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 3l7c_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 KSSKXXXXXX XRTNFDAFPD 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 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.776 55.803 -0.044 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.447 120.113 120.570 -0.017 0.000 2.493 13 I HA 0.518 4.681 4.170 -0.011 0.000 0.298 13 I C 0.987 177.105 176.117 0.002 0.000 0.998 13 I CA -0.138 61.160 61.300 -0.004 0.000 1.137 13 I CB 1.957 39.959 38.000 0.003 0.000 1.310 13 I HN 0.223 nan 8.210 nan 0.000 0.445 14 S N 3.993 119.699 115.700 0.010 0.000 2.365 14 S HA -0.175 4.288 4.470 -0.011 0.000 0.225 14 S C 1.743 176.353 174.600 0.018 0.000 1.039 14 S CA 2.195 60.403 58.200 0.013 0.000 1.033 14 S CB -0.605 62.608 63.200 0.021 0.000 0.887 14 S HN 0.831 nan 8.310 nan 0.000 0.447 15 V N -0.279 119.653 119.914 0.029 0.000 3.078 15 V HA 0.139 4.253 4.120 -0.011 0.000 0.265 15 V C 2.045 178.155 176.094 0.026 0.000 1.122 15 V CA 1.421 63.742 62.300 0.035 0.000 1.141 15 V CB -1.067 30.785 31.823 0.049 0.000 0.735 15 V HN 0.390 nan 8.190 nan 0.000 0.498 16 R N 1.070 121.576 120.500 0.011 0.000 2.310 16 R HA 0.437 4.770 4.340 -0.011 0.000 0.202 16 R C 1.162 177.454 176.300 -0.014 0.000 0.933 16 R CA 0.569 56.669 56.100 -0.001 0.000 1.054 16 R CB 0.107 30.403 30.300 -0.007 0.000 0.985 16 R HN 0.764 nan 8.270 nan 0.000 0.489 17 G N 0.612 109.405 108.800 -0.013 0.000 2.660 17 G HA2 -0.212 3.742 3.960 -0.011 0.000 0.247 17 G HA3 -0.212 3.742 3.960 -0.011 0.000 0.247 17 G C -1.059 173.827 174.900 -0.023 0.000 1.328 17 G CA -1.074 44.011 45.100 -0.025 0.000 0.884 17 G HN -0.037 nan 8.290 nan 0.000 0.531 18 L N 0.570 121.777 121.223 -0.026 0.000 2.350 18 L HA 0.673 5.007 4.340 -0.011 0.000 0.275 18 L C 1.243 178.101 176.870 -0.021 0.000 1.099 18 L CA 0.356 55.184 54.840 -0.021 0.000 0.808 18 L CB 1.045 43.093 42.059 -0.018 0.000 1.149 18 L HN 1.569 nan 8.230 nan 0.000 0.442 19 A N 2.627 125.437 122.820 -0.016 0.000 3.056 19 A HA 0.597 4.911 4.320 -0.011 0.000 0.328 19 A C 0.626 178.207 177.584 -0.004 0.000 1.233 19 A CA -0.342 51.688 52.037 -0.012 0.000 0.965 19 A CB -0.301 18.691 19.000 -0.013 0.000 1.123 19 A HN 0.770 nan 8.150 nan 0.000 0.502 20 G N -0.299 108.499 108.800 -0.003 0.000 2.442 20 G HA2 0.349 4.302 3.960 -0.011 0.000 0.249 20 G HA3 0.349 4.302 3.960 -0.011 0.000 0.249 20 G C 1.092 175.998 174.900 0.009 0.000 1.263 20 G CA 0.247 45.348 45.100 0.003 0.000 0.846 20 G HN 0.772 nan 8.290 nan 0.000 0.555 21 V N 1.690 121.610 119.914 0.010 0.000 2.324 21 V HA -0.208 3.906 4.120 -0.011 0.000 0.250 21 V C 2.591 178.696 176.094 0.018 0.000 1.060 21 V CA 2.996 65.304 62.300 0.013 0.000 1.042 21 V CB -0.369 31.461 31.823 0.011 0.000 0.650 21 V HN 0.921 nan 8.190 nan 0.000 0.450 22 E N -0.014 120.197 120.200 0.018 0.000 2.028 22 E HA -0.205 4.139 4.350 -0.011 0.000 0.191 22 E C 2.009 178.630 176.600 0.035 0.000 0.988 22 E CA 1.869 58.283 56.400 0.024 0.000 0.799 22 E CB -0.260 29.453 29.700 0.022 0.000 0.755 22 E HN 0.702 nan 8.360 nan 0.000 0.447 23 N N -0.661 118.059 118.700 0.034 0.000 2.043 23 N HA -0.164 4.569 4.740 -0.011 0.000 0.193 23 N C 1.668 177.205 175.510 0.046 0.000 1.037 23 N CA 1.516 54.592 53.050 0.044 0.000 0.851 23 N CB -0.254 38.246 38.487 0.022 0.000 1.027 23 N HN 0.002 nan 8.380 nan 0.000 0.422 24 V N 0.147 120.079 119.914 0.030 0.000 2.343 24 V HA -0.240 3.873 4.120 -0.011 0.000 0.247 24 V C 2.086 178.201 176.094 0.036 0.000 1.051 24 V CA 1.965 64.281 62.300 0.027 0.000 1.036 24 V CB -0.994 30.841 31.823 0.019 0.000 0.654 24 V HN 0.414 nan 8.190 nan 0.000 0.451 25 T N -0.481 114.094 114.554 0.035 0.000 2.684 25 T HA -0.248 4.096 4.350 -0.011 0.000 0.267 25 T C 1.931 176.663 174.700 0.054 0.000 1.036 25 T CA 1.930 64.052 62.100 0.036 0.000 1.148 25 T CB -0.221 68.664 68.868 0.029 0.000 0.863 25 T HN 0.514 nan 8.240 nan 0.000 0.436 26 E N 0.934 121.173 120.200 0.065 0.000 2.077 26 E HA -0.032 4.312 4.350 -0.011 0.000 0.193 26 E C 2.066 178.741 176.600 0.125 0.000 0.989 26 E CA 0.933 57.384 56.400 0.086 0.000 0.800 26 E CB -0.537 29.218 29.700 0.093 0.000 0.746 26 E HN 0.442 nan 8.360 nan 0.000 0.452 27 L N 0.230 121.534 121.223 0.134 0.000 2.012 27 L HA -0.218 4.116 4.340 -0.011 0.000 0.210 27 L C 2.511 179.486 176.870 0.175 0.000 1.073 27 L CA 1.664 56.605 54.840 0.168 0.000 0.748 27 L CB -0.374 41.753 42.059 0.113 0.000 0.891 27 L HN 0.088 nan 8.230 nan 0.000 0.431 28 K N -0.049 120.415 120.400 0.106 0.000 2.057 28 K HA -0.241 4.073 4.320 -0.011 0.000 0.207 28 K C 2.180 178.879 176.600 0.165 0.000 1.049 28 K CA 1.479 57.822 56.287 0.093 0.000 0.931 28 K CB -0.097 32.418 32.500 0.025 0.000 0.714 28 K HN 0.136 nan 8.250 nan 0.000 0.440 29 K N 0.849 121.326 120.400 0.128 0.000 2.026 29 K HA -0.128 4.186 4.320 -0.011 0.000 0.208 29 K C 1.791 178.475 176.600 0.141 0.000 1.048 29 K CA 1.498 57.853 56.287 0.114 0.000 0.929 29 K CB 0.064 32.609 32.500 0.074 0.000 0.713 29 K HN 0.086 nan 8.250 nan 0.000 0.439 30 N N 0.036 118.832 118.700 0.159 0.000 2.244 30 N HA -0.154 4.579 4.740 -0.011 0.000 0.183 30 N C 1.638 177.302 175.510 0.257 0.000 1.016 30 N CA 0.937 54.080 53.050 0.155 0.000 0.866 30 N CB -0.218 38.374 38.487 0.175 0.000 0.980 30 N HN 0.187 nan 8.380 nan 0.000 0.430 31 F N 2.468 122.520 119.950 0.170 0.000 2.102 31 F HA -0.115 4.405 4.527 -0.011 0.000 0.298 31 F C 1.995 177.904 175.800 0.182 0.000 1.105 31 F CA 1.276 59.392 58.000 0.193 0.000 1.239 31 F CB -0.111 38.974 39.000 0.141 0.000 0.991 31 F HN -0.032 nan 8.300 nan 0.000 0.474 32 N N 0.406 119.339 118.700 0.389 0.000 2.244 32 N HA -0.165 4.568 4.740 -0.011 0.000 0.183 32 N C 2.005 177.609 175.510 0.157 0.000 1.016 32 N CA 1.017 54.222 53.050 0.259 0.000 0.866 32 N CB -0.505 38.112 38.487 0.217 0.000 0.980 32 N HN 0.377 nan 8.380 nan 0.000 0.430 33 R N 0.189 120.772 120.500 0.138 0.000 2.073 33 R HA -0.089 4.245 4.340 -0.011 0.000 0.234 33 R C 1.758 178.140 176.300 0.136 0.000 1.134 33 R CA 1.440 57.638 56.100 0.165 0.000 0.952 33 R CB -0.190 30.118 30.300 0.013 0.000 0.850 33 R HN 0.371 nan 8.270 nan 0.000 0.433 34 H N -0.363 118.752 119.070 0.074 0.000 2.357 34 H HA -0.120 4.430 4.556 -0.011 0.000 0.301 34 H C 1.889 177.162 175.328 -0.091 0.000 1.082 34 H CA 1.447 57.474 56.048 -0.036 0.000 1.342 34 H CB 0.070 29.772 29.762 -0.101 0.000 1.389 34 H HN 0.120 nan 8.280 nan 0.000 0.511 35 L N -0.015 121.198 121.223 -0.018 0.000 2.042 35 L HA -0.207 4.127 4.340 -0.011 0.000 0.210 35 L C 2.209 179.065 176.870 -0.024 0.000 1.076 35 L CA 1.898 56.700 54.840 -0.062 0.000 0.749 35 L CB -0.450 41.583 42.059 -0.043 0.000 0.893 35 L HN 0.309 nan 8.230 nan 0.000 0.432 36 H N -1.765 117.246 119.070 -0.099 0.000 2.276 36 H HA -0.075 4.475 4.556 -0.011 0.000 0.307 36 H C 1.814 176.960 175.328 -0.303 0.000 1.061 36 H CA 2.335 58.234 56.048 -0.249 0.000 1.336 36 H CB -0.279 29.257 29.762 -0.376 0.000 1.396 36 H HN 0.297 nan 8.280 nan 0.000 0.503 37 F N -0.558 119.383 119.950 -0.014 0.000 2.270 37 F HA -0.014 4.506 4.527 -0.011 0.000 0.295 37 F C 2.583 178.312 175.800 -0.118 0.000 1.087 37 F CA 1.333 59.282 58.000 -0.085 0.000 1.365 37 F CB -0.284 38.698 39.000 -0.030 0.000 1.056 37 F HN 0.176 nan 8.300 nan 0.000 0.506 38 T N -0.024 114.569 114.554 0.063 0.000 2.901 38 T HA 0.069 4.413 4.350 -0.011 0.000 0.252 38 T C 1.951 176.567 174.700 -0.140 0.000 1.035 38 T CA 0.859 62.922 62.100 -0.062 0.000 1.142 38 T CB -0.265 68.527 68.868 -0.126 0.000 0.869 38 T HN 0.105 nan 8.240 nan 0.000 0.442 39 L N 1.132 122.274 121.223 -0.135 0.000 2.477 39 L HA 0.206 4.540 4.340 -0.011 0.000 0.220 39 L C 0.388 177.166 176.870 -0.153 0.000 1.106 39 L CA -0.078 54.671 54.840 -0.151 0.000 0.851 39 L CB -0.065 41.914 42.059 -0.133 0.000 0.994 39 L HN -0.020 nan 8.230 nan 0.000 0.462 40 V N 0.731 120.535 119.914 -0.183 0.000 5.949 40 V HA -0.273 3.841 4.120 -0.011 0.000 0.287 40 V C -0.107 175.873 176.094 -0.191 0.000 0.603 40 V CA 1.122 63.281 62.300 -0.235 0.000 0.608 40 V CB -2.177 29.532 31.823 -0.189 0.000 0.259 40 V HN 0.427 nan 8.190 nan 0.000 0.742 41 K N 0.900 121.196 120.400 -0.174 0.000 2.482 41 K HA 0.695 5.008 4.320 -0.011 0.000 0.257 41 K C -0.468 176.094 176.600 -0.064 0.000 0.969 41 K CA -0.555 55.664 56.287 -0.114 0.000 0.842 41 K CB 2.804 35.237 32.500 -0.111 0.000 1.359 41 K HN 0.491 nan 8.250 nan 0.000 0.441 42 D N -0.516 119.871 120.400 -0.023 0.000 2.449 42 D HA 0.304 4.937 4.640 -0.011 0.000 0.250 42 D C 0.736 177.071 176.300 0.057 0.000 1.050 42 D CA -0.679 53.345 54.000 0.040 0.000 1.024 42 D CB 0.863 41.691 40.800 0.046 0.000 1.218 42 D HN 0.101 nan 8.370 nan 0.000 0.566 43 R N 0.019 120.587 120.500 0.114 0.000 2.249 43 R HA -0.038 4.295 4.340 -0.011 0.000 0.230 43 R C 0.842 177.218 176.300 0.128 0.000 1.121 43 R CA 0.585 56.791 56.100 0.177 0.000 0.997 43 R CB -0.676 29.736 30.300 0.186 0.000 0.867 43 R HN 0.531 nan 8.270 nan 0.000 0.465 44 N N 0.170 118.913 118.700 0.071 0.000 2.354 44 N HA -0.081 4.652 4.740 -0.011 0.000 0.179 44 N C 1.676 177.205 175.510 0.032 0.000 1.021 44 N CA 1.323 54.404 53.050 0.051 0.000 0.887 44 N CB 0.220 38.727 38.487 0.033 0.000 0.974 44 N HN 0.225 nan 8.380 nan 0.000 0.437 45 V N -2.587 117.332 119.914 0.009 0.000 3.605 45 V HA 0.503 4.617 4.120 -0.011 0.000 0.284 45 V C 0.910 176.972 176.094 -0.053 0.000 1.386 45 V CA -0.467 61.824 62.300 -0.016 0.000 1.053 45 V CB -0.419 31.389 31.823 -0.025 0.000 0.857 45 V HN 0.056 nan 8.190 nan 0.000 0.436 46 A N 2.302 125.067 122.820 -0.092 0.000 2.477 46 A HA 0.558 4.871 4.320 -0.011 0.000 0.246 46 A C 0.749 178.169 177.584 -0.274 0.000 1.078 46 A CA 0.772 52.646 52.037 -0.271 0.000 0.770 46 A CB -0.169 18.523 19.000 -0.513 0.000 1.011 46 A HN 0.800 nan 8.150 nan 0.000 0.494 47 T N 0.153 114.548 114.554 -0.266 0.000 2.936 47 T HA 0.564 4.907 4.350 -0.011 0.000 0.282 47 T C -2.133 172.501 174.700 -0.109 0.000 1.003 47 T CA -1.769 60.263 62.100 -0.113 0.000 1.005 47 T CB 1.176 70.023 68.868 -0.035 0.000 1.097 47 T HN 0.260 nan 8.240 nan 0.000 0.532 48 P HA -0.095 nan 4.420 nan 0.000 0.217 48 P C 1.573 178.996 177.300 0.205 0.000 1.148 48 P CA 0.909 64.165 63.100 0.259 0.000 0.828 48 P CB 0.060 31.871 31.700 0.185 0.000 0.783 49 R N 0.004 120.570 120.500 0.110 0.000 2.092 49 R HA -0.132 4.202 4.340 -0.011 0.000 0.231 49 R C 1.663 178.140 176.300 0.296 0.000 1.119 49 R CA 1.701 57.904 56.100 0.171 0.000 0.970 49 R CB -0.643 29.695 30.300 0.063 0.000 0.864 49 R HN 0.092 nan 8.270 nan 0.000 0.440 50 D N -0.309 120.147 120.400 0.093 0.000 2.117 50 D HA -0.193 4.441 4.640 -0.011 0.000 0.197 50 D C 1.722 178.051 176.300 0.049 0.000 0.987 50 D CA 1.341 55.349 54.000 0.014 0.000 0.829 50 D CB -0.297 40.369 40.800 -0.224 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N 0.133 120.546 120.300 0.188 0.000 2.200 51 Y HA -0.203 4.341 4.550 -0.011 0.000 0.290 51 Y C 2.332 178.377 175.900 0.241 0.000 1.137 51 Y CA 0.333 58.588 58.100 0.258 0.000 1.163 51 Y CB -1.183 37.484 38.460 0.345 0.000 0.988 51 Y HN 0.077 nan 8.280 nan 0.000 0.518 52 Y N -0.329 120.122 120.300 0.252 0.000 2.081 52 Y HA -0.326 4.218 4.550 -0.011 0.000 0.280 52 Y C 2.036 177.911 175.900 -0.041 0.000 1.163 52 Y CA 1.472 59.611 58.100 0.066 0.000 1.135 52 Y CB -1.195 37.206 38.460 -0.098 0.000 0.970 52 Y HN 0.052 nan 8.280 nan 0.000 0.498 53 F N 0.215 119.951 119.950 -0.356 0.000 2.171 53 F HA -0.175 4.346 4.527 -0.010 0.000 0.300 53 F C 2.649 178.283 175.800 -0.277 0.000 1.090 53 F CA 1.377 59.109 58.000 -0.448 0.000 1.293 53 F CB -0.846 38.078 39.000 -0.127 0.000 1.013 53 F HN 0.222 nan 8.300 nan 0.000 0.486 54 A N -0.239 122.530 122.820 -0.086 0.000 1.902 54 A HA -0.178 4.135 4.320 -0.011 0.000 0.217 54 A C 2.056 179.508 177.584 -0.220 0.000 1.181 54 A CA 1.544 53.397 52.037 -0.307 0.000 0.623 54 A CB -0.985 17.490 19.000 -0.874 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -0.271 120.942 121.223 -0.016 0.000 2.056 55 L HA -0.010 4.323 4.340 -0.011 0.000 0.207 55 L C 2.681 179.527 176.870 -0.040 0.000 1.078 55 L CA 2.117 57.068 54.840 0.185 0.000 0.749 55 L CB -0.924 41.313 42.059 0.297 0.000 0.901 55 L HN 0.342 nan 8.230 nan 0.000 0.433 56 A N -1.156 121.456 122.820 -0.347 0.000 1.883 56 A HA -0.289 4.024 4.320 -0.011 0.000 0.217 56 A C 2.144 179.370 177.584 -0.596 0.000 1.186 56 A CA 2.049 53.755 52.037 -0.551 0.000 0.624 56 A CB -1.138 17.199 19.000 -1.105 0.000 0.822 56 A HN 0.675 nan 8.150 nan 0.000 0.444 57 H N -0.785 117.973 119.070 -0.519 0.000 2.387 57 H HA -0.072 4.477 4.556 -0.011 0.000 0.299 57 H C 2.348 177.423 175.328 -0.421 0.000 1.090 57 H CA 1.989 57.665 56.048 -0.620 0.000 1.332 57 H CB -0.218 28.919 29.762 -1.042 0.000 1.386 57 H HN 0.466 nan 8.280 nan 0.000 0.516 58 T N -0.261 114.254 114.554 -0.066 0.000 2.708 58 T HA -0.135 4.208 4.350 -0.011 0.000 0.266 58 T C 2.262 177.127 174.700 0.275 0.000 1.037 58 T CA 1.377 63.614 62.100 0.228 0.000 1.146 58 T CB -0.374 68.686 68.868 0.319 0.000 0.865 58 T HN 0.100 nan 8.240 nan 0.000 0.435 59 V N 1.578 121.612 119.914 0.199 0.000 2.358 59 V HA -0.117 3.996 4.120 -0.011 0.000 0.246 59 V C 2.614 178.881 176.094 0.287 0.000 1.047 59 V CA 1.552 64.000 62.300 0.248 0.000 1.035 59 V CB -0.646 31.317 31.823 0.233 0.000 0.658 59 V HN 0.373 nan 8.190 nan 0.000 0.452 60 R N 0.297 120.920 120.500 0.206 0.000 2.091 60 R HA -0.233 4.101 4.340 -0.011 0.000 0.238 60 R C 1.976 178.386 176.300 0.184 0.000 1.136 60 R CA 2.180 58.401 56.100 0.201 0.000 0.959 60 R CB -0.482 29.791 30.300 -0.045 0.000 0.856 60 R HN 0.472 nan 8.270 nan 0.000 0.437 61 D N -0.101 120.399 120.400 0.167 0.000 2.158 61 D HA -0.169 4.465 4.640 -0.011 0.000 0.197 61 D C 1.698 178.030 176.300 0.054 0.000 0.995 61 D CA 1.461 55.533 54.000 0.122 0.000 0.846 61 D CB -0.402 40.471 40.800 0.121 0.000 0.941 61 D HN 0.493 nan 8.370 nan 0.000 0.456 62 H N -0.465 118.668 119.070 0.105 0.000 2.491 62 H HA 0.084 4.634 4.556 -0.010 0.000 0.290 62 H C 2.062 177.431 175.328 0.069 0.000 1.050 62 H CA 0.460 56.554 56.048 0.077 0.000 1.309 62 H CB -0.015 29.784 29.762 0.062 0.000 1.392 62 H HN 0.116 nan 8.280 nan 0.000 0.554 63 L N -0.770 120.565 121.223 0.186 0.000 2.179 63 L HA -0.100 4.233 4.340 -0.011 0.000 0.208 63 L C 2.027 179.004 176.870 0.180 0.000 1.096 63 L CA 0.250 55.164 54.840 0.124 0.000 0.779 63 L CB -0.053 42.046 42.059 0.066 0.000 0.922 63 L HN 0.171 nan 8.230 nan 0.000 0.443 64 V N 0.194 120.230 119.914 0.204 0.000 2.261 64 V HA -0.245 3.869 4.120 -0.011 0.000 0.246 64 V C 2.629 178.833 176.094 0.184 0.000 1.047 64 V CA 2.169 64.620 62.300 0.251 0.000 1.015 64 V CB -1.282 30.648 31.823 0.177 0.000 0.642 64 V HN 0.564 nan 8.190 nan 0.000 0.446 65 G N -0.288 108.573 108.800 0.102 0.000 2.446 65 G HA2 -0.271 3.682 3.960 -0.011 0.000 0.217 65 G HA3 -0.271 3.682 3.960 -0.011 0.000 0.217 65 G C 1.741 176.683 174.900 0.070 0.000 1.168 65 G CA 0.943 46.079 45.100 0.060 0.000 0.771 65 G HN 0.461 nan 8.290 nan 0.000 0.551 66 R N -1.485 119.066 120.500 0.087 0.000 2.092 66 R HA -0.060 4.273 4.340 -0.011 0.000 0.231 66 R C 2.258 178.638 176.300 0.132 0.000 1.119 66 R CA 1.101 57.242 56.100 0.068 0.000 0.970 66 R CB -0.349 29.976 30.300 0.043 0.000 0.864 66 R HN 0.479 nan 8.270 nan 0.000 0.440 67 W N 1.554 122.834 121.300 -0.034 0.000 2.355 67 W HA -0.064 4.590 4.660 -0.010 0.000 0.309 67 W C 1.695 178.187 176.519 -0.046 0.000 1.206 67 W CA 0.893 58.215 57.345 -0.037 0.000 1.284 67 W CB -0.590 28.867 29.460 -0.004 0.000 1.145 67 W HN -0.044 nan 8.180 nan 0.000 0.502 68 I N 0.959 121.579 120.570 0.083 0.000 2.179 68 I HA -0.344 3.820 4.170 -0.011 0.000 0.242 68 I C 2.687 178.782 176.117 -0.038 0.000 1.088 68 I CA 2.117 63.383 61.300 -0.056 0.000 1.357 68 I CB -0.580 37.393 38.000 -0.046 0.000 1.051 68 I HN -0.014 nan 8.210 nan 0.000 0.409 69 R N 0.133 120.628 120.500 -0.010 0.000 2.153 69 R HA -0.022 4.311 4.340 -0.011 0.000 0.218 69 R C 1.903 178.165 176.300 -0.063 0.000 1.072 69 R CA 1.353 57.437 56.100 -0.025 0.000 0.990 69 R CB -1.054 29.235 30.300 -0.019 0.000 0.889 69 R HN 0.149 nan 8.270 nan 0.000 0.452 70 T N 1.658 116.153 114.554 -0.098 0.000 2.684 70 T HA -0.121 4.223 4.350 -0.011 0.000 0.267 70 T C 1.777 176.222 174.700 -0.425 0.000 1.036 70 T CA 1.451 63.386 62.100 -0.276 0.000 1.148 70 T CB -0.132 68.608 68.868 -0.214 0.000 0.863 70 T HN 0.260 nan 8.240 nan 0.000 0.436 71 Q N 0.741 120.427 119.800 -0.189 0.000 2.167 71 Q HA -0.069 4.264 4.340 -0.011 0.000 0.202 71 Q C 2.352 178.357 176.000 0.010 0.000 0.970 71 Q CA 1.199 56.959 55.803 -0.073 0.000 0.855 71 Q CB -0.493 28.231 28.738 -0.022 0.000 0.911 71 Q HN 0.485 nan 8.270 nan 0.000 0.438 72 Q N 0.231 120.027 119.800 -0.007 0.000 2.084 72 Q HA -0.193 4.141 4.340 -0.011 0.000 0.202 72 Q C 1.923 177.997 176.000 0.125 0.000 0.978 72 Q CA 1.926 57.764 55.803 0.059 0.000 0.844 72 Q CB -0.373 28.382 28.738 0.028 0.000 0.898 72 Q HN 0.559 nan 8.270 nan 0.000 0.426 73 H N -1.070 117.968 119.070 -0.053 0.000 2.319 73 H HA -0.183 4.366 4.556 -0.011 0.000 0.299 73 H C 1.202 176.588 175.328 0.098 0.000 1.092 73 H CA 2.278 58.307 56.048 -0.032 0.000 1.302 73 H CB -0.289 29.389 29.762 -0.141 0.000 1.373 73 H HN 0.359 nan 8.280 nan 0.000 0.497 74 Y N -1.042 119.292 120.300 0.056 0.000 2.224 74 Y HA -0.186 4.357 4.550 -0.011 0.000 0.289 74 Y C 2.452 178.371 175.900 0.032 0.000 1.146 74 Y CA 1.045 59.148 58.100 0.006 0.000 1.182 74 Y CB -1.376 37.143 38.460 0.099 0.000 0.983 74 Y HN 0.361 nan 8.280 nan 0.000 0.524 75 Y N 1.315 121.691 120.300 0.127 0.000 2.181 75 Y HA -0.189 4.354 4.550 -0.011 0.000 0.288 75 Y C 2.132 178.037 175.900 0.008 0.000 1.146 75 Y CA 1.816 59.952 58.100 0.061 0.000 1.164 75 Y CB -0.060 38.427 38.460 0.046 0.000 0.982 75 Y HN 0.065 nan 8.280 nan 0.000 0.515 76 E N 0.259 120.474 120.200 0.026 0.000 2.072 76 E HA -0.160 4.184 4.350 -0.011 0.000 0.190 76 E C 2.022 178.536 176.600 -0.144 0.000 0.982 76 E CA 1.168 57.524 56.400 -0.073 0.000 0.803 76 E CB -0.223 29.486 29.700 0.014 0.000 0.755 76 E HN 0.511 nan 8.360 nan 0.000 0.453 77 K N 0.585 120.878 120.400 -0.177 0.000 2.228 77 K HA -0.081 4.233 4.320 -0.011 0.000 0.202 77 K C 0.043 176.571 176.600 -0.120 0.000 1.051 77 K CA 0.495 56.677 56.287 -0.175 0.000 0.960 77 K CB 0.019 32.344 32.500 -0.293 0.000 0.743 77 K HN -0.023 nan 8.250 nan 0.000 0.458 78 D N 0.829 121.165 120.400 -0.106 0.000 2.737 78 D HA -0.096 4.537 4.640 -0.011 0.000 0.238 78 D C -2.487 173.775 176.300 -0.063 0.000 1.157 78 D CA 0.106 54.052 54.000 -0.091 0.000 0.694 78 D CB -0.138 40.578 40.800 -0.140 0.000 1.021 78 D HN 0.166 nan 8.370 nan 0.000 0.420 79 P HA 0.128 nan 4.420 nan 0.000 0.276 79 P C -0.154 177.100 177.300 -0.077 0.000 1.261 79 P CA -0.628 62.431 63.100 -0.069 0.000 0.800 79 P CB 0.626 32.272 31.700 -0.091 0.000 1.066 80 K N 1.294 121.652 120.400 -0.069 0.000 2.484 80 K HA 0.015 4.329 4.320 -0.011 0.000 0.280 80 K C 0.080 176.588 176.600 -0.152 0.000 1.013 80 K CA -0.061 56.177 56.287 -0.082 0.000 1.029 80 K CB 0.259 32.727 32.500 -0.053 0.000 0.902 80 K HN 0.271 nan 8.250 nan 0.000 0.481 81 R N 4.163 124.553 120.500 -0.183 0.000 2.428 81 R HA 0.370 4.703 4.340 -0.011 0.000 0.294 81 R C -0.146 175.856 176.300 -0.497 0.000 1.000 81 R CA -0.776 55.127 56.100 -0.329 0.000 0.960 81 R CB 0.709 30.807 30.300 -0.336 0.000 1.076 81 R HN 0.535 nan 8.270 nan 0.000 0.475 82 I N 3.671 123.895 120.570 -0.576 0.000 2.354 82 I HA 0.279 4.443 4.170 -0.011 0.000 0.292 82 I C -0.518 175.273 176.117 -0.543 0.000 0.989 82 I CA -0.979 59.945 61.300 -0.627 0.000 1.188 82 I CB 0.737 38.264 38.000 -0.788 0.000 1.342 82 I HN 0.410 nan 8.210 nan 0.000 0.457 83 Y N 5.820 126.083 120.300 -0.062 0.000 2.345 83 Y HA 0.306 4.850 4.550 -0.010 0.000 0.331 83 Y C -0.358 175.648 175.900 0.177 0.000 0.959 83 Y CA -0.759 57.430 58.100 0.149 0.000 1.204 83 Y CB 1.230 39.744 38.460 0.090 0.000 1.135 83 Y HN 0.399 nan 8.280 nan 0.000 0.477 84 Y N 4.530 125.020 120.300 0.316 0.000 2.434 84 Y HA 0.510 5.054 4.550 -0.010 0.000 0.341 84 Y C -1.291 174.877 175.900 0.446 0.000 0.965 84 Y CA -0.947 57.343 58.100 0.318 0.000 1.205 84 Y CB 0.352 38.999 38.460 0.311 0.000 1.121 84 Y HN 0.527 nan 8.280 nan 0.000 0.507 85 L N 5.009 126.283 121.223 0.086 0.000 2.264 85 L HA 0.506 4.839 4.340 -0.011 0.000 0.289 85 L C -0.237 176.664 176.870 0.051 0.000 1.044 85 L CA 0.125 55.077 54.840 0.187 0.000 0.807 85 L CB 1.401 43.531 42.059 0.119 0.000 1.192 85 L HN 0.567 nan 8.230 nan 0.000 0.425 86 S N 2.625 118.442 115.700 0.195 0.000 2.536 86 S HA 0.469 4.932 4.470 -0.011 0.000 0.271 86 S C 0.364 175.067 174.600 0.172 0.000 1.134 86 S CA -0.626 57.588 58.200 0.023 0.000 0.897 86 S CB 1.037 64.015 63.200 -0.369 0.000 1.094 86 S HN 0.487 nan 8.310 nan 0.000 0.473 87 L N 2.420 123.775 121.223 0.220 0.000 2.554 87 L HA 0.352 4.686 4.340 -0.011 0.000 0.226 87 L C 0.244 177.313 176.870 0.332 0.000 1.137 87 L CA 1.221 56.255 54.840 0.323 0.000 0.863 87 L CB -0.814 41.449 42.059 0.341 0.000 0.985 87 L HN 0.700 nan 8.230 nan 0.000 0.451 88 E N -0.870 119.397 120.200 0.111 0.000 2.275 88 E HA 0.382 4.725 4.350 -0.011 0.000 0.270 88 E C -1.499 174.979 176.600 -0.205 0.000 0.882 88 E CA -0.377 56.066 56.400 0.072 0.000 0.758 88 E CB 2.013 31.726 29.700 0.021 0.000 1.195 88 E HN -0.151 nan 8.360 nan 0.000 0.419 89 F N 2.240 122.298 119.950 0.181 0.000 2.610 89 F HA 0.183 4.704 4.527 -0.011 0.000 0.355 89 F C -0.788 175.100 175.800 0.146 0.000 1.140 89 F CA -0.782 57.311 58.000 0.156 0.000 1.037 89 F CB 0.935 40.019 39.000 0.139 0.000 1.287 89 F HN 0.489 nan 8.300 nan 0.000 0.457 90 Y N 5.259 125.630 120.300 0.118 0.000 2.632 90 Y HA 0.224 4.768 4.550 -0.010 0.000 0.336 90 Y C 0.873 176.790 175.900 0.027 0.000 1.237 90 Y CA -0.986 57.135 58.100 0.035 0.000 1.595 90 Y CB 0.350 38.814 38.460 0.008 0.000 1.508 90 Y HN 0.553 nan 8.280 nan 0.000 0.480 91 M N 1.355 121.062 119.600 0.178 0.000 2.388 91 M HA 0.132 4.605 4.480 -0.011 0.000 0.265 91 M C 1.561 177.820 176.300 -0.069 0.000 1.088 91 M CA 1.006 56.329 55.300 0.038 0.000 1.134 91 M CB -1.097 31.508 32.600 0.008 0.000 1.384 91 M HN 0.686 nan 8.290 nan 0.000 0.447 92 G N 1.393 110.153 108.800 -0.067 0.000 2.569 92 G HA2 -0.282 3.672 3.960 -0.011 0.000 0.259 92 G HA3 -0.282 3.672 3.960 -0.011 0.000 0.259 92 G C -0.194 174.647 174.900 -0.099 0.000 1.263 92 G CA -0.258 44.770 45.100 -0.120 0.000 0.928 92 G HN 0.439 nan 8.290 nan 0.000 0.572 93 R N -0.754 119.674 120.500 -0.121 0.000 2.615 93 R HA 0.552 4.886 4.340 -0.011 0.000 0.270 93 R C 1.125 177.304 176.300 -0.201 0.000 1.081 93 R CA 0.357 56.397 56.100 -0.100 0.000 1.154 93 R CB 0.630 30.880 30.300 -0.083 0.000 1.063 93 R HN 0.525 nan 8.270 nan 0.000 0.519 94 T N 1.054 115.443 114.554 -0.275 0.000 2.978 94 T HA -0.004 4.339 4.350 -0.011 0.000 0.248 94 T C 1.419 175.751 174.700 -0.613 0.000 1.018 94 T CA -0.142 61.582 62.100 -0.627 0.000 1.026 94 T CB 0.142 68.246 68.868 -1.274 0.000 1.032 94 T HN 0.312 nan 8.240 nan 0.000 0.485 95 L N 1.928 123.020 121.223 -0.218 0.000 1.970 95 L HA -0.020 4.314 4.340 -0.011 0.000 0.212 95 L C 2.452 179.286 176.870 -0.060 0.000 1.071 95 L CA 2.010 56.866 54.840 0.026 0.000 0.751 95 L CB -0.659 41.610 42.059 0.350 0.000 0.889 95 L HN 0.174 nan 8.230 nan 0.000 0.432 96 Q N -0.800 118.962 119.800 -0.063 0.000 2.119 96 Q HA -0.242 4.091 4.340 -0.011 0.000 0.201 96 Q C 2.218 178.144 176.000 -0.124 0.000 0.972 96 Q CA 1.727 57.486 55.803 -0.073 0.000 0.847 96 Q CB -0.287 28.407 28.738 -0.074 0.000 0.903 96 Q HN 0.695 nan 8.270 nan 0.000 0.433 97 N N -0.937 117.650 118.700 -0.189 0.000 2.149 97 N HA -0.149 4.584 4.740 -0.011 0.000 0.188 97 N C 1.325 176.725 175.510 -0.183 0.000 1.019 97 N CA 1.790 54.718 53.050 -0.203 0.000 0.857 97 N CB 0.079 38.411 38.487 -0.258 0.000 0.997 97 N HN 0.220 nan 8.380 nan 0.000 0.426 98 T N 1.210 115.623 114.554 -0.235 0.000 2.777 98 T HA -0.035 4.309 4.350 -0.011 0.000 0.266 98 T C 2.064 176.699 174.700 -0.109 0.000 1.040 98 T CA 0.967 62.946 62.100 -0.201 0.000 1.141 98 T CB -0.044 68.659 68.868 -0.276 0.000 0.868 98 T HN 0.262 nan 8.240 nan 0.000 0.444 99 M N 0.637 120.188 119.600 -0.081 0.000 2.117 99 M HA -0.089 4.385 4.480 -0.011 0.000 0.262 99 M C 2.482 178.746 176.300 -0.060 0.000 1.065 99 M CA 1.250 56.516 55.300 -0.058 0.000 1.114 99 M CB -0.701 31.880 32.600 -0.032 0.000 1.361 99 M HN 0.097 nan 8.290 nan 0.000 0.408 100 V N 1.082 120.966 119.914 -0.049 0.000 2.255 100 V HA -0.293 3.820 4.120 -0.011 0.000 0.247 100 V C 1.823 177.922 176.094 0.009 0.000 1.051 100 V CA 2.079 64.377 62.300 -0.003 0.000 1.018 100 V CB -0.923 30.902 31.823 0.003 0.000 0.641 100 V HN 0.478 nan 8.190 nan 0.000 0.445 101 N N -0.390 118.302 118.700 -0.015 0.000 2.396 101 N HA -0.045 4.688 4.740 -0.011 0.000 0.180 101 N C 1.109 176.520 175.510 -0.165 0.000 1.028 101 N CA 0.733 53.755 53.050 -0.046 0.000 0.893 101 N CB -0.140 38.332 38.487 -0.025 0.000 0.967 101 N HN 0.284 nan 8.380 nan 0.000 0.440 102 L N -0.216 120.929 121.223 -0.130 0.000 2.640 102 L HA 0.395 4.729 4.340 -0.011 0.000 0.230 102 L C 0.582 177.369 176.870 -0.139 0.000 1.123 102 L CA -0.230 54.534 54.840 -0.127 0.000 0.900 102 L CB -0.849 41.158 42.059 -0.086 0.000 1.146 102 L HN 0.106 nan 8.230 nan 0.000 0.484 103 A N -0.396 122.337 122.820 -0.145 0.000 2.846 103 A HA -0.220 4.094 4.320 -0.011 0.000 0.287 103 A C 1.111 178.639 177.584 -0.095 0.000 1.469 103 A CA 1.093 53.058 52.037 -0.120 0.000 0.757 103 A CB -2.035 16.881 19.000 -0.140 0.000 1.033 103 A HN 0.321 nan 8.150 nan 0.000 0.516 104 L N -1.512 119.654 121.223 -0.094 0.000 2.766 104 L HA 0.161 4.494 4.340 -0.011 0.000 0.242 104 L C 1.926 178.758 176.870 -0.064 0.000 1.136 104 L CA 0.703 55.483 54.840 -0.101 0.000 0.933 104 L CB 0.099 42.064 42.059 -0.156 0.000 1.241 104 L HN 0.657 nan 8.230 nan 0.000 0.522 105 E N 0.819 120.991 120.200 -0.046 0.000 2.038 105 E HA -0.237 4.106 4.350 -0.011 0.000 0.195 105 E C 1.687 178.274 176.600 -0.023 0.000 1.000 105 E CA 1.491 57.874 56.400 -0.028 0.000 0.803 105 E CB 0.256 29.942 29.700 -0.022 0.000 0.750 105 E HN 0.396 nan 8.360 nan 0.000 0.448 106 N N 0.086 118.771 118.700 -0.027 0.000 2.120 106 N HA -0.129 4.604 4.740 -0.011 0.000 0.188 106 N C 1.574 177.070 175.510 -0.022 0.000 1.024 106 N CA 1.261 54.296 53.050 -0.025 0.000 0.852 106 N CB -0.422 38.050 38.487 -0.025 0.000 1.003 106 N HN 0.228 nan 8.380 nan 0.000 0.424 107 A N 0.390 123.194 122.820 -0.026 0.000 1.877 107 A HA -0.152 4.162 4.320 -0.011 0.000 0.216 107 A C 2.659 180.236 177.584 -0.013 0.000 1.186 107 A CA 1.395 53.419 52.037 -0.021 0.000 0.620 107 A CB -1.022 17.958 19.000 -0.034 0.000 0.822 107 A HN 0.445 nan 8.150 nan 0.000 0.443 108 C N -0.889 118.401 119.300 -0.016 0.000 2.440 108 C HA -0.058 4.396 4.460 -0.011 0.000 0.278 108 C C 2.467 177.458 174.990 0.002 0.000 1.295 108 C CA 1.098 60.117 59.018 0.001 0.000 1.738 108 C CB -1.097 26.652 27.740 0.015 0.000 1.987 108 C HN 0.713 nan 8.230 nan 0.000 0.492 109 D N 0.760 121.161 120.400 0.002 0.000 2.097 109 D HA -0.144 4.490 4.640 -0.011 0.000 0.195 109 D C 2.115 178.430 176.300 0.026 0.000 0.989 109 D CA 1.511 55.515 54.000 0.007 0.000 0.827 109 D CB -0.240 40.553 40.800 -0.011 0.000 0.966 109 D HN 0.448 nan 8.370 nan 0.000 0.456 110 E N 0.249 120.459 120.200 0.017 0.000 2.031 110 E HA -0.073 4.271 4.350 -0.011 0.000 0.193 110 E C 1.918 178.557 176.600 0.066 0.000 0.994 110 E CA 1.673 58.105 56.400 0.052 0.000 0.800 110 E CB -0.663 29.051 29.700 0.023 0.000 0.752 110 E HN 0.220 nan 8.360 nan 0.000 0.447 111 A N -0.124 122.702 122.820 0.009 0.000 1.892 111 A HA -0.245 4.069 4.320 -0.011 0.000 0.218 111 A C 2.506 180.019 177.584 -0.119 0.000 1.188 111 A CA 3.096 55.111 52.037 -0.037 0.000 0.631 111 A CB -1.530 17.452 19.000 -0.031 0.000 0.822 111 A HN 0.533 nan 8.150 nan 0.000 0.447 112 T N -3.741 110.737 114.554 -0.127 0.000 2.821 112 T HA -0.205 4.139 4.350 -0.011 0.000 0.267 112 T C 1.850 176.467 174.700 -0.138 0.000 1.046 112 T CA 1.494 63.459 62.100 -0.224 0.000 1.139 112 T CB -0.603 68.172 68.868 -0.154 0.000 0.871 112 T HN 0.471 nan 8.240 nan 0.000 0.454 113 Y N 2.269 122.491 120.300 -0.131 0.000 2.165 113 Y HA -0.122 4.422 4.550 -0.010 0.000 0.286 113 Y C 2.599 178.438 175.900 -0.100 0.000 1.155 113 Y CA 1.595 59.636 58.100 -0.098 0.000 1.164 113 Y CB -0.525 37.897 38.460 -0.064 0.000 0.978 113 Y HN 0.257 nan 8.280 nan 0.000 0.513 114 Q N -0.951 118.748 119.800 -0.169 0.000 2.291 114 Q HA -0.112 4.222 4.340 -0.011 0.000 0.205 114 Q C 1.472 177.328 176.000 -0.241 0.000 0.970 114 Q CA 0.799 56.469 55.803 -0.221 0.000 0.876 114 Q CB -0.043 28.652 28.738 -0.072 0.000 0.935 114 Q HN 0.354 nan 8.270 nan 0.000 0.455 115 L N -0.904 120.165 121.223 -0.258 0.000 2.591 115 L HA 0.142 4.475 4.340 -0.011 0.000 0.228 115 L C 1.145 177.847 176.870 -0.279 0.000 1.133 115 L CA 1.215 55.893 54.840 -0.269 0.000 0.880 115 L CB -0.385 41.438 42.059 -0.393 0.000 1.033 115 L HN 0.321 nan 8.230 nan 0.000 0.450 116 G N -0.260 108.355 108.800 -0.309 0.000 2.149 116 G HA2 -0.242 3.711 3.960 -0.011 0.000 0.235 116 G HA3 -0.242 3.711 3.960 -0.011 0.000 0.235 116 G C 0.065 174.829 174.900 -0.227 0.000 1.018 116 G CA 0.237 45.174 45.100 -0.273 0.000 0.728 116 G HN 0.284 nan 8.290 nan 0.000 0.508 117 L N -0.190 120.896 121.223 -0.228 0.000 2.354 117 L HA 0.625 4.959 4.340 -0.011 0.000 0.269 117 L C -0.555 176.284 176.870 -0.051 0.000 1.005 117 L CA -1.194 53.543 54.840 -0.172 0.000 0.819 117 L CB 1.897 43.790 42.059 -0.277 0.000 1.311 117 L HN 0.082 nan 8.230 nan 0.000 0.423 118 D N 1.937 122.337 120.400 -0.001 0.000 2.359 118 D HA 0.191 4.824 4.640 -0.011 0.000 0.230 118 D C 0.624 176.954 176.300 0.049 0.000 1.118 118 D CA -0.221 53.806 54.000 0.045 0.000 0.844 118 D CB 1.519 42.350 40.800 0.053 0.000 1.059 118 D HN 0.502 nan 8.370 nan 0.000 0.493 119 M N 3.086 122.716 119.600 0.050 0.000 2.159 119 M HA -0.141 4.332 4.480 -0.011 0.000 0.263 119 M C 1.323 177.665 176.300 0.070 0.000 1.063 119 M CA 1.530 56.867 55.300 0.063 0.000 1.110 119 M CB 0.194 32.823 32.600 0.050 0.000 1.374 119 M HN 0.440 nan 8.290 nan 0.000 0.411 120 E N -0.279 119.954 120.200 0.055 0.000 2.153 120 E HA -0.251 4.093 4.350 -0.011 0.000 0.194 120 E C 1.835 178.469 176.600 0.057 0.000 0.988 120 E CA 1.291 57.721 56.400 0.050 0.000 0.811 120 E CB -0.167 29.559 29.700 0.043 0.000 0.746 120 E HN 0.638 nan 8.360 nan 0.000 0.466 121 E N 0.886 121.124 120.200 0.064 0.000 2.106 121 E HA -0.162 4.182 4.350 -0.011 0.000 0.192 121 E C 2.141 178.785 176.600 0.074 0.000 0.984 121 E CA 0.514 56.954 56.400 0.065 0.000 0.806 121 E CB 0.087 29.827 29.700 0.067 0.000 0.750 121 E HN 0.224 nan 8.360 nan 0.000 0.458 122 L N 0.575 121.862 121.223 0.107 0.000 2.093 122 L HA -0.144 4.190 4.340 -0.011 0.000 0.208 122 L C 2.372 179.308 176.870 0.110 0.000 1.085 122 L CA 1.188 56.125 54.840 0.161 0.000 0.755 122 L CB -0.416 41.788 42.059 0.242 0.000 0.904 122 L HN 0.141 nan 8.230 nan 0.000 0.435 123 E N -0.041 120.213 120.200 0.089 0.000 2.160 123 E HA -0.209 4.134 4.350 -0.011 0.000 0.195 123 E C 1.945 178.511 176.600 -0.057 0.000 0.991 123 E CA 0.834 57.258 56.400 0.040 0.000 0.810 123 E CB 0.053 29.778 29.700 0.042 0.000 0.742 123 E HN 0.362 nan 8.360 nan 0.000 0.466 124 E N 0.171 120.351 120.200 -0.033 0.000 2.418 124 E HA -0.106 4.238 4.350 -0.011 0.000 0.197 124 E C 1.828 178.364 176.600 -0.107 0.000 1.026 124 E CA 0.527 56.906 56.400 -0.035 0.000 0.862 124 E CB 0.055 29.771 29.700 0.026 0.000 0.799 124 E HN 0.401 nan 8.360 nan 0.000 0.518 125 I N 0.804 121.243 120.570 -0.217 0.000 2.617 125 I HA -0.102 4.061 4.170 -0.011 0.000 0.256 125 I C 1.391 177.194 176.117 -0.523 0.000 1.167 125 I CA 0.250 61.349 61.300 -0.334 0.000 1.469 125 I CB 0.109 37.916 38.000 -0.323 0.000 1.098 125 I HN -0.031 nan 8.210 nan 0.000 0.436 126 E N 2.707 122.475 120.200 -0.720 0.000 2.414 126 E HA -0.043 4.300 4.350 -0.011 0.000 0.263 126 E C -0.248 176.256 176.600 -0.160 0.000 1.000 126 E CA -0.188 55.860 56.400 -0.587 0.000 0.914 126 E CB 0.600 30.082 29.700 -0.363 0.000 0.948 126 E HN 0.099 nan 8.360 nan 0.000 0.444 127 E N 3.454 123.657 120.200 0.004 0.000 2.354 127 E HA 0.058 4.401 4.350 -0.011 0.000 0.269 127 E C -0.789 175.907 176.600 0.160 0.000 1.036 127 E CA -0.252 56.232 56.400 0.141 0.000 0.876 127 E CB 0.728 30.605 29.700 0.295 0.000 1.009 127 E HN 0.486 nan 8.360 nan 0.000 0.416 128 D N 0.895 121.358 120.400 0.106 0.000 2.455 128 D HA 0.119 4.752 4.640 -0.011 0.000 0.241 128 D C -0.281 176.037 176.300 0.030 0.000 1.138 128 D CA 0.236 54.266 54.000 0.050 0.000 0.877 128 D CB 0.563 41.372 40.800 0.015 0.000 1.187 128 D HN 0.374 nan 8.370 nan 0.000 0.451 129 A N 2.507 125.289 122.820 -0.062 0.000 2.671 129 A HA 0.464 4.778 4.320 -0.011 0.000 0.306 129 A C 1.032 178.433 177.584 -0.305 0.000 1.473 129 A CA -0.392 51.390 52.037 -0.424 0.000 1.155 129 A CB -0.283 18.545 19.000 -0.286 0.000 1.123 129 A HN 0.529 nan 8.150 nan 0.000 0.545 130 G N 2.058 110.645 108.800 -0.354 0.000 3.717 130 G HA2 0.420 4.374 3.960 -0.011 0.000 0.258 130 G HA3 0.420 4.374 3.960 -0.011 0.000 0.258 130 G C 0.287 175.038 174.900 -0.248 0.000 1.088 130 G CA -0.305 44.728 45.100 -0.111 0.000 1.737 130 G HN 0.691 nan 8.290 nan 0.000 0.648 131 L N 1.304 122.418 121.223 -0.182 0.000 2.862 131 L HA 0.405 4.739 4.340 -0.011 0.000 0.240 131 L C 1.041 177.873 176.870 -0.064 0.000 1.283 131 L CA -0.236 54.573 54.840 -0.052 0.000 1.117 131 L CB -0.305 41.828 42.059 0.123 0.000 1.444 131 L HN 0.328 nan 8.230 nan 0.000 0.456 132 G N -1.260 107.288 108.800 -0.419 0.000 2.608 132 G HA2 0.192 4.146 3.960 -0.011 0.000 0.291 132 G HA3 0.192 4.146 3.960 -0.011 0.000 0.291 132 G C -0.190 174.177 174.900 -0.889 0.000 1.425 132 G CA -0.444 44.333 45.100 -0.537 0.000 0.787 132 G HN -0.087 nan 8.290 nan 0.000 0.484 133 N N -0.872 117.526 118.700 -0.503 0.000 2.439 133 N HA 0.233 4.967 4.740 -0.011 0.000 0.176 133 N C 1.105 176.536 175.510 -0.133 0.000 1.029 133 N CA 1.284 54.149 53.050 -0.307 0.000 0.886 133 N CB 1.332 39.775 38.487 -0.073 0.000 1.057 133 N HN 0.864 nan 8.380 nan 0.000 0.437 134 G N -0.700 108.118 108.800 0.029 0.000 2.725 134 G HA2 0.182 4.136 3.960 -0.011 0.000 0.098 134 G HA3 0.182 4.136 3.960 -0.011 0.000 0.098 134 G C 0.683 175.720 174.900 0.229 0.000 1.188 134 G CA 0.198 45.460 45.100 0.270 0.000 1.237 134 G HN 0.140 nan 8.290 nan 0.000 0.596 135 G N 0.344 109.216 108.800 0.120 0.000 2.446 135 G HA2 -0.065 3.889 3.960 -0.011 0.000 0.217 135 G HA3 -0.065 3.889 3.960 -0.011 0.000 0.217 135 G C 1.886 176.782 174.900 -0.006 0.000 1.168 135 G CA 1.527 46.658 45.100 0.053 0.000 0.771 135 G HN 0.823 nan 8.290 nan 0.000 0.551 136 L N 0.585 121.770 121.223 -0.062 0.000 2.046 136 L HA 0.098 4.431 4.340 -0.011 0.000 0.208 136 L C 2.812 179.601 176.870 -0.134 0.000 1.077 136 L CA 1.928 56.632 54.840 -0.227 0.000 0.747 136 L CB -0.534 41.334 42.059 -0.317 0.000 0.896 136 L HN 0.238 nan 8.230 nan 0.000 0.432 137 G N -0.634 108.150 108.800 -0.028 0.000 2.408 137 G HA2 -0.293 3.661 3.960 -0.011 0.000 0.217 137 G HA3 -0.293 3.661 3.960 -0.011 0.000 0.217 137 G C 1.636 176.607 174.900 0.118 0.000 1.150 137 G CA 0.665 45.775 45.100 0.016 0.000 0.776 137 G HN 0.300 nan 8.290 nan 0.000 0.542 138 R N -0.009 120.602 120.500 0.185 0.000 2.115 138 R HA 0.144 4.477 4.340 -0.011 0.000 0.226 138 R C 2.287 178.599 176.300 0.019 0.000 1.100 138 R CA 0.746 56.928 56.100 0.137 0.000 0.980 138 R CB -0.862 29.487 30.300 0.083 0.000 0.875 138 R HN 0.317 nan 8.270 nan 0.000 0.445 139 L N 0.279 121.444 121.223 -0.098 0.000 2.012 139 L HA -0.059 4.275 4.340 -0.011 0.000 0.210 139 L C 2.124 178.704 176.870 -0.484 0.000 1.073 139 L CA 2.259 56.896 54.840 -0.339 0.000 0.748 139 L CB -0.933 40.889 42.059 -0.394 0.000 0.891 139 L HN 0.269 nan 8.230 nan 0.000 0.431 140 A N -0.623 122.038 122.820 -0.265 0.000 1.917 140 A HA -0.218 4.095 4.320 -0.011 0.000 0.219 140 A C 2.440 180.074 177.584 0.083 0.000 1.182 140 A CA 2.155 54.106 52.037 -0.144 0.000 0.633 140 A CB -1.226 17.640 19.000 -0.224 0.000 0.819 140 A HN 0.597 nan 8.150 nan 0.000 0.448 141 A N -1.139 121.767 122.820 0.142 0.000 1.873 141 A HA -0.152 4.161 4.320 -0.011 0.000 0.215 141 A C 2.326 179.989 177.584 0.132 0.000 1.186 141 A CA 1.646 53.795 52.037 0.186 0.000 0.616 141 A CB -1.282 17.814 19.000 0.160 0.000 0.823 141 A HN 0.613 nan 8.150 nan 0.000 0.442 142 C N -1.464 117.915 119.300 0.132 0.000 2.425 142 C HA -0.067 4.386 4.460 -0.011 0.000 0.277 142 C C 2.427 177.585 174.990 0.281 0.000 1.280 142 C CA 0.614 59.750 59.018 0.196 0.000 1.744 142 C CB -1.644 26.236 27.740 0.233 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 1.233 121.166 119.950 -0.029 0.000 2.134 143 F HA -0.086 4.434 4.527 -0.011 0.000 0.299 143 F C 2.249 177.989 175.800 -0.100 0.000 1.097 143 F CA 1.051 58.979 58.000 -0.120 0.000 1.264 143 F CB -1.364 37.425 39.000 -0.352 0.000 1.001 143 F HN 0.193 nan 8.300 nan 0.000 0.479 144 L N -0.433 120.867 121.223 0.127 0.000 2.046 144 L HA -0.250 4.083 4.340 -0.011 0.000 0.208 144 L C 2.148 179.029 176.870 0.020 0.000 1.077 144 L CA 1.935 56.805 54.840 0.051 0.000 0.747 144 L CB -0.767 41.324 42.059 0.053 0.000 0.896 144 L HN 0.114 nan 8.230 nan 0.000 0.432 145 D N -0.485 119.937 120.400 0.037 0.000 2.097 145 D HA -0.171 4.463 4.640 -0.011 0.000 0.195 145 D C 2.214 178.528 176.300 0.024 0.000 0.989 145 D CA 1.490 55.497 54.000 0.011 0.000 0.827 145 D CB 0.206 41.011 40.800 0.009 0.000 0.966 145 D HN 0.075 nan 8.370 nan 0.000 0.456 146 S N -0.653 115.076 115.700 0.048 0.000 2.368 146 S HA -0.126 4.338 4.470 -0.011 0.000 0.225 146 S C 2.008 176.615 174.600 0.013 0.000 1.030 146 S CA 0.932 59.150 58.200 0.030 0.000 0.999 146 S CB -0.239 62.979 63.200 0.030 0.000 0.844 146 S HN 0.345 nan 8.310 nan 0.000 0.459 147 M N 0.961 120.562 119.600 0.002 0.000 2.159 147 M HA -0.112 4.362 4.480 -0.011 0.000 0.263 147 M C 2.448 178.749 176.300 0.002 0.000 1.063 147 M CA 1.455 56.755 55.300 0.000 0.000 1.110 147 M CB -0.524 32.060 32.600 -0.027 0.000 1.374 147 M HN 0.401 nan 8.290 nan 0.000 0.411 148 A N -0.279 122.539 122.820 -0.003 0.000 1.897 148 A HA -0.107 4.206 4.320 -0.011 0.000 0.215 148 A C 2.160 179.758 177.584 0.023 0.000 1.181 148 A CA 1.932 53.972 52.037 0.004 0.000 0.620 148 A CB -1.036 17.950 19.000 -0.023 0.000 0.821 148 A HN 0.416 nan 8.150 nan 0.000 0.443 149 T N 0.358 114.929 114.554 0.029 0.000 2.833 149 T HA -0.019 4.324 4.350 -0.011 0.000 0.269 149 T C 1.309 176.037 174.700 0.046 0.000 1.054 149 T CA 1.167 63.297 62.100 0.051 0.000 1.135 149 T CB -0.278 68.627 68.868 0.063 0.000 0.869 149 T HN 0.342 nan 8.240 nan 0.000 0.466 150 L N 0.415 121.661 121.223 0.039 0.000 2.653 150 L HA 0.313 4.647 4.340 -0.011 0.000 0.231 150 L C 1.622 178.522 176.870 0.051 0.000 1.153 150 L CA -0.097 54.769 54.840 0.042 0.000 0.933 150 L CB -0.352 41.730 42.059 0.039 0.000 1.175 150 L HN 0.386 nan 8.230 nan 0.000 0.473 151 G N 1.082 109.916 108.800 0.057 0.000 2.249 151 G HA2 -0.288 3.666 3.960 -0.011 0.000 0.273 151 G HA3 -0.288 3.666 3.960 -0.011 0.000 0.273 151 G C 0.119 175.071 174.900 0.086 0.000 1.036 151 G CA 0.039 45.192 45.100 0.088 0.000 0.824 151 G HN 0.285 nan 8.290 nan 0.000 0.504 152 L N -0.118 121.124 121.223 0.031 0.000 2.350 152 L HA 0.595 4.928 4.340 -0.011 0.000 0.275 152 L C 1.238 177.992 176.870 -0.194 0.000 1.099 152 L CA -0.319 54.492 54.840 -0.049 0.000 0.808 152 L CB 1.523 43.566 42.059 -0.027 0.000 1.149 152 L HN 0.261 nan 8.230 nan 0.000 0.442 153 A N 3.142 125.706 122.820 -0.428 0.000 2.981 153 A HA 0.555 4.868 4.320 -0.011 0.000 0.280 153 A C 0.289 177.527 177.584 -0.578 0.000 1.743 153 A CA -0.127 51.368 52.037 -0.903 0.000 1.430 153 A CB -0.681 17.671 19.000 -1.080 0.000 1.085 153 A HN 0.700 nan 8.150 nan 0.000 0.597 154 A N 1.596 124.120 122.820 -0.494 0.000 2.350 154 A HA 0.803 5.116 4.320 -0.011 0.000 0.324 154 A C -1.042 176.290 177.584 -0.419 0.000 1.118 154 A CA -0.480 51.344 52.037 -0.354 0.000 0.783 154 A CB 0.850 19.713 19.000 -0.229 0.000 1.236 154 A HN 0.628 nan 8.150 nan 0.000 0.457 155 Y N 0.374 120.610 120.300 -0.106 0.000 2.373 155 Y HA 0.541 5.085 4.550 -0.010 0.000 0.336 155 Y C 0.823 176.791 175.900 0.113 0.000 0.979 155 Y CA -0.610 57.487 58.100 -0.005 0.000 1.080 155 Y CB 2.432 40.959 38.460 0.110 0.000 1.190 155 Y HN 0.842 nan 8.280 nan 0.000 0.446 156 G N 2.116 110.987 108.800 0.118 0.000 2.338 156 G HA2 0.459 4.413 3.960 -0.011 0.000 0.298 156 G HA3 0.459 4.413 3.960 -0.011 0.000 0.298 156 G C -1.768 173.136 174.900 0.008 0.000 1.140 156 G CA -0.249 44.961 45.100 0.183 0.000 0.860 156 G HN 0.521 nan 8.290 nan 0.000 0.470 157 Y N 0.838 121.366 120.300 0.379 0.000 2.391 157 Y HA 0.636 5.179 4.550 -0.011 0.000 0.341 157 Y C 0.732 176.933 175.900 0.502 0.000 0.965 157 Y CA 0.175 58.465 58.100 0.316 0.000 1.067 157 Y CB 2.703 41.375 38.460 0.353 0.000 1.199 157 Y HN 0.888 nan 8.280 nan 0.000 0.450 158 G N 2.283 111.408 108.800 0.542 0.000 2.753 158 G HA2 0.596 4.549 3.960 -0.011 0.000 0.303 158 G HA3 0.596 4.549 3.960 -0.011 0.000 0.303 158 G C -1.798 173.343 174.900 0.403 0.000 1.242 158 G CA -0.831 44.612 45.100 0.571 0.000 0.810 158 G HN 0.433 nan 8.290 nan 0.000 0.515 159 I N 0.559 121.261 120.570 0.220 0.000 2.441 159 I HA 0.432 4.596 4.170 -0.011 0.000 0.295 159 I C 0.286 176.313 176.117 -0.149 0.000 0.994 159 I CA -0.727 60.589 61.300 0.026 0.000 1.144 159 I CB 2.202 40.033 38.000 -0.282 0.000 1.314 159 I HN 0.349 nan 8.210 nan 0.000 0.445 160 R N 6.128 126.640 120.500 0.022 0.000 2.608 160 R HA 0.231 4.565 4.340 -0.011 0.000 0.277 160 R C -1.288 175.065 176.300 0.088 0.000 1.341 160 R CA -0.426 55.717 56.100 0.071 0.000 1.199 160 R CB -0.015 30.305 30.300 0.033 0.000 1.156 160 R HN 0.397 nan 8.270 nan 0.000 0.558 161 Y N 1.574 122.040 120.300 0.277 0.000 2.425 161 Y HA -0.062 4.481 4.550 -0.011 0.000 0.331 161 Y C 1.581 177.665 175.900 0.308 0.000 1.157 161 Y CA 0.006 58.259 58.100 0.256 0.000 1.372 161 Y CB 0.851 39.443 38.460 0.220 0.000 1.253 161 Y HN 0.588 nan 8.280 nan 0.000 0.536 162 E N 2.235 122.618 120.200 0.304 0.000 2.150 162 E HA -0.082 4.261 4.350 -0.011 0.000 0.193 162 E C -0.733 175.722 176.600 -0.242 0.000 0.985 162 E CA 0.751 57.121 56.400 -0.049 0.000 0.814 162 E CB 0.176 29.757 29.700 -0.198 0.000 0.752 162 E HN 0.512 nan 8.360 nan 0.000 0.466 163 F N -0.314 119.861 119.950 0.375 0.000 2.507 163 F HA 0.426 4.947 4.527 -0.011 0.000 0.328 163 F C 0.769 176.677 175.800 0.180 0.000 1.136 163 F CA -0.859 57.322 58.000 0.301 0.000 0.930 163 F CB 1.871 40.975 39.000 0.174 0.000 1.166 163 F HN -0.113 nan 8.300 nan 0.000 0.436 164 G N 1.865 110.796 108.800 0.219 0.000 2.582 164 G HA2 0.330 4.284 3.960 -0.011 0.000 0.232 164 G HA3 0.330 4.284 3.960 -0.011 0.000 0.232 164 G C -0.516 174.364 174.900 -0.033 0.000 1.458 164 G CA -0.671 44.406 45.100 -0.039 0.000 1.062 164 G HN 0.540 nan 8.290 nan 0.000 0.566 165 I N 1.088 121.566 120.570 -0.153 0.000 2.752 165 I HA 0.199 4.362 4.170 -0.011 0.000 0.289 165 I C 0.555 176.590 176.117 -0.136 0.000 1.197 165 I CA -1.085 60.092 61.300 -0.203 0.000 1.432 165 I CB -0.370 37.416 38.000 -0.357 0.000 1.359 165 I HN 0.324 nan 8.210 nan 0.000 0.571 166 F N 6.368 126.340 119.950 0.037 0.000 2.628 166 F HA 0.212 4.732 4.527 -0.010 0.000 0.362 166 F C 0.529 176.387 175.800 0.097 0.000 1.148 166 F CA -0.552 57.490 58.000 0.070 0.000 1.352 166 F CB -0.353 38.674 39.000 0.045 0.000 1.081 166 F HN 0.430 nan 8.300 nan 0.000 0.605 167 N N 2.404 121.284 118.700 0.300 0.000 2.497 167 N HA 0.040 4.773 4.740 -0.011 0.000 0.271 167 N C -0.758 174.997 175.510 0.408 0.000 1.142 167 N CA -0.241 52.962 53.050 0.254 0.000 0.965 167 N CB 1.135 39.755 38.487 0.223 0.000 1.077 167 N HN 0.751 nan 8.380 nan 0.000 0.462 168 Q N 2.438 122.449 119.800 0.350 0.000 2.303 168 Q HA 0.173 4.506 4.340 -0.011 0.000 0.257 168 Q C -0.924 175.250 176.000 0.290 0.000 0.941 168 Q CA -0.396 55.649 55.803 0.404 0.000 0.931 168 Q CB 0.714 29.693 28.738 0.402 0.000 1.215 168 Q HN 0.254 nan 8.270 nan 0.000 0.437 169 K N 4.186 124.732 120.400 0.243 0.000 2.207 169 K HA 0.459 4.772 4.320 -0.011 0.000 0.255 169 K C -0.646 176.059 176.600 0.174 0.000 0.941 169 K CA -0.929 55.478 56.287 0.200 0.000 0.825 169 K CB 1.556 34.152 32.500 0.160 0.000 1.119 169 K HN 0.615 nan 8.250 nan 0.000 0.430 170 I N 2.088 122.754 120.570 0.161 0.000 2.330 170 I HA 0.148 4.312 4.170 -0.011 0.000 0.289 170 I C -0.085 176.096 176.117 0.106 0.000 1.001 170 I CA -0.722 60.644 61.300 0.109 0.000 1.193 170 I CB 0.842 38.887 38.000 0.076 0.000 1.345 170 I HN 0.506 nan 8.210 nan 0.000 0.461 171 C N 5.307 124.680 119.300 0.121 0.000 2.322 171 C HA 0.642 5.096 4.460 -0.011 0.000 0.324 171 C C 1.171 176.269 174.990 0.180 0.000 1.249 171 C CA 0.278 59.373 59.018 0.128 0.000 1.453 171 C CB -0.149 27.660 27.740 0.115 0.000 2.145 171 C HN 1.105 nan 8.230 nan 0.000 0.466 172 G N 4.095 112.972 108.800 0.129 0.000 2.249 172 G HA2 0.085 4.039 3.960 -0.011 0.000 0.273 172 G HA3 0.085 4.039 3.960 -0.011 0.000 0.273 172 G C 1.207 176.126 174.900 0.032 0.000 1.036 172 G CA 1.138 46.321 45.100 0.139 0.000 0.824 172 G HN 2.619 nan 8.290 nan 0.000 0.504 173 G N -2.932 105.832 108.800 -0.060 0.000 2.179 173 G HA2 -0.292 3.662 3.960 -0.011 0.000 0.260 173 G HA3 -0.292 3.662 3.960 -0.011 0.000 0.260 173 G C 0.339 175.004 174.900 -0.391 0.000 0.977 173 G CA 0.662 45.606 45.100 -0.261 0.000 0.641 173 G HN 1.206 nan 8.290 nan 0.000 0.533 174 W N 0.682 121.933 121.300 -0.082 0.000 2.570 174 W HA 0.655 5.308 4.660 -0.011 0.000 0.337 174 W C 0.631 177.099 176.519 -0.085 0.000 1.067 174 W CA -0.969 56.321 57.345 -0.092 0.000 1.229 174 W CB 0.899 30.322 29.460 -0.062 0.000 1.355 174 W HN 0.238 nan 8.180 nan 0.000 0.555 175 Q N 3.294 123.191 119.800 0.162 0.000 2.289 175 Q HA 0.159 4.492 4.340 -0.011 0.000 0.273 175 Q C -0.506 175.554 176.000 0.100 0.000 1.029 175 Q CA 0.296 56.167 55.803 0.113 0.000 0.896 175 Q CB 0.488 29.283 28.738 0.095 0.000 1.182 175 Q HN 0.310 nan 8.270 nan 0.000 0.385 176 M N 3.129 122.782 119.600 0.089 0.000 2.528 176 M HA 0.388 4.862 4.480 -0.011 0.000 0.321 176 M C -1.004 175.306 176.300 0.018 0.000 1.153 176 M CA -0.694 54.624 55.300 0.031 0.000 0.951 176 M CB 1.786 34.417 32.600 0.051 0.000 1.705 176 M HN 0.588 nan 8.290 nan 0.000 0.451 177 E N 1.204 121.346 120.200 -0.097 0.000 2.166 177 E HA 0.482 4.826 4.350 -0.011 0.000 0.275 177 E C -0.981 175.621 176.600 0.004 0.000 0.941 177 E CA -0.389 55.925 56.400 -0.142 0.000 0.784 177 E CB 1.731 31.093 29.700 -0.562 0.000 1.115 177 E HN 0.385 nan 8.360 nan 0.000 0.399 178 E N 0.949 121.233 120.200 0.140 0.000 2.256 178 E HA 0.579 4.923 4.350 -0.011 0.000 0.267 178 E C -0.952 175.749 176.600 0.169 0.000 0.892 178 E CA -1.282 55.191 56.400 0.122 0.000 0.775 178 E CB 1.927 31.709 29.700 0.137 0.000 1.207 178 E HN 0.582 nan 8.360 nan 0.000 0.420 179 A N 2.103 124.982 122.820 0.098 0.000 2.546 179 A HA -0.018 4.296 4.320 -0.011 0.000 0.243 179 A C -0.002 177.760 177.584 0.296 0.000 1.063 179 A CA 0.150 52.255 52.037 0.113 0.000 0.757 179 A CB -0.066 18.870 19.000 -0.106 0.000 0.991 179 A HN 0.598 nan 8.150 nan 0.000 0.503 180 D N 1.922 122.567 120.400 0.408 0.000 2.517 180 D HA 0.176 4.810 4.640 -0.011 0.000 0.220 180 D C -0.384 176.252 176.300 0.560 0.000 1.158 180 D CA -0.179 54.068 54.000 0.410 0.000 0.992 180 D CB 0.307 41.283 40.800 0.294 0.000 1.058 180 D HN 0.378 nan 8.370 nan 0.000 0.516 181 D N 3.753 124.440 120.400 0.478 0.000 2.801 181 D HA -0.023 4.610 4.640 -0.011 0.000 0.232 181 D C 1.119 177.549 176.300 0.216 0.000 1.128 181 D CA -0.577 53.616 54.000 0.323 0.000 1.003 181 D CB -0.200 40.794 40.800 0.323 0.000 1.110 181 D HN 0.563 nan 8.370 nan 0.000 0.477 182 W N 1.716 123.045 121.300 0.048 0.000 2.525 182 W HA -0.040 4.614 4.660 -0.011 0.000 0.259 182 W C 0.123 176.693 176.519 0.085 0.000 1.253 182 W CA 0.111 57.510 57.345 0.089 0.000 1.262 182 W CB -0.734 28.782 29.460 0.094 0.000 1.122 182 W HN 0.175 nan 8.180 nan 0.000 0.607 183 L N 0.990 121.858 121.223 -0.592 0.000 2.607 183 L HA 0.190 4.523 4.340 -0.011 0.000 0.228 183 L C 2.760 179.467 176.870 -0.271 0.000 1.123 183 L CA -0.006 54.463 54.840 -0.618 0.000 0.890 183 L CB -0.637 40.923 42.059 -0.832 0.000 1.103 183 L HN -0.112 nan 8.230 nan 0.000 0.468 184 R N 0.581 120.978 120.500 -0.171 0.000 2.113 184 R HA -0.230 4.104 4.340 -0.011 0.000 0.244 184 R C 1.387 177.508 176.300 -0.298 0.000 1.142 184 R CA 2.084 58.040 56.100 -0.239 0.000 0.953 184 R CB -0.197 29.933 30.300 -0.284 0.000 0.860 184 R HN 0.316 nan 8.270 nan 0.000 0.438 185 Y N -0.400 119.914 120.300 0.024 0.000 2.466 185 Y HA 0.318 4.862 4.550 -0.011 0.000 0.272 185 Y C 0.872 176.759 175.900 -0.021 0.000 1.169 185 Y CA 0.456 58.580 58.100 0.039 0.000 1.285 185 Y CB 0.820 39.414 38.460 0.223 0.000 1.078 185 Y HN 0.432 nan 8.280 nan 0.000 0.523 186 G N 1.284 110.127 108.800 0.071 0.000 2.662 186 G HA2 -0.211 3.743 3.960 -0.011 0.000 0.686 186 G HA3 -0.211 3.743 3.960 -0.011 0.000 0.686 186 G C -1.299 173.676 174.900 0.124 0.000 1.271 186 G CA -0.808 44.301 45.100 0.016 0.000 0.816 186 G HN 0.250 nan 8.290 nan 0.000 0.608 187 N N 1.143 119.863 118.700 0.034 0.000 2.573 187 N HA 0.572 5.305 4.740 -0.011 0.000 0.262 187 N C -0.738 174.775 175.510 0.004 0.000 1.029 187 N CA -1.975 51.114 53.050 0.064 0.000 0.882 187 N CB 2.071 40.535 38.487 -0.040 0.000 1.204 187 N HN 0.234 nan 8.380 nan 0.000 0.519 188 P HA 0.016 nan 4.420 nan 0.000 0.226 188 P C 0.621 177.620 177.300 -0.502 0.000 1.153 188 P CA 0.752 63.545 63.100 -0.512 0.000 0.777 188 P CB 0.107 31.182 31.700 -1.042 0.000 0.794 189 W N 1.891 123.204 121.300 0.022 0.000 2.523 189 W HA 0.044 4.697 4.660 -0.010 0.000 0.278 189 W C 1.298 177.859 176.519 0.070 0.000 1.236 189 W CA -0.309 57.044 57.345 0.014 0.000 1.306 189 W CB -0.364 29.103 29.460 0.011 0.000 1.101 189 W HN -0.002 nan 8.180 nan 0.000 0.577 190 E N 1.771 122.149 120.200 0.297 0.000 2.349 190 E HA 0.308 4.651 4.350 -0.011 0.000 0.265 190 E C -0.618 176.158 176.600 0.293 0.000 1.064 190 E CA -0.692 55.893 56.400 0.309 0.000 0.886 190 E CB 1.246 31.139 29.700 0.321 0.000 1.036 190 E HN -0.313 nan 8.360 nan 0.000 0.413 191 K N 1.528 122.118 120.400 0.317 0.000 2.535 191 K HA 0.414 4.727 4.320 -0.011 0.000 0.253 191 K C -1.168 175.473 176.600 0.068 0.000 0.953 191 K CA -0.481 55.926 56.287 0.200 0.000 0.863 191 K CB 1.577 34.197 32.500 0.200 0.000 1.111 191 K HN 0.668 nan 8.250 nan 0.000 0.431 192 A N 4.194 126.967 122.820 -0.079 0.000 2.511 192 A HA 0.298 4.611 4.320 -0.011 0.000 0.242 192 A C -0.256 177.164 177.584 -0.275 0.000 1.069 192 A CA -0.016 51.727 52.037 -0.491 0.000 0.763 192 A CB 0.192 18.887 19.000 -0.510 0.000 1.001 192 A HN 0.672 nan 8.150 nan 0.000 0.498 193 R N 3.288 123.621 120.500 -0.277 0.000 2.835 193 R HA 0.202 4.535 4.340 -0.011 0.000 0.290 193 R C -2.341 173.881 176.300 -0.130 0.000 1.410 193 R CA -1.714 54.318 56.100 -0.113 0.000 1.590 193 R CB 0.625 31.013 30.300 0.146 0.000 1.288 193 R HN 0.576 nan 8.270 nan 0.000 0.637 194 P HA -0.193 nan 4.420 nan 0.000 0.221 194 P C 0.917 178.145 177.300 -0.120 0.000 1.145 194 P CA 1.124 64.159 63.100 -0.109 0.000 0.795 194 P CB 0.371 32.010 31.700 -0.101 0.000 0.775 195 E N -0.241 119.797 120.200 -0.270 0.000 2.338 195 E HA -0.144 4.200 4.350 -0.011 0.000 0.197 195 E C 0.662 177.024 176.600 -0.396 0.000 1.007 195 E CA 0.915 57.076 56.400 -0.398 0.000 0.849 195 E CB -0.863 28.472 29.700 -0.609 0.000 0.774 195 E HN 0.279 nan 8.360 nan 0.000 0.506 196 F N 1.913 121.881 119.950 0.029 0.000 2.668 196 F HA 0.262 4.782 4.527 -0.011 0.000 0.297 196 F C 0.472 176.370 175.800 0.163 0.000 1.124 196 F CA -0.485 57.564 58.000 0.082 0.000 1.353 196 F CB 0.053 39.098 39.000 0.074 0.000 0.992 196 F HN -0.296 nan 8.300 nan 0.000 0.524 197 T N 2.930 117.625 114.554 0.235 0.000 2.928 197 T HA 0.272 4.616 4.350 -0.011 0.000 0.305 197 T C -0.243 174.559 174.700 0.170 0.000 1.035 197 T CA 0.398 62.633 62.100 0.224 0.000 1.145 197 T CB 0.633 69.581 68.868 0.133 0.000 0.963 197 T HN -0.163 nan 8.240 nan 0.000 0.545 198 L N 5.528 126.819 121.223 0.114 0.000 2.401 198 L HA 0.546 4.880 4.340 -0.011 0.000 0.266 198 L C -2.257 174.566 176.870 -0.077 0.000 0.991 198 L CA -2.651 52.183 54.840 -0.009 0.000 0.818 198 L CB 1.993 43.977 42.059 -0.125 0.000 1.321 198 L HN 0.385 nan 8.230 nan 0.000 0.413 199 P HA 0.374 nan 4.420 nan 0.000 0.284 199 P C -1.119 176.045 177.300 -0.227 0.000 1.253 199 P CA -0.344 62.670 63.100 -0.144 0.000 0.800 199 P CB 1.640 33.250 31.700 -0.150 0.000 0.961 200 V N 3.721 123.485 119.914 -0.250 0.000 2.604 200 V HA 0.333 4.447 4.120 -0.011 0.000 0.305 200 V C 0.123 176.003 176.094 -0.357 0.000 1.043 200 V CA -0.617 61.523 62.300 -0.266 0.000 0.888 200 V CB 1.517 33.228 31.823 -0.187 0.000 0.995 200 V HN 0.602 nan 8.190 nan 0.000 0.429 201 H N 3.704 122.631 119.070 -0.238 0.000 2.472 201 H HA 0.633 5.182 4.556 -0.011 0.000 0.338 201 H C -1.301 173.783 175.328 -0.406 0.000 1.133 201 H CA -0.150 55.688 56.048 -0.351 0.000 1.216 201 H CB 1.942 31.255 29.762 -0.748 0.000 1.497 201 H HN 0.486 nan 8.280 nan 0.000 0.500 202 F N 0.313 120.345 119.950 0.136 0.000 2.613 202 F HA 0.209 4.730 4.527 -0.011 0.000 0.314 202 F C -0.225 175.719 175.800 0.240 0.000 1.075 202 F CA -0.541 57.551 58.000 0.154 0.000 0.945 202 F CB 1.108 40.119 39.000 0.019 0.000 1.310 202 F HN 0.558 nan 8.300 nan 0.000 0.467 203 Y N 0.207 120.815 120.300 0.513 0.000 2.896 203 Y HA -0.023 4.521 4.550 -0.011 0.000 0.466 203 Y C 1.366 177.522 175.900 0.427 0.000 1.196 203 Y CA 0.722 59.038 58.100 0.361 0.000 2.514 203 Y CB -1.906 36.695 38.460 0.235 0.000 1.231 203 Y HN 1.281 nan 8.280 nan 0.000 0.632 204 G N 0.656 109.733 108.800 0.461 0.000 2.593 204 G HA2 0.098 4.052 3.960 -0.011 0.000 0.237 204 G HA3 0.098 4.052 3.960 -0.011 0.000 0.237 204 G C -0.576 174.542 174.900 0.365 0.000 1.312 204 G CA 0.970 46.269 45.100 0.331 0.000 0.896 204 G HN 1.384 nan 8.290 nan 0.000 0.574 205 R N -2.647 118.067 120.500 0.357 0.000 2.716 205 R HA 0.693 5.027 4.340 -0.011 0.000 0.271 205 R C -1.428 175.016 176.300 0.239 0.000 1.028 205 R CA -1.008 55.239 56.100 0.244 0.000 0.883 205 R CB 1.286 31.675 30.300 0.150 0.000 1.250 205 R HN 0.897 nan 8.270 nan 0.000 0.465 206 V N 0.901 120.870 119.914 0.092 0.000 2.394 206 V HA 0.364 4.477 4.120 -0.011 0.000 0.282 206 V C -0.191 175.851 176.094 -0.086 0.000 1.031 206 V CA -0.516 61.769 62.300 -0.025 0.000 0.881 206 V CB 1.337 33.074 31.823 -0.144 0.000 0.982 206 V HN 0.719 nan 8.190 nan 0.000 0.451 207 E N 2.760 122.884 120.200 -0.127 0.000 2.183 207 E HA 0.418 4.761 4.350 -0.011 0.000 0.271 207 E C -1.038 175.414 176.600 -0.247 0.000 0.919 207 E CA -0.718 55.621 56.400 -0.103 0.000 0.781 207 E CB 0.967 30.654 29.700 -0.021 0.000 1.140 207 E HN 0.701 nan 8.360 nan 0.000 0.402 208 H N 2.461 121.545 119.070 0.024 0.000 2.556 208 H HA 0.204 4.753 4.556 -0.011 0.000 0.310 208 H C 0.079 175.416 175.328 0.014 0.000 1.057 208 H CA -0.307 55.750 56.048 0.016 0.000 1.264 208 H CB 1.229 30.996 29.762 0.008 0.000 1.404 208 H HN 0.571 nan 8.280 nan 0.000 0.462 209 T N -0.722 113.890 114.554 0.097 0.000 2.922 209 T HA 0.170 4.514 4.350 -0.011 0.000 0.281 209 T C 1.403 176.141 174.700 0.063 0.000 1.005 209 T CA -0.678 61.460 62.100 0.064 0.000 0.982 209 T CB 0.973 69.862 68.868 0.035 0.000 1.158 209 T HN 0.377 nan 8.240 nan 0.000 0.566 210 S N -0.277 115.448 115.700 0.043 0.000 2.419 210 S HA -0.075 4.389 4.470 -0.011 0.000 0.233 210 S C 1.289 175.910 174.600 0.034 0.000 1.016 210 S CA 0.789 59.009 58.200 0.034 0.000 0.974 210 S CB -0.422 62.793 63.200 0.025 0.000 0.786 210 S HN 0.705 nan 8.310 nan 0.000 0.492 211 Q N 0.803 120.624 119.800 0.035 0.000 2.404 211 Q HA 0.498 4.832 4.340 -0.011 0.000 0.368 211 Q C 0.452 176.474 176.000 0.036 0.000 0.939 211 Q CA 0.164 55.986 55.803 0.031 0.000 1.099 211 Q CB 0.023 28.776 28.738 0.023 0.000 1.284 211 Q HN 0.499 nan 8.270 nan 0.000 0.421 212 G N -0.009 108.824 108.800 0.055 0.000 2.698 212 G HA2 -0.002 3.952 3.960 -0.011 0.000 0.225 212 G HA3 -0.002 3.952 3.960 -0.011 0.000 0.225 212 G C -0.551 174.381 174.900 0.054 0.000 1.345 212 G CA -0.616 44.525 45.100 0.069 0.000 0.871 212 G HN 0.647 nan 8.290 nan 0.000 0.540 213 A N -0.077 122.757 122.820 0.023 0.000 2.371 213 A HA 0.705 5.019 4.320 -0.011 0.000 0.257 213 A C 0.453 177.987 177.584 -0.083 0.000 1.089 213 A CA 0.400 52.366 52.037 -0.118 0.000 0.794 213 A CB 0.588 19.487 19.000 -0.169 0.000 1.029 213 A HN 0.753 nan 8.150 nan 0.000 0.488 214 K N 0.754 121.093 120.400 -0.102 0.000 2.443 214 K HA 0.205 4.518 4.320 -0.011 0.000 0.252 214 K C -1.851 174.782 176.600 0.054 0.000 0.933 214 K CA -0.356 55.921 56.287 -0.018 0.000 0.792 214 K CB 2.200 34.691 32.500 -0.015 0.000 1.185 214 K HN 0.741 nan 8.250 nan 0.000 0.425 215 W N 5.335 126.552 121.300 -0.138 0.000 2.308 215 W HA 0.346 5.000 4.660 -0.011 0.000 0.311 215 W C -0.668 175.790 176.519 -0.102 0.000 1.088 215 W CA -0.800 56.470 57.345 -0.125 0.000 1.309 215 W CB 0.145 29.517 29.460 -0.146 0.000 1.229 215 W HN 0.308 nan 8.180 nan 0.000 0.427 216 V N 2.722 122.684 119.914 0.081 0.000 3.113 216 V HA 0.616 4.730 4.120 -0.011 0.000 0.316 216 V C -0.156 175.913 176.094 -0.042 0.000 1.125 216 V CA -0.942 61.332 62.300 -0.045 0.000 1.026 216 V CB 1.972 33.799 31.823 0.007 0.000 1.080 216 V HN 0.457 nan 8.190 nan 0.000 0.444 217 D N 0.103 120.480 120.400 -0.038 0.000 2.870 217 D HA -0.137 4.496 4.640 -0.011 0.000 0.228 217 D C 0.555 176.861 176.300 0.010 0.000 1.147 217 D CA 1.518 55.520 54.000 0.003 0.000 0.757 217 D CB -1.627 39.198 40.800 0.041 0.000 1.091 217 D HN 1.303 nan 8.370 nan 0.000 0.429 218 T N -2.721 111.793 114.554 -0.067 0.000 2.849 218 T HA 0.463 4.807 4.350 -0.011 0.000 0.284 218 T C 0.518 175.274 174.700 0.092 0.000 1.004 218 T CA -0.734 61.342 62.100 -0.040 0.000 1.021 218 T CB 1.764 70.456 68.868 -0.294 0.000 1.013 218 T HN 0.043 nan 8.240 nan 0.000 0.527 219 Q N 0.481 120.406 119.800 0.209 0.000 2.243 219 Q HA 0.557 4.891 4.340 -0.011 0.000 0.252 219 Q C -0.931 175.195 176.000 0.211 0.000 0.909 219 Q CA -0.864 55.086 55.803 0.244 0.000 0.922 219 Q CB 1.790 30.751 28.738 0.371 0.000 1.215 219 Q HN 0.488 nan 8.270 nan 0.000 0.427 220 V N 3.011 123.013 119.914 0.147 0.000 2.435 220 V HA 0.401 4.514 4.120 -0.011 0.000 0.290 220 V C -0.312 175.867 176.094 0.142 0.000 1.030 220 V CA -0.655 61.650 62.300 0.009 0.000 0.881 220 V CB 1.726 33.492 31.823 -0.095 0.000 0.983 220 V HN 0.493 nan 8.190 nan 0.000 0.445 221 V N 5.909 125.917 119.914 0.156 0.000 2.604 221 V HA 0.490 4.603 4.120 -0.011 0.000 0.305 221 V C -0.135 176.055 176.094 0.160 0.000 1.043 221 V CA -0.671 61.741 62.300 0.186 0.000 0.888 221 V CB 1.951 33.958 31.823 0.306 0.000 0.995 221 V HN 0.639 nan 8.190 nan 0.000 0.429 222 L N 3.504 124.812 121.223 0.142 0.000 2.350 222 L HA 0.715 5.048 4.340 -0.011 0.000 0.275 222 L C 0.470 177.515 176.870 0.291 0.000 1.099 222 L CA -0.290 54.637 54.840 0.146 0.000 0.808 222 L CB 1.220 43.344 42.059 0.109 0.000 1.149 222 L HN 0.759 nan 8.230 nan 0.000 0.442 223 A N 5.137 128.076 122.820 0.197 0.000 2.267 223 A HA 0.582 4.896 4.320 -0.011 0.000 0.315 223 A C -0.472 177.380 177.584 0.447 0.000 1.297 223 A CA -0.477 51.710 52.037 0.250 0.000 0.865 223 A CB 0.897 19.604 19.000 -0.488 0.000 1.165 223 A HN 0.790 nan 8.150 nan 0.000 0.513 224 M N 5.995 125.916 119.600 0.535 0.000 2.129 224 M HA 0.481 4.955 4.480 -0.011 0.000 0.348 224 M C -2.631 173.934 176.300 0.442 0.000 1.116 224 M CA -2.090 53.466 55.300 0.427 0.000 1.022 224 M CB 1.980 34.750 32.600 0.284 0.000 1.599 224 M HN 0.334 nan 8.290 nan 0.000 0.449 225 P HA 0.275 nan 4.420 nan 0.000 0.286 225 P C -1.947 175.290 177.300 -0.105 0.000 1.261 225 P CA -0.024 62.994 63.100 -0.136 0.000 0.821 225 P CB 0.547 31.967 31.700 -0.468 0.000 1.013 226 Y N 0.429 120.678 120.300 -0.086 0.000 2.350 226 Y HA 0.348 4.891 4.550 -0.011 0.000 0.338 226 Y C 0.162 176.057 175.900 -0.008 0.000 0.961 226 Y CA -0.302 57.802 58.100 0.006 0.000 1.100 226 Y CB 1.413 39.905 38.460 0.054 0.000 1.179 226 Y HN 0.214 nan 8.280 nan 0.000 0.454 227 D N 1.838 122.354 120.400 0.193 0.000 2.193 227 D HA 0.423 5.056 4.640 -0.011 0.000 0.244 227 D C -0.654 175.872 176.300 0.377 0.000 1.064 227 D CA -0.257 53.890 54.000 0.246 0.000 0.845 227 D CB 1.808 42.775 40.800 0.277 0.000 1.148 227 D HN 0.374 nan 8.370 nan 0.000 0.464 228 T N 3.148 117.831 114.554 0.216 0.000 2.824 228 T HA 0.472 4.816 4.350 -0.011 0.000 0.282 228 T C -2.534 172.013 174.700 -0.255 0.000 0.993 228 T CA -1.482 60.643 62.100 0.042 0.000 0.967 228 T CB 2.037 70.925 68.868 0.032 0.000 0.960 228 T HN 0.163 nan 8.240 nan 0.000 0.441 229 P HA 0.303 nan 4.420 nan 0.000 0.275 229 P C -0.979 175.989 177.300 -0.554 0.000 1.227 229 P CA -0.386 62.032 63.100 -1.136 0.000 0.781 229 P CB 0.797 31.601 31.700 -1.494 0.000 0.906 230 V N 5.384 125.039 119.914 -0.433 0.000 2.305 230 V HA 0.260 4.373 4.120 -0.011 0.000 0.275 230 V C -2.052 173.910 176.094 -0.220 0.000 1.020 230 V CA -1.938 60.201 62.300 -0.269 0.000 0.811 230 V CB 1.256 32.970 31.823 -0.182 0.000 1.031 230 V HN 0.541 nan 8.190 nan 0.000 0.439 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.360 177.610 177.300 -0.085 0.000 1.244 231 P CA 0.297 63.309 63.100 -0.148 0.000 0.784 231 P CB 1.504 33.114 31.700 -0.150 0.000 0.913 232 G N 2.088 110.856 108.800 -0.053 0.000 2.599 232 G HA2 0.153 4.107 3.960 -0.011 0.000 0.264 232 G HA3 0.153 4.107 3.960 -0.011 0.000 0.264 232 G C -1.187 173.725 174.900 0.020 0.000 1.200 232 G CA -0.591 44.507 45.100 -0.004 0.000 0.896 232 G HN 0.508 nan 8.290 nan 0.000 0.536 233 Y N 0.964 121.227 120.300 -0.062 0.000 2.624 233 Y HA 0.241 4.784 4.550 -0.011 0.000 0.354 233 Y C 1.353 177.217 175.900 -0.060 0.000 1.051 233 Y CA -0.123 57.936 58.100 -0.068 0.000 1.377 233 Y CB -0.125 38.293 38.460 -0.071 0.000 1.168 233 Y HN 0.736 nan 8.280 nan 0.000 0.525 234 R N 2.989 123.218 120.500 -0.452 0.000 3.627 234 R HA -0.323 4.011 4.340 -0.011 0.000 0.281 234 R C 0.118 176.292 176.300 -0.210 0.000 1.140 234 R CA 1.352 57.202 56.100 -0.416 0.000 0.761 234 R CB -2.101 27.789 30.300 -0.684 0.000 1.181 234 R HN 0.948 nan 8.270 nan 0.000 0.472 235 N N -0.727 117.898 118.700 -0.126 0.000 2.177 235 N HA 0.042 4.776 4.740 -0.011 0.000 0.218 235 N C -0.083 175.384 175.510 -0.071 0.000 1.182 235 N CA -0.467 52.538 53.050 -0.074 0.000 0.882 235 N CB 0.475 38.943 38.487 -0.031 0.000 1.052 235 N HN 0.088 nan 8.380 nan 0.000 0.519 236 N N -0.124 118.529 118.700 -0.078 0.000 2.753 236 N HA -0.134 4.600 4.740 -0.011 0.000 0.251 236 N C -0.918 174.554 175.510 -0.062 0.000 1.097 236 N CA 0.603 53.614 53.050 -0.065 0.000 0.786 236 N CB -1.329 37.120 38.487 -0.064 0.000 1.137 236 N HN 0.187 nan 8.380 nan 0.000 0.566 237 V N 1.181 121.063 119.914 -0.054 0.000 2.498 237 V HA 0.402 4.516 4.120 -0.011 0.000 0.279 237 V C 0.652 176.722 176.094 -0.040 0.000 1.048 237 V CA -0.440 61.836 62.300 -0.040 0.000 0.967 237 V CB 2.061 33.886 31.823 0.002 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.473 238 V N 5.286 125.184 119.914 -0.027 0.000 2.419 238 V HA 0.441 4.554 4.120 -0.011 0.000 0.287 238 V C -0.118 175.986 176.094 0.017 0.000 1.017 238 V CA -0.842 61.419 62.300 -0.065 0.000 0.844 238 V CB 1.468 33.226 31.823 -0.107 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.941 120.616 118.700 -0.042 0.000 2.448 239 N HA 0.586 5.319 4.740 -0.011 0.000 0.274 239 N C -0.065 175.437 175.510 -0.013 0.000 1.239 239 N CA -0.307 52.737 53.050 -0.009 0.000 0.982 239 N CB 1.283 39.722 38.487 -0.080 0.000 1.199 239 N HN 0.593 nan 8.380 nan 0.000 0.576 240 T N 0.743 115.292 114.554 -0.007 0.000 2.841 240 T HA 0.401 4.744 4.350 -0.011 0.000 0.283 240 T C -0.257 174.409 174.700 -0.057 0.000 1.000 240 T CA -0.512 61.650 62.100 0.103 0.000 0.977 240 T CB 1.069 70.107 68.868 0.284 0.000 0.979 240 T HN 0.293 nan 8.240 nan 0.000 0.446 241 M N 3.745 123.280 119.600 -0.108 0.000 2.101 241 M HA 0.498 4.971 4.480 -0.011 0.000 0.340 241 M C -0.495 175.667 176.300 -0.229 0.000 1.057 241 M CA -0.745 54.404 55.300 -0.251 0.000 0.984 241 M CB 0.708 33.102 32.600 -0.343 0.000 1.560 241 M HN 0.492 nan 8.290 nan 0.000 0.435 242 R N 5.990 126.257 120.500 -0.389 0.000 2.265 242 R HA 0.618 4.952 4.340 -0.011 0.000 0.328 242 R C -1.951 174.092 176.300 -0.428 0.000 0.969 242 R CA -0.426 55.410 56.100 -0.441 0.000 0.832 242 R CB 0.849 30.730 30.300 -0.698 0.000 1.139 242 R HN 0.809 nan 8.270 nan 0.000 0.457 243 L N 4.974 126.044 121.223 -0.255 0.000 2.322 243 L HA 0.511 4.845 4.340 -0.011 0.000 0.281 243 L C -0.813 176.028 176.870 -0.048 0.000 1.014 243 L CA -0.910 53.870 54.840 -0.099 0.000 0.815 243 L CB 1.488 43.571 42.059 0.041 0.000 1.247 243 L HN 0.576 nan 8.230 nan 0.000 0.421 244 W N 1.828 123.262 121.300 0.223 0.000 2.365 244 W HA 0.495 5.149 4.660 -0.011 0.000 0.316 244 W C 0.527 177.279 176.519 0.388 0.000 1.164 244 W CA -0.207 57.293 57.345 0.258 0.000 1.204 244 W CB 1.551 31.037 29.460 0.044 0.000 1.213 244 W HN 0.345 nan 8.180 nan 0.000 0.539 245 S N 1.912 118.023 115.700 0.684 0.000 2.503 245 S HA 0.782 5.246 4.470 -0.011 0.000 0.301 245 S C -0.465 174.467 174.600 0.555 0.000 1.087 245 S CA -0.714 57.790 58.200 0.508 0.000 1.042 245 S CB 0.680 64.125 63.200 0.409 0.000 1.043 245 S HN 0.527 nan 8.310 nan 0.000 0.489 246 A N 4.746 127.729 122.820 0.272 0.000 2.366 246 A HA 0.653 4.967 4.320 -0.011 0.000 0.272 246 A C -0.145 177.498 177.584 0.098 0.000 1.135 246 A CA -0.307 51.787 52.037 0.094 0.000 0.804 246 A CB 0.362 19.149 19.000 -0.356 0.000 1.064 246 A HN 0.679 nan 8.150 nan 0.000 0.499 247 K N 1.184 121.653 120.400 0.116 0.000 2.468 247 K HA 0.587 4.901 4.320 -0.011 0.000 0.252 247 K C -0.503 176.081 176.600 -0.028 0.000 0.932 247 K CA -0.444 55.872 56.287 0.048 0.000 0.794 247 K CB 2.278 34.837 32.500 0.100 0.000 1.241 247 K HN 0.844 nan 8.250 nan 0.000 0.428 248 A N 4.282 127.017 122.820 -0.140 0.000 2.388 248 A HA 0.426 4.739 4.320 -0.011 0.000 0.257 248 A C -2.106 175.442 177.584 -0.059 0.000 1.095 248 A CA -0.973 50.905 52.037 -0.265 0.000 0.791 248 A CB -0.330 18.309 19.000 -0.601 0.000 1.029 248 A HN 0.337 nan 8.150 nan 0.000 0.489 249 P HA 0.103 nan 4.420 nan 0.000 0.272 249 P C 0.069 177.450 177.300 0.136 0.000 1.230 249 P CA -0.363 62.798 63.100 0.101 0.000 0.788 249 P CB 0.560 32.341 31.700 0.134 0.000 0.949 250 N N 0.873 119.636 118.700 0.105 0.000 2.396 250 N HA -0.112 4.621 4.740 -0.011 0.000 0.180 250 N C 0.817 176.403 175.510 0.127 0.000 1.028 250 N CA 1.020 54.133 53.050 0.105 0.000 0.893 250 N CB -0.466 38.067 38.487 0.076 0.000 0.967 250 N HN 0.555 nan 8.380 nan 0.000 0.440 251 D N -0.742 119.733 120.400 0.126 0.000 2.325 251 D HA -0.081 4.552 4.640 -0.011 0.000 0.225 251 D C 0.104 176.477 176.300 0.122 0.000 1.096 251 D CA -0.558 53.507 54.000 0.107 0.000 0.844 251 D CB -1.015 39.829 40.800 0.073 0.000 0.925 251 D HN 0.070 nan 8.370 nan 0.000 0.513 252 F N 1.992 121.958 119.950 0.026 0.000 2.602 252 F HA 0.077 4.598 4.527 -0.011 0.000 0.385 252 F C 0.745 176.552 175.800 0.011 0.000 1.063 252 F CA 0.293 58.305 58.000 0.019 0.000 1.233 252 F CB 0.124 39.135 39.000 0.019 0.000 1.067 252 F HN -0.158 nan 8.300 nan 0.000 0.564 253 N N 2.536 120.849 118.700 -0.646 0.000 2.815 253 N HA -0.274 4.460 4.740 -0.011 0.000 0.247 253 N C -0.810 174.609 175.510 -0.151 0.000 1.030 253 N CA 1.504 54.296 53.050 -0.431 0.000 0.881 253 N CB -1.249 37.018 38.487 -0.367 0.000 1.134 253 N HN 0.553 nan 8.380 nan 0.000 0.582 262 Y N 1.507 121.811 120.300 0.007 0.000 2.145 262 Y HA -0.012 4.532 4.550 -0.011 0.000 0.286 262 Y C 2.709 178.622 175.900 0.021 0.000 1.145 262 Y CA 2.284 60.392 58.100 0.013 0.000 1.148 262 Y CB -0.108 38.359 38.460 0.012 0.000 0.981 262 Y HN 0.208 nan 8.280 nan 0.000 0.507 263 I N 0.505 121.007 120.570 -0.113 0.000 2.127 263 I HA -0.308 3.856 4.170 -0.011 0.000 0.241 263 I C 2.387 178.404 176.117 -0.167 0.000 1.075 263 I CA 1.849 63.032 61.300 -0.194 0.000 1.334 263 I CB -1.398 36.594 38.000 -0.013 0.000 1.040 263 I HN 0.333 nan 8.210 nan 0.000 0.405 264 Q N 1.120 120.873 119.800 -0.079 0.000 2.135 264 Q HA -0.136 4.198 4.340 -0.011 0.000 0.204 264 Q C 2.225 178.193 176.000 -0.053 0.000 0.981 264 Q CA 2.275 58.049 55.803 -0.048 0.000 0.856 264 Q CB -0.374 28.353 28.738 -0.019 0.000 0.902 264 Q HN 0.481 nan 8.270 nan 0.000 0.425 265 A N -0.774 121.998 122.820 -0.080 0.000 1.908 265 A HA -0.155 4.158 4.320 -0.011 0.000 0.218 265 A C 2.258 179.827 177.584 -0.026 0.000 1.181 265 A CA 1.755 53.759 52.037 -0.055 0.000 0.627 265 A CB -0.846 18.116 19.000 -0.062 0.000 0.818 265 A HN 0.271 nan 8.150 nan 0.000 0.445 266 V N 0.198 120.014 119.914 -0.163 0.000 2.307 266 V HA -0.244 3.869 4.120 -0.011 0.000 0.245 266 V C 2.537 178.604 176.094 -0.044 0.000 1.045 266 V CA 1.884 64.106 62.300 -0.130 0.000 1.024 266 V CB -0.810 30.837 31.823 -0.293 0.000 0.651 266 V HN 0.571 nan 8.190 nan 0.000 0.449 267 L N -0.147 121.044 121.223 -0.053 0.000 2.131 267 L HA -0.169 4.164 4.340 -0.011 0.000 0.210 267 L C 2.044 178.930 176.870 0.027 0.000 1.092 267 L CA 1.321 56.152 54.840 -0.015 0.000 0.759 267 L CB -0.716 41.331 42.059 -0.019 0.000 0.903 267 L HN 0.331 nan 8.230 nan 0.000 0.435 268 D N -0.032 120.410 120.400 0.070 0.000 2.378 268 D HA -0.077 4.556 4.640 -0.011 0.000 0.227 268 D C 2.129 178.578 176.300 0.247 0.000 1.012 268 D CA 0.443 54.533 54.000 0.149 0.000 0.905 268 D CB -0.013 40.882 40.800 0.159 0.000 0.895 268 D HN 0.232 nan 8.370 nan 0.000 0.532 269 R N 0.256 120.837 120.500 0.136 0.000 2.159 269 R HA -0.079 4.254 4.340 -0.011 0.000 0.237 269 R C 1.694 177.880 176.300 -0.189 0.000 1.131 269 R CA 0.970 56.981 56.100 -0.149 0.000 0.982 269 R CB -0.278 29.952 30.300 -0.116 0.000 0.868 269 R HN 0.346 nan 8.270 nan 0.000 0.453 270 N N 0.275 118.941 118.700 -0.057 0.000 2.205 270 N HA -0.185 4.549 4.740 -0.011 0.000 0.186 270 N C 1.221 176.705 175.510 -0.042 0.000 1.015 270 N CA 0.700 53.726 53.050 -0.040 0.000 0.862 270 N CB -0.087 38.399 38.487 -0.002 0.000 0.986 270 N HN 0.017 nan 8.380 nan 0.000 0.429 271 L N 1.066 122.282 121.223 -0.012 0.000 2.042 271 L HA -0.139 4.195 4.340 -0.011 0.000 0.210 271 L C 2.439 179.281 176.870 -0.048 0.000 1.076 271 L CA 1.438 56.286 54.840 0.014 0.000 0.749 271 L CB -1.119 41.006 42.059 0.110 0.000 0.893 271 L HN 0.169 nan 8.230 nan 0.000 0.432 272 A N -0.884 121.837 122.820 -0.166 0.000 1.898 272 A HA -0.168 4.146 4.320 -0.011 0.000 0.216 272 A C 2.151 179.620 177.584 -0.191 0.000 1.181 272 A CA 1.393 53.295 52.037 -0.223 0.000 0.620 272 A CB -0.438 18.267 19.000 -0.492 0.000 0.819 272 A HN 0.515 nan 8.150 nan 0.000 0.442 273 E N 0.057 120.153 120.200 -0.173 0.000 2.427 273 E HA -0.079 4.264 4.350 -0.011 0.000 0.196 273 E C 1.068 177.626 176.600 -0.070 0.000 1.028 273 E CA 0.269 56.600 56.400 -0.114 0.000 0.864 273 E CB -0.145 29.506 29.700 -0.081 0.000 0.813 273 E HN 0.455 nan 8.360 nan 0.000 0.514 274 N N 1.051 119.718 118.700 -0.055 0.000 2.443 274 N HA -0.110 4.624 4.740 -0.011 0.000 0.184 274 N C 1.592 177.098 175.510 -0.008 0.000 1.037 274 N CA 0.659 53.706 53.050 -0.006 0.000 0.896 274 N CB -0.068 38.421 38.487 0.003 0.000 0.959 274 N HN 0.262 nan 8.380 nan 0.000 0.442 275 I N 0.359 120.866 120.570 -0.105 0.000 2.194 275 I HA -0.261 3.903 4.170 -0.011 0.000 0.246 275 I C 1.493 177.574 176.117 -0.059 0.000 1.093 275 I CA 1.313 62.521 61.300 -0.153 0.000 1.355 275 I CB -0.243 37.501 38.000 -0.428 0.000 1.046 275 I HN 0.131 nan 8.210 nan 0.000 0.413 276 S N -0.360 115.295 115.700 -0.076 0.000 2.622 276 S HA 0.173 4.636 4.470 -0.011 0.000 0.236 276 S C 1.496 176.230 174.600 0.222 0.000 0.956 276 S CA -0.475 57.771 58.200 0.077 0.000 0.971 276 S CB 0.175 63.406 63.200 0.051 0.000 0.782 276 S HN 0.223 nan 8.310 nan 0.000 0.468 277 R N 1.198 121.833 120.500 0.225 0.000 2.075 277 R HA 0.286 4.620 4.340 -0.011 0.000 0.226 277 R C 0.347 176.903 176.300 0.426 0.000 1.114 277 R CA 1.029 57.305 56.100 0.292 0.000 0.972 277 R CB -0.182 30.252 30.300 0.223 0.000 0.869 277 R HN 0.389 nan 8.270 nan 0.000 0.437 278 V N 0.443 120.570 119.914 0.355 0.000 2.851 278 V HA 0.345 4.458 4.120 -0.011 0.000 0.307 278 V C -1.604 174.471 176.094 -0.032 0.000 1.129 278 V CA -1.379 61.053 62.300 0.220 0.000 0.932 278 V CB 1.763 33.640 31.823 0.090 0.000 1.024 278 V HN 0.141 nan 8.190 nan 0.000 0.426 279 L N 6.974 127.950 121.223 -0.412 0.000 2.410 279 L HA 0.436 4.769 4.340 -0.011 0.000 0.273 279 L C -0.769 175.949 176.870 -0.254 0.000 1.144 279 L CA 0.486 54.879 54.840 -0.745 0.000 0.863 279 L CB 0.317 41.890 42.059 -0.811 0.000 1.140 279 L HN 0.677 nan 8.230 nan 0.000 0.463 280 Y N 7.186 127.398 120.300 -0.148 0.000 2.650 280 Y HA 0.166 4.710 4.550 -0.011 0.000 0.331 280 Y C -1.325 174.567 175.900 -0.014 0.000 1.165 280 Y CA -1.080 57.005 58.100 -0.025 0.000 1.473 280 Y CB 0.317 38.788 38.460 0.017 0.000 1.224 280 Y HN 0.577 nan 8.280 nan 0.000 0.533 281 P HA 0.027 nan 4.420 nan 0.000 0.253 281 P C -0.852 176.575 177.300 0.211 0.000 1.459 281 P CA 0.105 63.306 63.100 0.168 0.000 0.908 281 P CB 0.180 32.065 31.700 0.308 0.000 1.470 282 N N 1.333 120.168 118.700 0.226 0.000 2.499 282 N HA 0.169 4.902 4.740 -0.011 0.000 0.281 282 N C -0.633 175.016 175.510 0.231 0.000 1.098 282 N CA 0.206 53.411 53.050 0.257 0.000 0.979 282 N CB 1.112 39.795 38.487 0.327 0.000 1.121 282 N HN 0.079 nan 8.380 nan 0.000 0.466 283 D N 0.632 121.194 120.400 0.270 0.000 2.408 283 D HA 0.223 4.857 4.640 -0.011 0.000 0.243 283 D C -0.327 176.177 176.300 0.340 0.000 1.075 283 D CA -0.404 53.751 54.000 0.258 0.000 0.832 283 D CB 0.369 41.316 40.800 0.244 0.000 1.162 283 D HN 0.324 nan 8.370 nan 0.000 0.515 284 N N 2.817 121.685 118.700 0.280 0.000 2.727 284 N HA -0.250 4.484 4.740 -0.011 0.000 0.249 284 N C -1.333 174.409 175.510 0.385 0.000 1.048 284 N CA 0.753 53.962 53.050 0.264 0.000 0.714 284 N CB -0.794 37.810 38.487 0.195 0.000 0.959 284 N HN 0.389 nan 8.380 nan 0.000 0.544 285 F N 0.605 120.655 119.950 0.167 0.000 2.623 285 F HA 0.396 4.916 4.527 -0.011 0.000 0.323 285 F C -1.244 174.632 175.800 0.126 0.000 1.158 285 F CA -1.057 57.019 58.000 0.126 0.000 1.030 285 F CB 0.862 39.897 39.000 0.059 0.000 1.280 285 F HN -0.021 nan 8.300 nan 0.000 0.474 286 F N 6.198 125.723 119.950 -0.708 0.000 2.411 286 F HA 0.462 4.982 4.527 -0.011 0.000 0.350 286 F C -0.398 174.966 175.800 -0.726 0.000 1.114 286 F CA -0.093 57.560 58.000 -0.579 0.000 1.135 286 F CB 0.691 39.395 39.000 -0.493 0.000 1.120 286 F HN 0.586 nan 8.300 nan 0.000 0.495 287 E N 4.159 123.726 120.200 -1.054 0.000 2.155 287 E HA 0.317 4.661 4.350 -0.011 0.000 0.264 287 E C -0.222 175.616 176.600 -1.271 0.000 0.886 287 E CA -0.784 55.077 56.400 -0.899 0.000 0.752 287 E CB 1.446 31.003 29.700 -0.239 0.000 1.133 287 E HN 0.917 nan 8.360 nan 0.000 0.414 288 G N 5.134 113.170 108.800 -1.274 0.000 3.458 288 G HA2 0.058 4.011 3.960 -0.011 0.000 0.256 288 G HA3 0.058 4.011 3.960 -0.011 0.000 0.256 288 G C -0.087 174.737 174.900 -0.127 0.000 0.938 288 G CA -0.269 44.276 45.100 -0.926 0.000 1.890 288 G HN 0.184 nan 8.290 nan 0.000 0.639 289 K N 0.450 120.833 120.400 -0.029 0.000 2.130 289 K HA 0.195 4.508 4.320 -0.011 0.000 0.268 289 K C 0.995 177.728 176.600 0.221 0.000 0.983 289 K CA -0.669 55.689 56.287 0.118 0.000 0.893 289 K CB 2.208 34.780 32.500 0.121 0.000 1.066 289 K HN 0.418 nan 8.250 nan 0.000 0.450 290 E N 1.620 121.921 120.200 0.168 0.000 2.085 290 E HA -0.223 4.121 4.350 -0.011 0.000 0.194 290 E C 1.511 178.143 176.600 0.054 0.000 0.994 290 E CA 1.103 57.559 56.400 0.092 0.000 0.801 290 E CB 0.156 29.911 29.700 0.091 0.000 0.743 290 E HN 0.393 nan 8.360 nan 0.000 0.453 291 L N 1.324 122.619 121.223 0.121 0.000 2.079 291 L HA -0.178 4.156 4.340 -0.011 0.000 0.210 291 L C 2.462 179.423 176.870 0.153 0.000 1.081 291 L CA 1.842 56.770 54.840 0.147 0.000 0.752 291 L CB -0.557 41.653 42.059 0.252 0.000 0.896 291 L HN 0.014 nan 8.230 nan 0.000 0.433 292 R N -0.553 119.981 120.500 0.056 0.000 2.081 292 R HA -0.173 4.161 4.340 -0.011 0.000 0.235 292 R C 2.128 178.462 176.300 0.057 0.000 1.131 292 R CA 1.932 57.983 56.100 -0.083 0.000 0.960 292 R CB -1.055 28.977 30.300 -0.448 0.000 0.856 292 R HN 0.414 nan 8.270 nan 0.000 0.436 293 L N 0.899 122.079 121.223 -0.072 0.000 2.046 293 L HA -0.089 4.244 4.340 -0.011 0.000 0.208 293 L C 1.737 178.547 176.870 -0.100 0.000 1.077 293 L CA 1.911 56.504 54.840 -0.411 0.000 0.747 293 L CB -0.401 41.116 42.059 -0.904 0.000 0.896 293 L HN 0.167 nan 8.230 nan 0.000 0.432 294 K N -0.998 119.393 120.400 -0.015 0.000 2.057 294 K HA -0.203 4.110 4.320 -0.011 0.000 0.207 294 K C 2.089 178.854 176.600 0.275 0.000 1.049 294 K CA 1.801 58.152 56.287 0.107 0.000 0.931 294 K CB -0.195 32.194 32.500 -0.185 0.000 0.714 294 K HN 0.515 nan 8.250 nan 0.000 0.440 295 Q N 0.658 120.584 119.800 0.209 0.000 2.050 295 Q HA -0.196 4.138 4.340 -0.011 0.000 0.202 295 Q C 1.970 178.165 176.000 0.326 0.000 0.980 295 Q CA 1.498 57.479 55.803 0.297 0.000 0.840 295 Q CB -0.044 28.887 28.738 0.322 0.000 0.898 295 Q HN 0.390 nan 8.270 nan 0.000 0.424 296 E N -0.204 120.140 120.200 0.240 0.000 2.077 296 E HA -0.213 4.130 4.350 -0.011 0.000 0.193 296 E C 1.736 178.445 176.600 0.182 0.000 0.989 296 E CA 1.053 57.577 56.400 0.205 0.000 0.800 296 E CB -0.141 29.657 29.700 0.163 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.362 120.702 120.300 0.066 0.000 2.263 297 Y HA -0.196 4.347 4.550 -0.011 0.000 0.292 297 Y C 1.963 177.886 175.900 0.038 0.000 1.130 297 Y CA 0.989 59.080 58.100 -0.015 0.000 1.179 297 Y CB -0.344 38.063 38.460 -0.088 0.000 0.998 297 Y HN 0.010 nan 8.280 nan 0.000 0.532 298 F N -0.323 119.621 119.950 -0.010 0.000 2.065 298 F HA -0.258 4.263 4.527 -0.011 0.000 0.298 298 F C 2.472 178.123 175.800 -0.248 0.000 1.112 298 F CA 2.029 59.974 58.000 -0.091 0.000 1.212 298 F CB -1.058 38.041 39.000 0.165 0.000 0.975 298 F HN -0.051 nan 8.300 nan 0.000 0.476 299 V N -0.500 119.367 119.914 -0.078 0.000 2.358 299 V HA -0.209 3.904 4.120 -0.011 0.000 0.246 299 V C 2.221 178.156 176.094 -0.265 0.000 1.047 299 V CA 1.942 64.165 62.300 -0.128 0.000 1.035 299 V CB -0.373 31.572 31.823 0.204 0.000 0.658 299 V HN 0.260 nan 8.190 nan 0.000 0.452 300 V N 0.433 120.203 119.914 -0.240 0.000 2.295 300 V HA -0.197 3.916 4.120 -0.011 0.000 0.246 300 V C 2.797 178.626 176.094 -0.441 0.000 1.049 300 V CA 2.182 64.324 62.300 -0.263 0.000 1.024 300 V CB -1.123 30.608 31.823 -0.153 0.000 0.648 300 V HN 0.644 nan 8.190 nan 0.000 0.447 301 A N -0.164 122.221 122.820 -0.724 0.000 1.877 301 A HA -0.099 4.214 4.320 -0.011 0.000 0.216 301 A C 2.409 179.612 177.584 -0.634 0.000 1.186 301 A CA 2.115 53.720 52.037 -0.720 0.000 0.620 301 A CB -0.838 17.525 19.000 -1.062 0.000 0.822 301 A HN 0.564 nan 8.150 nan 0.000 0.443 302 A N -1.060 121.220 122.820 -0.899 0.000 1.898 302 A HA -0.066 4.247 4.320 -0.011 0.000 0.216 302 A C 2.318 179.387 177.584 -0.858 0.000 1.181 302 A CA 2.296 53.615 52.037 -1.195 0.000 0.620 302 A CB -1.292 16.340 19.000 -2.279 0.000 0.819 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.486 114.664 114.554 -0.625 0.000 2.674 303 T HA -0.107 4.237 4.350 -0.011 0.000 0.265 303 T C 1.840 176.261 174.700 -0.464 0.000 1.039 303 T CA 1.500 63.346 62.100 -0.424 0.000 1.150 303 T CB -0.409 68.212 68.868 -0.411 0.000 0.864 303 T HN 0.339 nan 8.240 nan 0.000 0.427 304 L N 0.686 121.687 121.223 -0.371 0.000 2.083 304 L HA -0.172 4.162 4.340 -0.011 0.000 0.209 304 L C 2.948 179.698 176.870 -0.200 0.000 1.083 304 L CA 1.417 56.096 54.840 -0.269 0.000 0.752 304 L CB -0.512 41.428 42.059 -0.197 0.000 0.899 304 L HN 0.355 nan 8.230 nan 0.000 0.433 305 Q N -0.580 119.098 119.800 -0.204 0.000 2.084 305 Q HA -0.262 4.072 4.340 -0.011 0.000 0.202 305 Q C 1.797 177.760 176.000 -0.062 0.000 0.978 305 Q CA 1.865 57.598 55.803 -0.116 0.000 0.844 305 Q CB -0.108 28.547 28.738 -0.138 0.000 0.898 305 Q HN 0.410 nan 8.270 nan 0.000 0.426 306 D N 0.399 120.754 120.400 -0.075 0.000 2.117 306 D HA -0.104 4.529 4.640 -0.011 0.000 0.198 306 D C 1.660 177.909 176.300 -0.085 0.000 0.982 306 D CA 0.861 54.869 54.000 0.014 0.000 0.828 306 D CB -0.022 40.908 40.800 0.217 0.000 0.967 306 D HN 0.159 nan 8.370 nan 0.000 0.464 307 I N 0.095 120.506 120.570 -0.265 0.000 2.179 307 I HA -0.250 3.914 4.170 -0.011 0.000 0.242 307 I C 2.310 178.433 176.117 0.011 0.000 1.088 307 I CA 0.803 61.890 61.300 -0.354 0.000 1.357 307 I CB -0.178 37.450 38.000 -0.621 0.000 1.051 307 I HN 0.063 nan 8.210 nan 0.000 0.409 308 I N 0.258 120.886 120.570 0.096 0.000 2.252 308 I HA -0.292 3.871 4.170 -0.011 0.000 0.245 308 I C 2.775 179.047 176.117 0.257 0.000 1.102 308 I CA 1.195 62.661 61.300 0.277 0.000 1.385 308 I CB -0.382 37.729 38.000 0.186 0.000 1.064 308 I HN 0.181 nan 8.210 nan 0.000 0.414 309 R N 1.168 121.751 120.500 0.138 0.000 2.083 309 R HA -0.231 4.103 4.340 -0.011 0.000 0.237 309 R C 2.503 178.870 176.300 0.111 0.000 1.137 309 R CA 1.792 57.959 56.100 0.113 0.000 0.951 309 R CB -0.276 30.072 30.300 0.080 0.000 0.851 309 R HN 0.190 nan 8.270 nan 0.000 0.434 310 R N -0.663 119.898 120.500 0.101 0.000 2.096 310 R HA -0.161 4.172 4.340 -0.011 0.000 0.235 310 R C 2.132 178.525 176.300 0.154 0.000 1.127 310 R CA 1.640 57.803 56.100 0.105 0.000 0.968 310 R CB -0.355 29.990 30.300 0.074 0.000 0.861 310 R HN 0.314 nan 8.270 nan 0.000 0.440 311 F N 1.456 121.441 119.950 0.060 0.000 2.146 311 F HA -0.110 4.410 4.527 -0.011 0.000 0.298 311 F C 1.703 177.515 175.800 0.020 0.000 1.096 311 F CA 1.545 59.576 58.000 0.051 0.000 1.275 311 F CB 0.031 39.115 39.000 0.140 0.000 1.008 311 F HN -0.131 nan 8.300 nan 0.000 0.480 312 K N -0.374 120.006 120.400 -0.034 0.000 2.148 312 K HA -0.055 4.258 4.320 -0.011 0.000 0.204 312 K C 1.941 178.463 176.600 -0.130 0.000 1.050 312 K CA 1.389 57.579 56.287 -0.161 0.000 0.942 312 K CB -0.247 32.259 32.500 0.010 0.000 0.724 312 K HN 0.157 nan 8.250 nan 0.000 0.446 313 S N 0.957 116.639 115.700 -0.029 0.000 2.593 313 S HA -0.001 4.462 4.470 -0.011 0.000 0.217 313 S C 0.717 175.357 174.600 0.066 0.000 0.966 313 S CA -0.083 58.139 58.200 0.036 0.000 0.914 313 S CB 0.078 63.331 63.200 0.088 0.000 0.776 313 S HN 0.338 nan 8.310 nan 0.000 0.523 314 S N 1.457 117.127 115.700 -0.050 0.000 2.655 314 S HA 0.710 5.173 4.470 -0.011 0.000 0.265 314 S C -0.167 174.304 174.600 -0.214 0.000 1.240 314 S CA -0.342 57.794 58.200 -0.106 0.000 0.986 314 S CB 0.822 63.945 63.200 -0.129 0.000 0.985 314 S HN 0.088 nan 8.310 nan 0.000 0.562 324 T N 2.024 116.569 114.554 -0.015 0.000 2.779 324 T HA 0.198 4.541 4.350 -0.011 0.000 0.296 324 T C -0.525 174.117 174.700 -0.097 0.000 0.938 324 T CA -0.264 61.771 62.100 -0.109 0.000 1.119 324 T CB 0.328 69.106 68.868 -0.148 0.000 0.891 324 T HN 0.262 nan 8.240 nan 0.000 0.526 325 N N 4.910 123.553 118.700 -0.094 0.000 2.558 325 N HA 0.234 4.967 4.740 -0.011 0.000 0.233 325 N C 0.105 175.668 175.510 0.089 0.000 1.038 325 N CA -0.772 52.294 53.050 0.028 0.000 0.934 325 N CB -0.237 38.278 38.487 0.046 0.000 1.175 325 N HN 0.577 nan 8.380 nan 0.000 0.512 326 F N 1.004 121.066 119.950 0.186 0.000 2.661 326 F HA 0.069 4.590 4.527 -0.011 0.000 0.298 326 F C 1.378 177.235 175.800 0.094 0.000 1.137 326 F CA 0.224 58.291 58.000 0.113 0.000 1.454 326 F CB 0.205 39.169 39.000 -0.061 0.000 1.103 326 F HN 0.424 nan 8.300 nan 0.000 0.577 327 D N 0.309 120.847 120.400 0.230 0.000 2.182 327 D HA -0.167 4.467 4.640 -0.011 0.000 0.201 327 D C 2.131 178.519 176.300 0.147 0.000 0.986 327 D CA 1.312 55.404 54.000 0.154 0.000 0.847 327 D CB -0.222 40.644 40.800 0.111 0.000 0.942 327 D HN 0.231 nan 8.370 nan 0.000 0.467 328 A N -0.795 122.135 122.820 0.183 0.000 2.251 328 A HA 0.116 4.430 4.320 -0.011 0.000 0.209 328 A C 1.568 179.257 177.584 0.175 0.000 1.187 328 A CA -0.303 51.837 52.037 0.172 0.000 0.823 328 A CB -0.788 18.321 19.000 0.182 0.000 0.846 328 A HN 0.215 nan 8.150 nan 0.000 0.486 329 F N 1.971 121.882 119.950 -0.065 0.000 2.065 329 F HA -0.143 4.378 4.527 -0.010 0.000 0.298 329 F C -0.772 174.916 175.800 -0.187 0.000 1.112 329 F CA 2.538 60.307 58.000 -0.385 0.000 1.212 329 F CB -0.521 38.271 39.000 -0.348 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.091 nan 4.420 nan 0.000 0.226 330 P C 0.671 177.922 177.300 -0.082 0.000 1.153 330 P CA 1.368 64.427 63.100 -0.068 0.000 0.777 330 P CB -0.091 31.603 31.700 -0.009 0.000 0.794 331 D N -0.683 119.690 120.400 -0.045 0.000 2.277 331 D HA -0.039 4.594 4.640 -0.011 0.000 0.208 331 D C 1.490 177.770 176.300 -0.033 0.000 0.962 331 D CA 0.942 54.930 54.000 -0.020 0.000 0.865 331 D CB 0.108 40.918 40.800 0.017 0.000 0.939 331 D HN 0.151 nan 8.370 nan 0.000 0.510 332 K N -0.022 120.333 120.400 -0.075 0.000 2.402 332 K HA 0.214 4.527 4.320 -0.011 0.000 0.203 332 K C -0.136 176.372 176.600 -0.153 0.000 1.077 332 K CA 0.058 56.313 56.287 -0.053 0.000 1.051 332 K CB 2.386 34.957 32.500 0.120 0.000 0.907 332 K HN -0.068 nan 8.250 nan 0.000 0.554 333 V N 1.099 120.833 119.914 -0.300 0.000 2.623 333 V HA 0.598 4.711 4.120 -0.011 0.000 0.304 333 V C -1.058 174.934 176.094 -0.169 0.000 1.054 333 V CA -1.259 60.858 62.300 -0.305 0.000 0.882 333 V CB 1.789 33.117 31.823 -0.824 0.000 1.002 333 V HN 0.117 nan 8.190 nan 0.000 0.424 334 A N 5.821 128.593 122.820 -0.081 0.000 2.343 334 A HA 0.933 5.247 4.320 -0.011 0.000 0.316 334 A C -0.940 176.664 177.584 0.033 0.000 1.104 334 A CA -0.504 51.521 52.037 -0.020 0.000 0.768 334 A CB 1.008 19.947 19.000 -0.102 0.000 1.213 334 A HN 0.773 nan 8.150 nan 0.000 0.456 335 I N 1.806 122.441 120.570 0.108 0.000 2.382 335 I HA 0.298 4.461 4.170 -0.011 0.000 0.286 335 I C -0.330 175.874 176.117 0.145 0.000 1.002 335 I CA -0.543 60.834 61.300 0.129 0.000 1.135 335 I CB 1.942 40.002 38.000 0.100 0.000 1.288 335 I HN 0.699 nan 8.210 nan 0.000 0.448 336 Q N 6.728 126.610 119.800 0.137 0.000 2.314 336 Q HA 0.517 4.851 4.340 -0.011 0.000 0.259 336 Q C -1.348 174.642 176.000 -0.017 0.000 0.951 336 Q CA -0.263 55.645 55.803 0.175 0.000 0.909 336 Q CB 1.363 30.319 28.738 0.362 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.790 125.044 121.223 0.052 0.000 2.255 337 L HA 0.405 4.738 4.340 -0.011 0.000 0.289 337 L C 0.008 176.896 176.870 0.031 0.000 1.046 337 L CA -0.757 54.105 54.840 0.036 0.000 0.816 337 L CB 0.714 42.845 42.059 0.120 0.000 1.197 337 L HN 0.566 nan 8.230 nan 0.000 0.427 338 N N 3.472 122.112 118.700 -0.099 0.000 2.448 338 N HA 0.102 4.835 4.740 -0.011 0.000 0.250 338 N C -0.201 175.325 175.510 0.026 0.000 1.136 338 N CA 0.419 53.468 53.050 -0.003 0.000 0.953 338 N CB -0.026 38.388 38.487 -0.122 0.000 1.251 338 N HN 0.667 nan 8.380 nan 0.000 0.502 339 D N -0.276 120.238 120.400 0.190 0.000 4.136 339 D HA -0.249 4.384 4.640 -0.011 0.000 0.291 339 D C 0.419 176.809 176.300 0.150 0.000 2.238 339 D CA 1.952 56.047 54.000 0.157 0.000 1.141 339 D CB -0.369 40.288 40.800 -0.238 0.000 1.027 339 D HN 0.519 nan 8.370 nan 0.000 1.223 340 T N -3.109 111.476 114.554 0.052 0.000 3.129 340 T HA 0.100 4.443 4.350 -0.011 0.000 0.251 340 T C 1.486 176.259 174.700 0.123 0.000 1.117 340 T CA 1.410 63.522 62.100 0.021 0.000 1.034 340 T CB -0.509 68.341 68.868 -0.031 0.000 0.968 340 T HN 0.528 nan 8.240 nan 0.000 0.526 341 H N 2.640 121.796 119.070 0.144 0.000 2.353 341 H HA -0.008 4.542 4.556 -0.011 0.000 0.298 341 H C -0.874 174.540 175.328 0.143 0.000 1.103 341 H CA 0.998 57.146 56.048 0.166 0.000 1.293 341 H CB -0.959 28.903 29.762 0.167 0.000 1.372 341 H HN 0.437 nan 8.280 nan 0.000 0.501 342 P HA 0.082 nan 4.420 nan 0.000 0.254 342 P C 0.690 178.030 177.300 0.066 0.000 1.620 342 P CA 0.322 63.499 63.100 0.128 0.000 1.050 342 P CB 0.287 32.052 31.700 0.108 0.000 1.539 343 S N -0.250 115.482 115.700 0.053 0.000 2.440 343 S HA -0.136 4.328 4.470 -0.011 0.000 0.238 343 S C 1.747 176.344 174.600 -0.005 0.000 1.010 343 S CA 0.807 58.999 58.200 -0.014 0.000 0.972 343 S CB -1.482 61.686 63.200 -0.053 0.000 0.774 343 S HN 0.162 nan 8.310 nan 0.000 0.501 344 L N 1.029 122.261 121.223 0.016 0.000 2.450 344 L HA 0.005 4.338 4.340 -0.011 0.000 0.224 344 L C 2.925 179.820 176.870 0.042 0.000 1.149 344 L CA 0.612 55.461 54.840 0.014 0.000 0.816 344 L CB -0.785 41.276 42.059 0.003 0.000 0.932 344 L HN 0.469 nan 8.230 nan 0.000 0.449 345 A N 0.631 123.460 122.820 0.016 0.000 1.940 345 A HA -0.214 4.100 4.320 -0.011 0.000 0.219 345 A C 2.176 179.758 177.584 -0.003 0.000 1.176 345 A CA 1.594 53.628 52.037 -0.005 0.000 0.631 345 A CB -0.479 18.511 19.000 -0.016 0.000 0.814 345 A HN 0.374 nan 8.150 nan 0.000 0.446 346 I N 0.246 120.816 120.570 -0.000 0.000 2.113 346 I HA -0.148 4.016 4.170 -0.011 0.000 0.238 346 I C -0.346 175.792 176.117 0.035 0.000 1.070 346 I CA 1.612 62.913 61.300 0.002 0.000 1.332 346 I CB -0.993 37.009 38.000 0.004 0.000 1.044 346 I HN 0.248 nan 8.210 nan 0.000 0.402 347 P HA -0.165 nan 4.420 nan 0.000 0.221 347 P C 1.276 178.612 177.300 0.059 0.000 1.150 347 P CA 1.456 64.594 63.100 0.064 0.000 0.800 347 P CB 0.031 31.789 31.700 0.097 0.000 0.787 348 E N 0.237 120.532 120.200 0.159 0.000 2.072 348 E HA -0.155 4.189 4.350 -0.011 0.000 0.191 348 E C 1.920 178.512 176.600 -0.013 0.000 0.985 348 E CA 0.709 57.215 56.400 0.178 0.000 0.801 348 E CB -1.198 28.646 29.700 0.239 0.000 0.750 348 E HN -0.013 nan 8.360 nan 0.000 0.452 349 L N 0.012 121.197 121.223 -0.064 0.000 2.046 349 L HA -0.110 4.224 4.340 -0.011 0.000 0.208 349 L C 2.106 178.843 176.870 -0.221 0.000 1.077 349 L CA 1.770 56.515 54.840 -0.158 0.000 0.747 349 L CB -0.608 41.362 42.059 -0.149 0.000 0.896 349 L HN 0.248 nan 8.230 nan 0.000 0.432 350 M N -0.829 118.655 119.600 -0.193 0.000 2.108 350 M HA -0.237 4.236 4.480 -0.011 0.000 0.261 350 M C 2.425 178.566 176.300 -0.264 0.000 1.066 350 M CA 1.596 56.729 55.300 -0.280 0.000 1.107 350 M CB -1.251 31.165 32.600 -0.308 0.000 1.356 350 M HN 0.331 nan 8.290 nan 0.000 0.406 351 R N 0.082 120.453 120.500 -0.216 0.000 2.080 351 R HA -0.140 4.194 4.340 -0.011 0.000 0.236 351 R C 2.086 178.283 176.300 -0.172 0.000 1.137 351 R CA 1.797 57.770 56.100 -0.212 0.000 0.943 351 R CB -0.227 29.899 30.300 -0.290 0.000 0.846 351 R HN 0.218 nan 8.270 nan 0.000 0.431 352 V N 1.481 121.292 119.914 -0.170 0.000 2.295 352 V HA -0.262 3.852 4.120 -0.011 0.000 0.246 352 V C 2.414 178.347 176.094 -0.268 0.000 1.049 352 V CA 1.781 63.972 62.300 -0.182 0.000 1.024 352 V CB -0.423 31.289 31.823 -0.184 0.000 0.648 352 V HN 0.348 nan 8.190 nan 0.000 0.447 353 L N -0.691 120.316 121.223 -0.361 0.000 2.056 353 L HA -0.110 4.223 4.340 -0.011 0.000 0.207 353 L C 2.390 179.083 176.870 -0.296 0.000 1.078 353 L CA 1.046 55.611 54.840 -0.458 0.000 0.749 353 L CB -0.589 41.157 42.059 -0.522 0.000 0.901 353 L HN 0.204 nan 8.230 nan 0.000 0.433 354 V N -0.500 119.280 119.914 -0.222 0.000 2.300 354 V HA -0.183 3.931 4.120 -0.011 0.000 0.241 354 V C 1.966 178.015 176.094 -0.074 0.000 1.034 354 V CA 1.702 63.931 62.300 -0.119 0.000 1.021 354 V CB -0.369 31.412 31.823 -0.070 0.000 0.662 354 V HN 0.344 nan 8.190 nan 0.000 0.458 355 D N -0.078 120.273 120.400 -0.081 0.000 2.149 355 D HA -0.009 4.624 4.640 -0.011 0.000 0.201 355 D C 2.011 178.281 176.300 -0.049 0.000 0.972 355 D CA 1.153 55.122 54.000 -0.051 0.000 0.835 355 D CB 0.090 40.857 40.800 -0.055 0.000 0.966 355 D HN 0.333 nan 8.370 nan 0.000 0.476 356 L N 0.100 121.278 121.223 -0.075 0.000 2.362 356 L HA 0.127 4.461 4.340 -0.011 0.000 0.204 356 L C 1.811 178.648 176.870 -0.054 0.000 1.060 356 L CA 0.444 55.251 54.840 -0.056 0.000 0.827 356 L CB 0.087 42.114 42.059 -0.055 0.000 1.027 356 L HN -0.189 nan 8.230 nan 0.000 0.474 357 E N 0.487 120.621 120.200 -0.110 0.000 2.447 357 E HA 0.041 4.385 4.350 -0.011 0.000 0.195 357 E C 0.061 176.624 176.600 -0.062 0.000 1.028 357 E CA -0.046 56.296 56.400 -0.096 0.000 0.876 357 E CB 0.361 29.892 29.700 -0.281 0.000 0.885 357 E HN 0.207 nan 8.360 nan 0.000 0.500 358 R N -0.135 120.325 120.500 -0.066 0.000 3.651 358 R HA -0.186 4.148 4.340 -0.011 0.000 0.292 358 R C -0.349 175.937 176.300 -0.023 0.000 1.161 358 R CA 0.263 56.347 56.100 -0.027 0.000 0.787 358 R CB -2.810 27.492 30.300 0.002 0.000 1.249 358 R HN 0.077 nan 8.270 nan 0.000 0.476 359 L N 2.062 123.244 121.223 -0.068 0.000 2.436 359 L HA 0.154 4.488 4.340 -0.011 0.000 0.265 359 L C 1.468 178.333 176.870 -0.008 0.000 1.168 359 L CA 0.221 55.032 54.840 -0.049 0.000 0.815 359 L CB 0.407 42.393 42.059 -0.122 0.000 1.109 359 L HN 0.137 nan 8.230 nan 0.000 0.462 360 D N 0.709 121.128 120.400 0.031 0.000 2.362 360 D HA -0.135 4.499 4.640 -0.011 0.000 0.242 360 D C 0.903 177.273 176.300 0.116 0.000 1.132 360 D CA -0.529 53.523 54.000 0.087 0.000 0.907 360 D CB 0.756 41.613 40.800 0.094 0.000 1.195 360 D HN 0.618 nan 8.370 nan 0.000 0.429 361 W N 2.012 123.315 121.300 0.004 0.000 2.317 361 W HA -0.238 4.416 4.660 -0.011 0.000 0.318 361 W C 1.025 177.587 176.519 0.070 0.000 1.227 361 W CA 1.950 59.304 57.345 0.014 0.000 1.269 361 W CB -0.291 29.157 29.460 -0.019 0.000 1.155 361 W HN 0.460 nan 8.180 nan 0.000 0.484 362 D N 0.278 120.881 120.400 0.339 0.000 2.117 362 D HA -0.198 4.435 4.640 -0.011 0.000 0.197 362 D C 1.889 178.293 176.300 0.173 0.000 0.987 362 D CA 1.942 56.115 54.000 0.289 0.000 0.829 362 D CB -0.435 40.504 40.800 0.232 0.000 0.961 362 D HN 0.078 nan 8.370 nan 0.000 0.460 363 K N 1.204 121.664 120.400 0.100 0.000 2.057 363 K HA 0.006 4.320 4.320 -0.011 0.000 0.206 363 K C 1.842 178.434 176.600 -0.013 0.000 1.050 363 K CA 1.472 57.789 56.287 0.050 0.000 0.935 363 K CB -0.579 31.946 32.500 0.041 0.000 0.715 363 K HN -0.002 nan 8.250 nan 0.000 0.439 364 A N 0.588 123.358 122.820 -0.084 0.000 1.908 364 A HA -0.192 4.122 4.320 -0.011 0.000 0.218 364 A C 2.264 179.758 177.584 -0.150 0.000 1.181 364 A CA 1.537 53.458 52.037 -0.193 0.000 0.627 364 A CB -1.223 17.594 19.000 -0.305 0.000 0.818 364 A HN 0.703 nan 8.150 nan 0.000 0.445 365 W N 0.606 121.700 121.300 -0.344 0.000 2.358 365 W HA -0.170 4.483 4.660 -0.010 0.000 0.303 365 W C 1.993 178.455 176.519 -0.095 0.000 1.208 365 W CA 1.770 58.961 57.345 -0.256 0.000 1.274 365 W CB -0.099 29.248 29.460 -0.188 0.000 1.138 365 W HN 0.622 nan 8.180 nan 0.000 0.515 366 E N 0.127 120.321 120.200 -0.011 0.000 2.085 366 E HA -0.226 4.118 4.350 -0.011 0.000 0.194 366 E C 2.029 178.557 176.600 -0.120 0.000 0.994 366 E CA 1.906 58.263 56.400 -0.072 0.000 0.801 366 E CB -0.317 29.398 29.700 0.025 0.000 0.743 366 E HN 0.053 nan 8.360 nan 0.000 0.453 367 V N 0.678 120.536 119.914 -0.093 0.000 2.295 367 V HA -0.247 3.866 4.120 -0.011 0.000 0.246 367 V C 2.376 178.411 176.094 -0.098 0.000 1.049 367 V CA 2.168 64.432 62.300 -0.059 0.000 1.024 367 V CB -0.717 31.070 31.823 -0.061 0.000 0.648 367 V HN 0.395 nan 8.190 nan 0.000 0.447 368 T N 0.021 114.448 114.554 -0.213 0.000 2.708 368 T HA -0.176 4.167 4.350 -0.011 0.000 0.266 368 T C 1.954 176.477 174.700 -0.296 0.000 1.037 368 T CA 1.749 63.696 62.100 -0.254 0.000 1.146 368 T CB -0.286 68.383 68.868 -0.331 0.000 0.865 368 T HN 0.271 nan 8.240 nan 0.000 0.435 369 V N 1.461 121.083 119.914 -0.486 0.000 2.295 369 V HA -0.187 3.927 4.120 -0.011 0.000 0.246 369 V C 2.373 178.421 176.094 -0.076 0.000 1.049 369 V CA 1.679 63.749 62.300 -0.384 0.000 1.024 369 V CB -0.499 31.017 31.823 -0.512 0.000 0.648 369 V HN 0.463 nan 8.190 nan 0.000 0.447 370 K N -0.488 119.853 120.400 -0.099 0.000 2.283 370 K HA -0.099 4.214 4.320 -0.011 0.000 0.202 370 K C 2.086 178.661 176.600 -0.042 0.000 1.048 370 K CA 1.559 57.771 56.287 -0.125 0.000 0.948 370 K CB -0.230 32.196 32.500 -0.125 0.000 0.742 370 K HN 0.477 nan 8.250 nan 0.000 0.458 371 T N 0.137 114.723 114.554 0.052 0.000 2.976 371 T HA 0.014 4.358 4.350 -0.011 0.000 0.257 371 T C 0.883 175.690 174.700 0.179 0.000 1.051 371 T CA 0.438 62.602 62.100 0.108 0.000 1.141 371 T CB 0.108 69.067 68.868 0.153 0.000 0.881 371 T HN 0.166 nan 8.240 nan 0.000 0.461 372 C N 2.297 121.688 119.300 0.152 0.000 2.365 372 C HA 0.890 5.343 4.460 -0.011 0.000 0.351 372 C C 0.556 175.594 174.990 0.080 0.000 1.240 372 C CA -1.232 57.850 59.018 0.105 0.000 2.062 372 C CB 0.200 27.943 27.740 0.006 0.000 2.387 372 C HN 0.590 nan 8.230 nan 0.000 0.537 373 A N 2.160 125.022 122.820 0.071 0.000 2.498 373 A HA 0.794 5.108 4.320 -0.011 0.000 0.298 373 A C -1.588 176.063 177.584 0.113 0.000 1.075 373 A CA -0.436 51.591 52.037 -0.017 0.000 0.714 373 A CB 1.108 20.089 19.000 -0.032 0.000 1.299 373 A HN 0.951 nan 8.150 nan 0.000 0.407 374 Y N 0.902 121.149 120.300 -0.088 0.000 2.391 374 Y HA 0.631 5.174 4.550 -0.010 0.000 0.341 374 Y C -0.595 175.284 175.900 -0.035 0.000 0.965 374 Y CA -0.336 57.724 58.100 -0.066 0.000 1.067 374 Y CB 2.092 40.471 38.460 -0.135 0.000 1.199 374 Y HN 0.569 nan 8.280 nan 0.000 0.450 375 T N 6.519 120.854 114.554 -0.365 0.000 2.758 375 T HA 0.186 4.529 4.350 -0.011 0.000 0.285 375 T C -0.748 173.497 174.700 -0.759 0.000 0.981 375 T CA -0.787 61.037 62.100 -0.459 0.000 0.965 375 T CB 0.414 69.245 68.868 -0.062 0.000 0.927 375 T HN 0.650 nan 8.240 nan 0.000 0.448 376 N N 1.839 120.088 118.700 -0.752 0.000 2.479 376 N HA 0.124 4.858 4.740 -0.011 0.000 0.285 376 N C 0.086 175.480 175.510 -0.193 0.000 1.075 376 N CA -0.299 52.551 53.050 -0.334 0.000 0.967 376 N CB 0.773 39.236 38.487 -0.041 0.000 1.137 376 N HN 0.662 nan 8.380 nan 0.000 0.472 377 H N 0.940 120.043 119.070 0.054 0.000 2.893 377 H HA 0.163 4.712 4.556 -0.011 0.000 0.270 377 H C -0.171 175.079 175.328 -0.131 0.000 1.095 377 H CA 0.052 56.077 56.048 -0.038 0.000 1.186 377 H CB 1.170 30.916 29.762 -0.026 0.000 1.562 377 H HN 0.532 nan 8.280 nan 0.000 0.536 378 T N 0.201 114.789 114.554 0.056 0.000 2.886 378 T HA 0.219 4.563 4.350 -0.011 0.000 0.330 378 T C 0.316 175.045 174.700 0.049 0.000 1.488 378 T CA -0.361 61.723 62.100 -0.028 0.000 1.054 378 T CB 1.329 70.167 68.868 -0.049 0.000 1.348 378 T HN -0.043 nan 8.240 nan 0.000 0.489 379 V N 1.842 121.746 119.914 -0.016 0.000 3.528 379 V HA 0.564 4.678 4.120 -0.011 0.000 0.294 379 V C 0.524 176.581 176.094 -0.062 0.000 1.404 379 V CA 0.003 62.276 62.300 -0.044 0.000 1.065 379 V CB -0.478 31.315 31.823 -0.050 0.000 0.904 379 V HN 0.679 nan 8.190 nan 0.000 0.435 380 L N 2.975 124.152 121.223 -0.077 0.000 2.477 380 L HA 0.256 4.590 4.340 -0.011 0.000 0.272 380 L C -0.622 176.247 176.870 -0.001 0.000 1.157 380 L CA -1.114 53.702 54.840 -0.040 0.000 0.889 380 L CB 0.855 42.868 42.059 -0.077 0.000 1.158 380 L HN 0.121 nan 8.230 nan 0.000 0.473 381 P HA -0.207 nan 4.420 nan 0.000 0.218 381 P C 0.972 178.276 177.300 0.006 0.000 1.148 381 P CA 1.184 64.285 63.100 0.003 0.000 0.822 381 P CB 0.053 31.759 31.700 0.011 0.000 0.784 382 E N 0.379 120.612 120.200 0.055 0.000 2.409 382 E HA -0.067 4.277 4.350 -0.011 0.000 0.198 382 E C 1.599 178.188 176.600 -0.019 0.000 1.024 382 E CA 1.115 57.542 56.400 0.044 0.000 0.861 382 E CB -0.755 29.068 29.700 0.204 0.000 0.788 382 E HN 0.200 nan 8.360 nan 0.000 0.521 383 A N 1.292 124.131 122.820 0.031 0.000 2.195 383 A HA 0.225 4.538 4.320 -0.011 0.000 0.210 383 A C 1.352 178.929 177.584 -0.013 0.000 1.165 383 A CA -0.280 51.786 52.037 0.049 0.000 0.806 383 A CB -0.058 18.992 19.000 0.083 0.000 0.847 383 A HN 0.145 nan 8.150 nan 0.000 0.482 384 L N 1.559 122.729 121.223 -0.088 0.000 2.367 384 L HA 0.146 4.480 4.340 -0.011 0.000 0.275 384 L C -0.164 176.383 176.870 -0.537 0.000 1.129 384 L CA -0.127 54.599 54.840 -0.189 0.000 0.839 384 L CB 0.531 42.509 42.059 -0.134 0.000 1.133 384 L HN 0.343 nan 8.230 nan 0.000 0.453 385 E N 4.471 124.263 120.200 -0.680 0.000 2.217 385 E HA 0.210 4.554 4.350 -0.011 0.000 0.279 385 E C -0.559 175.410 176.600 -1.052 0.000 1.068 385 E CA -0.144 55.402 56.400 -1.423 0.000 0.882 385 E CB 0.673 29.890 29.700 -0.806 0.000 1.039 385 E HN 0.407 nan 8.360 nan 0.000 0.418 386 R N 3.804 123.550 120.500 -1.256 0.000 2.407 386 R HA 0.192 4.526 4.340 -0.011 0.000 0.298 386 R C -1.186 174.924 176.300 -0.317 0.000 1.166 386 R CA -0.574 55.216 56.100 -0.516 0.000 1.006 386 R CB 0.843 30.974 30.300 -0.282 0.000 1.145 386 R HN 0.449 nan 8.270 nan 0.000 0.538 387 W N 4.469 125.710 121.300 -0.098 0.000 2.311 387 W HA 0.263 4.916 4.660 -0.011 0.000 0.310 387 W C -1.897 174.603 176.519 -0.031 0.000 1.274 387 W CA -2.111 55.243 57.345 0.015 0.000 1.215 387 W CB 0.757 30.203 29.460 -0.024 0.000 1.227 387 W HN 0.255 nan 8.180 nan 0.000 0.523 388 P HA -0.094 nan 4.420 nan 0.000 0.264 388 P C 0.800 178.068 177.300 -0.054 0.000 1.193 388 P CA 0.220 63.326 63.100 0.010 0.000 0.763 388 P CB 0.734 32.306 31.700 -0.214 0.000 0.810 389 V N 3.302 123.232 119.914 0.025 0.000 2.392 389 V HA -0.295 3.819 4.120 -0.011 0.000 0.249 389 V C 2.165 178.274 176.094 0.025 0.000 1.059 389 V CA 2.594 64.919 62.300 0.042 0.000 1.051 389 V CB -1.719 30.186 31.823 0.137 0.000 0.658 389 V HN 0.768 nan 8.190 nan 0.000 0.455 390 H N -0.951 118.177 119.070 0.096 0.000 2.421 390 H HA -0.107 4.442 4.556 -0.011 0.000 0.298 390 H C 2.040 177.416 175.328 0.080 0.000 1.087 390 H CA 1.736 57.835 56.048 0.086 0.000 1.330 390 H CB -0.605 29.209 29.762 0.087 0.000 1.388 390 H HN 0.354 nan 8.280 nan 0.000 0.526 391 L N -0.026 121.005 121.223 -0.320 0.000 2.027 391 L HA -0.115 4.218 4.340 -0.011 0.000 0.206 391 L C 2.424 179.237 176.870 -0.094 0.000 1.074 391 L CA 1.173 55.936 54.840 -0.129 0.000 0.745 391 L CB -0.274 41.706 42.059 -0.133 0.000 0.898 391 L HN 0.332 nan 8.230 nan 0.000 0.433 392 L N -0.686 120.461 121.223 -0.126 0.000 2.141 392 L HA -0.220 4.113 4.340 -0.011 0.000 0.209 392 L C 2.460 179.261 176.870 -0.115 0.000 1.094 392 L CA 1.003 55.743 54.840 -0.166 0.000 0.763 392 L CB -0.385 41.565 42.059 -0.182 0.000 0.908 392 L HN 0.305 nan 8.230 nan 0.000 0.437 393 E N -0.331 119.845 120.200 -0.041 0.000 2.058 393 E HA -0.213 4.131 4.350 -0.011 0.000 0.194 393 E C 1.951 178.581 176.600 0.050 0.000 0.997 393 E CA 1.962 58.370 56.400 0.013 0.000 0.801 393 E CB 0.138 29.887 29.700 0.081 0.000 0.746 393 E HN 0.402 nan 8.360 nan 0.000 0.450 394 T N 0.640 115.247 114.554 0.089 0.000 2.809 394 T HA -0.084 4.260 4.350 -0.011 0.000 0.260 394 T C 1.705 176.500 174.700 0.157 0.000 1.039 394 T CA 0.773 62.976 62.100 0.171 0.000 1.141 394 T CB -0.131 68.874 68.868 0.227 0.000 0.869 394 T HN 0.065 nan 8.240 nan 0.000 0.437 395 L N 0.009 121.225 121.223 -0.012 0.000 2.127 395 L HA 0.352 4.685 4.340 -0.011 0.000 0.203 395 L C 0.440 177.240 176.870 -0.117 0.000 1.080 395 L CA 1.601 56.318 54.840 -0.206 0.000 0.768 395 L CB -0.000 41.910 42.059 -0.249 0.000 0.924 395 L HN 0.174 nan 8.230 nan 0.000 0.444 396 L N 0.744 121.861 121.223 -0.178 0.000 2.551 396 L HA 0.292 4.625 4.340 -0.011 0.000 0.248 396 L C -1.694 174.979 176.870 -0.327 0.000 1.509 396 L CA -0.953 53.693 54.840 -0.323 0.000 0.842 396 L CB 0.902 42.634 42.059 -0.544 0.000 1.087 396 L HN -0.046 nan 8.230 nan 0.000 0.512 397 P HA -0.191 nan 4.420 nan 0.000 0.216 397 P C 1.449 178.538 177.300 -0.351 0.000 1.150 397 P CA 1.115 64.078 63.100 -0.230 0.000 0.837 397 P CB 0.383 32.025 31.700 -0.097 0.000 0.786 398 R N -0.256 119.848 120.500 -0.660 0.000 2.090 398 R HA -0.112 4.221 4.340 -0.011 0.000 0.228 398 R C 2.279 178.257 176.300 -0.537 0.000 1.110 398 R CA 1.556 57.281 56.100 -0.624 0.000 0.973 398 R CB -1.592 28.184 30.300 -0.875 0.000 0.869 398 R HN 0.244 nan 8.270 nan 0.000 0.440 399 H N -0.308 118.443 119.070 -0.531 0.000 2.353 399 H HA -0.047 4.502 4.556 -0.011 0.000 0.300 399 H C 1.812 176.956 175.328 -0.308 0.000 1.090 399 H CA 1.659 57.479 56.048 -0.381 0.000 1.327 399 H CB -0.132 29.370 29.762 -0.433 0.000 1.383 399 H HN 0.068 nan 8.280 nan 0.000 0.508 400 L N 0.592 121.674 121.223 -0.234 0.000 2.012 400 L HA -0.273 4.061 4.340 -0.011 0.000 0.210 400 L C 1.914 178.550 176.870 -0.390 0.000 1.073 400 L CA 1.694 56.319 54.840 -0.358 0.000 0.748 400 L CB -0.329 41.531 42.059 -0.332 0.000 0.891 400 L HN 0.458 nan 8.230 nan 0.000 0.431 401 Q N -0.365 119.320 119.800 -0.191 0.000 2.084 401 Q HA -0.235 4.099 4.340 -0.011 0.000 0.202 401 Q C 2.159 178.159 176.000 -0.000 0.000 0.978 401 Q CA 1.650 57.436 55.803 -0.028 0.000 0.844 401 Q CB -0.104 28.634 28.738 -0.001 0.000 0.898 401 Q HN 0.563 nan 8.270 nan 0.000 0.426 402 I N 0.332 120.882 120.570 -0.033 0.000 2.315 402 I HA -0.266 3.898 4.170 -0.011 0.000 0.248 402 I C 2.125 178.308 176.117 0.110 0.000 1.117 402 I CA 0.998 62.362 61.300 0.105 0.000 1.404 402 I CB -0.134 37.882 38.000 0.026 0.000 1.071 402 I HN 0.192 nan 8.210 nan 0.000 0.419 403 I N -0.435 120.119 120.570 -0.025 0.000 2.226 403 I HA -0.319 3.845 4.170 -0.011 0.000 0.245 403 I C 2.390 178.526 176.117 0.033 0.000 1.100 403 I CA 1.418 62.697 61.300 -0.034 0.000 1.374 403 I CB -0.383 37.532 38.000 -0.143 0.000 1.057 403 I HN 0.158 nan 8.210 nan 0.000 0.413 404 Y N 0.807 121.111 120.300 0.007 0.000 2.181 404 Y HA -0.271 4.272 4.550 -0.011 0.000 0.288 404 Y C 2.598 178.466 175.900 -0.054 0.000 1.146 404 Y CA 1.514 59.605 58.100 -0.015 0.000 1.164 404 Y CB -0.785 37.659 38.460 -0.027 0.000 0.982 404 Y HN 0.209 nan 8.280 nan 0.000 0.515 405 E N 0.341 120.581 120.200 0.066 0.000 2.072 405 E HA -0.122 4.222 4.350 -0.011 0.000 0.191 405 E C 2.069 178.580 176.600 -0.149 0.000 0.985 405 E CA 1.114 57.415 56.400 -0.165 0.000 0.801 405 E CB -0.515 28.929 29.700 -0.426 0.000 0.750 405 E HN 0.463 nan 8.360 nan 0.000 0.452 406 I N 0.736 121.325 120.570 0.032 0.000 2.163 406 I HA -0.297 3.867 4.170 -0.011 0.000 0.243 406 I C 2.271 178.395 176.117 0.011 0.000 1.085 406 I CA 1.424 62.703 61.300 -0.036 0.000 1.347 406 I CB -0.419 37.564 38.000 -0.028 0.000 1.044 406 I HN 0.210 nan 8.210 nan 0.000 0.408 407 N N 0.707 119.458 118.700 0.085 0.000 2.084 407 N HA -0.268 4.466 4.740 -0.011 0.000 0.190 407 N C 1.871 177.462 175.510 0.135 0.000 1.030 407 N CA 1.549 54.696 53.050 0.162 0.000 0.849 407 N CB -0.172 38.429 38.487 0.189 0.000 1.012 407 N HN 0.332 nan 8.380 nan 0.000 0.423 408 Q N 0.072 119.898 119.800 0.044 0.000 2.061 408 Q HA -0.148 4.186 4.340 -0.011 0.000 0.204 408 Q C 2.012 177.996 176.000 -0.027 0.000 0.984 408 Q CA 1.432 57.226 55.803 -0.015 0.000 0.846 408 Q CB -0.020 28.669 28.738 -0.081 0.000 0.902 408 Q HN 0.374 nan 8.270 nan 0.000 0.421 409 R N -0.702 119.761 120.500 -0.062 0.000 2.092 409 R HA -0.119 4.214 4.340 -0.011 0.000 0.231 409 R C 2.179 178.510 176.300 0.051 0.000 1.119 409 R CA 1.341 57.405 56.100 -0.061 0.000 0.970 409 R CB -0.363 29.845 30.300 -0.153 0.000 0.864 409 R HN 0.276 nan 8.270 nan 0.000 0.440 410 F N 1.425 121.355 119.950 -0.035 0.000 2.102 410 F HA -0.112 4.409 4.527 -0.011 0.000 0.298 410 F C 1.833 177.656 175.800 0.038 0.000 1.105 410 F CA 1.375 59.401 58.000 0.044 0.000 1.239 410 F CB -0.191 38.866 39.000 0.096 0.000 0.991 410 F HN -0.109 nan 8.300 nan 0.000 0.474 411 L N -0.064 121.183 121.223 0.040 0.000 2.201 411 L HA -0.232 4.101 4.340 -0.011 0.000 0.212 411 L C 1.989 178.802 176.870 -0.096 0.000 1.105 411 L CA 1.485 56.285 54.840 -0.067 0.000 0.775 411 L CB -0.879 41.196 42.059 0.027 0.000 0.913 411 L HN 0.260 nan 8.230 nan 0.000 0.440 412 N N -0.181 118.479 118.700 -0.067 0.000 2.166 412 N HA -0.159 4.574 4.740 -0.011 0.000 0.186 412 N C 1.911 177.372 175.510 -0.083 0.000 1.019 412 N CA 0.753 53.764 53.050 -0.066 0.000 0.856 412 N CB 0.019 38.473 38.487 -0.055 0.000 0.993 412 N HN 0.295 nan 8.380 nan 0.000 0.426 413 R N 0.525 120.958 120.500 -0.111 0.000 2.075 413 R HA -0.040 4.294 4.340 -0.011 0.000 0.232 413 R C 2.182 178.385 176.300 -0.161 0.000 1.126 413 R CA 0.816 56.842 56.100 -0.124 0.000 0.963 413 R CB -0.282 29.949 30.300 -0.114 0.000 0.858 413 R HN 0.082 nan 8.270 nan 0.000 0.435 414 V N 0.984 120.754 119.914 -0.241 0.000 2.295 414 V HA -0.235 3.879 4.120 -0.011 0.000 0.246 414 V C 2.441 178.533 176.094 -0.003 0.000 1.049 414 V CA 1.976 64.196 62.300 -0.134 0.000 1.024 414 V CB -0.730 30.945 31.823 -0.247 0.000 0.648 414 V HN 0.398 nan 8.190 nan 0.000 0.447 415 A N 0.002 122.794 122.820 -0.047 0.000 1.940 415 A HA -0.126 4.187 4.320 -0.011 0.000 0.219 415 A C 2.375 179.939 177.584 -0.034 0.000 1.176 415 A CA 2.128 54.153 52.037 -0.021 0.000 0.631 415 A CB -0.682 18.297 19.000 -0.035 0.000 0.814 415 A HN 0.585 nan 8.150 nan 0.000 0.446 416 A N -0.581 122.200 122.820 -0.065 0.000 1.968 416 A HA 0.301 4.614 4.320 -0.011 0.000 0.217 416 A C 2.386 179.886 177.584 -0.141 0.000 1.169 416 A CA 1.699 53.686 52.037 -0.084 0.000 0.638 416 A CB -0.678 18.276 19.000 -0.076 0.000 0.812 416 A HN 0.948 nan 8.150 nan 0.000 0.446 417 A N -1.517 121.180 122.820 -0.204 0.000 1.935 417 A HA 0.356 4.670 4.320 -0.011 0.000 0.214 417 A C 0.503 177.667 177.584 -0.700 0.000 1.178 417 A CA 0.572 52.321 52.037 -0.480 0.000 0.640 417 A CB -0.176 18.468 19.000 -0.594 0.000 0.825 417 A HN 0.424 nan 8.150 nan 0.000 0.447 418 F N 0.147 120.049 119.950 -0.080 0.000 2.523 418 F HA 0.343 4.863 4.527 -0.011 0.000 0.322 418 F C -2.770 172.993 175.800 -0.061 0.000 1.361 418 F CA -2.785 55.173 58.000 -0.070 0.000 1.151 418 F CB 0.832 39.782 39.000 -0.083 0.000 1.391 418 F HN -0.053 nan 8.300 nan 0.000 0.566 419 P HA 0.222 nan 4.420 nan 0.000 0.267 419 P C 1.003 178.321 177.300 0.031 0.000 1.205 419 P CA 0.870 63.980 63.100 0.018 0.000 0.765 419 P CB 1.001 32.693 31.700 -0.014 0.000 0.828 420 G N 2.563 111.375 108.800 0.020 0.000 2.225 420 G HA2 -0.237 3.716 3.960 -0.011 0.000 0.254 420 G HA3 -0.237 3.716 3.960 -0.011 0.000 0.254 420 G C 0.313 175.222 174.900 0.015 0.000 0.988 420 G CA -0.001 45.107 45.100 0.013 0.000 0.625 420 G HN 0.602 nan 8.290 nan 0.000 0.527 421 D N 1.572 121.990 120.400 0.030 0.000 2.551 421 D HA 0.379 5.013 4.640 -0.011 0.000 0.223 421 D C 2.113 178.404 176.300 -0.015 0.000 1.144 421 D CA 0.420 54.425 54.000 0.007 0.000 1.025 421 D CB 0.393 41.199 40.800 0.010 0.000 1.085 421 D HN 0.612 nan 8.370 nan 0.000 0.506 422 V N 0.748 120.655 119.914 -0.012 0.000 2.515 422 V HA -0.146 3.968 4.120 -0.011 0.000 0.250 422 V C 1.791 177.873 176.094 -0.019 0.000 1.058 422 V CA 1.543 63.835 62.300 -0.014 0.000 1.064 422 V CB -0.476 31.342 31.823 -0.008 0.000 0.675 422 V HN 0.219 nan 8.190 nan 0.000 0.461 423 D N 0.308 120.693 120.400 -0.025 0.000 2.183 423 D HA -0.150 4.483 4.640 -0.011 0.000 0.203 423 D C 2.337 178.610 176.300 -0.045 0.000 0.969 423 D CA 1.201 55.186 54.000 -0.025 0.000 0.842 423 D CB -0.199 40.587 40.800 -0.022 0.000 0.957 423 D HN 0.432 nan 8.370 nan 0.000 0.484 424 R N -0.087 120.363 120.500 -0.084 0.000 2.081 424 R HA -0.100 4.234 4.340 -0.011 0.000 0.235 424 R C 2.231 178.463 176.300 -0.113 0.000 1.131 424 R CA 0.895 56.908 56.100 -0.144 0.000 0.960 424 R CB -0.260 29.891 30.300 -0.248 0.000 0.856 424 R HN 0.257 nan 8.270 nan 0.000 0.436 425 L N 0.618 121.799 121.223 -0.070 0.000 2.012 425 L HA -0.231 4.103 4.340 -0.011 0.000 0.210 425 L C 2.716 179.589 176.870 0.005 0.000 1.073 425 L CA 2.000 56.817 54.840 -0.038 0.000 0.748 425 L CB -0.525 41.522 42.059 -0.021 0.000 0.891 425 L HN 0.301 nan 8.230 nan 0.000 0.431 426 R N 0.133 120.641 120.500 0.013 0.000 2.092 426 R HA -0.104 4.229 4.340 -0.011 0.000 0.231 426 R C 2.183 178.531 176.300 0.080 0.000 1.119 426 R CA 1.011 57.140 56.100 0.048 0.000 0.970 426 R CB -0.537 29.786 30.300 0.039 0.000 0.864 426 R HN 0.198 nan 8.270 nan 0.000 0.440 427 R N 0.185 120.715 120.500 0.050 0.000 2.092 427 R HA 0.073 4.407 4.340 -0.011 0.000 0.231 427 R C 2.086 178.469 176.300 0.139 0.000 1.119 427 R CA 1.840 57.995 56.100 0.092 0.000 0.970 427 R CB -0.228 30.089 30.300 0.028 0.000 0.864 427 R HN 0.337 nan 8.270 nan 0.000 0.440 428 M N 0.121 119.729 119.600 0.013 0.000 2.541 428 M HA 0.043 4.516 4.480 -0.011 0.000 0.252 428 M C 0.862 177.299 176.300 0.228 0.000 1.125 428 M CA 0.015 55.269 55.300 -0.077 0.000 1.091 428 M CB 0.432 32.837 32.600 -0.325 0.000 1.420 428 M HN -0.078 nan 8.290 nan 0.000 0.486 429 S N 0.817 116.668 115.700 0.252 0.000 2.558 429 S HA 0.020 4.484 4.470 -0.011 0.000 0.288 429 S C 0.991 175.840 174.600 0.415 0.000 1.318 429 S CA -0.371 58.006 58.200 0.295 0.000 1.056 429 S CB 0.633 63.953 63.200 0.200 0.000 0.853 429 S HN 0.223 nan 8.310 nan 0.000 0.505 430 L N 5.284 126.709 121.223 0.336 0.000 2.217 430 L HA 0.148 4.481 4.340 -0.011 0.000 0.211 430 L C 0.483 177.467 176.870 0.191 0.000 1.107 430 L CA 0.871 55.873 54.840 0.269 0.000 0.783 430 L CB -0.425 41.738 42.059 0.173 0.000 0.919 430 L HN 0.496 nan 8.230 nan 0.000 0.442 431 V N 0.336 120.371 119.914 0.202 0.000 2.383 431 V HA 0.174 4.288 4.120 -0.011 0.000 0.275 431 V C 0.195 176.377 176.094 0.147 0.000 1.036 431 V CA -0.888 61.519 62.300 0.178 0.000 0.889 431 V CB 0.988 32.945 31.823 0.223 0.000 0.985 431 V HN 0.165 nan 8.190 nan 0.000 0.459 432 E N 3.236 123.503 120.200 0.112 0.000 2.197 432 E HA 0.418 4.762 4.350 -0.011 0.000 0.281 432 E C -0.692 175.959 176.600 0.085 0.000 0.995 432 E CA -0.563 55.892 56.400 0.091 0.000 0.808 432 E CB 2.029 31.763 29.700 0.057 0.000 1.093 432 E HN 0.614 nan 8.360 nan 0.000 0.394 433 E N 0.778 121.024 120.200 0.076 0.000 2.283 433 E HA 0.626 4.970 4.350 -0.011 0.000 0.267 433 E C 0.034 176.668 176.600 0.057 0.000 1.045 433 E CA 0.220 56.659 56.400 0.065 0.000 0.884 433 E CB 1.536 31.268 29.700 0.053 0.000 1.106 433 E HN 0.643 nan 8.360 nan 0.000 0.408 434 G N 0.057 108.889 108.800 0.054 0.000 2.356 434 G HA2 0.264 4.217 3.960 -0.011 0.000 0.266 434 G HA3 0.264 4.217 3.960 -0.011 0.000 0.266 434 G C 0.374 175.304 174.900 0.051 0.000 1.312 434 G CA 0.167 45.296 45.100 0.049 0.000 0.922 434 G HN 0.602 nan 8.290 nan 0.000 0.480 435 A N -0.840 122.009 122.820 0.048 0.000 1.859 435 A HA 0.292 4.606 4.320 -0.011 0.000 0.218 435 A C 1.700 179.324 177.584 0.066 0.000 1.209 435 A CA 3.784 55.851 52.037 0.049 0.000 0.639 435 A CB -1.278 17.749 19.000 0.045 0.000 0.835 435 A HN 2.303 nan 8.150 nan 0.000 0.450 436 V N -3.012 116.952 119.914 0.084 0.000 2.459 436 V HA 0.527 4.640 4.120 -0.011 0.000 0.295 436 V C -0.362 175.801 176.094 0.115 0.000 1.029 436 V CA -1.364 61.009 62.300 0.121 0.000 0.874 436 V CB 1.410 33.335 31.823 0.169 0.000 0.985 436 V HN 0.314 nan 8.190 nan 0.000 0.438 437 K N 4.078 124.555 120.400 0.128 0.000 2.401 437 K HA 0.433 4.747 4.320 -0.011 0.000 0.278 437 K C -0.289 176.383 176.600 0.121 0.000 1.018 437 K CA -0.054 56.306 56.287 0.122 0.000 0.981 437 K CB 0.774 33.357 32.500 0.139 0.000 0.933 437 K HN 0.748 nan 8.250 nan 0.000 0.477 438 R N 1.846 122.405 120.500 0.098 0.000 2.837 438 R HA 0.474 4.807 4.340 -0.011 0.000 0.271 438 R C -0.549 175.794 176.300 0.072 0.000 0.993 438 R CA -1.030 55.118 56.100 0.079 0.000 0.931 438 R CB 1.312 31.638 30.300 0.044 0.000 1.206 438 R HN 0.370 nan 8.270 nan 0.000 0.474 439 I N 1.947 122.555 120.570 0.064 0.000 2.336 439 I HA 0.149 4.313 4.170 -0.011 0.000 0.292 439 I C -0.074 176.031 176.117 -0.021 0.000 0.991 439 I CA -0.706 60.620 61.300 0.042 0.000 1.227 439 I CB 1.048 39.072 38.000 0.041 0.000 1.366 439 I HN 0.498 nan 8.210 nan 0.000 0.466 440 N N 7.106 125.766 118.700 -0.067 0.000 2.402 440 N HA 0.097 4.831 4.740 -0.011 0.000 0.252 440 N C 0.786 176.198 175.510 -0.163 0.000 1.118 440 N CA -0.318 52.610 53.050 -0.203 0.000 0.945 440 N CB 0.962 39.187 38.487 -0.436 0.000 1.147 440 N HN 0.378 nan 8.380 nan 0.000 0.495 441 M N 2.372 121.877 119.600 -0.159 0.000 2.296 441 M HA -0.040 4.433 4.480 -0.011 0.000 0.265 441 M C 1.913 178.076 176.300 -0.228 0.000 1.064 441 M CA 0.639 55.864 55.300 -0.125 0.000 1.109 441 M CB -1.513 31.058 32.600 -0.050 0.000 1.396 441 M HN 0.598 nan 8.290 nan 0.000 0.430 442 A N -0.418 122.263 122.820 -0.232 0.000 1.930 442 A HA -0.171 4.143 4.320 -0.011 0.000 0.217 442 A C 1.984 179.363 177.584 -0.341 0.000 1.175 442 A CA 1.455 53.321 52.037 -0.285 0.000 0.627 442 A CB -1.115 17.915 19.000 0.048 0.000 0.815 442 A HN 0.593 nan 8.150 nan 0.000 0.443 443 H N -1.494 117.381 119.070 -0.325 0.000 2.389 443 H HA -0.100 4.449 4.556 -0.011 0.000 0.299 443 H C 2.098 177.223 175.328 -0.339 0.000 1.081 443 H CA 1.093 56.922 56.048 -0.364 0.000 1.345 443 H CB -0.025 29.729 29.762 -0.015 0.000 1.393 443 H HN 0.439 nan 8.280 nan 0.000 0.520 444 L N 0.682 121.834 121.223 -0.118 0.000 2.046 444 L HA -0.172 4.162 4.340 -0.011 0.000 0.208 444 L C 2.255 178.995 176.870 -0.217 0.000 1.077 444 L CA 1.467 56.229 54.840 -0.129 0.000 0.747 444 L CB -0.763 41.249 42.059 -0.078 0.000 0.896 444 L HN 0.289 nan 8.230 nan 0.000 0.432 445 C N -0.396 118.674 119.300 -0.383 0.000 2.429 445 C HA -0.115 4.338 4.460 -0.011 0.000 0.277 445 C C 2.699 177.439 174.990 -0.417 0.000 1.262 445 C CA 0.964 59.672 59.018 -0.517 0.000 1.733 445 C CB -0.948 26.096 27.740 -1.159 0.000 2.010 445 C HN 0.618 nan 8.230 nan 0.000 0.483 446 I N 1.440 121.722 120.570 -0.480 0.000 2.202 446 I HA -0.183 3.980 4.170 -0.011 0.000 0.242 446 I C 2.770 178.745 176.117 -0.237 0.000 1.091 446 I CA 1.606 62.668 61.300 -0.396 0.000 1.368 446 I CB -0.609 37.012 38.000 -0.632 0.000 1.058 446 I HN 0.252 nan 8.210 nan 0.000 0.410 447 A N 0.651 123.299 122.820 -0.287 0.000 1.908 447 A HA -0.142 4.171 4.320 -0.011 0.000 0.218 447 A C 2.224 179.852 177.584 0.073 0.000 1.181 447 A CA 2.032 53.933 52.037 -0.227 0.000 0.627 447 A CB -1.250 17.441 19.000 -0.515 0.000 0.818 447 A HN 0.491 nan 8.150 nan 0.000 0.445 448 G N -1.363 107.421 108.800 -0.026 0.000 3.284 448 G HA2 0.417 4.371 3.960 -0.011 0.000 0.236 448 G HA3 0.417 4.371 3.960 -0.011 0.000 0.236 448 G C 0.115 174.858 174.900 -0.263 0.000 1.158 448 G CA 0.502 45.477 45.100 -0.208 0.000 0.774 448 G HN 0.348 nan 8.290 nan 0.000 0.545 449 S N -0.355 115.242 115.700 -0.171 0.000 2.536 449 S HA 0.317 4.781 4.470 -0.011 0.000 0.298 449 S C 0.804 175.351 174.600 -0.089 0.000 1.083 449 S CA -0.701 57.422 58.200 -0.129 0.000 0.995 449 S CB 1.290 64.418 63.200 -0.120 0.000 1.058 449 S HN 0.505 nan 8.310 nan 0.000 0.488 450 H N 0.115 119.146 119.070 -0.065 0.000 2.548 450 H HA 0.451 5.000 4.556 -0.011 0.000 0.268 450 H C 0.153 175.468 175.328 -0.022 0.000 0.975 450 H CA 0.359 56.395 56.048 -0.018 0.000 1.195 450 H CB 0.166 29.930 29.762 0.005 0.000 1.397 450 H HN 0.496 nan 8.280 nan 0.000 0.572 451 A N 1.088 123.603 122.820 -0.508 0.000 2.455 451 A HA 0.557 4.870 4.320 -0.011 0.000 0.300 451 A C -1.375 176.009 177.584 -0.334 0.000 1.040 451 A CA -0.586 51.215 52.037 -0.393 0.000 0.697 451 A CB 2.281 21.023 19.000 -0.429 0.000 1.265 451 A HN 0.100 nan 8.150 nan 0.000 0.407 452 V N 4.232 123.914 119.914 -0.387 0.000 2.483 452 V HA 0.510 4.623 4.120 -0.011 0.000 0.297 452 V C -0.732 175.172 176.094 -0.318 0.000 1.027 452 V CA -0.789 61.274 62.300 -0.396 0.000 0.855 452 V CB 1.756 33.200 31.823 -0.631 0.000 0.995 452 V HN 1.001 nan 8.190 nan 0.000 0.424 453 N N 3.291 121.822 118.700 -0.282 0.000 2.240 453 N HA 0.598 5.332 4.740 -0.011 0.000 0.302 453 N C -0.203 175.203 175.510 -0.172 0.000 1.106 453 N CA -0.359 52.571 53.050 -0.201 0.000 0.778 453 N CB 2.870 41.218 38.487 -0.232 0.000 1.431 453 N HN 0.624 nan 8.380 nan 0.000 0.479 454 G N -0.649 108.089 108.800 -0.103 0.000 2.535 454 G HA2 0.418 4.372 3.960 -0.011 0.000 0.303 454 G HA3 0.418 4.372 3.960 -0.011 0.000 0.303 454 G C 0.761 175.728 174.900 0.112 0.000 1.237 454 G CA -0.401 44.698 45.100 -0.002 0.000 0.986 454 G HN 0.657 nan 8.290 nan 0.000 0.494 455 V N -4.083 116.016 119.914 0.309 0.000 3.477 455 V HA 0.707 4.820 4.120 -0.011 0.000 0.297 455 V C 0.551 176.724 176.094 0.132 0.000 1.433 455 V CA 0.485 62.869 62.300 0.139 0.000 1.052 455 V CB -0.593 31.257 31.823 0.046 0.000 0.895 455 V HN 1.299 nan 8.190 nan 0.000 0.438 456 A N 0.035 122.947 122.820 0.154 0.000 2.612 456 A HA 0.669 4.983 4.320 -0.011 0.000 0.293 456 A C 0.725 178.361 177.584 0.086 0.000 1.075 456 A CA -0.118 51.986 52.037 0.111 0.000 0.680 456 A CB 1.321 20.375 19.000 0.089 0.000 1.279 456 A HN 0.024 nan 8.150 nan 0.000 0.411 457 R N 0.574 121.104 120.500 0.051 0.000 2.096 457 R HA -0.151 4.183 4.340 -0.011 0.000 0.240 457 R C 1.635 177.936 176.300 0.002 0.000 1.139 457 R CA 2.264 58.372 56.100 0.013 0.000 0.952 457 R CB -0.243 30.059 30.300 0.004 0.000 0.854 457 R HN 0.813 nan 8.270 nan 0.000 0.436 458 I N 0.246 120.825 120.570 0.016 0.000 2.286 458 I HA -0.290 3.873 4.170 -0.011 0.000 0.248 458 I C 2.351 178.480 176.117 0.020 0.000 1.115 458 I CA 1.810 63.112 61.300 0.003 0.000 1.392 458 I CB -0.226 37.774 38.000 -0.001 0.000 1.065 458 I HN 0.342 nan 8.210 nan 0.000 0.418 459 H N 0.320 119.363 119.070 -0.046 0.000 2.321 459 H HA -0.126 4.423 4.556 -0.011 0.000 0.300 459 H C 2.281 177.576 175.328 -0.054 0.000 1.087 459 H CA 2.224 58.240 56.048 -0.053 0.000 1.319 459 H CB -0.305 29.431 29.762 -0.043 0.000 1.379 459 H HN 0.236 nan 8.280 nan 0.000 0.501 460 S N 0.376 115.969 115.700 -0.178 0.000 2.382 460 S HA -0.133 4.331 4.470 -0.011 0.000 0.228 460 S C 1.894 176.379 174.600 -0.192 0.000 1.027 460 S CA 1.261 59.331 58.200 -0.215 0.000 0.991 460 S CB -0.083 63.058 63.200 -0.097 0.000 0.823 460 S HN 0.491 nan 8.310 nan 0.000 0.469 461 E N 1.156 121.266 120.200 -0.151 0.000 2.072 461 E HA 0.003 4.347 4.350 -0.011 0.000 0.191 461 E C 2.044 178.537 176.600 -0.179 0.000 0.985 461 E CA 0.625 56.928 56.400 -0.163 0.000 0.801 461 E CB -0.409 29.225 29.700 -0.110 0.000 0.750 461 E HN 0.506 nan 8.360 nan 0.000 0.452 462 I N 1.103 121.582 120.570 -0.152 0.000 2.208 462 I HA -0.291 3.873 4.170 -0.011 0.000 0.245 462 I C 2.431 178.427 176.117 -0.201 0.000 1.097 462 I CA 0.875 62.087 61.300 -0.146 0.000 1.363 462 I CB -0.276 37.670 38.000 -0.090 0.000 1.051 462 I HN 0.061 nan 8.210 nan 0.000 0.413 463 L N 0.363 121.429 121.223 -0.261 0.000 2.012 463 L HA -0.247 4.087 4.340 -0.011 0.000 0.210 463 L C 2.507 179.265 176.870 -0.187 0.000 1.073 463 L CA 1.652 56.347 54.840 -0.241 0.000 0.748 463 L CB -0.620 41.365 42.059 -0.123 0.000 0.891 463 L HN 0.215 nan 8.230 nan 0.000 0.431 464 K N -0.192 120.028 120.400 -0.299 0.000 2.217 464 K HA -0.117 4.197 4.320 -0.011 0.000 0.202 464 K C 2.069 178.477 176.600 -0.319 0.000 1.051 464 K CA 0.896 56.872 56.287 -0.517 0.000 0.952 464 K CB 0.063 32.012 32.500 -0.918 0.000 0.736 464 K HN 0.266 nan 8.250 nan 0.000 0.453 465 K N -0.054 120.213 120.400 -0.222 0.000 2.262 465 K HA -0.031 4.283 4.320 -0.011 0.000 0.200 465 K C 1.930 178.477 176.600 -0.088 0.000 1.049 465 K CA 1.404 57.612 56.287 -0.132 0.000 0.979 465 K CB 0.451 32.882 32.500 -0.115 0.000 0.773 465 K HN 0.272 nan 8.250 nan 0.000 0.474 466 T N -1.364 113.127 114.554 -0.105 0.000 3.257 466 T HA 0.058 4.402 4.350 -0.011 0.000 0.176 466 T C 1.928 176.583 174.700 -0.076 0.000 0.892 466 T CA 0.002 62.052 62.100 -0.083 0.000 1.147 466 T CB -0.764 68.048 68.868 -0.093 0.000 1.840 466 T HN 0.100 nan 8.240 nan 0.000 0.375 467 I N -0.947 119.516 120.570 -0.179 0.000 2.454 467 I HA 0.213 4.377 4.170 -0.011 0.000 0.254 467 I C 1.504 177.606 176.117 -0.024 0.000 1.156 467 I CA 1.382 62.554 61.300 -0.213 0.000 1.433 467 I CB -0.617 37.108 38.000 -0.459 0.000 1.082 467 I HN 0.261 nan 8.210 nan 0.000 0.432 468 F N 0.860 120.882 119.950 0.122 0.000 2.668 468 F HA 0.323 4.844 4.527 -0.011 0.000 0.301 468 F C 2.059 177.951 175.800 0.152 0.000 1.106 468 F CA -0.637 57.502 58.000 0.232 0.000 1.289 468 F CB 0.138 39.275 39.000 0.227 0.000 1.006 468 F HN -0.084 nan 8.300 nan 0.000 0.535 469 K N 1.154 121.669 120.400 0.193 0.000 2.059 469 K HA -0.237 4.077 4.320 -0.011 0.000 0.212 469 K C 1.353 178.013 176.600 0.100 0.000 1.050 469 K CA 2.307 58.650 56.287 0.093 0.000 0.927 469 K CB -0.053 32.466 32.500 0.032 0.000 0.714 469 K HN 0.144 nan 8.250 nan 0.000 0.447 470 D N -0.167 120.271 120.400 0.063 0.000 2.123 470 D HA -0.166 4.468 4.640 -0.011 0.000 0.196 470 D C 1.836 178.050 176.300 -0.143 0.000 0.992 470 D CA 1.304 55.210 54.000 -0.156 0.000 0.833 470 D CB -0.330 40.282 40.800 -0.313 0.000 0.954 470 D HN 0.253 nan 8.370 nan 0.000 0.455 471 F N -0.205 119.817 119.950 0.120 0.000 2.146 471 F HA -0.148 4.373 4.527 -0.011 0.000 0.298 471 F C 2.355 178.291 175.800 0.226 0.000 1.096 471 F CA 0.546 58.696 58.000 0.251 0.000 1.275 471 F CB -0.695 38.532 39.000 0.378 0.000 1.008 471 F HN -0.030 nan 8.300 nan 0.000 0.480 472 Y N 1.366 121.625 120.300 -0.068 0.000 2.224 472 Y HA -0.210 4.333 4.550 -0.011 0.000 0.289 472 Y C 2.131 178.004 175.900 -0.044 0.000 1.146 472 Y CA 1.644 59.512 58.100 -0.386 0.000 1.182 472 Y CB -0.608 37.446 38.460 -0.677 0.000 0.983 472 Y HN 0.142 nan 8.280 nan 0.000 0.524 473 E N -0.396 119.746 120.200 -0.097 0.000 2.106 473 E HA -0.200 4.144 4.350 -0.011 0.000 0.192 473 E C 2.026 178.682 176.600 0.093 0.000 0.984 473 E CA 1.229 57.591 56.400 -0.064 0.000 0.806 473 E CB -0.281 29.418 29.700 -0.002 0.000 0.750 473 E HN 0.437 nan 8.360 nan 0.000 0.458 474 L N 0.950 122.267 121.223 0.157 0.000 2.044 474 L HA -0.074 4.260 4.340 -0.011 0.000 0.205 474 L C 0.285 177.237 176.870 0.136 0.000 1.075 474 L CA 1.671 56.638 54.840 0.211 0.000 0.747 474 L CB 0.352 42.526 42.059 0.192 0.000 0.903 474 L HN -0.086 nan 8.230 nan 0.000 0.435 475 E N -0.280 119.999 120.200 0.132 0.000 3.386 475 E HA 0.176 4.519 4.350 -0.011 0.000 0.236 475 E C -1.989 174.571 176.600 -0.068 0.000 1.227 475 E CA -1.247 55.155 56.400 0.004 0.000 0.970 475 E CB 0.754 30.453 29.700 -0.001 0.000 1.343 475 E HN 0.206 nan 8.360 nan 0.000 0.397 476 P HA -0.234 nan 4.420 nan 0.000 0.218 476 P C 1.024 178.426 177.300 0.170 0.000 1.148 476 P CA 1.449 64.466 63.100 -0.138 0.000 0.822 476 P CB -0.004 31.501 31.700 -0.325 0.000 0.784 477 H N -0.658 118.520 119.070 0.180 0.000 2.491 477 H HA 0.073 4.622 4.556 -0.011 0.000 0.290 477 H C 1.804 177.225 175.328 0.156 0.000 1.050 477 H CA 0.897 57.038 56.048 0.155 0.000 1.309 477 H CB -0.833 28.990 29.762 0.101 0.000 1.392 477 H HN 0.087 nan 8.280 nan 0.000 0.554 478 K N 0.101 120.405 120.400 -0.161 0.000 2.217 478 K HA 0.016 4.329 4.320 -0.011 0.000 0.202 478 K C -0.469 175.995 176.600 -0.226 0.000 1.051 478 K CA 0.321 56.491 56.287 -0.194 0.000 0.952 478 K CB 0.095 32.357 32.500 -0.396 0.000 0.736 478 K HN 0.223 nan 8.250 nan 0.000 0.453 479 F N 1.808 121.788 119.950 0.050 0.000 2.424 479 F HA 0.172 4.692 4.527 -0.011 0.000 0.356 479 F C 0.492 176.297 175.800 0.009 0.000 1.110 479 F CA -0.258 57.773 58.000 0.052 0.000 1.161 479 F CB 0.927 40.014 39.000 0.145 0.000 1.115 479 F HN -0.108 nan 8.300 nan 0.000 0.507 480 Q N 1.839 121.667 119.800 0.048 0.000 2.587 480 Q HA 0.359 4.692 4.340 -0.011 0.000 0.293 480 Q C -1.115 174.848 176.000 -0.061 0.000 1.083 480 Q CA -1.264 54.523 55.803 -0.026 0.000 0.792 480 Q CB 3.025 31.694 28.738 -0.115 0.000 1.484 480 Q HN 0.608 nan 8.270 nan 0.000 0.446 481 N N 0.725 119.372 118.700 -0.088 0.000 2.321 481 N HA 0.263 4.996 4.740 -0.011 0.000 0.299 481 N C -1.447 173.969 175.510 -0.155 0.000 1.048 481 N CA -0.388 52.606 53.050 -0.094 0.000 0.836 481 N CB 0.991 39.445 38.487 -0.055 0.000 1.269 481 N HN 0.279 nan 8.380 nan 0.000 0.486 482 K N 2.750 123.059 120.400 -0.152 0.000 2.664 482 K HA 0.191 4.505 4.320 -0.011 0.000 0.234 482 K C -0.925 175.685 176.600 0.016 0.000 0.980 482 K CA -0.502 55.677 56.287 -0.181 0.000 0.996 482 K CB 1.306 33.487 32.500 -0.532 0.000 1.190 482 K HN 0.537 nan 8.250 nan 0.000 0.479 483 T N 2.134 116.715 114.554 0.045 0.000 2.902 483 T HA 0.053 4.397 4.350 -0.011 0.000 0.301 483 T C 0.778 175.605 174.700 0.212 0.000 1.012 483 T CA 0.302 62.479 62.100 0.128 0.000 1.151 483 T CB 0.267 69.212 68.868 0.128 0.000 0.946 483 T HN 0.362 nan 8.240 nan 0.000 0.542 484 N N 0.658 119.504 118.700 0.243 0.000 2.307 484 N HA 0.376 5.110 4.740 -0.011 0.000 0.230 484 N C 0.467 176.165 175.510 0.313 0.000 1.297 484 N CA -0.111 53.115 53.050 0.292 0.000 0.884 484 N CB 0.381 38.981 38.487 0.189 0.000 1.115 484 N HN 0.763 nan 8.380 nan 0.000 0.436 485 G N -0.513 108.482 108.800 0.325 0.000 2.682 485 G HA2 0.617 4.570 3.960 -0.011 0.000 0.290 485 G HA3 0.617 4.570 3.960 -0.011 0.000 0.290 485 G C -1.364 173.676 174.900 0.234 0.000 1.425 485 G CA -0.739 44.537 45.100 0.294 0.000 0.807 485 G HN 0.598 nan 8.290 nan 0.000 0.482 486 I N -2.360 118.330 120.570 0.201 0.000 2.828 486 I HA 0.751 4.915 4.170 -0.011 0.000 0.302 486 I C -0.200 176.074 176.117 0.262 0.000 1.101 486 I CA -0.966 60.447 61.300 0.188 0.000 1.031 486 I CB 2.460 40.469 38.000 0.015 0.000 1.231 486 I HN 0.484 nan 8.210 nan 0.000 0.427 487 T N 3.988 118.751 114.554 0.348 0.000 2.794 487 T HA 0.373 4.716 4.350 -0.011 0.000 0.296 487 T C -1.499 173.317 174.700 0.193 0.000 0.949 487 T CA -1.625 60.604 62.100 0.215 0.000 1.101 487 T CB 0.781 69.722 68.868 0.123 0.000 0.905 487 T HN 0.632 nan 8.240 nan 0.000 0.516 488 P HA 0.082 nan 4.420 nan 0.000 0.237 488 P C 1.034 178.300 177.300 -0.056 0.000 1.178 488 P CA 0.240 63.375 63.100 0.058 0.000 0.766 488 P CB 0.349 32.069 31.700 0.032 0.000 0.876 489 R N 0.417 120.841 120.500 -0.126 0.000 2.056 489 R HA 0.033 4.366 4.340 -0.011 0.000 0.227 489 R C 2.659 178.839 176.300 -0.200 0.000 1.149 489 R CA 1.467 57.452 56.100 -0.192 0.000 0.937 489 R CB -1.212 28.980 30.300 -0.181 0.000 0.835 489 R HN 0.025 nan 8.270 nan 0.000 0.430 490 R N -0.781 119.541 120.500 -0.297 0.000 2.081 490 R HA -0.133 4.201 4.340 -0.011 0.000 0.235 490 R C 1.037 176.987 176.300 -0.584 0.000 1.131 490 R CA 1.748 57.509 56.100 -0.565 0.000 0.960 490 R CB -0.162 29.590 30.300 -0.913 0.000 0.856 490 R HN 0.304 nan 8.270 nan 0.000 0.436 491 W N -0.496 120.759 121.300 -0.074 0.000 3.353 491 W HA 0.170 4.823 4.660 -0.012 0.000 0.304 491 W C 0.949 177.435 176.519 -0.055 0.000 1.273 491 W CA -0.706 56.593 57.345 -0.076 0.000 1.773 491 W CB 0.456 29.874 29.460 -0.069 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.264 119.009 121.223 0.084 0.000 2.511 492 L HA 0.190 4.524 4.340 -0.011 0.000 0.173 492 L C 1.743 178.625 176.870 0.020 0.000 1.160 492 L CA 0.768 55.652 54.840 0.074 0.000 0.964 492 L CB -0.805 41.325 42.059 0.118 0.000 1.892 492 L HN -0.250 nan 8.230 nan 0.000 0.497 493 V N 1.054 120.955 119.914 -0.021 0.000 2.295 493 V HA -0.258 3.856 4.120 -0.011 0.000 0.246 493 V C 2.420 178.484 176.094 -0.049 0.000 1.049 493 V CA 2.432 64.712 62.300 -0.033 0.000 1.024 493 V CB -0.632 31.144 31.823 -0.078 0.000 0.648 493 V HN 0.501 nan 8.190 nan 0.000 0.447 494 L N 0.509 121.674 121.223 -0.098 0.000 2.007 494 L HA -0.182 4.151 4.340 -0.011 0.000 0.205 494 L C 2.544 179.349 176.870 -0.109 0.000 1.073 494 L CA 2.418 57.184 54.840 -0.123 0.000 0.744 494 L CB -0.301 41.633 42.059 -0.207 0.000 0.898 494 L HN 0.638 nan 8.230 nan 0.000 0.435 495 C N -1.602 117.626 119.300 -0.121 0.000 2.514 495 C HA 0.169 4.622 4.460 -0.011 0.000 0.271 495 C C 1.229 176.198 174.990 -0.034 0.000 1.399 495 C CA -0.192 58.774 59.018 -0.088 0.000 1.765 495 C CB -1.090 26.599 27.740 -0.086 0.000 1.893 495 C HN 0.611 nan 8.230 nan 0.000 0.531 496 N N 1.091 119.782 118.700 -0.014 0.000 2.703 496 N HA 0.288 5.022 4.740 -0.011 0.000 0.283 496 N C -1.804 173.716 175.510 0.017 0.000 1.851 496 N CA -1.607 51.447 53.050 0.007 0.000 0.826 496 N CB 0.724 39.223 38.487 0.021 0.000 1.239 496 N HN 0.237 nan 8.380 nan 0.000 0.495 497 P HA -0.026 nan 4.420 nan 0.000 0.218 497 P C 1.405 178.720 177.300 0.026 0.000 1.149 497 P CA 0.858 63.968 63.100 0.017 0.000 0.817 497 P CB 0.233 31.936 31.700 0.005 0.000 0.785 498 G N 0.653 109.464 108.800 0.018 0.000 2.446 498 G HA2 -0.250 3.703 3.960 -0.011 0.000 0.217 498 G HA3 -0.250 3.703 3.960 -0.011 0.000 0.217 498 G C 1.518 176.429 174.900 0.018 0.000 1.168 498 G CA 0.665 45.773 45.100 0.014 0.000 0.771 498 G HN 0.239 nan 8.290 nan 0.000 0.551 499 L N 1.302 122.537 121.223 0.020 0.000 2.056 499 L HA 0.236 4.570 4.340 -0.011 0.000 0.207 499 L C 3.107 180.012 176.870 0.059 0.000 1.078 499 L CA 2.015 56.869 54.840 0.024 0.000 0.749 499 L CB -0.797 41.275 42.059 0.021 0.000 0.901 499 L HN 0.238 nan 8.230 nan 0.000 0.433 500 A N -0.749 122.126 122.820 0.091 0.000 1.917 500 A HA -0.287 4.026 4.320 -0.011 0.000 0.219 500 A C 2.257 179.941 177.584 0.167 0.000 1.182 500 A CA 1.976 54.118 52.037 0.176 0.000 0.633 500 A CB -0.702 18.388 19.000 0.150 0.000 0.819 500 A HN 0.558 nan 8.150 nan 0.000 0.448 501 E N 0.516 120.774 120.200 0.097 0.000 2.047 501 E HA -0.146 4.197 4.350 -0.011 0.000 0.191 501 E C 1.858 178.499 176.600 0.068 0.000 0.987 501 E CA 1.510 57.956 56.400 0.077 0.000 0.799 501 E CB -0.498 29.229 29.700 0.046 0.000 0.752 501 E HN 0.743 nan 8.360 nan 0.000 0.449 502 I N -1.603 119.003 120.570 0.061 0.000 2.361 502 I HA -0.151 4.012 4.170 -0.011 0.000 0.251 502 I C 2.115 178.297 176.117 0.109 0.000 1.133 502 I CA 1.155 62.505 61.300 0.083 0.000 1.413 502 I CB -0.356 37.686 38.000 0.071 0.000 1.073 502 I HN 0.030 nan 8.210 nan 0.000 0.424 503 I N 2.006 122.618 120.570 0.070 0.000 2.202 503 I HA -0.203 3.961 4.170 -0.011 0.000 0.242 503 I C 3.025 179.084 176.117 -0.097 0.000 1.091 503 I CA 1.399 62.653 61.300 -0.077 0.000 1.368 503 I CB -0.531 37.305 38.000 -0.273 0.000 1.058 503 I HN 0.306 nan 8.210 nan 0.000 0.410 504 A N 0.365 123.227 122.820 0.071 0.000 1.933 504 A HA -0.228 4.085 4.320 -0.011 0.000 0.218 504 A C 2.167 179.780 177.584 0.047 0.000 1.175 504 A CA 1.606 53.736 52.037 0.155 0.000 0.628 504 A CB -0.622 18.503 19.000 0.207 0.000 0.814 504 A HN 0.448 nan 8.150 nan 0.000 0.444 505 E N -0.838 119.371 120.200 0.014 0.000 2.209 505 E HA -0.218 4.126 4.350 -0.011 0.000 0.196 505 E C 2.197 178.761 176.600 -0.060 0.000 0.993 505 E CA 1.342 57.735 56.400 -0.010 0.000 0.819 505 E CB -0.079 29.619 29.700 -0.003 0.000 0.745 505 E HN 0.596 nan 8.360 nan 0.000 0.477 506 R N -0.265 120.147 120.500 -0.146 0.000 2.167 506 R HA 0.159 4.493 4.340 -0.011 0.000 0.201 506 R C 2.147 178.367 176.300 -0.134 0.000 1.024 506 R CA 0.641 56.591 56.100 -0.251 0.000 1.053 506 R CB 0.311 30.183 30.300 -0.714 0.000 0.987 506 R HN 0.201 nan 8.270 nan 0.000 0.493 507 I N -3.201 117.305 120.570 -0.107 0.000 4.081 507 I HA 0.484 4.648 4.170 -0.011 0.000 0.333 507 I C 0.417 176.571 176.117 0.062 0.000 1.413 507 I CA -0.131 61.156 61.300 -0.020 0.000 1.110 507 I CB 0.937 38.904 38.000 -0.055 0.000 1.082 507 I HN 0.172 nan 8.210 nan 0.000 0.402 508 G N 2.062 110.909 108.800 0.077 0.000 2.681 508 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.220 508 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.220 508 G C -0.003 175.024 174.900 0.212 0.000 1.353 508 G CA 0.264 45.431 45.100 0.112 0.000 0.872 508 G HN 0.443 nan 8.290 nan 0.000 0.557 509 E N -0.169 120.108 120.200 0.129 0.000 2.476 509 E HA 0.105 4.449 4.350 -0.011 0.000 0.199 509 E C 2.027 178.580 176.600 -0.078 0.000 1.021 509 E CA 0.329 56.750 56.400 0.035 0.000 0.907 509 E CB 0.259 29.970 29.700 0.018 0.000 0.974 509 E HN 0.632 nan 8.360 nan 0.000 0.489 510 E N 0.343 120.564 120.200 0.035 0.000 2.267 510 E HA -0.214 4.130 4.350 -0.011 0.000 0.197 510 E C 1.621 178.215 176.600 -0.010 0.000 0.998 510 E CA 1.058 57.469 56.400 0.020 0.000 0.830 510 E CB -0.169 29.566 29.700 0.058 0.000 0.751 510 E HN 0.484 nan 8.360 nan 0.000 0.491 511 Y N -0.727 119.576 120.300 0.004 0.000 2.403 511 Y HA -0.069 4.475 4.550 -0.009 0.000 0.291 511 Y C 1.747 177.622 175.900 -0.041 0.000 1.143 511 Y CA 0.527 58.621 58.100 -0.010 0.000 1.257 511 Y CB -0.510 37.947 38.460 -0.004 0.000 0.984 511 Y HN -0.059 nan 8.280 nan 0.000 0.550 512 I N 0.890 120.990 120.570 -0.783 0.000 2.361 512 I HA -0.228 3.935 4.170 -0.011 0.000 0.251 512 I C 1.752 177.610 176.117 -0.432 0.000 1.133 512 I CA 1.789 62.669 61.300 -0.701 0.000 1.413 512 I CB -0.338 37.160 38.000 -0.837 0.000 1.073 512 I HN 0.467 nan 8.210 nan 0.000 0.424 513 S N -2.072 113.480 115.700 -0.247 0.000 2.650 513 S HA 0.170 4.634 4.470 -0.011 0.000 0.240 513 S C 0.153 174.733 174.600 -0.033 0.000 1.007 513 S CA -0.476 57.657 58.200 -0.111 0.000 0.984 513 S CB 0.273 63.474 63.200 0.002 0.000 0.910 513 S HN 0.277 nan 8.310 nan 0.000 0.509 514 D N 0.710 121.100 120.400 -0.017 0.000 2.823 514 D HA 0.260 4.894 4.640 -0.011 0.000 0.255 514 D C 0.344 176.684 176.300 0.066 0.000 1.257 514 D CA -0.400 53.615 54.000 0.025 0.000 0.803 514 D CB 0.470 41.290 40.800 0.033 0.000 1.384 514 D HN 0.093 nan 8.370 nan 0.000 0.541 515 L N 1.279 122.541 121.223 0.065 0.000 2.265 515 L HA 0.010 4.343 4.340 -0.011 0.000 0.215 515 L C 1.399 178.321 176.870 0.088 0.000 1.117 515 L CA 1.499 56.408 54.840 0.115 0.000 0.782 515 L CB -0.080 42.040 42.059 0.102 0.000 0.914 515 L HN 0.264 nan 8.230 nan 0.000 0.441 516 D N -0.642 119.786 120.400 0.046 0.000 2.265 516 D HA -0.223 4.410 4.640 -0.011 0.000 0.208 516 D C 1.923 178.244 176.300 0.034 0.000 0.977 516 D CA 0.832 54.845 54.000 0.022 0.000 0.871 516 D CB 0.048 40.848 40.800 0.001 0.000 0.925 516 D HN 0.559 nan 8.370 nan 0.000 0.485 517 Q N -0.107 119.731 119.800 0.063 0.000 2.364 517 Q HA -0.037 4.297 4.340 -0.011 0.000 0.207 517 Q C 2.298 178.316 176.000 0.031 0.000 0.970 517 Q CA 0.224 56.064 55.803 0.063 0.000 0.888 517 Q CB 0.035 28.839 28.738 0.110 0.000 0.951 517 Q HN 0.394 nan 8.270 nan 0.000 0.469 518 L N 0.223 121.459 121.223 0.020 0.000 2.261 518 L HA -0.210 4.124 4.340 -0.011 0.000 0.216 518 L C 2.285 179.150 176.870 -0.008 0.000 1.114 518 L CA 0.955 55.774 54.840 -0.035 0.000 0.777 518 L CB -0.424 41.627 42.059 -0.015 0.000 0.910 518 L HN 0.222 nan 8.230 nan 0.000 0.440 519 R N 0.461 120.967 120.500 0.010 0.000 2.127 519 R HA -0.191 4.143 4.340 -0.011 0.000 0.238 519 R C 2.132 178.437 176.300 0.009 0.000 1.134 519 R CA 1.183 57.290 56.100 0.012 0.000 0.975 519 R CB -0.258 30.046 30.300 0.006 0.000 0.865 519 R HN 0.424 nan 8.270 nan 0.000 0.447 520 K N 0.623 121.027 120.400 0.008 0.000 2.211 520 K HA -0.127 4.187 4.320 -0.011 0.000 0.204 520 K C 1.907 178.541 176.600 0.058 0.000 1.047 520 K CA 0.976 57.275 56.287 0.020 0.000 0.935 520 K CB -0.148 32.370 32.500 0.029 0.000 0.728 520 K HN 0.221 nan 8.250 nan 0.000 0.452 521 L N 0.507 121.753 121.223 0.038 0.000 2.362 521 L HA -0.153 4.181 4.340 -0.011 0.000 0.219 521 L C 1.856 178.790 176.870 0.108 0.000 1.134 521 L CA 0.127 55.007 54.840 0.067 0.000 0.807 521 L CB -0.320 41.741 42.059 0.003 0.000 0.927 521 L HN 0.134 nan 8.230 nan 0.000 0.447 522 L N 0.121 121.375 121.223 0.052 0.000 2.187 522 L HA -0.189 4.145 4.340 -0.011 0.000 0.213 522 L C 2.691 179.550 176.870 -0.019 0.000 1.100 522 L CA 1.928 56.785 54.840 0.029 0.000 0.765 522 L CB -1.002 41.062 42.059 0.008 0.000 0.904 522 L HN 0.370 nan 8.230 nan 0.000 0.437 523 S N -2.751 112.890 115.700 -0.099 0.000 2.607 523 S HA -0.067 4.397 4.470 -0.011 0.000 0.224 523 S C 1.189 175.516 174.600 -0.456 0.000 0.969 523 S CA 0.199 58.237 58.200 -0.270 0.000 0.927 523 S CB -0.523 62.470 63.200 -0.345 0.000 0.772 523 S HN 0.466 nan 8.310 nan 0.000 0.533 524 Y N -0.496 119.746 120.300 -0.096 0.000 2.531 524 Y HA 0.435 4.983 4.550 -0.003 0.000 0.249 524 Y C 1.890 177.842 175.900 0.086 0.000 1.168 524 Y CA -0.591 57.459 58.100 -0.084 0.000 1.226 524 Y CB 0.188 38.410 38.460 -0.397 0.000 1.177 524 Y HN 0.252 nan 8.280 nan 0.000 0.527 525 V N 0.448 120.462 119.914 0.166 0.000 2.720 525 V HA -0.207 3.907 4.120 -0.011 0.000 0.256 525 V C 0.948 177.112 176.094 0.116 0.000 1.082 525 V CA 2.191 64.583 62.300 0.154 0.000 1.101 525 V CB -0.022 31.852 31.823 0.086 0.000 0.693 525 V HN 0.363 nan 8.190 nan 0.000 0.479 526 D N -0.869 119.582 120.400 0.084 0.000 2.398 526 D HA 0.101 4.734 4.640 -0.011 0.000 0.210 526 D C 0.435 176.785 176.300 0.083 0.000 1.094 526 D CA -0.016 54.021 54.000 0.062 0.000 0.839 526 D CB 0.123 40.937 40.800 0.023 0.000 0.963 526 D HN 0.427 nan 8.370 nan 0.000 0.506 527 D N 1.553 122.039 120.400 0.144 0.000 2.338 527 D HA -0.027 4.606 4.640 -0.011 0.000 0.255 527 D C 1.136 177.543 176.300 0.178 0.000 1.237 527 D CA 0.040 54.148 54.000 0.180 0.000 0.883 527 D CB 1.540 42.528 40.800 0.314 0.000 1.087 527 D HN -0.177 nan 8.370 nan 0.000 0.485 528 E N 3.175 123.444 120.200 0.114 0.000 2.110 528 E HA -0.147 4.197 4.350 -0.011 0.000 0.193 528 E C 1.746 178.398 176.600 0.087 0.000 0.988 528 E CA 1.360 57.810 56.400 0.083 0.000 0.804 528 E CB 0.014 29.746 29.700 0.054 0.000 0.745 528 E HN 0.596 nan 8.360 nan 0.000 0.458 529 A N -0.227 122.660 122.820 0.112 0.000 1.855 529 A HA -0.148 4.166 4.320 -0.011 0.000 0.215 529 A C 2.222 179.889 177.584 0.138 0.000 1.191 529 A CA 1.349 53.449 52.037 0.106 0.000 0.613 529 A CB -1.009 18.057 19.000 0.109 0.000 0.829 529 A HN 0.441 nan 8.150 nan 0.000 0.442 530 F N 0.453 120.417 119.950 0.022 0.000 2.102 530 F HA -0.190 4.331 4.527 -0.010 0.000 0.298 530 F C 2.080 177.882 175.800 0.004 0.000 1.105 530 F CA 1.730 59.726 58.000 -0.006 0.000 1.239 530 F CB -0.154 38.849 39.000 0.005 0.000 0.991 530 F HN 0.175 nan 8.300 nan 0.000 0.474 531 I N 0.344 120.926 120.570 0.021 0.000 2.113 531 I HA -0.406 3.758 4.170 -0.011 0.000 0.242 531 I C 2.619 178.672 176.117 -0.107 0.000 1.064 531 I CA 1.978 63.238 61.300 -0.068 0.000 1.320 531 I CB -0.567 37.447 38.000 0.023 0.000 1.028 531 I HN 0.137 nan 8.210 nan 0.000 0.406 532 R N 0.804 121.271 120.500 -0.055 0.000 2.081 532 R HA -0.195 4.139 4.340 -0.011 0.000 0.235 532 R C 1.870 178.117 176.300 -0.087 0.000 1.131 532 R CA 1.964 58.032 56.100 -0.053 0.000 0.960 532 R CB -0.178 30.111 30.300 -0.019 0.000 0.856 532 R HN 0.297 nan 8.270 nan 0.000 0.436 533 D N -0.116 120.214 120.400 -0.116 0.000 2.117 533 D HA -0.116 4.518 4.640 -0.011 0.000 0.198 533 D C 1.973 178.147 176.300 -0.210 0.000 0.982 533 D CA 1.258 55.178 54.000 -0.133 0.000 0.828 533 D CB -0.171 40.573 40.800 -0.094 0.000 0.967 533 D HN 0.089 nan 8.370 nan 0.000 0.464 534 V N 1.470 121.159 119.914 -0.375 0.000 2.287 534 V HA -0.258 3.855 4.120 -0.011 0.000 0.248 534 V C 2.516 178.512 176.094 -0.163 0.000 1.053 534 V CA 1.966 64.058 62.300 -0.347 0.000 1.027 534 V CB -0.811 30.714 31.823 -0.496 0.000 0.646 534 V HN 0.193 nan 8.190 nan 0.000 0.447 535 A N -0.583 122.162 122.820 -0.125 0.000 1.969 535 A HA -0.230 4.084 4.320 -0.011 0.000 0.218 535 A C 2.353 179.899 177.584 -0.062 0.000 1.169 535 A CA 1.987 53.985 52.037 -0.065 0.000 0.635 535 A CB -0.451 18.516 19.000 -0.054 0.000 0.810 535 A HN 0.530 nan 8.150 nan 0.000 0.445 536 K N -0.143 120.215 120.400 -0.069 0.000 2.057 536 K HA -0.085 4.229 4.320 -0.011 0.000 0.206 536 K C 1.803 178.377 176.600 -0.044 0.000 1.050 536 K CA 1.577 57.833 56.287 -0.052 0.000 0.935 536 K CB -0.256 32.216 32.500 -0.047 0.000 0.715 536 K HN 0.224 nan 8.250 nan 0.000 0.439 537 V N 1.771 121.653 119.914 -0.052 0.000 2.343 537 V HA -0.244 3.870 4.120 -0.011 0.000 0.247 537 V C 2.389 178.468 176.094 -0.025 0.000 1.051 537 V CA 2.004 64.283 62.300 -0.036 0.000 1.036 537 V CB -0.467 31.330 31.823 -0.045 0.000 0.654 537 V HN 0.358 nan 8.190 nan 0.000 0.451 538 K N 0.440 120.822 120.400 -0.029 0.000 2.026 538 K HA -0.229 4.085 4.320 -0.011 0.000 0.208 538 K C 2.174 178.747 176.600 -0.045 0.000 1.048 538 K CA 1.796 58.071 56.287 -0.020 0.000 0.929 538 K CB -0.514 31.988 32.500 0.004 0.000 0.713 538 K HN 0.369 nan 8.250 nan 0.000 0.439 539 Q N 1.055 120.823 119.800 -0.054 0.000 2.061 539 Q HA -0.145 4.188 4.340 -0.011 0.000 0.204 539 Q C 1.717 177.698 176.000 -0.033 0.000 0.984 539 Q CA 2.139 57.903 55.803 -0.065 0.000 0.846 539 Q CB -0.144 28.560 28.738 -0.056 0.000 0.902 539 Q HN 0.520 nan 8.270 nan 0.000 0.421 540 E N -0.484 119.708 120.200 -0.013 0.000 2.085 540 E HA -0.182 4.161 4.350 -0.011 0.000 0.194 540 E C 1.806 178.428 176.600 0.037 0.000 0.994 540 E CA 1.075 57.482 56.400 0.012 0.000 0.801 540 E CB -0.134 29.571 29.700 0.008 0.000 0.743 540 E HN 0.404 nan 8.360 nan 0.000 0.453 541 N N 1.005 119.723 118.700 0.031 0.000 2.120 541 N HA -0.140 4.594 4.740 -0.011 0.000 0.188 541 N C 1.541 177.124 175.510 0.121 0.000 1.024 541 N CA 1.092 54.179 53.050 0.063 0.000 0.852 541 N CB -0.116 38.392 38.487 0.034 0.000 1.003 541 N HN 0.143 nan 8.380 nan 0.000 0.424 542 K N 0.557 120.990 120.400 0.055 0.000 2.057 542 K HA 0.005 4.319 4.320 -0.011 0.000 0.206 542 K C 2.131 178.850 176.600 0.198 0.000 1.050 542 K CA 0.654 56.983 56.287 0.070 0.000 0.935 542 K CB -0.168 32.117 32.500 -0.358 0.000 0.715 542 K HN 0.103 nan 8.250 nan 0.000 0.439 543 L N 1.226 122.514 121.223 0.108 0.000 2.017 543 L HA -0.202 4.132 4.340 -0.011 0.000 0.208 543 L C 2.624 179.589 176.870 0.158 0.000 1.073 543 L CA 1.346 56.259 54.840 0.120 0.000 0.745 543 L CB -0.331 41.769 42.059 0.067 0.000 0.894 543 L HN 0.157 nan 8.230 nan 0.000 0.432 544 K N -0.349 120.147 120.400 0.161 0.000 2.063 544 K HA -0.247 4.067 4.320 -0.011 0.000 0.208 544 K C 2.191 178.947 176.600 0.259 0.000 1.048 544 K CA 1.707 58.100 56.287 0.177 0.000 0.928 544 K CB -0.168 32.422 32.500 0.150 0.000 0.713 544 K HN 0.091 nan 8.250 nan 0.000 0.442 545 F N 1.057 121.107 119.950 0.167 0.000 2.206 545 F HA -0.018 4.503 4.527 -0.011 0.000 0.298 545 F C 2.017 177.968 175.800 0.253 0.000 1.090 545 F CA 1.148 59.273 58.000 0.208 0.000 1.323 545 F CB -0.425 38.697 39.000 0.202 0.000 1.028 545 F HN 0.075 nan 8.300 nan 0.000 0.492 546 A N 0.155 123.128 122.820 0.255 0.000 1.978 546 A HA -0.082 4.232 4.320 -0.011 0.000 0.220 546 A C 2.372 179.987 177.584 0.052 0.000 1.170 546 A CA 1.781 53.902 52.037 0.139 0.000 0.636 546 A CB -1.419 17.730 19.000 0.248 0.000 0.810 546 A HN 0.453 nan 8.150 nan 0.000 0.448 547 A N -1.633 121.238 122.820 0.086 0.000 1.897 547 A HA -0.014 4.300 4.320 -0.011 0.000 0.215 547 A C 2.094 179.701 177.584 0.037 0.000 1.181 547 A CA 1.394 53.469 52.037 0.063 0.000 0.620 547 A CB -0.797 18.254 19.000 0.085 0.000 0.821 547 A HN 0.716 nan 8.150 nan 0.000 0.443 548 Y N 0.674 120.930 120.300 -0.073 0.000 2.165 548 Y HA -0.220 4.324 4.550 -0.011 0.000 0.286 548 Y C 1.915 177.747 175.900 -0.114 0.000 1.155 548 Y CA 1.964 60.009 58.100 -0.093 0.000 1.164 548 Y CB -0.251 38.147 38.460 -0.103 0.000 0.978 548 Y HN 0.222 nan 8.280 nan 0.000 0.513 549 L N -0.063 121.062 121.223 -0.164 0.000 2.046 549 L HA -0.211 4.123 4.340 -0.011 0.000 0.208 549 L C 2.466 179.290 176.870 -0.076 0.000 1.077 549 L CA 1.767 56.520 54.840 -0.144 0.000 0.747 549 L CB -0.530 41.396 42.059 -0.223 0.000 0.896 549 L HN 0.302 nan 8.230 nan 0.000 0.432 550 E N -0.233 119.931 120.200 -0.061 0.000 2.047 550 E HA -0.208 4.136 4.350 -0.011 0.000 0.191 550 E C 2.360 178.921 176.600 -0.065 0.000 0.987 550 E CA 0.983 57.372 56.400 -0.018 0.000 0.799 550 E CB 0.021 29.730 29.700 0.015 0.000 0.752 550 E HN 0.391 nan 8.360 nan 0.000 0.449 551 R N 0.541 120.970 120.500 -0.118 0.000 2.070 551 R HA -0.119 4.215 4.340 -0.011 0.000 0.233 551 R C 2.115 178.269 176.300 -0.243 0.000 1.137 551 R CA 1.247 57.257 56.100 -0.151 0.000 0.945 551 R CB -0.025 30.189 30.300 -0.144 0.000 0.845 551 R HN 0.122 nan 8.270 nan 0.000 0.430 552 E N -1.105 118.842 120.200 -0.421 0.000 2.340 552 E HA -0.038 4.305 4.350 -0.011 0.000 0.194 552 E C 0.612 176.745 176.600 -0.779 0.000 0.996 552 E CA 0.864 56.873 56.400 -0.650 0.000 0.869 552 E CB 0.472 29.578 29.700 -0.989 0.000 0.835 552 E HN 0.446 nan 8.360 nan 0.000 0.493 553 Y N -0.262 119.925 120.300 -0.188 0.000 2.610 553 Y HA 0.208 4.751 4.550 -0.011 0.000 0.254 553 Y C 0.256 176.123 175.900 -0.055 0.000 1.110 553 Y CA -0.603 57.437 58.100 -0.100 0.000 1.238 553 Y CB 0.827 39.230 38.460 -0.095 0.000 1.322 553 Y HN -0.254 nan 8.280 nan 0.000 0.547 554 K N 0.281 120.711 120.400 0.051 0.000 3.020 554 K HA -0.145 4.169 4.320 -0.011 0.000 0.266 554 K C -0.336 176.347 176.600 0.138 0.000 1.067 554 K CA 0.897 57.232 56.287 0.080 0.000 0.780 554 K CB -2.370 30.173 32.500 0.072 0.000 1.220 554 K HN 0.276 nan 8.250 nan 0.000 0.483 555 V N -1.017 118.936 119.914 0.064 0.000 2.472 555 V HA 0.582 4.695 4.120 -0.011 0.000 0.290 555 V C 0.260 176.311 176.094 -0.073 0.000 1.037 555 V CA -0.834 61.412 62.300 -0.090 0.000 0.908 555 V CB 1.290 33.027 31.823 -0.144 0.000 0.985 555 V HN 0.358 nan 8.190 nan 0.000 0.454 556 H N 4.291 123.350 119.070 -0.019 0.000 2.638 556 H HA 0.820 5.369 4.556 -0.011 0.000 0.317 556 H C -0.432 174.885 175.328 -0.017 0.000 1.006 556 H CA -0.869 55.172 56.048 -0.012 0.000 1.222 556 H CB 1.249 31.010 29.762 -0.002 0.000 1.419 556 H HN 0.928 nan 8.280 nan 0.000 0.489 557 I N -0.148 120.450 120.570 0.047 0.000 2.846 557 I HA 0.514 4.678 4.170 -0.011 0.000 0.307 557 I C -0.519 175.665 176.117 0.111 0.000 1.053 557 I CA -1.369 59.948 61.300 0.029 0.000 1.050 557 I CB 2.341 40.309 38.000 -0.052 0.000 1.239 557 I HN 0.424 nan 8.210 nan 0.000 0.439 558 N N 4.738 123.510 118.700 0.120 0.000 2.406 558 N HA 0.374 5.107 4.740 -0.011 0.000 0.251 558 N C -2.029 173.630 175.510 0.248 0.000 1.069 558 N CA -2.412 50.725 53.050 0.145 0.000 0.947 558 N CB 0.966 39.512 38.487 0.098 0.000 1.111 558 N HN 0.383 nan 8.380 nan 0.000 0.497 559 P HA 0.065 nan 4.420 nan 0.000 0.237 559 P C -0.159 177.142 177.300 0.002 0.000 1.178 559 P CA 0.851 64.054 63.100 0.172 0.000 0.766 559 P CB 0.191 31.959 31.700 0.113 0.000 0.876 560 N N -1.045 117.687 118.700 0.053 0.000 2.336 560 N HA 0.004 4.737 4.740 -0.011 0.000 0.189 560 N C 0.323 175.870 175.510 0.061 0.000 1.113 560 N CA -0.076 52.991 53.050 0.028 0.000 0.858 560 N CB 0.026 38.536 38.487 0.040 0.000 0.970 560 N HN 0.143 nan 8.380 nan 0.000 0.471 561 S N 0.025 115.781 115.700 0.092 0.000 2.632 561 S HA 0.230 4.693 4.470 -0.011 0.000 0.267 561 S C 0.032 174.613 174.600 -0.032 0.000 1.276 561 S CA -0.948 57.290 58.200 0.063 0.000 0.998 561 S CB 1.140 64.402 63.200 0.103 0.000 0.953 561 S HN 0.169 nan 8.310 nan 0.000 0.547 562 L N 1.975 123.012 121.223 -0.309 0.000 2.418 562 L HA 0.356 4.689 4.340 -0.011 0.000 0.274 562 L C -0.953 175.898 176.870 -0.031 0.000 1.135 562 L CA -0.502 53.971 54.840 -0.612 0.000 0.870 562 L CB -0.216 41.198 42.059 -1.075 0.000 1.154 562 L HN 0.695 nan 8.230 nan 0.000 0.462 563 F N 4.292 124.104 119.950 -0.230 0.000 2.405 563 F HA 0.121 4.643 4.527 -0.010 0.000 0.358 563 F C 0.363 176.095 175.800 -0.113 0.000 1.151 563 F CA -0.812 57.123 58.000 -0.109 0.000 1.161 563 F CB 0.641 39.625 39.000 -0.026 0.000 1.245 563 F HN 0.514 nan 8.300 nan 0.000 0.545 564 D N 4.749 125.149 120.400 -0.001 0.000 2.392 564 D HA 0.358 4.991 4.640 -0.011 0.000 0.228 564 D C -1.110 175.132 176.300 -0.096 0.000 1.074 564 D CA -0.226 53.732 54.000 -0.070 0.000 0.838 564 D CB 1.539 42.281 40.800 -0.096 0.000 1.067 564 D HN 0.122 nan 8.370 nan 0.000 0.511 565 V N 4.503 124.342 119.914 -0.126 0.000 2.531 565 V HA 0.385 4.498 4.120 -0.011 0.000 0.301 565 V C -0.312 175.637 176.094 -0.242 0.000 1.034 565 V CA -0.811 61.401 62.300 -0.146 0.000 0.865 565 V CB 1.777 33.586 31.823 -0.022 0.000 0.995 565 V HN 0.538 nan 8.190 nan 0.000 0.424 566 Q N 3.813 123.486 119.800 -0.211 0.000 2.394 566 Q HA 0.647 4.980 4.340 -0.011 0.000 0.261 566 Q C -1.385 174.452 176.000 -0.271 0.000 1.023 566 Q CA -0.455 55.209 55.803 -0.232 0.000 0.720 566 Q CB 1.935 30.563 28.738 -0.183 0.000 1.241 566 Q HN 0.793 nan 8.270 nan 0.000 0.483 567 V N 1.566 121.308 119.914 -0.287 0.000 2.487 567 V HA 0.878 4.992 4.120 -0.011 0.000 0.298 567 V C -0.950 174.863 176.094 -0.468 0.000 1.028 567 V CA -0.543 61.402 62.300 -0.591 0.000 0.860 567 V CB 1.227 32.484 31.823 -0.944 0.000 0.991 567 V HN 0.828 nan 8.190 nan 0.000 0.427 568 K N 2.533 122.685 120.400 -0.413 0.000 3.040 568 K HA 0.406 4.720 4.320 -0.011 0.000 0.300 568 K C -1.251 175.339 176.600 -0.017 0.000 1.092 568 K CA -1.196 55.041 56.287 -0.084 0.000 0.831 568 K CB 0.801 33.249 32.500 -0.086 0.000 1.469 568 K HN 0.461 nan 8.250 nan 0.000 0.365 569 R N 0.954 121.500 120.500 0.077 0.000 2.698 569 R HA 0.154 4.487 4.340 -0.011 0.000 0.266 569 R C 0.342 176.666 176.300 0.041 0.000 1.026 569 R CA -0.302 55.859 56.100 0.101 0.000 1.102 569 R CB -0.135 30.255 30.300 0.149 0.000 0.978 569 R HN 0.470 nan 8.270 nan 0.000 0.436 570 I N 4.049 124.653 120.570 0.057 0.000 2.452 570 I HA 0.106 4.270 4.170 -0.011 0.000 0.287 570 I C 0.725 176.831 176.117 -0.018 0.000 1.079 570 I CA 0.542 61.831 61.300 -0.019 0.000 1.387 570 I CB -0.287 37.688 38.000 -0.041 0.000 1.404 570 I HN 0.347 nan 8.210 nan 0.000 0.522 571 H N 4.994 123.964 119.070 -0.166 0.000 3.038 571 H HA 0.209 4.759 4.556 -0.011 0.000 0.362 571 H C 0.420 175.635 175.328 -0.189 0.000 1.167 571 H CA -0.374 55.621 56.048 -0.088 0.000 1.197 571 H CB 1.860 31.573 29.762 -0.081 0.000 1.840 571 H HN 0.592 nan 8.280 nan 0.000 0.540 572 E N 2.014 122.288 120.200 0.124 0.000 2.118 572 E HA -0.246 4.098 4.350 -0.011 0.000 0.195 572 E C 1.352 177.797 176.600 -0.257 0.000 0.992 572 E CA 1.921 58.363 56.400 0.070 0.000 0.804 572 E CB -0.056 29.840 29.700 0.326 0.000 0.741 572 E HN 0.581 nan 8.360 nan 0.000 0.458 573 Y N 0.653 120.592 120.300 -0.601 0.000 2.352 573 Y HA -0.026 4.517 4.550 -0.011 0.000 0.292 573 Y C 1.518 177.151 175.900 -0.444 0.000 1.136 573 Y CA 0.852 58.290 58.100 -1.104 0.000 1.227 573 Y CB -0.099 37.677 38.460 -1.139 0.000 0.991 573 Y HN -0.203 nan 8.280 nan 0.000 0.545 574 K N 0.644 120.571 120.400 -0.789 0.000 2.432 574 K HA 0.079 4.393 4.320 -0.011 0.000 0.196 574 K C 0.185 176.613 176.600 -0.287 0.000 1.038 574 K CA 0.534 56.480 56.287 -0.569 0.000 0.986 574 K CB -0.018 32.132 32.500 -0.584 0.000 0.782 574 K HN 0.238 nan 8.250 nan 0.000 0.485 575 R N 0.288 120.655 120.500 -0.223 0.000 3.423 575 R HA -0.230 4.103 4.340 -0.011 0.000 0.271 575 R C 0.313 176.537 176.300 -0.125 0.000 1.093 575 R CA 0.244 56.265 56.100 -0.132 0.000 0.730 575 R CB -1.986 28.251 30.300 -0.105 0.000 1.190 575 R HN 0.288 nan 8.270 nan 0.000 0.437 576 Q N 0.371 120.095 119.800 -0.128 0.000 2.248 576 Q HA -0.112 4.222 4.340 -0.011 0.000 0.208 576 Q C 2.031 177.985 176.000 -0.076 0.000 0.984 576 Q CA 1.679 57.422 55.803 -0.101 0.000 0.875 576 Q CB -0.046 28.635 28.738 -0.095 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.694 120.488 121.223 -0.069 0.000 2.083 577 L HA -0.173 4.160 4.340 -0.011 0.000 0.209 577 L C 2.016 178.892 176.870 0.009 0.000 1.083 577 L CA 0.484 55.300 54.840 -0.042 0.000 0.752 577 L CB -0.334 41.711 42.059 -0.024 0.000 0.899 577 L HN 0.306 nan 8.230 nan 0.000 0.433 578 L N 0.087 121.308 121.223 -0.002 0.000 2.046 578 L HA -0.237 4.096 4.340 -0.011 0.000 0.208 578 L C 2.039 178.971 176.870 0.103 0.000 1.077 578 L CA 1.888 56.740 54.840 0.019 0.000 0.747 578 L CB -0.839 41.124 42.059 -0.160 0.000 0.896 578 L HN 0.280 nan 8.230 nan 0.000 0.432 579 N N -1.597 117.128 118.700 0.042 0.000 2.069 579 N HA -0.251 4.482 4.740 -0.011 0.000 0.191 579 N C 1.959 177.550 175.510 0.136 0.000 1.031 579 N CA 1.795 54.943 53.050 0.163 0.000 0.852 579 N CB -0.152 38.362 38.487 0.045 0.000 1.018 579 N HN 0.496 nan 8.380 nan 0.000 0.423 580 C N 0.605 119.920 119.300 0.026 0.000 2.401 580 C HA -0.104 4.349 4.460 -0.011 0.000 0.276 580 C C 2.607 177.589 174.990 -0.013 0.000 1.233 580 C CA 0.429 59.416 59.018 -0.052 0.000 1.753 580 C CB -1.308 26.349 27.740 -0.139 0.000 2.029 580 C HN 0.505 nan 8.230 nan 0.000 0.478 581 L N -0.442 120.836 121.223 0.091 0.000 2.046 581 L HA -0.195 4.138 4.340 -0.011 0.000 0.208 581 L C 2.772 179.796 176.870 0.257 0.000 1.077 581 L CA 1.805 56.746 54.840 0.169 0.000 0.747 581 L CB -1.039 41.186 42.059 0.276 0.000 0.896 581 L HN 0.588 nan 8.230 nan 0.000 0.432 582 H N -0.090 119.089 119.070 0.181 0.000 2.353 582 H HA -0.136 4.414 4.556 -0.011 0.000 0.300 582 H C 2.239 177.557 175.328 -0.018 0.000 1.090 582 H CA 1.853 57.922 56.048 0.035 0.000 1.327 582 H CB 0.335 30.037 29.762 -0.101 0.000 1.383 582 H HN 0.092 nan 8.280 nan 0.000 0.508 583 V N 1.589 121.419 119.914 -0.140 0.000 2.287 583 V HA -0.284 3.829 4.120 -0.011 0.000 0.248 583 V C 2.814 178.837 176.094 -0.118 0.000 1.053 583 V CA 1.972 64.154 62.300 -0.197 0.000 1.027 583 V CB -0.509 31.242 31.823 -0.121 0.000 0.646 583 V HN 0.392 nan 8.190 nan 0.000 0.447 584 I N -0.253 120.285 120.570 -0.054 0.000 2.315 584 I HA -0.211 3.953 4.170 -0.011 0.000 0.248 584 I C 2.505 178.672 176.117 0.084 0.000 1.117 584 I CA 1.665 63.000 61.300 0.058 0.000 1.404 584 I CB -0.781 37.229 38.000 0.017 0.000 1.071 584 I HN 0.319 nan 8.210 nan 0.000 0.419 585 T N 1.391 115.958 114.554 0.023 0.000 2.684 585 T HA -0.174 4.170 4.350 -0.011 0.000 0.267 585 T C 1.888 176.547 174.700 -0.069 0.000 1.036 585 T CA 1.345 63.451 62.100 0.010 0.000 1.148 585 T CB -0.303 68.603 68.868 0.063 0.000 0.863 585 T HN 0.080 nan 8.240 nan 0.000 0.436 586 L N 0.029 121.143 121.223 -0.180 0.000 2.012 586 L HA -0.027 4.306 4.340 -0.011 0.000 0.210 586 L C 2.110 178.942 176.870 -0.063 0.000 1.073 586 L CA 1.566 56.295 54.840 -0.184 0.000 0.748 586 L CB -1.112 40.761 42.059 -0.311 0.000 0.891 586 L HN 0.367 nan 8.230 nan 0.000 0.431 587 Y N 0.320 120.555 120.300 -0.109 0.000 2.128 587 Y HA -0.304 4.240 4.550 -0.011 0.000 0.284 587 Y C 2.452 178.329 175.900 -0.038 0.000 1.154 587 Y CA 1.875 59.948 58.100 -0.044 0.000 1.149 587 Y CB -0.103 38.374 38.460 0.028 0.000 0.976 587 Y HN 0.281 nan 8.280 nan 0.000 0.505 588 N N 0.460 119.109 118.700 -0.086 0.000 2.166 588 N HA -0.152 4.582 4.740 -0.011 0.000 0.186 588 N C 1.827 177.225 175.510 -0.187 0.000 1.019 588 N CA 1.557 54.496 53.050 -0.185 0.000 0.856 588 N CB -0.376 38.065 38.487 -0.077 0.000 0.993 588 N HN 0.443 nan 8.380 nan 0.000 0.426 589 R N 0.351 120.770 120.500 -0.136 0.000 2.092 589 R HA 0.071 4.405 4.340 -0.011 0.000 0.231 589 R C 2.226 178.443 176.300 -0.138 0.000 1.119 589 R CA 0.763 56.792 56.100 -0.118 0.000 0.970 589 R CB -0.248 29.994 30.300 -0.097 0.000 0.864 589 R HN 0.240 nan 8.270 nan 0.000 0.440 590 I N 0.953 121.421 120.570 -0.169 0.000 2.179 590 I HA -0.274 3.889 4.170 -0.011 0.000 0.242 590 I C 2.123 178.124 176.117 -0.194 0.000 1.088 590 I CA 1.224 62.424 61.300 -0.167 0.000 1.357 590 I CB -0.190 37.716 38.000 -0.157 0.000 1.051 590 I HN 0.024 nan 8.210 nan 0.000 0.409 591 K N 0.863 121.081 120.400 -0.303 0.000 2.147 591 K HA -0.203 4.111 4.320 -0.011 0.000 0.205 591 K C 2.021 178.521 176.600 -0.167 0.000 1.049 591 K CA 1.172 57.293 56.287 -0.276 0.000 0.936 591 K CB -0.290 31.962 32.500 -0.415 0.000 0.722 591 K HN 0.333 nan 8.250 nan 0.000 0.446 592 K N 1.174 121.483 120.400 -0.152 0.000 2.062 592 K HA -0.083 4.230 4.320 -0.011 0.000 0.205 592 K C 0.041 176.594 176.600 -0.078 0.000 1.051 592 K CA 1.069 57.295 56.287 -0.103 0.000 0.941 592 K CB 0.341 32.784 32.500 -0.094 0.000 0.719 592 K HN 0.062 nan 8.250 nan 0.000 0.440 593 E N 0.288 120.440 120.200 -0.079 0.000 3.037 593 E HA 0.122 4.465 4.350 -0.011 0.000 0.220 593 E C -2.320 174.247 176.600 -0.056 0.000 1.142 593 E CA -1.647 54.720 56.400 -0.056 0.000 0.888 593 E CB 1.720 31.394 29.700 -0.044 0.000 1.329 593 E HN 0.147 nan 8.360 nan 0.000 0.409 594 P HA -0.118 nan 4.420 nan 0.000 0.220 594 P C 0.217 177.499 177.300 -0.029 0.000 1.148 594 P CA 1.144 64.214 63.100 -0.051 0.000 0.803 594 P CB 0.201 31.875 31.700 -0.043 0.000 0.782 595 N N -1.257 117.434 118.700 -0.015 0.000 2.235 595 N HA 0.028 4.762 4.740 -0.011 0.000 0.209 595 N C 0.522 176.048 175.510 0.025 0.000 1.122 595 N CA -0.177 52.877 53.050 0.006 0.000 0.845 595 N CB 0.189 38.680 38.487 0.007 0.000 1.004 595 N HN 0.037 nan 8.380 nan 0.000 0.499 596 K N 1.201 121.610 120.400 0.014 0.000 2.174 596 K HA 0.132 4.446 4.320 -0.011 0.000 0.275 596 K C -0.869 175.770 176.600 0.065 0.000 1.015 596 K CA -0.538 55.773 56.287 0.040 0.000 0.933 596 K CB 0.661 33.167 32.500 0.009 0.000 1.025 596 K HN -0.067 nan 8.250 nan 0.000 0.463 597 F N 4.665 124.602 119.950 -0.020 0.000 2.495 597 F HA 0.189 4.710 4.527 -0.011 0.000 0.365 597 F C -0.399 175.387 175.800 -0.023 0.000 1.090 597 F CA -0.126 57.862 58.000 -0.018 0.000 1.235 597 F CB 0.639 39.631 39.000 -0.014 0.000 1.119 597 F HN 0.188 nan 8.300 nan 0.000 0.562 598 V N 4.267 123.658 119.914 -0.873 0.000 2.789 598 V HA 0.544 4.658 4.120 -0.011 0.000 0.311 598 V C -0.725 174.771 176.094 -0.998 0.000 1.073 598 V CA -1.219 60.676 62.300 -0.674 0.000 0.921 598 V CB 1.005 32.622 31.823 -0.343 0.000 1.009 598 V HN 0.578 nan 8.190 nan 0.000 0.426 599 V N 4.839 124.445 119.914 -0.513 0.000 2.493 599 V HA 0.187 4.300 4.120 -0.011 0.000 0.292 599 V C -1.824 174.108 176.094 -0.270 0.000 1.016 599 V CA -0.402 61.728 62.300 -0.284 0.000 1.097 599 V CB 0.326 32.108 31.823 -0.068 0.000 0.947 599 V HN 0.906 nan 8.190 nan 0.000 0.479 600 P HA 0.336 nan 4.420 nan 0.000 0.271 600 P C -0.411 176.799 177.300 -0.149 0.000 1.216 600 P CA -0.079 62.928 63.100 -0.155 0.000 0.771 600 P CB 0.556 32.211 31.700 -0.075 0.000 0.864 601 R N 1.111 121.532 120.500 -0.131 0.000 2.750 601 R HA 0.572 4.905 4.340 -0.011 0.000 0.281 601 R C -0.712 175.539 176.300 -0.082 0.000 0.972 601 R CA -0.652 55.373 56.100 -0.125 0.000 0.912 601 R CB 1.929 32.140 30.300 -0.149 0.000 1.187 601 R HN 0.303 nan 8.270 nan 0.000 0.464 602 T N 1.996 116.512 114.554 -0.064 0.000 2.788 602 T HA 0.244 4.587 4.350 -0.011 0.000 0.296 602 T C -0.261 174.337 174.700 -0.170 0.000 1.009 602 T CA -0.495 61.516 62.100 -0.147 0.000 0.949 602 T CB 1.178 69.871 68.868 -0.292 0.000 0.946 602 T HN 0.138 nan 8.240 nan 0.000 0.453 603 V N 5.869 125.693 119.914 -0.149 0.000 2.385 603 V HA 0.421 4.534 4.120 -0.011 0.000 0.269 603 V C 0.060 176.065 176.094 -0.149 0.000 1.043 603 V CA -0.397 61.824 62.300 -0.131 0.000 0.906 603 V CB 0.692 32.454 31.823 -0.102 0.000 0.995 603 V HN 0.857 nan 8.190 nan 0.000 0.467 604 M N 6.642 126.147 119.600 -0.158 0.000 2.243 604 M HA 0.618 5.092 4.480 -0.011 0.000 0.324 604 M C -1.019 175.168 176.300 -0.188 0.000 1.031 604 M CA -0.172 55.025 55.300 -0.172 0.000 0.949 604 M CB 2.042 34.541 32.600 -0.169 0.000 1.615 604 M HN 0.424 nan 8.290 nan 0.000 0.430 605 I N 1.834 122.270 120.570 -0.223 0.000 2.498 605 I HA 0.841 5.004 4.170 -0.011 0.000 0.290 605 I C 0.069 175.837 176.117 -0.582 0.000 1.032 605 I CA -0.667 60.471 61.300 -0.269 0.000 1.073 605 I CB 2.306 40.241 38.000 -0.108 0.000 1.251 605 I HN 0.798 nan 8.210 nan 0.000 0.426 606 G N 2.876 111.302 108.800 -0.624 0.000 2.690 606 G HA2 0.841 4.795 3.960 -0.011 0.000 0.293 606 G HA3 0.841 4.795 3.960 -0.011 0.000 0.293 606 G C -1.016 173.577 174.900 -0.512 0.000 1.399 606 G CA -0.758 43.816 45.100 -0.876 0.000 0.890 606 G HN 1.001 nan 8.290 nan 0.000 0.485 607 G N -0.472 108.188 108.800 -0.233 0.000 2.337 607 G HA2 0.401 4.355 3.960 -0.011 0.000 0.310 607 G HA3 0.401 4.355 3.960 -0.011 0.000 0.310 607 G C -1.274 173.764 174.900 0.231 0.000 1.534 607 G CA -1.029 44.105 45.100 0.056 0.000 0.982 607 G HN 0.602 nan 8.290 nan 0.000 0.672 608 K N -0.109 120.424 120.400 0.222 0.000 2.118 608 K HA 0.744 5.057 4.320 -0.011 0.000 0.267 608 K C 0.286 177.032 176.600 0.243 0.000 0.991 608 K CA -0.153 56.283 56.287 0.249 0.000 0.916 608 K CB 1.982 34.534 32.500 0.087 0.000 1.041 608 K HN 0.872 nan 8.250 nan 0.000 0.455 609 A N 1.453 124.446 122.820 0.289 0.000 2.305 609 A HA 0.616 4.929 4.320 -0.011 0.000 0.322 609 A C -0.409 177.362 177.584 0.311 0.000 1.187 609 A CA -0.730 51.425 52.037 0.197 0.000 0.825 609 A CB 0.964 19.995 19.000 0.051 0.000 1.164 609 A HN 0.779 nan 8.150 nan 0.000 0.498 610 A N 3.797 126.788 122.820 0.285 0.000 2.546 610 A HA 0.442 4.756 4.320 -0.011 0.000 0.243 610 A C -1.367 176.302 177.584 0.142 0.000 1.063 610 A CA -0.693 51.504 52.037 0.267 0.000 0.757 610 A CB -0.369 18.766 19.000 0.226 0.000 0.991 610 A HN 0.605 nan 8.150 nan 0.000 0.503 611 P HA -0.148 nan 4.420 nan 0.000 0.217 611 P C 1.395 178.685 177.300 -0.017 0.000 1.148 611 P CA 1.975 65.018 63.100 -0.095 0.000 0.828 611 P CB 0.190 31.777 31.700 -0.188 0.000 0.783 612 G N -2.954 105.858 108.800 0.020 0.000 2.985 612 G HA2 -0.116 3.838 3.960 -0.011 0.000 0.209 612 G HA3 -0.116 3.838 3.960 -0.011 0.000 0.209 612 G C -0.062 174.868 174.900 0.050 0.000 1.165 612 G CA -0.127 44.984 45.100 0.018 0.000 0.776 612 G HN 0.316 nan 8.290 nan 0.000 0.541 613 Y N 1.646 121.886 120.300 -0.100 0.000 2.650 613 Y HA 0.196 4.740 4.550 -0.011 0.000 0.343 613 Y C 1.636 177.510 175.900 -0.044 0.000 1.078 613 Y CA -1.056 56.961 58.100 -0.138 0.000 1.356 613 Y CB 0.097 38.443 38.460 -0.191 0.000 1.204 613 Y HN 0.286 nan 8.280 nan 0.000 0.508 614 H N 4.159 123.335 119.070 0.177 0.000 2.319 614 H HA -0.222 4.328 4.556 -0.011 0.000 0.299 614 H C 1.795 177.137 175.328 0.023 0.000 1.092 614 H CA 2.300 58.394 56.048 0.077 0.000 1.302 614 H CB 0.383 30.184 29.762 0.065 0.000 1.373 614 H HN 0.729 nan 8.280 nan 0.000 0.497 615 M N 0.998 120.563 119.600 -0.058 0.000 2.117 615 M HA -0.070 4.404 4.480 -0.011 0.000 0.262 615 M C 2.531 178.579 176.300 -0.421 0.000 1.065 615 M CA 1.798 56.975 55.300 -0.205 0.000 1.114 615 M CB -0.634 31.980 32.600 0.024 0.000 1.361 615 M HN 0.337 nan 8.290 nan 0.000 0.408 616 A N -0.370 121.960 122.820 -0.816 0.000 1.933 616 A HA -0.184 4.130 4.320 -0.011 0.000 0.218 616 A C 2.178 179.556 177.584 -0.344 0.000 1.175 616 A CA 1.801 53.404 52.037 -0.723 0.000 0.628 616 A CB -0.641 17.719 19.000 -1.066 0.000 0.814 616 A HN 0.583 nan 8.150 nan 0.000 0.444 617 K N -1.085 119.164 120.400 -0.251 0.000 2.097 617 K HA -0.058 4.256 4.320 -0.011 0.000 0.205 617 K C 1.900 178.452 176.600 -0.080 0.000 1.050 617 K CA 1.271 57.502 56.287 -0.094 0.000 0.938 617 K CB -0.218 32.287 32.500 0.008 0.000 0.718 617 K HN 0.349 nan 8.250 nan 0.000 0.442 618 M N 0.458 119.955 119.600 -0.171 0.000 2.229 618 M HA -0.066 4.408 4.480 -0.011 0.000 0.264 618 M C 2.107 178.342 176.300 -0.109 0.000 1.063 618 M CA 1.347 56.588 55.300 -0.098 0.000 1.114 618 M CB -0.590 31.923 32.600 -0.144 0.000 1.387 618 M HN 0.120 nan 8.290 nan 0.000 0.420 619 I N -0.133 120.333 120.570 -0.175 0.000 2.252 619 I HA -0.291 3.872 4.170 -0.011 0.000 0.245 619 I C 2.273 178.261 176.117 -0.216 0.000 1.102 619 I CA 1.011 62.199 61.300 -0.187 0.000 1.385 619 I CB -0.275 37.614 38.000 -0.184 0.000 1.064 619 I HN 0.161 nan 8.210 nan 0.000 0.414 620 I N 0.654 121.078 120.570 -0.243 0.000 2.163 620 I HA -0.319 3.844 4.170 -0.011 0.000 0.243 620 I C 2.603 178.445 176.117 -0.457 0.000 1.085 620 I CA 1.299 62.356 61.300 -0.405 0.000 1.347 620 I CB -0.328 37.407 38.000 -0.442 0.000 1.044 620 I HN 0.155 nan 8.210 nan 0.000 0.408 621 K N 1.530 121.682 120.400 -0.413 0.000 2.063 621 K HA -0.166 4.148 4.320 -0.011 0.000 0.208 621 K C 2.054 178.498 176.600 -0.260 0.000 1.048 621 K CA 1.539 57.508 56.287 -0.531 0.000 0.928 621 K CB -0.617 31.318 32.500 -0.941 0.000 0.713 621 K HN 0.231 nan 8.250 nan 0.000 0.442 622 L N 0.396 121.489 121.223 -0.218 0.000 2.012 622 L HA -0.195 4.139 4.340 -0.011 0.000 0.210 622 L C 2.210 178.842 176.870 -0.396 0.000 1.073 622 L CA 1.803 56.339 54.840 -0.508 0.000 0.748 622 L CB -0.303 41.369 42.059 -0.645 0.000 0.891 622 L HN 0.283 nan 8.230 nan 0.000 0.431 623 I N -0.262 120.128 120.570 -0.299 0.000 2.179 623 I HA -0.331 3.832 4.170 -0.011 0.000 0.242 623 I C 2.632 178.644 176.117 -0.177 0.000 1.088 623 I CA 1.920 63.096 61.300 -0.206 0.000 1.357 623 I CB -0.574 37.385 38.000 -0.068 0.000 1.051 623 I HN 0.430 nan 8.210 nan 0.000 0.409 624 T N -0.849 113.575 114.554 -0.217 0.000 2.821 624 T HA -0.068 4.276 4.350 -0.011 0.000 0.267 624 T C 1.995 176.629 174.700 -0.110 0.000 1.046 624 T CA 0.924 62.926 62.100 -0.163 0.000 1.139 624 T CB -0.493 68.237 68.868 -0.229 0.000 0.871 624 T HN 0.334 nan 8.240 nan 0.000 0.454 625 A N 1.582 124.336 122.820 -0.109 0.000 1.902 625 A HA 0.123 4.436 4.320 -0.011 0.000 0.217 625 A C 2.378 179.988 177.584 0.044 0.000 1.181 625 A CA 1.345 53.390 52.037 0.014 0.000 0.623 625 A CB -0.845 18.261 19.000 0.178 0.000 0.818 625 A HN 0.590 nan 8.150 nan 0.000 0.443 626 I N -0.256 120.229 120.570 -0.140 0.000 2.179 626 I HA -0.210 3.953 4.170 -0.011 0.000 0.242 626 I C 2.725 178.801 176.117 -0.068 0.000 1.088 626 I CA 1.166 62.362 61.300 -0.173 0.000 1.357 626 I CB -0.657 37.107 38.000 -0.392 0.000 1.051 626 I HN 0.389 nan 8.210 nan 0.000 0.409 627 G N 0.426 109.174 108.800 -0.088 0.000 2.440 627 G HA2 -0.273 3.681 3.960 -0.011 0.000 0.218 627 G HA3 -0.273 3.681 3.960 -0.011 0.000 0.218 627 G C 1.281 176.157 174.900 -0.039 0.000 1.154 627 G CA 1.056 46.107 45.100 -0.082 0.000 0.767 627 G HN 0.288 nan 8.290 nan 0.000 0.552 628 D N 0.017 120.438 120.400 0.036 0.000 2.149 628 D HA -0.094 4.539 4.640 -0.011 0.000 0.198 628 D C 2.707 179.117 176.300 0.183 0.000 0.990 628 D CA 0.820 54.909 54.000 0.149 0.000 0.839 628 D CB -0.227 40.627 40.800 0.091 0.000 0.948 628 D HN 0.251 nan 8.370 nan 0.000 0.460 629 V N 0.177 120.134 119.914 0.071 0.000 2.331 629 V HA -0.133 3.980 4.120 -0.011 0.000 0.242 629 V C 2.598 178.642 176.094 -0.084 0.000 1.034 629 V CA 0.752 63.041 62.300 -0.018 0.000 1.027 629 V CB -0.225 31.548 31.823 -0.082 0.000 0.667 629 V HN 0.025 nan 8.190 nan 0.000 0.457 630 V N 0.940 120.747 119.914 -0.178 0.000 2.358 630 V HA -0.190 3.924 4.120 -0.011 0.000 0.246 630 V C 2.123 178.160 176.094 -0.096 0.000 1.047 630 V CA 1.977 64.156 62.300 -0.202 0.000 1.035 630 V CB -0.838 30.863 31.823 -0.204 0.000 0.658 630 V HN 0.566 nan 8.190 nan 0.000 0.452 631 N N -0.364 118.220 118.700 -0.193 0.000 2.512 631 N HA -0.075 4.659 4.740 -0.011 0.000 0.183 631 N C 1.243 176.495 175.510 -0.430 0.000 1.073 631 N CA 0.874 53.725 53.050 -0.331 0.000 0.911 631 N CB -0.253 37.953 38.487 -0.470 0.000 0.964 631 N HN 0.688 nan 8.380 nan 0.000 0.447 632 H N -1.533 117.549 119.070 0.021 0.000 2.784 632 H HA 0.193 4.743 4.556 -0.011 0.000 0.273 632 H C -0.431 174.922 175.328 0.041 0.000 1.112 632 H CA -0.471 55.595 56.048 0.030 0.000 1.162 632 H CB 0.656 30.426 29.762 0.013 0.000 1.586 632 H HN -0.011 nan 8.280 nan 0.000 0.548 633 D N 1.911 122.390 120.400 0.132 0.000 2.325 633 D HA 0.029 4.663 4.640 -0.011 0.000 0.251 633 D C -1.628 174.738 176.300 0.109 0.000 1.196 633 D CA -2.042 52.049 54.000 0.151 0.000 0.866 633 D CB 1.641 42.603 40.800 0.271 0.000 1.101 633 D HN 0.110 nan 8.370 nan 0.000 0.476 634 P HA -0.107 nan 4.420 nan 0.000 0.218 634 P C 1.579 178.906 177.300 0.045 0.000 1.149 634 P CA 0.323 63.458 63.100 0.058 0.000 0.817 634 P CB 0.416 32.143 31.700 0.046 0.000 0.785 635 V N -0.561 119.380 119.914 0.045 0.000 2.515 635 V HA -0.158 3.955 4.120 -0.011 0.000 0.250 635 V C 2.451 178.554 176.094 0.014 0.000 1.058 635 V CA 1.450 63.762 62.300 0.020 0.000 1.064 635 V CB -0.949 30.875 31.823 0.001 0.000 0.675 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.252 119.689 119.914 0.046 0.000 2.379 636 V HA 0.106 4.219 4.120 -0.011 0.000 0.245 636 V C 1.820 177.926 176.094 0.019 0.000 1.044 636 V CA 1.550 63.876 62.300 0.042 0.000 1.036 636 V CB -1.102 30.792 31.823 0.118 0.000 0.664 636 V HN 0.728 nan 8.190 nan 0.000 0.453 637 G N 1.578 110.395 108.800 0.029 0.000 2.556 637 G HA2 -0.372 3.581 3.960 -0.011 0.000 0.283 637 G HA3 -0.372 3.581 3.960 -0.011 0.000 0.283 637 G C 0.314 175.223 174.900 0.015 0.000 1.177 637 G CA 0.461 45.574 45.100 0.021 0.000 0.978 637 G HN 0.677 nan 8.290 nan 0.000 0.554 638 D N 0.369 120.776 120.400 0.011 0.000 2.427 638 D HA 0.190 4.823 4.640 -0.011 0.000 0.224 638 D C 1.802 178.093 176.300 -0.013 0.000 1.157 638 D CA 0.036 54.041 54.000 0.009 0.000 0.828 638 D CB -0.076 40.741 40.800 0.027 0.000 0.974 638 D HN 0.592 nan 8.370 nan 0.000 0.498 639 R N -0.686 119.794 120.500 -0.033 0.000 2.161 639 R HA 0.198 4.531 4.340 -0.011 0.000 0.213 639 R C -0.034 176.219 176.300 -0.080 0.000 1.055 639 R CA 0.292 56.346 56.100 -0.076 0.000 0.996 639 R CB 0.301 30.538 30.300 -0.105 0.000 0.901 639 R HN 0.113 nan 8.270 nan 0.000 0.456 640 L N 0.675 121.868 121.223 -0.051 0.000 2.516 640 L HA 0.386 4.720 4.340 -0.011 0.000 0.267 640 L C -1.525 175.311 176.870 -0.057 0.000 0.957 640 L CA -0.482 54.324 54.840 -0.056 0.000 0.860 640 L CB 1.777 43.817 42.059 -0.032 0.000 1.265 640 L HN -0.181 nan 8.230 nan 0.000 0.403 641 R N 3.804 124.254 120.500 -0.084 0.000 2.621 641 R HA 0.799 5.132 4.340 -0.011 0.000 0.292 641 R C -1.626 174.598 176.300 -0.126 0.000 0.969 641 R CA -0.806 55.228 56.100 -0.111 0.000 0.887 641 R CB 2.442 32.670 30.300 -0.120 0.000 1.180 641 R HN 0.417 nan 8.270 nan 0.000 0.450 642 V N 4.758 124.593 119.914 -0.132 0.000 2.407 642 V HA 0.478 4.591 4.120 -0.011 0.000 0.291 642 V C -0.264 175.761 176.094 -0.115 0.000 1.018 642 V CA -0.757 61.470 62.300 -0.122 0.000 0.842 642 V CB 1.888 33.641 31.823 -0.116 0.000 0.996 642 V HN 0.494 nan 8.190 nan 0.000 0.426 643 I N 4.708 125.211 120.570 -0.111 0.000 2.465 643 I HA 0.427 4.591 4.170 -0.011 0.000 0.291 643 I C -0.664 175.422 176.117 -0.051 0.000 1.014 643 I CA -0.708 60.534 61.300 -0.098 0.000 1.093 643 I CB 1.856 39.767 38.000 -0.149 0.000 1.267 643 I HN 0.577 nan 8.210 nan 0.000 0.431 644 F N 6.736 126.606 119.950 -0.134 0.000 2.405 644 F HA 0.444 4.965 4.527 -0.010 0.000 0.355 644 F C -0.215 175.511 175.800 -0.123 0.000 1.121 644 F CA -0.476 57.453 58.000 -0.119 0.000 1.112 644 F CB 0.784 39.720 39.000 -0.107 0.000 1.126 644 F HN 0.256 nan 8.300 nan 0.000 0.481 645 L N 6.354 127.192 121.223 -0.643 0.000 2.342 645 L HA 0.210 4.544 4.340 -0.011 0.000 0.285 645 L C 0.329 176.959 176.870 -0.400 0.000 1.095 645 L CA -0.170 54.419 54.840 -0.418 0.000 0.843 645 L CB 0.523 42.418 42.059 -0.273 0.000 1.201 645 L HN 0.641 nan 8.230 nan 0.000 0.445 646 E N 4.119 124.219 120.200 -0.166 0.000 2.373 646 E HA -0.049 4.295 4.350 -0.011 0.000 0.267 646 E C 0.361 177.031 176.600 0.117 0.000 1.032 646 E CA -0.374 56.074 56.400 0.079 0.000 0.889 646 E CB 0.485 30.234 29.700 0.082 0.000 0.984 646 E HN 0.565 nan 8.360 nan 0.000 0.425 647 N N 2.508 121.332 118.700 0.207 0.000 2.740 647 N HA -0.275 4.458 4.740 -0.011 0.000 0.248 647 N C -1.524 174.083 175.510 0.161 0.000 1.062 647 N CA 0.533 53.699 53.050 0.192 0.000 0.704 647 N CB -1.748 36.868 38.487 0.214 0.000 0.968 647 N HN 0.510 nan 8.380 nan 0.000 0.547 648 Y N 1.603 121.914 120.300 0.020 0.000 2.721 648 Y HA 0.125 4.668 4.550 -0.011 0.000 0.329 648 Y C 1.176 177.094 175.900 0.030 0.000 1.211 648 Y CA 0.807 58.904 58.100 -0.004 0.000 1.512 648 Y CB 0.268 38.695 38.460 -0.055 0.000 1.249 648 Y HN 0.367 nan 8.280 nan 0.000 0.549 649 R N 2.389 122.549 120.500 -0.567 0.000 2.762 649 R HA 0.428 4.762 4.340 -0.011 0.000 0.271 649 R C -0.484 175.478 176.300 -0.564 0.000 1.038 649 R CA -0.539 55.307 56.100 -0.422 0.000 0.906 649 R CB 0.259 30.490 30.300 -0.115 0.000 1.259 649 R HN 0.344 nan 8.270 nan 0.000 0.457 650 V N 0.876 120.500 119.914 -0.483 0.000 2.287 650 V HA -0.243 3.871 4.120 -0.011 0.000 0.248 650 V C 2.232 178.195 176.094 -0.220 0.000 1.053 650 V CA 2.662 64.738 62.300 -0.373 0.000 1.027 650 V CB -0.687 30.895 31.823 -0.402 0.000 0.646 650 V HN 0.818 nan 8.190 nan 0.000 0.447 651 S N -0.219 115.373 115.700 -0.181 0.000 2.382 651 S HA -0.164 4.300 4.470 -0.011 0.000 0.228 651 S C 1.831 176.371 174.600 -0.099 0.000 1.027 651 S CA 1.602 59.726 58.200 -0.127 0.000 0.991 651 S CB -0.370 62.786 63.200 -0.074 0.000 0.823 651 S HN 0.424 nan 8.310 nan 0.000 0.469 652 L N 1.763 122.931 121.223 -0.091 0.000 2.072 652 L HA 0.119 4.452 4.340 -0.011 0.000 0.205 652 L C 2.359 179.229 176.870 -0.000 0.000 1.079 652 L CA 1.605 56.434 54.840 -0.019 0.000 0.752 652 L CB -1.089 41.015 42.059 0.075 0.000 0.906 652 L HN 0.236 nan 8.230 nan 0.000 0.436 653 A N -0.650 122.142 122.820 -0.048 0.000 1.917 653 A HA -0.269 4.045 4.320 -0.011 0.000 0.219 653 A C 2.137 179.775 177.584 0.090 0.000 1.182 653 A CA 1.998 54.086 52.037 0.084 0.000 0.633 653 A CB -0.669 18.372 19.000 0.068 0.000 0.819 653 A HN 0.608 nan 8.150 nan 0.000 0.448 654 E N -0.481 119.752 120.200 0.055 0.000 2.265 654 E HA -0.168 4.175 4.350 -0.011 0.000 0.196 654 E C 1.934 178.496 176.600 -0.064 0.000 0.996 654 E CA 1.260 57.649 56.400 -0.018 0.000 0.832 654 E CB -0.061 29.539 29.700 -0.167 0.000 0.756 654 E HN 0.643 nan 8.360 nan 0.000 0.491 655 K N 0.029 120.373 120.400 -0.093 0.000 2.099 655 K HA 0.019 4.333 4.320 -0.011 0.000 0.203 655 K C 2.163 178.578 176.600 -0.309 0.000 1.047 655 K CA 0.503 56.723 56.287 -0.112 0.000 0.963 655 K CB 0.025 32.464 32.500 -0.102 0.000 0.759 655 K HN -0.040 nan 8.250 nan 0.000 0.451 656 V N 1.808 121.452 119.914 -0.450 0.000 2.488 656 V HA -0.111 4.002 4.120 -0.011 0.000 0.246 656 V C 1.891 177.735 176.094 -0.416 0.000 1.046 656 V CA 1.130 62.938 62.300 -0.820 0.000 1.053 656 V CB -0.142 31.308 31.823 -0.623 0.000 0.679 656 V HN 0.234 nan 8.190 nan 0.000 0.458 657 I N 0.815 121.198 120.570 -0.312 0.000 2.163 657 I HA -0.140 4.024 4.170 -0.011 0.000 0.243 657 I C -0.220 175.775 176.117 -0.204 0.000 1.085 657 I CA 1.691 62.740 61.300 -0.420 0.000 1.347 657 I CB -1.606 36.011 38.000 -0.638 0.000 1.044 657 I HN 0.366 nan 8.210 nan 0.000 0.408 658 P HA -0.132 nan 4.420 nan 0.000 0.221 658 P C 1.020 178.310 177.300 -0.017 0.000 1.145 658 P CA 1.330 64.401 63.100 -0.048 0.000 0.795 658 P CB 0.013 31.694 31.700 -0.031 0.000 0.775 659 A N -1.132 121.660 122.820 -0.046 0.000 2.238 659 A HA 0.443 4.756 4.320 -0.011 0.000 0.210 659 A C 1.220 178.888 177.584 0.140 0.000 1.179 659 A CA 0.189 52.249 52.037 0.039 0.000 0.827 659 A CB -0.690 18.332 19.000 0.037 0.000 0.856 659 A HN 0.205 nan 8.150 nan 0.000 0.488 660 A N 0.032 122.940 122.820 0.147 0.000 2.388 660 A HA 0.452 4.766 4.320 -0.011 0.000 0.257 660 A C 0.370 178.095 177.584 0.235 0.000 1.095 660 A CA -0.132 52.059 52.037 0.255 0.000 0.791 660 A CB 0.314 19.561 19.000 0.412 0.000 1.029 660 A HN 0.282 nan 8.150 nan 0.000 0.489 661 D N 0.280 120.819 120.400 0.230 0.000 2.338 661 D HA 0.105 4.738 4.640 -0.011 0.000 0.224 661 D C -0.226 176.283 176.300 0.349 0.000 0.967 661 D CA 0.897 55.083 54.000 0.309 0.000 0.896 661 D CB 0.254 41.147 40.800 0.155 0.000 1.028 661 D HN 0.346 nan 8.370 nan 0.000 0.493 662 L N 0.491 121.808 121.223 0.157 0.000 2.381 662 L HA 0.347 4.680 4.340 -0.011 0.000 0.274 662 L C -0.829 175.938 176.870 -0.171 0.000 0.988 662 L CA -0.556 54.309 54.840 0.042 0.000 0.824 662 L CB 2.154 44.218 42.059 0.007 0.000 1.263 662 L HN -0.287 nan 8.230 nan 0.000 0.410 663 S N 4.170 119.685 115.700 -0.308 0.000 2.422 663 S HA 0.468 4.931 4.470 -0.011 0.000 0.308 663 S C -0.632 173.717 174.600 -0.418 0.000 1.097 663 S CA -0.630 57.143 58.200 -0.712 0.000 1.099 663 S CB 0.400 63.118 63.200 -0.803 0.000 0.976 663 S HN 0.623 nan 8.310 nan 0.000 0.471 664 E N 4.117 124.076 120.200 -0.402 0.000 2.089 664 E HA 0.216 4.560 4.350 -0.011 0.000 0.284 664 E C -0.548 175.947 176.600 -0.175 0.000 1.023 664 E CA -0.409 55.876 56.400 -0.191 0.000 0.819 664 E CB 1.015 30.628 29.700 -0.144 0.000 1.076 664 E HN 0.610 nan 8.360 nan 0.000 0.396 665 Q N 2.863 122.618 119.800 -0.075 0.000 3.064 665 Q HA 0.278 4.611 4.340 -0.011 0.000 0.258 665 Q C 0.576 176.563 176.000 -0.021 0.000 0.972 665 Q CA -0.130 55.636 55.803 -0.062 0.000 0.761 665 Q CB 0.302 29.013 28.738 -0.045 0.000 1.281 665 Q HN 0.619 nan 8.270 nan 0.000 0.455 666 I N -1.798 118.743 120.570 -0.048 0.000 3.707 666 I HA 0.268 4.431 4.170 -0.011 0.000 0.330 666 I C 0.404 176.468 176.117 -0.089 0.000 1.572 666 I CA -0.687 60.597 61.300 -0.026 0.000 1.104 666 I CB 0.590 38.583 38.000 -0.013 0.000 1.240 666 I HN 0.016 nan 8.210 nan 0.000 0.475 667 S N 0.493 116.138 115.700 -0.093 0.000 2.573 667 S HA 0.179 4.643 4.470 -0.011 0.000 0.277 667 S C 0.583 175.158 174.600 -0.042 0.000 1.346 667 S CA -0.228 57.934 58.200 -0.063 0.000 1.034 667 S CB 0.249 63.456 63.200 0.013 0.000 0.879 667 S HN 0.379 nan 8.310 nan 0.000 0.528 668 T N 2.717 117.279 114.554 0.014 0.000 2.902 668 T HA 0.385 4.729 4.350 -0.011 0.000 0.301 668 T C 0.756 175.461 174.700 0.009 0.000 1.012 668 T CA 0.232 62.349 62.100 0.028 0.000 1.151 668 T CB 0.035 68.991 68.868 0.146 0.000 0.946 668 T HN 1.015 nan 8.240 nan 0.000 0.542 669 A N 2.565 125.360 122.820 -0.041 0.000 2.567 669 A HA 0.457 4.771 4.320 -0.011 0.000 0.240 669 A C 1.630 179.205 177.584 -0.015 0.000 1.053 669 A CA 0.279 52.287 52.037 -0.047 0.000 0.755 669 A CB -0.893 18.066 19.000 -0.068 0.000 0.978 669 A HN 1.737 nan 8.150 nan 0.000 0.507 670 G N 1.346 110.136 108.800 -0.017 0.000 2.176 670 G HA2 -0.231 3.722 3.960 -0.011 0.000 0.232 670 G HA3 -0.231 3.722 3.960 -0.011 0.000 0.232 670 G C 0.815 175.702 174.900 -0.021 0.000 0.986 670 G CA 1.137 46.230 45.100 -0.012 0.000 0.643 670 G HN 2.000 nan 8.290 nan 0.000 0.522 671 T N -2.658 111.880 114.554 -0.027 0.000 3.026 671 T HA 0.418 4.761 4.350 -0.011 0.000 0.245 671 T C 0.711 175.266 174.700 -0.241 0.000 1.004 671 T CA 1.025 63.048 62.100 -0.129 0.000 1.069 671 T CB 0.595 69.431 68.868 -0.054 0.000 1.005 671 T HN 0.281 nan 8.240 nan 0.000 0.472 672 E N 1.459 121.643 120.200 -0.026 0.000 2.044 672 E HA 0.674 5.017 4.350 -0.011 0.000 0.282 672 E C 1.150 177.703 176.600 -0.079 0.000 1.031 672 E CA 0.067 56.488 56.400 0.035 0.000 0.824 672 E CB 0.879 30.654 29.700 0.126 0.000 1.076 672 E HN 0.343 nan 8.360 nan 0.000 0.395 673 A N 3.436 126.138 122.820 -0.196 0.000 1.892 673 A HA -0.216 4.098 4.320 -0.011 0.000 0.218 673 A C 1.989 179.453 177.584 -0.201 0.000 1.188 673 A CA 2.283 54.079 52.037 -0.402 0.000 0.631 673 A CB -0.312 18.202 19.000 -0.809 0.000 0.822 673 A HN 0.604 nan 8.150 nan 0.000 0.447 674 S N -3.792 111.844 115.700 -0.107 0.000 3.624 674 S HA 0.453 4.917 4.470 -0.011 0.000 0.244 674 S C 0.725 175.311 174.600 -0.024 0.000 1.115 674 S CA 1.453 59.634 58.200 -0.032 0.000 0.820 674 S CB -0.102 63.103 63.200 0.008 0.000 0.964 674 S HN 2.271 nan 8.310 nan 0.000 0.508 675 G N 0.376 109.168 108.800 -0.013 0.000 2.722 675 G HA2 -0.071 3.883 3.960 -0.011 0.000 0.686 675 G HA3 -0.071 3.883 3.960 -0.011 0.000 0.686 675 G C 0.252 175.134 174.900 -0.030 0.000 1.282 675 G CA 0.448 45.538 45.100 -0.016 0.000 0.817 675 G HN 1.288 nan 8.290 nan 0.000 0.605 676 T N -1.791 112.734 114.554 -0.048 0.000 3.010 676 T HA 0.377 4.720 4.350 -0.011 0.000 0.253 676 T C 2.413 177.021 174.700 -0.154 0.000 0.939 676 T CA 1.257 63.301 62.100 -0.093 0.000 0.910 676 T CB 0.255 69.064 68.868 -0.099 0.000 1.226 676 T HN 1.905 nan 8.240 nan 0.000 0.508 677 G N 3.185 111.920 108.800 -0.108 0.000 2.442 677 G HA2 -0.300 3.653 3.960 -0.011 0.000 0.219 677 G HA3 -0.300 3.653 3.960 -0.011 0.000 0.219 677 G C 1.469 176.427 174.900 0.097 0.000 1.141 677 G CA 1.252 46.312 45.100 -0.065 0.000 0.763 677 G HN 0.841 nan 8.290 nan 0.000 0.554 678 N N -0.133 118.599 118.700 0.054 0.000 2.094 678 N HA -0.102 4.631 4.740 -0.011 0.000 0.191 678 N C 1.449 176.966 175.510 0.012 0.000 1.023 678 N CA 0.641 53.722 53.050 0.051 0.000 0.857 678 N CB -0.328 38.139 38.487 -0.032 0.000 1.013 678 N HN 0.341 nan 8.380 nan 0.000 0.426 682 M N 0.362 120.041 119.600 0.133 0.000 2.108 682 M HA -0.177 4.296 4.480 -0.011 0.000 0.261 682 M C 2.021 178.367 176.300 0.076 0.000 1.066 682 M CA 1.865 57.210 55.300 0.074 0.000 1.107 682 M CB -0.101 32.543 32.600 0.073 0.000 1.356 682 M HN 0.322 nan 8.290 nan 0.000 0.406 683 L N 0.750 122.019 121.223 0.076 0.000 2.201 683 L HA -0.105 4.228 4.340 -0.011 0.000 0.212 683 L C 1.371 178.282 176.870 0.067 0.000 1.105 683 L CA 1.673 56.564 54.840 0.086 0.000 0.775 683 L CB -0.650 41.470 42.059 0.103 0.000 0.913 683 L HN 0.358 nan 8.230 nan 0.000 0.440 684 N N -0.370 118.360 118.700 0.050 0.000 2.235 684 N HA 0.166 4.900 4.740 -0.011 0.000 0.209 684 N C 0.848 176.388 175.510 0.050 0.000 1.122 684 N CA 0.787 53.860 53.050 0.038 0.000 0.845 684 N CB 0.582 39.068 38.487 -0.001 0.000 1.004 684 N HN 0.399 nan 8.380 nan 0.000 0.499 685 G N 0.611 109.444 108.800 0.055 0.000 2.142 685 G HA2 -0.201 3.753 3.960 -0.011 0.000 0.225 685 G HA3 -0.201 3.753 3.960 -0.011 0.000 0.225 685 G C 0.002 174.959 174.900 0.096 0.000 1.015 685 G CA 0.140 45.271 45.100 0.051 0.000 0.716 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.312 122.577 122.820 0.114 0.000 2.312 686 A HA 0.877 5.191 4.320 -0.011 0.000 0.328 686 A C 0.485 178.058 177.584 -0.017 0.000 1.158 686 A CA -0.603 51.518 52.037 0.139 0.000 0.821 686 A CB 0.943 20.086 19.000 0.239 0.000 1.170 686 A HN 0.727 nan 8.150 nan 0.000 0.490 687 L N 0.771 121.949 121.223 -0.074 0.000 2.421 687 L HA 0.430 4.764 4.340 -0.011 0.000 0.263 687 L C 0.215 176.969 176.870 -0.193 0.000 1.122 687 L CA -0.320 54.373 54.840 -0.245 0.000 0.804 687 L CB 1.376 43.221 42.059 -0.357 0.000 1.150 687 L HN 0.682 nan 8.230 nan 0.000 0.457 688 T N 2.610 116.946 114.554 -0.363 0.000 2.779 688 T HA 0.449 4.793 4.350 -0.011 0.000 0.280 688 T C -0.376 174.321 174.700 -0.005 0.000 0.987 688 T CA -0.263 61.677 62.100 -0.267 0.000 0.966 688 T CB 1.476 70.102 68.868 -0.404 0.000 0.933 688 T HN 0.346 nan 8.240 nan 0.000 0.442 689 I N 3.053 123.663 120.570 0.068 0.000 2.321 689 I HA 0.701 4.865 4.170 -0.011 0.000 0.291 689 I C 0.134 176.431 176.117 0.300 0.000 0.998 689 I CA 0.123 61.557 61.300 0.224 0.000 1.227 689 I CB 0.298 38.351 38.000 0.087 0.000 1.368 689 I HN 0.776 nan 8.210 nan 0.000 0.466 690 G N 3.990 113.038 108.800 0.414 0.000 2.646 690 G HA2 0.442 4.395 3.960 -0.011 0.000 0.291 690 G HA3 0.442 4.395 3.960 -0.011 0.000 0.291 690 G C -0.869 173.959 174.900 -0.120 0.000 1.445 690 G CA -0.459 44.769 45.100 0.214 0.000 0.814 690 G HN 0.594 nan 8.290 nan 0.000 0.495 691 T N -1.050 113.294 114.554 -0.350 0.000 2.849 691 T HA 0.469 4.813 4.350 -0.011 0.000 0.284 691 T C 0.809 175.381 174.700 -0.214 0.000 1.004 691 T CA -0.631 61.190 62.100 -0.465 0.000 1.021 691 T CB 1.022 69.637 68.868 -0.422 0.000 1.013 691 T HN 0.265 nan 8.240 nan 0.000 0.527 692 M N 2.936 122.423 119.600 -0.190 0.000 3.254 692 M HA 0.303 4.777 4.480 -0.011 0.000 0.257 692 M C -0.416 175.824 176.300 -0.100 0.000 1.490 692 M CA 0.031 55.257 55.300 -0.123 0.000 1.620 692 M CB -1.774 30.764 32.600 -0.104 0.000 1.157 692 M HN 0.739 nan 8.290 nan 0.000 0.541 693 D N 0.096 120.443 120.400 -0.089 0.000 2.732 693 D HA 0.663 5.297 4.640 -0.011 0.000 0.229 693 D C 0.655 176.927 176.300 -0.047 0.000 1.152 693 D CA 0.715 54.678 54.000 -0.061 0.000 0.854 693 D CB 1.713 42.478 40.800 -0.059 0.000 1.590 693 D HN 0.611 nan 8.370 nan 0.000 0.468 694 G N 1.802 110.585 108.800 -0.028 0.000 2.627 694 G HA2 -0.247 3.707 3.960 -0.011 0.000 0.312 694 G HA3 -0.247 3.707 3.960 -0.011 0.000 0.312 694 G C 1.062 175.950 174.900 -0.020 0.000 1.299 694 G CA 1.092 46.180 45.100 -0.020 0.000 0.989 694 G HN 1.079 nan 8.290 nan 0.000 0.547 695 A N -0.404 122.400 122.820 -0.027 0.000 2.168 695 A HA 0.063 4.377 4.320 -0.011 0.000 0.215 695 A C 2.132 179.647 177.584 -0.116 0.000 1.152 695 A CA 1.906 53.921 52.037 -0.037 0.000 0.716 695 A CB -0.483 18.484 19.000 -0.055 0.000 0.794 695 A HN 0.649 nan 8.150 nan 0.000 0.465 696 N N 0.580 119.215 118.700 -0.107 0.000 2.091 696 N HA -0.167 4.567 4.740 -0.011 0.000 0.193 696 N C 1.583 176.969 175.510 -0.208 0.000 1.021 696 N CA 1.657 54.632 53.050 -0.125 0.000 0.862 696 N CB -0.687 37.765 38.487 -0.058 0.000 1.018 696 N HN 0.293 nan 8.380 nan 0.000 0.429 697 V N 1.158 120.991 119.914 -0.135 0.000 2.332 697 V HA -0.220 3.894 4.120 -0.011 0.000 0.248 697 V C 1.992 178.013 176.094 -0.121 0.000 1.055 697 V CA 1.726 63.947 62.300 -0.130 0.000 1.038 697 V CB -0.483 31.297 31.823 -0.072 0.000 0.651 697 V HN 0.362 nan 8.190 nan 0.000 0.450 698 E N -0.687 119.494 120.200 -0.033 0.000 2.158 698 E HA -0.109 4.235 4.350 -0.011 0.000 0.191 698 E C 2.229 178.931 176.600 0.171 0.000 0.982 698 E CA 0.952 57.410 56.400 0.097 0.000 0.823 698 E CB -0.169 29.677 29.700 0.243 0.000 0.766 698 E HN 0.539 nan 8.360 nan 0.000 0.468 699 M N 0.534 120.118 119.600 -0.027 0.000 2.086 699 M HA -0.166 4.308 4.480 -0.011 0.000 0.261 699 M C 2.508 178.520 176.300 -0.480 0.000 1.067 699 M CA 1.636 56.835 55.300 -0.168 0.000 1.116 699 M CB -0.239 32.164 32.600 -0.329 0.000 1.348 699 M HN 0.139 nan 8.290 nan 0.000 0.407 700 A N -0.152 122.107 122.820 -0.934 0.000 1.933 700 A HA -0.224 4.089 4.320 -0.011 0.000 0.218 700 A C 1.989 179.361 177.584 -0.353 0.000 1.175 700 A CA 1.997 53.451 52.037 -0.972 0.000 0.628 700 A CB -0.830 17.701 19.000 -0.783 0.000 0.814 700 A HN 0.593 nan 8.150 nan 0.000 0.444 701 E N -0.409 119.664 120.200 -0.210 0.000 2.077 701 E HA -0.222 4.122 4.350 -0.011 0.000 0.193 701 E C 1.823 178.396 176.600 -0.046 0.000 0.989 701 E CA 1.299 57.642 56.400 -0.095 0.000 0.800 701 E CB -0.073 29.592 29.700 -0.058 0.000 0.746 701 E HN 0.551 nan 8.360 nan 0.000 0.452 702 E N 0.102 120.302 120.200 0.000 0.000 2.047 702 E HA -0.148 4.195 4.350 -0.011 0.000 0.191 702 E C 1.876 178.507 176.600 0.052 0.000 0.987 702 E CA 1.205 57.632 56.400 0.045 0.000 0.799 702 E CB -0.235 29.547 29.700 0.137 0.000 0.752 702 E HN 0.371 nan 8.360 nan 0.000 0.449 703 A N 0.297 123.158 122.820 0.069 0.000 2.072 703 A HA 0.326 4.640 4.320 -0.011 0.000 0.216 703 A C 1.058 178.679 177.584 0.063 0.000 1.156 703 A CA 1.120 53.226 52.037 0.115 0.000 0.701 703 A CB -0.012 19.158 19.000 0.282 0.000 0.816 703 A HN 0.263 nan 8.150 nan 0.000 0.458 704 G N -0.566 108.239 108.800 0.009 0.000 3.209 704 G HA2 -0.094 3.860 3.960 -0.011 0.000 0.686 704 G HA3 -0.094 3.860 3.960 -0.011 0.000 0.686 704 G C -0.013 174.882 174.900 -0.008 0.000 1.065 704 G CA 0.016 45.111 45.100 -0.009 0.000 0.812 704 G HN 0.236 nan 8.290 nan 0.000 0.573 705 E N 0.558 120.733 120.200 -0.041 0.000 2.209 705 E HA -0.208 4.136 4.350 -0.011 0.000 0.196 705 E C 2.326 178.916 176.600 -0.017 0.000 0.993 705 E CA 1.379 57.759 56.400 -0.035 0.000 0.819 705 E CB 0.104 29.779 29.700 -0.042 0.000 0.745 705 E HN 0.785 nan 8.360 nan 0.000 0.477 706 E N 0.784 120.963 120.200 -0.035 0.000 2.338 706 E HA -0.154 4.190 4.350 -0.011 0.000 0.197 706 E C 0.830 177.347 176.600 -0.137 0.000 1.007 706 E CA 0.759 57.115 56.400 -0.072 0.000 0.849 706 E CB -0.089 29.580 29.700 -0.051 0.000 0.774 706 E HN 0.184 nan 8.360 nan 0.000 0.506 707 N N -0.293 118.360 118.700 -0.078 0.000 2.214 707 N HA 0.162 4.896 4.740 -0.011 0.000 0.214 707 N C -1.019 174.394 175.510 -0.161 0.000 1.132 707 N CA 0.038 53.008 53.050 -0.133 0.000 0.856 707 N CB 0.261 38.730 38.487 -0.030 0.000 1.020 707 N HN 0.029 nan 8.380 nan 0.000 0.509 708 F N -0.462 119.272 119.950 -0.360 0.000 2.577 708 F HA 0.425 4.945 4.527 -0.012 0.000 0.318 708 F C -0.543 175.013 175.800 -0.406 0.000 1.065 708 F CA -1.055 56.764 58.000 -0.301 0.000 0.929 708 F CB 1.291 40.214 39.000 -0.128 0.000 1.237 708 F HN -0.221 nan 8.300 nan 0.000 0.468 709 F N 4.159 124.167 119.950 0.098 0.000 2.359 709 F HA 0.442 4.963 4.527 -0.011 0.000 0.355 709 F C -0.134 175.807 175.800 0.234 0.000 1.132 709 F CA -0.433 57.637 58.000 0.115 0.000 1.246 709 F CB 0.036 39.056 39.000 0.033 0.000 1.569 709 F HN 0.057 nan 8.300 nan 0.000 0.561 710 I N 3.960 124.726 120.570 0.327 0.000 2.396 710 I HA 0.385 4.548 4.170 -0.011 0.000 0.292 710 I C -0.284 176.018 176.117 0.308 0.000 0.999 710 I CA -0.633 60.818 61.300 0.253 0.000 1.310 710 I CB 0.863 38.929 38.000 0.109 0.000 1.404 710 I HN 0.338 nan 8.210 nan 0.000 0.496 711 F N 3.590 123.600 119.950 0.100 0.000 2.685 711 F HA 0.941 5.461 4.527 -0.011 0.000 0.315 711 F C 0.001 175.836 175.800 0.058 0.000 1.126 711 F CA -0.678 57.372 58.000 0.084 0.000 0.950 711 F CB 1.007 40.073 39.000 0.109 0.000 1.360 711 F HN 0.768 nan 8.300 nan 0.000 0.469 712 G N 0.995 109.840 108.800 0.075 0.000 2.685 712 G HA2 -0.065 3.889 3.960 -0.011 0.000 0.387 712 G HA3 -0.065 3.889 3.960 -0.011 0.000 0.387 712 G C -0.919 173.946 174.900 -0.059 0.000 1.324 712 G CA -0.662 44.425 45.100 -0.021 0.000 0.878 712 G HN 0.954 nan 8.290 nan 0.000 0.527 713 M N 0.918 120.494 119.600 -0.039 0.000 2.248 713 M HA 0.194 4.668 4.480 -0.011 0.000 0.345 713 M C 1.204 177.464 176.300 -0.067 0.000 1.243 713 M CA 0.064 55.348 55.300 -0.026 0.000 1.090 713 M CB 0.270 32.863 32.600 -0.012 0.000 1.683 713 M HN 0.523 nan 8.290 nan 0.000 0.450 714 R N 1.878 122.353 120.500 -0.042 0.000 2.541 714 R HA 0.254 4.587 4.340 -0.011 0.000 0.263 714 R C 1.233 177.512 176.300 -0.036 0.000 1.112 714 R CA -0.577 55.494 56.100 -0.048 0.000 1.170 714 R CB -0.110 30.168 30.300 -0.035 0.000 1.167 714 R HN 0.573 nan 8.270 nan 0.000 0.582 715 V N 1.482 121.374 119.914 -0.036 0.000 2.317 715 V HA -0.291 3.822 4.120 -0.011 0.000 0.251 715 V C 1.881 177.964 176.094 -0.019 0.000 1.065 715 V CA 2.145 64.428 62.300 -0.028 0.000 1.049 715 V CB -0.495 31.310 31.823 -0.030 0.000 0.651 715 V HN 0.635 nan 8.190 nan 0.000 0.450 716 E N 0.081 120.272 120.200 -0.016 0.000 2.110 716 E HA -0.181 4.162 4.350 -0.011 0.000 0.193 716 E C 1.947 178.549 176.600 0.004 0.000 0.988 716 E CA 1.352 57.748 56.400 -0.007 0.000 0.804 716 E CB -0.358 29.338 29.700 -0.006 0.000 0.745 716 E HN 0.635 nan 8.360 nan 0.000 0.458 717 D N -0.148 120.255 120.400 0.006 0.000 2.144 717 D HA -0.095 4.539 4.640 -0.011 0.000 0.200 717 D C 1.988 178.302 176.300 0.023 0.000 0.978 717 D CA 0.833 54.846 54.000 0.022 0.000 0.833 717 D CB -0.109 40.706 40.800 0.026 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.881 121.797 119.914 0.003 0.000 2.343 718 V HA -0.215 3.899 4.120 -0.011 0.000 0.247 718 V C 1.976 178.071 176.094 0.001 0.000 1.051 718 V CA 1.674 63.969 62.300 -0.008 0.000 1.036 718 V CB -0.430 31.380 31.823 -0.023 0.000 0.654 718 V HN 0.024 nan 8.190 nan 0.000 0.451 719 D N -0.053 120.348 120.400 0.001 0.000 2.104 719 D HA -0.155 4.478 4.640 -0.011 0.000 0.194 719 D C 2.421 178.732 176.300 0.018 0.000 0.994 719 D CA 1.281 55.283 54.000 0.004 0.000 0.830 719 D CB -0.293 40.506 40.800 -0.002 0.000 0.959 719 D HN 0.352 nan 8.370 nan 0.000 0.452 720 R N 0.105 120.621 120.500 0.026 0.000 2.091 720 R HA -0.068 4.266 4.340 -0.011 0.000 0.238 720 R C 2.533 178.867 176.300 0.057 0.000 1.136 720 R CA 0.561 56.684 56.100 0.038 0.000 0.959 720 R CB -0.481 29.844 30.300 0.041 0.000 0.856 720 R HN 0.236 nan 8.270 nan 0.000 0.437 721 L N 0.742 122.008 121.223 0.072 0.000 2.056 721 L HA -0.198 4.135 4.340 -0.011 0.000 0.207 721 L C 1.630 178.566 176.870 0.109 0.000 1.078 721 L CA 1.328 56.238 54.840 0.116 0.000 0.749 721 L CB -0.294 41.849 42.059 0.141 0.000 0.901 721 L HN 0.193 nan 8.230 nan 0.000 0.433 722 D N -0.504 119.935 120.400 0.065 0.000 2.144 722 D HA -0.216 4.417 4.640 -0.011 0.000 0.199 722 D C 2.203 178.533 176.300 0.051 0.000 0.984 722 D CA 1.096 55.127 54.000 0.052 0.000 0.834 722 D CB -0.029 40.782 40.800 0.018 0.000 0.955 722 D HN 0.424 nan 8.370 nan 0.000 0.465 723 Q N -0.063 119.763 119.800 0.043 0.000 2.050 723 Q HA -0.164 4.170 4.340 -0.011 0.000 0.202 723 Q C 2.197 178.222 176.000 0.042 0.000 0.980 723 Q CA 1.451 57.276 55.803 0.036 0.000 0.840 723 Q CB -0.051 28.705 28.738 0.029 0.000 0.898 723 Q HN 0.352 nan 8.270 nan 0.000 0.424 724 R N -0.554 119.978 120.500 0.054 0.000 2.246 724 R HA 0.205 4.538 4.340 -0.011 0.000 0.199 724 R C 0.191 176.527 176.300 0.061 0.000 0.984 724 R CA 0.716 56.847 56.100 0.052 0.000 1.015 724 R CB 0.322 30.653 30.300 0.051 0.000 0.930 724 R HN 0.098 nan 8.270 nan 0.000 0.475 725 G N 0.822 109.672 108.800 0.085 0.000 3.225 725 G HA2 -0.245 3.709 3.960 -0.011 0.000 0.686 725 G HA3 -0.245 3.709 3.960 -0.011 0.000 0.686 725 G C -1.467 173.525 174.900 0.153 0.000 1.105 725 G CA -0.425 44.735 45.100 0.099 0.000 0.831 725 G HN 0.306 nan 8.290 nan 0.000 0.578 726 Y N 3.052 123.382 120.300 0.050 0.000 2.393 726 Y HA 0.595 5.138 4.550 -0.011 0.000 0.338 726 Y C 0.256 176.206 175.900 0.083 0.000 1.029 726 Y CA -1.128 57.021 58.100 0.082 0.000 1.239 726 Y CB 1.197 39.690 38.460 0.055 0.000 1.170 726 Y HN 0.637 nan 8.280 nan 0.000 0.515 727 N N 4.848 123.324 118.700 -0.373 0.000 2.626 727 N HA 0.354 5.087 4.740 -0.011 0.000 0.242 727 N C 0.227 175.484 175.510 -0.421 0.000 1.005 727 N CA 0.230 53.071 53.050 -0.349 0.000 0.905 727 N CB 1.153 39.559 38.487 -0.134 0.000 1.128 727 N HN 0.765 nan 8.380 nan 0.000 0.512 728 A N 2.756 125.231 122.820 -0.574 0.000 1.972 728 A HA -0.185 4.128 4.320 -0.011 0.000 0.219 728 A C 1.869 179.576 177.584 0.204 0.000 1.169 728 A CA 1.436 53.362 52.037 -0.186 0.000 0.635 728 A CB -0.442 18.373 19.000 -0.310 0.000 0.810 728 A HN 0.709 nan 8.150 nan 0.000 0.446 729 Q N 0.253 120.065 119.800 0.021 0.000 2.135 729 Q HA -0.231 4.103 4.340 -0.011 0.000 0.204 729 Q C 1.885 177.952 176.000 0.111 0.000 0.981 729 Q CA 2.229 58.066 55.803 0.058 0.000 0.856 729 Q CB -0.343 28.380 28.738 -0.025 0.000 0.902 729 Q HN 0.779 nan 8.270 nan 0.000 0.425 730 E N -1.347 118.859 120.200 0.010 0.000 2.058 730 E HA -0.247 4.096 4.350 -0.011 0.000 0.194 730 E C 1.546 178.076 176.600 -0.117 0.000 0.997 730 E CA 1.523 57.857 56.400 -0.109 0.000 0.801 730 E CB -0.225 29.308 29.700 -0.278 0.000 0.746 730 E HN 0.594 nan 8.360 nan 0.000 0.450 731 Y N -1.045 119.324 120.300 0.114 0.000 2.163 731 Y HA -0.214 4.329 4.550 -0.011 0.000 0.288 731 Y C 2.266 178.166 175.900 -0.001 0.000 1.136 731 Y CA 1.550 59.705 58.100 0.091 0.000 1.147 731 Y CB -0.753 37.816 38.460 0.180 0.000 0.987 731 Y HN 0.223 nan 8.280 nan 0.000 0.509 732 Y N 1.416 121.744 120.300 0.048 0.000 2.151 732 Y HA -0.300 4.244 4.550 -0.011 0.000 0.284 732 Y C 1.840 177.709 175.900 -0.052 0.000 1.166 732 Y CA 1.932 59.985 58.100 -0.077 0.000 1.163 732 Y CB -0.424 38.045 38.460 0.014 0.000 0.974 732 Y HN 0.100 nan 8.280 nan 0.000 0.511 733 D N -0.433 120.066 120.400 0.165 0.000 2.178 733 D HA -0.098 4.535 4.640 -0.011 0.000 0.202 733 D C 1.869 178.150 176.300 -0.033 0.000 0.974 733 D CA 1.213 55.251 54.000 0.064 0.000 0.841 733 D CB -0.097 40.753 40.800 0.083 0.000 0.953 733 D HN 0.482 nan 8.370 nan 0.000 0.478 734 R N -0.298 120.182 120.500 -0.034 0.000 2.308 734 R HA 0.281 4.615 4.340 -0.011 0.000 0.202 734 R C 0.336 176.618 176.300 -0.031 0.000 0.898 734 R CA 0.078 56.157 56.100 -0.034 0.000 1.046 734 R CB 1.179 31.457 30.300 -0.036 0.000 1.026 734 R HN 0.144 nan 8.270 nan 0.000 0.512 735 I N 2.151 122.685 120.570 -0.061 0.000 2.437 735 I HA 0.226 4.389 4.170 -0.011 0.000 0.279 735 I C -1.953 174.075 176.117 -0.148 0.000 1.028 735 I CA -2.319 58.948 61.300 -0.055 0.000 1.142 735 I CB 2.150 40.151 38.000 0.002 0.000 1.266 735 I HN -0.289 nan 8.210 nan 0.000 0.461 736 P HA -0.159 nan 4.420 nan 0.000 0.216 736 P C 1.176 178.385 177.300 -0.152 0.000 1.150 736 P CA 1.364 64.377 63.100 -0.145 0.000 0.837 736 P CB 0.312 31.959 31.700 -0.089 0.000 0.786 737 E N -1.041 119.105 120.200 -0.091 0.000 2.150 737 E HA -0.149 4.194 4.350 -0.011 0.000 0.193 737 E C 1.858 178.363 176.600 -0.158 0.000 0.985 737 E CA 0.620 56.981 56.400 -0.064 0.000 0.814 737 E CB -0.563 29.168 29.700 0.051 0.000 0.752 737 E HN 0.119 nan 8.360 nan 0.000 0.466 738 L N 1.292 122.337 121.223 -0.297 0.000 2.056 738 L HA -0.135 4.198 4.340 -0.011 0.000 0.207 738 L C 2.380 178.985 176.870 -0.441 0.000 1.078 738 L CA 1.645 56.146 54.840 -0.564 0.000 0.749 738 L CB -0.318 41.266 42.059 -0.792 0.000 0.901 738 L HN -0.090 nan 8.230 nan 0.000 0.433 739 R N -0.839 119.373 120.500 -0.479 0.000 2.091 739 R HA -0.254 4.079 4.340 -0.011 0.000 0.238 739 R C 2.412 178.539 176.300 -0.289 0.000 1.136 739 R CA 2.072 57.804 56.100 -0.615 0.000 0.959 739 R CB -0.372 29.490 30.300 -0.730 0.000 0.856 739 R HN 0.605 nan 8.270 nan 0.000 0.437 740 Q N 0.352 120.023 119.800 -0.214 0.000 2.096 740 Q HA -0.190 4.144 4.340 -0.011 0.000 0.204 740 Q C 2.078 178.024 176.000 -0.090 0.000 0.982 740 Q CA 1.983 57.706 55.803 -0.133 0.000 0.850 740 Q CB -0.093 28.571 28.738 -0.125 0.000 0.901 740 Q HN 0.478 nan 8.270 nan 0.000 0.422 741 I N 0.522 121.037 120.570 -0.092 0.000 2.202 741 I HA -0.279 3.885 4.170 -0.011 0.000 0.242 741 I C 2.100 178.239 176.117 0.037 0.000 1.091 741 I CA 0.597 61.882 61.300 -0.025 0.000 1.368 741 I CB -0.287 37.674 38.000 -0.064 0.000 1.058 741 I HN 0.289 nan 8.210 nan 0.000 0.410 742 I N 0.884 121.476 120.570 0.036 0.000 2.286 742 I HA -0.244 3.919 4.170 -0.011 0.000 0.248 742 I C 2.427 178.646 176.117 0.169 0.000 1.115 742 I CA 1.681 63.073 61.300 0.154 0.000 1.392 742 I CB -1.287 36.895 38.000 0.305 0.000 1.065 742 I HN 0.347 nan 8.210 nan 0.000 0.418 743 E N 0.314 120.590 120.200 0.127 0.000 2.106 743 E HA -0.222 4.122 4.350 -0.011 0.000 0.192 743 E C 2.186 178.850 176.600 0.107 0.000 0.984 743 E CA 0.856 57.325 56.400 0.115 0.000 0.806 743 E CB -0.103 29.636 29.700 0.064 0.000 0.750 743 E HN 0.567 nan 8.360 nan 0.000 0.458 744 Q N 0.500 120.346 119.800 0.077 0.000 2.050 744 Q HA -0.149 4.184 4.340 -0.011 0.000 0.202 744 Q C 2.359 178.540 176.000 0.301 0.000 0.980 744 Q CA 1.085 56.952 55.803 0.106 0.000 0.840 744 Q CB -0.082 28.642 28.738 -0.023 0.000 0.898 744 Q HN 0.299 nan 8.270 nan 0.000 0.424 745 L N -0.051 121.356 121.223 0.306 0.000 2.012 745 L HA -0.217 4.116 4.340 -0.011 0.000 0.210 745 L C 2.488 179.543 176.870 0.309 0.000 1.073 745 L CA 1.069 56.108 54.840 0.332 0.000 0.748 745 L CB -0.447 41.725 42.059 0.189 0.000 0.891 745 L HN 0.157 nan 8.230 nan 0.000 0.431 746 S N -0.288 115.548 115.700 0.228 0.000 2.368 746 S HA -0.156 4.308 4.470 -0.011 0.000 0.225 746 S C 2.081 176.785 174.600 0.173 0.000 1.030 746 S CA 1.597 59.910 58.200 0.189 0.000 0.999 746 S CB -0.212 63.080 63.200 0.153 0.000 0.844 746 S HN 0.616 nan 8.310 nan 0.000 0.459 747 S N 0.184 115.988 115.700 0.173 0.000 2.527 747 S HA 0.332 4.796 4.470 -0.011 0.000 0.222 747 S C 1.392 176.083 174.600 0.152 0.000 0.985 747 S CA 0.712 58.999 58.200 0.144 0.000 0.921 747 S CB 0.081 63.359 63.200 0.130 0.000 0.772 747 S HN 0.807 nan 8.310 nan 0.000 0.529 748 G N 0.519 109.441 108.800 0.204 0.000 2.134 748 G HA2 -0.262 3.692 3.960 -0.011 0.000 0.209 748 G HA3 -0.262 3.692 3.960 -0.011 0.000 0.209 748 G C 0.175 175.173 174.900 0.164 0.000 0.993 748 G CA 0.063 45.272 45.100 0.183 0.000 0.669 748 G HN 0.480 nan 8.290 nan 0.000 0.519 749 F N 0.307 120.271 119.950 0.024 0.000 2.161 749 F HA 0.157 4.678 4.527 -0.011 0.000 0.300 749 F C 1.886 177.502 175.800 -0.306 0.000 1.089 749 F CA 2.056 59.949 58.000 -0.178 0.000 1.282 749 F CB -0.043 38.775 39.000 -0.303 0.000 1.010 749 F HN 0.187 nan 8.300 nan 0.000 0.485 750 F N -0.534 119.564 119.950 0.246 0.000 2.727 750 F HA 0.196 4.716 4.527 -0.011 0.000 0.302 750 F C 0.681 176.594 175.800 0.190 0.000 1.097 750 F CA 0.258 58.361 58.000 0.172 0.000 1.330 750 F CB -0.070 39.041 39.000 0.185 0.000 1.084 750 F HN -0.048 nan 8.300 nan 0.000 0.578 751 S N -1.673 114.178 115.700 0.251 0.000 2.440 751 S HA 0.324 4.788 4.470 -0.011 0.000 0.142 751 S C -2.482 172.134 174.600 0.026 0.000 1.578 751 S CA -1.039 57.225 58.200 0.106 0.000 1.260 751 S CB 0.928 64.132 63.200 0.007 0.000 1.407 751 S HN -0.181 nan 8.310 nan 0.000 0.392 752 P HA -0.048 nan 4.420 nan 0.000 0.217 752 P C 1.282 178.570 177.300 -0.021 0.000 1.150 752 P CA 1.055 64.131 63.100 -0.040 0.000 0.832 752 P CB 0.155 31.804 31.700 -0.085 0.000 0.787 753 K N -0.854 119.535 120.400 -0.018 0.000 2.217 753 K HA -0.024 4.289 4.320 -0.011 0.000 0.202 753 K C 0.583 177.179 176.600 -0.007 0.000 1.051 753 K CA 0.921 57.201 56.287 -0.011 0.000 0.952 753 K CB 0.034 32.530 32.500 -0.007 0.000 0.736 753 K HN 0.340 nan 8.250 nan 0.000 0.453 754 Q N -0.151 119.642 119.800 -0.012 0.000 2.798 754 Q HA 0.161 4.495 4.340 -0.011 0.000 0.250 754 Q C -2.356 173.631 176.000 -0.021 0.000 1.006 754 Q CA -1.629 54.163 55.803 -0.019 0.000 0.759 754 Q CB 1.595 30.314 28.738 -0.031 0.000 1.201 754 Q HN -0.077 nan 8.270 nan 0.000 0.486 755 P HA -0.215 nan 4.420 nan 0.000 0.218 755 P C 0.605 177.934 177.300 0.049 0.000 1.148 755 P CA 1.402 64.526 63.100 0.039 0.000 0.822 755 P CB 0.213 31.938 31.700 0.042 0.000 0.784 756 D N -1.259 119.155 120.400 0.023 0.000 2.358 756 D HA -0.002 4.631 4.640 -0.011 0.000 0.224 756 D C 1.561 177.857 176.300 -0.007 0.000 1.123 756 D CA -0.257 53.765 54.000 0.037 0.000 0.833 756 D CB -0.609 40.215 40.800 0.041 0.000 0.946 756 D HN 0.020 nan 8.370 nan 0.000 0.505 757 L N -0.113 121.038 121.223 -0.120 0.000 2.081 757 L HA -0.049 4.285 4.340 -0.011 0.000 0.212 757 L C 1.218 177.891 176.870 -0.327 0.000 1.080 757 L CA 1.669 56.324 54.840 -0.309 0.000 0.754 757 L CB -0.586 41.102 42.059 -0.618 0.000 0.893 757 L HN -0.003 nan 8.230 nan 0.000 0.433 758 F N -0.676 119.330 119.950 0.092 0.000 2.668 758 F HA 0.120 4.641 4.527 -0.010 0.000 0.297 758 F C 1.854 177.706 175.800 0.086 0.000 1.124 758 F CA -0.182 57.862 58.000 0.074 0.000 1.353 758 F CB -0.304 38.730 39.000 0.055 0.000 0.992 758 F HN 0.099 nan 8.300 nan 0.000 0.524 759 K N -0.288 120.231 120.400 0.198 0.000 2.063 759 K HA -0.206 4.108 4.320 -0.011 0.000 0.208 759 K C 1.002 177.705 176.600 0.172 0.000 1.048 759 K CA 2.083 58.470 56.287 0.166 0.000 0.928 759 K CB -0.319 32.253 32.500 0.121 0.000 0.713 759 K HN 0.057 nan 8.250 nan 0.000 0.442 760 D N 1.178 121.688 120.400 0.183 0.000 2.144 760 D HA -0.086 4.547 4.640 -0.011 0.000 0.199 760 D C 2.024 178.428 176.300 0.174 0.000 0.984 760 D CA 1.122 55.236 54.000 0.190 0.000 0.834 760 D CB -0.127 40.819 40.800 0.243 0.000 0.955 760 D HN 0.305 nan 8.370 nan 0.000 0.465 761 I N 0.274 120.949 120.570 0.175 0.000 2.202 761 I HA -0.217 3.947 4.170 -0.011 0.000 0.242 761 I C 2.384 178.563 176.117 0.105 0.000 1.091 761 I CA 0.617 61.991 61.300 0.124 0.000 1.368 761 I CB -0.235 37.828 38.000 0.106 0.000 1.058 761 I HN -0.101 nan 8.210 nan 0.000 0.410 762 V N 1.265 121.257 119.914 0.130 0.000 2.343 762 V HA -0.271 3.843 4.120 -0.011 0.000 0.247 762 V C 2.200 178.330 176.094 0.061 0.000 1.051 762 V CA 1.884 64.247 62.300 0.105 0.000 1.036 762 V CB -0.862 31.040 31.823 0.131 0.000 0.654 762 V HN 0.447 nan 8.190 nan 0.000 0.451 763 N N -0.347 118.426 118.700 0.120 0.000 2.120 763 N HA -0.162 4.572 4.740 -0.011 0.000 0.188 763 N C 1.817 177.430 175.510 0.171 0.000 1.024 763 N CA 1.564 54.724 53.050 0.183 0.000 0.852 763 N CB -0.416 38.223 38.487 0.254 0.000 1.003 763 N HN 0.350 nan 8.380 nan 0.000 0.424 764 M N 0.983 120.684 119.600 0.168 0.000 2.086 764 M HA -0.099 4.375 4.480 -0.011 0.000 0.261 764 M C 1.895 178.203 176.300 0.013 0.000 1.067 764 M CA 1.267 56.667 55.300 0.166 0.000 1.116 764 M CB -0.638 32.050 32.600 0.147 0.000 1.348 764 M HN 0.078 nan 8.290 nan 0.000 0.407 765 L N -0.189 120.987 121.223 -0.079 0.000 2.083 765 L HA -0.267 4.067 4.340 -0.011 0.000 0.209 765 L C 2.566 179.148 176.870 -0.480 0.000 1.083 765 L CA 1.041 55.698 54.840 -0.304 0.000 0.752 765 L CB -0.580 41.314 42.059 -0.275 0.000 0.899 765 L HN 0.338 nan 8.230 nan 0.000 0.433 766 M N -1.585 117.784 119.600 -0.385 0.000 2.288 766 M HA -0.066 4.407 4.480 -0.011 0.000 0.266 766 M C 1.781 177.650 176.300 -0.718 0.000 1.072 766 M CA 1.608 56.564 55.300 -0.574 0.000 1.132 766 M CB -0.685 31.473 32.600 -0.736 0.000 1.386 766 M HN 0.327 nan 8.290 nan 0.000 0.432 767 H N -2.754 116.165 119.070 -0.251 0.000 3.400 767 H HA 0.248 4.797 4.556 -0.011 0.000 0.251 767 H C 0.174 175.140 175.328 -0.602 0.000 1.040 767 H CA 0.447 56.205 56.048 -0.484 0.000 1.175 767 H CB 0.410 29.749 29.762 -0.705 0.000 1.487 767 H HN 0.505 nan 8.280 nan 0.000 0.505 768 H N 0.123 119.244 119.070 0.085 0.000 2.907 768 H HA 0.142 4.691 4.556 -0.011 0.000 0.233 768 H C -0.745 174.606 175.328 0.038 0.000 1.285 768 H CA -0.313 55.777 56.048 0.071 0.000 0.981 768 H CB 0.949 30.759 29.762 0.080 0.000 2.255 768 H HN -0.018 nan 8.280 nan 0.000 0.601 769 D N 1.020 121.482 120.400 0.104 0.000 2.411 769 D HA 0.112 4.745 4.640 -0.011 0.000 0.225 769 D C 0.993 177.256 176.300 -0.062 0.000 1.156 769 D CA -0.303 53.726 54.000 0.049 0.000 0.874 769 D CB 0.618 41.428 40.800 0.017 0.000 1.034 769 D HN 0.295 nan 8.370 nan 0.000 0.502 770 R N 2.245 122.609 120.500 -0.228 0.000 2.237 770 R HA -0.056 4.277 4.340 -0.011 0.000 0.219 770 R C 0.575 176.387 176.300 -0.813 0.000 1.080 770 R CA 0.940 56.685 56.100 -0.591 0.000 0.995 770 R CB 0.086 29.832 30.300 -0.923 0.000 0.875 770 R HN 0.414 nan 8.270 nan 0.000 0.462 771 F N 0.124 120.043 119.950 -0.051 0.000 2.661 771 F HA 0.276 4.796 4.527 -0.011 0.000 0.306 771 F C 0.060 175.750 175.800 -0.183 0.000 1.094 771 F CA -0.661 57.295 58.000 -0.074 0.000 1.254 771 F CB 0.280 39.296 39.000 0.027 0.000 1.040 771 F HN -0.249 nan 8.300 nan 0.000 0.562 772 K N -0.353 119.881 120.400 -0.277 0.000 3.150 772 K HA -0.170 4.143 4.320 -0.011 0.000 0.267 772 K C 0.951 177.436 176.600 -0.192 0.000 1.028 772 K CA 0.211 56.149 56.287 -0.581 0.000 0.753 772 K CB -1.921 30.157 32.500 -0.705 0.000 1.288 772 K HN 0.204 nan 8.250 nan 0.000 0.473 773 V N 0.010 119.895 119.914 -0.049 0.000 2.287 773 V HA -0.288 3.825 4.120 -0.011 0.000 0.248 773 V C 1.967 178.205 176.094 0.240 0.000 1.053 773 V CA 2.341 64.691 62.300 0.082 0.000 1.027 773 V CB -0.499 31.377 31.823 0.088 0.000 0.646 773 V HN 0.487 nan 8.190 nan 0.000 0.447 774 F N 0.183 120.138 119.950 0.008 0.000 2.171 774 F HA -0.189 4.332 4.527 -0.011 0.000 0.300 774 F C 2.520 178.112 175.800 -0.347 0.000 1.090 774 F CA 0.667 58.614 58.000 -0.088 0.000 1.293 774 F CB -0.368 38.597 39.000 -0.057 0.000 1.013 774 F HN 0.202 nan 8.300 nan 0.000 0.486 775 A N -0.519 122.132 122.820 -0.282 0.000 2.019 775 A HA -0.191 4.122 4.320 -0.011 0.000 0.219 775 A C 1.448 179.017 177.584 -0.025 0.000 1.164 775 A CA 1.828 53.615 52.037 -0.417 0.000 0.644 775 A CB -0.452 18.446 19.000 -0.171 0.000 0.805 775 A HN 0.229 nan 8.150 nan 0.000 0.449 776 D N -2.759 117.688 120.400 0.079 0.000 2.369 776 D HA 0.084 4.717 4.640 -0.011 0.000 0.211 776 D C 1.166 177.624 176.300 0.263 0.000 1.077 776 D CA 0.004 54.125 54.000 0.202 0.000 0.842 776 D CB -0.113 40.822 40.800 0.225 0.000 0.947 776 D HN 0.598 nan 8.370 nan 0.000 0.509 777 Y N 1.902 122.278 120.300 0.127 0.000 2.114 777 Y HA -0.218 4.325 4.550 -0.010 0.000 0.284 777 Y C 2.249 178.226 175.900 0.130 0.000 1.143 777 Y CA 1.982 60.167 58.100 0.142 0.000 1.135 777 Y CB 0.146 38.657 38.460 0.085 0.000 0.980 777 Y HN -0.103 nan 8.280 nan 0.000 0.499 778 E N 0.031 120.292 120.200 0.100 0.000 2.038 778 E HA -0.254 4.089 4.350 -0.011 0.000 0.195 778 E C 2.214 178.777 176.600 -0.061 0.000 1.000 778 E CA 1.668 58.058 56.400 -0.016 0.000 0.803 778 E CB -0.195 29.597 29.700 0.153 0.000 0.750 778 E HN 0.605 nan 8.360 nan 0.000 0.448 779 E N -0.699 119.541 120.200 0.066 0.000 2.153 779 E HA -0.212 4.131 4.350 -0.011 0.000 0.194 779 E C 1.863 178.455 176.600 -0.013 0.000 0.988 779 E CA 0.874 57.335 56.400 0.102 0.000 0.811 779 E CB -0.135 29.718 29.700 0.254 0.000 0.746 779 E HN 0.348 nan 8.360 nan 0.000 0.466 780 Y N 1.064 121.177 120.300 -0.312 0.000 2.163 780 Y HA -0.210 4.333 4.550 -0.011 0.000 0.288 780 Y C 2.118 177.624 175.900 -0.657 0.000 1.136 780 Y CA 0.969 58.573 58.100 -0.827 0.000 1.147 780 Y CB -0.508 37.515 38.460 -0.729 0.000 0.987 780 Y HN -0.204 nan 8.280 nan 0.000 0.509 781 V N 0.698 120.247 119.914 -0.609 0.000 2.343 781 V HA -0.330 3.784 4.120 -0.011 0.000 0.247 781 V C 2.258 178.114 176.094 -0.397 0.000 1.051 781 V CA 2.414 64.366 62.300 -0.580 0.000 1.036 781 V CB -0.611 30.898 31.823 -0.523 0.000 0.654 781 V HN 0.318 nan 8.190 nan 0.000 0.451 782 K N -0.884 119.353 120.400 -0.272 0.000 2.057 782 K HA -0.197 4.116 4.320 -0.011 0.000 0.207 782 K C 2.286 178.790 176.600 -0.160 0.000 1.049 782 K CA 1.679 57.871 56.287 -0.158 0.000 0.931 782 K CB -0.626 31.831 32.500 -0.072 0.000 0.714 782 K HN 0.519 nan 8.250 nan 0.000 0.440 783 C N 1.392 120.570 119.300 -0.203 0.000 2.429 783 C HA -0.095 4.359 4.460 -0.011 0.000 0.277 783 C C 2.611 177.416 174.990 -0.309 0.000 1.262 783 C CA 0.793 59.718 59.018 -0.155 0.000 1.733 783 C CB -0.649 27.025 27.740 -0.111 0.000 2.010 783 C HN 0.434 nan 8.230 nan 0.000 0.483 784 Q N 0.499 119.980 119.800 -0.533 0.000 2.181 784 Q HA -0.189 4.145 4.340 -0.011 0.000 0.205 784 Q C 1.974 177.779 176.000 -0.326 0.000 0.980 784 Q CA 1.703 57.159 55.803 -0.579 0.000 0.862 784 Q CB -0.426 27.730 28.738 -0.970 0.000 0.905 784 Q HN 0.761 nan 8.270 nan 0.000 0.429 785 E N 0.160 120.223 120.200 -0.228 0.000 2.110 785 E HA -0.141 4.203 4.350 -0.011 0.000 0.193 785 E C 2.091 178.644 176.600 -0.078 0.000 0.988 785 E CA 0.598 56.927 56.400 -0.120 0.000 0.804 785 E CB -0.022 29.628 29.700 -0.084 0.000 0.745 785 E HN 0.279 nan 8.360 nan 0.000 0.458 786 R N 0.452 120.909 120.500 -0.071 0.000 2.092 786 R HA -0.082 4.252 4.340 -0.011 0.000 0.231 786 R C 2.434 178.720 176.300 -0.023 0.000 1.119 786 R CA 0.909 57.029 56.100 0.034 0.000 0.970 786 R CB -0.355 30.041 30.300 0.158 0.000 0.864 786 R HN 0.066 nan 8.270 nan 0.000 0.440 787 V N 0.781 120.481 119.914 -0.357 0.000 2.261 787 V HA -0.254 3.859 4.120 -0.011 0.000 0.246 787 V C 2.223 178.287 176.094 -0.049 0.000 1.047 787 V CA 2.050 64.056 62.300 -0.490 0.000 1.015 787 V CB -0.435 30.997 31.823 -0.651 0.000 0.642 787 V HN 0.287 nan 8.190 nan 0.000 0.446 788 S N 0.120 115.768 115.700 -0.086 0.000 2.382 788 S HA -0.184 4.280 4.470 -0.011 0.000 0.228 788 S C 2.222 176.874 174.600 0.086 0.000 1.027 788 S CA 1.390 59.578 58.200 -0.020 0.000 0.991 788 S CB -0.546 62.619 63.200 -0.058 0.000 0.823 788 S HN 0.656 nan 8.310 nan 0.000 0.469 789 A N 1.344 124.216 122.820 0.087 0.000 1.883 789 A HA -0.097 4.217 4.320 -0.011 0.000 0.217 789 A C 2.132 179.827 177.584 0.184 0.000 1.186 789 A CA 1.553 53.664 52.037 0.123 0.000 0.624 789 A CB -0.752 18.312 19.000 0.107 0.000 0.822 789 A HN 0.426 nan 8.150 nan 0.000 0.444 790 L N -2.122 119.268 121.223 0.279 0.000 2.141 790 L HA -0.072 4.262 4.340 -0.011 0.000 0.209 790 L C 2.243 179.381 176.870 0.447 0.000 1.094 790 L CA 1.865 56.944 54.840 0.400 0.000 0.763 790 L CB -0.718 41.682 42.059 0.568 0.000 0.908 790 L HN 0.501 nan 8.230 nan 0.000 0.437 791 Y N 0.217 120.637 120.300 0.201 0.000 2.352 791 Y HA -0.218 4.327 4.550 -0.009 0.000 0.292 791 Y C 2.314 178.148 175.900 -0.110 0.000 1.136 791 Y CA 1.551 59.527 58.100 -0.206 0.000 1.227 791 Y CB -0.075 38.049 38.460 -0.561 0.000 0.991 791 Y HN 0.161 nan 8.280 nan 0.000 0.545 792 K N -0.099 120.345 120.400 0.073 0.000 2.360 792 K HA -0.151 4.163 4.320 -0.011 0.000 0.201 792 K C 0.378 176.962 176.600 -0.026 0.000 1.046 792 K CA 0.856 57.165 56.287 0.037 0.000 0.945 792 K CB -0.108 32.450 32.500 0.098 0.000 0.750 792 K HN 0.057 nan 8.250 nan 0.000 0.464 793 N N 0.359 119.058 118.700 -0.000 0.000 2.898 793 N HA 0.133 4.866 4.740 -0.011 0.000 0.245 793 N C -2.428 173.083 175.510 0.000 0.000 1.185 793 N CA -2.222 50.832 53.050 0.007 0.000 0.879 793 N CB 1.157 39.678 38.487 0.057 0.000 1.157 793 N HN -0.198 nan 8.380 nan 0.000 0.503 794 P HA -0.189 nan 4.420 nan 0.000 0.216 794 P C 1.387 178.697 177.300 0.017 0.000 1.154 794 P CA 1.168 64.197 63.100 -0.118 0.000 0.865 794 P CB 0.391 31.997 31.700 -0.155 0.000 0.789 795 R N -0.078 120.431 120.500 0.015 0.000 2.081 795 R HA -0.147 4.187 4.340 -0.011 0.000 0.235 795 R C 1.946 178.283 176.300 0.061 0.000 1.131 795 R CA 1.389 57.508 56.100 0.031 0.000 0.960 795 R CB -0.300 30.010 30.300 0.017 0.000 0.856 795 R HN 0.096 nan 8.270 nan 0.000 0.436 796 E N -0.093 120.154 120.200 0.078 0.000 2.158 796 E HA -0.204 4.140 4.350 -0.011 0.000 0.191 796 E C 1.591 178.259 176.600 0.114 0.000 0.982 796 E CA 0.518 56.967 56.400 0.081 0.000 0.823 796 E CB -0.457 29.290 29.700 0.078 0.000 0.766 796 E HN 0.492 nan 8.360 nan 0.000 0.468 797 W N 2.327 123.621 121.300 -0.009 0.000 2.317 797 W HA -0.236 4.417 4.660 -0.012 0.000 0.318 797 W C 1.673 178.191 176.519 -0.001 0.000 1.227 797 W CA 2.339 59.690 57.345 0.011 0.000 1.269 797 W CB -0.501 28.931 29.460 -0.046 0.000 1.155 797 W HN 0.047 nan 8.180 nan 0.000 0.484 798 T N 1.113 115.784 114.554 0.195 0.000 2.788 798 T HA -0.180 4.164 4.350 -0.011 0.000 0.268 798 T C 1.844 176.537 174.700 -0.012 0.000 1.044 798 T CA 1.775 63.922 62.100 0.078 0.000 1.139 798 T CB -0.333 68.573 68.868 0.064 0.000 0.867 798 T HN 0.190 nan 8.240 nan 0.000 0.454 799 R N 0.421 120.923 120.500 0.004 0.000 2.096 799 R HA 0.074 4.408 4.340 -0.011 0.000 0.235 799 R C 2.511 178.788 176.300 -0.039 0.000 1.127 799 R CA 1.230 57.332 56.100 0.003 0.000 0.968 799 R CB -0.347 29.965 30.300 0.019 0.000 0.861 799 R HN 0.368 nan 8.270 nan 0.000 0.440 800 M N 0.495 120.033 119.600 -0.104 0.000 2.175 800 M HA -0.145 4.328 4.480 -0.011 0.000 0.264 800 M C 1.973 178.156 176.300 -0.194 0.000 1.063 800 M CA 1.388 56.586 55.300 -0.171 0.000 1.119 800 M CB 0.144 32.584 32.600 -0.267 0.000 1.377 800 M HN -0.017 nan 8.290 nan 0.000 0.415 801 V N 1.028 120.799 119.914 -0.237 0.000 2.282 801 V HA -0.334 3.780 4.120 -0.011 0.000 0.249 801 V C 2.210 178.266 176.094 -0.064 0.000 1.057 801 V CA 2.187 64.383 62.300 -0.173 0.000 1.032 801 V CB -0.687 31.058 31.823 -0.131 0.000 0.645 801 V HN 0.516 nan 8.190 nan 0.000 0.447 802 I N -0.520 120.037 120.570 -0.021 0.000 2.264 802 I HA -0.268 3.896 4.170 -0.011 0.000 0.248 802 I C 2.680 178.838 176.117 0.067 0.000 1.111 802 I CA 1.616 62.956 61.300 0.066 0.000 1.382 802 I CB -0.453 37.639 38.000 0.154 0.000 1.060 802 I HN 0.226 nan 8.210 nan 0.000 0.418 803 R N 0.459 120.975 120.500 0.027 0.000 2.152 803 R HA -0.107 4.227 4.340 -0.011 0.000 0.232 803 R C 2.002 178.329 176.300 0.044 0.000 1.117 803 R CA 1.144 57.263 56.100 0.031 0.000 0.981 803 R CB -0.455 29.849 30.300 0.006 0.000 0.870 803 R HN 0.542 nan 8.270 nan 0.000 0.451 804 N N 0.710 119.422 118.700 0.019 0.000 2.109 804 N HA -0.069 4.665 4.740 -0.011 0.000 0.188 804 N C 1.965 177.525 175.510 0.084 0.000 1.034 804 N CA 1.066 54.148 53.050 0.053 0.000 0.846 804 N CB -0.023 38.443 38.487 -0.036 0.000 1.010 804 N HN 0.113 nan 8.380 nan 0.000 0.425 805 I N 1.673 122.279 120.570 0.060 0.000 2.208 805 I HA -0.250 3.914 4.170 -0.011 0.000 0.245 805 I C 2.466 178.631 176.117 0.080 0.000 1.097 805 I CA 0.941 62.285 61.300 0.073 0.000 1.363 805 I CB -0.328 37.709 38.000 0.063 0.000 1.051 805 I HN 0.101 nan 8.210 nan 0.000 0.413 806 A N 0.286 123.153 122.820 0.079 0.000 2.019 806 A HA -0.168 4.146 4.320 -0.011 0.000 0.219 806 A C 2.089 179.712 177.584 0.065 0.000 1.164 806 A CA 2.075 54.151 52.037 0.064 0.000 0.644 806 A CB -0.848 18.192 19.000 0.068 0.000 0.805 806 A HN 0.538 nan 8.150 nan 0.000 0.449 807 T N -2.955 111.653 114.554 0.091 0.000 3.174 807 T HA 0.194 4.538 4.350 -0.011 0.000 0.269 807 T C 1.152 175.950 174.700 0.164 0.000 1.017 807 T CA 0.634 62.794 62.100 0.100 0.000 0.899 807 T CB -0.174 68.754 68.868 0.101 0.000 1.077 807 T HN 0.476 nan 8.240 nan 0.000 0.552 808 S N 0.138 115.948 115.700 0.183 0.000 2.562 808 S HA 0.220 4.683 4.470 -0.011 0.000 0.221 808 S C 2.239 176.974 174.600 0.225 0.000 0.975 808 S CA 0.346 58.724 58.200 0.296 0.000 0.918 808 S CB -0.715 62.625 63.200 0.233 0.000 0.772 808 S HN 0.534 nan 8.310 nan 0.000 0.531 809 G N 2.682 111.536 108.800 0.090 0.000 2.505 809 G HA2 -0.310 3.643 3.960 -0.011 0.000 0.220 809 G HA3 -0.310 3.643 3.960 -0.011 0.000 0.220 809 G C 1.328 176.183 174.900 -0.076 0.000 1.145 809 G CA 1.095 46.212 45.100 0.027 0.000 0.761 809 G HN 0.615 nan 8.290 nan 0.000 0.571 810 K N -0.164 120.074 120.400 -0.271 0.000 2.281 810 K HA -0.043 4.271 4.320 -0.011 0.000 0.203 810 K C 1.283 177.552 176.600 -0.552 0.000 1.046 810 K CA 0.817 56.794 56.287 -0.517 0.000 0.938 810 K CB -0.268 31.732 32.500 -0.832 0.000 0.737 810 K HN 0.423 nan 8.250 nan 0.000 0.458 811 F N 0.785 120.766 119.950 0.052 0.000 2.664 811 F HA 0.141 4.661 4.527 -0.011 0.000 0.301 811 F C 0.789 176.635 175.800 0.076 0.000 1.126 811 F CA -0.604 57.433 58.000 0.062 0.000 1.373 811 F CB 0.442 39.476 39.000 0.057 0.000 1.042 811 F HN -0.123 nan 8.300 nan 0.000 0.535 812 S N 0.425 116.209 115.700 0.141 0.000 2.531 812 S HA 0.045 4.509 4.470 -0.011 0.000 0.279 812 S C 1.476 176.155 174.600 0.132 0.000 1.305 812 S CA -0.141 58.136 58.200 0.128 0.000 1.058 812 S CB 0.755 64.000 63.200 0.075 0.000 0.899 812 S HN 0.370 nan 8.310 nan 0.000 0.493 813 S N 3.340 119.142 115.700 0.171 0.000 2.507 813 S HA -0.090 4.373 4.470 -0.011 0.000 0.235 813 S C 0.957 175.603 174.600 0.076 0.000 0.988 813 S CA 0.797 59.113 58.200 0.194 0.000 0.944 813 S CB -0.352 63.038 63.200 0.316 0.000 0.762 813 S HN 0.795 nan 8.310 nan 0.000 0.526 814 D N 1.845 122.278 120.400 0.054 0.000 2.144 814 D HA -0.080 4.553 4.640 -0.011 0.000 0.199 814 D C 2.094 178.394 176.300 0.001 0.000 0.984 814 D CA 0.767 54.776 54.000 0.016 0.000 0.834 814 D CB -0.331 40.477 40.800 0.014 0.000 0.955 814 D HN 0.301 nan 8.370 nan 0.000 0.465 815 R N 0.830 121.334 120.500 0.006 0.000 2.066 815 R HA -0.083 4.250 4.340 -0.011 0.000 0.232 815 R C 1.885 178.175 176.300 -0.016 0.000 1.131 815 R CA 1.379 57.470 56.100 -0.016 0.000 0.955 815 R CB -0.790 29.488 30.300 -0.037 0.000 0.851 815 R HN 0.116 nan 8.270 nan 0.000 0.432 816 T N 2.248 116.815 114.554 0.021 0.000 2.635 816 T HA -0.136 4.208 4.350 -0.011 0.000 0.267 816 T C 1.927 176.629 174.700 0.003 0.000 1.040 816 T CA 1.463 63.595 62.100 0.054 0.000 1.156 816 T CB -0.135 68.839 68.868 0.177 0.000 0.863 816 T HN 0.113 nan 8.240 nan 0.000 0.430 817 I N 1.574 122.066 120.570 -0.129 0.000 2.315 817 I HA -0.074 4.090 4.170 -0.011 0.000 0.248 817 I C 2.921 178.989 176.117 -0.081 0.000 1.117 817 I CA 0.929 62.114 61.300 -0.192 0.000 1.404 817 I CB -1.591 36.285 38.000 -0.207 0.000 1.071 817 I HN 0.198 nan 8.210 nan 0.000 0.419 818 A N 0.256 123.048 122.820 -0.047 0.000 1.940 818 A HA -0.237 4.076 4.320 -0.011 0.000 0.219 818 A C 2.247 179.788 177.584 -0.073 0.000 1.176 818 A CA 1.444 53.461 52.037 -0.034 0.000 0.631 818 A CB -0.524 18.463 19.000 -0.022 0.000 0.814 818 A HN 0.513 nan 8.150 nan 0.000 0.446 819 Q N -1.795 117.944 119.800 -0.101 0.000 2.049 819 Q HA -0.161 4.173 4.340 -0.011 0.000 0.198 819 Q C 1.942 177.773 176.000 -0.282 0.000 0.971 819 Q CA 1.629 57.333 55.803 -0.165 0.000 0.833 819 Q CB -0.340 28.294 28.738 -0.174 0.000 0.896 819 Q HN 0.811 nan 8.270 nan 0.000 0.434 820 Y N 0.734 120.748 120.300 -0.476 0.000 2.114 820 Y HA -0.317 4.226 4.550 -0.011 0.000 0.282 820 Y C 2.504 177.828 175.900 -0.960 0.000 1.165 820 Y CA 1.318 58.882 58.100 -0.893 0.000 1.148 820 Y CB -0.464 37.160 38.460 -1.393 0.000 0.972 820 Y HN 0.174 nan 8.280 nan 0.000 0.504 821 A N 0.236 122.819 122.820 -0.395 0.000 1.883 821 A HA -0.223 4.091 4.320 -0.011 0.000 0.217 821 A C 2.243 179.835 177.584 0.013 0.000 1.186 821 A CA 2.039 54.087 52.037 0.018 0.000 0.624 821 A CB -0.543 18.546 19.000 0.149 0.000 0.822 821 A HN 0.434 nan 8.150 nan 0.000 0.444 822 R N -0.764 119.705 120.500 -0.052 0.000 2.093 822 R HA -0.013 4.320 4.340 -0.011 0.000 0.224 822 R C 1.816 178.090 176.300 -0.044 0.000 1.101 822 R CA 1.422 57.505 56.100 -0.027 0.000 0.979 822 R CB -0.161 30.119 30.300 -0.033 0.000 0.877 822 R HN 0.656 nan 8.270 nan 0.000 0.441 823 E N -0.423 119.711 120.200 -0.110 0.000 2.415 823 E HA 0.093 4.436 4.350 -0.011 0.000 0.197 823 E C 1.453 178.003 176.600 -0.082 0.000 1.007 823 E CA 0.451 56.791 56.400 -0.100 0.000 0.890 823 E CB 0.538 30.151 29.700 -0.144 0.000 0.891 823 E HN 0.286 nan 8.360 nan 0.000 0.496 824 I N -1.131 119.353 120.570 -0.142 0.000 3.739 824 I HA 0.023 4.186 4.170 -0.011 0.000 0.272 824 I C 1.331 177.579 176.117 0.220 0.000 1.167 824 I CA -0.067 61.211 61.300 -0.037 0.000 1.386 824 I CB 0.241 38.083 38.000 -0.264 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.532 122.922 121.300 0.151 0.000 2.658 825 W HA 0.331 4.985 4.660 -0.011 0.000 0.263 825 W C 1.467 178.022 176.519 0.059 0.000 1.274 825 W CA 0.773 58.189 57.345 0.119 0.000 1.343 825 W CB -1.086 28.432 29.460 0.097 0.000 1.106 825 W HN 0.308 nan 8.180 nan 0.000 0.615 826 G N 1.293 110.230 108.800 0.228 0.000 2.256 826 G HA2 -0.096 3.857 3.960 -0.011 0.000 0.272 826 G HA3 -0.096 3.857 3.960 -0.011 0.000 0.272 826 G C -0.323 174.648 174.900 0.119 0.000 1.076 826 G CA 0.265 45.441 45.100 0.126 0.000 0.882 826 G HN 0.429 nan 8.290 nan 0.000 0.497 827 V N -4.362 115.641 119.914 0.149 0.000 2.962 827 V HA 0.916 5.030 4.120 -0.011 0.000 0.313 827 V C -0.378 175.774 176.094 0.097 0.000 1.099 827 V CA -1.666 60.704 62.300 0.116 0.000 0.971 827 V CB 2.374 34.276 31.823 0.131 0.000 1.028 827 V HN 0.139 nan 8.190 nan 0.000 0.430 828 E N 2.845 123.086 120.200 0.068 0.000 2.156 828 E HA 0.559 4.903 4.350 -0.011 0.000 0.279 828 E C -2.572 174.063 176.600 0.058 0.000 0.965 828 E CA -1.729 54.704 56.400 0.054 0.000 0.789 828 E CB 1.830 31.554 29.700 0.040 0.000 1.098 828 E HN 0.710 nan 8.360 nan 0.000 0.397 829 P HA 0.100 nan 4.420 nan 0.000 0.272 829 P C -0.739 176.588 177.300 0.046 0.000 1.223 829 P CA -0.235 62.897 63.100 0.053 0.000 0.784 829 P CB 0.716 32.441 31.700 0.042 0.000 0.923 830 S N 1.068 116.797 115.700 0.049 0.000 2.614 830 S HA 0.328 4.791 4.470 -0.011 0.000 0.288 830 S C 0.349 174.973 174.600 0.041 0.000 1.137 830 S CA -0.702 57.526 58.200 0.046 0.000 0.992 830 S CB 0.732 63.967 63.200 0.059 0.000 1.026 830 S HN 0.225 nan 8.310 nan 0.000 0.486 831 R N 2.486 123.006 120.500 0.033 0.000 2.334 831 R HA 0.181 4.514 4.340 -0.011 0.000 0.220 831 R C -0.046 176.267 176.300 0.021 0.000 0.917 831 R CA 0.074 56.192 56.100 0.030 0.000 1.073 831 R CB 0.125 30.442 30.300 0.029 0.000 1.056 831 R HN 0.697 nan 8.270 nan 0.000 0.506 832 Q N 0.914 120.726 119.800 0.020 0.000 2.332 832 Q HA 0.119 4.453 4.340 -0.011 0.000 0.263 832 Q C -0.246 175.748 176.000 -0.010 0.000 0.979 832 Q CA 0.060 55.867 55.803 0.008 0.000 0.885 832 Q CB 1.028 29.775 28.738 0.015 0.000 1.218 832 Q HN -0.200 nan 8.270 nan 0.000 0.405 833 R N 1.768 122.254 120.500 -0.024 0.000 2.438 833 R HA 0.212 4.546 4.340 -0.011 0.000 0.287 833 R C -0.557 175.702 176.300 -0.069 0.000 1.077 833 R CA 0.012 56.085 56.100 -0.045 0.000 1.034 833 R CB 0.388 30.662 30.300 -0.044 0.000 0.993 833 R HN 0.511 nan 8.270 nan 0.000 0.459 834 L N 6.170 127.335 121.223 -0.098 0.000 2.395 834 L HA 0.363 4.696 4.340 -0.011 0.000 0.269 834 L C -1.658 175.152 176.870 -0.099 0.000 1.133 834 L CA -2.032 52.721 54.840 -0.145 0.000 0.812 834 L CB 0.928 42.867 42.059 -0.201 0.000 1.125 834 L HN 0.515 nan 8.230 nan 0.000 0.452 835 P HA 0.045 nan 4.420 nan 0.000 0.265 835 P C -0.528 176.743 177.300 -0.049 0.000 1.193 835 P CA -0.203 62.862 63.100 -0.057 0.000 0.765 835 P CB 0.739 32.411 31.700 -0.046 0.000 0.823 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.011 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486