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 3bcu_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 KSSKFGXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.052 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.840 119.717 120.570 -0.021 0.000 2.607 13 I HA 0.556 4.718 4.170 -0.013 0.000 0.305 13 I C 1.001 177.117 176.117 -0.002 0.000 0.995 13 I CA -0.350 60.946 61.300 -0.007 0.000 1.148 13 I CB 1.844 39.845 38.000 0.000 0.000 1.323 13 I HN 0.130 nan 8.210 nan 0.000 0.461 14 S N 3.142 118.847 115.700 0.008 0.000 2.359 14 S HA -0.157 4.306 4.470 -0.013 0.000 0.224 14 S C 1.759 176.369 174.600 0.016 0.000 1.035 14 S CA 2.042 60.249 58.200 0.011 0.000 1.018 14 S CB -0.531 62.681 63.200 0.020 0.000 0.876 14 S HN 0.751 nan 8.310 nan 0.000 0.448 15 V N -0.023 119.907 119.914 0.028 0.000 2.867 15 V HA 0.094 4.207 4.120 -0.013 0.000 0.260 15 V C 1.957 178.065 176.094 0.024 0.000 1.099 15 V CA 1.432 63.752 62.300 0.034 0.000 1.122 15 V CB -1.034 30.818 31.823 0.048 0.000 0.708 15 V HN 0.380 nan 8.190 nan 0.000 0.490 16 R N 1.277 121.782 120.500 0.009 0.000 2.320 16 R HA 0.427 4.760 4.340 -0.013 0.000 0.211 16 R C 1.148 177.438 176.300 -0.016 0.000 0.931 16 R CA 0.554 56.652 56.100 -0.003 0.000 1.071 16 R CB -0.099 30.195 30.300 -0.010 0.000 1.025 16 R HN 0.770 nan 8.270 nan 0.000 0.495 17 G N 0.656 109.446 108.800 -0.017 0.000 2.728 17 G HA2 -0.221 3.731 3.960 -0.013 0.000 0.294 17 G HA3 -0.221 3.731 3.960 -0.013 0.000 0.294 17 G C -0.910 173.973 174.900 -0.028 0.000 1.342 17 G CA -1.070 44.011 45.100 -0.030 0.000 0.866 17 G HN -0.016 nan 8.290 nan 0.000 0.534 18 L N 0.413 121.617 121.223 -0.032 0.000 2.350 18 L HA 0.669 5.002 4.340 -0.013 0.000 0.275 18 L C 1.197 178.051 176.870 -0.027 0.000 1.099 18 L CA 0.299 55.123 54.840 -0.026 0.000 0.808 18 L CB 0.995 43.040 42.059 -0.024 0.000 1.149 18 L HN 1.526 nan 8.230 nan 0.000 0.442 19 A N 2.520 125.326 122.820 -0.022 0.000 3.056 19 A HA 0.590 4.902 4.320 -0.013 0.000 0.328 19 A C 0.675 178.252 177.584 -0.011 0.000 1.233 19 A CA -0.360 51.666 52.037 -0.019 0.000 0.965 19 A CB -0.315 18.672 19.000 -0.022 0.000 1.123 19 A HN 0.790 nan 8.150 nan 0.000 0.502 20 G N -0.076 108.719 108.800 -0.009 0.000 2.442 20 G HA2 0.371 4.323 3.960 -0.013 0.000 0.249 20 G HA3 0.371 4.323 3.960 -0.013 0.000 0.249 20 G C 0.977 175.880 174.900 0.005 0.000 1.263 20 G CA -0.090 45.009 45.100 -0.002 0.000 0.846 20 G HN 0.488 nan 8.290 nan 0.000 0.555 21 V N 1.799 121.717 119.914 0.007 0.000 2.332 21 V HA -0.195 3.917 4.120 -0.013 0.000 0.248 21 V C 2.628 178.732 176.094 0.017 0.000 1.055 21 V CA 2.390 64.697 62.300 0.011 0.000 1.038 21 V CB -0.623 31.206 31.823 0.010 0.000 0.651 21 V HN 0.811 nan 8.190 nan 0.000 0.450 22 E N 0.597 120.807 120.200 0.017 0.000 2.072 22 E HA -0.177 4.165 4.350 -0.013 0.000 0.191 22 E C 2.051 178.672 176.600 0.034 0.000 0.985 22 E CA 1.568 57.982 56.400 0.023 0.000 0.801 22 E CB -0.221 29.492 29.700 0.021 0.000 0.750 22 E HN 0.641 nan 8.360 nan 0.000 0.452 23 N N -0.935 117.783 118.700 0.030 0.000 2.142 23 N HA -0.114 4.618 4.740 -0.013 0.000 0.186 23 N C 1.591 177.127 175.510 0.044 0.000 1.023 23 N CA 1.139 54.213 53.050 0.040 0.000 0.852 23 N CB -0.005 38.492 38.487 0.015 0.000 0.998 23 N HN -0.009 nan 8.380 nan 0.000 0.424 24 V N 0.191 120.122 119.914 0.028 0.000 2.343 24 V HA -0.210 3.902 4.120 -0.013 0.000 0.247 24 V C 1.984 178.100 176.094 0.038 0.000 1.051 24 V CA 1.805 64.122 62.300 0.028 0.000 1.036 24 V CB -0.878 30.956 31.823 0.018 0.000 0.654 24 V HN 0.400 nan 8.190 nan 0.000 0.451 25 T N -0.501 114.075 114.554 0.037 0.000 2.746 25 T HA -0.215 4.128 4.350 -0.013 0.000 0.267 25 T C 1.923 176.658 174.700 0.058 0.000 1.039 25 T CA 1.764 63.888 62.100 0.040 0.000 1.142 25 T CB -0.186 68.701 68.868 0.031 0.000 0.866 25 T HN 0.481 nan 8.240 nan 0.000 0.444 26 E N 0.904 121.145 120.200 0.069 0.000 2.106 26 E HA -0.005 4.338 4.350 -0.013 0.000 0.192 26 E C 2.005 178.684 176.600 0.132 0.000 0.984 26 E CA 0.818 57.273 56.400 0.091 0.000 0.806 26 E CB -0.461 29.297 29.700 0.098 0.000 0.750 26 E HN 0.439 nan 8.360 nan 0.000 0.458 27 L N 0.065 121.373 121.223 0.141 0.000 2.056 27 L HA -0.143 4.190 4.340 -0.013 0.000 0.207 27 L C 2.425 179.408 176.870 0.187 0.000 1.078 27 L CA 1.340 56.289 54.840 0.182 0.000 0.749 27 L CB -0.294 41.846 42.059 0.134 0.000 0.901 27 L HN 0.055 nan 8.230 nan 0.000 0.433 28 K N 0.501 120.971 120.400 0.116 0.000 2.063 28 K HA -0.232 4.080 4.320 -0.013 0.000 0.208 28 K C 2.123 178.826 176.600 0.172 0.000 1.048 28 K CA 1.857 58.203 56.287 0.099 0.000 0.928 28 K CB -0.085 32.434 32.500 0.032 0.000 0.713 28 K HN 0.334 nan 8.250 nan 0.000 0.442 29 K N 0.206 120.689 120.400 0.138 0.000 2.167 29 K HA -0.030 4.283 4.320 -0.013 0.000 0.203 29 K C 1.560 178.248 176.600 0.146 0.000 1.052 29 K CA 1.269 57.631 56.287 0.125 0.000 0.956 29 K CB 0.005 32.552 32.500 0.078 0.000 0.735 29 K HN -0.015 nan 8.250 nan 0.000 0.451 30 N N 0.345 119.145 118.700 0.167 0.000 2.270 30 N HA -0.108 4.625 4.740 -0.013 0.000 0.181 30 N C 1.550 177.221 175.510 0.269 0.000 1.016 30 N CA 0.915 54.061 53.050 0.160 0.000 0.870 30 N CB -0.220 38.371 38.487 0.173 0.000 0.979 30 N HN 0.218 nan 8.380 nan 0.000 0.431 31 F N 2.612 122.670 119.950 0.180 0.000 2.102 31 F HA -0.121 4.399 4.527 -0.013 0.000 0.298 31 F C 2.017 177.927 175.800 0.183 0.000 1.105 31 F CA 1.319 59.439 58.000 0.200 0.000 1.239 31 F CB -0.144 38.944 39.000 0.147 0.000 0.991 31 F HN -0.036 nan 8.300 nan 0.000 0.474 32 N N 0.459 119.391 118.700 0.388 0.000 2.188 32 N HA -0.182 4.551 4.740 -0.013 0.000 0.184 32 N C 2.013 177.601 175.510 0.130 0.000 1.018 32 N CA 1.117 54.314 53.050 0.245 0.000 0.858 32 N CB -0.535 38.077 38.487 0.207 0.000 0.989 32 N HN 0.379 nan 8.380 nan 0.000 0.426 33 R N 0.268 120.843 120.500 0.125 0.000 2.073 33 R HA -0.106 4.226 4.340 -0.013 0.000 0.234 33 R C 1.812 178.182 176.300 0.117 0.000 1.134 33 R CA 1.520 57.713 56.100 0.156 0.000 0.952 33 R CB -0.221 30.105 30.300 0.044 0.000 0.850 33 R HN 0.377 nan 8.270 nan 0.000 0.433 34 H N -0.350 118.755 119.070 0.060 0.000 2.357 34 H HA -0.126 4.422 4.556 -0.013 0.000 0.301 34 H C 1.891 177.146 175.328 -0.122 0.000 1.082 34 H CA 1.491 57.506 56.048 -0.055 0.000 1.342 34 H CB 0.036 29.728 29.762 -0.118 0.000 1.389 34 H HN 0.132 nan 8.280 nan 0.000 0.511 35 L N -0.067 121.128 121.223 -0.047 0.000 2.042 35 L HA -0.205 4.127 4.340 -0.013 0.000 0.210 35 L C 2.214 179.049 176.870 -0.057 0.000 1.076 35 L CA 1.908 56.690 54.840 -0.096 0.000 0.749 35 L CB -0.411 41.599 42.059 -0.081 0.000 0.893 35 L HN 0.313 nan 8.230 nan 0.000 0.432 36 H N -1.912 117.069 119.070 -0.148 0.000 2.287 36 H HA -0.051 4.497 4.556 -0.013 0.000 0.309 36 H C 1.789 176.918 175.328 -0.332 0.000 1.059 36 H CA 2.188 58.057 56.048 -0.298 0.000 1.357 36 H CB -0.219 29.263 29.762 -0.466 0.000 1.409 36 H HN 0.286 nan 8.280 nan 0.000 0.515 37 F N -0.454 119.489 119.950 -0.012 0.000 2.270 37 F HA -0.003 4.516 4.527 -0.013 0.000 0.295 37 F C 2.555 178.280 175.800 -0.124 0.000 1.087 37 F CA 1.341 59.291 58.000 -0.083 0.000 1.365 37 F CB -0.335 38.646 39.000 -0.032 0.000 1.056 37 F HN 0.175 nan 8.300 nan 0.000 0.506 38 T N -0.093 114.490 114.554 0.048 0.000 2.901 38 T HA 0.086 4.428 4.350 -0.013 0.000 0.252 38 T C 1.959 176.565 174.700 -0.157 0.000 1.035 38 T CA 0.807 62.862 62.100 -0.075 0.000 1.142 38 T CB -0.238 68.555 68.868 -0.125 0.000 0.869 38 T HN 0.102 nan 8.240 nan 0.000 0.442 39 L N 1.240 122.369 121.223 -0.156 0.000 2.529 39 L HA 0.205 4.537 4.340 -0.013 0.000 0.223 39 L C 0.359 177.130 176.870 -0.166 0.000 1.113 39 L CA -0.067 54.669 54.840 -0.173 0.000 0.861 39 L CB -0.087 41.876 42.059 -0.161 0.000 1.012 39 L HN -0.008 nan 8.230 nan 0.000 0.461 40 V N 0.689 120.490 119.914 -0.189 0.000 5.949 40 V HA -0.273 3.839 4.120 -0.013 0.000 0.287 40 V C -0.070 175.904 176.094 -0.200 0.000 0.603 40 V CA 1.130 63.290 62.300 -0.233 0.000 0.608 40 V CB -2.197 29.517 31.823 -0.182 0.000 0.259 40 V HN 0.434 nan 8.190 nan 0.000 0.742 41 K N 1.200 121.485 120.400 -0.192 0.000 2.480 41 K HA 0.720 5.032 4.320 -0.013 0.000 0.258 41 K C -0.516 176.035 176.600 -0.081 0.000 0.990 41 K CA -0.554 55.654 56.287 -0.131 0.000 0.857 41 K CB 2.887 35.308 32.500 -0.131 0.000 1.384 41 K HN 0.514 nan 8.250 nan 0.000 0.446 42 D N -0.351 120.028 120.400 -0.036 0.000 2.497 42 D HA 0.299 4.931 4.640 -0.013 0.000 0.243 42 D C 0.602 176.930 176.300 0.046 0.000 1.039 42 D CA -0.617 53.401 54.000 0.030 0.000 1.052 42 D CB 1.014 41.837 40.800 0.039 0.000 1.344 42 D HN 0.129 nan 8.370 nan 0.000 0.553 43 R N -0.001 120.561 120.500 0.103 0.000 2.249 43 R HA -0.032 4.300 4.340 -0.013 0.000 0.230 43 R C 0.930 177.302 176.300 0.120 0.000 1.121 43 R CA 0.603 56.803 56.100 0.168 0.000 0.997 43 R CB -0.652 29.754 30.300 0.177 0.000 0.867 43 R HN 0.508 nan 8.270 nan 0.000 0.465 44 N N 0.166 118.905 118.700 0.065 0.000 2.416 44 N HA -0.075 4.658 4.740 -0.013 0.000 0.177 44 N C 1.672 177.198 175.510 0.027 0.000 1.036 44 N CA 1.168 54.246 53.050 0.046 0.000 0.901 44 N CB 0.286 38.791 38.487 0.029 0.000 0.976 44 N HN 0.236 nan 8.380 nan 0.000 0.444 45 V N -2.751 117.165 119.914 0.004 0.000 3.645 45 V HA 0.509 4.621 4.120 -0.013 0.000 0.275 45 V C 0.886 176.946 176.094 -0.057 0.000 1.356 45 V CA -0.399 61.889 62.300 -0.021 0.000 1.051 45 V CB -0.410 31.394 31.823 -0.032 0.000 0.828 45 V HN 0.043 nan 8.190 nan 0.000 0.441 46 A N 2.459 125.220 122.820 -0.099 0.000 2.477 46 A HA 0.542 4.855 4.320 -0.013 0.000 0.246 46 A C 0.762 178.189 177.584 -0.260 0.000 1.078 46 A CA 0.793 52.664 52.037 -0.277 0.000 0.770 46 A CB -0.267 18.410 19.000 -0.538 0.000 1.011 46 A HN 0.828 nan 8.150 nan 0.000 0.494 47 T N 0.400 114.807 114.554 -0.244 0.000 2.936 47 T HA 0.550 4.892 4.350 -0.013 0.000 0.282 47 T C -2.076 172.578 174.700 -0.078 0.000 1.003 47 T CA -1.744 60.301 62.100 -0.093 0.000 1.005 47 T CB 1.095 69.945 68.868 -0.030 0.000 1.097 47 T HN 0.267 nan 8.240 nan 0.000 0.532 48 P HA -0.109 nan 4.420 nan 0.000 0.217 48 P C 1.595 179.022 177.300 0.211 0.000 1.148 48 P CA 0.961 64.222 63.100 0.268 0.000 0.828 48 P CB 0.045 31.854 31.700 0.182 0.000 0.783 49 R N 0.055 120.623 120.500 0.114 0.000 2.081 49 R HA -0.139 4.193 4.340 -0.013 0.000 0.235 49 R C 1.677 178.155 176.300 0.296 0.000 1.131 49 R CA 1.779 57.982 56.100 0.171 0.000 0.960 49 R CB -0.686 29.647 30.300 0.055 0.000 0.856 49 R HN 0.101 nan 8.270 nan 0.000 0.436 50 D N -0.337 120.116 120.400 0.089 0.000 2.117 50 D HA -0.193 4.439 4.640 -0.013 0.000 0.197 50 D C 1.726 178.039 176.300 0.023 0.000 0.987 50 D CA 1.333 55.331 54.000 -0.003 0.000 0.829 50 D CB -0.287 40.365 40.800 -0.246 0.000 0.961 50 D HN 0.311 nan 8.370 nan 0.000 0.460 51 Y N 0.158 120.570 120.300 0.186 0.000 2.200 51 Y HA -0.207 4.336 4.550 -0.013 0.000 0.290 51 Y C 2.336 178.385 175.900 0.248 0.000 1.137 51 Y CA 0.365 58.622 58.100 0.261 0.000 1.163 51 Y CB -1.157 37.505 38.460 0.338 0.000 0.988 51 Y HN 0.072 nan 8.280 nan 0.000 0.518 52 Y N -0.348 120.102 120.300 0.251 0.000 2.081 52 Y HA -0.325 4.218 4.550 -0.013 0.000 0.280 52 Y C 2.029 177.909 175.900 -0.033 0.000 1.163 52 Y CA 1.471 59.612 58.100 0.068 0.000 1.135 52 Y CB -1.191 37.213 38.460 -0.094 0.000 0.970 52 Y HN 0.056 nan 8.280 nan 0.000 0.498 53 F N 0.167 119.907 119.950 -0.350 0.000 2.171 53 F HA -0.162 4.357 4.527 -0.012 0.000 0.300 53 F C 2.635 178.274 175.800 -0.269 0.000 1.090 53 F CA 1.335 59.069 58.000 -0.443 0.000 1.293 53 F CB -0.812 38.106 39.000 -0.135 0.000 1.013 53 F HN 0.218 nan 8.300 nan 0.000 0.486 54 A N -0.235 122.529 122.820 -0.093 0.000 1.902 54 A HA -0.164 4.148 4.320 -0.013 0.000 0.217 54 A C 2.050 179.500 177.584 -0.224 0.000 1.181 54 A CA 1.477 53.328 52.037 -0.310 0.000 0.623 54 A CB -0.967 17.517 19.000 -0.860 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.147 121.068 121.223 -0.013 0.000 2.027 55 L HA -0.028 4.305 4.340 -0.013 0.000 0.206 55 L C 2.679 179.526 176.870 -0.039 0.000 1.074 55 L CA 2.218 57.175 54.840 0.195 0.000 0.745 55 L CB -1.019 41.225 42.059 0.309 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.143 121.471 122.820 -0.343 0.000 1.883 56 A HA -0.305 4.008 4.320 -0.013 0.000 0.217 56 A C 2.154 179.360 177.584 -0.630 0.000 1.186 56 A CA 2.142 53.837 52.037 -0.570 0.000 0.624 56 A CB -1.181 17.140 19.000 -1.131 0.000 0.822 56 A HN 0.699 nan 8.150 nan 0.000 0.444 57 H N -0.882 117.858 119.070 -0.550 0.000 2.387 57 H HA -0.058 4.491 4.556 -0.013 0.000 0.299 57 H C 2.338 177.365 175.328 -0.503 0.000 1.090 57 H CA 1.924 57.573 56.048 -0.666 0.000 1.332 57 H CB -0.167 28.961 29.762 -1.057 0.000 1.386 57 H HN 0.475 nan 8.280 nan 0.000 0.516 58 T N -0.332 114.146 114.554 -0.127 0.000 2.737 58 T HA -0.124 4.218 4.350 -0.013 0.000 0.265 58 T C 2.258 177.119 174.700 0.267 0.000 1.038 58 T CA 1.335 63.555 62.100 0.200 0.000 1.144 58 T CB -0.361 68.697 68.868 0.317 0.000 0.866 58 T HN 0.099 nan 8.240 nan 0.000 0.434 59 V N 1.617 121.657 119.914 0.210 0.000 2.427 59 V HA -0.117 3.995 4.120 -0.013 0.000 0.248 59 V C 2.616 178.888 176.094 0.297 0.000 1.051 59 V CA 1.527 63.994 62.300 0.279 0.000 1.048 59 V CB -0.651 31.329 31.823 0.263 0.000 0.666 59 V HN 0.373 nan 8.190 nan 0.000 0.456 60 R N 0.323 120.941 120.500 0.196 0.000 2.091 60 R HA -0.231 4.101 4.340 -0.013 0.000 0.238 60 R C 1.981 178.383 176.300 0.170 0.000 1.136 60 R CA 2.209 58.421 56.100 0.187 0.000 0.959 60 R CB -0.464 29.786 30.300 -0.084 0.000 0.856 60 R HN 0.472 nan 8.270 nan 0.000 0.437 61 D N -0.102 120.382 120.400 0.139 0.000 2.158 61 D HA -0.184 4.449 4.640 -0.013 0.000 0.197 61 D C 1.800 178.118 176.300 0.030 0.000 0.995 61 D CA 1.210 55.264 54.000 0.091 0.000 0.846 61 D CB -0.464 40.379 40.800 0.071 0.000 0.941 61 D HN 0.470 nan 8.370 nan 0.000 0.456 62 H N -0.231 118.904 119.070 0.109 0.000 2.491 62 H HA 0.012 4.560 4.556 -0.012 0.000 0.290 62 H C 2.306 177.677 175.328 0.071 0.000 1.050 62 H CA 0.417 56.514 56.048 0.080 0.000 1.309 62 H CB 0.179 29.980 29.762 0.065 0.000 1.392 62 H HN 0.205 nan 8.280 nan 0.000 0.554 63 L N 0.518 121.853 121.223 0.188 0.000 2.072 63 L HA -0.127 4.205 4.340 -0.013 0.000 0.205 63 L C 2.814 179.794 176.870 0.184 0.000 1.079 63 L CA 0.731 55.645 54.840 0.123 0.000 0.752 63 L CB -0.235 41.863 42.059 0.065 0.000 0.906 63 L HN 0.127 nan 8.230 nan 0.000 0.436 64 V N -2.514 117.539 119.914 0.231 0.000 2.407 64 V HA -0.125 3.987 4.120 -0.013 0.000 0.248 64 V C 2.319 178.539 176.094 0.210 0.000 1.055 64 V CA 1.900 64.387 62.300 0.312 0.000 1.049 64 V CB -1.798 30.172 31.823 0.244 0.000 0.662 64 V HN 0.396 nan 8.190 nan 0.000 0.455 65 G N 0.503 109.378 108.800 0.125 0.000 2.446 65 G HA2 -0.255 3.697 3.960 -0.013 0.000 0.217 65 G HA3 -0.255 3.697 3.960 -0.013 0.000 0.217 65 G C 1.760 176.710 174.900 0.083 0.000 1.168 65 G CA 1.066 46.212 45.100 0.076 0.000 0.771 65 G HN 0.543 nan 8.290 nan 0.000 0.551 66 R N -1.468 119.091 120.500 0.097 0.000 2.092 66 R HA -0.063 4.269 4.340 -0.013 0.000 0.231 66 R C 2.263 178.646 176.300 0.137 0.000 1.119 66 R CA 1.110 57.254 56.100 0.074 0.000 0.970 66 R CB -0.367 29.960 30.300 0.045 0.000 0.864 66 R HN 0.475 nan 8.270 nan 0.000 0.440 67 W N 1.611 122.894 121.300 -0.029 0.000 2.355 67 W HA -0.088 4.565 4.660 -0.012 0.000 0.309 67 W C 1.715 178.210 176.519 -0.041 0.000 1.206 67 W CA 0.977 58.303 57.345 -0.033 0.000 1.284 67 W CB -0.596 28.864 29.460 -0.000 0.000 1.145 67 W HN -0.033 nan 8.180 nan 0.000 0.502 68 I N 0.917 121.546 120.570 0.100 0.000 2.226 68 I HA -0.330 3.832 4.170 -0.013 0.000 0.245 68 I C 2.651 178.754 176.117 -0.024 0.000 1.100 68 I CA 2.004 63.279 61.300 -0.042 0.000 1.374 68 I CB -0.607 37.370 38.000 -0.038 0.000 1.057 68 I HN -0.009 nan 8.210 nan 0.000 0.413 69 R N 0.219 120.720 120.500 0.002 0.000 2.153 69 R HA -0.017 4.315 4.340 -0.013 0.000 0.218 69 R C 1.909 178.177 176.300 -0.053 0.000 1.072 69 R CA 1.331 57.422 56.100 -0.015 0.000 0.990 69 R CB -1.059 29.234 30.300 -0.013 0.000 0.889 69 R HN 0.149 nan 8.270 nan 0.000 0.452 70 T N 1.702 116.203 114.554 -0.088 0.000 2.674 70 T HA -0.116 4.227 4.350 -0.013 0.000 0.265 70 T C 1.802 176.241 174.700 -0.435 0.000 1.039 70 T CA 1.405 63.344 62.100 -0.269 0.000 1.150 70 T CB -0.148 68.596 68.868 -0.207 0.000 0.864 70 T HN 0.239 nan 8.240 nan 0.000 0.427 71 Q N 0.792 120.476 119.800 -0.193 0.000 2.170 71 Q HA -0.100 4.232 4.340 -0.013 0.000 0.203 71 Q C 2.326 178.338 176.000 0.020 0.000 0.976 71 Q CA 1.300 57.065 55.803 -0.063 0.000 0.858 71 Q CB -0.495 28.239 28.738 -0.007 0.000 0.907 71 Q HN 0.517 nan 8.270 nan 0.000 0.433 72 Q N 0.081 119.882 119.800 0.003 0.000 2.084 72 Q HA -0.190 4.142 4.340 -0.013 0.000 0.202 72 Q C 1.946 178.031 176.000 0.142 0.000 0.978 72 Q CA 1.878 57.727 55.803 0.076 0.000 0.844 72 Q CB -0.340 28.425 28.738 0.044 0.000 0.898 72 Q HN 0.552 nan 8.270 nan 0.000 0.426 73 H N -1.044 118.002 119.070 -0.039 0.000 2.352 73 H HA -0.184 4.365 4.556 -0.013 0.000 0.299 73 H C 1.171 176.565 175.328 0.111 0.000 1.097 73 H CA 2.239 58.275 56.048 -0.019 0.000 1.311 73 H CB -0.285 29.402 29.762 -0.124 0.000 1.377 73 H HN 0.367 nan 8.280 nan 0.000 0.504 74 Y N -1.100 119.224 120.300 0.040 0.000 2.274 74 Y HA -0.178 4.365 4.550 -0.013 0.000 0.290 74 Y C 2.392 178.315 175.900 0.038 0.000 1.145 74 Y CA 1.021 59.117 58.100 -0.005 0.000 1.203 74 Y CB -1.302 37.216 38.460 0.098 0.000 0.984 74 Y HN 0.363 nan 8.280 nan 0.000 0.533 75 Y N 1.195 121.573 120.300 0.129 0.000 2.242 75 Y HA -0.156 4.386 4.550 -0.013 0.000 0.291 75 Y C 2.076 177.992 175.900 0.027 0.000 1.137 75 Y CA 1.576 59.719 58.100 0.071 0.000 1.181 75 Y CB 0.000 38.492 38.460 0.053 0.000 0.989 75 Y HN 0.010 nan 8.280 nan 0.000 0.527 76 E N 0.408 120.608 120.200 0.001 0.000 2.028 76 E HA -0.145 4.198 4.350 -0.013 0.000 0.190 76 E C 2.039 178.563 176.600 -0.126 0.000 0.984 76 E CA 1.186 57.535 56.400 -0.086 0.000 0.800 76 E CB -0.309 29.397 29.700 0.011 0.000 0.758 76 E HN 0.455 nan 8.360 nan 0.000 0.448 77 K N 0.719 121.026 120.400 -0.155 0.000 2.288 77 K HA -0.093 4.219 4.320 -0.013 0.000 0.201 77 K C -0.047 176.497 176.600 -0.093 0.000 1.048 77 K CA 0.535 56.734 56.287 -0.147 0.000 0.956 77 K CB -0.068 32.270 32.500 -0.270 0.000 0.746 77 K HN 0.019 nan 8.250 nan 0.000 0.461 78 D N 0.957 121.308 120.400 -0.082 0.000 2.802 78 D HA -0.105 4.527 4.640 -0.013 0.000 0.229 78 D C -2.434 173.821 176.300 -0.074 0.000 1.203 78 D CA 0.076 54.038 54.000 -0.064 0.000 0.712 78 D CB -0.053 40.706 40.800 -0.068 0.000 0.973 78 D HN 0.166 nan 8.370 nan 0.000 0.407 79 P HA 0.117 nan 4.420 nan 0.000 0.277 79 P C -0.174 177.043 177.300 -0.137 0.000 1.271 79 P CA -0.636 62.400 63.100 -0.107 0.000 0.795 79 P CB 0.611 32.240 31.700 -0.118 0.000 1.101 80 K N 1.145 121.462 120.400 -0.138 0.000 2.451 80 K HA 0.038 4.350 4.320 -0.013 0.000 0.280 80 K C -0.081 176.398 176.600 -0.201 0.000 1.020 80 K CA 0.097 56.291 56.287 -0.155 0.000 1.008 80 K CB 0.166 32.594 32.500 -0.120 0.000 0.917 80 K HN 0.262 nan 8.250 nan 0.000 0.478 81 R N 3.638 124.000 120.500 -0.229 0.000 2.368 81 R HA 0.361 4.693 4.340 -0.013 0.000 0.302 81 R C -0.563 175.435 176.300 -0.503 0.000 1.002 81 R CA -0.537 55.348 56.100 -0.358 0.000 0.929 81 R CB 0.910 30.992 30.300 -0.363 0.000 1.073 81 R HN 0.492 nan 8.270 nan 0.000 0.464 82 I N 4.181 124.406 120.570 -0.574 0.000 2.339 82 I HA 0.216 4.379 4.170 -0.013 0.000 0.290 82 I C -0.694 175.109 176.117 -0.524 0.000 0.994 82 I CA -0.813 60.112 61.300 -0.624 0.000 1.191 82 I CB 0.856 38.366 38.000 -0.818 0.000 1.343 82 I HN 0.538 nan 8.210 nan 0.000 0.458 83 Y N 5.933 126.188 120.300 -0.074 0.000 2.402 83 Y HA 0.286 4.828 4.550 -0.012 0.000 0.332 83 Y C -0.266 175.730 175.900 0.160 0.000 0.960 83 Y CA -0.723 57.453 58.100 0.127 0.000 1.228 83 Y CB 1.039 39.528 38.460 0.049 0.000 1.120 83 Y HN 0.405 nan 8.280 nan 0.000 0.491 84 Y N 4.538 125.011 120.300 0.288 0.000 2.518 84 Y HA 0.468 5.011 4.550 -0.012 0.000 0.344 84 Y C -1.197 174.962 175.900 0.433 0.000 0.982 84 Y CA -0.896 57.383 58.100 0.299 0.000 1.234 84 Y CB 0.275 38.911 38.460 0.293 0.000 1.114 84 Y HN 0.513 nan 8.280 nan 0.000 0.515 85 L N 5.069 126.345 121.223 0.088 0.000 2.265 85 L HA 0.472 4.805 4.340 -0.013 0.000 0.288 85 L C -0.241 176.656 176.870 0.045 0.000 1.058 85 L CA 0.160 55.110 54.840 0.183 0.000 0.809 85 L CB 1.303 43.433 42.059 0.119 0.000 1.179 85 L HN 0.576 nan 8.230 nan 0.000 0.429 86 S N 2.514 118.329 115.700 0.191 0.000 2.536 86 S HA 0.477 4.939 4.470 -0.013 0.000 0.271 86 S C 0.288 174.983 174.600 0.158 0.000 1.134 86 S CA -0.527 57.681 58.200 0.013 0.000 0.897 86 S CB 1.012 63.993 63.200 -0.365 0.000 1.094 86 S HN 0.472 nan 8.310 nan 0.000 0.473 87 L N 2.898 124.250 121.223 0.214 0.000 2.599 87 L HA 0.410 4.743 4.340 -0.013 0.000 0.230 87 L C 0.347 177.418 176.870 0.336 0.000 1.141 87 L CA 1.051 56.085 54.840 0.324 0.000 0.877 87 L CB -0.096 42.176 42.059 0.354 0.000 1.009 87 L HN 0.642 nan 8.230 nan 0.000 0.447 88 E N -1.250 119.016 120.200 0.109 0.000 2.275 88 E HA 0.387 4.730 4.350 -0.013 0.000 0.270 88 E C -1.380 175.098 176.600 -0.204 0.000 0.882 88 E CA -0.415 56.028 56.400 0.072 0.000 0.758 88 E CB 1.768 31.484 29.700 0.027 0.000 1.195 88 E HN -0.160 nan 8.360 nan 0.000 0.419 89 F N 2.235 122.293 119.950 0.179 0.000 2.716 89 F HA 0.187 4.706 4.527 -0.013 0.000 0.354 89 F C -0.800 175.083 175.800 0.140 0.000 1.168 89 F CA -0.775 57.319 58.000 0.156 0.000 1.045 89 F CB 0.947 40.030 39.000 0.138 0.000 1.311 89 F HN 0.488 nan 8.300 nan 0.000 0.477 90 Y N 5.253 125.628 120.300 0.125 0.000 2.714 90 Y HA 0.228 4.771 4.550 -0.012 0.000 0.333 90 Y C 0.905 176.823 175.900 0.032 0.000 1.220 90 Y CA -1.007 57.117 58.100 0.039 0.000 1.513 90 Y CB 0.349 38.818 38.460 0.014 0.000 1.435 90 Y HN 0.550 nan 8.280 nan 0.000 0.489 91 M N 1.378 121.099 119.600 0.202 0.000 2.388 91 M HA 0.130 4.603 4.480 -0.013 0.000 0.265 91 M C 1.552 177.826 176.300 -0.043 0.000 1.088 91 M CA 1.000 56.334 55.300 0.056 0.000 1.134 91 M CB -1.100 31.512 32.600 0.020 0.000 1.384 91 M HN 0.689 nan 8.290 nan 0.000 0.447 92 G N 1.441 110.224 108.800 -0.029 0.000 2.569 92 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.259 92 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.259 92 G C -0.236 174.617 174.900 -0.077 0.000 1.263 92 G CA -0.286 44.761 45.100 -0.089 0.000 0.928 92 G HN 0.447 nan 8.290 nan 0.000 0.572 93 R N -0.737 119.700 120.500 -0.106 0.000 2.582 93 R HA 0.548 4.881 4.340 -0.013 0.000 0.271 93 R C 1.088 177.279 176.300 -0.182 0.000 1.078 93 R CA 0.365 56.414 56.100 -0.086 0.000 1.127 93 R CB 0.662 30.916 30.300 -0.076 0.000 1.038 93 R HN 0.522 nan 8.270 nan 0.000 0.500 94 T N 1.183 115.589 114.554 -0.246 0.000 2.969 94 T HA -0.003 4.339 4.350 -0.013 0.000 0.250 94 T C 1.412 175.762 174.700 -0.584 0.000 1.021 94 T CA -0.152 61.597 62.100 -0.585 0.000 1.003 94 T CB 0.146 68.306 68.868 -1.180 0.000 1.040 94 T HN 0.310 nan 8.240 nan 0.000 0.492 95 L N 1.910 123.021 121.223 -0.186 0.000 1.970 95 L HA -0.023 4.309 4.340 -0.013 0.000 0.212 95 L C 2.458 179.301 176.870 -0.044 0.000 1.071 95 L CA 2.006 56.879 54.840 0.055 0.000 0.751 95 L CB -0.643 41.638 42.059 0.370 0.000 0.889 95 L HN 0.174 nan 8.230 nan 0.000 0.432 96 Q N -0.783 118.985 119.800 -0.054 0.000 2.084 96 Q HA -0.247 4.085 4.340 -0.013 0.000 0.202 96 Q C 2.230 178.159 176.000 -0.118 0.000 0.978 96 Q CA 1.782 57.543 55.803 -0.069 0.000 0.844 96 Q CB -0.284 28.409 28.738 -0.075 0.000 0.898 96 Q HN 0.688 nan 8.270 nan 0.000 0.426 97 N N -0.960 117.630 118.700 -0.182 0.000 2.104 97 N HA -0.156 4.577 4.740 -0.013 0.000 0.190 97 N C 1.353 176.754 175.510 -0.181 0.000 1.024 97 N CA 1.820 54.752 53.050 -0.198 0.000 0.853 97 N CB 0.072 38.407 38.487 -0.253 0.000 1.008 97 N HN 0.213 nan 8.380 nan 0.000 0.424 98 T N 1.263 115.675 114.554 -0.237 0.000 2.777 98 T HA -0.048 4.295 4.350 -0.013 0.000 0.266 98 T C 2.080 176.716 174.700 -0.107 0.000 1.040 98 T CA 1.034 63.010 62.100 -0.208 0.000 1.141 98 T CB -0.066 68.624 68.868 -0.298 0.000 0.868 98 T HN 0.259 nan 8.240 nan 0.000 0.444 99 M N 0.635 120.190 119.600 -0.075 0.000 2.086 99 M HA -0.100 4.373 4.480 -0.013 0.000 0.261 99 M C 2.504 178.770 176.300 -0.056 0.000 1.067 99 M CA 1.333 56.603 55.300 -0.050 0.000 1.116 99 M CB -0.740 31.846 32.600 -0.022 0.000 1.348 99 M HN 0.092 nan 8.290 nan 0.000 0.407 100 V N 1.065 120.952 119.914 -0.045 0.000 2.255 100 V HA -0.296 3.816 4.120 -0.013 0.000 0.247 100 V C 1.865 177.967 176.094 0.014 0.000 1.051 100 V CA 2.066 64.366 62.300 -0.001 0.000 1.018 100 V CB -0.926 30.901 31.823 0.006 0.000 0.641 100 V HN 0.478 nan 8.190 nan 0.000 0.445 101 N N -0.414 118.282 118.700 -0.007 0.000 2.381 101 N HA -0.053 4.679 4.740 -0.013 0.000 0.182 101 N C 1.129 176.544 175.510 -0.157 0.000 1.025 101 N CA 0.786 53.815 53.050 -0.036 0.000 0.888 101 N CB -0.153 38.319 38.487 -0.025 0.000 0.965 101 N HN 0.294 nan 8.380 nan 0.000 0.438 102 L N -0.207 120.940 121.223 -0.126 0.000 2.640 102 L HA 0.388 4.721 4.340 -0.013 0.000 0.230 102 L C 0.571 177.356 176.870 -0.142 0.000 1.123 102 L CA -0.177 54.586 54.840 -0.128 0.000 0.900 102 L CB -0.708 41.296 42.059 -0.091 0.000 1.146 102 L HN 0.105 nan 8.230 nan 0.000 0.484 103 A N -0.554 122.179 122.820 -0.144 0.000 2.846 103 A HA -0.207 4.105 4.320 -0.013 0.000 0.287 103 A C 1.002 178.526 177.584 -0.101 0.000 1.469 103 A CA 0.875 52.839 52.037 -0.122 0.000 0.757 103 A CB -1.921 16.994 19.000 -0.142 0.000 1.033 103 A HN 0.199 nan 8.150 nan 0.000 0.516 104 L N -0.835 120.330 121.223 -0.097 0.000 2.766 104 L HA 0.262 4.594 4.340 -0.013 0.000 0.242 104 L C 1.821 178.654 176.870 -0.062 0.000 1.136 104 L CA 1.509 56.287 54.840 -0.104 0.000 0.933 104 L CB -0.283 41.688 42.059 -0.148 0.000 1.241 104 L HN 0.645 nan 8.230 nan 0.000 0.522 105 E N -0.135 120.038 120.200 -0.045 0.000 2.058 105 E HA -0.227 4.116 4.350 -0.013 0.000 0.194 105 E C 1.538 178.125 176.600 -0.023 0.000 0.997 105 E CA 1.363 57.747 56.400 -0.026 0.000 0.801 105 E CB 0.306 29.993 29.700 -0.021 0.000 0.746 105 E HN 0.389 nan 8.360 nan 0.000 0.450 106 N N 0.064 118.747 118.700 -0.028 0.000 2.142 106 N HA -0.100 4.633 4.740 -0.013 0.000 0.186 106 N C 1.560 177.054 175.510 -0.027 0.000 1.023 106 N CA 1.185 54.218 53.050 -0.029 0.000 0.852 106 N CB -0.362 38.107 38.487 -0.030 0.000 0.998 106 N HN 0.215 nan 8.380 nan 0.000 0.424 107 A N 0.450 123.252 122.820 -0.029 0.000 1.877 107 A HA -0.155 4.157 4.320 -0.013 0.000 0.216 107 A C 2.653 180.230 177.584 -0.012 0.000 1.186 107 A CA 1.405 53.428 52.037 -0.023 0.000 0.620 107 A CB -1.045 17.933 19.000 -0.037 0.000 0.822 107 A HN 0.440 nan 8.150 nan 0.000 0.443 108 C N -0.869 118.424 119.300 -0.012 0.000 2.440 108 C HA -0.068 4.385 4.460 -0.013 0.000 0.278 108 C C 2.468 177.461 174.990 0.004 0.000 1.295 108 C CA 1.117 60.139 59.018 0.008 0.000 1.738 108 C CB -1.144 26.611 27.740 0.025 0.000 1.987 108 C HN 0.701 nan 8.230 nan 0.000 0.492 109 D N 0.686 121.087 120.400 0.001 0.000 2.117 109 D HA -0.145 4.488 4.640 -0.013 0.000 0.197 109 D C 2.131 178.442 176.300 0.020 0.000 0.987 109 D CA 1.490 55.493 54.000 0.005 0.000 0.829 109 D CB -0.234 40.557 40.800 -0.015 0.000 0.961 109 D HN 0.460 nan 8.370 nan 0.000 0.460 110 E N 0.124 120.328 120.200 0.007 0.000 2.047 110 E HA -0.023 4.319 4.350 -0.013 0.000 0.191 110 E C 1.891 178.524 176.600 0.056 0.000 0.987 110 E CA 1.514 57.934 56.400 0.033 0.000 0.799 110 E CB -0.575 29.128 29.700 0.006 0.000 0.752 110 E HN 0.211 nan 8.360 nan 0.000 0.449 111 A N -0.093 122.731 122.820 0.007 0.000 1.908 111 A HA -0.216 4.097 4.320 -0.013 0.000 0.218 111 A C 2.479 179.996 177.584 -0.112 0.000 1.181 111 A CA 2.847 54.864 52.037 -0.034 0.000 0.627 111 A CB -1.423 17.562 19.000 -0.025 0.000 0.818 111 A HN 0.514 nan 8.150 nan 0.000 0.445 112 T N -3.762 110.722 114.554 -0.117 0.000 2.857 112 T HA -0.196 4.147 4.350 -0.013 0.000 0.266 112 T C 1.859 176.485 174.700 -0.124 0.000 1.048 112 T CA 1.455 63.432 62.100 -0.206 0.000 1.139 112 T CB -0.614 68.171 68.868 -0.139 0.000 0.874 112 T HN 0.453 nan 8.240 nan 0.000 0.455 113 Y N 2.210 122.434 120.300 -0.127 0.000 2.165 113 Y HA -0.133 4.409 4.550 -0.012 0.000 0.286 113 Y C 2.633 178.474 175.900 -0.100 0.000 1.155 113 Y CA 1.664 59.707 58.100 -0.096 0.000 1.164 113 Y CB -0.476 37.946 38.460 -0.064 0.000 0.978 113 Y HN 0.252 nan 8.280 nan 0.000 0.513 114 Q N -1.003 118.752 119.800 -0.076 0.000 2.291 114 Q HA -0.108 4.225 4.340 -0.013 0.000 0.205 114 Q C 1.493 177.377 176.000 -0.192 0.000 0.970 114 Q CA 0.789 56.509 55.803 -0.138 0.000 0.876 114 Q CB -0.021 28.702 28.738 -0.025 0.000 0.935 114 Q HN 0.359 nan 8.270 nan 0.000 0.455 115 L N -1.009 120.078 121.223 -0.227 0.000 2.591 115 L HA 0.148 4.480 4.340 -0.013 0.000 0.228 115 L C 1.122 177.828 176.870 -0.273 0.000 1.133 115 L CA 1.200 55.886 54.840 -0.255 0.000 0.880 115 L CB -0.276 41.549 42.059 -0.390 0.000 1.033 115 L HN 0.308 nan 8.230 nan 0.000 0.450 116 G N -0.224 108.397 108.800 -0.298 0.000 2.149 116 G HA2 -0.231 3.721 3.960 -0.013 0.000 0.235 116 G HA3 -0.231 3.721 3.960 -0.013 0.000 0.235 116 G C -0.004 174.750 174.900 -0.244 0.000 1.018 116 G CA 0.185 45.116 45.100 -0.282 0.000 0.728 116 G HN 0.267 nan 8.290 nan 0.000 0.508 117 L N -0.255 120.825 121.223 -0.238 0.000 2.354 117 L HA 0.625 4.957 4.340 -0.013 0.000 0.269 117 L C -0.618 176.212 176.870 -0.066 0.000 1.005 117 L CA -1.206 53.525 54.840 -0.180 0.000 0.819 117 L CB 1.938 43.834 42.059 -0.271 0.000 1.311 117 L HN 0.076 nan 8.230 nan 0.000 0.423 118 D N 1.891 122.283 120.400 -0.014 0.000 2.317 118 D HA 0.192 4.824 4.640 -0.013 0.000 0.234 118 D C 0.590 176.916 176.300 0.043 0.000 1.112 118 D CA -0.197 53.824 54.000 0.035 0.000 0.840 118 D CB 1.581 42.407 40.800 0.043 0.000 1.078 118 D HN 0.502 nan 8.370 nan 0.000 0.486 119 M N 3.135 122.763 119.600 0.046 0.000 2.213 119 M HA -0.121 4.351 4.480 -0.013 0.000 0.263 119 M C 1.332 177.671 176.300 0.064 0.000 1.062 119 M CA 1.422 56.758 55.300 0.060 0.000 1.105 119 M CB 0.218 32.847 32.600 0.049 0.000 1.385 119 M HN 0.432 nan 8.290 nan 0.000 0.417 120 E N -0.166 120.062 120.200 0.047 0.000 2.153 120 E HA -0.259 4.084 4.350 -0.013 0.000 0.194 120 E C 1.813 178.438 176.600 0.041 0.000 0.988 120 E CA 1.363 57.786 56.400 0.037 0.000 0.811 120 E CB -0.159 29.559 29.700 0.030 0.000 0.746 120 E HN 0.646 nan 8.360 nan 0.000 0.466 121 E N 0.470 120.700 120.200 0.051 0.000 2.072 121 E HA -0.186 4.157 4.350 -0.013 0.000 0.191 121 E C 1.943 178.579 176.600 0.060 0.000 0.985 121 E CA 0.532 56.964 56.400 0.053 0.000 0.801 121 E CB 0.186 29.920 29.700 0.057 0.000 0.750 121 E HN 0.068 nan 8.360 nan 0.000 0.452 122 L N 1.496 122.776 121.223 0.095 0.000 2.093 122 L HA -0.134 4.198 4.340 -0.013 0.000 0.208 122 L C 2.080 179.001 176.870 0.083 0.000 1.085 122 L CA 1.629 56.558 54.840 0.148 0.000 0.755 122 L CB -0.754 41.449 42.059 0.238 0.000 0.904 122 L HN 0.148 nan 8.230 nan 0.000 0.435 123 E N -0.632 119.609 120.200 0.067 0.000 2.118 123 E HA -0.209 4.133 4.350 -0.013 0.000 0.195 123 E C 1.835 178.384 176.600 -0.086 0.000 0.992 123 E CA 0.928 57.337 56.400 0.015 0.000 0.804 123 E CB 0.008 29.723 29.700 0.024 0.000 0.741 123 E HN 0.413 nan 8.360 nan 0.000 0.458 124 E N 0.197 120.361 120.200 -0.060 0.000 2.409 124 E HA -0.111 4.231 4.350 -0.013 0.000 0.198 124 E C 1.861 178.386 176.600 -0.125 0.000 1.024 124 E CA 0.539 56.903 56.400 -0.060 0.000 0.861 124 E CB 0.034 29.735 29.700 0.001 0.000 0.788 124 E HN 0.405 nan 8.360 nan 0.000 0.521 125 I N 0.852 121.282 120.570 -0.233 0.000 2.617 125 I HA -0.112 4.051 4.170 -0.013 0.000 0.256 125 I C 1.393 177.193 176.117 -0.528 0.000 1.167 125 I CA 0.264 61.359 61.300 -0.341 0.000 1.469 125 I CB 0.084 37.889 38.000 -0.325 0.000 1.098 125 I HN -0.027 nan 8.210 nan 0.000 0.436 126 E N 2.661 122.418 120.200 -0.738 0.000 2.415 126 E HA -0.051 4.292 4.350 -0.013 0.000 0.263 126 E C -0.210 176.296 176.600 -0.156 0.000 0.995 126 E CA -0.192 55.860 56.400 -0.579 0.000 0.915 126 E CB 0.591 30.073 29.700 -0.364 0.000 0.951 126 E HN 0.087 nan 8.360 nan 0.000 0.449 127 E N 3.415 123.620 120.200 0.009 0.000 2.354 127 E HA 0.050 4.392 4.350 -0.013 0.000 0.269 127 E C -0.807 175.890 176.600 0.162 0.000 1.036 127 E CA -0.176 56.311 56.400 0.144 0.000 0.876 127 E CB 0.699 30.576 29.700 0.294 0.000 1.009 127 E HN 0.490 nan 8.360 nan 0.000 0.416 128 D N 0.793 121.263 120.400 0.116 0.000 2.455 128 D HA 0.133 4.765 4.640 -0.013 0.000 0.241 128 D C -0.299 176.040 176.300 0.066 0.000 1.138 128 D CA 0.236 54.278 54.000 0.071 0.000 0.877 128 D CB 0.555 41.379 40.800 0.039 0.000 1.187 128 D HN 0.368 nan 8.370 nan 0.000 0.451 129 A N 2.482 125.292 122.820 -0.017 0.000 2.671 129 A HA 0.468 4.780 4.320 -0.013 0.000 0.306 129 A C 1.026 178.453 177.584 -0.261 0.000 1.473 129 A CA -0.409 51.425 52.037 -0.337 0.000 1.155 129 A CB -0.255 18.613 19.000 -0.221 0.000 1.123 129 A HN 0.550 nan 8.150 nan 0.000 0.545 130 G N 2.105 110.701 108.800 -0.340 0.000 3.943 130 G HA2 0.418 4.370 3.960 -0.013 0.000 0.275 130 G HA3 0.418 4.370 3.960 -0.013 0.000 0.275 130 G C 0.291 174.992 174.900 -0.331 0.000 1.234 130 G CA -0.298 44.706 45.100 -0.159 0.000 1.522 130 G HN 0.687 nan 8.290 nan 0.000 0.636 131 L N 1.354 122.421 121.223 -0.261 0.000 2.939 131 L HA 0.390 4.722 4.340 -0.013 0.000 0.239 131 L C 1.028 177.825 176.870 -0.122 0.000 1.325 131 L CA -0.212 54.560 54.840 -0.113 0.000 1.170 131 L CB -0.316 41.794 42.059 0.085 0.000 1.538 131 L HN 0.324 nan 8.230 nan 0.000 0.452 132 G N -1.286 107.217 108.800 -0.496 0.000 2.623 132 G HA2 0.196 4.148 3.960 -0.013 0.000 0.290 132 G HA3 0.196 4.148 3.960 -0.013 0.000 0.290 132 G C -0.174 174.205 174.900 -0.868 0.000 1.437 132 G CA -0.443 44.313 45.100 -0.572 0.000 0.798 132 G HN -0.086 nan 8.290 nan 0.000 0.488 133 N N -0.880 117.558 118.700 -0.436 0.000 2.439 133 N HA 0.224 4.956 4.740 -0.013 0.000 0.176 133 N C 1.138 176.644 175.510 -0.006 0.000 1.029 133 N CA 1.291 54.207 53.050 -0.224 0.000 0.886 133 N CB 1.301 39.774 38.487 -0.022 0.000 1.057 133 N HN 0.836 nan 8.380 nan 0.000 0.437 134 G N -0.689 108.204 108.800 0.155 0.000 2.825 134 G HA2 0.182 4.134 3.960 -0.013 0.000 0.100 134 G HA3 0.182 4.134 3.960 -0.013 0.000 0.100 134 G C 0.692 175.748 174.900 0.260 0.000 1.195 134 G CA 0.252 45.550 45.100 0.330 0.000 1.317 134 G HN 0.163 nan 8.290 nan 0.000 0.632 135 G N 0.388 109.273 108.800 0.141 0.000 2.421 135 G HA2 -0.014 3.938 3.960 -0.013 0.000 0.216 135 G HA3 -0.014 3.938 3.960 -0.013 0.000 0.216 135 G C 1.892 176.799 174.900 0.011 0.000 1.171 135 G CA 1.475 46.615 45.100 0.066 0.000 0.775 135 G HN 0.800 nan 8.290 nan 0.000 0.543 136 L N 0.642 121.840 121.223 -0.042 0.000 2.017 136 L HA 0.085 4.417 4.340 -0.013 0.000 0.208 136 L C 2.793 179.596 176.870 -0.111 0.000 1.073 136 L CA 2.064 56.778 54.840 -0.210 0.000 0.745 136 L CB -0.554 41.320 42.059 -0.310 0.000 0.894 136 L HN 0.223 nan 8.230 nan 0.000 0.432 137 G N -0.731 108.070 108.800 0.001 0.000 2.408 137 G HA2 -0.288 3.664 3.960 -0.013 0.000 0.217 137 G HA3 -0.288 3.664 3.960 -0.013 0.000 0.217 137 G C 1.642 176.629 174.900 0.145 0.000 1.150 137 G CA 0.663 45.791 45.100 0.046 0.000 0.776 137 G HN 0.303 nan 8.290 nan 0.000 0.542 138 R N -0.014 120.604 120.500 0.197 0.000 2.115 138 R HA 0.152 4.484 4.340 -0.013 0.000 0.226 138 R C 2.285 178.600 176.300 0.024 0.000 1.100 138 R CA 0.718 56.897 56.100 0.131 0.000 0.980 138 R CB -0.830 29.503 30.300 0.056 0.000 0.875 138 R HN 0.327 nan 8.270 nan 0.000 0.445 139 L N 0.154 121.326 121.223 -0.086 0.000 2.046 139 L HA -0.000 4.332 4.340 -0.013 0.000 0.208 139 L C 2.071 178.664 176.870 -0.460 0.000 1.077 139 L CA 2.142 56.790 54.840 -0.320 0.000 0.747 139 L CB -0.801 41.037 42.059 -0.367 0.000 0.896 139 L HN 0.248 nan 8.230 nan 0.000 0.432 140 A N -0.574 122.115 122.820 -0.220 0.000 1.908 140 A HA -0.152 4.161 4.320 -0.013 0.000 0.218 140 A C 2.444 180.095 177.584 0.112 0.000 1.181 140 A CA 1.866 53.846 52.037 -0.095 0.000 0.627 140 A CB -1.145 17.757 19.000 -0.162 0.000 0.818 140 A HN 0.572 nan 8.150 nan 0.000 0.445 141 A N -1.043 121.874 122.820 0.162 0.000 1.873 141 A HA -0.160 4.153 4.320 -0.013 0.000 0.215 141 A C 2.321 179.984 177.584 0.132 0.000 1.186 141 A CA 1.645 53.798 52.037 0.193 0.000 0.616 141 A CB -1.291 17.809 19.000 0.166 0.000 0.823 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.473 117.905 119.300 0.129 0.000 2.429 142 C HA -0.081 4.372 4.460 -0.013 0.000 0.277 142 C C 2.434 177.592 174.990 0.281 0.000 1.262 142 C CA 0.699 59.831 59.018 0.191 0.000 1.733 142 C CB -1.630 26.241 27.740 0.218 0.000 2.010 142 C HN 0.607 nan 8.230 nan 0.000 0.483 143 F N 1.189 121.127 119.950 -0.020 0.000 2.126 143 F HA -0.087 4.433 4.527 -0.013 0.000 0.299 143 F C 2.241 177.980 175.800 -0.103 0.000 1.096 143 F CA 1.043 58.976 58.000 -0.111 0.000 1.255 143 F CB -1.371 37.429 39.000 -0.335 0.000 0.997 143 F HN 0.206 nan 8.300 nan 0.000 0.479 144 L N -0.457 120.839 121.223 0.122 0.000 2.046 144 L HA -0.248 4.084 4.340 -0.013 0.000 0.208 144 L C 2.168 179.047 176.870 0.014 0.000 1.077 144 L CA 1.938 56.802 54.840 0.041 0.000 0.747 144 L CB -0.799 41.283 42.059 0.040 0.000 0.896 144 L HN 0.099 nan 8.230 nan 0.000 0.432 145 D N -0.391 120.028 120.400 0.033 0.000 2.104 145 D HA -0.180 4.453 4.640 -0.013 0.000 0.194 145 D C 2.212 178.527 176.300 0.026 0.000 0.994 145 D CA 1.601 55.607 54.000 0.011 0.000 0.830 145 D CB 0.191 40.997 40.800 0.010 0.000 0.959 145 D HN 0.081 nan 8.370 nan 0.000 0.452 146 S N -0.750 114.982 115.700 0.054 0.000 2.383 146 S HA -0.110 4.352 4.470 -0.013 0.000 0.227 146 S C 2.005 176.616 174.600 0.018 0.000 1.026 146 S CA 0.862 59.085 58.200 0.039 0.000 0.981 146 S CB -0.229 63.000 63.200 0.049 0.000 0.818 146 S HN 0.336 nan 8.310 nan 0.000 0.472 147 M N 0.988 120.591 119.600 0.004 0.000 2.159 147 M HA -0.115 4.357 4.480 -0.013 0.000 0.263 147 M C 2.456 178.756 176.300 -0.000 0.000 1.063 147 M CA 1.467 56.766 55.300 -0.001 0.000 1.110 147 M CB -0.514 32.065 32.600 -0.035 0.000 1.374 147 M HN 0.405 nan 8.290 nan 0.000 0.411 148 A N -0.292 122.525 122.820 -0.006 0.000 1.898 148 A HA -0.124 4.189 4.320 -0.013 0.000 0.216 148 A C 2.155 179.753 177.584 0.022 0.000 1.181 148 A CA 2.044 54.082 52.037 0.001 0.000 0.620 148 A CB -1.102 17.881 19.000 -0.027 0.000 0.819 148 A HN 0.423 nan 8.150 nan 0.000 0.442 149 T N 0.343 114.915 114.554 0.030 0.000 2.833 149 T HA -0.039 4.303 4.350 -0.013 0.000 0.269 149 T C 1.332 176.061 174.700 0.049 0.000 1.054 149 T CA 1.238 63.370 62.100 0.054 0.000 1.135 149 T CB -0.285 68.624 68.868 0.067 0.000 0.869 149 T HN 0.345 nan 8.240 nan 0.000 0.466 150 L N 0.337 121.584 121.223 0.041 0.000 2.653 150 L HA 0.306 4.638 4.340 -0.013 0.000 0.231 150 L C 1.633 178.534 176.870 0.051 0.000 1.153 150 L CA -0.040 54.826 54.840 0.044 0.000 0.933 150 L CB -0.337 41.747 42.059 0.042 0.000 1.175 150 L HN 0.404 nan 8.230 nan 0.000 0.473 151 G N 1.095 109.929 108.800 0.057 0.000 2.198 151 G HA2 -0.285 3.668 3.960 -0.013 0.000 0.260 151 G HA3 -0.285 3.668 3.960 -0.013 0.000 0.260 151 G C 0.109 175.061 174.900 0.087 0.000 1.025 151 G CA 0.019 45.172 45.100 0.087 0.000 0.769 151 G HN 0.281 nan 8.290 nan 0.000 0.507 152 L N -0.099 121.144 121.223 0.033 0.000 2.350 152 L HA 0.607 4.940 4.340 -0.013 0.000 0.275 152 L C 1.251 178.012 176.870 -0.183 0.000 1.099 152 L CA -0.339 54.473 54.840 -0.047 0.000 0.808 152 L CB 1.532 43.572 42.059 -0.031 0.000 1.149 152 L HN 0.257 nan 8.230 nan 0.000 0.442 153 A N 3.062 125.636 122.820 -0.410 0.000 2.981 153 A HA 0.542 4.854 4.320 -0.013 0.000 0.280 153 A C 0.320 177.560 177.584 -0.573 0.000 1.743 153 A CA -0.120 51.395 52.037 -0.870 0.000 1.430 153 A CB -0.724 17.654 19.000 -1.036 0.000 1.085 153 A HN 0.698 nan 8.150 nan 0.000 0.597 154 A N 1.548 124.073 122.820 -0.491 0.000 2.337 154 A HA 0.785 5.098 4.320 -0.013 0.000 0.329 154 A C -1.039 176.280 177.584 -0.441 0.000 1.146 154 A CA -0.465 51.351 52.037 -0.368 0.000 0.800 154 A CB 0.793 19.646 19.000 -0.245 0.000 1.220 154 A HN 0.614 nan 8.150 nan 0.000 0.472 155 Y N 0.481 120.714 120.300 -0.112 0.000 2.361 155 Y HA 0.527 5.069 4.550 -0.012 0.000 0.337 155 Y C 0.878 176.867 175.900 0.147 0.000 0.965 155 Y CA -0.540 57.573 58.100 0.023 0.000 1.091 155 Y CB 2.362 40.932 38.460 0.184 0.000 1.182 155 Y HN 0.837 nan 8.280 nan 0.000 0.450 156 G N 2.325 111.204 108.800 0.131 0.000 2.353 156 G HA2 0.411 4.364 3.960 -0.013 0.000 0.284 156 G HA3 0.411 4.364 3.960 -0.013 0.000 0.284 156 G C -1.677 173.231 174.900 0.013 0.000 1.172 156 G CA -0.172 45.022 45.100 0.157 0.000 0.854 156 G HN 0.535 nan 8.290 nan 0.000 0.485 157 Y N 1.084 121.606 120.300 0.370 0.000 2.361 157 Y HA 0.616 5.158 4.550 -0.013 0.000 0.337 157 Y C 0.747 176.949 175.900 0.503 0.000 0.965 157 Y CA 0.184 58.477 58.100 0.321 0.000 1.091 157 Y CB 2.636 41.312 38.460 0.359 0.000 1.182 157 Y HN 0.873 nan 8.280 nan 0.000 0.450 158 G N 2.355 111.469 108.800 0.525 0.000 2.753 158 G HA2 0.599 4.551 3.960 -0.013 0.000 0.303 158 G HA3 0.599 4.551 3.960 -0.013 0.000 0.303 158 G C -1.726 173.408 174.900 0.390 0.000 1.242 158 G CA -0.836 44.599 45.100 0.557 0.000 0.810 158 G HN 0.420 nan 8.290 nan 0.000 0.515 159 I N 0.638 121.334 120.570 0.210 0.000 2.404 159 I HA 0.425 4.588 4.170 -0.013 0.000 0.293 159 I C 0.331 176.354 176.117 -0.157 0.000 0.992 159 I CA -0.699 60.610 61.300 0.015 0.000 1.149 159 I CB 2.174 39.999 38.000 -0.292 0.000 1.315 159 I HN 0.334 nan 8.210 nan 0.000 0.446 160 R N 6.203 126.711 120.500 0.012 0.000 2.612 160 R HA 0.211 4.543 4.340 -0.013 0.000 0.273 160 R C -1.244 175.102 176.300 0.076 0.000 1.376 160 R CA -0.408 55.729 56.100 0.062 0.000 1.171 160 R CB -0.054 30.255 30.300 0.014 0.000 1.151 160 R HN 0.403 nan 8.270 nan 0.000 0.560 161 Y N 1.584 122.043 120.300 0.265 0.000 2.442 161 Y HA -0.074 4.468 4.550 -0.013 0.000 0.330 161 Y C 1.584 177.665 175.900 0.302 0.000 1.129 161 Y CA 0.041 58.288 58.100 0.244 0.000 1.365 161 Y CB 0.826 39.408 38.460 0.204 0.000 1.233 161 Y HN 0.591 nan 8.280 nan 0.000 0.529 162 E N 2.285 122.662 120.200 0.295 0.000 2.106 162 E HA -0.076 4.266 4.350 -0.013 0.000 0.192 162 E C -0.731 175.743 176.600 -0.211 0.000 0.984 162 E CA 0.733 57.103 56.400 -0.050 0.000 0.806 162 E CB 0.167 29.728 29.700 -0.232 0.000 0.750 162 E HN 0.509 nan 8.360 nan 0.000 0.458 163 F N -0.174 119.995 119.950 0.365 0.000 2.477 163 F HA 0.441 4.960 4.527 -0.013 0.000 0.335 163 F C 0.793 176.690 175.800 0.162 0.000 1.130 163 F CA -0.843 57.333 58.000 0.293 0.000 0.948 163 F CB 1.837 40.939 39.000 0.169 0.000 1.154 163 F HN -0.098 nan 8.300 nan 0.000 0.439 164 G N 1.884 110.803 108.800 0.198 0.000 2.504 164 G HA2 0.322 4.274 3.960 -0.013 0.000 0.257 164 G HA3 0.322 4.274 3.960 -0.013 0.000 0.257 164 G C -0.475 174.391 174.900 -0.056 0.000 1.451 164 G CA -0.662 44.395 45.100 -0.071 0.000 1.059 164 G HN 0.542 nan 8.290 nan 0.000 0.550 165 I N 0.942 121.403 120.570 -0.182 0.000 2.752 165 I HA 0.190 4.352 4.170 -0.013 0.000 0.289 165 I C 0.559 176.592 176.117 -0.140 0.000 1.197 165 I CA -1.019 60.148 61.300 -0.221 0.000 1.432 165 I CB -0.282 37.489 38.000 -0.381 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.286 126.250 119.950 0.024 0.000 2.595 166 F HA 0.235 4.754 4.527 -0.012 0.000 0.359 166 F C 0.533 176.385 175.800 0.086 0.000 1.147 166 F CA -0.600 57.435 58.000 0.058 0.000 1.341 166 F CB -0.346 38.675 39.000 0.035 0.000 1.104 166 F HN 0.419 nan 8.300 nan 0.000 0.603 167 N N 2.461 121.334 118.700 0.288 0.000 2.497 167 N HA 0.034 4.766 4.740 -0.013 0.000 0.271 167 N C -0.754 174.993 175.510 0.395 0.000 1.142 167 N CA -0.215 52.982 53.050 0.244 0.000 0.965 167 N CB 1.097 39.713 38.487 0.215 0.000 1.077 167 N HN 0.765 nan 8.380 nan 0.000 0.462 168 Q N 2.630 122.633 119.800 0.338 0.000 2.303 168 Q HA 0.156 4.488 4.340 -0.013 0.000 0.257 168 Q C -0.925 175.243 176.000 0.281 0.000 0.941 168 Q CA -0.449 55.590 55.803 0.395 0.000 0.931 168 Q CB 0.645 29.620 28.738 0.395 0.000 1.215 168 Q HN 0.221 nan 8.270 nan 0.000 0.437 169 K N 4.151 124.692 120.400 0.235 0.000 2.164 169 K HA 0.461 4.773 4.320 -0.013 0.000 0.258 169 K C -0.539 176.161 176.600 0.166 0.000 0.951 169 K CA -0.872 55.529 56.287 0.191 0.000 0.844 169 K CB 1.504 34.094 32.500 0.151 0.000 1.099 169 K HN 0.629 nan 8.250 nan 0.000 0.435 170 I N 1.902 122.563 120.570 0.151 0.000 2.330 170 I HA 0.168 4.330 4.170 -0.013 0.000 0.289 170 I C -0.168 176.006 176.117 0.095 0.000 1.001 170 I CA -0.698 60.661 61.300 0.099 0.000 1.193 170 I CB 0.951 38.992 38.000 0.069 0.000 1.345 170 I HN 0.458 nan 8.210 nan 0.000 0.461 171 C N 4.895 124.260 119.300 0.109 0.000 2.346 171 C HA 0.623 5.075 4.460 -0.013 0.000 0.326 171 C C 1.124 176.214 174.990 0.167 0.000 1.224 171 C CA 0.256 59.345 59.018 0.118 0.000 1.408 171 C CB 0.018 27.823 27.740 0.108 0.000 2.089 171 C HN 1.096 nan 8.230 nan 0.000 0.456 172 G N 3.806 112.677 108.800 0.118 0.000 2.225 172 G HA2 0.063 4.015 3.960 -0.013 0.000 0.267 172 G HA3 0.063 4.015 3.960 -0.013 0.000 0.267 172 G C 1.180 176.085 174.900 0.008 0.000 1.024 172 G CA 1.159 46.335 45.100 0.128 0.000 0.784 172 G HN 2.527 nan 8.290 nan 0.000 0.507 173 G N -2.863 105.886 108.800 -0.086 0.000 2.176 173 G HA2 -0.288 3.665 3.960 -0.013 0.000 0.253 173 G HA3 -0.288 3.665 3.960 -0.013 0.000 0.253 173 G C 0.355 174.996 174.900 -0.430 0.000 0.979 173 G CA 0.604 45.525 45.100 -0.299 0.000 0.641 173 G HN 1.189 nan 8.290 nan 0.000 0.530 174 W N 0.998 122.243 121.300 -0.092 0.000 2.512 174 W HA 0.657 5.310 4.660 -0.012 0.000 0.335 174 W C 0.663 177.125 176.519 -0.094 0.000 1.088 174 W CA -0.878 56.406 57.345 -0.102 0.000 1.236 174 W CB 0.845 30.262 29.460 -0.072 0.000 1.307 174 W HN 0.255 nan 8.180 nan 0.000 0.567 175 Q N 3.326 123.216 119.800 0.150 0.000 2.313 175 Q HA 0.202 4.534 4.340 -0.013 0.000 0.266 175 Q C -0.544 175.511 176.000 0.092 0.000 0.989 175 Q CA 0.228 56.091 55.803 0.100 0.000 0.890 175 Q CB 0.530 29.318 28.738 0.082 0.000 1.200 175 Q HN 0.327 nan 8.270 nan 0.000 0.396 176 M N 3.118 122.768 119.600 0.083 0.000 2.456 176 M HA 0.390 4.862 4.480 -0.013 0.000 0.324 176 M C -1.073 175.237 176.300 0.016 0.000 1.124 176 M CA -0.696 54.621 55.300 0.028 0.000 0.959 176 M CB 1.827 34.456 32.600 0.050 0.000 1.692 176 M HN 0.607 nan 8.290 nan 0.000 0.444 177 E N 1.671 121.811 120.200 -0.099 0.000 2.191 177 E HA 0.469 4.811 4.350 -0.013 0.000 0.278 177 E C -0.733 175.864 176.600 -0.005 0.000 0.972 177 E CA -0.570 55.742 56.400 -0.147 0.000 0.804 177 E CB 1.652 31.010 29.700 -0.570 0.000 1.110 177 E HN 0.530 nan 8.360 nan 0.000 0.394 178 E N 0.820 121.095 120.200 0.126 0.000 2.343 178 E HA 0.728 5.070 4.350 -0.013 0.000 0.270 178 E C -1.088 175.603 176.600 0.152 0.000 0.895 178 E CA -1.529 54.932 56.400 0.103 0.000 0.767 178 E CB 1.418 31.183 29.700 0.108 0.000 1.248 178 E HN 0.447 nan 8.360 nan 0.000 0.440 179 A N 1.962 124.829 122.820 0.077 0.000 2.546 179 A HA 0.058 4.370 4.320 -0.013 0.000 0.243 179 A C -0.110 177.638 177.584 0.273 0.000 1.063 179 A CA 0.270 52.359 52.037 0.086 0.000 0.757 179 A CB -0.080 18.831 19.000 -0.149 0.000 0.991 179 A HN 0.695 nan 8.150 nan 0.000 0.503 180 D N 1.810 122.441 120.400 0.385 0.000 2.494 180 D HA 0.191 4.823 4.640 -0.013 0.000 0.217 180 D C -0.405 176.233 176.300 0.564 0.000 1.153 180 D CA -0.187 54.052 54.000 0.398 0.000 0.954 180 D CB 0.341 41.310 40.800 0.281 0.000 1.034 180 D HN 0.379 nan 8.370 nan 0.000 0.518 181 D N 3.814 124.503 120.400 0.482 0.000 2.801 181 D HA -0.023 4.609 4.640 -0.013 0.000 0.232 181 D C 1.111 177.544 176.300 0.222 0.000 1.128 181 D CA -0.534 53.668 54.000 0.338 0.000 1.003 181 D CB -0.193 40.797 40.800 0.317 0.000 1.110 181 D HN 0.562 nan 8.370 nan 0.000 0.477 182 W N 1.561 122.899 121.300 0.063 0.000 2.525 182 W HA -0.033 4.619 4.660 -0.013 0.000 0.259 182 W C 0.121 176.694 176.519 0.091 0.000 1.253 182 W CA 0.101 57.503 57.345 0.096 0.000 1.262 182 W CB -0.724 28.795 29.460 0.098 0.000 1.122 182 W HN 0.174 nan 8.180 nan 0.000 0.607 183 L N 0.860 121.727 121.223 -0.593 0.000 2.607 183 L HA 0.182 4.515 4.340 -0.013 0.000 0.228 183 L C 2.760 179.463 176.870 -0.277 0.000 1.123 183 L CA -0.014 54.449 54.840 -0.628 0.000 0.890 183 L CB -0.623 40.935 42.059 -0.834 0.000 1.103 183 L HN -0.118 nan 8.230 nan 0.000 0.468 184 R N 0.653 121.046 120.500 -0.179 0.000 2.112 184 R HA -0.245 4.088 4.340 -0.013 0.000 0.242 184 R C 1.526 177.652 176.300 -0.290 0.000 1.137 184 R CA 2.210 58.166 56.100 -0.241 0.000 0.944 184 R CB -0.272 29.855 30.300 -0.289 0.000 0.857 184 R HN 0.288 nan 8.270 nan 0.000 0.435 185 Y N -0.325 119.988 120.300 0.022 0.000 2.490 185 Y HA 0.297 4.840 4.550 -0.013 0.000 0.281 185 Y C 0.920 176.804 175.900 -0.025 0.000 1.174 185 Y CA 0.541 58.661 58.100 0.034 0.000 1.295 185 Y CB 0.650 39.242 38.460 0.220 0.000 1.062 185 Y HN 0.480 nan 8.280 nan 0.000 0.522 186 G N 1.201 110.042 108.800 0.068 0.000 2.699 186 G HA2 -0.221 3.731 3.960 -0.013 0.000 0.686 186 G HA3 -0.221 3.731 3.960 -0.013 0.000 0.686 186 G C -1.246 173.730 174.900 0.126 0.000 1.301 186 G CA -0.760 44.349 45.100 0.015 0.000 0.816 186 G HN 0.263 nan 8.290 nan 0.000 0.595 187 N N 1.116 119.837 118.700 0.034 0.000 2.524 187 N HA 0.579 5.312 4.740 -0.013 0.000 0.261 187 N C -0.685 174.832 175.510 0.012 0.000 0.998 187 N CA -1.958 51.131 53.050 0.065 0.000 0.915 187 N CB 2.065 40.528 38.487 -0.039 0.000 1.187 187 N HN 0.239 nan 8.380 nan 0.000 0.507 188 P HA 0.020 nan 4.420 nan 0.000 0.229 188 P C 0.640 177.644 177.300 -0.492 0.000 1.160 188 P CA 0.746 63.547 63.100 -0.498 0.000 0.777 188 P CB 0.118 31.202 31.700 -1.026 0.000 0.814 189 W N 1.918 123.223 121.300 0.008 0.000 2.576 189 W HA 0.042 4.695 4.660 -0.012 0.000 0.270 189 W C 1.320 177.878 176.519 0.064 0.000 1.255 189 W CA -0.311 57.036 57.345 0.004 0.000 1.314 189 W CB -0.312 29.150 29.460 0.003 0.000 1.101 189 W HN 0.007 nan 8.180 nan 0.000 0.595 190 E N 1.770 122.146 120.200 0.294 0.000 2.349 190 E HA 0.303 4.646 4.350 -0.013 0.000 0.265 190 E C -0.626 176.144 176.600 0.284 0.000 1.064 190 E CA -0.691 55.893 56.400 0.306 0.000 0.886 190 E CB 1.276 31.171 29.700 0.325 0.000 1.036 190 E HN -0.311 nan 8.360 nan 0.000 0.413 191 K N 1.512 122.094 120.400 0.302 0.000 2.535 191 K HA 0.415 4.727 4.320 -0.013 0.000 0.253 191 K C -1.176 175.439 176.600 0.025 0.000 0.953 191 K CA -0.479 55.913 56.287 0.175 0.000 0.863 191 K CB 1.580 34.186 32.500 0.177 0.000 1.111 191 K HN 0.665 nan 8.250 nan 0.000 0.431 192 A N 4.210 126.945 122.820 -0.142 0.000 2.511 192 A HA 0.308 4.620 4.320 -0.013 0.000 0.242 192 A C -0.262 177.114 177.584 -0.347 0.000 1.069 192 A CA -0.037 51.648 52.037 -0.586 0.000 0.763 192 A CB 0.193 18.840 19.000 -0.589 0.000 1.001 192 A HN 0.670 nan 8.150 nan 0.000 0.498 193 R N 3.261 123.547 120.500 -0.356 0.000 2.835 193 R HA 0.205 4.537 4.340 -0.013 0.000 0.290 193 R C -2.360 173.795 176.300 -0.242 0.000 1.410 193 R CA -1.704 54.258 56.100 -0.231 0.000 1.590 193 R CB 0.652 30.955 30.300 0.006 0.000 1.288 193 R HN 0.574 nan 8.270 nan 0.000 0.637 194 P HA -0.174 nan 4.420 nan 0.000 0.222 194 P C 0.928 178.131 177.300 -0.162 0.000 1.147 194 P CA 1.045 64.052 63.100 -0.154 0.000 0.790 194 P CB 0.384 32.005 31.700 -0.133 0.000 0.780 195 E N -0.179 119.816 120.200 -0.342 0.000 2.268 195 E HA -0.140 4.202 4.350 -0.013 0.000 0.195 195 E C 0.550 176.951 176.600 -0.331 0.000 0.995 195 E CA 0.929 57.076 56.400 -0.422 0.000 0.836 195 E CB -0.819 28.490 29.700 -0.652 0.000 0.763 195 E HN 0.266 nan 8.360 nan 0.000 0.491 196 F N 1.925 121.891 119.950 0.028 0.000 2.684 196 F HA 0.286 4.805 4.527 -0.013 0.000 0.298 196 F C 0.398 176.292 175.800 0.157 0.000 1.120 196 F CA -0.708 57.339 58.000 0.078 0.000 1.332 196 F CB -0.105 38.937 39.000 0.070 0.000 0.986 196 F HN -0.302 nan 8.300 nan 0.000 0.524 197 T N 2.877 117.572 114.554 0.236 0.000 2.928 197 T HA 0.299 4.641 4.350 -0.013 0.000 0.305 197 T C -0.203 174.602 174.700 0.176 0.000 1.035 197 T CA 0.350 62.586 62.100 0.226 0.000 1.145 197 T CB 0.696 69.646 68.868 0.137 0.000 0.963 197 T HN -0.154 nan 8.240 nan 0.000 0.545 198 L N 5.607 126.904 121.223 0.123 0.000 2.381 198 L HA 0.544 4.876 4.340 -0.013 0.000 0.268 198 L C -2.218 174.613 176.870 -0.066 0.000 0.997 198 L CA -2.596 52.244 54.840 0.000 0.000 0.818 198 L CB 1.933 43.925 42.059 -0.113 0.000 1.310 198 L HN 0.384 nan 8.230 nan 0.000 0.416 199 P HA 0.337 nan 4.420 nan 0.000 0.284 199 P C -1.132 176.041 177.300 -0.212 0.000 1.253 199 P CA -0.315 62.705 63.100 -0.133 0.000 0.800 199 P CB 1.592 33.208 31.700 -0.141 0.000 0.961 200 V N 3.922 123.699 119.914 -0.227 0.000 2.604 200 V HA 0.322 4.434 4.120 -0.013 0.000 0.305 200 V C 0.180 176.069 176.094 -0.342 0.000 1.043 200 V CA -0.622 61.529 62.300 -0.248 0.000 0.888 200 V CB 1.450 33.179 31.823 -0.156 0.000 0.995 200 V HN 0.601 nan 8.190 nan 0.000 0.429 201 H N 3.824 122.749 119.070 -0.242 0.000 2.463 201 H HA 0.622 5.170 4.556 -0.013 0.000 0.332 201 H C -1.281 173.798 175.328 -0.415 0.000 1.127 201 H CA -0.129 55.709 56.048 -0.351 0.000 1.238 201 H CB 1.884 31.196 29.762 -0.751 0.000 1.478 201 H HN 0.482 nan 8.280 nan 0.000 0.499 202 F N 0.371 120.401 119.950 0.133 0.000 2.613 202 F HA 0.211 4.730 4.527 -0.013 0.000 0.314 202 F C -0.243 175.691 175.800 0.225 0.000 1.075 202 F CA -0.541 57.541 58.000 0.137 0.000 0.945 202 F CB 1.112 40.101 39.000 -0.019 0.000 1.310 202 F HN 0.560 nan 8.300 nan 0.000 0.467 203 Y N 0.181 120.787 120.300 0.511 0.000 2.904 203 Y HA -0.014 4.529 4.550 -0.013 0.000 0.466 203 Y C 1.357 177.513 175.900 0.427 0.000 1.202 203 Y CA 0.657 58.974 58.100 0.361 0.000 2.492 203 Y CB -1.919 36.681 38.460 0.233 0.000 1.237 203 Y HN 1.283 nan 8.280 nan 0.000 0.633 204 G N 0.677 109.754 108.800 0.461 0.000 2.593 204 G HA2 0.094 4.046 3.960 -0.013 0.000 0.237 204 G HA3 0.094 4.046 3.960 -0.013 0.000 0.237 204 G C -0.572 174.542 174.900 0.357 0.000 1.312 204 G CA 0.947 46.240 45.100 0.321 0.000 0.896 204 G HN 1.380 nan 8.290 nan 0.000 0.574 205 R N -2.523 118.186 120.500 0.349 0.000 2.734 205 R HA 0.696 5.029 4.340 -0.013 0.000 0.271 205 R C -1.380 175.065 176.300 0.242 0.000 1.021 205 R CA -0.988 55.261 56.100 0.248 0.000 0.893 205 R CB 1.319 31.709 30.300 0.150 0.000 1.244 205 R HN 0.872 nan 8.270 nan 0.000 0.464 206 V N 0.930 120.902 119.914 0.097 0.000 2.394 206 V HA 0.342 4.455 4.120 -0.013 0.000 0.282 206 V C -0.163 175.881 176.094 -0.084 0.000 1.031 206 V CA -0.435 61.850 62.300 -0.024 0.000 0.881 206 V CB 1.261 33.005 31.823 -0.131 0.000 0.982 206 V HN 0.736 nan 8.190 nan 0.000 0.451 207 E N 3.124 123.244 120.200 -0.133 0.000 2.171 207 E HA 0.414 4.756 4.350 -0.013 0.000 0.271 207 E C -1.078 175.377 176.600 -0.240 0.000 0.916 207 E CA -0.708 55.631 56.400 -0.102 0.000 0.774 207 E CB 0.955 30.644 29.700 -0.019 0.000 1.128 207 E HN 0.727 nan 8.360 nan 0.000 0.403 208 H N 2.346 121.432 119.070 0.026 0.000 2.476 208 H HA 0.270 4.818 4.556 -0.013 0.000 0.328 208 H C 0.116 175.454 175.328 0.016 0.000 1.073 208 H CA -0.311 55.748 56.048 0.017 0.000 1.229 208 H CB 1.653 31.420 29.762 0.009 0.000 1.432 208 H HN 0.616 nan 8.280 nan 0.000 0.477 209 T N -1.083 113.539 114.554 0.113 0.000 2.762 209 T HA 0.219 4.561 4.350 -0.013 0.000 0.272 209 T C 1.277 176.017 174.700 0.066 0.000 0.982 209 T CA -0.736 61.406 62.100 0.070 0.000 1.013 209 T CB 1.090 69.982 68.868 0.040 0.000 1.309 209 T HN 0.335 nan 8.240 nan 0.000 0.572 210 S N -0.056 115.670 115.700 0.044 0.000 2.402 210 S HA -0.042 4.421 4.470 -0.013 0.000 0.229 210 S C 1.460 176.081 174.600 0.036 0.000 1.021 210 S CA 0.926 59.147 58.200 0.035 0.000 0.974 210 S CB -0.401 62.814 63.200 0.026 0.000 0.800 210 S HN 0.650 nan 8.310 nan 0.000 0.484 211 Q N 0.776 120.597 119.800 0.035 0.000 2.225 211 Q HA 0.432 4.764 4.340 -0.013 0.000 0.222 211 Q C 0.858 176.880 176.000 0.037 0.000 0.887 211 Q CA 0.258 56.081 55.803 0.032 0.000 0.958 211 Q CB -0.156 28.596 28.738 0.024 0.000 1.058 211 Q HN 0.485 nan 8.270 nan 0.000 0.459 212 G N -0.133 108.701 108.800 0.056 0.000 2.615 212 G HA2 -0.093 3.860 3.960 -0.013 0.000 0.218 212 G HA3 -0.093 3.860 3.960 -0.013 0.000 0.218 212 G C -0.440 174.497 174.900 0.062 0.000 1.339 212 G CA -0.685 44.460 45.100 0.075 0.000 0.884 212 G HN 0.551 nan 8.290 nan 0.000 0.559 213 A N -0.097 122.742 122.820 0.032 0.000 2.322 213 A HA 0.698 5.010 4.320 -0.013 0.000 0.269 213 A C 0.425 177.960 177.584 -0.081 0.000 1.094 213 A CA 0.464 52.433 52.037 -0.114 0.000 0.807 213 A CB 0.652 19.555 19.000 -0.162 0.000 1.047 213 A HN 0.737 nan 8.150 nan 0.000 0.487 214 K N 0.773 121.110 120.400 -0.104 0.000 2.482 214 K HA 0.184 4.497 4.320 -0.013 0.000 0.251 214 K C -1.956 174.676 176.600 0.053 0.000 0.936 214 K CA -0.341 55.936 56.287 -0.018 0.000 0.791 214 K CB 2.079 34.571 32.500 -0.014 0.000 1.213 214 K HN 0.755 nan 8.250 nan 0.000 0.428 215 W N 5.442 126.661 121.300 -0.135 0.000 2.308 215 W HA 0.362 5.014 4.660 -0.013 0.000 0.311 215 W C -0.641 175.818 176.519 -0.100 0.000 1.088 215 W CA -0.741 56.532 57.345 -0.121 0.000 1.309 215 W CB 0.153 29.529 29.460 -0.141 0.000 1.229 215 W HN 0.283 nan 8.180 nan 0.000 0.427 216 V N 2.690 122.648 119.914 0.075 0.000 3.141 216 V HA 0.608 4.720 4.120 -0.013 0.000 0.312 216 V C -0.188 175.884 176.094 -0.037 0.000 1.157 216 V CA -0.989 61.284 62.300 -0.045 0.000 1.041 216 V CB 1.987 33.814 31.823 0.007 0.000 1.071 216 V HN 0.457 nan 8.190 nan 0.000 0.441 217 D N 0.200 120.580 120.400 -0.032 0.000 2.837 217 D HA -0.138 4.495 4.640 -0.013 0.000 0.230 217 D C 0.546 176.853 176.300 0.012 0.000 1.152 217 D CA 1.547 55.551 54.000 0.006 0.000 0.736 217 D CB -1.580 39.245 40.800 0.042 0.000 1.084 217 D HN 1.307 nan 8.370 nan 0.000 0.429 218 T N -2.655 111.862 114.554 -0.063 0.000 2.882 218 T HA 0.460 4.802 4.350 -0.013 0.000 0.287 218 T C 0.481 175.236 174.700 0.092 0.000 1.014 218 T CA -0.716 61.361 62.100 -0.039 0.000 1.049 218 T CB 1.938 70.627 68.868 -0.299 0.000 1.001 218 T HN 0.033 nan 8.240 nan 0.000 0.525 219 Q N 0.772 120.696 119.800 0.207 0.000 2.261 219 Q HA 0.530 4.863 4.340 -0.013 0.000 0.252 219 Q C -0.864 175.261 176.000 0.209 0.000 0.915 219 Q CA -0.805 55.141 55.803 0.238 0.000 0.915 219 Q CB 1.691 30.647 28.738 0.364 0.000 1.204 219 Q HN 0.516 nan 8.270 nan 0.000 0.421 220 V N 3.263 123.260 119.914 0.139 0.000 2.435 220 V HA 0.381 4.493 4.120 -0.013 0.000 0.290 220 V C -0.304 175.880 176.094 0.149 0.000 1.030 220 V CA -0.612 61.692 62.300 0.006 0.000 0.881 220 V CB 1.685 33.453 31.823 -0.091 0.000 0.983 220 V HN 0.486 nan 8.190 nan 0.000 0.445 221 V N 6.032 126.044 119.914 0.163 0.000 2.604 221 V HA 0.480 4.592 4.120 -0.013 0.000 0.305 221 V C -0.125 176.070 176.094 0.168 0.000 1.043 221 V CA -0.650 61.767 62.300 0.195 0.000 0.888 221 V CB 1.941 33.955 31.823 0.318 0.000 0.995 221 V HN 0.632 nan 8.190 nan 0.000 0.429 222 L N 3.597 124.909 121.223 0.148 0.000 2.350 222 L HA 0.710 5.043 4.340 -0.013 0.000 0.275 222 L C 0.469 177.521 176.870 0.303 0.000 1.099 222 L CA -0.309 54.623 54.840 0.154 0.000 0.808 222 L CB 1.279 43.406 42.059 0.113 0.000 1.149 222 L HN 0.755 nan 8.230 nan 0.000 0.442 223 A N 5.202 128.152 122.820 0.215 0.000 2.267 223 A HA 0.564 4.876 4.320 -0.013 0.000 0.315 223 A C -0.458 177.398 177.584 0.454 0.000 1.297 223 A CA -0.471 51.727 52.037 0.268 0.000 0.865 223 A CB 0.876 19.596 19.000 -0.466 0.000 1.165 223 A HN 0.789 nan 8.150 nan 0.000 0.513 224 M N 5.957 125.880 119.600 0.537 0.000 2.129 224 M HA 0.452 4.925 4.480 -0.013 0.000 0.348 224 M C -2.598 173.975 176.300 0.456 0.000 1.116 224 M CA -2.134 53.425 55.300 0.432 0.000 1.022 224 M CB 1.943 34.717 32.600 0.290 0.000 1.599 224 M HN 0.338 nan 8.290 nan 0.000 0.449 225 P HA 0.255 nan 4.420 nan 0.000 0.288 225 P C -1.938 175.319 177.300 -0.071 0.000 1.267 225 P CA -0.022 63.002 63.100 -0.126 0.000 0.815 225 P CB 0.523 31.964 31.700 -0.431 0.000 0.989 226 Y N 0.668 120.909 120.300 -0.097 0.000 2.341 226 Y HA 0.340 4.883 4.550 -0.013 0.000 0.338 226 Y C 0.225 176.115 175.900 -0.017 0.000 0.965 226 Y CA -0.267 57.829 58.100 -0.007 0.000 1.108 226 Y CB 1.304 39.790 38.460 0.045 0.000 1.180 226 Y HN 0.221 nan 8.280 nan 0.000 0.458 227 D N 1.919 122.429 120.400 0.184 0.000 2.193 227 D HA 0.404 5.036 4.640 -0.013 0.000 0.244 227 D C -0.623 175.908 176.300 0.384 0.000 1.064 227 D CA -0.262 53.886 54.000 0.246 0.000 0.845 227 D CB 1.727 42.692 40.800 0.275 0.000 1.148 227 D HN 0.371 nan 8.370 nan 0.000 0.464 228 T N 3.196 117.885 114.554 0.226 0.000 2.807 228 T HA 0.473 4.816 4.350 -0.013 0.000 0.279 228 T C -2.523 172.028 174.700 -0.248 0.000 0.993 228 T CA -1.500 60.630 62.100 0.050 0.000 0.970 228 T CB 2.016 70.903 68.868 0.032 0.000 0.950 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.295 nan 4.420 nan 0.000 0.275 229 P C -0.987 175.977 177.300 -0.561 0.000 1.227 229 P CA -0.380 62.027 63.100 -1.155 0.000 0.781 229 P CB 0.789 31.595 31.700 -1.490 0.000 0.906 230 V N 5.380 125.034 119.914 -0.433 0.000 2.305 230 V HA 0.265 4.378 4.120 -0.013 0.000 0.275 230 V C -2.049 173.911 176.094 -0.223 0.000 1.020 230 V CA -1.954 60.183 62.300 -0.272 0.000 0.811 230 V CB 1.300 33.012 31.823 -0.185 0.000 1.031 230 V HN 0.542 nan 8.190 nan 0.000 0.439 231 P HA 0.274 nan 4.420 nan 0.000 0.280 231 P C 0.366 177.613 177.300 -0.087 0.000 1.244 231 P CA 0.258 63.268 63.100 -0.151 0.000 0.784 231 P CB 1.539 33.147 31.700 -0.154 0.000 0.913 232 G N 2.121 110.888 108.800 -0.055 0.000 2.572 232 G HA2 0.126 4.079 3.960 -0.013 0.000 0.261 232 G HA3 0.126 4.079 3.960 -0.013 0.000 0.261 232 G C -1.139 173.770 174.900 0.015 0.000 1.197 232 G CA -0.556 44.541 45.100 -0.006 0.000 0.870 232 G HN 0.517 nan 8.290 nan 0.000 0.548 233 Y N 0.675 120.937 120.300 -0.063 0.000 2.624 233 Y HA 0.259 4.801 4.550 -0.013 0.000 0.354 233 Y C 1.221 177.085 175.900 -0.061 0.000 1.051 233 Y CA -0.214 57.844 58.100 -0.069 0.000 1.377 233 Y CB 0.069 38.486 38.460 -0.071 0.000 1.168 233 Y HN 0.717 nan 8.280 nan 0.000 0.525 234 R N 2.793 122.997 120.500 -0.493 0.000 3.627 234 R HA -0.318 4.015 4.340 -0.013 0.000 0.281 234 R C 0.074 176.239 176.300 -0.225 0.000 1.140 234 R CA 1.458 57.293 56.100 -0.443 0.000 0.761 234 R CB -1.919 27.959 30.300 -0.702 0.000 1.181 234 R HN 0.947 nan 8.270 nan 0.000 0.472 235 N N -1.300 117.318 118.700 -0.135 0.000 2.177 235 N HA 0.055 4.787 4.740 -0.013 0.000 0.218 235 N C -0.210 175.257 175.510 -0.072 0.000 1.182 235 N CA -0.322 52.680 53.050 -0.080 0.000 0.882 235 N CB 0.509 38.974 38.487 -0.035 0.000 1.052 235 N HN 0.091 nan 8.380 nan 0.000 0.519 236 N N -0.134 118.518 118.700 -0.079 0.000 2.753 236 N HA -0.134 4.598 4.740 -0.013 0.000 0.251 236 N C -0.919 174.555 175.510 -0.060 0.000 1.097 236 N CA 0.603 53.615 53.050 -0.065 0.000 0.786 236 N CB -1.351 37.099 38.487 -0.063 0.000 1.137 236 N HN 0.191 nan 8.380 nan 0.000 0.566 237 V N 1.164 121.047 119.914 -0.051 0.000 2.465 237 V HA 0.414 4.526 4.120 -0.013 0.000 0.279 237 V C 0.625 176.695 176.094 -0.040 0.000 1.045 237 V CA -0.459 61.819 62.300 -0.036 0.000 0.938 237 V CB 2.077 33.905 31.823 0.008 0.000 0.986 237 V HN -0.027 nan 8.190 nan 0.000 0.467 238 V N 5.411 125.307 119.914 -0.030 0.000 2.419 238 V HA 0.439 4.552 4.120 -0.013 0.000 0.287 238 V C -0.109 175.987 176.094 0.004 0.000 1.017 238 V CA -0.847 61.411 62.300 -0.070 0.000 0.844 238 V CB 1.484 33.242 31.823 -0.108 0.000 1.011 238 V HN 0.841 nan 8.190 nan 0.000 0.429 239 N N 1.950 120.621 118.700 -0.049 0.000 2.448 239 N HA 0.569 5.301 4.740 -0.013 0.000 0.274 239 N C -0.072 175.423 175.510 -0.025 0.000 1.239 239 N CA -0.308 52.729 53.050 -0.021 0.000 0.982 239 N CB 1.263 39.695 38.487 -0.092 0.000 1.199 239 N HN 0.577 nan 8.380 nan 0.000 0.576 240 T N 0.783 115.324 114.554 -0.021 0.000 2.824 240 T HA 0.389 4.731 4.350 -0.013 0.000 0.282 240 T C -0.228 174.440 174.700 -0.054 0.000 0.993 240 T CA -0.504 61.659 62.100 0.105 0.000 0.967 240 T CB 1.033 70.079 68.868 0.297 0.000 0.960 240 T HN 0.295 nan 8.240 nan 0.000 0.441 241 M N 3.883 123.418 119.600 -0.108 0.000 2.101 241 M HA 0.492 4.964 4.480 -0.013 0.000 0.340 241 M C -0.425 175.736 176.300 -0.233 0.000 1.057 241 M CA -0.736 54.413 55.300 -0.252 0.000 0.984 241 M CB 0.655 33.046 32.600 -0.349 0.000 1.560 241 M HN 0.484 nan 8.290 nan 0.000 0.435 242 R N 6.003 126.258 120.500 -0.408 0.000 2.265 242 R HA 0.614 4.946 4.340 -0.013 0.000 0.328 242 R C -1.938 174.083 176.300 -0.464 0.000 0.969 242 R CA -0.434 55.380 56.100 -0.475 0.000 0.832 242 R CB 0.844 30.686 30.300 -0.764 0.000 1.139 242 R HN 0.815 nan 8.270 nan 0.000 0.457 243 L N 5.092 126.147 121.223 -0.279 0.000 2.322 243 L HA 0.495 4.827 4.340 -0.013 0.000 0.281 243 L C -0.791 176.031 176.870 -0.080 0.000 1.014 243 L CA -0.926 53.839 54.840 -0.125 0.000 0.815 243 L CB 1.455 43.530 42.059 0.027 0.000 1.247 243 L HN 0.584 nan 8.230 nan 0.000 0.421 244 W N 1.883 123.302 121.300 0.198 0.000 2.315 244 W HA 0.460 5.112 4.660 -0.013 0.000 0.316 244 W C 0.583 177.318 176.519 0.360 0.000 1.211 244 W CA -0.141 57.341 57.345 0.229 0.000 1.201 244 W CB 1.397 30.852 29.460 -0.009 0.000 1.184 244 W HN 0.346 nan 8.180 nan 0.000 0.544 245 S N 1.904 118.005 115.700 0.667 0.000 2.482 245 S HA 0.761 5.223 4.470 -0.013 0.000 0.303 245 S C -0.456 174.477 174.600 0.556 0.000 1.091 245 S CA -0.732 57.766 58.200 0.497 0.000 1.057 245 S CB 0.621 64.047 63.200 0.377 0.000 1.031 245 S HN 0.528 nan 8.310 nan 0.000 0.485 246 A N 4.914 127.906 122.820 0.286 0.000 2.366 246 A HA 0.631 4.943 4.320 -0.013 0.000 0.272 246 A C -0.109 177.529 177.584 0.089 0.000 1.135 246 A CA -0.238 51.852 52.037 0.088 0.000 0.804 246 A CB 0.328 19.098 19.000 -0.383 0.000 1.064 246 A HN 0.670 nan 8.150 nan 0.000 0.499 247 K N 1.285 121.751 120.400 0.110 0.000 2.468 247 K HA 0.576 4.888 4.320 -0.013 0.000 0.252 247 K C -0.494 176.089 176.600 -0.029 0.000 0.932 247 K CA -0.422 55.891 56.287 0.044 0.000 0.794 247 K CB 2.244 34.804 32.500 0.099 0.000 1.241 247 K HN 0.842 nan 8.250 nan 0.000 0.428 248 A N 4.467 127.200 122.820 -0.144 0.000 2.425 248 A HA 0.417 4.729 4.320 -0.013 0.000 0.249 248 A C -2.083 175.463 177.584 -0.062 0.000 1.084 248 A CA -0.953 50.924 52.037 -0.268 0.000 0.781 248 A CB -0.315 18.314 19.000 -0.617 0.000 1.019 248 A HN 0.348 nan 8.150 nan 0.000 0.490 249 P HA 0.113 nan 4.420 nan 0.000 0.272 249 P C 0.037 177.417 177.300 0.133 0.000 1.230 249 P CA -0.392 62.769 63.100 0.101 0.000 0.788 249 P CB 0.595 32.377 31.700 0.136 0.000 0.949 250 N N 0.862 119.623 118.700 0.103 0.000 2.381 250 N HA -0.116 4.616 4.740 -0.013 0.000 0.182 250 N C 0.800 176.385 175.510 0.124 0.000 1.025 250 N CA 1.062 54.173 53.050 0.102 0.000 0.888 250 N CB -0.466 38.066 38.487 0.074 0.000 0.965 250 N HN 0.551 nan 8.380 nan 0.000 0.438 251 D N -0.840 119.635 120.400 0.125 0.000 2.325 251 D HA -0.074 4.559 4.640 -0.013 0.000 0.225 251 D C 0.043 176.415 176.300 0.121 0.000 1.096 251 D CA -0.578 53.486 54.000 0.107 0.000 0.844 251 D CB -1.053 39.790 40.800 0.072 0.000 0.925 251 D HN 0.051 nan 8.370 nan 0.000 0.513 252 F N 2.354 122.318 119.950 0.023 0.000 2.590 252 F HA 0.024 4.544 4.527 -0.013 0.000 0.389 252 F C 0.959 176.764 175.800 0.008 0.000 1.049 252 F CA 0.553 58.562 58.000 0.017 0.000 1.199 252 F CB -0.368 38.641 39.000 0.015 0.000 1.058 252 F HN 0.055 nan 8.300 nan 0.000 0.556 253 N N 2.517 120.875 118.700 -0.570 0.000 2.732 253 N HA -0.286 4.447 4.740 -0.013 0.000 0.250 253 N C -0.614 174.815 175.510 -0.135 0.000 1.097 253 N CA 0.638 53.455 53.050 -0.390 0.000 0.812 253 N CB -0.940 37.305 38.487 -0.404 0.000 1.148 253 N HN 0.434 nan 8.380 nan 0.000 0.572 262 Y N 0.839 121.144 120.300 0.008 0.000 2.145 262 Y HA -0.040 4.503 4.550 -0.013 0.000 0.286 262 Y C 2.689 178.602 175.900 0.022 0.000 1.145 262 Y CA 2.292 60.400 58.100 0.014 0.000 1.148 262 Y CB -0.072 38.396 38.460 0.013 0.000 0.981 262 Y HN 0.229 nan 8.280 nan 0.000 0.507 263 I N 0.435 120.949 120.570 -0.093 0.000 2.179 263 I HA -0.295 3.867 4.170 -0.013 0.000 0.242 263 I C 2.358 178.381 176.117 -0.157 0.000 1.088 263 I CA 1.770 62.963 61.300 -0.179 0.000 1.357 263 I CB -1.341 36.657 38.000 -0.002 0.000 1.051 263 I HN 0.334 nan 8.210 nan 0.000 0.409 264 Q N 1.128 120.884 119.800 -0.074 0.000 2.084 264 Q HA -0.118 4.215 4.340 -0.013 0.000 0.202 264 Q C 2.244 178.214 176.000 -0.050 0.000 0.978 264 Q CA 2.239 58.015 55.803 -0.045 0.000 0.844 264 Q CB -0.351 28.377 28.738 -0.017 0.000 0.898 264 Q HN 0.478 nan 8.270 nan 0.000 0.426 265 A N -0.811 121.962 122.820 -0.077 0.000 1.933 265 A HA -0.138 4.174 4.320 -0.013 0.000 0.218 265 A C 2.245 179.815 177.584 -0.022 0.000 1.175 265 A CA 1.669 53.676 52.037 -0.050 0.000 0.628 265 A CB -0.751 18.215 19.000 -0.057 0.000 0.814 265 A HN 0.269 nan 8.150 nan 0.000 0.444 266 V N 0.101 119.919 119.914 -0.160 0.000 2.358 266 V HA -0.220 3.893 4.120 -0.013 0.000 0.246 266 V C 2.500 178.567 176.094 -0.045 0.000 1.047 266 V CA 1.809 64.030 62.300 -0.132 0.000 1.035 266 V CB -0.724 30.923 31.823 -0.292 0.000 0.658 266 V HN 0.570 nan 8.190 nan 0.000 0.452 267 L N -0.223 120.970 121.223 -0.051 0.000 2.201 267 L HA -0.136 4.196 4.340 -0.013 0.000 0.212 267 L C 1.990 178.877 176.870 0.027 0.000 1.105 267 L CA 1.162 55.993 54.840 -0.015 0.000 0.775 267 L CB -0.644 41.404 42.059 -0.019 0.000 0.913 267 L HN 0.324 nan 8.230 nan 0.000 0.440 268 D N 0.004 120.448 120.400 0.074 0.000 2.371 268 D HA -0.073 4.560 4.640 -0.013 0.000 0.221 268 D C 2.137 178.586 176.300 0.247 0.000 0.986 268 D CA 0.444 54.540 54.000 0.159 0.000 0.899 268 D CB 0.012 40.916 40.800 0.175 0.000 0.902 268 D HN 0.216 nan 8.370 nan 0.000 0.530 269 R N 0.295 120.865 120.500 0.117 0.000 2.159 269 R HA -0.080 4.252 4.340 -0.013 0.000 0.237 269 R C 1.708 177.872 176.300 -0.226 0.000 1.131 269 R CA 0.988 56.967 56.100 -0.203 0.000 0.982 269 R CB -0.281 29.935 30.300 -0.140 0.000 0.868 269 R HN 0.354 nan 8.270 nan 0.000 0.453 270 N N 0.338 118.993 118.700 -0.075 0.000 2.137 270 N HA -0.197 4.536 4.740 -0.013 0.000 0.190 270 N C 1.280 176.758 175.510 -0.053 0.000 1.017 270 N CA 0.792 53.812 53.050 -0.051 0.000 0.859 270 N CB -0.124 38.359 38.487 -0.007 0.000 1.002 270 N HN 0.011 nan 8.380 nan 0.000 0.428 271 L N 1.177 122.388 121.223 -0.020 0.000 2.013 271 L HA -0.184 4.148 4.340 -0.013 0.000 0.212 271 L C 2.475 179.314 176.870 -0.053 0.000 1.073 271 L CA 1.574 56.421 54.840 0.012 0.000 0.753 271 L CB -1.162 40.968 42.059 0.117 0.000 0.890 271 L HN 0.183 nan 8.230 nan 0.000 0.432 272 A N -1.032 121.684 122.820 -0.174 0.000 1.898 272 A HA -0.175 4.137 4.320 -0.013 0.000 0.216 272 A C 2.174 179.640 177.584 -0.197 0.000 1.181 272 A CA 1.447 53.349 52.037 -0.226 0.000 0.620 272 A CB -0.461 18.252 19.000 -0.478 0.000 0.819 272 A HN 0.516 nan 8.150 nan 0.000 0.442 273 E N 0.016 120.110 120.200 -0.178 0.000 2.427 273 E HA -0.078 4.264 4.350 -0.013 0.000 0.196 273 E C 1.111 177.668 176.600 -0.071 0.000 1.028 273 E CA 0.244 56.574 56.400 -0.117 0.000 0.864 273 E CB -0.112 29.538 29.700 -0.084 0.000 0.813 273 E HN 0.461 nan 8.360 nan 0.000 0.514 274 N N 0.934 119.600 118.700 -0.057 0.000 2.364 274 N HA -0.119 4.613 4.740 -0.013 0.000 0.183 274 N C 1.564 177.068 175.510 -0.011 0.000 1.022 274 N CA 0.690 53.735 53.050 -0.008 0.000 0.883 274 N CB -0.051 38.437 38.487 0.000 0.000 0.965 274 N HN 0.258 nan 8.380 nan 0.000 0.438 275 I N 0.377 120.882 120.570 -0.108 0.000 2.208 275 I HA -0.255 3.907 4.170 -0.013 0.000 0.245 275 I C 1.520 177.604 176.117 -0.056 0.000 1.097 275 I CA 1.297 62.502 61.300 -0.157 0.000 1.363 275 I CB -0.198 37.533 38.000 -0.447 0.000 1.051 275 I HN 0.132 nan 8.210 nan 0.000 0.413 276 S N -0.459 115.202 115.700 -0.064 0.000 2.582 276 S HA 0.167 4.629 4.470 -0.013 0.000 0.234 276 S C 1.515 176.244 174.600 0.214 0.000 0.961 276 S CA -0.477 57.773 58.200 0.083 0.000 0.953 276 S CB 0.174 63.415 63.200 0.068 0.000 0.800 276 S HN 0.219 nan 8.310 nan 0.000 0.471 277 R N 1.208 121.839 120.500 0.217 0.000 2.075 277 R HA 0.287 4.619 4.340 -0.013 0.000 0.226 277 R C 0.332 176.883 176.300 0.419 0.000 1.114 277 R CA 1.042 57.311 56.100 0.283 0.000 0.972 277 R CB -0.189 30.243 30.300 0.220 0.000 0.869 277 R HN 0.383 nan 8.270 nan 0.000 0.437 278 V N 0.520 120.645 119.914 0.351 0.000 2.851 278 V HA 0.346 4.459 4.120 -0.013 0.000 0.307 278 V C -1.582 174.499 176.094 -0.022 0.000 1.129 278 V CA -1.371 61.060 62.300 0.217 0.000 0.932 278 V CB 1.764 33.634 31.823 0.080 0.000 1.024 278 V HN 0.154 nan 8.190 nan 0.000 0.426 279 L N 7.087 128.068 121.223 -0.404 0.000 2.410 279 L HA 0.443 4.776 4.340 -0.013 0.000 0.273 279 L C -0.779 175.937 176.870 -0.256 0.000 1.144 279 L CA 0.482 54.874 54.840 -0.747 0.000 0.863 279 L CB 0.358 41.892 42.059 -0.874 0.000 1.140 279 L HN 0.675 nan 8.230 nan 0.000 0.463 280 Y N 7.055 127.272 120.300 -0.139 0.000 2.650 280 Y HA 0.167 4.709 4.550 -0.013 0.000 0.331 280 Y C -1.359 174.535 175.900 -0.010 0.000 1.165 280 Y CA -1.138 56.950 58.100 -0.020 0.000 1.473 280 Y CB 0.261 38.734 38.460 0.023 0.000 1.224 280 Y HN 0.573 nan 8.280 nan 0.000 0.533 281 P HA 0.032 nan 4.420 nan 0.000 0.249 281 P C -0.881 176.551 177.300 0.221 0.000 1.544 281 P CA 0.085 63.292 63.100 0.178 0.000 0.932 281 P CB 0.112 32.005 31.700 0.321 0.000 1.524 282 N N 1.316 120.156 118.700 0.233 0.000 2.434 282 N HA 0.158 4.890 4.740 -0.013 0.000 0.272 282 N C -0.656 175.007 175.510 0.256 0.000 1.040 282 N CA 0.081 53.293 53.050 0.270 0.000 0.956 282 N CB 1.169 39.863 38.487 0.345 0.000 1.108 282 N HN 0.074 nan 8.380 nan 0.000 0.481 283 D N 0.937 121.521 120.400 0.306 0.000 2.303 283 D HA 0.199 4.832 4.640 -0.013 0.000 0.236 283 D C -0.146 176.443 176.300 0.483 0.000 1.068 283 D CA -0.316 53.903 54.000 0.366 0.000 0.830 283 D CB 0.266 41.320 40.800 0.423 0.000 1.109 283 D HN 0.356 nan 8.370 nan 0.000 0.496 284 N N 2.951 121.857 118.700 0.343 0.000 2.740 284 N HA -0.248 4.485 4.740 -0.013 0.000 0.248 284 N C -1.342 174.402 175.510 0.390 0.000 1.062 284 N CA 0.575 53.796 53.050 0.284 0.000 0.704 284 N CB -0.731 37.846 38.487 0.149 0.000 0.968 284 N HN 0.365 nan 8.380 nan 0.000 0.547 285 F N 0.763 120.818 119.950 0.176 0.000 2.623 285 F HA 0.403 4.922 4.527 -0.013 0.000 0.323 285 F C -1.335 174.540 175.800 0.126 0.000 1.158 285 F CA -1.065 57.011 58.000 0.127 0.000 1.030 285 F CB 0.884 39.928 39.000 0.073 0.000 1.280 285 F HN -0.013 nan 8.300 nan 0.000 0.474 286 F N 6.189 125.678 119.950 -0.768 0.000 2.411 286 F HA 0.458 4.978 4.527 -0.013 0.000 0.355 286 F C -0.390 174.877 175.800 -0.889 0.000 1.117 286 F CA -0.107 57.493 58.000 -0.666 0.000 1.139 286 F CB 0.667 39.351 39.000 -0.527 0.000 1.120 286 F HN 0.595 nan 8.300 nan 0.000 0.493 287 E N 4.261 123.800 120.200 -1.101 0.000 2.155 287 E HA 0.309 4.651 4.350 -0.013 0.000 0.264 287 E C -0.135 175.728 176.600 -1.228 0.000 0.886 287 E CA -0.767 55.081 56.400 -0.921 0.000 0.752 287 E CB 1.374 30.910 29.700 -0.275 0.000 1.133 287 E HN 0.921 nan 8.360 nan 0.000 0.414 288 G N 5.297 113.323 108.800 -1.290 0.000 3.316 288 G HA2 0.050 4.002 3.960 -0.013 0.000 0.255 288 G HA3 0.050 4.002 3.960 -0.013 0.000 0.255 288 G C -0.074 174.753 174.900 -0.122 0.000 0.880 288 G CA -0.228 44.304 45.100 -0.947 0.000 1.956 288 G HN 0.203 nan 8.290 nan 0.000 0.634 289 K N 0.420 120.814 120.400 -0.011 0.000 2.110 289 K HA 0.203 4.516 4.320 -0.013 0.000 0.263 289 K C 0.910 177.647 176.600 0.229 0.000 0.975 289 K CA -0.691 55.673 56.287 0.129 0.000 0.895 289 K CB 2.305 34.875 32.500 0.117 0.000 1.060 289 K HN 0.401 nan 8.250 nan 0.000 0.448 290 E N 1.604 121.905 120.200 0.168 0.000 2.085 290 E HA -0.210 4.132 4.350 -0.013 0.000 0.194 290 E C 1.536 178.165 176.600 0.048 0.000 0.994 290 E CA 1.058 57.508 56.400 0.084 0.000 0.801 290 E CB 0.172 29.924 29.700 0.087 0.000 0.743 290 E HN 0.401 nan 8.360 nan 0.000 0.453 291 L N 1.380 122.676 121.223 0.121 0.000 2.079 291 L HA -0.185 4.148 4.340 -0.013 0.000 0.210 291 L C 2.482 179.457 176.870 0.174 0.000 1.081 291 L CA 1.820 56.752 54.840 0.152 0.000 0.752 291 L CB -0.523 41.689 42.059 0.254 0.000 0.896 291 L HN 0.016 nan 8.230 nan 0.000 0.433 292 R N -0.640 119.918 120.500 0.097 0.000 2.081 292 R HA -0.163 4.170 4.340 -0.013 0.000 0.235 292 R C 2.103 178.454 176.300 0.085 0.000 1.131 292 R CA 1.862 57.947 56.100 -0.026 0.000 0.960 292 R CB -0.992 29.067 30.300 -0.401 0.000 0.856 292 R HN 0.413 nan 8.270 nan 0.000 0.436 293 L N 0.887 122.070 121.223 -0.068 0.000 2.046 293 L HA -0.066 4.267 4.340 -0.013 0.000 0.208 293 L C 1.708 178.528 176.870 -0.082 0.000 1.077 293 L CA 1.904 56.507 54.840 -0.396 0.000 0.747 293 L CB -0.443 41.056 42.059 -0.935 0.000 0.896 293 L HN 0.153 nan 8.230 nan 0.000 0.432 294 K N -0.937 119.459 120.400 -0.007 0.000 2.063 294 K HA -0.215 4.098 4.320 -0.013 0.000 0.208 294 K C 2.093 178.863 176.600 0.284 0.000 1.048 294 K CA 1.871 58.228 56.287 0.116 0.000 0.928 294 K CB -0.199 32.184 32.500 -0.195 0.000 0.713 294 K HN 0.521 nan 8.250 nan 0.000 0.442 295 Q N 0.599 120.532 119.800 0.221 0.000 2.050 295 Q HA -0.188 4.144 4.340 -0.013 0.000 0.202 295 Q C 1.979 178.183 176.000 0.340 0.000 0.980 295 Q CA 1.451 57.441 55.803 0.311 0.000 0.840 295 Q CB -0.028 28.913 28.738 0.339 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.424 296 E N -0.213 120.141 120.200 0.257 0.000 2.077 296 E HA -0.212 4.130 4.350 -0.013 0.000 0.193 296 E C 1.731 178.450 176.600 0.199 0.000 0.989 296 E CA 1.042 57.576 56.400 0.223 0.000 0.800 296 E CB -0.124 29.688 29.700 0.187 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.354 120.704 120.300 0.083 0.000 2.220 297 Y HA -0.195 4.347 4.550 -0.013 0.000 0.291 297 Y C 1.968 177.900 175.900 0.054 0.000 1.129 297 Y CA 0.988 59.089 58.100 0.001 0.000 1.161 297 Y CB -0.395 38.028 38.460 -0.062 0.000 0.997 297 Y HN 0.008 nan 8.280 nan 0.000 0.522 298 F N -0.199 119.749 119.950 -0.003 0.000 2.065 298 F HA -0.271 4.249 4.527 -0.013 0.000 0.298 298 F C 2.512 178.169 175.800 -0.238 0.000 1.112 298 F CA 2.074 60.022 58.000 -0.085 0.000 1.212 298 F CB -1.091 38.013 39.000 0.174 0.000 0.975 298 F HN -0.039 nan 8.300 nan 0.000 0.476 299 V N -0.506 119.361 119.914 -0.078 0.000 2.358 299 V HA -0.205 3.908 4.120 -0.013 0.000 0.246 299 V C 2.191 178.136 176.094 -0.249 0.000 1.047 299 V CA 1.992 64.220 62.300 -0.120 0.000 1.035 299 V CB -0.427 31.525 31.823 0.213 0.000 0.658 299 V HN 0.256 nan 8.190 nan 0.000 0.452 300 V N 0.448 120.224 119.914 -0.230 0.000 2.307 300 V HA -0.169 3.943 4.120 -0.013 0.000 0.245 300 V C 2.825 178.669 176.094 -0.416 0.000 1.045 300 V CA 2.168 64.322 62.300 -0.243 0.000 1.024 300 V CB -1.063 30.678 31.823 -0.137 0.000 0.651 300 V HN 0.653 nan 8.190 nan 0.000 0.449 301 A N -0.215 122.190 122.820 -0.692 0.000 1.873 301 A HA -0.082 4.230 4.320 -0.013 0.000 0.215 301 A C 2.400 179.615 177.584 -0.615 0.000 1.186 301 A CA 2.045 53.666 52.037 -0.693 0.000 0.616 301 A CB -0.803 17.564 19.000 -1.053 0.000 0.823 301 A HN 0.558 nan 8.150 nan 0.000 0.442 302 A N -1.000 121.292 122.820 -0.881 0.000 1.873 302 A HA -0.068 4.244 4.320 -0.013 0.000 0.215 302 A C 2.317 179.416 177.584 -0.809 0.000 1.186 302 A CA 2.293 53.623 52.037 -1.178 0.000 0.616 302 A CB -1.305 16.309 19.000 -2.309 0.000 0.823 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.502 114.717 114.554 -0.565 0.000 2.674 303 T HA -0.114 4.228 4.350 -0.013 0.000 0.265 303 T C 1.835 176.272 174.700 -0.439 0.000 1.039 303 T CA 1.514 63.389 62.100 -0.375 0.000 1.150 303 T CB -0.409 68.235 68.868 -0.372 0.000 0.864 303 T HN 0.338 nan 8.240 nan 0.000 0.427 304 L N 0.681 121.692 121.223 -0.354 0.000 2.083 304 L HA -0.163 4.170 4.340 -0.013 0.000 0.209 304 L C 2.946 179.699 176.870 -0.194 0.000 1.083 304 L CA 1.380 56.063 54.840 -0.262 0.000 0.752 304 L CB -0.516 41.430 42.059 -0.188 0.000 0.899 304 L HN 0.359 nan 8.230 nan 0.000 0.433 305 Q N -0.540 119.143 119.800 -0.195 0.000 2.096 305 Q HA -0.259 4.074 4.340 -0.013 0.000 0.204 305 Q C 1.784 177.745 176.000 -0.064 0.000 0.982 305 Q CA 1.801 57.537 55.803 -0.112 0.000 0.850 305 Q CB -0.099 28.559 28.738 -0.133 0.000 0.901 305 Q HN 0.412 nan 8.270 nan 0.000 0.422 306 D N 0.419 120.771 120.400 -0.079 0.000 2.117 306 D HA -0.100 4.533 4.640 -0.013 0.000 0.198 306 D C 1.690 177.925 176.300 -0.108 0.000 0.982 306 D CA 0.846 54.843 54.000 -0.005 0.000 0.828 306 D CB -0.047 40.853 40.800 0.166 0.000 0.967 306 D HN 0.160 nan 8.370 nan 0.000 0.464 307 I N 0.148 120.542 120.570 -0.294 0.000 2.163 307 I HA -0.258 3.905 4.170 -0.013 0.000 0.243 307 I C 2.304 178.422 176.117 0.002 0.000 1.085 307 I CA 0.813 61.882 61.300 -0.385 0.000 1.347 307 I CB -0.149 37.483 38.000 -0.613 0.000 1.044 307 I HN 0.047 nan 8.210 nan 0.000 0.408 308 I N 0.073 120.700 120.570 0.095 0.000 2.202 308 I HA -0.274 3.888 4.170 -0.013 0.000 0.242 308 I C 2.785 179.061 176.117 0.265 0.000 1.091 308 I CA 1.078 62.552 61.300 0.290 0.000 1.368 308 I CB -0.413 37.708 38.000 0.202 0.000 1.058 308 I HN 0.169 nan 8.210 nan 0.000 0.410 309 R N 1.166 121.747 120.500 0.135 0.000 2.094 309 R HA -0.249 4.084 4.340 -0.013 0.000 0.239 309 R C 2.496 178.856 176.300 0.101 0.000 1.137 309 R CA 1.944 58.105 56.100 0.101 0.000 0.943 309 R CB -0.292 30.040 30.300 0.054 0.000 0.850 309 R HN 0.222 nan 8.270 nan 0.000 0.433 310 R N -0.671 119.885 120.500 0.092 0.000 2.115 310 R HA -0.156 4.176 4.340 -0.013 0.000 0.230 310 R C 2.178 178.569 176.300 0.151 0.000 1.111 310 R CA 1.562 57.721 56.100 0.098 0.000 0.976 310 R CB -0.321 30.023 30.300 0.073 0.000 0.870 310 R HN 0.289 nan 8.270 nan 0.000 0.445 311 F N 1.333 121.318 119.950 0.058 0.000 2.146 311 F HA -0.085 4.434 4.527 -0.013 0.000 0.298 311 F C 1.670 177.496 175.800 0.044 0.000 1.096 311 F CA 1.471 59.504 58.000 0.056 0.000 1.275 311 F CB 0.067 39.152 39.000 0.140 0.000 1.008 311 F HN -0.147 nan 8.300 nan 0.000 0.480 312 K N -0.281 120.090 120.400 -0.048 0.000 2.103 312 K HA 0.005 4.317 4.320 -0.013 0.000 0.204 312 K C 1.121 177.648 176.600 -0.121 0.000 1.052 312 K CA 1.211 57.399 56.287 -0.165 0.000 0.945 312 K CB -0.249 32.260 32.500 0.016 0.000 0.722 312 K HN 0.064 nan 8.250 nan 0.000 0.443 313 S N 1.812 117.500 115.700 -0.021 0.000 3.324 313 S HA 0.066 4.529 4.470 -0.013 0.000 0.229 313 S C -0.301 174.342 174.600 0.071 0.000 1.417 313 S CA -0.497 57.725 58.200 0.037 0.000 1.211 313 S CB -0.074 63.170 63.200 0.074 0.000 1.157 313 S HN 0.236 nan 8.310 nan 0.000 0.491 314 S N 0.016 115.691 115.700 -0.042 0.000 2.566 314 S HA 0.495 4.957 4.470 -0.013 0.000 0.298 314 S C 0.266 174.797 174.600 -0.114 0.000 1.083 314 S CA -1.021 57.137 58.200 -0.071 0.000 0.978 314 S CB 1.634 64.774 63.200 -0.100 0.000 1.073 314 S HN 0.231 nan 8.310 nan 0.000 0.491 315 K N -0.018 120.268 120.400 -0.189 0.000 2.574 315 K HA 0.053 4.366 4.320 -0.013 0.000 0.193 315 K C 0.537 177.100 176.600 -0.061 0.000 1.035 315 K CA 0.549 56.731 56.287 -0.175 0.000 0.982 315 K CB -0.190 32.148 32.500 -0.270 0.000 0.795 315 K HN 0.670 nan 8.250 nan 0.000 0.491 316 F N -0.670 119.169 119.950 -0.186 0.000 2.258 316 F HA 0.260 4.779 4.527 -0.013 0.000 0.262 316 F C 1.201 176.900 175.800 -0.169 0.000 1.124 316 F CA 0.876 58.782 58.000 -0.157 0.000 1.069 316 F CB -0.282 38.629 39.000 -0.148 0.000 1.081 316 F HN -0.107 nan 8.300 nan 0.000 0.555 325 N N 0.792 119.469 118.700 -0.039 0.000 2.500 325 N HA 0.303 5.035 4.740 -0.013 0.000 0.236 325 N C -0.627 174.962 175.510 0.131 0.000 1.022 325 N CA -0.161 52.940 53.050 0.085 0.000 0.935 325 N CB 0.380 38.927 38.487 0.100 0.000 1.147 325 N HN 0.130 nan 8.380 nan 0.000 0.512 326 F N 1.446 121.526 119.950 0.217 0.000 2.811 326 F HA 0.091 4.611 4.527 -0.013 0.000 0.301 326 F C 1.825 177.703 175.800 0.131 0.000 1.151 326 F CA -0.076 58.018 58.000 0.157 0.000 1.412 326 F CB 0.276 39.244 39.000 -0.054 0.000 1.113 326 F HN 0.466 nan 8.300 nan 0.000 0.579 327 D N 0.424 120.983 120.400 0.265 0.000 2.178 327 D HA -0.153 4.480 4.640 -0.013 0.000 0.201 327 D C 2.197 178.609 176.300 0.187 0.000 0.980 327 D CA 1.357 55.471 54.000 0.189 0.000 0.842 327 D CB -0.006 40.886 40.800 0.154 0.000 0.948 327 D HN 0.319 nan 8.370 nan 0.000 0.472 328 A N -0.180 122.792 122.820 0.252 0.000 2.251 328 A HA 0.042 4.355 4.320 -0.013 0.000 0.209 328 A C 1.703 179.377 177.584 0.151 0.000 1.187 328 A CA -0.262 51.902 52.037 0.212 0.000 0.823 328 A CB -0.625 18.575 19.000 0.333 0.000 0.846 328 A HN 0.124 nan 8.150 nan 0.000 0.486 329 F N 1.902 121.809 119.950 -0.071 0.000 2.065 329 F HA -0.152 4.367 4.527 -0.012 0.000 0.298 329 F C -0.769 174.895 175.800 -0.227 0.000 1.112 329 F CA 2.594 60.338 58.000 -0.427 0.000 1.212 329 F CB -0.551 38.203 39.000 -0.409 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.086 nan 4.420 nan 0.000 0.226 330 P C 0.653 177.872 177.300 -0.135 0.000 1.153 330 P CA 1.362 64.403 63.100 -0.098 0.000 0.777 330 P CB -0.066 31.613 31.700 -0.035 0.000 0.794 331 D N -0.798 119.527 120.400 -0.125 0.000 2.323 331 D HA -0.024 4.608 4.640 -0.013 0.000 0.209 331 D C 1.514 177.697 176.300 -0.195 0.000 0.973 331 D CA 0.887 54.803 54.000 -0.140 0.000 0.874 331 D CB 0.126 40.844 40.800 -0.136 0.000 0.930 331 D HN 0.148 nan 8.370 nan 0.000 0.521 332 K N 0.017 120.278 120.400 -0.232 0.000 2.380 332 K HA 0.208 4.520 4.320 -0.013 0.000 0.198 332 K C -0.094 176.363 176.600 -0.239 0.000 1.070 332 K CA 0.093 56.251 56.287 -0.214 0.000 1.040 332 K CB 2.384 34.827 32.500 -0.095 0.000 0.903 332 K HN -0.066 nan 8.250 nan 0.000 0.549 333 V N 1.059 120.759 119.914 -0.357 0.000 2.623 333 V HA 0.591 4.703 4.120 -0.013 0.000 0.304 333 V C -1.054 174.918 176.094 -0.202 0.000 1.054 333 V CA -1.265 60.834 62.300 -0.335 0.000 0.882 333 V CB 1.797 33.142 31.823 -0.797 0.000 1.002 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.696 128.451 122.820 -0.109 0.000 2.343 334 A HA 0.936 5.248 4.320 -0.013 0.000 0.316 334 A C -0.944 176.647 177.584 0.011 0.000 1.104 334 A CA -0.504 51.506 52.037 -0.046 0.000 0.768 334 A CB 1.005 19.929 19.000 -0.127 0.000 1.213 334 A HN 0.776 nan 8.150 nan 0.000 0.456 335 I N 1.796 122.419 120.570 0.089 0.000 2.382 335 I HA 0.301 4.463 4.170 -0.013 0.000 0.286 335 I C -0.342 175.858 176.117 0.139 0.000 1.002 335 I CA -0.533 60.835 61.300 0.114 0.000 1.135 335 I CB 1.939 39.991 38.000 0.086 0.000 1.288 335 I HN 0.689 nan 8.210 nan 0.000 0.448 336 Q N 6.850 126.728 119.800 0.131 0.000 2.314 336 Q HA 0.504 4.837 4.340 -0.013 0.000 0.259 336 Q C -1.326 174.667 176.000 -0.012 0.000 0.951 336 Q CA -0.275 55.630 55.803 0.171 0.000 0.909 336 Q CB 1.291 30.236 28.738 0.345 0.000 1.236 336 Q HN 0.569 nan 8.270 nan 0.000 0.444 337 L N 3.733 124.989 121.223 0.056 0.000 2.261 337 L HA 0.395 4.727 4.340 -0.013 0.000 0.289 337 L C 0.069 176.959 176.870 0.033 0.000 1.059 337 L CA -0.733 54.132 54.840 0.041 0.000 0.816 337 L CB 0.588 42.721 42.059 0.123 0.000 1.191 337 L HN 0.561 nan 8.230 nan 0.000 0.431 338 N N 4.313 122.953 118.700 -0.100 0.000 2.448 338 N HA 0.064 4.797 4.740 -0.013 0.000 0.250 338 N C -0.169 175.350 175.510 0.015 0.000 1.136 338 N CA 0.489 53.526 53.050 -0.021 0.000 0.953 338 N CB -0.041 38.355 38.487 -0.151 0.000 1.251 338 N HN 0.612 nan 8.380 nan 0.000 0.502 339 D N 0.007 120.512 120.400 0.175 0.000 4.658 339 D HA -0.223 4.410 4.640 -0.013 0.000 0.304 339 D C 0.327 176.709 176.300 0.138 0.000 2.363 339 D CA 1.517 55.593 54.000 0.127 0.000 1.179 339 D CB -0.473 40.118 40.800 -0.348 0.000 1.091 339 D HN 0.522 nan 8.370 nan 0.000 1.274 340 T N -2.386 112.199 114.554 0.051 0.000 3.129 340 T HA 0.073 4.416 4.350 -0.013 0.000 0.251 340 T C 1.630 176.402 174.700 0.120 0.000 1.117 340 T CA 1.532 63.646 62.100 0.024 0.000 1.034 340 T CB -0.512 68.338 68.868 -0.029 0.000 0.968 340 T HN 0.510 nan 8.240 nan 0.000 0.526 341 H N 2.612 121.768 119.070 0.142 0.000 2.352 341 H HA -0.005 4.544 4.556 -0.013 0.000 0.299 341 H C -0.870 174.547 175.328 0.148 0.000 1.097 341 H CA 0.949 57.096 56.048 0.165 0.000 1.311 341 H CB -0.956 28.906 29.762 0.167 0.000 1.377 341 H HN 0.434 nan 8.280 nan 0.000 0.504 342 P HA 0.076 nan 4.420 nan 0.000 0.254 342 P C 0.675 178.020 177.300 0.074 0.000 1.620 342 P CA 0.330 63.511 63.100 0.134 0.000 1.050 342 P CB 0.255 32.021 31.700 0.111 0.000 1.539 343 S N -0.345 115.392 115.700 0.061 0.000 2.442 343 S HA -0.120 4.342 4.470 -0.013 0.000 0.236 343 S C 1.738 176.339 174.600 0.002 0.000 1.007 343 S CA 0.746 58.941 58.200 -0.007 0.000 0.965 343 S CB -1.432 61.738 63.200 -0.050 0.000 0.773 343 S HN 0.157 nan 8.310 nan 0.000 0.504 344 L N 1.046 122.285 121.223 0.027 0.000 2.456 344 L HA 0.022 4.354 4.340 -0.013 0.000 0.224 344 L C 2.942 179.843 176.870 0.052 0.000 1.148 344 L CA 0.604 55.460 54.840 0.026 0.000 0.825 344 L CB -0.792 41.279 42.059 0.020 0.000 0.937 344 L HN 0.462 nan 8.230 nan 0.000 0.450 345 A N 0.713 123.547 122.820 0.024 0.000 1.948 345 A HA -0.229 4.084 4.320 -0.013 0.000 0.220 345 A C 2.182 179.766 177.584 -0.001 0.000 1.177 345 A CA 1.711 53.748 52.037 0.001 0.000 0.636 345 A CB -0.521 18.473 19.000 -0.011 0.000 0.815 345 A HN 0.383 nan 8.150 nan 0.000 0.449 346 I N 0.184 120.755 120.570 0.000 0.000 2.113 346 I HA -0.145 4.017 4.170 -0.013 0.000 0.238 346 I C -0.373 175.763 176.117 0.031 0.000 1.070 346 I CA 1.591 62.889 61.300 -0.003 0.000 1.332 346 I CB -1.010 36.988 38.000 -0.002 0.000 1.044 346 I HN 0.249 nan 8.210 nan 0.000 0.402 347 P HA -0.154 nan 4.420 nan 0.000 0.223 347 P C 1.258 178.590 177.300 0.054 0.000 1.151 347 P CA 1.408 64.547 63.100 0.065 0.000 0.787 347 P CB 0.043 31.800 31.700 0.097 0.000 0.788 348 E N 0.282 120.576 120.200 0.156 0.000 2.072 348 E HA -0.150 4.192 4.350 -0.013 0.000 0.191 348 E C 1.917 178.508 176.600 -0.015 0.000 0.985 348 E CA 0.669 57.173 56.400 0.174 0.000 0.801 348 E CB -1.208 28.644 29.700 0.252 0.000 0.750 348 E HN -0.019 nan 8.360 nan 0.000 0.452 349 L N 0.047 121.231 121.223 -0.065 0.000 2.012 349 L HA -0.138 4.195 4.340 -0.013 0.000 0.210 349 L C 2.110 178.845 176.870 -0.224 0.000 1.073 349 L CA 1.836 56.580 54.840 -0.160 0.000 0.748 349 L CB -0.618 41.349 42.059 -0.153 0.000 0.891 349 L HN 0.249 nan 8.230 nan 0.000 0.431 350 M N -0.814 118.668 119.600 -0.197 0.000 2.080 350 M HA -0.237 4.236 4.480 -0.013 0.000 0.260 350 M C 2.432 178.574 176.300 -0.263 0.000 1.068 350 M CA 1.631 56.762 55.300 -0.281 0.000 1.109 350 M CB -1.285 31.129 32.600 -0.309 0.000 1.342 350 M HN 0.338 nan 8.290 nan 0.000 0.405 351 R N 0.066 120.436 120.500 -0.215 0.000 2.080 351 R HA -0.147 4.185 4.340 -0.013 0.000 0.236 351 R C 2.086 178.284 176.300 -0.170 0.000 1.137 351 R CA 1.875 57.848 56.100 -0.212 0.000 0.943 351 R CB -0.238 29.882 30.300 -0.299 0.000 0.846 351 R HN 0.223 nan 8.270 nan 0.000 0.431 352 V N 1.452 121.266 119.914 -0.168 0.000 2.295 352 V HA -0.257 3.855 4.120 -0.013 0.000 0.246 352 V C 2.433 178.368 176.094 -0.265 0.000 1.049 352 V CA 1.777 63.971 62.300 -0.177 0.000 1.024 352 V CB -0.436 31.282 31.823 -0.174 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.577 120.427 121.223 -0.364 0.000 2.046 353 L HA -0.135 4.197 4.340 -0.013 0.000 0.208 353 L C 2.401 179.091 176.870 -0.301 0.000 1.077 353 L CA 1.170 55.730 54.840 -0.467 0.000 0.747 353 L CB -0.618 41.125 42.059 -0.527 0.000 0.896 353 L HN 0.213 nan 8.230 nan 0.000 0.432 354 V N -0.622 119.159 119.914 -0.222 0.000 2.331 354 V HA -0.172 3.940 4.120 -0.013 0.000 0.242 354 V C 1.922 177.975 176.094 -0.068 0.000 1.034 354 V CA 1.643 63.874 62.300 -0.114 0.000 1.027 354 V CB -0.324 31.465 31.823 -0.057 0.000 0.667 354 V HN 0.342 nan 8.190 nan 0.000 0.457 355 D N -0.132 120.221 120.400 -0.078 0.000 2.194 355 D HA 0.019 4.652 4.640 -0.013 0.000 0.204 355 D C 1.978 178.251 176.300 -0.045 0.000 0.964 355 D CA 1.100 55.072 54.000 -0.047 0.000 0.846 355 D CB 0.148 40.918 40.800 -0.051 0.000 0.962 355 D HN 0.335 nan 8.370 nan 0.000 0.490 356 L N 0.018 121.199 121.223 -0.070 0.000 2.445 356 L HA 0.151 4.483 4.340 -0.013 0.000 0.207 356 L C 1.780 178.622 176.870 -0.048 0.000 1.053 356 L CA 0.396 55.207 54.840 -0.050 0.000 0.841 356 L CB 0.144 42.174 42.059 -0.048 0.000 1.074 356 L HN -0.206 nan 8.230 nan 0.000 0.479 357 E N 0.460 120.598 120.200 -0.105 0.000 2.447 357 E HA 0.053 4.395 4.350 -0.013 0.000 0.195 357 E C 0.091 176.657 176.600 -0.056 0.000 1.028 357 E CA -0.035 56.310 56.400 -0.091 0.000 0.876 357 E CB 0.386 29.916 29.700 -0.284 0.000 0.885 357 E HN 0.195 nan 8.360 nan 0.000 0.500 358 R N -0.211 120.252 120.500 -0.063 0.000 3.656 358 R HA -0.183 4.150 4.340 -0.013 0.000 0.297 358 R C -0.382 175.907 176.300 -0.019 0.000 1.166 358 R CA 0.237 56.323 56.100 -0.023 0.000 0.799 358 R CB -2.842 27.462 30.300 0.007 0.000 1.285 358 R HN 0.075 nan 8.270 nan 0.000 0.477 359 L N 2.383 123.566 121.223 -0.066 0.000 2.417 359 L HA 0.139 4.471 4.340 -0.013 0.000 0.268 359 L C 1.453 178.319 176.870 -0.007 0.000 1.158 359 L CA 0.248 55.059 54.840 -0.048 0.000 0.819 359 L CB 0.418 42.401 42.059 -0.127 0.000 1.112 359 L HN 0.132 nan 8.230 nan 0.000 0.458 360 D N 1.173 121.594 120.400 0.035 0.000 2.368 360 D HA -0.149 4.483 4.640 -0.013 0.000 0.240 360 D C 0.921 177.292 176.300 0.120 0.000 1.169 360 D CA -0.492 53.563 54.000 0.091 0.000 0.906 360 D CB 0.734 41.593 40.800 0.097 0.000 1.187 360 D HN 0.610 nan 8.370 nan 0.000 0.435 361 W N 1.854 123.159 121.300 0.008 0.000 2.315 361 W HA -0.232 4.420 4.660 -0.013 0.000 0.323 361 W C 1.129 177.694 176.519 0.077 0.000 1.233 361 W CA 1.928 59.285 57.345 0.019 0.000 1.267 361 W CB -0.317 29.134 29.460 -0.015 0.000 1.160 361 W HN 0.448 nan 8.180 nan 0.000 0.474 362 D N 0.331 120.934 120.400 0.339 0.000 2.123 362 D HA -0.215 4.417 4.640 -0.013 0.000 0.196 362 D C 1.870 178.276 176.300 0.176 0.000 0.992 362 D CA 2.026 56.195 54.000 0.283 0.000 0.833 362 D CB -0.411 40.524 40.800 0.225 0.000 0.954 362 D HN 0.093 nan 8.370 nan 0.000 0.455 363 K N 1.133 121.594 120.400 0.102 0.000 2.031 363 K HA 0.040 4.352 4.320 -0.013 0.000 0.205 363 K C 1.865 178.457 176.600 -0.012 0.000 1.049 363 K CA 1.419 57.738 56.287 0.054 0.000 0.939 363 K CB -0.594 31.934 32.500 0.048 0.000 0.717 363 K HN -0.012 nan 8.250 nan 0.000 0.438 364 A N 0.771 123.541 122.820 -0.083 0.000 1.917 364 A HA -0.207 4.106 4.320 -0.013 0.000 0.219 364 A C 2.264 179.752 177.584 -0.161 0.000 1.182 364 A CA 1.626 53.544 52.037 -0.197 0.000 0.633 364 A CB -1.251 17.567 19.000 -0.305 0.000 0.819 364 A HN 0.707 nan 8.150 nan 0.000 0.448 365 W N 0.553 121.645 121.300 -0.346 0.000 2.381 365 W HA -0.162 4.490 4.660 -0.012 0.000 0.301 365 W C 2.014 178.472 176.519 -0.102 0.000 1.205 365 W CA 1.789 58.976 57.345 -0.264 0.000 1.285 365 W CB -0.158 29.175 29.460 -0.212 0.000 1.133 365 W HN 0.618 nan 8.180 nan 0.000 0.521 366 E N 0.143 120.330 120.200 -0.023 0.000 2.058 366 E HA -0.237 4.106 4.350 -0.013 0.000 0.194 366 E C 2.040 178.560 176.600 -0.133 0.000 0.997 366 E CA 2.040 58.393 56.400 -0.078 0.000 0.801 366 E CB -0.321 29.394 29.700 0.024 0.000 0.746 366 E HN 0.059 nan 8.360 nan 0.000 0.450 367 V N 0.696 120.548 119.914 -0.103 0.000 2.295 367 V HA -0.265 3.847 4.120 -0.013 0.000 0.246 367 V C 2.411 178.437 176.094 -0.113 0.000 1.049 367 V CA 2.207 64.465 62.300 -0.071 0.000 1.024 367 V CB -0.799 30.980 31.823 -0.074 0.000 0.648 367 V HN 0.390 nan 8.190 nan 0.000 0.447 368 T N 0.041 114.457 114.554 -0.230 0.000 2.652 368 T HA -0.190 4.152 4.350 -0.013 0.000 0.267 368 T C 1.943 176.456 174.700 -0.311 0.000 1.039 368 T CA 1.821 63.757 62.100 -0.273 0.000 1.153 368 T CB -0.319 68.331 68.868 -0.363 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.428 369 V N 1.428 121.039 119.914 -0.504 0.000 2.343 369 V HA -0.172 3.940 4.120 -0.013 0.000 0.247 369 V C 2.364 178.397 176.094 -0.100 0.000 1.051 369 V CA 1.636 63.694 62.300 -0.404 0.000 1.036 369 V CB -0.489 31.014 31.823 -0.533 0.000 0.654 369 V HN 0.473 nan 8.190 nan 0.000 0.451 370 K N -0.513 119.815 120.400 -0.121 0.000 2.362 370 K HA -0.086 4.226 4.320 -0.013 0.000 0.200 370 K C 2.052 178.600 176.600 -0.086 0.000 1.046 370 K CA 1.499 57.698 56.287 -0.147 0.000 0.952 370 K CB -0.181 32.236 32.500 -0.137 0.000 0.753 370 K HN 0.483 nan 8.250 nan 0.000 0.466 371 T N 0.148 114.713 114.554 0.019 0.000 2.976 371 T HA 0.024 4.367 4.350 -0.013 0.000 0.257 371 T C 0.911 175.703 174.700 0.154 0.000 1.051 371 T CA 0.369 62.515 62.100 0.076 0.000 1.141 371 T CB 0.127 69.073 68.868 0.131 0.000 0.881 371 T HN 0.159 nan 8.240 nan 0.000 0.461 372 C N 2.435 121.814 119.300 0.132 0.000 2.401 372 C HA 0.883 5.335 4.460 -0.013 0.000 0.365 372 C C 0.594 175.644 174.990 0.100 0.000 1.250 372 C CA -1.209 57.871 59.018 0.103 0.000 2.131 372 C CB 0.046 27.787 27.740 0.001 0.000 2.445 372 C HN 0.598 nan 8.230 nan 0.000 0.550 373 A N 2.221 125.095 122.820 0.089 0.000 2.475 373 A HA 0.786 5.098 4.320 -0.013 0.000 0.301 373 A C -1.576 176.080 177.584 0.119 0.000 1.059 373 A CA -0.432 51.607 52.037 0.003 0.000 0.710 373 A CB 1.105 20.110 19.000 0.007 0.000 1.288 373 A HN 0.950 nan 8.150 nan 0.000 0.408 374 Y N 1.000 121.249 120.300 -0.086 0.000 2.361 374 Y HA 0.618 5.160 4.550 -0.012 0.000 0.337 374 Y C -0.592 175.287 175.900 -0.035 0.000 0.965 374 Y CA -0.314 57.746 58.100 -0.067 0.000 1.091 374 Y CB 2.049 40.426 38.460 -0.139 0.000 1.182 374 Y HN 0.571 nan 8.280 nan 0.000 0.450 375 T N 6.578 120.910 114.554 -0.368 0.000 2.758 375 T HA 0.182 4.524 4.350 -0.013 0.000 0.285 375 T C -0.684 173.569 174.700 -0.745 0.000 0.981 375 T CA -0.751 61.076 62.100 -0.455 0.000 0.965 375 T CB 0.386 69.219 68.868 -0.058 0.000 0.927 375 T HN 0.647 nan 8.240 nan 0.000 0.448 376 N N 1.771 120.024 118.700 -0.745 0.000 2.498 376 N HA 0.121 4.853 4.740 -0.013 0.000 0.287 376 N C 0.091 175.506 175.510 -0.157 0.000 1.097 376 N CA -0.288 52.574 53.050 -0.312 0.000 0.973 376 N CB 0.773 39.239 38.487 -0.035 0.000 1.153 376 N HN 0.655 nan 8.380 nan 0.000 0.472 377 H N 0.888 119.994 119.070 0.059 0.000 2.893 377 H HA 0.164 4.713 4.556 -0.013 0.000 0.270 377 H C -0.201 175.052 175.328 -0.124 0.000 1.095 377 H CA 0.095 56.127 56.048 -0.027 0.000 1.186 377 H CB 1.158 30.909 29.762 -0.019 0.000 1.562 377 H HN 0.548 nan 8.280 nan 0.000 0.536 378 T N 0.018 114.606 114.554 0.057 0.000 2.893 378 T HA 0.203 4.545 4.350 -0.013 0.000 0.337 378 T C 0.407 175.142 174.700 0.059 0.000 1.587 378 T CA -0.288 61.793 62.100 -0.032 0.000 1.066 378 T CB 1.143 69.980 68.868 -0.052 0.000 1.414 378 T HN -0.058 nan 8.240 nan 0.000 0.488 379 V N 1.667 121.577 119.914 -0.007 0.000 3.643 379 V HA 0.553 4.665 4.120 -0.013 0.000 0.280 379 V C 0.734 176.794 176.094 -0.057 0.000 1.351 379 V CA 0.035 62.316 62.300 -0.031 0.000 1.073 379 V CB -0.475 31.329 31.823 -0.033 0.000 0.863 379 V HN 0.701 nan 8.190 nan 0.000 0.436 380 L N 3.048 124.227 121.223 -0.073 0.000 2.534 380 L HA 0.203 4.536 4.340 -0.013 0.000 0.271 380 L C -0.598 176.273 176.870 0.001 0.000 1.178 380 L CA -0.964 53.854 54.840 -0.037 0.000 0.907 380 L CB 0.649 42.667 42.059 -0.069 0.000 1.164 380 L HN 0.137 nan 8.230 nan 0.000 0.482 381 P HA -0.197 nan 4.420 nan 0.000 0.218 381 P C 0.965 178.276 177.300 0.019 0.000 1.149 381 P CA 1.157 64.261 63.100 0.005 0.000 0.817 381 P CB 0.061 31.767 31.700 0.010 0.000 0.785 382 E N 0.397 120.641 120.200 0.073 0.000 2.409 382 E HA -0.063 4.279 4.350 -0.013 0.000 0.198 382 E C 1.611 178.233 176.600 0.035 0.000 1.024 382 E CA 1.086 57.542 56.400 0.094 0.000 0.861 382 E CB -0.750 29.110 29.700 0.266 0.000 0.788 382 E HN 0.200 nan 8.360 nan 0.000 0.521 383 A N 1.262 124.117 122.820 0.058 0.000 2.195 383 A HA 0.226 4.538 4.320 -0.013 0.000 0.210 383 A C 1.352 178.935 177.584 -0.001 0.000 1.165 383 A CA -0.291 51.785 52.037 0.066 0.000 0.806 383 A CB -0.066 18.991 19.000 0.095 0.000 0.847 383 A HN 0.145 nan 8.150 nan 0.000 0.482 384 L N 1.570 122.750 121.223 -0.072 0.000 2.410 384 L HA 0.120 4.452 4.340 -0.013 0.000 0.273 384 L C -0.101 176.456 176.870 -0.522 0.000 1.152 384 L CA -0.108 54.626 54.840 -0.176 0.000 0.855 384 L CB 0.569 42.551 42.059 -0.128 0.000 1.129 384 L HN 0.345 nan 8.230 nan 0.000 0.463 385 E N 4.418 124.218 120.200 -0.667 0.000 2.129 385 E HA 0.206 4.548 4.350 -0.013 0.000 0.283 385 E C -0.578 175.373 176.600 -1.082 0.000 1.080 385 E CA -0.166 55.389 56.400 -1.408 0.000 0.867 385 E CB 0.686 29.915 29.700 -0.784 0.000 1.056 385 E HN 0.391 nan 8.360 nan 0.000 0.404 386 R N 3.628 123.326 120.500 -1.337 0.000 2.415 386 R HA 0.198 4.530 4.340 -0.013 0.000 0.292 386 R C -1.230 174.875 176.300 -0.324 0.000 1.295 386 R CA -0.526 55.246 56.100 -0.547 0.000 1.137 386 R CB 0.799 30.921 30.300 -0.298 0.000 1.135 386 R HN 0.445 nan 8.270 nan 0.000 0.560 387 W N 4.529 125.760 121.300 -0.114 0.000 2.311 387 W HA 0.265 4.918 4.660 -0.013 0.000 0.310 387 W C -1.870 174.622 176.519 -0.046 0.000 1.274 387 W CA -2.174 55.177 57.345 0.010 0.000 1.215 387 W CB 0.797 30.239 29.460 -0.030 0.000 1.227 387 W HN 0.252 nan 8.180 nan 0.000 0.523 388 P HA -0.103 nan 4.420 nan 0.000 0.264 388 P C 0.827 178.064 177.300 -0.105 0.000 1.193 388 P CA 0.284 63.359 63.100 -0.041 0.000 0.763 388 P CB 0.698 32.210 31.700 -0.313 0.000 0.810 389 V N 3.449 123.351 119.914 -0.020 0.000 2.380 389 V HA -0.298 3.814 4.120 -0.013 0.000 0.251 389 V C 2.162 178.259 176.094 0.004 0.000 1.063 389 V CA 2.615 64.923 62.300 0.013 0.000 1.055 389 V CB -1.669 30.222 31.823 0.114 0.000 0.657 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -0.976 118.150 119.070 0.095 0.000 2.421 390 H HA -0.097 4.452 4.556 -0.013 0.000 0.298 390 H C 2.001 177.376 175.328 0.079 0.000 1.087 390 H CA 1.702 57.802 56.048 0.086 0.000 1.330 390 H CB -0.671 29.143 29.762 0.087 0.000 1.388 390 H HN 0.360 nan 8.280 nan 0.000 0.526 391 L N -0.043 121.044 121.223 -0.226 0.000 2.027 391 L HA -0.108 4.224 4.340 -0.013 0.000 0.206 391 L C 2.446 179.272 176.870 -0.074 0.000 1.074 391 L CA 1.115 55.915 54.840 -0.066 0.000 0.745 391 L CB -0.300 41.706 42.059 -0.089 0.000 0.898 391 L HN 0.309 nan 8.230 nan 0.000 0.433 392 L N -0.667 120.485 121.223 -0.119 0.000 2.093 392 L HA -0.213 4.119 4.340 -0.013 0.000 0.208 392 L C 2.521 179.330 176.870 -0.102 0.000 1.085 392 L CA 1.048 55.792 54.840 -0.161 0.000 0.755 392 L CB -0.434 41.517 42.059 -0.181 0.000 0.904 392 L HN 0.317 nan 8.230 nan 0.000 0.435 393 E N -0.274 119.910 120.200 -0.027 0.000 2.085 393 E HA -0.218 4.125 4.350 -0.013 0.000 0.194 393 E C 1.916 178.555 176.600 0.065 0.000 0.994 393 E CA 1.959 58.376 56.400 0.028 0.000 0.801 393 E CB 0.139 29.894 29.700 0.092 0.000 0.743 393 E HN 0.429 nan 8.360 nan 0.000 0.453 394 T N 0.741 115.356 114.554 0.102 0.000 2.852 394 T HA -0.077 4.266 4.350 -0.013 0.000 0.256 394 T C 1.739 176.550 174.700 0.184 0.000 1.038 394 T CA 0.727 62.938 62.100 0.185 0.000 1.141 394 T CB -0.139 68.871 68.868 0.236 0.000 0.869 394 T HN 0.071 nan 8.240 nan 0.000 0.439 395 L N 0.026 121.258 121.223 0.015 0.000 2.095 395 L HA 0.335 4.667 4.340 -0.013 0.000 0.204 395 L C 0.452 177.266 176.870 -0.094 0.000 1.080 395 L CA 1.609 56.342 54.840 -0.178 0.000 0.759 395 L CB 0.017 41.933 42.059 -0.238 0.000 0.914 395 L HN 0.177 nan 8.230 nan 0.000 0.439 396 L N 0.610 121.738 121.223 -0.158 0.000 2.625 396 L HA 0.285 4.617 4.340 -0.013 0.000 0.255 396 L C -1.713 174.973 176.870 -0.306 0.000 1.493 396 L CA -0.906 53.750 54.840 -0.307 0.000 0.796 396 L CB 0.892 42.624 42.059 -0.545 0.000 1.064 396 L HN -0.047 nan 8.230 nan 0.000 0.516 397 P HA -0.184 nan 4.420 nan 0.000 0.216 397 P C 1.456 178.561 177.300 -0.326 0.000 1.150 397 P CA 1.088 64.067 63.100 -0.200 0.000 0.837 397 P CB 0.383 32.044 31.700 -0.065 0.000 0.786 398 R N -0.183 119.932 120.500 -0.640 0.000 2.090 398 R HA -0.124 4.208 4.340 -0.013 0.000 0.228 398 R C 2.279 178.267 176.300 -0.519 0.000 1.110 398 R CA 1.591 57.324 56.100 -0.612 0.000 0.973 398 R CB -1.584 28.192 30.300 -0.874 0.000 0.869 398 R HN 0.240 nan 8.270 nan 0.000 0.440 399 H N -0.362 118.395 119.070 -0.522 0.000 2.387 399 H HA -0.043 4.506 4.556 -0.013 0.000 0.299 399 H C 1.803 176.957 175.328 -0.290 0.000 1.090 399 H CA 1.653 57.479 56.048 -0.370 0.000 1.332 399 H CB -0.106 29.399 29.762 -0.428 0.000 1.386 399 H HN 0.082 nan 8.280 nan 0.000 0.516 400 L N 0.521 121.618 121.223 -0.210 0.000 2.046 400 L HA -0.257 4.075 4.340 -0.013 0.000 0.208 400 L C 1.923 178.596 176.870 -0.329 0.000 1.077 400 L CA 1.605 56.251 54.840 -0.323 0.000 0.747 400 L CB -0.291 41.596 42.059 -0.287 0.000 0.896 400 L HN 0.453 nan 8.230 nan 0.000 0.432 401 Q N -0.330 119.389 119.800 -0.135 0.000 2.084 401 Q HA -0.239 4.093 4.340 -0.013 0.000 0.202 401 Q C 2.165 178.183 176.000 0.030 0.000 0.978 401 Q CA 1.663 57.478 55.803 0.021 0.000 0.844 401 Q CB -0.113 28.637 28.738 0.020 0.000 0.898 401 Q HN 0.552 nan 8.270 nan 0.000 0.426 402 I N 0.358 120.923 120.570 -0.008 0.000 2.252 402 I HA -0.272 3.890 4.170 -0.013 0.000 0.245 402 I C 2.128 178.320 176.117 0.126 0.000 1.102 402 I CA 1.035 62.412 61.300 0.128 0.000 1.385 402 I CB -0.131 37.897 38.000 0.047 0.000 1.064 402 I HN 0.185 nan 8.210 nan 0.000 0.414 403 I N -0.527 120.035 120.570 -0.012 0.000 2.226 403 I HA -0.319 3.843 4.170 -0.013 0.000 0.245 403 I C 2.385 178.516 176.117 0.022 0.000 1.100 403 I CA 1.403 62.683 61.300 -0.033 0.000 1.374 403 I CB -0.408 37.506 38.000 -0.144 0.000 1.057 403 I HN 0.149 nan 8.210 nan 0.000 0.413 404 Y N 0.875 121.180 120.300 0.008 0.000 2.165 404 Y HA -0.289 4.254 4.550 -0.013 0.000 0.286 404 Y C 2.621 178.488 175.900 -0.055 0.000 1.155 404 Y CA 1.627 59.718 58.100 -0.015 0.000 1.164 404 Y CB -0.811 37.633 38.460 -0.028 0.000 0.978 404 Y HN 0.201 nan 8.280 nan 0.000 0.513 405 E N 0.314 120.553 120.200 0.065 0.000 2.072 405 E HA -0.137 4.206 4.350 -0.013 0.000 0.191 405 E C 2.084 178.607 176.600 -0.129 0.000 0.985 405 E CA 1.194 57.493 56.400 -0.169 0.000 0.801 405 E CB -0.526 28.895 29.700 -0.465 0.000 0.750 405 E HN 0.474 nan 8.360 nan 0.000 0.452 406 I N 0.673 121.271 120.570 0.046 0.000 2.163 406 I HA -0.294 3.868 4.170 -0.013 0.000 0.243 406 I C 2.280 178.403 176.117 0.010 0.000 1.085 406 I CA 1.413 62.692 61.300 -0.034 0.000 1.347 406 I CB -0.406 37.576 38.000 -0.030 0.000 1.044 406 I HN 0.213 nan 8.210 nan 0.000 0.408 407 N N 0.693 119.445 118.700 0.086 0.000 2.084 407 N HA -0.271 4.461 4.740 -0.013 0.000 0.190 407 N C 1.879 177.478 175.510 0.147 0.000 1.030 407 N CA 1.579 54.729 53.050 0.166 0.000 0.849 407 N CB -0.183 38.419 38.487 0.190 0.000 1.012 407 N HN 0.320 nan 8.380 nan 0.000 0.423 408 Q N 0.139 119.972 119.800 0.055 0.000 2.030 408 Q HA -0.163 4.170 4.340 -0.013 0.000 0.204 408 Q C 1.999 177.988 176.000 -0.018 0.000 0.986 408 Q CA 1.478 57.278 55.803 -0.005 0.000 0.843 408 Q CB -0.044 28.651 28.738 -0.072 0.000 0.904 408 Q HN 0.399 nan 8.270 nan 0.000 0.420 409 R N -0.686 119.781 120.500 -0.054 0.000 2.092 409 R HA -0.126 4.207 4.340 -0.013 0.000 0.231 409 R C 2.193 178.522 176.300 0.048 0.000 1.119 409 R CA 1.333 57.400 56.100 -0.055 0.000 0.970 409 R CB -0.376 29.841 30.300 -0.138 0.000 0.864 409 R HN 0.279 nan 8.270 nan 0.000 0.440 410 F N 1.405 121.332 119.950 -0.038 0.000 2.113 410 F HA -0.094 4.426 4.527 -0.013 0.000 0.297 410 F C 1.829 177.653 175.800 0.040 0.000 1.103 410 F CA 1.334 59.358 58.000 0.039 0.000 1.248 410 F CB -0.160 38.894 39.000 0.089 0.000 0.999 410 F HN -0.116 nan 8.300 nan 0.000 0.475 411 L N -0.041 121.192 121.223 0.016 0.000 2.201 411 L HA -0.215 4.117 4.340 -0.013 0.000 0.212 411 L C 1.953 178.761 176.870 -0.103 0.000 1.105 411 L CA 1.431 56.221 54.840 -0.084 0.000 0.775 411 L CB -0.869 41.204 42.059 0.024 0.000 0.913 411 L HN 0.254 nan 8.230 nan 0.000 0.440 412 N N -0.160 118.497 118.700 -0.070 0.000 2.166 412 N HA -0.165 4.567 4.740 -0.013 0.000 0.186 412 N C 1.918 177.379 175.510 -0.082 0.000 1.019 412 N CA 0.753 53.763 53.050 -0.065 0.000 0.856 412 N CB 0.009 38.464 38.487 -0.052 0.000 0.993 412 N HN 0.269 nan 8.380 nan 0.000 0.426 413 R N 0.527 120.958 120.500 -0.114 0.000 2.075 413 R HA -0.044 4.289 4.340 -0.013 0.000 0.232 413 R C 2.160 178.366 176.300 -0.156 0.000 1.126 413 R CA 0.830 56.857 56.100 -0.123 0.000 0.963 413 R CB -0.225 30.006 30.300 -0.115 0.000 0.858 413 R HN 0.075 nan 8.270 nan 0.000 0.435 414 V N 0.799 120.565 119.914 -0.246 0.000 2.295 414 V HA -0.235 3.877 4.120 -0.013 0.000 0.246 414 V C 2.402 178.499 176.094 0.006 0.000 1.049 414 V CA 1.976 64.196 62.300 -0.133 0.000 1.024 414 V CB -0.721 30.946 31.823 -0.260 0.000 0.648 414 V HN 0.410 nan 8.190 nan 0.000 0.447 415 A N 0.040 122.834 122.820 -0.044 0.000 1.933 415 A HA -0.114 4.199 4.320 -0.013 0.000 0.218 415 A C 2.378 179.948 177.584 -0.023 0.000 1.175 415 A CA 2.113 54.141 52.037 -0.016 0.000 0.628 415 A CB -0.708 18.273 19.000 -0.032 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.444 416 A N -0.614 122.174 122.820 -0.053 0.000 1.968 416 A HA 0.305 4.617 4.320 -0.013 0.000 0.217 416 A C 2.360 179.870 177.584 -0.123 0.000 1.169 416 A CA 1.693 53.687 52.037 -0.071 0.000 0.638 416 A CB -0.646 18.314 19.000 -0.066 0.000 0.812 416 A HN 0.952 nan 8.150 nan 0.000 0.446 417 A N -1.594 121.123 122.820 -0.172 0.000 1.975 417 A HA 0.381 4.693 4.320 -0.013 0.000 0.215 417 A C 0.463 177.644 177.584 -0.673 0.000 1.170 417 A CA 0.507 52.289 52.037 -0.424 0.000 0.656 417 A CB -0.146 18.561 19.000 -0.488 0.000 0.821 417 A HN 0.419 nan 8.150 nan 0.000 0.449 418 F N 0.107 120.011 119.950 -0.076 0.000 2.622 418 F HA 0.343 4.862 4.527 -0.013 0.000 0.338 418 F C -2.782 172.983 175.800 -0.059 0.000 1.334 418 F CA -2.682 55.278 58.000 -0.066 0.000 1.179 418 F CB 0.862 39.815 39.000 -0.078 0.000 1.471 418 F HN -0.062 nan 8.300 nan 0.000 0.576 419 P HA 0.201 nan 4.420 nan 0.000 0.267 419 P C 1.003 178.324 177.300 0.035 0.000 1.205 419 P CA 0.921 64.034 63.100 0.023 0.000 0.765 419 P CB 0.959 32.653 31.700 -0.009 0.000 0.828 420 G N 2.442 111.256 108.800 0.022 0.000 2.205 420 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.261 420 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.261 420 G C 0.316 175.226 174.900 0.017 0.000 0.980 420 G CA 0.023 45.132 45.100 0.015 0.000 0.632 420 G HN 0.604 nan 8.290 nan 0.000 0.533 421 D N 1.422 121.840 120.400 0.031 0.000 2.508 421 D HA 0.379 5.011 4.640 -0.013 0.000 0.224 421 D C 2.067 178.357 176.300 -0.017 0.000 1.171 421 D CA 0.420 54.423 54.000 0.006 0.000 1.006 421 D CB 0.425 41.228 40.800 0.006 0.000 1.073 421 D HN 0.576 nan 8.370 nan 0.000 0.513 422 V N 0.708 120.614 119.914 -0.013 0.000 2.548 422 V HA -0.105 4.008 4.120 -0.013 0.000 0.249 422 V C 1.775 177.858 176.094 -0.020 0.000 1.055 422 V CA 1.319 63.611 62.300 -0.014 0.000 1.065 422 V CB -0.417 31.401 31.823 -0.007 0.000 0.681 422 V HN 0.212 nan 8.190 nan 0.000 0.462 423 D N 0.327 120.711 120.400 -0.026 0.000 2.183 423 D HA -0.132 4.500 4.640 -0.013 0.000 0.203 423 D C 2.326 178.599 176.300 -0.045 0.000 0.969 423 D CA 1.071 55.056 54.000 -0.025 0.000 0.842 423 D CB -0.164 40.622 40.800 -0.022 0.000 0.957 423 D HN 0.401 nan 8.370 nan 0.000 0.484 424 R N -0.103 120.346 120.500 -0.086 0.000 2.081 424 R HA -0.100 4.232 4.340 -0.013 0.000 0.235 424 R C 2.234 178.465 176.300 -0.115 0.000 1.131 424 R CA 0.912 56.923 56.100 -0.148 0.000 0.960 424 R CB -0.259 29.888 30.300 -0.255 0.000 0.856 424 R HN 0.254 nan 8.270 nan 0.000 0.436 425 L N 0.623 121.803 121.223 -0.072 0.000 2.012 425 L HA -0.243 4.089 4.340 -0.013 0.000 0.210 425 L C 2.756 179.631 176.870 0.009 0.000 1.073 425 L CA 2.078 56.895 54.840 -0.037 0.000 0.748 425 L CB -0.560 41.486 42.059 -0.021 0.000 0.891 425 L HN 0.330 nan 8.230 nan 0.000 0.431 426 R N 0.082 120.593 120.500 0.017 0.000 2.092 426 R HA -0.116 4.216 4.340 -0.013 0.000 0.231 426 R C 2.240 178.592 176.300 0.087 0.000 1.119 426 R CA 1.026 57.158 56.100 0.052 0.000 0.970 426 R CB -0.453 29.871 30.300 0.041 0.000 0.864 426 R HN 0.225 nan 8.270 nan 0.000 0.440 427 R N 0.209 120.743 120.500 0.057 0.000 2.115 427 R HA 0.071 4.403 4.340 -0.013 0.000 0.230 427 R C 2.058 178.455 176.300 0.163 0.000 1.111 427 R CA 1.745 57.906 56.100 0.102 0.000 0.976 427 R CB -0.152 30.169 30.300 0.034 0.000 0.870 427 R HN 0.344 nan 8.270 nan 0.000 0.445 428 M N -0.016 119.605 119.600 0.035 0.000 2.509 428 M HA 0.052 4.525 4.480 -0.013 0.000 0.250 428 M C 0.816 177.282 176.300 0.278 0.000 1.132 428 M CA -0.030 55.245 55.300 -0.043 0.000 1.080 428 M CB 0.524 32.927 32.600 -0.327 0.000 1.408 428 M HN -0.089 nan 8.290 nan 0.000 0.484 429 S N 1.156 117.023 115.700 0.279 0.000 2.558 429 S HA 0.061 4.523 4.470 -0.013 0.000 0.288 429 S C 1.156 176.007 174.600 0.418 0.000 1.318 429 S CA -0.238 58.147 58.200 0.308 0.000 1.056 429 S CB 0.554 63.878 63.200 0.206 0.000 0.853 429 S HN 0.367 nan 8.310 nan 0.000 0.505 430 L N 4.178 125.600 121.223 0.331 0.000 2.291 430 L HA 0.094 4.426 4.340 -0.013 0.000 0.214 430 L C 0.371 177.344 176.870 0.172 0.000 1.120 430 L CA 0.324 55.316 54.840 0.254 0.000 0.799 430 L CB -0.448 41.704 42.059 0.155 0.000 0.925 430 L HN 0.401 nan 8.230 nan 0.000 0.446 431 V N 1.096 121.124 119.914 0.191 0.000 2.364 431 V HA 0.140 4.252 4.120 -0.013 0.000 0.272 431 V C 0.159 176.337 176.094 0.141 0.000 1.036 431 V CA -0.506 61.896 62.300 0.169 0.000 0.880 431 V CB 1.156 33.116 31.823 0.229 0.000 0.991 431 V HN 0.187 nan 8.190 nan 0.000 0.460 432 E N 3.272 123.533 120.200 0.103 0.000 2.167 432 E HA 0.344 4.687 4.350 -0.013 0.000 0.284 432 E C -0.491 176.158 176.600 0.081 0.000 1.016 432 E CA -0.460 55.991 56.400 0.084 0.000 0.817 432 E CB 1.744 31.472 29.700 0.046 0.000 1.080 432 E HN 0.632 nan 8.360 nan 0.000 0.397 433 E N 1.338 121.583 120.200 0.076 0.000 2.318 433 E HA 0.588 4.930 4.350 -0.013 0.000 0.265 433 E C -0.026 176.609 176.600 0.058 0.000 1.069 433 E CA 0.195 56.635 56.400 0.067 0.000 0.893 433 E CB 1.328 31.062 29.700 0.057 0.000 1.076 433 E HN 0.619 nan 8.360 nan 0.000 0.414 434 G N 0.450 109.284 108.800 0.056 0.000 2.351 434 G HA2 0.316 4.269 3.960 -0.013 0.000 0.279 434 G HA3 0.316 4.269 3.960 -0.013 0.000 0.279 434 G C 0.236 175.168 174.900 0.053 0.000 1.297 434 G CA 0.081 45.211 45.100 0.050 0.000 0.886 434 G HN 0.593 nan 8.290 nan 0.000 0.493 435 A N -1.049 121.801 122.820 0.050 0.000 1.892 435 A HA 0.316 4.628 4.320 -0.013 0.000 0.218 435 A C 1.550 179.175 177.584 0.069 0.000 1.188 435 A CA 3.181 55.249 52.037 0.051 0.000 0.631 435 A CB -1.084 17.943 19.000 0.045 0.000 0.822 435 A HN 2.196 nan 8.150 nan 0.000 0.447 436 V N -2.775 117.189 119.914 0.084 0.000 2.417 436 V HA 0.496 4.609 4.120 -0.013 0.000 0.291 436 V C -0.468 175.692 176.094 0.111 0.000 1.024 436 V CA -1.415 60.958 62.300 0.121 0.000 0.861 436 V CB 1.388 33.304 31.823 0.155 0.000 0.985 436 V HN 0.253 nan 8.190 nan 0.000 0.436 437 K N 4.152 124.627 120.400 0.124 0.000 2.350 437 K HA 0.487 4.799 4.320 -0.013 0.000 0.279 437 K C -0.335 176.327 176.600 0.104 0.000 1.027 437 K CA -0.158 56.198 56.287 0.115 0.000 0.969 437 K CB 0.984 33.565 32.500 0.136 0.000 0.954 437 K HN 0.731 nan 8.250 nan 0.000 0.474 438 R N 1.822 122.372 120.500 0.084 0.000 2.795 438 R HA 0.473 4.806 4.340 -0.013 0.000 0.275 438 R C -0.515 175.816 176.300 0.052 0.000 0.981 438 R CA -1.010 55.127 56.100 0.062 0.000 0.917 438 R CB 1.355 31.674 30.300 0.031 0.000 1.202 438 R HN 0.379 nan 8.270 nan 0.000 0.469 439 I N 2.017 122.613 120.570 0.044 0.000 2.336 439 I HA 0.146 4.308 4.170 -0.013 0.000 0.292 439 I C -0.060 176.035 176.117 -0.037 0.000 0.991 439 I CA -0.686 60.627 61.300 0.021 0.000 1.227 439 I CB 1.060 39.071 38.000 0.018 0.000 1.366 439 I HN 0.497 nan 8.210 nan 0.000 0.466 440 N N 7.065 125.717 118.700 -0.080 0.000 2.402 440 N HA 0.097 4.829 4.740 -0.013 0.000 0.252 440 N C 0.756 176.168 175.510 -0.162 0.000 1.118 440 N CA -0.318 52.608 53.050 -0.207 0.000 0.945 440 N CB 0.999 39.228 38.487 -0.429 0.000 1.147 440 N HN 0.378 nan 8.380 nan 0.000 0.495 441 M N 2.509 122.010 119.600 -0.166 0.000 2.319 441 M HA -0.027 4.445 4.480 -0.013 0.000 0.265 441 M C 1.918 178.081 176.300 -0.230 0.000 1.068 441 M CA 0.639 55.860 55.300 -0.131 0.000 1.118 441 M CB -1.545 31.019 32.600 -0.059 0.000 1.395 441 M HN 0.612 nan 8.290 nan 0.000 0.435 442 A N -0.450 122.233 122.820 -0.229 0.000 1.930 442 A HA -0.170 4.142 4.320 -0.013 0.000 0.217 442 A C 1.998 179.374 177.584 -0.345 0.000 1.175 442 A CA 1.447 53.316 52.037 -0.280 0.000 0.627 442 A CB -1.103 17.936 19.000 0.065 0.000 0.815 442 A HN 0.591 nan 8.150 nan 0.000 0.443 443 H N -1.080 117.789 119.070 -0.335 0.000 2.357 443 H HA -0.021 4.527 4.556 -0.013 0.000 0.301 443 H C 2.124 177.239 175.328 -0.353 0.000 1.082 443 H CA 0.934 56.752 56.048 -0.382 0.000 1.342 443 H CB -0.059 29.685 29.762 -0.030 0.000 1.389 443 H HN 0.363 nan 8.280 nan 0.000 0.511 444 L N 0.435 121.582 121.223 -0.126 0.000 2.012 444 L HA -0.237 4.096 4.340 -0.013 0.000 0.210 444 L C 2.291 179.027 176.870 -0.223 0.000 1.073 444 L CA 1.318 56.077 54.840 -0.136 0.000 0.748 444 L CB -0.406 41.599 42.059 -0.089 0.000 0.891 444 L HN 0.451 nan 8.230 nan 0.000 0.431 445 C N -0.019 119.047 119.300 -0.390 0.000 2.429 445 C HA -0.174 4.278 4.460 -0.013 0.000 0.277 445 C C 2.657 177.394 174.990 -0.422 0.000 1.262 445 C CA 0.625 59.331 59.018 -0.521 0.000 1.733 445 C CB -0.744 26.302 27.740 -1.156 0.000 2.010 445 C HN 0.509 nan 8.230 nan 0.000 0.483 446 I N 1.435 121.709 120.570 -0.494 0.000 2.179 446 I HA -0.196 3.966 4.170 -0.013 0.000 0.242 446 I C 2.767 178.735 176.117 -0.248 0.000 1.088 446 I CA 1.636 62.688 61.300 -0.414 0.000 1.357 446 I CB -0.608 37.000 38.000 -0.653 0.000 1.051 446 I HN 0.262 nan 8.210 nan 0.000 0.409 447 A N 0.639 123.283 122.820 -0.294 0.000 1.908 447 A HA -0.143 4.169 4.320 -0.013 0.000 0.218 447 A C 2.234 179.864 177.584 0.076 0.000 1.181 447 A CA 2.040 53.942 52.037 -0.224 0.000 0.627 447 A CB -1.265 17.414 19.000 -0.536 0.000 0.818 447 A HN 0.491 nan 8.150 nan 0.000 0.445 448 G N -1.335 107.449 108.800 -0.027 0.000 3.284 448 G HA2 0.414 4.366 3.960 -0.013 0.000 0.236 448 G HA3 0.414 4.366 3.960 -0.013 0.000 0.236 448 G C 0.117 174.854 174.900 -0.273 0.000 1.158 448 G CA 0.525 45.490 45.100 -0.225 0.000 0.774 448 G HN 0.358 nan 8.290 nan 0.000 0.545 449 S N -0.311 115.284 115.700 -0.176 0.000 2.536 449 S HA 0.318 4.781 4.470 -0.013 0.000 0.298 449 S C 0.801 175.344 174.600 -0.094 0.000 1.083 449 S CA -0.701 57.421 58.200 -0.129 0.000 0.995 449 S CB 1.326 64.453 63.200 -0.121 0.000 1.058 449 S HN 0.498 nan 8.310 nan 0.000 0.488 450 H N 0.146 119.171 119.070 -0.075 0.000 2.535 450 H HA 0.426 4.974 4.556 -0.013 0.000 0.273 450 H C 0.190 175.496 175.328 -0.037 0.000 0.983 450 H CA 0.405 56.436 56.048 -0.029 0.000 1.238 450 H CB 0.140 29.901 29.762 -0.001 0.000 1.412 450 H HN 0.508 nan 8.280 nan 0.000 0.562 451 A N 1.136 123.607 122.820 -0.581 0.000 2.422 451 A HA 0.569 4.881 4.320 -0.013 0.000 0.302 451 A C -1.328 176.043 177.584 -0.355 0.000 1.041 451 A CA -0.589 51.179 52.037 -0.449 0.000 0.708 451 A CB 2.328 21.026 19.000 -0.503 0.000 1.257 451 A HN 0.102 nan 8.150 nan 0.000 0.414 452 V N 4.234 123.911 119.914 -0.396 0.000 2.525 452 V HA 0.502 4.614 4.120 -0.013 0.000 0.299 452 V C -0.787 175.120 176.094 -0.311 0.000 1.034 452 V CA -0.800 61.261 62.300 -0.399 0.000 0.863 452 V CB 1.755 33.186 31.823 -0.653 0.000 0.999 452 V HN 1.008 nan 8.190 nan 0.000 0.423 453 N N 3.238 121.772 118.700 -0.276 0.000 2.240 453 N HA 0.608 5.340 4.740 -0.013 0.000 0.302 453 N C -0.215 175.191 175.510 -0.173 0.000 1.106 453 N CA -0.360 52.572 53.050 -0.197 0.000 0.778 453 N CB 2.895 41.243 38.487 -0.231 0.000 1.431 453 N HN 0.626 nan 8.380 nan 0.000 0.479 454 G N -0.664 108.071 108.800 -0.107 0.000 2.535 454 G HA2 0.415 4.367 3.960 -0.013 0.000 0.303 454 G HA3 0.415 4.367 3.960 -0.013 0.000 0.303 454 G C 0.763 175.720 174.900 0.096 0.000 1.237 454 G CA -0.465 44.627 45.100 -0.013 0.000 0.986 454 G HN 0.627 nan 8.290 nan 0.000 0.494 455 V N -3.816 116.269 119.914 0.284 0.000 3.427 455 V HA 0.698 4.810 4.120 -0.013 0.000 0.305 455 V C 0.547 176.714 176.094 0.122 0.000 1.412 455 V CA 0.385 62.759 62.300 0.123 0.000 1.086 455 V CB -0.761 31.076 31.823 0.023 0.000 0.964 455 V HN 1.357 nan 8.190 nan 0.000 0.439 456 A N -0.026 122.880 122.820 0.144 0.000 2.599 456 A HA 0.633 4.945 4.320 -0.013 0.000 0.294 456 A C 0.680 178.313 177.584 0.082 0.000 1.055 456 A CA -0.086 52.013 52.037 0.104 0.000 0.683 456 A CB 1.157 20.207 19.000 0.083 0.000 1.278 456 A HN 0.021 nan 8.150 nan 0.000 0.412 457 R N 0.796 121.324 120.500 0.047 0.000 2.096 457 R HA -0.152 4.180 4.340 -0.013 0.000 0.240 457 R C 1.638 177.938 176.300 -0.001 0.000 1.139 457 R CA 2.269 58.375 56.100 0.010 0.000 0.952 457 R CB -0.232 30.069 30.300 0.002 0.000 0.854 457 R HN 0.820 nan 8.270 nan 0.000 0.436 458 I N 0.288 120.866 120.570 0.014 0.000 2.286 458 I HA -0.290 3.873 4.170 -0.013 0.000 0.248 458 I C 2.323 178.453 176.117 0.021 0.000 1.115 458 I CA 1.780 63.081 61.300 0.002 0.000 1.392 458 I CB -0.208 37.791 38.000 -0.002 0.000 1.065 458 I HN 0.347 nan 8.210 nan 0.000 0.418 459 H N 0.244 119.286 119.070 -0.046 0.000 2.326 459 H HA -0.106 4.443 4.556 -0.013 0.000 0.301 459 H C 2.282 177.579 175.328 -0.051 0.000 1.081 459 H CA 2.163 58.180 56.048 -0.051 0.000 1.334 459 H CB -0.258 29.478 29.762 -0.043 0.000 1.385 459 H HN 0.224 nan 8.280 nan 0.000 0.504 460 S N 0.463 116.049 115.700 -0.190 0.000 2.382 460 S HA -0.130 4.332 4.470 -0.013 0.000 0.228 460 S C 1.895 176.377 174.600 -0.196 0.000 1.027 460 S CA 1.215 59.283 58.200 -0.220 0.000 0.991 460 S CB -0.078 63.061 63.200 -0.103 0.000 0.823 460 S HN 0.482 nan 8.310 nan 0.000 0.469 461 E N 1.230 121.337 120.200 -0.154 0.000 2.072 461 E HA -0.026 4.316 4.350 -0.013 0.000 0.191 461 E C 2.046 178.534 176.600 -0.185 0.000 0.985 461 E CA 0.706 57.005 56.400 -0.168 0.000 0.801 461 E CB -0.425 29.207 29.700 -0.113 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.031 121.509 120.570 -0.154 0.000 2.264 462 I HA -0.288 3.875 4.170 -0.013 0.000 0.248 462 I C 2.431 178.430 176.117 -0.197 0.000 1.111 462 I CA 0.851 62.065 61.300 -0.144 0.000 1.382 462 I CB -0.260 37.688 38.000 -0.085 0.000 1.060 462 I HN 0.061 nan 8.210 nan 0.000 0.418 463 L N 0.354 121.426 121.223 -0.251 0.000 2.042 463 L HA -0.237 4.096 4.340 -0.013 0.000 0.210 463 L C 2.470 179.228 176.870 -0.187 0.000 1.076 463 L CA 1.594 56.304 54.840 -0.218 0.000 0.749 463 L CB -0.566 41.434 42.059 -0.099 0.000 0.893 463 L HN 0.211 nan 8.230 nan 0.000 0.432 464 K N -0.252 119.958 120.400 -0.317 0.000 2.228 464 K HA -0.086 4.226 4.320 -0.013 0.000 0.202 464 K C 1.999 178.390 176.600 -0.348 0.000 1.051 464 K CA 0.784 56.739 56.287 -0.553 0.000 0.960 464 K CB 0.103 32.012 32.500 -0.985 0.000 0.743 464 K HN 0.277 nan 8.250 nan 0.000 0.458 465 K N -0.010 120.247 120.400 -0.237 0.000 2.284 465 K HA -0.013 4.300 4.320 -0.013 0.000 0.198 465 K C 1.925 178.468 176.600 -0.095 0.000 1.048 465 K CA 1.337 57.538 56.287 -0.143 0.000 0.987 465 K CB 0.533 32.959 32.500 -0.124 0.000 0.800 465 K HN 0.248 nan 8.250 nan 0.000 0.486 466 T N -1.098 113.390 114.554 -0.111 0.000 3.330 466 T HA 0.059 4.401 4.350 -0.013 0.000 0.185 466 T C 1.978 176.625 174.700 -0.089 0.000 0.874 466 T CA -0.005 62.041 62.100 -0.090 0.000 1.268 466 T CB -0.773 68.037 68.868 -0.097 0.000 1.866 466 T HN 0.114 nan 8.240 nan 0.000 0.395 467 I N -1.000 119.452 120.570 -0.196 0.000 2.394 467 I HA 0.230 4.393 4.170 -0.013 0.000 0.251 467 I C 1.352 177.394 176.117 -0.125 0.000 1.136 467 I CA 1.319 62.460 61.300 -0.265 0.000 1.425 467 I CB -0.564 37.131 38.000 -0.509 0.000 1.079 467 I HN 0.255 nan 8.210 nan 0.000 0.425 468 F N 0.897 120.915 119.950 0.113 0.000 2.735 468 F HA 0.342 4.861 4.527 -0.013 0.000 0.304 468 F C 1.981 177.864 175.800 0.140 0.000 1.119 468 F CA -0.642 57.492 58.000 0.223 0.000 1.280 468 F CB 0.153 39.283 39.000 0.216 0.000 0.994 468 F HN -0.087 nan 8.300 nan 0.000 0.520 469 K N 1.062 121.571 120.400 0.182 0.000 2.044 469 K HA -0.225 4.088 4.320 -0.013 0.000 0.210 469 K C 1.327 177.986 176.600 0.099 0.000 1.049 469 K CA 2.266 58.606 56.287 0.087 0.000 0.927 469 K CB -0.014 32.503 32.500 0.028 0.000 0.713 469 K HN 0.145 nan 8.250 nan 0.000 0.443 470 D N -0.153 120.286 120.400 0.065 0.000 2.123 470 D HA -0.161 4.471 4.640 -0.013 0.000 0.196 470 D C 1.794 178.013 176.300 -0.135 0.000 0.992 470 D CA 1.263 55.173 54.000 -0.150 0.000 0.833 470 D CB -0.300 40.315 40.800 -0.309 0.000 0.954 470 D HN 0.256 nan 8.370 nan 0.000 0.455 471 F N -0.333 119.694 119.950 0.128 0.000 2.206 471 F HA -0.121 4.398 4.527 -0.013 0.000 0.298 471 F C 2.324 178.276 175.800 0.252 0.000 1.090 471 F CA 0.453 58.608 58.000 0.259 0.000 1.323 471 F CB -0.635 38.593 39.000 0.380 0.000 1.028 471 F HN -0.041 nan 8.300 nan 0.000 0.492 472 Y N 1.357 121.637 120.300 -0.033 0.000 2.224 472 Y HA -0.203 4.339 4.550 -0.013 0.000 0.289 472 Y C 2.131 178.019 175.900 -0.020 0.000 1.146 472 Y CA 1.623 59.520 58.100 -0.339 0.000 1.182 472 Y CB -0.581 37.490 38.460 -0.648 0.000 0.983 472 Y HN 0.127 nan 8.280 nan 0.000 0.524 473 E N -0.403 119.761 120.200 -0.060 0.000 2.106 473 E HA -0.202 4.141 4.350 -0.013 0.000 0.192 473 E C 2.006 178.672 176.600 0.110 0.000 0.984 473 E CA 1.235 57.615 56.400 -0.033 0.000 0.806 473 E CB -0.281 29.435 29.700 0.026 0.000 0.750 473 E HN 0.434 nan 8.360 nan 0.000 0.458 474 L N 0.965 122.290 121.223 0.170 0.000 2.044 474 L HA -0.067 4.266 4.340 -0.013 0.000 0.205 474 L C 0.217 177.181 176.870 0.156 0.000 1.075 474 L CA 1.716 56.691 54.840 0.226 0.000 0.747 474 L CB 0.327 42.508 42.059 0.203 0.000 0.903 474 L HN -0.091 nan 8.230 nan 0.000 0.435 475 E N -0.144 120.149 120.200 0.155 0.000 3.108 475 E HA 0.183 4.525 4.350 -0.013 0.000 0.228 475 E C -1.988 174.582 176.600 -0.051 0.000 1.176 475 E CA -1.295 55.125 56.400 0.033 0.000 0.881 475 E CB 0.825 30.532 29.700 0.012 0.000 1.354 475 E HN 0.208 nan 8.360 nan 0.000 0.400 476 P HA -0.245 nan 4.420 nan 0.000 0.218 476 P C 1.216 178.608 177.300 0.154 0.000 1.148 476 P CA 1.390 64.398 63.100 -0.154 0.000 0.822 476 P CB -0.045 31.461 31.700 -0.322 0.000 0.784 477 H N 0.106 119.273 119.070 0.161 0.000 2.489 477 H HA 0.022 4.570 4.556 -0.013 0.000 0.293 477 H C 1.756 177.171 175.328 0.144 0.000 1.066 477 H CA 0.965 57.098 56.048 0.142 0.000 1.305 477 H CB -0.619 29.198 29.762 0.093 0.000 1.386 477 H HN 0.157 nan 8.280 nan 0.000 0.551 478 K N 0.271 120.537 120.400 -0.224 0.000 2.217 478 K HA 0.019 4.332 4.320 -0.013 0.000 0.202 478 K C -0.239 176.215 176.600 -0.242 0.000 1.051 478 K CA 0.130 56.270 56.287 -0.244 0.000 0.952 478 K CB 0.125 32.368 32.500 -0.429 0.000 0.736 478 K HN 0.050 nan 8.250 nan 0.000 0.453 479 F N 1.520 121.487 119.950 0.029 0.000 2.411 479 F HA 0.248 4.767 4.527 -0.013 0.000 0.350 479 F C 0.271 176.072 175.800 0.003 0.000 1.114 479 F CA -0.299 57.726 58.000 0.042 0.000 1.135 479 F CB 1.310 40.399 39.000 0.149 0.000 1.120 479 F HN -0.063 nan 8.300 nan 0.000 0.495 480 Q N 1.804 121.636 119.800 0.053 0.000 2.528 480 Q HA 0.346 4.678 4.340 -0.013 0.000 0.289 480 Q C -1.186 174.776 176.000 -0.063 0.000 1.091 480 Q CA -1.244 54.542 55.803 -0.028 0.000 0.797 480 Q CB 3.161 31.826 28.738 -0.121 0.000 1.466 480 Q HN 0.611 nan 8.270 nan 0.000 0.436 481 N N 0.807 119.453 118.700 -0.090 0.000 2.321 481 N HA 0.263 4.996 4.740 -0.013 0.000 0.299 481 N C -1.429 173.985 175.510 -0.160 0.000 1.048 481 N CA -0.383 52.608 53.050 -0.097 0.000 0.836 481 N CB 0.969 39.421 38.487 -0.058 0.000 1.269 481 N HN 0.280 nan 8.380 nan 0.000 0.486 482 K N 2.794 123.099 120.400 -0.159 0.000 2.675 482 K HA 0.187 4.500 4.320 -0.013 0.000 0.224 482 K C -0.901 175.706 176.600 0.010 0.000 1.003 482 K CA -0.505 55.669 56.287 -0.188 0.000 1.034 482 K CB 1.289 33.464 32.500 -0.542 0.000 1.218 482 K HN 0.530 nan 8.250 nan 0.000 0.507 483 T N 2.179 116.758 114.554 0.041 0.000 2.902 483 T HA 0.040 4.383 4.350 -0.013 0.000 0.301 483 T C 0.788 175.613 174.700 0.208 0.000 1.012 483 T CA 0.360 62.534 62.100 0.124 0.000 1.151 483 T CB 0.239 69.186 68.868 0.131 0.000 0.946 483 T HN 0.365 nan 8.240 nan 0.000 0.542 484 N N 0.665 119.505 118.700 0.234 0.000 2.267 484 N HA 0.386 5.118 4.740 -0.013 0.000 0.226 484 N C 0.486 176.178 175.510 0.304 0.000 1.314 484 N CA -0.120 53.100 53.050 0.283 0.000 0.887 484 N CB 0.380 38.973 38.487 0.177 0.000 1.120 484 N HN 0.761 nan 8.380 nan 0.000 0.440 485 G N -0.604 108.385 108.800 0.316 0.000 2.687 485 G HA2 0.611 4.563 3.960 -0.013 0.000 0.291 485 G HA3 0.611 4.563 3.960 -0.013 0.000 0.291 485 G C -1.425 173.609 174.900 0.224 0.000 1.420 485 G CA -0.740 44.532 45.100 0.287 0.000 0.796 485 G HN 0.605 nan 8.290 nan 0.000 0.485 486 I N -2.419 118.269 120.570 0.197 0.000 2.828 486 I HA 0.745 4.908 4.170 -0.013 0.000 0.302 486 I C -0.215 176.062 176.117 0.266 0.000 1.101 486 I CA -0.947 60.465 61.300 0.186 0.000 1.031 486 I CB 2.472 40.470 38.000 -0.003 0.000 1.231 486 I HN 0.488 nan 8.210 nan 0.000 0.427 487 T N 4.402 119.168 114.554 0.354 0.000 2.779 487 T HA 0.353 4.695 4.350 -0.013 0.000 0.296 487 T C -1.424 173.395 174.700 0.198 0.000 0.938 487 T CA -1.556 60.676 62.100 0.219 0.000 1.119 487 T CB 0.722 69.665 68.868 0.124 0.000 0.891 487 T HN 0.632 nan 8.240 nan 0.000 0.526 488 P HA 0.042 nan 4.420 nan 0.000 0.233 488 P C 1.116 178.388 177.300 -0.047 0.000 1.167 488 P CA 0.350 63.489 63.100 0.065 0.000 0.770 488 P CB 0.344 32.065 31.700 0.036 0.000 0.837 489 R N 0.416 120.841 120.500 -0.126 0.000 2.064 489 R HA -0.001 4.332 4.340 -0.013 0.000 0.228 489 R C 2.678 178.862 176.300 -0.193 0.000 1.144 489 R CA 1.560 57.544 56.100 -0.194 0.000 0.932 489 R CB -1.227 28.959 30.300 -0.190 0.000 0.833 489 R HN 0.045 nan 8.270 nan 0.000 0.429 490 R N -0.831 119.499 120.500 -0.284 0.000 2.081 490 R HA -0.128 4.204 4.340 -0.013 0.000 0.235 490 R C 1.040 176.996 176.300 -0.574 0.000 1.131 490 R CA 1.709 57.482 56.100 -0.544 0.000 0.960 490 R CB -0.158 29.620 30.300 -0.869 0.000 0.856 490 R HN 0.306 nan 8.270 nan 0.000 0.436 491 W N -0.496 120.761 121.300 -0.071 0.000 3.353 491 W HA 0.179 4.831 4.660 -0.014 0.000 0.304 491 W C 0.923 177.411 176.519 -0.052 0.000 1.273 491 W CA -0.719 56.582 57.345 -0.072 0.000 1.773 491 W CB 0.475 29.897 29.460 -0.064 0.000 1.095 491 W HN 0.213 nan 8.180 nan 0.000 0.676 492 L N -2.216 119.062 121.223 0.092 0.000 2.681 492 L HA 0.186 4.518 4.340 -0.013 0.000 0.163 492 L C 1.792 178.676 176.870 0.024 0.000 1.188 492 L CA 0.760 55.647 54.840 0.079 0.000 0.944 492 L CB -0.831 41.301 42.059 0.123 0.000 1.835 492 L HN -0.249 nan 8.230 nan 0.000 0.510 493 V N 1.048 120.955 119.914 -0.012 0.000 2.255 493 V HA -0.282 3.830 4.120 -0.013 0.000 0.247 493 V C 2.432 178.497 176.094 -0.048 0.000 1.051 493 V CA 2.498 64.781 62.300 -0.028 0.000 1.018 493 V CB -0.714 31.064 31.823 -0.075 0.000 0.641 493 V HN 0.503 nan 8.190 nan 0.000 0.445 494 L N 0.485 121.650 121.223 -0.096 0.000 2.005 494 L HA -0.199 4.133 4.340 -0.013 0.000 0.207 494 L C 2.516 179.320 176.870 -0.110 0.000 1.072 494 L CA 2.469 57.235 54.840 -0.123 0.000 0.744 494 L CB -0.287 41.650 42.059 -0.203 0.000 0.895 494 L HN 0.671 nan 8.230 nan 0.000 0.433 495 C N -1.848 117.381 119.300 -0.119 0.000 2.563 495 C HA 0.187 4.639 4.460 -0.013 0.000 0.268 495 C C 1.206 176.175 174.990 -0.034 0.000 1.365 495 C CA -0.270 58.696 59.018 -0.087 0.000 1.754 495 C CB -1.010 26.677 27.740 -0.088 0.000 1.932 495 C HN 0.587 nan 8.230 nan 0.000 0.536 496 N N 1.170 119.862 118.700 -0.014 0.000 2.703 496 N HA 0.291 5.023 4.740 -0.013 0.000 0.283 496 N C -1.744 173.773 175.510 0.013 0.000 1.851 496 N CA -1.650 51.403 53.050 0.005 0.000 0.826 496 N CB 0.751 39.250 38.487 0.020 0.000 1.239 496 N HN 0.243 nan 8.380 nan 0.000 0.495 497 P HA -0.052 nan 4.420 nan 0.000 0.217 497 P C 1.421 178.733 177.300 0.020 0.000 1.150 497 P CA 0.951 64.058 63.100 0.012 0.000 0.832 497 P CB 0.198 31.898 31.700 0.001 0.000 0.787 498 G N 0.524 109.330 108.800 0.011 0.000 2.440 498 G HA2 -0.252 3.700 3.960 -0.013 0.000 0.218 498 G HA3 -0.252 3.700 3.960 -0.013 0.000 0.218 498 G C 1.521 176.424 174.900 0.005 0.000 1.154 498 G CA 0.721 45.824 45.100 0.006 0.000 0.767 498 G HN 0.262 nan 8.290 nan 0.000 0.552 499 L N 1.031 122.259 121.223 0.009 0.000 2.131 499 L HA 0.362 4.695 4.340 -0.013 0.000 0.206 499 L C 3.024 179.918 176.870 0.041 0.000 1.087 499 L CA 1.817 56.660 54.840 0.006 0.000 0.767 499 L CB -0.651 41.411 42.059 0.005 0.000 0.917 499 L HN 0.210 nan 8.230 nan 0.000 0.441 500 A N -0.686 122.181 122.820 0.077 0.000 1.940 500 A HA -0.246 4.066 4.320 -0.013 0.000 0.219 500 A C 2.235 179.912 177.584 0.155 0.000 1.176 500 A CA 1.823 53.957 52.037 0.162 0.000 0.631 500 A CB -0.607 18.484 19.000 0.152 0.000 0.814 500 A HN 0.532 nan 8.150 nan 0.000 0.446 501 E N 0.617 120.870 120.200 0.087 0.000 2.028 501 E HA -0.144 4.198 4.350 -0.013 0.000 0.190 501 E C 1.864 178.499 176.600 0.059 0.000 0.984 501 E CA 1.501 57.942 56.400 0.069 0.000 0.800 501 E CB -0.512 29.212 29.700 0.039 0.000 0.758 501 E HN 0.727 nan 8.360 nan 0.000 0.448 502 I N -1.547 119.050 120.570 0.045 0.000 2.361 502 I HA -0.163 3.999 4.170 -0.013 0.000 0.251 502 I C 2.107 178.288 176.117 0.106 0.000 1.133 502 I CA 1.214 62.551 61.300 0.061 0.000 1.413 502 I CB -0.349 37.663 38.000 0.019 0.000 1.073 502 I HN 0.030 nan 8.210 nan 0.000 0.424 503 I N 1.872 122.480 120.570 0.063 0.000 2.286 503 I HA -0.172 3.990 4.170 -0.013 0.000 0.245 503 I C 2.991 179.057 176.117 -0.085 0.000 1.104 503 I CA 1.278 62.545 61.300 -0.055 0.000 1.397 503 I CB -0.463 37.384 38.000 -0.255 0.000 1.072 503 I HN 0.303 nan 8.210 nan 0.000 0.417 504 A N 0.400 123.258 122.820 0.064 0.000 1.972 504 A HA -0.211 4.101 4.320 -0.013 0.000 0.219 504 A C 2.171 179.785 177.584 0.050 0.000 1.169 504 A CA 1.508 53.633 52.037 0.148 0.000 0.635 504 A CB -0.552 18.567 19.000 0.197 0.000 0.810 504 A HN 0.433 nan 8.150 nan 0.000 0.446 505 E N -0.597 119.614 120.200 0.018 0.000 2.085 505 E HA -0.214 4.128 4.350 -0.013 0.000 0.194 505 E C 2.264 178.830 176.600 -0.056 0.000 0.994 505 E CA 1.195 57.591 56.400 -0.006 0.000 0.801 505 E CB -0.098 29.604 29.700 0.002 0.000 0.743 505 E HN 0.416 nan 8.360 nan 0.000 0.453 506 R N 0.246 120.654 120.500 -0.154 0.000 2.066 506 R HA 0.035 4.367 4.340 -0.013 0.000 0.224 506 R C 2.382 178.592 176.300 -0.151 0.000 1.122 506 R CA 0.998 56.922 56.100 -0.294 0.000 0.974 506 R CB -0.428 29.364 30.300 -0.847 0.000 0.871 506 R HN 0.358 nan 8.270 nan 0.000 0.435 507 I N -3.324 117.174 120.570 -0.120 0.000 4.154 507 I HA 0.441 4.604 4.170 -0.013 0.000 0.334 507 I C 0.455 176.607 176.117 0.059 0.000 1.371 507 I CA 0.149 61.433 61.300 -0.027 0.000 1.110 507 I CB 0.795 38.762 38.000 -0.055 0.000 1.085 507 I HN 0.182 nan 8.210 nan 0.000 0.398 508 G N 1.963 110.810 108.800 0.078 0.000 2.698 508 G HA2 -0.219 3.733 3.960 -0.013 0.000 0.225 508 G HA3 -0.219 3.733 3.960 -0.013 0.000 0.225 508 G C -0.040 174.991 174.900 0.218 0.000 1.345 508 G CA 0.182 45.352 45.100 0.116 0.000 0.871 508 G HN 0.407 nan 8.290 nan 0.000 0.540 509 E N -0.166 120.113 120.200 0.132 0.000 2.476 509 E HA 0.098 4.440 4.350 -0.013 0.000 0.199 509 E C 2.002 178.555 176.600 -0.078 0.000 1.021 509 E CA 0.311 56.735 56.400 0.039 0.000 0.907 509 E CB 0.217 29.929 29.700 0.020 0.000 0.974 509 E HN 0.625 nan 8.360 nan 0.000 0.489 510 E N 0.253 120.476 120.200 0.039 0.000 2.265 510 E HA -0.202 4.141 4.350 -0.013 0.000 0.196 510 E C 1.606 178.199 176.600 -0.011 0.000 0.996 510 E CA 0.934 57.347 56.400 0.021 0.000 0.832 510 E CB -0.136 29.601 29.700 0.060 0.000 0.756 510 E HN 0.488 nan 8.360 nan 0.000 0.491 511 Y N -0.676 119.627 120.300 0.006 0.000 2.421 511 Y HA -0.052 4.491 4.550 -0.011 0.000 0.292 511 Y C 1.763 177.639 175.900 -0.039 0.000 1.136 511 Y CA 0.493 58.588 58.100 -0.008 0.000 1.255 511 Y CB -0.530 37.929 38.460 -0.003 0.000 0.991 511 Y HN -0.066 nan 8.280 nan 0.000 0.552 512 I N 0.916 121.017 120.570 -0.783 0.000 2.361 512 I HA -0.230 3.933 4.170 -0.013 0.000 0.251 512 I C 1.706 177.569 176.117 -0.424 0.000 1.133 512 I CA 1.794 62.677 61.300 -0.696 0.000 1.413 512 I CB -0.364 37.130 38.000 -0.845 0.000 1.073 512 I HN 0.459 nan 8.210 nan 0.000 0.424 513 S N -2.062 113.495 115.700 -0.239 0.000 2.650 513 S HA 0.173 4.635 4.470 -0.013 0.000 0.240 513 S C 0.163 174.747 174.600 -0.026 0.000 1.007 513 S CA -0.464 57.676 58.200 -0.099 0.000 0.984 513 S CB 0.305 63.517 63.200 0.020 0.000 0.910 513 S HN 0.278 nan 8.310 nan 0.000 0.509 514 D N 0.698 121.091 120.400 -0.013 0.000 2.823 514 D HA 0.250 4.882 4.640 -0.013 0.000 0.255 514 D C 0.327 176.668 176.300 0.068 0.000 1.257 514 D CA -0.374 53.643 54.000 0.028 0.000 0.803 514 D CB 0.393 41.215 40.800 0.035 0.000 1.384 514 D HN 0.091 nan 8.370 nan 0.000 0.541 515 L N 1.120 122.383 121.223 0.067 0.000 2.353 515 L HA 0.001 4.333 4.340 -0.013 0.000 0.220 515 L C 1.414 178.335 176.870 0.085 0.000 1.133 515 L CA 1.474 56.383 54.840 0.115 0.000 0.798 515 L CB -0.061 42.059 42.059 0.102 0.000 0.922 515 L HN 0.259 nan 8.230 nan 0.000 0.445 516 D N -0.723 119.704 120.400 0.045 0.000 2.265 516 D HA -0.211 4.421 4.640 -0.013 0.000 0.208 516 D C 1.904 178.224 176.300 0.034 0.000 0.977 516 D CA 0.812 54.824 54.000 0.021 0.000 0.871 516 D CB 0.069 40.869 40.800 0.000 0.000 0.925 516 D HN 0.557 nan 8.370 nan 0.000 0.485 517 Q N -0.016 119.822 119.800 0.064 0.000 2.364 517 Q HA -0.043 4.289 4.340 -0.013 0.000 0.209 517 Q C 2.314 178.333 176.000 0.032 0.000 0.977 517 Q CA 0.259 56.101 55.803 0.064 0.000 0.885 517 Q CB 0.023 28.828 28.738 0.112 0.000 0.941 517 Q HN 0.393 nan 8.270 nan 0.000 0.464 518 L N 0.225 121.461 121.223 0.022 0.000 2.261 518 L HA -0.204 4.129 4.340 -0.013 0.000 0.216 518 L C 2.329 179.195 176.870 -0.008 0.000 1.114 518 L CA 0.914 55.733 54.840 -0.035 0.000 0.777 518 L CB -0.398 41.652 42.059 -0.015 0.000 0.910 518 L HN 0.220 nan 8.230 nan 0.000 0.440 519 R N 0.453 120.958 120.500 0.009 0.000 2.127 519 R HA -0.191 4.141 4.340 -0.013 0.000 0.238 519 R C 2.145 178.451 176.300 0.010 0.000 1.134 519 R CA 1.236 57.343 56.100 0.011 0.000 0.975 519 R CB -0.238 30.065 30.300 0.006 0.000 0.865 519 R HN 0.395 nan 8.270 nan 0.000 0.447 520 K N 0.583 120.990 120.400 0.011 0.000 2.286 520 K HA -0.146 4.166 4.320 -0.013 0.000 0.203 520 K C 1.862 178.503 176.600 0.068 0.000 1.045 520 K CA 1.004 57.307 56.287 0.027 0.000 0.935 520 K CB -0.152 32.370 32.500 0.036 0.000 0.737 520 K HN 0.229 nan 8.250 nan 0.000 0.460 521 L N 0.422 121.667 121.223 0.036 0.000 2.376 521 L HA -0.125 4.207 4.340 -0.013 0.000 0.219 521 L C 1.795 178.720 176.870 0.091 0.000 1.133 521 L CA 0.020 54.889 54.840 0.048 0.000 0.816 521 L CB -0.223 41.818 42.059 -0.031 0.000 0.933 521 L HN 0.127 nan 8.230 nan 0.000 0.449 522 L N 0.062 121.312 121.223 0.046 0.000 2.191 522 L HA -0.169 4.163 4.340 -0.013 0.000 0.212 522 L C 2.683 179.537 176.870 -0.028 0.000 1.103 522 L CA 1.846 56.700 54.840 0.023 0.000 0.769 522 L CB -0.965 41.097 42.059 0.006 0.000 0.908 522 L HN 0.358 nan 8.230 nan 0.000 0.438 523 S N -2.676 112.961 115.700 -0.105 0.000 2.607 523 S HA -0.080 4.383 4.470 -0.013 0.000 0.224 523 S C 1.223 175.535 174.600 -0.480 0.000 0.969 523 S CA 0.267 58.295 58.200 -0.287 0.000 0.927 523 S CB -0.514 62.462 63.200 -0.374 0.000 0.772 523 S HN 0.473 nan 8.310 nan 0.000 0.533 524 Y N -0.541 119.677 120.300 -0.137 0.000 2.557 524 Y HA 0.438 4.986 4.550 -0.004 0.000 0.247 524 Y C 1.906 177.826 175.900 0.035 0.000 1.164 524 Y CA -0.555 57.455 58.100 -0.150 0.000 1.218 524 Y CB 0.215 38.350 38.460 -0.542 0.000 1.210 524 Y HN 0.252 nan 8.280 nan 0.000 0.529 525 V N 0.412 120.408 119.914 0.137 0.000 2.759 525 V HA -0.200 3.913 4.120 -0.013 0.000 0.256 525 V C 0.980 177.140 176.094 0.111 0.000 1.080 525 V CA 2.173 64.560 62.300 0.144 0.000 1.101 525 V CB -0.016 31.856 31.823 0.082 0.000 0.698 525 V HN 0.357 nan 8.190 nan 0.000 0.477 526 D N -0.781 119.662 120.400 0.072 0.000 2.398 526 D HA 0.102 4.735 4.640 -0.013 0.000 0.210 526 D C 0.387 176.730 176.300 0.072 0.000 1.094 526 D CA -0.007 54.026 54.000 0.054 0.000 0.839 526 D CB 0.157 40.966 40.800 0.015 0.000 0.963 526 D HN 0.431 nan 8.370 nan 0.000 0.506 527 D N 1.482 121.957 120.400 0.126 0.000 2.336 527 D HA -0.021 4.612 4.640 -0.013 0.000 0.249 527 D C 1.094 177.498 176.300 0.173 0.000 1.213 527 D CA 0.009 54.106 54.000 0.161 0.000 0.870 527 D CB 1.628 42.591 40.800 0.272 0.000 1.076 527 D HN -0.177 nan 8.370 nan 0.000 0.483 528 E N 3.082 123.349 120.200 0.113 0.000 2.150 528 E HA -0.119 4.224 4.350 -0.013 0.000 0.193 528 E C 1.704 178.359 176.600 0.091 0.000 0.985 528 E CA 1.199 57.651 56.400 0.085 0.000 0.814 528 E CB 0.062 29.794 29.700 0.054 0.000 0.752 528 E HN 0.584 nan 8.360 nan 0.000 0.466 529 A N -0.252 122.638 122.820 0.117 0.000 1.873 529 A HA -0.126 4.187 4.320 -0.013 0.000 0.215 529 A C 2.185 179.853 177.584 0.140 0.000 1.186 529 A CA 1.234 53.337 52.037 0.110 0.000 0.616 529 A CB -0.966 18.102 19.000 0.114 0.000 0.823 529 A HN 0.433 nan 8.150 nan 0.000 0.442 530 F N 0.506 120.475 119.950 0.031 0.000 2.102 530 F HA -0.189 4.332 4.527 -0.011 0.000 0.298 530 F C 2.070 177.877 175.800 0.012 0.000 1.105 530 F CA 1.776 59.781 58.000 0.007 0.000 1.239 530 F CB -0.158 38.860 39.000 0.030 0.000 0.991 530 F HN 0.172 nan 8.300 nan 0.000 0.474 531 I N 0.261 120.872 120.570 0.069 0.000 2.145 531 I HA -0.396 3.766 4.170 -0.013 0.000 0.244 531 I C 2.609 178.677 176.117 -0.083 0.000 1.075 531 I CA 1.915 63.199 61.300 -0.026 0.000 1.332 531 I CB -0.553 37.475 38.000 0.047 0.000 1.033 531 I HN 0.130 nan 8.210 nan 0.000 0.410 532 R N 0.805 121.280 120.500 -0.043 0.000 2.081 532 R HA -0.188 4.144 4.340 -0.013 0.000 0.235 532 R C 1.876 178.124 176.300 -0.086 0.000 1.131 532 R CA 1.922 57.993 56.100 -0.048 0.000 0.960 532 R CB -0.153 30.137 30.300 -0.016 0.000 0.856 532 R HN 0.296 nan 8.270 nan 0.000 0.436 533 D N -0.106 120.222 120.400 -0.121 0.000 2.097 533 D HA -0.121 4.511 4.640 -0.013 0.000 0.197 533 D C 1.988 178.153 176.300 -0.225 0.000 0.984 533 D CA 1.292 55.202 54.000 -0.151 0.000 0.826 533 D CB -0.227 40.492 40.800 -0.134 0.000 0.973 533 D HN 0.086 nan 8.370 nan 0.000 0.460 534 V N 1.630 121.315 119.914 -0.383 0.000 2.255 534 V HA -0.277 3.835 4.120 -0.013 0.000 0.247 534 V C 2.556 178.555 176.094 -0.158 0.000 1.051 534 V CA 2.042 64.136 62.300 -0.342 0.000 1.018 534 V CB -0.908 30.643 31.823 -0.452 0.000 0.641 534 V HN 0.199 nan 8.190 nan 0.000 0.445 535 A N -0.639 122.110 122.820 -0.118 0.000 1.972 535 A HA -0.254 4.058 4.320 -0.013 0.000 0.219 535 A C 2.357 179.904 177.584 -0.062 0.000 1.169 535 A CA 2.111 54.112 52.037 -0.061 0.000 0.635 535 A CB -0.469 18.500 19.000 -0.052 0.000 0.810 535 A HN 0.548 nan 8.150 nan 0.000 0.446 536 K N -0.272 120.085 120.400 -0.072 0.000 2.025 536 K HA -0.065 4.247 4.320 -0.013 0.000 0.207 536 K C 1.808 178.379 176.600 -0.048 0.000 1.049 536 K CA 1.463 57.717 56.287 -0.055 0.000 0.933 536 K CB -0.242 32.227 32.500 -0.051 0.000 0.714 536 K HN 0.219 nan 8.250 nan 0.000 0.438 537 V N 1.800 121.679 119.914 -0.059 0.000 2.332 537 V HA -0.246 3.866 4.120 -0.013 0.000 0.248 537 V C 2.369 178.446 176.094 -0.028 0.000 1.055 537 V CA 1.946 64.221 62.300 -0.042 0.000 1.038 537 V CB -0.439 31.351 31.823 -0.056 0.000 0.651 537 V HN 0.343 nan 8.190 nan 0.000 0.450 538 K N 0.393 120.775 120.400 -0.030 0.000 2.025 538 K HA -0.206 4.107 4.320 -0.013 0.000 0.207 538 K C 2.173 178.748 176.600 -0.042 0.000 1.049 538 K CA 1.703 57.980 56.287 -0.017 0.000 0.933 538 K CB -0.506 32.001 32.500 0.011 0.000 0.714 538 K HN 0.363 nan 8.250 nan 0.000 0.438 539 Q N 1.068 120.836 119.800 -0.053 0.000 2.084 539 Q HA -0.121 4.212 4.340 -0.013 0.000 0.202 539 Q C 1.701 177.681 176.000 -0.034 0.000 0.978 539 Q CA 1.986 57.749 55.803 -0.066 0.000 0.844 539 Q CB -0.115 28.587 28.738 -0.060 0.000 0.898 539 Q HN 0.497 nan 8.270 nan 0.000 0.426 540 E N -0.489 119.701 120.200 -0.015 0.000 2.085 540 E HA -0.181 4.161 4.350 -0.013 0.000 0.194 540 E C 1.770 178.391 176.600 0.034 0.000 0.994 540 E CA 1.088 57.493 56.400 0.009 0.000 0.801 540 E CB -0.098 29.604 29.700 0.004 0.000 0.743 540 E HN 0.408 nan 8.360 nan 0.000 0.453 541 N N 0.896 119.613 118.700 0.029 0.000 2.120 541 N HA -0.137 4.595 4.740 -0.013 0.000 0.188 541 N C 1.520 177.105 175.510 0.124 0.000 1.024 541 N CA 1.066 54.154 53.050 0.063 0.000 0.852 541 N CB -0.096 38.413 38.487 0.037 0.000 1.003 541 N HN 0.134 nan 8.380 nan 0.000 0.424 542 K N 0.497 120.931 120.400 0.058 0.000 2.057 542 K HA 0.017 4.330 4.320 -0.013 0.000 0.206 542 K C 2.107 178.825 176.600 0.198 0.000 1.050 542 K CA 0.649 56.976 56.287 0.067 0.000 0.935 542 K CB -0.150 32.133 32.500 -0.361 0.000 0.715 542 K HN 0.102 nan 8.250 nan 0.000 0.439 543 L N 1.215 122.502 121.223 0.106 0.000 2.017 543 L HA -0.189 4.144 4.340 -0.013 0.000 0.208 543 L C 2.613 179.574 176.870 0.152 0.000 1.073 543 L CA 1.306 56.216 54.840 0.117 0.000 0.745 543 L CB -0.329 41.768 42.059 0.064 0.000 0.894 543 L HN 0.150 nan 8.230 nan 0.000 0.432 544 K N -0.258 120.234 120.400 0.153 0.000 2.063 544 K HA -0.245 4.068 4.320 -0.013 0.000 0.208 544 K C 2.179 178.923 176.600 0.240 0.000 1.048 544 K CA 1.696 58.080 56.287 0.162 0.000 0.928 544 K CB -0.153 32.427 32.500 0.133 0.000 0.713 544 K HN 0.112 nan 8.250 nan 0.000 0.442 545 F N 0.946 120.993 119.950 0.162 0.000 2.259 545 F HA 0.021 4.540 4.527 -0.013 0.000 0.298 545 F C 1.966 177.914 175.800 0.247 0.000 1.088 545 F CA 1.019 59.146 58.000 0.213 0.000 1.358 545 F CB -0.255 38.875 39.000 0.217 0.000 1.040 545 F HN 0.066 nan 8.300 nan 0.000 0.505 546 A N 0.182 123.160 122.820 0.265 0.000 1.933 546 A HA -0.051 4.261 4.320 -0.013 0.000 0.218 546 A C 2.371 179.963 177.584 0.012 0.000 1.175 546 A CA 1.670 53.789 52.037 0.137 0.000 0.628 546 A CB -1.390 17.754 19.000 0.240 0.000 0.814 546 A HN 0.431 nan 8.150 nan 0.000 0.444 547 A N -1.626 121.224 122.820 0.051 0.000 1.929 547 A HA -0.024 4.288 4.320 -0.013 0.000 0.216 547 A C 2.099 179.675 177.584 -0.014 0.000 1.176 547 A CA 1.394 53.442 52.037 0.019 0.000 0.628 547 A CB -0.781 18.253 19.000 0.056 0.000 0.816 547 A HN 0.726 nan 8.150 nan 0.000 0.444 548 Y N 0.629 120.856 120.300 -0.122 0.000 2.165 548 Y HA -0.197 4.346 4.550 -0.013 0.000 0.286 548 Y C 1.910 177.699 175.900 -0.185 0.000 1.155 548 Y CA 1.921 59.932 58.100 -0.149 0.000 1.164 548 Y CB -0.220 38.145 38.460 -0.158 0.000 0.978 548 Y HN 0.212 nan 8.280 nan 0.000 0.513 549 L N 0.032 121.057 121.223 -0.331 0.000 2.083 549 L HA -0.203 4.130 4.340 -0.013 0.000 0.209 549 L C 2.378 179.100 176.870 -0.248 0.000 1.083 549 L CA 1.639 56.290 54.840 -0.315 0.000 0.752 549 L CB -0.489 41.378 42.059 -0.320 0.000 0.899 549 L HN 0.349 nan 8.230 nan 0.000 0.433 550 E N -0.182 119.863 120.200 -0.259 0.000 2.046 550 E HA -0.177 4.165 4.350 -0.013 0.000 0.190 550 E C 2.352 178.814 176.600 -0.230 0.000 0.982 550 E CA 0.834 57.059 56.400 -0.293 0.000 0.800 550 E CB 0.030 29.554 29.700 -0.294 0.000 0.756 550 E HN 0.389 nan 8.360 nan 0.000 0.449 551 R N 0.407 120.777 120.500 -0.217 0.000 2.092 551 R HA -0.132 4.200 4.340 -0.013 0.000 0.231 551 R C 1.915 178.044 176.300 -0.285 0.000 1.119 551 R CA 1.182 57.164 56.100 -0.197 0.000 0.970 551 R CB 0.019 30.233 30.300 -0.144 0.000 0.864 551 R HN 0.028 nan 8.270 nan 0.000 0.440 552 E N -1.677 118.246 120.200 -0.461 0.000 2.389 552 E HA 0.027 4.370 4.350 -0.013 0.000 0.199 552 E C 0.028 176.116 176.600 -0.854 0.000 0.978 552 E CA 0.531 56.514 56.400 -0.695 0.000 0.912 552 E CB 0.567 29.645 29.700 -1.037 0.000 0.907 552 E HN 0.265 nan 8.360 nan 0.000 0.494 553 Y N -0.338 119.800 120.300 -0.271 0.000 2.728 553 Y HA 0.270 4.812 4.550 -0.013 0.000 0.256 553 Y C -0.177 175.643 175.900 -0.133 0.000 1.112 553 Y CA -0.608 57.389 58.100 -0.170 0.000 1.240 553 Y CB 0.926 39.288 38.460 -0.164 0.000 1.337 553 Y HN -0.244 nan 8.280 nan 0.000 0.559 554 K N 0.283 120.644 120.400 -0.067 0.000 3.012 554 K HA -0.150 4.162 4.320 -0.013 0.000 0.259 554 K C -0.363 176.199 176.600 -0.064 0.000 0.989 554 K CA 0.889 57.131 56.287 -0.076 0.000 0.728 554 K CB -2.435 30.064 32.500 -0.003 0.000 1.260 554 K HN 0.284 nan 8.250 nan 0.000 0.480 555 V N -2.268 117.571 119.914 -0.125 0.000 2.513 555 V HA 0.576 4.688 4.120 -0.013 0.000 0.299 555 V C 0.146 176.108 176.094 -0.220 0.000 1.035 555 V CA -0.940 61.312 62.300 -0.081 0.000 0.889 555 V CB 1.803 33.603 31.823 -0.038 0.000 0.988 555 V HN 0.254 nan 8.190 nan 0.000 0.440 556 H N 4.698 123.757 119.070 -0.018 0.000 2.476 556 H HA 0.798 5.346 4.556 -0.013 0.000 0.328 556 H C -0.019 175.302 175.328 -0.012 0.000 1.073 556 H CA -0.181 55.861 56.048 -0.010 0.000 1.229 556 H CB 1.608 31.369 29.762 -0.001 0.000 1.432 556 H HN 0.956 nan 8.280 nan 0.000 0.477 557 I N -0.419 120.208 120.570 0.095 0.000 2.828 557 I HA 0.486 4.648 4.170 -0.013 0.000 0.302 557 I C -0.493 175.711 176.117 0.145 0.000 1.101 557 I CA -1.361 59.990 61.300 0.085 0.000 1.031 557 I CB 2.241 40.254 38.000 0.020 0.000 1.231 557 I HN 0.341 nan 8.210 nan 0.000 0.427 558 N N 4.877 123.668 118.700 0.152 0.000 2.406 558 N HA 0.396 5.128 4.740 -0.013 0.000 0.251 558 N C -2.026 173.631 175.510 0.245 0.000 1.069 558 N CA -2.389 50.756 53.050 0.158 0.000 0.947 558 N CB 1.051 39.601 38.487 0.106 0.000 1.111 558 N HN 0.382 nan 8.380 nan 0.000 0.497 559 P HA 0.052 nan 4.420 nan 0.000 0.237 559 P C -0.102 177.177 177.300 -0.034 0.000 1.178 559 P CA 0.916 64.092 63.100 0.126 0.000 0.766 559 P CB 0.208 31.962 31.700 0.090 0.000 0.876 560 N N -1.039 117.679 118.700 0.031 0.000 2.422 560 N HA -0.014 4.718 4.740 -0.013 0.000 0.181 560 N C 0.498 176.036 175.510 0.046 0.000 1.080 560 N CA -0.009 53.050 53.050 0.015 0.000 0.893 560 N CB -0.044 38.464 38.487 0.035 0.000 0.973 560 N HN 0.146 nan 8.380 nan 0.000 0.456 561 S N 0.267 116.009 115.700 0.070 0.000 2.614 561 S HA 0.173 4.635 4.470 -0.013 0.000 0.265 561 S C 0.072 174.642 174.600 -0.050 0.000 1.303 561 S CA -0.908 57.322 58.200 0.050 0.000 1.000 561 S CB 0.997 64.260 63.200 0.105 0.000 0.935 561 S HN 0.186 nan 8.310 nan 0.000 0.551 562 L N 2.062 123.100 121.223 -0.309 0.000 2.418 562 L HA 0.342 4.675 4.340 -0.013 0.000 0.274 562 L C -0.828 176.023 176.870 -0.031 0.000 1.135 562 L CA -0.460 54.015 54.840 -0.608 0.000 0.870 562 L CB -0.230 41.204 42.059 -1.042 0.000 1.154 562 L HN 0.703 nan 8.230 nan 0.000 0.462 563 F N 4.292 124.112 119.950 -0.217 0.000 2.405 563 F HA 0.094 4.614 4.527 -0.012 0.000 0.358 563 F C 0.442 176.181 175.800 -0.101 0.000 1.151 563 F CA -0.807 57.133 58.000 -0.098 0.000 1.161 563 F CB 0.504 39.491 39.000 -0.022 0.000 1.245 563 F HN 0.520 nan 8.300 nan 0.000 0.545 564 D N 4.897 125.303 120.400 0.010 0.000 2.396 564 D HA 0.224 4.857 4.640 -0.013 0.000 0.225 564 D C -1.071 175.178 176.300 -0.085 0.000 1.121 564 D CA -0.082 53.883 54.000 -0.057 0.000 0.853 564 D CB 1.421 42.171 40.800 -0.083 0.000 1.043 564 D HN 0.263 nan 8.370 nan 0.000 0.500 565 V N 3.252 123.102 119.914 -0.107 0.000 2.540 565 V HA 0.534 4.647 4.120 -0.013 0.000 0.302 565 V C -1.344 174.613 176.094 -0.229 0.000 1.035 565 V CA -0.664 61.556 62.300 -0.135 0.000 0.873 565 V CB 1.803 33.600 31.823 -0.043 0.000 0.992 565 V HN 0.534 nan 8.190 nan 0.000 0.428 566 Q N 4.832 124.511 119.800 -0.203 0.000 2.401 566 Q HA 0.657 4.989 4.340 -0.013 0.000 0.260 566 Q C -1.363 174.479 176.000 -0.262 0.000 1.034 566 Q CA -0.643 55.025 55.803 -0.225 0.000 0.737 566 Q CB 1.812 30.445 28.738 -0.175 0.000 1.227 566 Q HN 1.090 nan 8.270 nan 0.000 0.488 567 V N 1.698 121.447 119.914 -0.276 0.000 2.444 567 V HA 0.863 4.975 4.120 -0.013 0.000 0.294 567 V C -0.947 174.889 176.094 -0.429 0.000 1.022 567 V CA -0.541 61.418 62.300 -0.569 0.000 0.850 567 V CB 1.112 32.381 31.823 -0.923 0.000 0.992 567 V HN 0.829 nan 8.190 nan 0.000 0.426 568 K N 2.617 122.800 120.400 -0.361 0.000 3.040 568 K HA 0.439 4.752 4.320 -0.013 0.000 0.300 568 K C -1.232 175.380 176.600 0.020 0.000 1.092 568 K CA -1.205 55.054 56.287 -0.047 0.000 0.831 568 K CB 0.855 33.320 32.500 -0.058 0.000 1.469 568 K HN 0.431 nan 8.250 nan 0.000 0.365 569 R N 0.996 121.572 120.500 0.127 0.000 2.640 569 R HA 0.150 4.483 4.340 -0.013 0.000 0.270 569 R C 0.316 176.654 176.300 0.064 0.000 1.024 569 R CA -0.308 55.878 56.100 0.143 0.000 1.085 569 R CB -0.151 30.292 30.300 0.238 0.000 0.963 569 R HN 0.476 nan 8.270 nan 0.000 0.426 570 I N 4.757 125.321 120.570 -0.010 0.000 2.452 570 I HA 0.094 4.256 4.170 -0.013 0.000 0.287 570 I C 0.764 176.730 176.117 -0.252 0.000 1.079 570 I CA 0.635 61.871 61.300 -0.107 0.000 1.387 570 I CB -0.293 37.644 38.000 -0.105 0.000 1.404 570 I HN 0.276 nan 8.210 nan 0.000 0.522 571 H N 4.331 123.302 119.070 -0.164 0.000 2.996 571 H HA 0.222 4.770 4.556 -0.013 0.000 0.368 571 H C 0.448 175.658 175.328 -0.196 0.000 1.185 571 H CA -0.477 55.509 56.048 -0.103 0.000 1.160 571 H CB 2.064 31.680 29.762 -0.245 0.000 1.820 571 H HN 0.512 nan 8.280 nan 0.000 0.547 572 E N 1.148 121.403 120.200 0.092 0.000 2.110 572 E HA -0.212 4.131 4.350 -0.013 0.000 0.193 572 E C 1.464 177.794 176.600 -0.449 0.000 0.988 572 E CA 1.570 57.946 56.400 -0.041 0.000 0.804 572 E CB 0.016 29.872 29.700 0.260 0.000 0.745 572 E HN 0.547 nan 8.360 nan 0.000 0.458 573 Y N 0.721 120.503 120.300 -0.862 0.000 2.352 573 Y HA -0.008 4.534 4.550 -0.013 0.000 0.292 573 Y C 1.489 177.122 175.900 -0.446 0.000 1.136 573 Y CA 0.843 58.270 58.100 -1.121 0.000 1.227 573 Y CB -0.071 37.782 38.460 -1.011 0.000 0.991 573 Y HN -0.211 nan 8.280 nan 0.000 0.545 574 K N 0.730 120.665 120.400 -0.774 0.000 2.418 574 K HA 0.084 4.396 4.320 -0.013 0.000 0.195 574 K C 0.112 176.539 176.600 -0.289 0.000 1.035 574 K CA 0.458 56.410 56.287 -0.558 0.000 1.003 574 K CB -0.022 32.146 32.500 -0.553 0.000 0.793 574 K HN 0.257 nan 8.250 nan 0.000 0.494 575 R N 0.465 120.823 120.500 -0.238 0.000 3.336 575 R HA -0.233 4.099 4.340 -0.013 0.000 0.260 575 R C 0.290 176.510 176.300 -0.133 0.000 1.032 575 R CA 0.222 56.234 56.100 -0.146 0.000 0.693 575 R CB -1.946 28.285 30.300 -0.114 0.000 1.134 575 R HN 0.297 nan 8.270 nan 0.000 0.433 576 Q N 0.371 120.092 119.800 -0.132 0.000 2.248 576 Q HA -0.093 4.240 4.340 -0.013 0.000 0.208 576 Q C 2.029 177.981 176.000 -0.081 0.000 0.984 576 Q CA 1.574 57.315 55.803 -0.104 0.000 0.875 576 Q CB -0.019 28.661 28.738 -0.097 0.000 0.910 576 Q HN 0.593 nan 8.270 nan 0.000 0.433 577 L N -0.665 120.513 121.223 -0.076 0.000 2.141 577 L HA -0.169 4.164 4.340 -0.013 0.000 0.209 577 L C 1.997 178.866 176.870 -0.002 0.000 1.094 577 L CA 0.452 55.261 54.840 -0.051 0.000 0.763 577 L CB -0.317 41.720 42.059 -0.036 0.000 0.908 577 L HN 0.306 nan 8.230 nan 0.000 0.437 578 L N 0.036 121.250 121.223 -0.016 0.000 2.056 578 L HA -0.225 4.107 4.340 -0.013 0.000 0.207 578 L C 2.017 178.935 176.870 0.079 0.000 1.078 578 L CA 1.865 56.705 54.840 -0.000 0.000 0.749 578 L CB -0.812 41.143 42.059 -0.173 0.000 0.901 578 L HN 0.269 nan 8.230 nan 0.000 0.433 579 N N -1.618 117.100 118.700 0.030 0.000 2.069 579 N HA -0.253 4.479 4.740 -0.013 0.000 0.191 579 N C 1.963 177.556 175.510 0.138 0.000 1.031 579 N CA 1.797 54.944 53.050 0.161 0.000 0.852 579 N CB -0.161 38.353 38.487 0.045 0.000 1.018 579 N HN 0.494 nan 8.380 nan 0.000 0.423 580 C N 0.525 119.840 119.300 0.026 0.000 2.401 580 C HA -0.100 4.352 4.460 -0.013 0.000 0.276 580 C C 2.573 177.552 174.990 -0.019 0.000 1.233 580 C CA 0.450 59.436 59.018 -0.053 0.000 1.753 580 C CB -1.280 26.376 27.740 -0.141 0.000 2.029 580 C HN 0.503 nan 8.230 nan 0.000 0.478 581 L N -0.482 120.790 121.223 0.082 0.000 2.083 581 L HA -0.185 4.148 4.340 -0.013 0.000 0.209 581 L C 2.759 179.778 176.870 0.248 0.000 1.083 581 L CA 1.747 56.680 54.840 0.154 0.000 0.752 581 L CB -1.038 41.171 42.059 0.250 0.000 0.899 581 L HN 0.587 nan 8.230 nan 0.000 0.433 582 H N 0.029 119.205 119.070 0.177 0.000 2.326 582 H HA -0.132 4.417 4.556 -0.013 0.000 0.301 582 H C 2.257 177.577 175.328 -0.014 0.000 1.081 582 H CA 1.876 57.947 56.048 0.039 0.000 1.334 582 H CB 0.300 30.010 29.762 -0.087 0.000 1.385 582 H HN 0.080 nan 8.280 nan 0.000 0.504 583 V N 1.668 121.498 119.914 -0.140 0.000 2.282 583 V HA -0.298 3.814 4.120 -0.013 0.000 0.249 583 V C 2.842 178.869 176.094 -0.111 0.000 1.057 583 V CA 2.065 64.253 62.300 -0.186 0.000 1.032 583 V CB -0.551 31.211 31.823 -0.102 0.000 0.645 583 V HN 0.397 nan 8.190 nan 0.000 0.447 584 I N -0.315 120.226 120.570 -0.048 0.000 2.315 584 I HA -0.207 3.955 4.170 -0.013 0.000 0.248 584 I C 2.497 178.668 176.117 0.089 0.000 1.117 584 I CA 1.677 63.016 61.300 0.065 0.000 1.404 584 I CB -0.708 37.305 38.000 0.022 0.000 1.071 584 I HN 0.325 nan 8.210 nan 0.000 0.419 585 T N 1.284 115.851 114.554 0.021 0.000 2.684 585 T HA -0.163 4.180 4.350 -0.013 0.000 0.267 585 T C 1.882 176.537 174.700 -0.076 0.000 1.036 585 T CA 1.260 63.365 62.100 0.007 0.000 1.148 585 T CB -0.270 68.633 68.868 0.058 0.000 0.863 585 T HN 0.078 nan 8.240 nan 0.000 0.436 586 L N 0.074 121.182 121.223 -0.192 0.000 2.017 586 L HA -0.021 4.311 4.340 -0.013 0.000 0.208 586 L C 2.108 178.938 176.870 -0.067 0.000 1.073 586 L CA 1.572 56.297 54.840 -0.192 0.000 0.745 586 L CB -1.098 40.772 42.059 -0.315 0.000 0.894 586 L HN 0.358 nan 8.230 nan 0.000 0.432 587 Y N 0.313 120.551 120.300 -0.104 0.000 2.128 587 Y HA -0.311 4.232 4.550 -0.013 0.000 0.284 587 Y C 2.463 178.344 175.900 -0.033 0.000 1.154 587 Y CA 1.937 60.014 58.100 -0.037 0.000 1.149 587 Y CB -0.123 38.362 38.460 0.041 0.000 0.976 587 Y HN 0.283 nan 8.280 nan 0.000 0.505 588 N N 0.432 119.093 118.700 -0.064 0.000 2.166 588 N HA -0.149 4.583 4.740 -0.013 0.000 0.186 588 N C 1.840 177.243 175.510 -0.179 0.000 1.019 588 N CA 1.544 54.496 53.050 -0.163 0.000 0.856 588 N CB -0.374 38.078 38.487 -0.059 0.000 0.993 588 N HN 0.441 nan 8.380 nan 0.000 0.426 589 R N 0.341 120.762 120.500 -0.133 0.000 2.092 589 R HA 0.065 4.397 4.340 -0.013 0.000 0.231 589 R C 2.217 178.431 176.300 -0.142 0.000 1.119 589 R CA 0.759 56.787 56.100 -0.121 0.000 0.970 589 R CB -0.232 30.007 30.300 -0.101 0.000 0.864 589 R HN 0.246 nan 8.270 nan 0.000 0.440 590 I N 0.914 121.378 120.570 -0.177 0.000 2.179 590 I HA -0.270 3.892 4.170 -0.013 0.000 0.242 590 I C 2.120 178.115 176.117 -0.203 0.000 1.088 590 I CA 1.188 62.381 61.300 -0.178 0.000 1.357 590 I CB -0.208 37.689 38.000 -0.172 0.000 1.051 590 I HN 0.008 nan 8.210 nan 0.000 0.409 591 K N 0.909 121.120 120.400 -0.314 0.000 2.152 591 K HA -0.217 4.096 4.320 -0.013 0.000 0.206 591 K C 2.017 178.515 176.600 -0.170 0.000 1.048 591 K CA 1.279 57.397 56.287 -0.282 0.000 0.933 591 K CB -0.319 31.936 32.500 -0.409 0.000 0.721 591 K HN 0.344 nan 8.250 nan 0.000 0.447 592 K N 0.979 121.288 120.400 -0.153 0.000 2.116 592 K HA -0.057 4.256 4.320 -0.013 0.000 0.203 592 K C 0.069 176.622 176.600 -0.080 0.000 1.052 592 K CA 0.925 57.149 56.287 -0.104 0.000 0.952 592 K CB 0.385 32.828 32.500 -0.096 0.000 0.729 592 K HN 0.047 nan 8.250 nan 0.000 0.446 593 E N 0.333 120.484 120.200 -0.082 0.000 3.037 593 E HA 0.119 4.462 4.350 -0.013 0.000 0.220 593 E C -2.321 174.243 176.600 -0.060 0.000 1.142 593 E CA -1.639 54.726 56.400 -0.059 0.000 0.888 593 E CB 1.701 31.373 29.700 -0.047 0.000 1.329 593 E HN 0.132 nan 8.360 nan 0.000 0.409 594 P HA -0.125 nan 4.420 nan 0.000 0.218 594 P C 0.290 177.571 177.300 -0.033 0.000 1.149 594 P CA 1.193 64.260 63.100 -0.056 0.000 0.817 594 P CB 0.212 31.884 31.700 -0.048 0.000 0.785 595 N N -1.311 117.379 118.700 -0.017 0.000 2.314 595 N HA 0.011 4.743 4.740 -0.013 0.000 0.200 595 N C 0.579 176.103 175.510 0.023 0.000 1.135 595 N CA -0.052 53.000 53.050 0.004 0.000 0.835 595 N CB 0.063 38.552 38.487 0.003 0.000 0.989 595 N HN -0.007 nan 8.380 nan 0.000 0.478 596 K N 1.139 121.547 120.400 0.013 0.000 2.174 596 K HA 0.137 4.449 4.320 -0.013 0.000 0.275 596 K C -0.874 175.764 176.600 0.064 0.000 1.015 596 K CA -0.525 55.785 56.287 0.038 0.000 0.933 596 K CB 0.623 33.126 32.500 0.005 0.000 1.025 596 K HN -0.039 nan 8.250 nan 0.000 0.463 597 F N 4.487 124.422 119.950 -0.025 0.000 2.456 597 F HA 0.225 4.744 4.527 -0.013 0.000 0.358 597 F C -0.364 175.420 175.800 -0.027 0.000 1.095 597 F CA -0.307 57.679 58.000 -0.023 0.000 1.216 597 F CB 0.615 39.605 39.000 -0.018 0.000 1.125 597 F HN 0.164 nan 8.300 nan 0.000 0.549 598 V N 4.360 123.717 119.914 -0.928 0.000 2.876 598 V HA 0.558 4.670 4.120 -0.013 0.000 0.312 598 V C -0.707 174.735 176.094 -1.088 0.000 1.085 598 V CA -1.195 60.641 62.300 -0.773 0.000 0.945 598 V CB 1.034 32.633 31.823 -0.374 0.000 1.017 598 V HN 0.589 nan 8.190 nan 0.000 0.428 599 V N 4.992 124.526 119.914 -0.633 0.000 2.493 599 V HA 0.187 4.300 4.120 -0.013 0.000 0.292 599 V C -1.829 174.095 176.094 -0.283 0.000 1.016 599 V CA -0.421 61.671 62.300 -0.347 0.000 1.097 599 V CB 0.332 32.087 31.823 -0.114 0.000 0.947 599 V HN 0.906 nan 8.190 nan 0.000 0.479 600 P HA 0.332 nan 4.420 nan 0.000 0.271 600 P C -0.411 176.805 177.300 -0.141 0.000 1.216 600 P CA -0.080 62.934 63.100 -0.143 0.000 0.771 600 P CB 0.546 32.210 31.700 -0.059 0.000 0.864 601 R N 1.159 121.588 120.500 -0.118 0.000 2.686 601 R HA 0.532 4.865 4.340 -0.013 0.000 0.283 601 R C -0.740 175.527 176.300 -0.056 0.000 0.978 601 R CA -0.620 55.414 56.100 -0.110 0.000 0.897 601 R CB 1.964 32.182 30.300 -0.136 0.000 1.192 601 R HN 0.313 nan 8.270 nan 0.000 0.457 602 T N 2.175 116.716 114.554 -0.022 0.000 2.770 602 T HA 0.235 4.577 4.350 -0.013 0.000 0.297 602 T C -0.197 174.424 174.700 -0.130 0.000 0.997 602 T CA -0.481 61.564 62.100 -0.092 0.000 0.949 602 T CB 1.177 69.927 68.868 -0.195 0.000 0.941 602 T HN 0.137 nan 8.240 nan 0.000 0.457 603 V N 5.972 125.816 119.914 -0.116 0.000 2.368 603 V HA 0.385 4.497 4.120 -0.013 0.000 0.266 603 V C 0.086 176.106 176.094 -0.124 0.000 1.045 603 V CA -0.403 61.833 62.300 -0.106 0.000 0.899 603 V CB 0.502 32.278 31.823 -0.078 0.000 1.006 603 V HN 0.861 nan 8.190 nan 0.000 0.470 604 M N 6.741 126.255 119.600 -0.143 0.000 2.227 604 M HA 0.616 5.088 4.480 -0.013 0.000 0.335 604 M C -0.951 175.244 176.300 -0.175 0.000 1.053 604 M CA -0.156 55.049 55.300 -0.159 0.000 0.973 604 M CB 1.891 34.390 32.600 -0.169 0.000 1.623 604 M HN 0.410 nan 8.290 nan 0.000 0.434 605 I N 1.940 122.388 120.570 -0.205 0.000 2.498 605 I HA 0.806 4.969 4.170 -0.013 0.000 0.290 605 I C 0.060 175.853 176.117 -0.539 0.000 1.032 605 I CA -0.617 60.532 61.300 -0.251 0.000 1.073 605 I CB 2.276 40.217 38.000 -0.098 0.000 1.251 605 I HN 0.806 nan 8.210 nan 0.000 0.426 606 G N 3.001 111.449 108.800 -0.588 0.000 2.660 606 G HA2 0.851 4.803 3.960 -0.013 0.000 0.294 606 G HA3 0.851 4.803 3.960 -0.013 0.000 0.294 606 G C -0.966 173.637 174.900 -0.495 0.000 1.369 606 G CA -0.797 43.810 45.100 -0.821 0.000 0.912 606 G HN 0.991 nan 8.290 nan 0.000 0.479 607 G N -0.448 108.207 108.800 -0.241 0.000 2.337 607 G HA2 0.381 4.333 3.960 -0.013 0.000 0.310 607 G HA3 0.381 4.333 3.960 -0.013 0.000 0.310 607 G C -1.272 173.757 174.900 0.214 0.000 1.534 607 G CA -1.043 44.093 45.100 0.059 0.000 0.982 607 G HN 0.604 nan 8.290 nan 0.000 0.672 608 K N -0.055 120.467 120.400 0.204 0.000 2.118 608 K HA 0.737 5.049 4.320 -0.013 0.000 0.267 608 K C 0.331 177.051 176.600 0.201 0.000 0.991 608 K CA -0.110 56.313 56.287 0.227 0.000 0.916 608 K CB 1.945 34.484 32.500 0.066 0.000 1.041 608 K HN 0.884 nan 8.250 nan 0.000 0.455 609 A N 1.539 124.507 122.820 0.247 0.000 2.312 609 A HA 0.634 4.947 4.320 -0.013 0.000 0.326 609 A C -0.430 177.311 177.584 0.262 0.000 1.172 609 A CA -0.727 51.389 52.037 0.132 0.000 0.821 609 A CB 0.998 19.998 19.000 -0.001 0.000 1.166 609 A HN 0.782 nan 8.150 nan 0.000 0.493 610 A N 3.479 126.431 122.820 0.220 0.000 2.511 610 A HA 0.462 4.775 4.320 -0.013 0.000 0.242 610 A C -1.395 176.264 177.584 0.125 0.000 1.069 610 A CA -0.773 51.403 52.037 0.230 0.000 0.763 610 A CB -0.369 18.742 19.000 0.185 0.000 1.001 610 A HN 0.598 nan 8.150 nan 0.000 0.498 611 P HA -0.149 nan 4.420 nan 0.000 0.216 611 P C 1.375 178.668 177.300 -0.011 0.000 1.150 611 P CA 2.017 65.057 63.100 -0.100 0.000 0.843 611 P CB 0.181 31.773 31.700 -0.179 0.000 0.787 612 G N -2.997 105.822 108.800 0.031 0.000 3.042 612 G HA2 -0.106 3.846 3.960 -0.013 0.000 0.212 612 G HA3 -0.106 3.846 3.960 -0.013 0.000 0.212 612 G C -0.112 174.838 174.900 0.083 0.000 1.166 612 G CA -0.137 44.987 45.100 0.040 0.000 0.767 612 G HN 0.312 nan 8.290 nan 0.000 0.546 613 Y N 1.617 121.877 120.300 -0.067 0.000 2.650 613 Y HA 0.190 4.732 4.550 -0.013 0.000 0.343 613 Y C 1.615 177.515 175.900 0.001 0.000 1.078 613 Y CA -1.059 56.990 58.100 -0.085 0.000 1.356 613 Y CB 0.166 38.539 38.460 -0.145 0.000 1.204 613 Y HN 0.273 nan 8.280 nan 0.000 0.508 614 H N 4.275 123.480 119.070 0.225 0.000 2.321 614 H HA -0.201 4.347 4.556 -0.013 0.000 0.300 614 H C 1.810 177.180 175.328 0.069 0.000 1.087 614 H CA 2.233 58.351 56.048 0.117 0.000 1.319 614 H CB 0.393 30.217 29.762 0.104 0.000 1.379 614 H HN 0.734 nan 8.280 nan 0.000 0.501 615 M N 1.024 120.670 119.600 0.077 0.000 2.117 615 M HA -0.081 4.391 4.480 -0.013 0.000 0.262 615 M C 2.523 178.616 176.300 -0.346 0.000 1.065 615 M CA 1.824 57.076 55.300 -0.080 0.000 1.114 615 M CB -0.678 32.003 32.600 0.135 0.000 1.361 615 M HN 0.330 nan 8.290 nan 0.000 0.408 616 A N -0.558 121.809 122.820 -0.755 0.000 1.972 616 A HA -0.178 4.134 4.320 -0.013 0.000 0.219 616 A C 2.190 179.566 177.584 -0.346 0.000 1.169 616 A CA 1.770 53.375 52.037 -0.719 0.000 0.635 616 A CB -0.624 17.699 19.000 -1.128 0.000 0.810 616 A HN 0.581 nan 8.150 nan 0.000 0.446 617 K N -1.147 119.104 120.400 -0.249 0.000 2.097 617 K HA -0.040 4.273 4.320 -0.013 0.000 0.205 617 K C 1.917 178.462 176.600 -0.091 0.000 1.050 617 K CA 1.212 57.436 56.287 -0.104 0.000 0.938 617 K CB -0.201 32.296 32.500 -0.004 0.000 0.718 617 K HN 0.330 nan 8.250 nan 0.000 0.442 618 M N 0.555 120.060 119.600 -0.158 0.000 2.175 618 M HA -0.089 4.384 4.480 -0.013 0.000 0.264 618 M C 2.100 178.338 176.300 -0.102 0.000 1.063 618 M CA 1.429 56.677 55.300 -0.087 0.000 1.119 618 M CB -0.647 31.897 32.600 -0.092 0.000 1.377 618 M HN 0.121 nan 8.290 nan 0.000 0.415 619 I N -0.238 120.234 120.570 -0.163 0.000 2.226 619 I HA -0.301 3.861 4.170 -0.013 0.000 0.245 619 I C 2.293 178.280 176.117 -0.218 0.000 1.100 619 I CA 1.066 62.257 61.300 -0.182 0.000 1.374 619 I CB -0.329 37.563 38.000 -0.179 0.000 1.057 619 I HN 0.168 nan 8.210 nan 0.000 0.413 620 I N 0.658 121.078 120.570 -0.251 0.000 2.179 620 I HA -0.317 3.845 4.170 -0.013 0.000 0.242 620 I C 2.618 178.448 176.117 -0.478 0.000 1.088 620 I CA 1.305 62.355 61.300 -0.416 0.000 1.357 620 I CB -0.312 37.411 38.000 -0.461 0.000 1.051 620 I HN 0.156 nan 8.210 nan 0.000 0.409 621 K N 1.517 121.653 120.400 -0.440 0.000 2.063 621 K HA -0.176 4.136 4.320 -0.013 0.000 0.208 621 K C 2.059 178.499 176.600 -0.267 0.000 1.048 621 K CA 1.581 57.537 56.287 -0.551 0.000 0.928 621 K CB -0.668 31.248 32.500 -0.975 0.000 0.713 621 K HN 0.224 nan 8.250 nan 0.000 0.442 622 L N 0.450 121.549 121.223 -0.207 0.000 2.013 622 L HA -0.213 4.120 4.340 -0.013 0.000 0.212 622 L C 2.237 178.874 176.870 -0.389 0.000 1.073 622 L CA 1.922 56.469 54.840 -0.488 0.000 0.753 622 L CB -0.338 41.348 42.059 -0.622 0.000 0.890 622 L HN 0.296 nan 8.230 nan 0.000 0.432 623 I N -0.280 120.114 120.570 -0.292 0.000 2.179 623 I HA -0.329 3.833 4.170 -0.013 0.000 0.242 623 I C 2.635 178.654 176.117 -0.163 0.000 1.088 623 I CA 1.895 63.077 61.300 -0.196 0.000 1.357 623 I CB -0.585 37.380 38.000 -0.058 0.000 1.051 623 I HN 0.435 nan 8.210 nan 0.000 0.409 624 T N -0.833 113.596 114.554 -0.208 0.000 2.821 624 T HA -0.068 4.274 4.350 -0.013 0.000 0.267 624 T C 2.000 176.640 174.700 -0.101 0.000 1.046 624 T CA 0.927 62.935 62.100 -0.153 0.000 1.139 624 T CB -0.493 68.239 68.868 -0.227 0.000 0.871 624 T HN 0.333 nan 8.240 nan 0.000 0.454 625 A N 1.444 124.201 122.820 -0.106 0.000 1.933 625 A HA 0.135 4.447 4.320 -0.013 0.000 0.218 625 A C 2.363 179.972 177.584 0.041 0.000 1.175 625 A CA 1.286 53.330 52.037 0.011 0.000 0.628 625 A CB -0.818 18.281 19.000 0.166 0.000 0.814 625 A HN 0.599 nan 8.150 nan 0.000 0.444 626 I N -0.350 120.146 120.570 -0.122 0.000 2.202 626 I HA -0.179 3.983 4.170 -0.013 0.000 0.242 626 I C 2.734 178.823 176.117 -0.047 0.000 1.091 626 I CA 1.098 62.318 61.300 -0.133 0.000 1.368 626 I CB -0.651 37.144 38.000 -0.341 0.000 1.058 626 I HN 0.379 nan 8.210 nan 0.000 0.410 627 G N 0.524 109.287 108.800 -0.062 0.000 2.476 627 G HA2 -0.284 3.669 3.960 -0.013 0.000 0.218 627 G HA3 -0.284 3.669 3.960 -0.013 0.000 0.218 627 G C 1.270 176.173 174.900 0.005 0.000 1.164 627 G CA 1.129 46.202 45.100 -0.044 0.000 0.768 627 G HN 0.283 nan 8.290 nan 0.000 0.560 628 D N -0.085 120.350 120.400 0.059 0.000 2.182 628 D HA -0.088 4.545 4.640 -0.013 0.000 0.201 628 D C 2.675 179.072 176.300 0.161 0.000 0.986 628 D CA 0.770 54.858 54.000 0.147 0.000 0.847 628 D CB -0.141 40.700 40.800 0.068 0.000 0.942 628 D HN 0.271 nan 8.370 nan 0.000 0.467 629 V N -0.067 119.878 119.914 0.051 0.000 2.374 629 V HA -0.110 4.002 4.120 -0.013 0.000 0.241 629 V C 2.560 178.605 176.094 -0.083 0.000 1.034 629 V CA 0.632 62.902 62.300 -0.050 0.000 1.037 629 V CB -0.194 31.533 31.823 -0.160 0.000 0.682 629 V HN 0.018 nan 8.190 nan 0.000 0.463 630 V N 1.018 120.837 119.914 -0.159 0.000 2.358 630 V HA -0.193 3.919 4.120 -0.013 0.000 0.246 630 V C 2.183 178.242 176.094 -0.058 0.000 1.047 630 V CA 2.010 64.215 62.300 -0.158 0.000 1.035 630 V CB -0.838 30.888 31.823 -0.162 0.000 0.658 630 V HN 0.558 nan 8.190 nan 0.000 0.452 631 N N -0.281 118.332 118.700 -0.146 0.000 2.459 631 N HA -0.089 4.643 4.740 -0.013 0.000 0.181 631 N C 1.223 176.468 175.510 -0.442 0.000 1.046 631 N CA 0.959 53.825 53.050 -0.307 0.000 0.904 631 N CB -0.264 37.963 38.487 -0.433 0.000 0.964 631 N HN 0.688 nan 8.380 nan 0.000 0.444 632 H N -1.531 117.544 119.070 0.008 0.000 2.674 632 H HA 0.208 4.756 4.556 -0.012 0.000 0.274 632 H C -0.523 174.819 175.328 0.024 0.000 1.121 632 H CA -0.494 55.558 56.048 0.008 0.000 1.132 632 H CB 0.600 30.357 29.762 -0.008 0.000 1.606 632 H HN -0.020 nan 8.280 nan 0.000 0.558 633 D N 2.480 122.953 120.400 0.122 0.000 2.339 633 D HA 0.022 4.654 4.640 -0.013 0.000 0.241 633 D C -1.407 174.948 176.300 0.091 0.000 1.183 633 D CA -2.052 52.030 54.000 0.137 0.000 0.859 633 D CB 1.652 42.607 40.800 0.258 0.000 1.067 633 D HN 0.155 nan 8.370 nan 0.000 0.484 634 P HA -0.118 nan 4.420 nan 0.000 0.220 634 P C 1.550 178.867 177.300 0.029 0.000 1.148 634 P CA 0.368 63.492 63.100 0.041 0.000 0.803 634 P CB 0.495 32.215 31.700 0.032 0.000 0.782 635 V N 0.029 119.961 119.914 0.030 0.000 2.515 635 V HA -0.155 3.957 4.120 -0.013 0.000 0.250 635 V C 2.767 178.861 176.094 0.000 0.000 1.058 635 V CA 1.392 63.696 62.300 0.007 0.000 1.064 635 V CB -0.993 30.824 31.823 -0.010 0.000 0.675 635 V HN -0.043 nan 8.190 nan 0.000 0.461 636 V N -0.165 119.766 119.914 0.028 0.000 2.358 636 V HA 0.100 4.213 4.120 -0.013 0.000 0.246 636 V C 1.758 177.857 176.094 0.008 0.000 1.047 636 V CA 1.565 63.882 62.300 0.027 0.000 1.035 636 V CB -1.204 30.683 31.823 0.107 0.000 0.658 636 V HN 0.749 nan 8.190 nan 0.000 0.452 637 G N 1.533 110.341 108.800 0.014 0.000 2.550 637 G HA2 -0.344 3.608 3.960 -0.013 0.000 0.277 637 G HA3 -0.344 3.608 3.960 -0.013 0.000 0.277 637 G C 0.238 175.137 174.900 -0.001 0.000 1.190 637 G CA 0.366 45.469 45.100 0.005 0.000 0.971 637 G HN 0.663 nan 8.290 nan 0.000 0.559 638 D N 0.333 120.732 120.400 -0.001 0.000 2.395 638 D HA 0.175 4.808 4.640 -0.013 0.000 0.226 638 D C 1.766 178.060 176.300 -0.010 0.000 1.146 638 D CA 0.016 54.016 54.000 0.000 0.000 0.830 638 D CB -0.083 40.726 40.800 0.016 0.000 0.958 638 D HN 0.590 nan 8.370 nan 0.000 0.501 639 R N -0.708 119.776 120.500 -0.027 0.000 2.200 639 R HA 0.206 4.538 4.340 -0.013 0.000 0.208 639 R C -0.070 176.190 176.300 -0.067 0.000 1.033 639 R CA 0.215 56.277 56.100 -0.063 0.000 1.000 639 R CB 0.333 30.579 30.300 -0.090 0.000 0.906 639 R HN 0.109 nan 8.270 nan 0.000 0.462 640 L N 0.599 121.799 121.223 -0.039 0.000 2.505 640 L HA 0.385 4.717 4.340 -0.013 0.000 0.266 640 L C -1.604 175.246 176.870 -0.034 0.000 0.954 640 L CA -0.482 54.335 54.840 -0.039 0.000 0.852 640 L CB 1.815 43.864 42.059 -0.017 0.000 1.282 640 L HN -0.184 nan 8.230 nan 0.000 0.403 641 R N 3.889 124.358 120.500 -0.052 0.000 2.628 641 R HA 0.769 5.102 4.340 -0.013 0.000 0.288 641 R C -1.653 174.600 176.300 -0.079 0.000 0.980 641 R CA -0.774 55.286 56.100 -0.066 0.000 0.891 641 R CB 2.421 32.684 30.300 -0.061 0.000 1.188 641 R HN 0.406 nan 8.270 nan 0.000 0.450 642 V N 4.891 124.756 119.914 -0.081 0.000 2.407 642 V HA 0.488 4.601 4.120 -0.013 0.000 0.291 642 V C -0.280 175.777 176.094 -0.061 0.000 1.018 642 V CA -0.710 61.544 62.300 -0.076 0.000 0.842 642 V CB 1.589 33.364 31.823 -0.079 0.000 0.996 642 V HN 0.544 nan 8.190 nan 0.000 0.426 643 I N 4.869 125.402 120.570 -0.062 0.000 2.436 643 I HA 0.431 4.594 4.170 -0.013 0.000 0.289 643 I C -0.630 175.477 176.117 -0.018 0.000 1.010 643 I CA -0.331 60.943 61.300 -0.044 0.000 1.098 643 I CB 1.901 39.852 38.000 -0.083 0.000 1.266 643 I HN 0.555 nan 8.210 nan 0.000 0.434 644 F N 7.253 127.139 119.950 -0.107 0.000 2.421 644 F HA 0.436 4.956 4.527 -0.012 0.000 0.358 644 F C -0.470 175.261 175.800 -0.114 0.000 1.115 644 F CA -0.574 57.363 58.000 -0.105 0.000 1.160 644 F CB 0.579 39.520 39.000 -0.098 0.000 1.123 644 F HN 0.168 nan 8.300 nan 0.000 0.508 645 L N 6.267 127.106 121.223 -0.640 0.000 2.342 645 L HA 0.150 4.483 4.340 -0.013 0.000 0.285 645 L C 0.298 176.900 176.870 -0.447 0.000 1.095 645 L CA 0.109 54.686 54.840 -0.438 0.000 0.843 645 L CB 0.146 42.031 42.059 -0.290 0.000 1.201 645 L HN 0.607 nan 8.230 nan 0.000 0.445 646 E N 3.484 123.556 120.200 -0.214 0.000 2.373 646 E HA -0.019 4.324 4.350 -0.013 0.000 0.267 646 E C 0.452 177.102 176.600 0.082 0.000 1.032 646 E CA -0.242 56.176 56.400 0.031 0.000 0.889 646 E CB 0.335 30.047 29.700 0.021 0.000 0.984 646 E HN 0.549 nan 8.360 nan 0.000 0.425 647 N N 2.486 121.296 118.700 0.184 0.000 2.740 647 N HA -0.277 4.456 4.740 -0.013 0.000 0.248 647 N C -1.532 174.071 175.510 0.155 0.000 1.062 647 N CA 0.561 53.718 53.050 0.179 0.000 0.704 647 N CB -1.725 36.884 38.487 0.204 0.000 0.968 647 N HN 0.511 nan 8.380 nan 0.000 0.547 648 Y N 1.584 121.892 120.300 0.014 0.000 2.717 648 Y HA 0.182 4.725 4.550 -0.013 0.000 0.330 648 Y C 1.145 177.065 175.900 0.034 0.000 1.217 648 Y CA 0.777 58.876 58.100 -0.002 0.000 1.506 648 Y CB 0.324 38.750 38.460 -0.057 0.000 1.268 648 Y HN 0.373 nan 8.280 nan 0.000 0.561 649 R N 2.359 122.501 120.500 -0.598 0.000 2.756 649 R HA 0.404 4.736 4.340 -0.013 0.000 0.273 649 R C -0.595 175.380 176.300 -0.542 0.000 1.030 649 R CA -0.561 55.287 56.100 -0.420 0.000 0.887 649 R CB 0.257 30.496 30.300 -0.102 0.000 1.274 649 R HN 0.362 nan 8.270 nan 0.000 0.461 650 V N 1.105 120.750 119.914 -0.448 0.000 2.287 650 V HA -0.292 3.821 4.120 -0.013 0.000 0.248 650 V C 2.602 178.575 176.094 -0.202 0.000 1.053 650 V CA 2.848 64.941 62.300 -0.345 0.000 1.027 650 V CB -0.831 30.767 31.823 -0.375 0.000 0.646 650 V HN 0.921 nan 8.190 nan 0.000 0.447 651 S N -0.023 115.578 115.700 -0.165 0.000 2.399 651 S HA -0.184 4.278 4.470 -0.013 0.000 0.231 651 S C 1.926 176.478 174.600 -0.081 0.000 1.022 651 S CA 1.704 59.834 58.200 -0.117 0.000 0.983 651 S CB -0.521 62.636 63.200 -0.071 0.000 0.803 651 S HN 0.391 nan 8.310 nan 0.000 0.480 652 L N 1.853 123.040 121.223 -0.060 0.000 2.109 652 L HA 0.321 4.654 4.340 -0.013 0.000 0.207 652 L C 2.729 179.633 176.870 0.058 0.000 1.086 652 L CA 1.366 56.227 54.840 0.035 0.000 0.760 652 L CB -1.223 40.917 42.059 0.135 0.000 0.910 652 L HN 0.356 nan 8.230 nan 0.000 0.437 653 A N -0.644 122.176 122.820 0.000 0.000 1.908 653 A HA -0.260 4.052 4.320 -0.013 0.000 0.218 653 A C 2.135 179.795 177.584 0.127 0.000 1.181 653 A CA 1.966 54.084 52.037 0.135 0.000 0.627 653 A CB -0.644 18.420 19.000 0.107 0.000 0.818 653 A HN 0.591 nan 8.150 nan 0.000 0.445 654 E N -0.525 119.724 120.200 0.081 0.000 2.265 654 E HA -0.157 4.186 4.350 -0.013 0.000 0.196 654 E C 1.890 178.464 176.600 -0.044 0.000 0.996 654 E CA 1.179 57.578 56.400 -0.002 0.000 0.832 654 E CB -0.045 29.553 29.700 -0.170 0.000 0.756 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N -0.043 120.323 120.400 -0.057 0.000 2.141 655 K HA 0.030 4.342 4.320 -0.013 0.000 0.202 655 K C 2.126 178.604 176.600 -0.203 0.000 1.045 655 K CA 0.421 56.671 56.287 -0.061 0.000 0.971 655 K CB 0.071 32.540 32.500 -0.051 0.000 0.795 655 K HN -0.049 nan 8.250 nan 0.000 0.459 656 V N 1.767 121.478 119.914 -0.339 0.000 2.535 656 V HA -0.110 4.002 4.120 -0.013 0.000 0.246 656 V C 1.882 177.741 176.094 -0.393 0.000 1.045 656 V CA 1.127 62.986 62.300 -0.736 0.000 1.058 656 V CB -0.136 31.338 31.823 -0.582 0.000 0.689 656 V HN 0.230 nan 8.190 nan 0.000 0.461 657 I N 0.834 121.225 120.570 -0.300 0.000 2.127 657 I HA -0.145 4.017 4.170 -0.013 0.000 0.241 657 I C -0.220 175.771 176.117 -0.210 0.000 1.075 657 I CA 1.751 62.791 61.300 -0.433 0.000 1.334 657 I CB -1.586 36.035 38.000 -0.633 0.000 1.040 657 I HN 0.359 nan 8.210 nan 0.000 0.405 658 P HA -0.140 nan 4.420 nan 0.000 0.221 658 P C 1.011 178.305 177.300 -0.010 0.000 1.145 658 P CA 1.366 64.440 63.100 -0.042 0.000 0.795 658 P CB -0.013 31.673 31.700 -0.023 0.000 0.775 659 A N -1.129 121.669 122.820 -0.037 0.000 2.218 659 A HA 0.428 4.740 4.320 -0.013 0.000 0.209 659 A C 1.227 178.911 177.584 0.166 0.000 1.168 659 A CA 0.227 52.297 52.037 0.055 0.000 0.804 659 A CB -0.694 18.326 19.000 0.033 0.000 0.834 659 A HN 0.210 nan 8.150 nan 0.000 0.482 660 A N 0.021 122.934 122.820 0.156 0.000 2.354 660 A HA 0.470 4.782 4.320 -0.013 0.000 0.269 660 A C 0.336 178.072 177.584 0.252 0.000 1.109 660 A CA -0.208 51.989 52.037 0.267 0.000 0.800 660 A CB 0.345 19.596 19.000 0.418 0.000 1.045 660 A HN 0.273 nan 8.150 nan 0.000 0.489 661 D N 0.670 121.223 120.400 0.255 0.000 2.338 661 D HA 0.105 4.737 4.640 -0.013 0.000 0.224 661 D C 0.123 176.647 176.300 0.372 0.000 0.967 661 D CA 0.824 55.029 54.000 0.342 0.000 0.896 661 D CB 0.261 41.185 40.800 0.207 0.000 1.028 661 D HN 0.373 nan 8.370 nan 0.000 0.493 662 L N 0.930 122.262 121.223 0.182 0.000 2.356 662 L HA 0.297 4.630 4.340 -0.013 0.000 0.277 662 L C -0.865 175.914 176.870 -0.151 0.000 0.996 662 L CA -0.329 54.545 54.840 0.058 0.000 0.822 662 L CB 2.142 44.209 42.059 0.013 0.000 1.256 662 L HN -0.188 nan 8.230 nan 0.000 0.413 663 S N 4.182 119.709 115.700 -0.289 0.000 2.438 663 S HA 0.338 4.800 4.470 -0.013 0.000 0.316 663 S C -0.452 173.902 174.600 -0.410 0.000 1.084 663 S CA -0.691 57.094 58.200 -0.691 0.000 1.107 663 S CB 0.671 63.386 63.200 -0.810 0.000 0.981 663 S HN 0.551 nan 8.310 nan 0.000 0.466 664 E N 4.125 124.090 120.200 -0.391 0.000 2.089 664 E HA 0.201 4.543 4.350 -0.013 0.000 0.284 664 E C -0.526 175.968 176.600 -0.176 0.000 1.023 664 E CA -0.401 55.889 56.400 -0.184 0.000 0.819 664 E CB 0.936 30.556 29.700 -0.133 0.000 1.076 664 E HN 0.597 nan 8.360 nan 0.000 0.396 665 Q N 2.800 122.551 119.800 -0.082 0.000 2.965 665 Q HA 0.270 4.602 4.340 -0.013 0.000 0.288 665 Q C 0.597 176.575 176.000 -0.037 0.000 0.974 665 Q CA -0.135 55.625 55.803 -0.073 0.000 0.849 665 Q CB 0.189 28.894 28.738 -0.056 0.000 1.280 665 Q HN 0.612 nan 8.270 nan 0.000 0.441 666 I N -1.753 118.782 120.570 -0.059 0.000 3.654 666 I HA 0.278 4.440 4.170 -0.013 0.000 0.337 666 I C 0.360 176.414 176.117 -0.104 0.000 1.568 666 I CA -0.694 60.578 61.300 -0.046 0.000 1.115 666 I CB 0.477 38.461 38.000 -0.027 0.000 1.300 666 I HN -0.012 nan 8.210 nan 0.000 0.471 667 S N 0.366 116.006 115.700 -0.100 0.000 2.573 667 S HA 0.190 4.652 4.470 -0.013 0.000 0.277 667 S C 0.580 175.152 174.600 -0.046 0.000 1.346 667 S CA -0.282 57.878 58.200 -0.066 0.000 1.034 667 S CB 0.314 63.523 63.200 0.015 0.000 0.879 667 S HN 0.393 nan 8.310 nan 0.000 0.528 668 T N 2.716 117.277 114.554 0.013 0.000 2.908 668 T HA 0.368 4.710 4.350 -0.013 0.000 0.301 668 T C 0.758 175.463 174.700 0.009 0.000 1.019 668 T CA 0.243 62.359 62.100 0.027 0.000 1.152 668 T CB -0.043 68.911 68.868 0.144 0.000 0.966 668 T HN 1.014 nan 8.240 nan 0.000 0.540 669 A N 2.743 125.538 122.820 -0.043 0.000 2.580 669 A HA 0.445 4.758 4.320 -0.013 0.000 0.244 669 A C 1.637 179.211 177.584 -0.016 0.000 1.045 669 A CA 0.287 52.295 52.037 -0.048 0.000 0.761 669 A CB -0.924 18.036 19.000 -0.067 0.000 0.962 669 A HN 1.761 nan 8.150 nan 0.000 0.512 670 G N 1.451 110.241 108.800 -0.017 0.000 2.159 670 G HA2 -0.227 3.725 3.960 -0.013 0.000 0.227 670 G HA3 -0.227 3.725 3.960 -0.013 0.000 0.227 670 G C 0.793 175.682 174.900 -0.018 0.000 0.986 670 G CA 1.124 46.217 45.100 -0.012 0.000 0.651 670 G HN 1.987 nan 8.290 nan 0.000 0.523 671 T N -2.666 111.875 114.554 -0.022 0.000 3.026 671 T HA 0.407 4.749 4.350 -0.013 0.000 0.245 671 T C 0.737 175.299 174.700 -0.230 0.000 1.004 671 T CA 1.001 63.031 62.100 -0.116 0.000 1.069 671 T CB 0.531 69.384 68.868 -0.025 0.000 1.005 671 T HN 0.276 nan 8.240 nan 0.000 0.472 672 E N 1.657 121.847 120.200 -0.016 0.000 2.052 672 E HA 0.653 4.995 4.350 -0.013 0.000 0.283 672 E C 1.172 177.723 176.600 -0.081 0.000 1.071 672 E CA 0.108 56.536 56.400 0.046 0.000 0.851 672 E CB 0.786 30.564 29.700 0.131 0.000 1.066 672 E HN 0.370 nan 8.360 nan 0.000 0.396 673 A N 3.442 126.137 122.820 -0.208 0.000 1.892 673 A HA -0.217 4.095 4.320 -0.013 0.000 0.218 673 A C 2.003 179.463 177.584 -0.207 0.000 1.188 673 A CA 2.259 54.041 52.037 -0.425 0.000 0.631 673 A CB -0.290 18.188 19.000 -0.869 0.000 0.822 673 A HN 0.606 nan 8.150 nan 0.000 0.447 674 S N -3.816 111.818 115.700 -0.112 0.000 3.624 674 S HA 0.451 4.914 4.470 -0.013 0.000 0.244 674 S C 0.746 175.330 174.600 -0.027 0.000 1.115 674 S CA 1.448 59.626 58.200 -0.036 0.000 0.820 674 S CB -0.143 63.058 63.200 0.002 0.000 0.964 674 S HN 2.261 nan 8.310 nan 0.000 0.508 675 G N 0.412 109.204 108.800 -0.013 0.000 2.722 675 G HA2 -0.090 3.862 3.960 -0.013 0.000 0.686 675 G HA3 -0.090 3.862 3.960 -0.013 0.000 0.686 675 G C 0.274 175.155 174.900 -0.032 0.000 1.282 675 G CA 0.464 45.554 45.100 -0.016 0.000 0.817 675 G HN 1.293 nan 8.290 nan 0.000 0.605 676 T N -1.760 112.764 114.554 -0.050 0.000 3.010 676 T HA 0.382 4.725 4.350 -0.013 0.000 0.253 676 T C 2.441 177.046 174.700 -0.158 0.000 0.939 676 T CA 1.270 63.312 62.100 -0.096 0.000 0.910 676 T CB 0.206 69.012 68.868 -0.103 0.000 1.226 676 T HN 1.913 nan 8.240 nan 0.000 0.508 677 G N 3.285 112.018 108.800 -0.112 0.000 2.469 677 G HA2 -0.332 3.620 3.960 -0.013 0.000 0.219 677 G HA3 -0.332 3.620 3.960 -0.013 0.000 0.219 677 G C 1.473 176.429 174.900 0.094 0.000 1.150 677 G CA 1.337 46.401 45.100 -0.059 0.000 0.763 677 G HN 0.842 nan 8.290 nan 0.000 0.561 678 N N -0.074 118.655 118.700 0.048 0.000 2.091 678 N HA -0.122 4.610 4.740 -0.013 0.000 0.193 678 N C 1.452 176.966 175.510 0.007 0.000 1.021 678 N CA 0.729 53.803 53.050 0.040 0.000 0.862 678 N CB -0.348 38.114 38.487 -0.043 0.000 1.018 678 N HN 0.353 nan 8.380 nan 0.000 0.429 682 M N 0.246 119.926 119.600 0.133 0.000 2.117 682 M HA -0.130 4.342 4.480 -0.013 0.000 0.262 682 M C 1.961 178.308 176.300 0.078 0.000 1.065 682 M CA 1.755 57.101 55.300 0.075 0.000 1.114 682 M CB -0.042 32.604 32.600 0.077 0.000 1.361 682 M HN 0.306 nan 8.290 nan 0.000 0.408 683 L N 0.656 121.926 121.223 0.078 0.000 2.291 683 L HA -0.069 4.264 4.340 -0.013 0.000 0.214 683 L C 1.300 178.211 176.870 0.067 0.000 1.120 683 L CA 1.570 56.462 54.840 0.088 0.000 0.799 683 L CB -0.586 41.536 42.059 0.105 0.000 0.925 683 L HN 0.340 nan 8.230 nan 0.000 0.446 684 N N -0.411 118.319 118.700 0.049 0.000 2.214 684 N HA 0.177 4.909 4.740 -0.013 0.000 0.214 684 N C 0.840 176.378 175.510 0.048 0.000 1.132 684 N CA 0.783 53.855 53.050 0.036 0.000 0.856 684 N CB 0.679 39.165 38.487 -0.003 0.000 1.020 684 N HN 0.376 nan 8.380 nan 0.000 0.509 685 G N 0.626 109.458 108.800 0.054 0.000 2.142 685 G HA2 -0.188 3.764 3.960 -0.013 0.000 0.225 685 G HA3 -0.188 3.764 3.960 -0.013 0.000 0.225 685 G C -0.027 174.929 174.900 0.095 0.000 1.015 685 G CA 0.116 45.246 45.100 0.051 0.000 0.716 685 G HN 0.504 nan 8.290 nan 0.000 0.508 686 A N -0.248 122.638 122.820 0.111 0.000 2.312 686 A HA 0.880 5.192 4.320 -0.013 0.000 0.328 686 A C 0.430 178.003 177.584 -0.019 0.000 1.158 686 A CA -0.611 51.510 52.037 0.140 0.000 0.821 686 A CB 0.982 20.138 19.000 0.260 0.000 1.170 686 A HN 0.718 nan 8.150 nan 0.000 0.490 687 L N 0.826 122.001 121.223 -0.081 0.000 2.421 687 L HA 0.437 4.769 4.340 -0.013 0.000 0.263 687 L C 0.189 176.947 176.870 -0.187 0.000 1.122 687 L CA -0.325 54.363 54.840 -0.253 0.000 0.804 687 L CB 1.451 43.278 42.059 -0.388 0.000 1.150 687 L HN 0.680 nan 8.230 nan 0.000 0.457 688 T N 2.796 117.146 114.554 -0.340 0.000 2.779 688 T HA 0.444 4.787 4.350 -0.013 0.000 0.280 688 T C -0.360 174.349 174.700 0.016 0.000 0.987 688 T CA -0.254 61.700 62.100 -0.244 0.000 0.966 688 T CB 1.385 70.027 68.868 -0.377 0.000 0.933 688 T HN 0.342 nan 8.240 nan 0.000 0.442 689 I N 3.109 123.726 120.570 0.079 0.000 2.336 689 I HA 0.708 4.870 4.170 -0.013 0.000 0.292 689 I C 0.172 176.463 176.117 0.289 0.000 0.991 689 I CA 0.160 61.599 61.300 0.231 0.000 1.227 689 I CB 0.352 38.415 38.000 0.106 0.000 1.366 689 I HN 0.781 nan 8.210 nan 0.000 0.466 690 G N 3.966 112.999 108.800 0.388 0.000 2.601 690 G HA2 0.418 4.371 3.960 -0.013 0.000 0.291 690 G HA3 0.418 4.371 3.960 -0.013 0.000 0.291 690 G C -0.895 173.917 174.900 -0.147 0.000 1.456 690 G CA -0.408 44.799 45.100 0.179 0.000 0.804 690 G HN 0.605 nan 8.290 nan 0.000 0.499 691 T N -1.222 113.113 114.554 -0.365 0.000 2.849 691 T HA 0.494 4.836 4.350 -0.013 0.000 0.284 691 T C 0.801 175.371 174.700 -0.216 0.000 1.004 691 T CA -0.642 61.178 62.100 -0.467 0.000 1.021 691 T CB 1.053 69.664 68.868 -0.429 0.000 1.013 691 T HN 0.273 nan 8.240 nan 0.000 0.527 692 M N 2.872 122.360 119.600 -0.188 0.000 3.442 692 M HA 0.306 4.779 4.480 -0.013 0.000 0.232 692 M C -0.434 175.806 176.300 -0.100 0.000 1.508 692 M CA -0.000 55.227 55.300 -0.122 0.000 1.647 692 M CB -1.778 30.762 32.600 -0.101 0.000 1.126 692 M HN 0.736 nan 8.290 nan 0.000 0.557 693 D N -0.032 120.314 120.400 -0.091 0.000 2.671 693 D HA 0.671 5.303 4.640 -0.013 0.000 0.232 693 D C 0.715 176.986 176.300 -0.049 0.000 1.114 693 D CA 0.726 54.689 54.000 -0.063 0.000 0.858 693 D CB 1.713 42.477 40.800 -0.060 0.000 1.544 693 D HN 0.598 nan 8.370 nan 0.000 0.471 694 G N 1.799 110.580 108.800 -0.031 0.000 2.627 694 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.312 694 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.312 694 G C 1.041 175.926 174.900 -0.025 0.000 1.299 694 G CA 1.170 46.255 45.100 -0.024 0.000 0.989 694 G HN 1.069 nan 8.290 nan 0.000 0.547 695 A N -0.320 122.477 122.820 -0.037 0.000 2.167 695 A HA 0.112 4.425 4.320 -0.013 0.000 0.214 695 A C 2.108 179.617 177.584 -0.126 0.000 1.151 695 A CA 1.775 53.781 52.037 -0.051 0.000 0.735 695 A CB -0.442 18.513 19.000 -0.075 0.000 0.802 695 A HN 0.630 nan 8.150 nan 0.000 0.467 696 N N 0.639 119.271 118.700 -0.113 0.000 2.091 696 N HA -0.168 4.564 4.740 -0.013 0.000 0.193 696 N C 1.591 176.976 175.510 -0.209 0.000 1.021 696 N CA 1.675 54.649 53.050 -0.128 0.000 0.862 696 N CB -0.663 37.786 38.487 -0.064 0.000 1.018 696 N HN 0.296 nan 8.380 nan 0.000 0.429 697 V N 1.222 121.054 119.914 -0.138 0.000 2.295 697 V HA -0.212 3.900 4.120 -0.013 0.000 0.246 697 V C 1.994 178.015 176.094 -0.122 0.000 1.049 697 V CA 1.707 63.928 62.300 -0.131 0.000 1.024 697 V CB -0.494 31.285 31.823 -0.074 0.000 0.648 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.598 119.581 120.200 -0.035 0.000 2.152 698 E HA -0.131 4.211 4.350 -0.013 0.000 0.192 698 E C 2.221 178.926 176.600 0.176 0.000 0.983 698 E CA 1.037 57.493 56.400 0.093 0.000 0.818 698 E CB -0.190 29.651 29.700 0.236 0.000 0.758 698 E HN 0.535 nan 8.360 nan 0.000 0.467 699 M N 0.589 120.178 119.600 -0.018 0.000 2.067 699 M HA -0.173 4.300 4.480 -0.013 0.000 0.260 699 M C 2.519 178.514 176.300 -0.508 0.000 1.069 699 M CA 1.675 56.877 55.300 -0.163 0.000 1.117 699 M CB -0.253 32.148 32.600 -0.331 0.000 1.334 699 M HN 0.145 nan 8.290 nan 0.000 0.407 700 A N -0.164 122.075 122.820 -0.970 0.000 1.933 700 A HA -0.225 4.087 4.320 -0.013 0.000 0.218 700 A C 1.983 179.338 177.584 -0.382 0.000 1.175 700 A CA 1.998 53.410 52.037 -1.041 0.000 0.628 700 A CB -0.847 17.678 19.000 -0.791 0.000 0.814 700 A HN 0.602 nan 8.150 nan 0.000 0.444 701 E N -0.373 119.691 120.200 -0.226 0.000 2.077 701 E HA -0.226 4.116 4.350 -0.013 0.000 0.193 701 E C 1.802 178.371 176.600 -0.053 0.000 0.989 701 E CA 1.329 57.667 56.400 -0.103 0.000 0.800 701 E CB -0.086 29.576 29.700 -0.063 0.000 0.746 701 E HN 0.558 nan 8.360 nan 0.000 0.452 702 E N 0.132 120.327 120.200 -0.009 0.000 2.047 702 E HA -0.143 4.200 4.350 -0.013 0.000 0.191 702 E C 1.907 178.538 176.600 0.051 0.000 0.987 702 E CA 1.182 57.605 56.400 0.038 0.000 0.799 702 E CB -0.234 29.541 29.700 0.125 0.000 0.752 702 E HN 0.381 nan 8.360 nan 0.000 0.449 703 A N 0.393 123.257 122.820 0.073 0.000 2.021 703 A HA 0.307 4.619 4.320 -0.013 0.000 0.216 703 A C 1.085 178.709 177.584 0.066 0.000 1.163 703 A CA 1.177 53.288 52.037 0.124 0.000 0.676 703 A CB -0.073 19.114 19.000 0.312 0.000 0.818 703 A HN 0.272 nan 8.150 nan 0.000 0.453 704 G N -0.713 108.093 108.800 0.010 0.000 3.055 704 G HA2 -0.092 3.861 3.960 -0.013 0.000 0.686 704 G HA3 -0.092 3.861 3.960 -0.013 0.000 0.686 704 G C -0.023 174.875 174.900 -0.003 0.000 1.087 704 G CA 0.010 45.105 45.100 -0.007 0.000 0.779 704 G HN 0.237 nan 8.290 nan 0.000 0.599 705 E N 0.924 121.103 120.200 -0.036 0.000 2.204 705 E HA -0.158 4.185 4.350 -0.013 0.000 0.195 705 E C 2.057 178.648 176.600 -0.014 0.000 0.990 705 E CA 1.718 58.100 56.400 -0.029 0.000 0.821 705 E CB 0.079 29.756 29.700 -0.039 0.000 0.750 705 E HN 0.764 nan 8.360 nan 0.000 0.477 706 E N 0.769 120.949 120.200 -0.033 0.000 2.265 706 E HA -0.110 4.233 4.350 -0.013 0.000 0.196 706 E C 1.035 177.550 176.600 -0.142 0.000 0.996 706 E CA 0.692 57.049 56.400 -0.071 0.000 0.832 706 E CB -0.045 29.625 29.700 -0.050 0.000 0.756 706 E HN 0.150 nan 8.360 nan 0.000 0.491 707 N N -0.388 118.265 118.700 -0.079 0.000 2.235 707 N HA 0.140 4.872 4.740 -0.013 0.000 0.209 707 N C -0.903 174.502 175.510 -0.174 0.000 1.122 707 N CA 0.125 53.092 53.050 -0.139 0.000 0.845 707 N CB 0.385 38.853 38.487 -0.031 0.000 1.004 707 N HN 0.046 nan 8.380 nan 0.000 0.499 708 F N -0.454 119.272 119.950 -0.372 0.000 2.588 708 F HA 0.412 4.931 4.527 -0.014 0.000 0.314 708 F C -0.498 175.051 175.800 -0.419 0.000 1.069 708 F CA -1.074 56.735 58.000 -0.319 0.000 0.931 708 F CB 1.251 40.169 39.000 -0.137 0.000 1.260 708 F HN -0.214 nan 8.300 nan 0.000 0.465 709 F N 4.267 124.272 119.950 0.091 0.000 2.359 709 F HA 0.435 4.954 4.527 -0.013 0.000 0.355 709 F C -0.103 175.833 175.800 0.227 0.000 1.132 709 F CA -0.442 57.625 58.000 0.111 0.000 1.246 709 F CB -0.115 38.904 39.000 0.032 0.000 1.569 709 F HN 0.063 nan 8.300 nan 0.000 0.561 710 I N 3.771 124.531 120.570 0.316 0.000 2.396 710 I HA 0.399 4.562 4.170 -0.013 0.000 0.292 710 I C -0.227 176.068 176.117 0.297 0.000 0.999 710 I CA -0.610 60.835 61.300 0.241 0.000 1.310 710 I CB 0.821 38.883 38.000 0.104 0.000 1.404 710 I HN 0.352 nan 8.210 nan 0.000 0.496 711 F N 3.428 123.436 119.950 0.096 0.000 2.685 711 F HA 0.927 5.446 4.527 -0.013 0.000 0.315 711 F C -0.011 175.823 175.800 0.057 0.000 1.126 711 F CA -0.583 57.466 58.000 0.082 0.000 0.950 711 F CB 0.995 40.059 39.000 0.107 0.000 1.360 711 F HN 0.793 nan 8.300 nan 0.000 0.469 712 G N 1.049 109.915 108.800 0.111 0.000 2.728 712 G HA2 -0.069 3.884 3.960 -0.013 0.000 0.294 712 G HA3 -0.069 3.884 3.960 -0.013 0.000 0.294 712 G C -0.893 173.980 174.900 -0.045 0.000 1.342 712 G CA -0.633 44.470 45.100 0.005 0.000 0.866 712 G HN 0.960 nan 8.290 nan 0.000 0.534 713 M N 0.868 120.450 119.600 -0.030 0.000 2.249 713 M HA 0.217 4.689 4.480 -0.013 0.000 0.340 713 M C 1.217 177.480 176.300 -0.062 0.000 1.166 713 M CA 0.048 55.336 55.300 -0.021 0.000 1.115 713 M CB 0.267 32.864 32.600 -0.005 0.000 1.606 713 M HN 0.519 nan 8.290 nan 0.000 0.448 714 R N 1.716 122.193 120.500 -0.038 0.000 2.546 714 R HA 0.247 4.580 4.340 -0.013 0.000 0.266 714 R C 1.254 177.534 176.300 -0.034 0.000 1.086 714 R CA -0.559 55.514 56.100 -0.045 0.000 1.160 714 R CB -0.083 30.198 30.300 -0.032 0.000 1.138 714 R HN 0.584 nan 8.270 nan 0.000 0.567 715 V N 1.533 121.426 119.914 -0.035 0.000 2.278 715 V HA -0.303 3.809 4.120 -0.013 0.000 0.251 715 V C 1.899 177.981 176.094 -0.018 0.000 1.062 715 V CA 2.199 64.482 62.300 -0.028 0.000 1.038 715 V CB -0.491 31.315 31.823 -0.030 0.000 0.646 715 V HN 0.644 nan 8.190 nan 0.000 0.447 716 E N 0.017 120.208 120.200 -0.015 0.000 2.153 716 E HA -0.186 4.157 4.350 -0.013 0.000 0.194 716 E C 1.952 178.555 176.600 0.005 0.000 0.988 716 E CA 1.359 57.755 56.400 -0.006 0.000 0.811 716 E CB -0.349 29.348 29.700 -0.005 0.000 0.746 716 E HN 0.637 nan 8.360 nan 0.000 0.466 717 D N -0.245 120.160 120.400 0.008 0.000 2.183 717 D HA -0.079 4.554 4.640 -0.013 0.000 0.203 717 D C 1.920 178.236 176.300 0.027 0.000 0.969 717 D CA 0.733 54.748 54.000 0.025 0.000 0.842 717 D CB 0.092 40.910 40.800 0.030 0.000 0.957 717 D HN 0.075 nan 8.370 nan 0.000 0.484 718 V N 1.773 121.691 119.914 0.006 0.000 2.307 718 V HA -0.195 3.918 4.120 -0.013 0.000 0.245 718 V C 1.996 178.091 176.094 0.002 0.000 1.045 718 V CA 1.559 63.856 62.300 -0.006 0.000 1.024 718 V CB -0.375 31.434 31.823 -0.024 0.000 0.651 718 V HN 0.015 nan 8.190 nan 0.000 0.449 719 D N 0.049 120.450 120.400 0.001 0.000 2.104 719 D HA -0.168 4.464 4.640 -0.013 0.000 0.194 719 D C 2.411 178.722 176.300 0.019 0.000 0.994 719 D CA 1.334 55.336 54.000 0.004 0.000 0.830 719 D CB -0.262 40.537 40.800 -0.003 0.000 0.959 719 D HN 0.333 nan 8.370 nan 0.000 0.452 720 R N 0.073 120.589 120.500 0.027 0.000 2.091 720 R HA -0.049 4.283 4.340 -0.013 0.000 0.238 720 R C 2.505 178.841 176.300 0.059 0.000 1.136 720 R CA 0.572 56.696 56.100 0.039 0.000 0.959 720 R CB -0.356 29.969 30.300 0.042 0.000 0.856 720 R HN 0.206 nan 8.270 nan 0.000 0.437 721 L N 0.507 121.775 121.223 0.074 0.000 2.093 721 L HA -0.193 4.140 4.340 -0.013 0.000 0.208 721 L C 1.432 178.368 176.870 0.110 0.000 1.085 721 L CA 1.291 56.203 54.840 0.119 0.000 0.755 721 L CB -0.238 41.911 42.059 0.149 0.000 0.904 721 L HN 0.227 nan 8.230 nan 0.000 0.435 722 D N -0.485 119.954 120.400 0.064 0.000 2.144 722 D HA -0.206 4.426 4.640 -0.013 0.000 0.199 722 D C 2.206 178.535 176.300 0.049 0.000 0.984 722 D CA 1.125 55.155 54.000 0.050 0.000 0.834 722 D CB 0.006 40.815 40.800 0.014 0.000 0.955 722 D HN 0.429 nan 8.370 nan 0.000 0.465 723 Q N -0.075 119.750 119.800 0.042 0.000 2.119 723 Q HA -0.055 4.277 4.340 -0.013 0.000 0.201 723 Q C 2.221 178.246 176.000 0.042 0.000 0.972 723 Q CA 0.775 56.599 55.803 0.035 0.000 0.847 723 Q CB 0.099 28.853 28.738 0.028 0.000 0.903 723 Q HN 0.123 nan 8.270 nan 0.000 0.433 724 R N -0.286 120.247 120.500 0.055 0.000 2.119 724 R HA 0.022 4.354 4.340 -0.013 0.000 0.222 724 R C -0.163 176.175 176.300 0.064 0.000 1.088 724 R CA 0.889 57.023 56.100 0.056 0.000 0.984 724 R CB 0.291 30.630 30.300 0.065 0.000 0.884 724 R HN 0.264 nan 8.270 nan 0.000 0.447 725 G N 0.063 108.916 108.800 0.088 0.000 3.434 725 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.686 725 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.686 725 G C -1.318 173.674 174.900 0.153 0.000 1.099 725 G CA -0.387 44.774 45.100 0.102 0.000 0.931 725 G HN 0.283 nan 8.290 nan 0.000 0.520 726 Y N 3.642 123.976 120.300 0.057 0.000 2.480 726 Y HA 0.470 5.013 4.550 -0.013 0.000 0.341 726 Y C 0.604 176.561 175.900 0.096 0.000 1.031 726 Y CA -0.360 57.794 58.100 0.089 0.000 1.295 726 Y CB 0.696 39.193 38.460 0.061 0.000 1.162 726 Y HN 0.576 nan 8.280 nan 0.000 0.523 727 N N 5.095 123.587 118.700 -0.346 0.000 2.564 727 N HA 0.360 5.093 4.740 -0.013 0.000 0.248 727 N C 0.234 175.490 175.510 -0.423 0.000 0.986 727 N CA 0.176 53.026 53.050 -0.333 0.000 0.921 727 N CB 1.173 39.585 38.487 -0.125 0.000 1.136 727 N HN 0.871 nan 8.380 nan 0.000 0.509 728 A N 2.974 125.472 122.820 -0.537 0.000 1.969 728 A HA -0.195 4.117 4.320 -0.013 0.000 0.218 728 A C 1.994 179.697 177.584 0.197 0.000 1.169 728 A CA 1.189 53.119 52.037 -0.179 0.000 0.635 728 A CB -0.339 18.465 19.000 -0.327 0.000 0.810 728 A HN 0.767 nan 8.150 nan 0.000 0.445 729 Q N 0.301 120.117 119.800 0.027 0.000 2.135 729 Q HA -0.233 4.099 4.340 -0.013 0.000 0.204 729 Q C 1.876 177.946 176.000 0.117 0.000 0.981 729 Q CA 2.246 58.089 55.803 0.067 0.000 0.856 729 Q CB -0.352 28.380 28.738 -0.009 0.000 0.902 729 Q HN 0.778 nan 8.270 nan 0.000 0.425 730 E N -1.328 118.876 120.200 0.005 0.000 2.070 730 E HA -0.260 4.082 4.350 -0.013 0.000 0.197 730 E C 1.590 178.116 176.600 -0.122 0.000 1.004 730 E CA 1.653 57.981 56.400 -0.120 0.000 0.805 730 E CB -0.263 29.255 29.700 -0.302 0.000 0.744 730 E HN 0.600 nan 8.360 nan 0.000 0.451 731 Y N -1.083 119.289 120.300 0.119 0.000 2.163 731 Y HA -0.211 4.331 4.550 -0.013 0.000 0.288 731 Y C 2.283 178.194 175.900 0.018 0.000 1.136 731 Y CA 1.535 59.694 58.100 0.099 0.000 1.147 731 Y CB -0.767 37.803 38.460 0.183 0.000 0.987 731 Y HN 0.230 nan 8.280 nan 0.000 0.509 732 Y N 1.424 121.773 120.300 0.081 0.000 2.151 732 Y HA -0.307 4.235 4.550 -0.013 0.000 0.284 732 Y C 1.875 177.754 175.900 -0.035 0.000 1.166 732 Y CA 1.949 60.023 58.100 -0.043 0.000 1.163 732 Y CB -0.435 38.055 38.460 0.051 0.000 0.974 732 Y HN 0.097 nan 8.280 nan 0.000 0.511 733 D N -0.402 120.102 120.400 0.174 0.000 2.178 733 D HA -0.109 4.524 4.640 -0.013 0.000 0.202 733 D C 1.873 178.157 176.300 -0.027 0.000 0.974 733 D CA 1.326 55.368 54.000 0.071 0.000 0.841 733 D CB -0.113 40.739 40.800 0.088 0.000 0.953 733 D HN 0.485 nan 8.370 nan 0.000 0.478 734 R N -0.305 120.179 120.500 -0.027 0.000 2.334 734 R HA 0.286 4.618 4.340 -0.013 0.000 0.212 734 R C 0.314 176.599 176.300 -0.024 0.000 0.897 734 R CA 0.065 56.148 56.100 -0.028 0.000 1.056 734 R CB 1.154 31.435 30.300 -0.031 0.000 1.046 734 R HN 0.146 nan 8.270 nan 0.000 0.513 735 I N 2.190 122.729 120.570 -0.052 0.000 2.437 735 I HA 0.228 4.390 4.170 -0.013 0.000 0.279 735 I C -1.966 174.062 176.117 -0.147 0.000 1.028 735 I CA -2.338 58.932 61.300 -0.051 0.000 1.142 735 I CB 2.157 40.160 38.000 0.005 0.000 1.266 735 I HN -0.286 nan 8.210 nan 0.000 0.461 736 P HA -0.139 nan 4.420 nan 0.000 0.217 736 P C 1.176 178.383 177.300 -0.154 0.000 1.150 736 P CA 1.292 64.303 63.100 -0.149 0.000 0.832 736 P CB 0.327 31.971 31.700 -0.092 0.000 0.787 737 E N -0.926 119.219 120.200 -0.091 0.000 2.106 737 E HA -0.153 4.189 4.350 -0.013 0.000 0.192 737 E C 1.844 178.344 176.600 -0.166 0.000 0.984 737 E CA 0.677 57.038 56.400 -0.064 0.000 0.806 737 E CB -0.581 29.153 29.700 0.056 0.000 0.750 737 E HN 0.116 nan 8.360 nan 0.000 0.458 738 L N 1.293 122.328 121.223 -0.313 0.000 2.056 738 L HA -0.131 4.201 4.340 -0.013 0.000 0.207 738 L C 2.356 178.951 176.870 -0.459 0.000 1.078 738 L CA 1.605 56.086 54.840 -0.599 0.000 0.749 738 L CB -0.307 41.249 42.059 -0.838 0.000 0.901 738 L HN -0.081 nan 8.230 nan 0.000 0.433 739 R N -0.850 119.363 120.500 -0.479 0.000 2.083 739 R HA -0.244 4.089 4.340 -0.013 0.000 0.237 739 R C 2.393 178.513 176.300 -0.300 0.000 1.137 739 R CA 2.014 57.738 56.100 -0.627 0.000 0.951 739 R CB -0.360 29.504 30.300 -0.728 0.000 0.851 739 R HN 0.599 nan 8.270 nan 0.000 0.434 740 Q N 0.416 120.084 119.800 -0.220 0.000 2.096 740 Q HA -0.187 4.146 4.340 -0.013 0.000 0.204 740 Q C 2.092 178.038 176.000 -0.089 0.000 0.982 740 Q CA 1.968 57.689 55.803 -0.137 0.000 0.850 740 Q CB -0.104 28.557 28.738 -0.128 0.000 0.901 740 Q HN 0.474 nan 8.270 nan 0.000 0.422 741 I N 0.621 121.136 120.570 -0.091 0.000 2.179 741 I HA -0.296 3.866 4.170 -0.013 0.000 0.242 741 I C 2.136 178.277 176.117 0.040 0.000 1.088 741 I CA 0.687 61.974 61.300 -0.022 0.000 1.357 741 I CB -0.334 37.623 38.000 -0.071 0.000 1.051 741 I HN 0.295 nan 8.210 nan 0.000 0.409 742 I N 0.846 121.439 120.570 0.038 0.000 2.226 742 I HA -0.254 3.909 4.170 -0.013 0.000 0.245 742 I C 2.482 178.702 176.117 0.171 0.000 1.100 742 I CA 1.678 63.072 61.300 0.157 0.000 1.374 742 I CB -1.352 36.839 38.000 0.317 0.000 1.057 742 I HN 0.355 nan 8.210 nan 0.000 0.413 743 E N 0.384 120.664 120.200 0.133 0.000 2.077 743 E HA -0.249 4.093 4.350 -0.013 0.000 0.193 743 E C 2.193 178.859 176.600 0.109 0.000 0.989 743 E CA 1.091 57.560 56.400 0.114 0.000 0.800 743 E CB -0.144 29.589 29.700 0.055 0.000 0.746 743 E HN 0.581 nan 8.360 nan 0.000 0.452 744 Q N 0.455 120.303 119.800 0.081 0.000 2.050 744 Q HA -0.157 4.175 4.340 -0.013 0.000 0.202 744 Q C 2.398 178.588 176.000 0.316 0.000 0.980 744 Q CA 1.093 56.964 55.803 0.113 0.000 0.840 744 Q CB -0.095 28.647 28.738 0.006 0.000 0.898 744 Q HN 0.304 nan 8.270 nan 0.000 0.424 745 L N -0.049 121.364 121.223 0.317 0.000 2.017 745 L HA -0.211 4.122 4.340 -0.013 0.000 0.208 745 L C 2.474 179.528 176.870 0.307 0.000 1.073 745 L CA 1.113 56.153 54.840 0.333 0.000 0.745 745 L CB -0.438 41.730 42.059 0.182 0.000 0.894 745 L HN 0.157 nan 8.230 nan 0.000 0.432 746 S N -0.277 115.558 115.700 0.226 0.000 2.368 746 S HA -0.153 4.310 4.470 -0.013 0.000 0.225 746 S C 2.092 176.795 174.600 0.172 0.000 1.030 746 S CA 1.543 59.855 58.200 0.187 0.000 0.999 746 S CB -0.232 63.059 63.200 0.152 0.000 0.844 746 S HN 0.612 nan 8.310 nan 0.000 0.459 747 S N 0.356 116.159 115.700 0.173 0.000 2.496 747 S HA 0.327 4.789 4.470 -0.013 0.000 0.224 747 S C 1.421 176.113 174.600 0.153 0.000 0.996 747 S CA 0.682 58.968 58.200 0.144 0.000 0.927 747 S CB -0.026 63.251 63.200 0.128 0.000 0.774 747 S HN 0.832 nan 8.310 nan 0.000 0.524 748 G N 0.549 109.474 108.800 0.207 0.000 2.131 748 G HA2 -0.253 3.699 3.960 -0.013 0.000 0.201 748 G HA3 -0.253 3.699 3.960 -0.013 0.000 0.201 748 G C 0.137 175.134 174.900 0.162 0.000 1.000 748 G CA 0.062 45.274 45.100 0.186 0.000 0.680 748 G HN 0.480 nan 8.290 nan 0.000 0.514 749 F N 0.258 120.220 119.950 0.020 0.000 2.171 749 F HA 0.187 4.707 4.527 -0.013 0.000 0.300 749 F C 1.904 177.513 175.800 -0.318 0.000 1.090 749 F CA 1.950 59.836 58.000 -0.190 0.000 1.293 749 F CB -0.024 38.780 39.000 -0.327 0.000 1.013 749 F HN 0.180 nan 8.300 nan 0.000 0.486 750 F N -0.321 119.751 119.950 0.202 0.000 2.727 750 F HA 0.194 4.713 4.527 -0.013 0.000 0.302 750 F C 0.583 176.483 175.800 0.166 0.000 1.097 750 F CA 0.230 58.304 58.000 0.124 0.000 1.330 750 F CB -0.104 38.982 39.000 0.143 0.000 1.084 750 F HN -0.048 nan 8.300 nan 0.000 0.578 751 S N -1.770 114.072 115.700 0.238 0.000 2.488 751 S HA 0.312 4.775 4.470 -0.013 0.000 0.151 751 S C -2.520 172.099 174.600 0.031 0.000 1.401 751 S CA -1.006 57.259 58.200 0.109 0.000 1.221 751 S CB 0.998 64.222 63.200 0.040 0.000 1.407 751 S HN -0.186 nan 8.310 nan 0.000 0.406 752 P HA -0.025 nan 4.420 nan 0.000 0.217 752 P C 1.199 178.489 177.300 -0.016 0.000 1.150 752 P CA 1.052 64.132 63.100 -0.035 0.000 0.832 752 P CB 0.150 31.803 31.700 -0.079 0.000 0.787 753 K N -0.812 119.578 120.400 -0.016 0.000 2.167 753 K HA -0.005 4.307 4.320 -0.013 0.000 0.203 753 K C 0.672 177.269 176.600 -0.005 0.000 1.052 753 K CA 0.878 57.159 56.287 -0.010 0.000 0.956 753 K CB 0.027 32.522 32.500 -0.008 0.000 0.735 753 K HN 0.321 nan 8.250 nan 0.000 0.451 754 Q N 0.547 120.341 119.800 -0.009 0.000 2.788 754 Q HA 0.153 4.485 4.340 -0.013 0.000 0.261 754 Q C -2.220 173.771 176.000 -0.015 0.000 1.029 754 Q CA -1.672 54.122 55.803 -0.016 0.000 0.848 754 Q CB 1.322 30.043 28.738 -0.029 0.000 1.185 754 Q HN -0.025 nan 8.270 nan 0.000 0.482 755 P HA -0.227 nan 4.420 nan 0.000 0.217 755 P C 0.489 177.824 177.300 0.059 0.000 1.148 755 P CA 1.514 64.642 63.100 0.046 0.000 0.828 755 P CB 0.239 31.967 31.700 0.047 0.000 0.783 756 D N -0.958 119.461 120.400 0.032 0.000 2.342 756 D HA -0.018 4.614 4.640 -0.013 0.000 0.221 756 D C 1.701 178.002 176.300 0.001 0.000 1.101 756 D CA -0.330 53.696 54.000 0.044 0.000 0.837 756 D CB -0.618 40.209 40.800 0.044 0.000 0.938 756 D HN 0.000 nan 8.370 nan 0.000 0.508 757 L N -0.029 121.129 121.223 -0.108 0.000 2.081 757 L HA -0.084 4.248 4.340 -0.013 0.000 0.212 757 L C 1.208 177.876 176.870 -0.338 0.000 1.080 757 L CA 1.689 56.345 54.840 -0.306 0.000 0.754 757 L CB -0.640 41.049 42.059 -0.617 0.000 0.893 757 L HN -0.004 nan 8.230 nan 0.000 0.433 758 F N -0.758 119.248 119.950 0.092 0.000 2.639 758 F HA 0.123 4.643 4.527 -0.012 0.000 0.300 758 F C 1.861 177.711 175.800 0.083 0.000 1.109 758 F CA -0.110 57.933 58.000 0.072 0.000 1.335 758 F CB -0.274 38.756 39.000 0.051 0.000 1.014 758 F HN 0.104 nan 8.300 nan 0.000 0.537 759 K N -0.290 120.228 120.400 0.198 0.000 2.103 759 K HA -0.197 4.115 4.320 -0.013 0.000 0.207 759 K C 1.029 177.731 176.600 0.170 0.000 1.048 759 K CA 2.028 58.414 56.287 0.165 0.000 0.930 759 K CB -0.270 32.304 32.500 0.123 0.000 0.716 759 K HN 0.057 nan 8.250 nan 0.000 0.444 760 D N 1.258 121.772 120.400 0.190 0.000 2.117 760 D HA -0.096 4.537 4.640 -0.013 0.000 0.197 760 D C 2.033 178.435 176.300 0.170 0.000 0.987 760 D CA 1.217 55.341 54.000 0.207 0.000 0.829 760 D CB -0.127 40.835 40.800 0.270 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.460 761 I N 0.411 121.080 120.570 0.164 0.000 2.179 761 I HA -0.220 3.942 4.170 -0.013 0.000 0.242 761 I C 2.424 178.570 176.117 0.049 0.000 1.088 761 I CA 0.621 61.978 61.300 0.095 0.000 1.357 761 I CB -0.268 37.787 38.000 0.092 0.000 1.051 761 I HN -0.105 nan 8.210 nan 0.000 0.409 762 V N 1.162 121.132 119.914 0.093 0.000 2.295 762 V HA -0.310 3.803 4.120 -0.013 0.000 0.246 762 V C 2.233 178.330 176.094 0.005 0.000 1.049 762 V CA 2.444 64.785 62.300 0.068 0.000 1.024 762 V CB -1.012 30.879 31.823 0.113 0.000 0.648 762 V HN 0.467 nan 8.190 nan 0.000 0.447 763 N N -0.200 118.538 118.700 0.065 0.000 2.069 763 N HA -0.220 4.513 4.740 -0.013 0.000 0.191 763 N C 1.870 177.353 175.510 -0.044 0.000 1.031 763 N CA 1.879 55.002 53.050 0.121 0.000 0.852 763 N CB -0.284 38.341 38.487 0.230 0.000 1.018 763 N HN 0.328 nan 8.380 nan 0.000 0.423 764 M N -0.143 119.333 119.600 -0.207 0.000 2.065 764 M HA -0.134 4.339 4.480 -0.013 0.000 0.259 764 M C 1.490 177.509 176.300 -0.470 0.000 1.069 764 M CA 1.383 56.256 55.300 -0.711 0.000 1.110 764 M CB -0.691 31.676 32.600 -0.389 0.000 1.328 764 M HN 0.220 nan 8.290 nan 0.000 0.405 765 L N 0.688 121.725 121.223 -0.309 0.000 2.042 765 L HA -0.232 4.100 4.340 -0.013 0.000 0.210 765 L C 2.474 178.993 176.870 -0.584 0.000 1.076 765 L CA 1.739 56.321 54.840 -0.431 0.000 0.749 765 L CB -1.130 40.744 42.059 -0.308 0.000 0.893 765 L HN 0.366 nan 8.230 nan 0.000 0.432 766 M N -2.148 117.180 119.600 -0.454 0.000 2.288 766 M HA -0.060 4.412 4.480 -0.013 0.000 0.266 766 M C 1.861 177.788 176.300 -0.623 0.000 1.072 766 M CA 1.363 56.319 55.300 -0.573 0.000 1.132 766 M CB -0.744 31.424 32.600 -0.719 0.000 1.386 766 M HN 0.338 nan 8.290 nan 0.000 0.432 767 H N -1.988 117.021 119.070 -0.103 0.000 2.735 767 H HA 0.181 4.729 4.556 -0.013 0.000 0.250 767 H C 0.235 175.615 175.328 0.087 0.000 0.948 767 H CA 0.718 56.770 56.048 0.007 0.000 1.137 767 H CB 0.185 30.000 29.762 0.088 0.000 1.440 767 H HN 0.567 nan 8.280 nan 0.000 0.444 768 H N -1.059 118.070 119.070 0.098 0.000 2.716 768 H HA 0.316 4.864 4.556 -0.013 0.000 0.230 768 H C -1.142 174.209 175.328 0.039 0.000 1.401 768 H CA -0.605 55.486 56.048 0.072 0.000 1.168 768 H CB 0.120 29.926 29.762 0.073 0.000 1.935 768 H HN -0.133 nan 8.280 nan 0.000 0.538 769 D N 1.408 121.798 120.400 -0.016 0.000 2.441 769 D HA 0.133 4.765 4.640 -0.013 0.000 0.221 769 D C 0.894 177.117 176.300 -0.129 0.000 1.156 769 D CA -0.475 53.489 54.000 -0.060 0.000 0.896 769 D CB 0.694 41.448 40.800 -0.077 0.000 1.028 769 D HN 0.475 nan 8.370 nan 0.000 0.509 770 R N 2.170 122.504 120.500 -0.276 0.000 2.193 770 R HA -0.076 4.257 4.340 -0.013 0.000 0.229 770 R C 0.595 176.390 176.300 -0.843 0.000 1.110 770 R CA 0.997 56.711 56.100 -0.643 0.000 0.988 770 R CB 0.067 29.754 30.300 -1.022 0.000 0.871 770 R HN 0.417 nan 8.270 nan 0.000 0.458 771 F N 0.068 119.961 119.950 -0.096 0.000 2.661 771 F HA 0.270 4.790 4.527 -0.013 0.000 0.306 771 F C 0.077 175.750 175.800 -0.211 0.000 1.094 771 F CA -0.636 57.299 58.000 -0.109 0.000 1.254 771 F CB 0.275 39.269 39.000 -0.010 0.000 1.040 771 F HN -0.253 nan 8.300 nan 0.000 0.562 772 K N -0.302 119.907 120.400 -0.318 0.000 3.148 772 K HA -0.175 4.138 4.320 -0.013 0.000 0.267 772 K C 0.980 177.471 176.600 -0.181 0.000 0.996 772 K CA 0.197 56.128 56.287 -0.593 0.000 0.737 772 K CB -1.889 30.197 32.500 -0.689 0.000 1.308 772 K HN 0.204 nan 8.250 nan 0.000 0.470 773 V N 0.016 119.904 119.914 -0.044 0.000 2.252 773 V HA -0.304 3.808 4.120 -0.013 0.000 0.249 773 V C 1.955 178.198 176.094 0.249 0.000 1.056 773 V CA 2.423 64.780 62.300 0.095 0.000 1.022 773 V CB -0.494 31.393 31.823 0.107 0.000 0.641 773 V HN 0.496 nan 8.190 nan 0.000 0.445 774 F N 0.142 120.091 119.950 -0.002 0.000 2.171 774 F HA -0.194 4.326 4.527 -0.013 0.000 0.300 774 F C 2.499 178.072 175.800 -0.378 0.000 1.090 774 F CA 0.669 58.609 58.000 -0.100 0.000 1.293 774 F CB -0.367 38.597 39.000 -0.061 0.000 1.013 774 F HN 0.197 nan 8.300 nan 0.000 0.486 775 A N -0.587 122.069 122.820 -0.274 0.000 2.019 775 A HA -0.182 4.130 4.320 -0.013 0.000 0.219 775 A C 1.439 179.004 177.584 -0.030 0.000 1.164 775 A CA 1.787 53.578 52.037 -0.411 0.000 0.644 775 A CB -0.426 18.499 19.000 -0.124 0.000 0.805 775 A HN 0.230 nan 8.150 nan 0.000 0.449 776 D N -2.754 117.691 120.400 0.075 0.000 2.369 776 D HA 0.086 4.718 4.640 -0.013 0.000 0.211 776 D C 1.148 177.599 176.300 0.252 0.000 1.077 776 D CA -0.024 54.097 54.000 0.201 0.000 0.842 776 D CB -0.111 40.828 40.800 0.232 0.000 0.947 776 D HN 0.596 nan 8.370 nan 0.000 0.509 777 Y N 2.069 122.432 120.300 0.106 0.000 2.097 777 Y HA -0.204 4.338 4.550 -0.012 0.000 0.282 777 Y C 2.099 178.065 175.900 0.110 0.000 1.152 777 Y CA 1.843 60.013 58.100 0.117 0.000 1.136 777 Y CB 0.181 38.668 38.460 0.045 0.000 0.975 777 Y HN -0.119 nan 8.280 nan 0.000 0.498 778 E N 0.051 120.304 120.200 0.089 0.000 2.038 778 E HA -0.255 4.088 4.350 -0.013 0.000 0.195 778 E C 2.185 178.744 176.600 -0.068 0.000 1.000 778 E CA 1.668 58.055 56.400 -0.021 0.000 0.803 778 E CB -0.196 29.591 29.700 0.144 0.000 0.750 778 E HN 0.631 nan 8.360 nan 0.000 0.448 779 E N -0.234 120.000 120.200 0.057 0.000 2.110 779 E HA -0.206 4.136 4.350 -0.013 0.000 0.193 779 E C 1.946 178.515 176.600 -0.051 0.000 0.988 779 E CA 0.781 57.233 56.400 0.088 0.000 0.804 779 E CB -0.149 29.699 29.700 0.247 0.000 0.745 779 E HN 0.267 nan 8.360 nan 0.000 0.458 780 Y N 1.312 121.392 120.300 -0.367 0.000 2.114 780 Y HA -0.236 4.306 4.550 -0.013 0.000 0.284 780 Y C 2.176 177.660 175.900 -0.693 0.000 1.143 780 Y CA 1.047 58.597 58.100 -0.915 0.000 1.135 780 Y CB -0.584 37.420 38.460 -0.761 0.000 0.980 780 Y HN -0.207 nan 8.280 nan 0.000 0.499 781 V N 0.621 120.160 119.914 -0.626 0.000 2.343 781 V HA -0.332 3.780 4.120 -0.013 0.000 0.247 781 V C 2.284 178.135 176.094 -0.405 0.000 1.051 781 V CA 2.423 64.370 62.300 -0.588 0.000 1.036 781 V CB -0.615 30.884 31.823 -0.541 0.000 0.654 781 V HN 0.320 nan 8.190 nan 0.000 0.451 782 K N -0.904 119.325 120.400 -0.284 0.000 2.057 782 K HA -0.206 4.106 4.320 -0.013 0.000 0.207 782 K C 2.284 178.782 176.600 -0.171 0.000 1.049 782 K CA 1.713 57.900 56.287 -0.168 0.000 0.931 782 K CB -0.631 31.820 32.500 -0.082 0.000 0.714 782 K HN 0.527 nan 8.250 nan 0.000 0.440 783 C N 1.326 120.494 119.300 -0.221 0.000 2.429 783 C HA -0.095 4.357 4.460 -0.013 0.000 0.277 783 C C 2.614 177.414 174.990 -0.317 0.000 1.262 783 C CA 0.786 59.702 59.018 -0.171 0.000 1.733 783 C CB -0.644 27.014 27.740 -0.137 0.000 2.010 783 C HN 0.435 nan 8.230 nan 0.000 0.483 784 Q N 0.501 119.977 119.800 -0.539 0.000 2.135 784 Q HA -0.188 4.144 4.340 -0.013 0.000 0.204 784 Q C 1.991 177.793 176.000 -0.330 0.000 0.981 784 Q CA 1.721 57.173 55.803 -0.585 0.000 0.856 784 Q CB -0.433 27.718 28.738 -0.979 0.000 0.902 784 Q HN 0.759 nan 8.270 nan 0.000 0.425 785 E N 0.227 120.288 120.200 -0.232 0.000 2.077 785 E HA -0.161 4.181 4.350 -0.013 0.000 0.193 785 E C 2.093 178.642 176.600 -0.084 0.000 0.989 785 E CA 0.724 57.049 56.400 -0.125 0.000 0.800 785 E CB -0.053 29.593 29.700 -0.090 0.000 0.746 785 E HN 0.280 nan 8.360 nan 0.000 0.452 786 R N 0.432 120.887 120.500 -0.075 0.000 2.115 786 R HA -0.087 4.245 4.340 -0.013 0.000 0.230 786 R C 2.426 178.709 176.300 -0.028 0.000 1.111 786 R CA 0.906 57.022 56.100 0.026 0.000 0.976 786 R CB -0.349 30.037 30.300 0.144 0.000 0.870 786 R HN 0.070 nan 8.270 nan 0.000 0.445 787 V N 0.671 120.375 119.914 -0.350 0.000 2.295 787 V HA -0.249 3.863 4.120 -0.013 0.000 0.246 787 V C 2.224 178.288 176.094 -0.049 0.000 1.049 787 V CA 1.996 63.998 62.300 -0.496 0.000 1.024 787 V CB -0.401 31.030 31.823 -0.652 0.000 0.648 787 V HN 0.283 nan 8.190 nan 0.000 0.447 788 S N -0.008 115.637 115.700 -0.091 0.000 2.382 788 S HA -0.186 4.277 4.470 -0.013 0.000 0.228 788 S C 2.206 176.852 174.600 0.076 0.000 1.027 788 S CA 1.418 59.599 58.200 -0.032 0.000 0.991 788 S CB -0.506 62.650 63.200 -0.073 0.000 0.823 788 S HN 0.655 nan 8.310 nan 0.000 0.469 789 A N 1.393 124.263 122.820 0.082 0.000 1.883 789 A HA -0.028 4.284 4.320 -0.013 0.000 0.217 789 A C 2.106 179.798 177.584 0.180 0.000 1.186 789 A CA 1.155 53.264 52.037 0.120 0.000 0.624 789 A CB -0.748 18.314 19.000 0.103 0.000 0.822 789 A HN 0.461 nan 8.150 nan 0.000 0.444 790 L N -2.069 119.318 121.223 0.273 0.000 2.093 790 L HA -0.156 4.176 4.340 -0.013 0.000 0.208 790 L C 2.475 179.604 176.870 0.431 0.000 1.085 790 L CA 1.819 56.898 54.840 0.398 0.000 0.755 790 L CB -0.431 41.982 42.059 0.590 0.000 0.904 790 L HN 0.608 nan 8.230 nan 0.000 0.435 791 Y N 0.913 121.318 120.300 0.175 0.000 2.333 791 Y HA -0.258 4.285 4.550 -0.011 0.000 0.290 791 Y C 2.419 178.239 175.900 -0.132 0.000 1.144 791 Y CA 1.530 59.474 58.100 -0.261 0.000 1.228 791 Y CB -0.030 38.052 38.460 -0.630 0.000 0.985 791 Y HN 0.062 nan 8.280 nan 0.000 0.542 792 K N -0.077 120.363 120.400 0.067 0.000 2.360 792 K HA -0.151 4.161 4.320 -0.013 0.000 0.201 792 K C 0.369 176.955 176.600 -0.023 0.000 1.046 792 K CA 0.885 57.196 56.287 0.039 0.000 0.945 792 K CB -0.100 32.465 32.500 0.107 0.000 0.750 792 K HN 0.047 nan 8.250 nan 0.000 0.464 793 N N 0.284 118.985 118.700 0.002 0.000 2.936 793 N HA 0.138 4.871 4.740 -0.013 0.000 0.243 793 N C -2.439 173.072 175.510 0.001 0.000 1.149 793 N CA -2.235 50.821 53.050 0.010 0.000 0.914 793 N CB 1.173 39.697 38.487 0.062 0.000 1.179 793 N HN -0.191 nan 8.380 nan 0.000 0.502 794 P HA -0.173 nan 4.420 nan 0.000 0.216 794 P C 1.367 178.677 177.300 0.017 0.000 1.154 794 P CA 1.120 64.146 63.100 -0.124 0.000 0.865 794 P CB 0.400 32.001 31.700 -0.165 0.000 0.789 795 R N 0.007 120.518 120.500 0.018 0.000 2.075 795 R HA -0.135 4.198 4.340 -0.013 0.000 0.232 795 R C 1.902 178.243 176.300 0.070 0.000 1.126 795 R CA 1.347 57.469 56.100 0.037 0.000 0.963 795 R CB -0.308 30.005 30.300 0.022 0.000 0.858 795 R HN 0.087 nan 8.270 nan 0.000 0.435 796 E N -0.085 120.167 120.200 0.087 0.000 2.158 796 E HA -0.201 4.141 4.350 -0.013 0.000 0.191 796 E C 1.594 178.274 176.600 0.133 0.000 0.982 796 E CA 0.501 56.956 56.400 0.093 0.000 0.823 796 E CB -0.398 29.354 29.700 0.087 0.000 0.766 796 E HN 0.502 nan 8.360 nan 0.000 0.468 797 W N 2.314 123.614 121.300 -0.001 0.000 2.333 797 W HA -0.211 4.441 4.660 -0.014 0.000 0.316 797 W C 1.635 178.160 176.519 0.009 0.000 1.215 797 W CA 2.212 59.570 57.345 0.022 0.000 1.278 797 W CB -0.439 29.005 29.460 -0.027 0.000 1.154 797 W HN 0.035 nan 8.180 nan 0.000 0.486 798 T N 1.101 115.786 114.554 0.219 0.000 2.788 798 T HA -0.179 4.163 4.350 -0.013 0.000 0.268 798 T C 1.852 176.560 174.700 0.014 0.000 1.044 798 T CA 1.710 63.870 62.100 0.100 0.000 1.139 798 T CB -0.332 68.584 68.868 0.080 0.000 0.867 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.363 120.879 120.500 0.026 0.000 2.096 799 R HA 0.076 4.409 4.340 -0.013 0.000 0.235 799 R C 2.518 178.805 176.300 -0.022 0.000 1.127 799 R CA 1.250 57.364 56.100 0.022 0.000 0.968 799 R CB -0.334 29.985 30.300 0.033 0.000 0.861 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.406 119.955 119.600 -0.085 0.000 2.132 800 M HA -0.156 4.316 4.480 -0.013 0.000 0.263 800 M C 1.972 178.163 176.300 -0.182 0.000 1.065 800 M CA 1.418 56.623 55.300 -0.158 0.000 1.122 800 M CB 0.132 32.578 32.600 -0.257 0.000 1.365 800 M HN -0.010 nan 8.290 nan 0.000 0.411 801 V N 0.943 120.727 119.914 -0.217 0.000 2.282 801 V HA -0.332 3.781 4.120 -0.013 0.000 0.249 801 V C 2.202 178.266 176.094 -0.050 0.000 1.057 801 V CA 2.181 64.386 62.300 -0.159 0.000 1.032 801 V CB -0.668 31.087 31.823 -0.114 0.000 0.645 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.592 119.977 120.570 -0.002 0.000 2.264 802 I HA -0.266 3.897 4.170 -0.013 0.000 0.248 802 I C 2.683 178.846 176.117 0.077 0.000 1.111 802 I CA 1.610 62.962 61.300 0.087 0.000 1.382 802 I CB -0.419 37.690 38.000 0.181 0.000 1.060 802 I HN 0.216 nan 8.210 nan 0.000 0.418 803 R N 0.353 120.873 120.500 0.034 0.000 2.148 803 R HA -0.091 4.241 4.340 -0.013 0.000 0.227 803 R C 2.018 178.347 176.300 0.048 0.000 1.103 803 R CA 1.071 57.192 56.100 0.035 0.000 0.983 803 R CB -0.405 29.901 30.300 0.010 0.000 0.874 803 R HN 0.536 nan 8.270 nan 0.000 0.451 804 N N 0.744 119.457 118.700 0.022 0.000 2.092 804 N HA -0.087 4.645 4.740 -0.013 0.000 0.189 804 N C 1.968 177.530 175.510 0.087 0.000 1.040 804 N CA 1.147 54.229 53.050 0.054 0.000 0.845 804 N CB -0.055 38.406 38.487 -0.044 0.000 1.017 804 N HN 0.103 nan 8.380 nan 0.000 0.426 805 I N 1.654 122.261 120.570 0.062 0.000 2.194 805 I HA -0.256 3.907 4.170 -0.013 0.000 0.246 805 I C 2.461 178.627 176.117 0.081 0.000 1.093 805 I CA 0.987 62.332 61.300 0.075 0.000 1.355 805 I CB -0.363 37.674 38.000 0.062 0.000 1.046 805 I HN 0.110 nan 8.210 nan 0.000 0.413 806 A N 0.375 123.242 122.820 0.079 0.000 2.067 806 A HA -0.156 4.156 4.320 -0.013 0.000 0.219 806 A C 2.113 179.735 177.584 0.063 0.000 1.158 806 A CA 2.033 54.107 52.037 0.063 0.000 0.661 806 A CB -0.839 18.200 19.000 0.065 0.000 0.801 806 A HN 0.545 nan 8.150 nan 0.000 0.452 807 T N -2.909 111.699 114.554 0.090 0.000 3.134 807 T HA 0.169 4.511 4.350 -0.013 0.000 0.260 807 T C 1.194 175.987 174.700 0.154 0.000 1.027 807 T CA 0.648 62.806 62.100 0.097 0.000 0.913 807 T CB -0.168 68.761 68.868 0.102 0.000 1.046 807 T HN 0.484 nan 8.240 nan 0.000 0.553 808 S N 0.260 116.070 115.700 0.182 0.000 2.603 808 S HA 0.233 4.696 4.470 -0.013 0.000 0.220 808 S C 2.218 176.943 174.600 0.208 0.000 0.967 808 S CA 0.284 58.666 58.200 0.304 0.000 0.920 808 S CB -0.685 62.668 63.200 0.256 0.000 0.773 808 S HN 0.525 nan 8.310 nan 0.000 0.529 809 G N 2.592 111.436 108.800 0.072 0.000 2.469 809 G HA2 -0.293 3.660 3.960 -0.013 0.000 0.220 809 G HA3 -0.293 3.660 3.960 -0.013 0.000 0.220 809 G C 1.329 176.172 174.900 -0.094 0.000 1.136 809 G CA 1.033 46.141 45.100 0.013 0.000 0.759 809 G HN 0.604 nan 8.290 nan 0.000 0.562 810 K N -0.208 120.005 120.400 -0.311 0.000 2.280 810 K HA -0.012 4.300 4.320 -0.013 0.000 0.202 810 K C 1.179 177.459 176.600 -0.533 0.000 1.047 810 K CA 0.692 56.658 56.287 -0.534 0.000 0.942 810 K CB -0.233 31.758 32.500 -0.850 0.000 0.739 810 K HN 0.436 nan 8.250 nan 0.000 0.457 811 F N 0.576 120.557 119.950 0.052 0.000 2.645 811 F HA 0.153 4.672 4.527 -0.013 0.000 0.300 811 F C 0.761 176.608 175.800 0.077 0.000 1.115 811 F CA -0.677 57.360 58.000 0.062 0.000 1.355 811 F CB 0.534 39.568 39.000 0.056 0.000 1.026 811 F HN -0.137 nan 8.300 nan 0.000 0.536 812 S N 0.476 116.265 115.700 0.150 0.000 2.531 812 S HA 0.038 4.501 4.470 -0.013 0.000 0.279 812 S C 1.476 176.161 174.600 0.142 0.000 1.305 812 S CA -0.114 58.167 58.200 0.135 0.000 1.058 812 S CB 0.746 63.994 63.200 0.080 0.000 0.899 812 S HN 0.373 nan 8.310 nan 0.000 0.493 813 S N 3.379 119.188 115.700 0.182 0.000 2.507 813 S HA -0.087 4.375 4.470 -0.013 0.000 0.235 813 S C 0.982 175.640 174.600 0.097 0.000 0.988 813 S CA 0.764 59.092 58.200 0.215 0.000 0.944 813 S CB -0.351 63.055 63.200 0.342 0.000 0.762 813 S HN 0.793 nan 8.310 nan 0.000 0.526 814 D N 1.953 122.393 120.400 0.067 0.000 2.117 814 D HA -0.094 4.539 4.640 -0.013 0.000 0.197 814 D C 2.101 178.406 176.300 0.009 0.000 0.987 814 D CA 0.837 54.852 54.000 0.026 0.000 0.829 814 D CB -0.356 40.456 40.800 0.021 0.000 0.961 814 D HN 0.286 nan 8.370 nan 0.000 0.460 815 R N 0.787 121.296 120.500 0.014 0.000 2.073 815 R HA -0.098 4.234 4.340 -0.013 0.000 0.234 815 R C 1.943 178.237 176.300 -0.010 0.000 1.134 815 R CA 1.512 57.606 56.100 -0.009 0.000 0.952 815 R CB -0.836 29.447 30.300 -0.029 0.000 0.850 815 R HN 0.139 nan 8.270 nan 0.000 0.433 816 T N 2.168 116.741 114.554 0.032 0.000 2.684 816 T HA -0.131 4.211 4.350 -0.013 0.000 0.267 816 T C 1.930 176.638 174.700 0.013 0.000 1.036 816 T CA 1.430 63.569 62.100 0.063 0.000 1.148 816 T CB -0.127 68.863 68.868 0.204 0.000 0.863 816 T HN 0.118 nan 8.240 nan 0.000 0.436 817 I N 1.569 122.071 120.570 -0.113 0.000 2.315 817 I HA -0.070 4.093 4.170 -0.013 0.000 0.248 817 I C 2.939 179.010 176.117 -0.077 0.000 1.117 817 I CA 0.926 62.117 61.300 -0.182 0.000 1.404 817 I CB -1.585 36.299 38.000 -0.194 0.000 1.071 817 I HN 0.195 nan 8.210 nan 0.000 0.419 818 A N 0.277 123.070 122.820 -0.044 0.000 1.940 818 A HA -0.249 4.063 4.320 -0.013 0.000 0.219 818 A C 2.253 179.790 177.584 -0.078 0.000 1.176 818 A CA 1.555 53.571 52.037 -0.034 0.000 0.631 818 A CB -0.559 18.427 19.000 -0.022 0.000 0.814 818 A HN 0.514 nan 8.150 nan 0.000 0.446 819 Q N -1.895 117.839 119.800 -0.109 0.000 2.049 819 Q HA -0.155 4.178 4.340 -0.013 0.000 0.198 819 Q C 1.955 177.772 176.000 -0.305 0.000 0.971 819 Q CA 1.590 57.286 55.803 -0.178 0.000 0.833 819 Q CB -0.316 28.309 28.738 -0.187 0.000 0.896 819 Q HN 0.814 nan 8.270 nan 0.000 0.434 820 Y N 0.692 120.694 120.300 -0.496 0.000 2.114 820 Y HA -0.318 4.225 4.550 -0.013 0.000 0.282 820 Y C 2.489 177.797 175.900 -0.986 0.000 1.165 820 Y CA 1.353 58.890 58.100 -0.938 0.000 1.148 820 Y CB -0.489 37.082 38.460 -1.482 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.225 122.802 122.820 -0.404 0.000 1.883 821 A HA -0.228 4.084 4.320 -0.013 0.000 0.217 821 A C 2.245 179.835 177.584 0.009 0.000 1.186 821 A CA 2.085 54.135 52.037 0.022 0.000 0.624 821 A CB -0.560 18.529 19.000 0.149 0.000 0.822 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.813 119.653 120.500 -0.057 0.000 2.093 822 R HA -0.007 4.325 4.340 -0.013 0.000 0.224 822 R C 1.744 178.015 176.300 -0.049 0.000 1.101 822 R CA 1.411 57.492 56.100 -0.032 0.000 0.979 822 R CB -0.134 30.144 30.300 -0.038 0.000 0.877 822 R HN 0.656 nan 8.270 nan 0.000 0.441 823 E N -0.534 119.596 120.200 -0.117 0.000 2.431 823 E HA 0.111 4.454 4.350 -0.013 0.000 0.200 823 E C 1.380 177.925 176.600 -0.092 0.000 0.995 823 E CA 0.358 56.694 56.400 -0.106 0.000 0.915 823 E CB 0.593 30.203 29.700 -0.150 0.000 0.930 823 E HN 0.276 nan 8.360 nan 0.000 0.496 824 I N -1.091 119.390 120.570 -0.148 0.000 3.739 824 I HA 0.025 4.188 4.170 -0.013 0.000 0.272 824 I C 1.301 177.550 176.117 0.220 0.000 1.167 824 I CA -0.059 61.216 61.300 -0.042 0.000 1.386 824 I CB 0.243 38.079 38.000 -0.274 0.000 1.490 824 I HN 0.110 nan 8.210 nan 0.000 0.452 825 W N 1.525 122.910 121.300 0.142 0.000 2.658 825 W HA 0.328 4.981 4.660 -0.013 0.000 0.263 825 W C 1.467 178.009 176.519 0.039 0.000 1.274 825 W CA 0.766 58.173 57.345 0.103 0.000 1.343 825 W CB -1.109 28.400 29.460 0.082 0.000 1.106 825 W HN 0.319 nan 8.180 nan 0.000 0.615 826 G N 1.301 110.229 108.800 0.213 0.000 2.272 826 G HA2 -0.112 3.841 3.960 -0.013 0.000 0.280 826 G HA3 -0.112 3.841 3.960 -0.013 0.000 0.280 826 G C -0.287 174.673 174.900 0.100 0.000 1.067 826 G CA 0.286 45.452 45.100 0.110 0.000 0.902 826 G HN 0.375 nan 8.290 nan 0.000 0.500 827 V N -4.289 115.706 119.914 0.136 0.000 2.962 827 V HA 0.921 5.033 4.120 -0.013 0.000 0.313 827 V C -0.343 175.803 176.094 0.087 0.000 1.099 827 V CA -1.697 60.664 62.300 0.100 0.000 0.971 827 V CB 2.352 34.242 31.823 0.112 0.000 1.028 827 V HN 0.137 nan 8.190 nan 0.000 0.430 828 E N 2.753 122.988 120.200 0.059 0.000 2.156 828 E HA 0.550 4.892 4.350 -0.013 0.000 0.279 828 E C -2.555 174.077 176.600 0.054 0.000 0.965 828 E CA -1.718 54.712 56.400 0.049 0.000 0.789 828 E CB 1.753 31.474 29.700 0.035 0.000 1.098 828 E HN 0.693 nan 8.360 nan 0.000 0.397 829 P HA 0.122 nan 4.420 nan 0.000 0.272 829 P C -0.681 176.646 177.300 0.045 0.000 1.230 829 P CA -0.299 62.832 63.100 0.052 0.000 0.788 829 P CB 0.697 32.423 31.700 0.043 0.000 0.949 830 S N 0.576 116.305 115.700 0.048 0.000 2.572 830 S HA 0.324 4.787 4.470 -0.013 0.000 0.274 830 S C 0.285 174.910 174.600 0.041 0.000 1.150 830 S CA -0.709 57.519 58.200 0.045 0.000 0.944 830 S CB 0.857 64.091 63.200 0.057 0.000 1.071 830 S HN 0.239 nan 8.310 nan 0.000 0.479 831 R N 2.237 122.757 120.500 0.033 0.000 2.317 831 R HA 0.182 4.514 4.340 -0.013 0.000 0.208 831 R C -0.023 176.289 176.300 0.020 0.000 0.914 831 R CA 0.101 56.219 56.100 0.030 0.000 1.060 831 R CB 0.088 30.405 30.300 0.030 0.000 1.015 831 R HN 0.692 nan 8.270 nan 0.000 0.498 832 Q N 1.099 120.910 119.800 0.019 0.000 2.311 832 Q HA 0.066 4.398 4.340 -0.013 0.000 0.272 832 Q C -0.289 175.705 176.000 -0.010 0.000 1.012 832 Q CA 0.230 56.037 55.803 0.007 0.000 0.891 832 Q CB 0.698 29.444 28.738 0.013 0.000 1.201 832 Q HN -0.211 nan 8.270 nan 0.000 0.391 833 R N 1.680 122.165 120.500 -0.025 0.000 2.537 833 R HA 0.152 4.484 4.340 -0.013 0.000 0.280 833 R C -0.395 175.863 176.300 -0.069 0.000 1.058 833 R CA 0.103 56.175 56.100 -0.046 0.000 1.057 833 R CB 0.317 30.588 30.300 -0.048 0.000 0.973 833 R HN 0.503 nan 8.270 nan 0.000 0.438 834 L N 5.635 126.801 121.223 -0.095 0.000 2.395 834 L HA 0.349 4.681 4.340 -0.013 0.000 0.269 834 L C -1.671 175.138 176.870 -0.101 0.000 1.133 834 L CA -2.001 52.752 54.840 -0.145 0.000 0.812 834 L CB 0.938 42.883 42.059 -0.191 0.000 1.125 834 L HN 0.465 nan 8.230 nan 0.000 0.452 835 P HA 0.105 nan 4.420 nan 0.000 0.268 835 P C -0.805 176.465 177.300 -0.050 0.000 1.204 835 P CA -0.219 62.845 63.100 -0.060 0.000 0.768 835 P CB 1.019 32.689 31.700 -0.050 0.000 0.842 836 A N 0.000 122.800 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486