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 3bd6_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 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 13 I N -0.528 120.030 120.570 -0.020 0.000 2.562 13 I HA 0.578 4.741 4.170 -0.013 0.000 0.301 13 I C 1.010 177.127 176.117 -0.000 0.000 1.003 13 I CA -0.204 61.093 61.300 -0.006 0.000 1.127 13 I CB 1.927 39.928 38.000 0.002 0.000 1.304 13 I HN 0.204 nan 8.210 nan 0.000 0.446 14 S N 3.785 119.490 115.700 0.009 0.000 2.359 14 S HA -0.174 4.289 4.470 -0.013 0.000 0.224 14 S C 1.739 176.349 174.600 0.016 0.000 1.035 14 S CA 2.125 60.332 58.200 0.012 0.000 1.018 14 S CB -0.636 62.577 63.200 0.021 0.000 0.876 14 S HN 0.830 nan 8.310 nan 0.000 0.448 15 V N -0.340 119.591 119.914 0.028 0.000 3.241 15 V HA 0.163 4.276 4.120 -0.013 0.000 0.269 15 V C 2.030 178.139 176.094 0.025 0.000 1.151 15 V CA 1.377 63.697 62.300 0.035 0.000 1.158 15 V CB -1.102 30.750 31.823 0.049 0.000 0.764 15 V HN 0.396 nan 8.190 nan 0.000 0.508 16 R N 1.052 121.558 120.500 0.010 0.000 2.334 16 R HA 0.441 4.773 4.340 -0.013 0.000 0.220 16 R C 1.155 177.446 176.300 -0.016 0.000 0.917 16 R CA 0.551 56.650 56.100 -0.002 0.000 1.073 16 R CB 0.146 30.441 30.300 -0.009 0.000 1.056 16 R HN 0.756 nan 8.270 nan 0.000 0.506 17 G N 0.699 109.489 108.800 -0.016 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 -0.953 173.931 174.900 -0.028 0.000 1.342 17 G CA -1.053 44.029 45.100 -0.030 0.000 0.866 17 G HN -0.023 nan 8.290 nan 0.000 0.534 18 L N 0.464 121.668 121.223 -0.032 0.000 2.350 18 L HA 0.676 5.008 4.340 -0.013 0.000 0.275 18 L C 1.203 178.057 176.870 -0.027 0.000 1.099 18 L CA 0.349 55.173 54.840 -0.026 0.000 0.808 18 L CB 1.056 43.100 42.059 -0.024 0.000 1.149 18 L HN 1.556 nan 8.230 nan 0.000 0.442 19 A N 2.502 125.309 122.820 -0.022 0.000 3.056 19 A HA 0.588 4.900 4.320 -0.013 0.000 0.328 19 A C 0.664 178.242 177.584 -0.010 0.000 1.233 19 A CA -0.354 51.672 52.037 -0.018 0.000 0.965 19 A CB -0.280 18.707 19.000 -0.021 0.000 1.123 19 A HN 0.783 nan 8.150 nan 0.000 0.502 20 G N -0.243 108.552 108.800 -0.008 0.000 2.491 20 G HA2 0.360 4.313 3.960 -0.013 0.000 0.242 20 G HA3 0.360 4.313 3.960 -0.013 0.000 0.242 20 G C 1.011 175.914 174.900 0.005 0.000 1.266 20 G CA -0.002 45.097 45.100 -0.002 0.000 0.844 20 G HN 0.479 nan 8.290 nan 0.000 0.571 21 V N 1.648 121.566 119.914 0.007 0.000 2.332 21 V HA -0.210 3.902 4.120 -0.013 0.000 0.248 21 V C 2.618 178.722 176.094 0.016 0.000 1.055 21 V CA 2.453 64.760 62.300 0.011 0.000 1.038 21 V CB -0.699 31.130 31.823 0.010 0.000 0.651 21 V HN 0.848 nan 8.190 nan 0.000 0.450 22 E N 0.582 120.792 120.200 0.017 0.000 2.051 22 E HA -0.203 4.140 4.350 -0.013 0.000 0.192 22 E C 2.069 178.690 176.600 0.034 0.000 0.991 22 E CA 1.693 58.107 56.400 0.023 0.000 0.799 22 E CB -0.190 29.522 29.700 0.021 0.000 0.748 22 E HN 0.622 nan 8.360 nan 0.000 0.449 23 N N -0.737 117.981 118.700 0.031 0.000 2.142 23 N HA -0.125 4.608 4.740 -0.013 0.000 0.186 23 N C 1.647 177.184 175.510 0.045 0.000 1.023 23 N CA 1.212 54.286 53.050 0.041 0.000 0.852 23 N CB -0.141 38.356 38.487 0.017 0.000 0.998 23 N HN 0.005 nan 8.380 nan 0.000 0.424 24 V N 0.334 120.265 119.914 0.029 0.000 2.343 24 V HA -0.226 3.886 4.120 -0.013 0.000 0.247 24 V C 2.015 178.131 176.094 0.038 0.000 1.051 24 V CA 1.874 64.191 62.300 0.028 0.000 1.036 24 V CB -0.941 30.893 31.823 0.018 0.000 0.654 24 V HN 0.399 nan 8.190 nan 0.000 0.451 25 T N -0.529 114.047 114.554 0.037 0.000 2.746 25 T HA -0.226 4.116 4.350 -0.013 0.000 0.267 25 T C 1.921 176.656 174.700 0.057 0.000 1.039 25 T CA 1.812 63.935 62.100 0.039 0.000 1.142 25 T CB -0.195 68.691 68.868 0.031 0.000 0.866 25 T HN 0.495 nan 8.240 nan 0.000 0.444 26 E N 0.966 121.207 120.200 0.069 0.000 2.072 26 E HA -0.016 4.326 4.350 -0.013 0.000 0.191 26 E C 2.041 178.719 176.600 0.130 0.000 0.985 26 E CA 0.872 57.326 56.400 0.090 0.000 0.801 26 E CB -0.507 29.251 29.700 0.097 0.000 0.750 26 E HN 0.436 nan 8.360 nan 0.000 0.452 27 L N 0.185 121.494 121.223 0.143 0.000 2.046 27 L HA -0.191 4.141 4.340 -0.013 0.000 0.208 27 L C 2.467 179.448 176.870 0.185 0.000 1.077 27 L CA 1.501 56.450 54.840 0.183 0.000 0.747 27 L CB -0.339 41.801 42.059 0.136 0.000 0.896 27 L HN 0.075 nan 8.230 nan 0.000 0.432 28 K N 0.443 120.911 120.400 0.114 0.000 2.063 28 K HA -0.232 4.080 4.320 -0.013 0.000 0.208 28 K C 2.137 178.838 176.600 0.169 0.000 1.048 28 K CA 1.899 58.245 56.287 0.097 0.000 0.928 28 K CB -0.103 32.416 32.500 0.031 0.000 0.713 28 K HN 0.357 nan 8.250 nan 0.000 0.442 29 K N 0.259 120.740 120.400 0.134 0.000 2.103 29 K HA -0.042 4.270 4.320 -0.013 0.000 0.204 29 K C 1.587 178.274 176.600 0.145 0.000 1.052 29 K CA 1.325 57.685 56.287 0.122 0.000 0.945 29 K CB -0.043 32.503 32.500 0.076 0.000 0.722 29 K HN -0.010 nan 8.250 nan 0.000 0.443 30 N N 0.380 119.178 118.700 0.164 0.000 2.270 30 N HA -0.120 4.613 4.740 -0.013 0.000 0.181 30 N C 1.581 177.250 175.510 0.266 0.000 1.016 30 N CA 0.985 54.130 53.050 0.159 0.000 0.870 30 N CB -0.242 38.346 38.487 0.170 0.000 0.979 30 N HN 0.219 nan 8.380 nan 0.000 0.431 31 F N 2.568 122.623 119.950 0.175 0.000 2.102 31 F HA -0.123 4.396 4.527 -0.012 0.000 0.298 31 F C 2.013 177.921 175.800 0.179 0.000 1.105 31 F CA 1.301 59.418 58.000 0.194 0.000 1.239 31 F CB -0.119 38.966 39.000 0.142 0.000 0.991 31 F HN -0.032 nan 8.300 nan 0.000 0.474 32 N N 0.407 119.337 118.700 0.383 0.000 2.244 32 N HA -0.173 4.560 4.740 -0.013 0.000 0.183 32 N C 1.999 177.590 175.510 0.136 0.000 1.016 32 N CA 1.071 54.269 53.050 0.247 0.000 0.866 32 N CB -0.528 38.080 38.487 0.202 0.000 0.980 32 N HN 0.373 nan 8.380 nan 0.000 0.430 33 R N 0.225 120.802 120.500 0.128 0.000 2.073 33 R HA -0.100 4.232 4.340 -0.013 0.000 0.234 33 R C 1.801 178.176 176.300 0.125 0.000 1.134 33 R CA 1.503 57.699 56.100 0.160 0.000 0.952 33 R CB -0.213 30.113 30.300 0.043 0.000 0.850 33 R HN 0.374 nan 8.270 nan 0.000 0.433 34 H N -0.335 118.774 119.070 0.065 0.000 2.357 34 H HA -0.126 4.423 4.556 -0.013 0.000 0.301 34 H C 1.902 177.166 175.328 -0.106 0.000 1.082 34 H CA 1.496 57.517 56.048 -0.046 0.000 1.342 34 H CB 0.030 29.726 29.762 -0.110 0.000 1.389 34 H HN 0.128 nan 8.280 nan 0.000 0.511 35 L N -0.002 121.202 121.223 -0.032 0.000 2.042 35 L HA -0.222 4.110 4.340 -0.013 0.000 0.210 35 L C 2.241 179.085 176.870 -0.043 0.000 1.076 35 L CA 1.966 56.760 54.840 -0.077 0.000 0.749 35 L CB -0.453 41.575 42.059 -0.051 0.000 0.893 35 L HN 0.322 nan 8.230 nan 0.000 0.432 36 H N -1.858 117.132 119.070 -0.133 0.000 2.276 36 H HA -0.074 4.474 4.556 -0.013 0.000 0.307 36 H C 1.808 176.946 175.328 -0.317 0.000 1.061 36 H CA 2.271 58.150 56.048 -0.281 0.000 1.336 36 H CB -0.256 29.240 29.762 -0.443 0.000 1.396 36 H HN 0.294 nan 8.280 nan 0.000 0.503 37 F N -0.429 119.510 119.950 -0.018 0.000 2.234 37 F HA -0.010 4.509 4.527 -0.013 0.000 0.296 37 F C 2.591 178.314 175.800 -0.128 0.000 1.089 37 F CA 1.383 59.328 58.000 -0.090 0.000 1.343 37 F CB -0.356 38.624 39.000 -0.034 0.000 1.040 37 F HN 0.181 nan 8.300 nan 0.000 0.498 38 T N -0.087 114.498 114.554 0.052 0.000 2.901 38 T HA 0.079 4.422 4.350 -0.013 0.000 0.252 38 T C 1.956 176.566 174.700 -0.150 0.000 1.035 38 T CA 0.836 62.891 62.100 -0.074 0.000 1.142 38 T CB -0.246 68.546 68.868 -0.127 0.000 0.869 38 T HN 0.102 nan 8.240 nan 0.000 0.442 39 L N 1.163 122.300 121.223 -0.143 0.000 2.477 39 L HA 0.210 4.543 4.340 -0.013 0.000 0.220 39 L C 0.354 177.129 176.870 -0.158 0.000 1.106 39 L CA -0.091 54.653 54.840 -0.161 0.000 0.851 39 L CB -0.078 41.893 42.059 -0.146 0.000 0.994 39 L HN -0.021 nan 8.230 nan 0.000 0.462 40 V N 0.607 120.411 119.914 -0.183 0.000 5.949 40 V HA -0.273 3.839 4.120 -0.013 0.000 0.287 40 V C -0.061 175.918 176.094 -0.191 0.000 0.603 40 V CA 1.110 63.273 62.300 -0.229 0.000 0.608 40 V CB -2.216 29.497 31.823 -0.182 0.000 0.259 40 V HN 0.438 nan 8.190 nan 0.000 0.742 41 K N 0.883 121.176 120.400 -0.178 0.000 2.495 41 K HA 0.774 5.087 4.320 -0.013 0.000 0.268 41 K C -0.545 176.015 176.600 -0.067 0.000 1.008 41 K CA -0.410 55.805 56.287 -0.120 0.000 0.882 41 K CB 2.782 35.207 32.500 -0.125 0.000 1.443 41 K HN 0.491 nan 8.250 nan 0.000 0.447 42 D N -1.013 119.371 120.400 -0.026 0.000 2.614 42 D HA 0.325 4.958 4.640 -0.013 0.000 0.264 42 D C 0.630 176.966 176.300 0.060 0.000 1.092 42 D CA -0.658 53.364 54.000 0.037 0.000 1.071 42 D CB 0.794 41.621 40.800 0.044 0.000 1.443 42 D HN 0.109 nan 8.370 nan 0.000 0.528 43 R N -0.100 120.473 120.500 0.121 0.000 2.241 43 R HA -0.006 4.326 4.340 -0.013 0.000 0.224 43 R C 0.904 177.284 176.300 0.133 0.000 1.101 43 R CA 0.608 56.822 56.100 0.191 0.000 0.995 43 R CB -0.750 29.660 30.300 0.183 0.000 0.870 43 R HN 0.508 nan 8.270 nan 0.000 0.463 44 N N 0.272 119.015 118.700 0.072 0.000 2.354 44 N HA -0.081 4.652 4.740 -0.013 0.000 0.179 44 N C 1.668 177.196 175.510 0.030 0.000 1.021 44 N CA 1.338 54.418 53.050 0.049 0.000 0.887 44 N CB 0.276 38.781 38.487 0.030 0.000 0.974 44 N HN 0.245 nan 8.380 nan 0.000 0.437 45 V N -2.918 117.000 119.914 0.006 0.000 3.604 45 V HA 0.519 4.632 4.120 -0.013 0.000 0.277 45 V C 0.815 176.872 176.094 -0.061 0.000 1.399 45 V CA -0.437 61.850 62.300 -0.020 0.000 1.034 45 V CB -0.335 31.470 31.823 -0.030 0.000 0.824 45 V HN 0.041 nan 8.190 nan 0.000 0.439 46 A N 2.533 125.290 122.820 -0.105 0.000 2.520 46 A HA 0.534 4.847 4.320 -0.013 0.000 0.245 46 A C 0.796 178.212 177.584 -0.280 0.000 1.072 46 A CA 0.808 52.669 52.037 -0.295 0.000 0.761 46 A CB -0.296 18.352 19.000 -0.587 0.000 1.004 46 A HN 0.828 nan 8.150 nan 0.000 0.499 47 T N 0.661 115.065 114.554 -0.249 0.000 2.902 47 T HA 0.512 4.854 4.350 -0.013 0.000 0.280 47 T C -2.033 172.603 174.700 -0.106 0.000 0.992 47 T CA -1.674 60.360 62.100 -0.110 0.000 1.015 47 T CB 1.004 69.845 68.868 -0.045 0.000 1.044 47 T HN 0.290 nan 8.240 nan 0.000 0.520 48 P HA -0.082 nan 4.420 nan 0.000 0.217 48 P C 1.593 179.008 177.300 0.191 0.000 1.148 48 P CA 0.862 64.103 63.100 0.234 0.000 0.828 48 P CB 0.053 31.855 31.700 0.169 0.000 0.783 49 R N 0.098 120.657 120.500 0.099 0.000 2.081 49 R HA -0.138 4.194 4.340 -0.013 0.000 0.235 49 R C 1.685 178.158 176.300 0.288 0.000 1.131 49 R CA 1.763 57.957 56.100 0.158 0.000 0.960 49 R CB -0.701 29.622 30.300 0.038 0.000 0.856 49 R HN 0.085 nan 8.270 nan 0.000 0.436 50 D N -0.302 120.151 120.400 0.089 0.000 2.123 50 D HA -0.203 4.429 4.640 -0.013 0.000 0.196 50 D C 1.733 178.052 176.300 0.032 0.000 0.992 50 D CA 1.388 55.389 54.000 0.001 0.000 0.833 50 D CB -0.318 40.339 40.800 -0.238 0.000 0.954 50 D HN 0.316 nan 8.370 nan 0.000 0.455 51 Y N 0.043 120.448 120.300 0.175 0.000 2.200 51 Y HA -0.197 4.345 4.550 -0.012 0.000 0.290 51 Y C 2.324 178.362 175.900 0.228 0.000 1.137 51 Y CA 0.327 58.572 58.100 0.241 0.000 1.163 51 Y CB -1.135 37.519 38.460 0.324 0.000 0.988 51 Y HN 0.082 nan 8.280 nan 0.000 0.518 52 Y N -0.417 120.024 120.300 0.234 0.000 2.128 52 Y HA -0.307 4.235 4.550 -0.013 0.000 0.284 52 Y C 1.996 177.865 175.900 -0.052 0.000 1.154 52 Y CA 1.413 59.545 58.100 0.053 0.000 1.149 52 Y CB -1.155 37.238 38.460 -0.111 0.000 0.976 52 Y HN 0.053 nan 8.280 nan 0.000 0.505 53 F N 0.194 119.929 119.950 -0.359 0.000 2.171 53 F HA -0.149 4.371 4.527 -0.012 0.000 0.300 53 F C 2.648 178.277 175.800 -0.286 0.000 1.090 53 F CA 1.297 59.024 58.000 -0.454 0.000 1.293 53 F CB -0.825 38.088 39.000 -0.146 0.000 1.013 53 F HN 0.211 nan 8.300 nan 0.000 0.486 54 A N -0.149 122.614 122.820 -0.095 0.000 1.902 54 A HA -0.190 4.123 4.320 -0.013 0.000 0.217 54 A C 2.061 179.494 177.584 -0.253 0.000 1.181 54 A CA 1.604 53.444 52.037 -0.329 0.000 0.623 54 A CB -1.009 17.455 19.000 -0.892 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.229 120.969 121.223 -0.040 0.000 2.027 55 L HA -0.029 4.304 4.340 -0.013 0.000 0.206 55 L C 2.698 179.543 176.870 -0.043 0.000 1.074 55 L CA 2.227 57.175 54.840 0.180 0.000 0.745 55 L CB -1.027 41.212 42.059 0.299 0.000 0.898 55 L HN 0.346 nan 8.230 nan 0.000 0.433 56 A N -1.238 121.372 122.820 -0.350 0.000 1.883 56 A HA -0.292 4.021 4.320 -0.013 0.000 0.217 56 A C 2.155 179.373 177.584 -0.610 0.000 1.186 56 A CA 2.055 53.757 52.037 -0.558 0.000 0.624 56 A CB -1.151 17.175 19.000 -1.123 0.000 0.822 56 A HN 0.689 nan 8.150 nan 0.000 0.444 57 H N -0.861 117.883 119.070 -0.544 0.000 2.387 57 H HA -0.067 4.482 4.556 -0.012 0.000 0.299 57 H C 2.333 177.367 175.328 -0.490 0.000 1.090 57 H CA 1.962 57.612 56.048 -0.662 0.000 1.332 57 H CB -0.147 28.974 29.762 -1.069 0.000 1.386 57 H HN 0.470 nan 8.280 nan 0.000 0.516 58 T N -0.352 114.130 114.554 -0.118 0.000 2.777 58 T HA -0.124 4.219 4.350 -0.013 0.000 0.266 58 T C 2.252 177.107 174.700 0.258 0.000 1.040 58 T CA 1.312 63.530 62.100 0.198 0.000 1.141 58 T CB -0.340 68.715 68.868 0.312 0.000 0.868 58 T HN 0.098 nan 8.240 nan 0.000 0.444 59 V N 1.565 121.601 119.914 0.202 0.000 2.358 59 V HA -0.111 4.002 4.120 -0.013 0.000 0.246 59 V C 2.612 178.879 176.094 0.287 0.000 1.047 59 V CA 1.510 63.972 62.300 0.269 0.000 1.035 59 V CB -0.637 31.340 31.823 0.255 0.000 0.658 59 V HN 0.369 nan 8.190 nan 0.000 0.452 60 R N 0.304 120.920 120.500 0.192 0.000 2.103 60 R HA -0.235 4.097 4.340 -0.013 0.000 0.242 60 R C 1.987 178.388 176.300 0.169 0.000 1.142 60 R CA 2.224 58.434 56.100 0.184 0.000 0.960 60 R CB -0.464 29.791 30.300 -0.076 0.000 0.858 60 R HN 0.471 nan 8.270 nan 0.000 0.439 61 D N -0.155 120.329 120.400 0.140 0.000 2.158 61 D HA -0.184 4.448 4.640 -0.013 0.000 0.197 61 D C 1.789 178.111 176.300 0.036 0.000 0.995 61 D CA 1.209 55.265 54.000 0.093 0.000 0.846 61 D CB -0.443 40.402 40.800 0.074 0.000 0.941 61 D HN 0.463 nan 8.370 nan 0.000 0.456 62 H N -0.285 118.849 119.070 0.107 0.000 2.491 62 H HA 0.023 4.572 4.556 -0.012 0.000 0.290 62 H C 2.276 177.646 175.328 0.069 0.000 1.050 62 H CA 0.401 56.495 56.048 0.078 0.000 1.309 62 H CB 0.199 29.999 29.762 0.063 0.000 1.392 62 H HN 0.206 nan 8.280 nan 0.000 0.554 63 L N 0.553 121.888 121.223 0.186 0.000 2.131 63 L HA -0.122 4.210 4.340 -0.013 0.000 0.206 63 L C 2.786 179.762 176.870 0.177 0.000 1.087 63 L CA 0.647 55.560 54.840 0.122 0.000 0.767 63 L CB -0.193 41.906 42.059 0.067 0.000 0.917 63 L HN 0.126 nan 8.230 nan 0.000 0.441 64 V N -2.628 117.416 119.914 0.216 0.000 2.343 64 V HA -0.111 4.002 4.120 -0.013 0.000 0.247 64 V C 2.336 178.551 176.094 0.202 0.000 1.051 64 V CA 1.885 64.357 62.300 0.287 0.000 1.036 64 V CB -1.783 30.174 31.823 0.223 0.000 0.654 64 V HN 0.382 nan 8.190 nan 0.000 0.451 65 G N 0.440 109.311 108.800 0.119 0.000 2.446 65 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.217 65 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.217 65 G C 1.762 176.711 174.900 0.081 0.000 1.168 65 G CA 1.044 46.188 45.100 0.074 0.000 0.771 65 G HN 0.545 nan 8.290 nan 0.000 0.551 66 R N -1.457 119.100 120.500 0.095 0.000 2.092 66 R HA -0.064 4.269 4.340 -0.013 0.000 0.231 66 R C 2.266 178.647 176.300 0.136 0.000 1.119 66 R CA 1.131 57.275 56.100 0.073 0.000 0.970 66 R CB -0.371 29.955 30.300 0.044 0.000 0.864 66 R HN 0.468 nan 8.270 nan 0.000 0.440 67 W N 1.577 122.859 121.300 -0.030 0.000 2.355 67 W HA -0.081 4.571 4.660 -0.012 0.000 0.309 67 W C 1.725 178.220 176.519 -0.040 0.000 1.206 67 W CA 0.947 58.273 57.345 -0.033 0.000 1.284 67 W CB -0.587 28.873 29.460 -0.001 0.000 1.145 67 W HN -0.031 nan 8.180 nan 0.000 0.502 68 I N 0.845 121.475 120.570 0.099 0.000 2.226 68 I HA -0.331 3.831 4.170 -0.013 0.000 0.245 68 I C 2.685 178.789 176.117 -0.022 0.000 1.100 68 I CA 2.033 63.311 61.300 -0.038 0.000 1.374 68 I CB -0.616 37.366 38.000 -0.031 0.000 1.057 68 I HN -0.018 nan 8.210 nan 0.000 0.413 69 R N 0.309 120.811 120.500 0.003 0.000 2.153 69 R HA -0.040 4.292 4.340 -0.013 0.000 0.218 69 R C 1.877 178.145 176.300 -0.053 0.000 1.072 69 R CA 1.443 57.534 56.100 -0.014 0.000 0.990 69 R CB -0.976 29.316 30.300 -0.014 0.000 0.889 69 R HN 0.152 nan 8.270 nan 0.000 0.452 70 T N 1.629 116.131 114.554 -0.088 0.000 2.674 70 T HA -0.096 4.247 4.350 -0.013 0.000 0.265 70 T C 1.762 176.208 174.700 -0.423 0.000 1.039 70 T CA 1.325 63.263 62.100 -0.270 0.000 1.150 70 T CB -0.120 68.618 68.868 -0.217 0.000 0.864 70 T HN 0.259 nan 8.240 nan 0.000 0.427 71 Q N 0.920 120.607 119.800 -0.188 0.000 2.224 71 Q HA -0.024 4.309 4.340 -0.013 0.000 0.203 71 Q C 2.257 178.273 176.000 0.027 0.000 0.970 71 Q CA 1.079 56.844 55.803 -0.062 0.000 0.865 71 Q CB -0.364 28.363 28.738 -0.017 0.000 0.922 71 Q HN 0.602 nan 8.270 nan 0.000 0.445 72 Q N -0.366 119.440 119.800 0.010 0.000 2.046 72 Q HA -0.200 4.133 4.340 -0.013 0.000 0.200 72 Q C 2.005 178.093 176.000 0.147 0.000 0.975 72 Q CA 1.477 57.330 55.803 0.084 0.000 0.836 72 Q CB -0.090 28.680 28.738 0.053 0.000 0.896 72 Q HN 0.479 nan 8.270 nan 0.000 0.428 73 H N -0.898 118.152 119.070 -0.033 0.000 2.319 73 H HA -0.199 4.350 4.556 -0.012 0.000 0.299 73 H C 1.335 176.734 175.328 0.118 0.000 1.092 73 H CA 2.123 58.163 56.048 -0.013 0.000 1.302 73 H CB -0.151 29.539 29.762 -0.120 0.000 1.373 73 H HN 0.317 nan 8.280 nan 0.000 0.497 74 Y N -1.084 119.243 120.300 0.045 0.000 2.224 74 Y HA -0.182 4.361 4.550 -0.013 0.000 0.289 74 Y C 2.419 178.347 175.900 0.046 0.000 1.146 74 Y CA 1.071 59.171 58.100 0.000 0.000 1.182 74 Y CB -1.320 37.199 38.460 0.098 0.000 0.983 74 Y HN 0.366 nan 8.280 nan 0.000 0.524 75 Y N 1.131 121.513 120.300 0.137 0.000 2.242 75 Y HA -0.142 4.401 4.550 -0.013 0.000 0.291 75 Y C 2.038 177.958 175.900 0.033 0.000 1.137 75 Y CA 1.502 59.648 58.100 0.077 0.000 1.181 75 Y CB 0.016 38.511 38.460 0.059 0.000 0.989 75 Y HN 0.016 nan 8.280 nan 0.000 0.527 76 E N 0.288 120.481 120.200 -0.012 0.000 2.051 76 E HA -0.117 4.225 4.350 -0.013 0.000 0.189 76 E C 1.986 178.510 176.600 -0.126 0.000 0.979 76 E CA 1.015 57.355 56.400 -0.100 0.000 0.803 76 E CB -0.205 29.497 29.700 0.004 0.000 0.761 76 E HN 0.462 nan 8.360 nan 0.000 0.451 77 K N 0.769 121.080 120.400 -0.148 0.000 2.296 77 K HA -0.082 4.230 4.320 -0.013 0.000 0.200 77 K C -0.038 176.511 176.600 -0.084 0.000 1.048 77 K CA 0.449 56.651 56.287 -0.143 0.000 0.966 77 K CB -0.040 32.295 32.500 -0.274 0.000 0.754 77 K HN 0.001 nan 8.250 nan 0.000 0.466 78 D N 1.101 121.459 120.400 -0.070 0.000 2.740 78 D HA -0.105 4.528 4.640 -0.013 0.000 0.231 78 D C -2.403 173.865 176.300 -0.054 0.000 1.194 78 D CA 0.088 54.060 54.000 -0.045 0.000 0.673 78 D CB -0.069 40.706 40.800 -0.042 0.000 0.995 78 D HN 0.175 nan 8.370 nan 0.000 0.411 79 P HA 0.093 nan 4.420 nan 0.000 0.276 79 P C -0.145 177.080 177.300 -0.126 0.000 1.261 79 P CA -0.586 62.458 63.100 -0.094 0.000 0.800 79 P CB 0.608 32.240 31.700 -0.114 0.000 1.066 80 K N 1.216 121.540 120.400 -0.127 0.000 2.451 80 K HA 0.044 4.356 4.320 -0.013 0.000 0.280 80 K C -0.075 176.403 176.600 -0.203 0.000 1.020 80 K CA 0.046 56.242 56.287 -0.151 0.000 1.008 80 K CB 0.178 32.609 32.500 -0.116 0.000 0.917 80 K HN 0.258 nan 8.250 nan 0.000 0.478 81 R N 3.660 124.016 120.500 -0.239 0.000 2.368 81 R HA 0.353 4.685 4.340 -0.013 0.000 0.302 81 R C -0.557 175.425 176.300 -0.531 0.000 1.002 81 R CA -0.516 55.358 56.100 -0.376 0.000 0.929 81 R CB 0.878 30.942 30.300 -0.393 0.000 1.073 81 R HN 0.497 nan 8.270 nan 0.000 0.464 82 I N 4.247 124.465 120.570 -0.586 0.000 2.339 82 I HA 0.216 4.378 4.170 -0.013 0.000 0.290 82 I C -0.708 175.090 176.117 -0.531 0.000 0.994 82 I CA -0.838 60.083 61.300 -0.631 0.000 1.191 82 I CB 0.888 38.405 38.000 -0.804 0.000 1.343 82 I HN 0.536 nan 8.210 nan 0.000 0.458 83 Y N 5.952 126.204 120.300 -0.081 0.000 2.402 83 Y HA 0.288 4.830 4.550 -0.012 0.000 0.332 83 Y C -0.283 175.714 175.900 0.162 0.000 0.960 83 Y CA -0.751 57.425 58.100 0.126 0.000 1.228 83 Y CB 1.034 39.527 38.460 0.054 0.000 1.120 83 Y HN 0.398 nan 8.280 nan 0.000 0.491 84 Y N 4.501 124.978 120.300 0.295 0.000 2.454 84 Y HA 0.466 5.008 4.550 -0.012 0.000 0.345 84 Y C -1.187 174.978 175.900 0.441 0.000 0.970 84 Y CA -0.893 57.390 58.100 0.306 0.000 1.204 84 Y CB 0.287 38.928 38.460 0.302 0.000 1.122 84 Y HN 0.503 nan 8.280 nan 0.000 0.514 85 L N 5.020 126.297 121.223 0.088 0.000 2.265 85 L HA 0.470 4.802 4.340 -0.013 0.000 0.288 85 L C -0.228 176.669 176.870 0.044 0.000 1.058 85 L CA 0.142 55.091 54.840 0.181 0.000 0.809 85 L CB 1.284 43.412 42.059 0.115 0.000 1.179 85 L HN 0.568 nan 8.230 nan 0.000 0.429 86 S N 2.469 118.282 115.700 0.188 0.000 2.536 86 S HA 0.490 4.952 4.470 -0.013 0.000 0.271 86 S C 0.316 175.011 174.600 0.158 0.000 1.134 86 S CA -0.520 57.686 58.200 0.009 0.000 0.897 86 S CB 1.023 63.989 63.200 -0.389 0.000 1.094 86 S HN 0.480 nan 8.310 nan 0.000 0.473 87 L N 2.850 124.200 121.223 0.211 0.000 2.599 87 L HA 0.406 4.739 4.340 -0.013 0.000 0.230 87 L C 0.342 177.410 176.870 0.330 0.000 1.141 87 L CA 1.005 56.037 54.840 0.321 0.000 0.877 87 L CB -0.056 42.210 42.059 0.344 0.000 1.009 87 L HN 0.634 nan 8.230 nan 0.000 0.447 88 E N -1.206 119.055 120.200 0.101 0.000 2.275 88 E HA 0.390 4.733 4.350 -0.013 0.000 0.270 88 E C -1.380 175.092 176.600 -0.214 0.000 0.882 88 E CA -0.419 56.018 56.400 0.061 0.000 0.758 88 E CB 1.768 31.477 29.700 0.015 0.000 1.195 88 E HN -0.157 nan 8.360 nan 0.000 0.419 89 F N 2.243 122.301 119.950 0.180 0.000 2.610 89 F HA 0.190 4.709 4.527 -0.013 0.000 0.355 89 F C -0.783 175.101 175.800 0.141 0.000 1.140 89 F CA -0.776 57.318 58.000 0.157 0.000 1.037 89 F CB 0.939 40.024 39.000 0.142 0.000 1.287 89 F HN 0.489 nan 8.300 nan 0.000 0.457 90 Y N 5.243 125.617 120.300 0.123 0.000 2.632 90 Y HA 0.220 4.763 4.550 -0.012 0.000 0.336 90 Y C 0.900 176.819 175.900 0.032 0.000 1.237 90 Y CA -0.960 57.163 58.100 0.039 0.000 1.595 90 Y CB 0.336 38.804 38.460 0.014 0.000 1.508 90 Y HN 0.553 nan 8.280 nan 0.000 0.480 91 M N 1.308 121.025 119.600 0.195 0.000 2.334 91 M HA 0.135 4.607 4.480 -0.013 0.000 0.266 91 M C 1.562 177.833 176.300 -0.048 0.000 1.082 91 M CA 1.028 56.359 55.300 0.052 0.000 1.141 91 M CB -1.099 31.511 32.600 0.016 0.000 1.380 91 M HN 0.688 nan 8.290 nan 0.000 0.440 92 G N 1.363 110.140 108.800 -0.039 0.000 2.569 92 G HA2 -0.277 3.675 3.960 -0.013 0.000 0.259 92 G HA3 -0.277 3.675 3.960 -0.013 0.000 0.259 92 G C -0.229 174.620 174.900 -0.084 0.000 1.263 92 G CA -0.298 44.745 45.100 -0.096 0.000 0.928 92 G HN 0.440 nan 8.290 nan 0.000 0.572 93 R N -0.679 119.755 120.500 -0.111 0.000 2.582 93 R HA 0.553 4.885 4.340 -0.013 0.000 0.271 93 R C 1.079 177.266 176.300 -0.189 0.000 1.078 93 R CA 0.348 56.393 56.100 -0.091 0.000 1.127 93 R CB 0.681 30.933 30.300 -0.080 0.000 1.038 93 R HN 0.519 nan 8.270 nan 0.000 0.500 94 T N 1.217 115.616 114.554 -0.259 0.000 2.969 94 T HA -0.006 4.336 4.350 -0.013 0.000 0.250 94 T C 1.411 175.754 174.700 -0.595 0.000 1.021 94 T CA -0.131 61.608 62.100 -0.603 0.000 1.003 94 T CB 0.148 68.279 68.868 -1.229 0.000 1.040 94 T HN 0.311 nan 8.240 nan 0.000 0.492 95 L N 1.916 123.023 121.223 -0.194 0.000 1.976 95 L HA -0.002 4.331 4.340 -0.013 0.000 0.209 95 L C 2.446 179.291 176.870 -0.042 0.000 1.071 95 L CA 2.002 56.874 54.840 0.054 0.000 0.746 95 L CB -0.699 41.587 42.059 0.380 0.000 0.890 95 L HN 0.169 nan 8.230 nan 0.000 0.432 96 Q N -0.754 119.016 119.800 -0.051 0.000 2.084 96 Q HA -0.248 4.085 4.340 -0.013 0.000 0.202 96 Q C 2.227 178.156 176.000 -0.117 0.000 0.978 96 Q CA 1.791 57.554 55.803 -0.067 0.000 0.844 96 Q CB -0.288 28.407 28.738 -0.072 0.000 0.898 96 Q HN 0.696 nan 8.270 nan 0.000 0.426 97 N N -0.996 117.595 118.700 -0.182 0.000 2.104 97 N HA -0.154 4.579 4.740 -0.013 0.000 0.190 97 N C 1.353 176.756 175.510 -0.178 0.000 1.024 97 N CA 1.795 54.727 53.050 -0.197 0.000 0.853 97 N CB 0.072 38.407 38.487 -0.252 0.000 1.008 97 N HN 0.216 nan 8.380 nan 0.000 0.424 98 T N 1.283 115.699 114.554 -0.231 0.000 2.777 98 T HA -0.049 4.293 4.350 -0.013 0.000 0.266 98 T C 2.075 176.713 174.700 -0.105 0.000 1.040 98 T CA 1.031 63.011 62.100 -0.200 0.000 1.141 98 T CB -0.067 68.636 68.868 -0.275 0.000 0.868 98 T HN 0.257 nan 8.240 nan 0.000 0.444 99 M N 0.633 120.189 119.600 -0.073 0.000 2.080 99 M HA -0.108 4.365 4.480 -0.013 0.000 0.260 99 M C 2.492 178.758 176.300 -0.057 0.000 1.068 99 M CA 1.343 56.613 55.300 -0.050 0.000 1.109 99 M CB -0.754 31.832 32.600 -0.022 0.000 1.342 99 M HN 0.097 nan 8.290 nan 0.000 0.405 100 V N 1.055 120.942 119.914 -0.046 0.000 2.252 100 V HA -0.301 3.812 4.120 -0.013 0.000 0.249 100 V C 1.834 177.935 176.094 0.012 0.000 1.056 100 V CA 2.104 64.403 62.300 -0.002 0.000 1.022 100 V CB -0.940 30.886 31.823 0.005 0.000 0.641 100 V HN 0.482 nan 8.190 nan 0.000 0.445 101 N N -0.452 118.241 118.700 -0.011 0.000 2.459 101 N HA -0.043 4.689 4.740 -0.013 0.000 0.181 101 N C 1.063 176.475 175.510 -0.164 0.000 1.046 101 N CA 0.727 53.751 53.050 -0.043 0.000 0.904 101 N CB -0.112 38.360 38.487 -0.026 0.000 0.964 101 N HN 0.298 nan 8.380 nan 0.000 0.444 102 L N -0.270 120.874 121.223 -0.132 0.000 2.640 102 L HA 0.402 4.734 4.340 -0.013 0.000 0.230 102 L C 0.560 177.341 176.870 -0.148 0.000 1.123 102 L CA -0.244 54.516 54.840 -0.134 0.000 0.900 102 L CB -0.696 41.306 42.059 -0.096 0.000 1.146 102 L HN 0.085 nan 8.230 nan 0.000 0.484 103 A N -0.478 122.251 122.820 -0.151 0.000 2.846 103 A HA -0.212 4.101 4.320 -0.013 0.000 0.287 103 A C 0.997 178.520 177.584 -0.102 0.000 1.469 103 A CA 0.921 52.882 52.037 -0.126 0.000 0.757 103 A CB -1.905 17.009 19.000 -0.144 0.000 1.033 103 A HN 0.209 nan 8.150 nan 0.000 0.516 104 L N -0.956 120.209 121.223 -0.097 0.000 2.766 104 L HA 0.272 4.604 4.340 -0.013 0.000 0.242 104 L C 1.797 178.630 176.870 -0.062 0.000 1.136 104 L CA 1.469 56.247 54.840 -0.104 0.000 0.933 104 L CB -0.200 41.771 42.059 -0.147 0.000 1.241 104 L HN 0.626 nan 8.230 nan 0.000 0.522 105 E N -0.179 119.994 120.200 -0.045 0.000 2.051 105 E HA -0.215 4.127 4.350 -0.013 0.000 0.192 105 E C 1.553 178.140 176.600 -0.023 0.000 0.991 105 E CA 1.301 57.686 56.400 -0.026 0.000 0.799 105 E CB 0.292 29.979 29.700 -0.021 0.000 0.748 105 E HN 0.391 nan 8.360 nan 0.000 0.449 106 N N 0.182 118.865 118.700 -0.028 0.000 2.142 106 N HA -0.129 4.603 4.740 -0.013 0.000 0.186 106 N C 1.593 177.087 175.510 -0.026 0.000 1.023 106 N CA 1.260 54.292 53.050 -0.029 0.000 0.852 106 N CB -0.407 38.062 38.487 -0.030 0.000 0.998 106 N HN 0.213 nan 8.380 nan 0.000 0.424 107 A N 0.448 123.251 122.820 -0.029 0.000 1.877 107 A HA -0.154 4.158 4.320 -0.013 0.000 0.216 107 A C 2.670 180.247 177.584 -0.011 0.000 1.186 107 A CA 1.412 53.436 52.037 -0.023 0.000 0.620 107 A CB -1.034 17.944 19.000 -0.036 0.000 0.822 107 A HN 0.447 nan 8.150 nan 0.000 0.443 108 C N -0.886 118.408 119.300 -0.011 0.000 2.440 108 C HA -0.063 4.389 4.460 -0.013 0.000 0.278 108 C C 2.467 177.460 174.990 0.005 0.000 1.295 108 C CA 1.106 60.129 59.018 0.009 0.000 1.738 108 C CB -1.132 26.624 27.740 0.027 0.000 1.987 108 C HN 0.714 nan 8.230 nan 0.000 0.492 109 D N 0.742 121.143 120.400 0.002 0.000 2.097 109 D HA -0.149 4.484 4.640 -0.013 0.000 0.195 109 D C 2.118 178.430 176.300 0.020 0.000 0.989 109 D CA 1.563 55.566 54.000 0.005 0.000 0.827 109 D CB -0.239 40.551 40.800 -0.015 0.000 0.966 109 D HN 0.453 nan 8.370 nan 0.000 0.456 110 E N 0.170 120.373 120.200 0.006 0.000 2.028 110 E HA -0.057 4.286 4.350 -0.013 0.000 0.191 110 E C 1.913 178.547 176.600 0.057 0.000 0.988 110 E CA 1.628 58.048 56.400 0.034 0.000 0.799 110 E CB -0.649 29.055 29.700 0.007 0.000 0.755 110 E HN 0.222 nan 8.360 nan 0.000 0.447 111 A N -0.119 122.705 122.820 0.008 0.000 1.883 111 A HA -0.239 4.074 4.320 -0.013 0.000 0.217 111 A C 2.495 180.011 177.584 -0.114 0.000 1.186 111 A CA 3.015 55.032 52.037 -0.034 0.000 0.624 111 A CB -1.495 17.490 19.000 -0.025 0.000 0.822 111 A HN 0.528 nan 8.150 nan 0.000 0.444 112 T N -3.866 110.614 114.554 -0.122 0.000 2.857 112 T HA -0.189 4.154 4.350 -0.013 0.000 0.266 112 T C 1.844 176.465 174.700 -0.131 0.000 1.048 112 T CA 1.454 63.423 62.100 -0.218 0.000 1.139 112 T CB -0.578 68.199 68.868 -0.151 0.000 0.874 112 T HN 0.462 nan 8.240 nan 0.000 0.455 113 Y N 2.182 122.404 120.300 -0.131 0.000 2.165 113 Y HA -0.103 4.440 4.550 -0.012 0.000 0.286 113 Y C 2.618 178.457 175.900 -0.102 0.000 1.155 113 Y CA 1.584 59.625 58.100 -0.099 0.000 1.164 113 Y CB -0.447 37.974 38.460 -0.065 0.000 0.978 113 Y HN 0.246 nan 8.280 nan 0.000 0.513 114 Q N -0.988 118.762 119.800 -0.084 0.000 2.297 114 Q HA -0.100 4.233 4.340 -0.013 0.000 0.204 114 Q C 1.480 177.363 176.000 -0.195 0.000 0.962 114 Q CA 0.713 56.429 55.803 -0.143 0.000 0.879 114 Q CB -0.005 28.715 28.738 -0.030 0.000 0.947 114 Q HN 0.353 nan 8.270 nan 0.000 0.462 115 L N -0.978 120.107 121.223 -0.231 0.000 2.591 115 L HA 0.144 4.477 4.340 -0.013 0.000 0.228 115 L C 1.140 177.845 176.870 -0.275 0.000 1.133 115 L CA 1.235 55.919 54.840 -0.260 0.000 0.880 115 L CB -0.334 41.485 42.059 -0.400 0.000 1.033 115 L HN 0.316 nan 8.230 nan 0.000 0.450 116 G N -0.268 108.352 108.800 -0.301 0.000 2.142 116 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.225 116 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.225 116 G C 0.021 174.773 174.900 -0.247 0.000 1.015 116 G CA 0.195 45.125 45.100 -0.284 0.000 0.716 116 G HN 0.271 nan 8.290 nan 0.000 0.508 117 L N -0.234 120.843 121.223 -0.243 0.000 2.341 117 L HA 0.637 4.969 4.340 -0.013 0.000 0.267 117 L C -0.607 176.223 176.870 -0.068 0.000 1.009 117 L CA -1.200 53.529 54.840 -0.186 0.000 0.819 117 L CB 1.911 43.801 42.059 -0.281 0.000 1.323 117 L HN 0.073 nan 8.230 nan 0.000 0.425 118 D N 1.862 122.253 120.400 -0.015 0.000 2.359 118 D HA 0.194 4.827 4.640 -0.013 0.000 0.230 118 D C 0.594 176.920 176.300 0.044 0.000 1.118 118 D CA -0.231 53.791 54.000 0.037 0.000 0.844 118 D CB 1.579 42.406 40.800 0.045 0.000 1.059 118 D HN 0.505 nan 8.370 nan 0.000 0.493 119 M N 3.161 122.789 119.600 0.047 0.000 2.159 119 M HA -0.138 4.335 4.480 -0.013 0.000 0.263 119 M C 1.311 177.650 176.300 0.066 0.000 1.063 119 M CA 1.511 56.847 55.300 0.060 0.000 1.110 119 M CB 0.210 32.840 32.600 0.049 0.000 1.374 119 M HN 0.421 nan 8.290 nan 0.000 0.411 120 E N -0.250 119.980 120.200 0.050 0.000 2.153 120 E HA -0.253 4.090 4.350 -0.013 0.000 0.194 120 E C 1.826 178.455 176.600 0.048 0.000 0.988 120 E CA 1.311 57.736 56.400 0.043 0.000 0.811 120 E CB -0.174 29.548 29.700 0.036 0.000 0.746 120 E HN 0.648 nan 8.360 nan 0.000 0.466 121 E N 0.524 120.757 120.200 0.055 0.000 2.072 121 E HA -0.185 4.157 4.350 -0.013 0.000 0.191 121 E C 1.915 178.553 176.600 0.064 0.000 0.985 121 E CA 0.541 56.975 56.400 0.056 0.000 0.801 121 E CB 0.188 29.924 29.700 0.059 0.000 0.750 121 E HN 0.079 nan 8.360 nan 0.000 0.452 122 L N 1.506 122.788 121.223 0.098 0.000 2.093 122 L HA -0.130 4.203 4.340 -0.013 0.000 0.208 122 L C 2.068 178.994 176.870 0.093 0.000 1.085 122 L CA 1.609 56.540 54.840 0.151 0.000 0.755 122 L CB -0.717 41.483 42.059 0.236 0.000 0.904 122 L HN 0.147 nan 8.230 nan 0.000 0.435 123 E N -0.660 119.584 120.200 0.074 0.000 2.153 123 E HA -0.200 4.142 4.350 -0.013 0.000 0.194 123 E C 1.839 178.393 176.600 -0.077 0.000 0.988 123 E CA 0.863 57.277 56.400 0.023 0.000 0.811 123 E CB 0.024 29.743 29.700 0.032 0.000 0.746 123 E HN 0.425 nan 8.360 nan 0.000 0.466 124 E N 0.240 120.410 120.200 -0.051 0.000 2.338 124 E HA -0.114 4.229 4.350 -0.013 0.000 0.197 124 E C 1.902 178.431 176.600 -0.118 0.000 1.007 124 E CA 0.543 56.912 56.400 -0.051 0.000 0.849 124 E CB 0.031 29.738 29.700 0.012 0.000 0.774 124 E HN 0.399 nan 8.360 nan 0.000 0.506 125 I N 0.991 121.429 120.570 -0.221 0.000 2.439 125 I HA -0.126 4.036 4.170 -0.013 0.000 0.251 125 I C 1.425 177.234 176.117 -0.513 0.000 1.139 125 I CA 0.317 61.422 61.300 -0.325 0.000 1.438 125 I CB 0.049 37.866 38.000 -0.306 0.000 1.085 125 I HN -0.018 nan 8.210 nan 0.000 0.427 126 E N 2.661 122.418 120.200 -0.738 0.000 2.415 126 E HA -0.057 4.286 4.350 -0.013 0.000 0.263 126 E C -0.221 176.281 176.600 -0.163 0.000 0.995 126 E CA -0.189 55.848 56.400 -0.605 0.000 0.915 126 E CB 0.578 30.034 29.700 -0.407 0.000 0.951 126 E HN 0.086 nan 8.360 nan 0.000 0.449 127 E N 3.479 123.683 120.200 0.006 0.000 2.354 127 E HA 0.054 4.396 4.350 -0.013 0.000 0.269 127 E C -0.809 175.890 176.600 0.166 0.000 1.036 127 E CA -0.193 56.296 56.400 0.148 0.000 0.876 127 E CB 0.718 30.601 29.700 0.304 0.000 1.009 127 E HN 0.490 nan 8.360 nan 0.000 0.416 128 D N 0.840 121.308 120.400 0.113 0.000 2.455 128 D HA 0.126 4.758 4.640 -0.013 0.000 0.241 128 D C -0.286 176.039 176.300 0.041 0.000 1.138 128 D CA 0.250 54.286 54.000 0.060 0.000 0.877 128 D CB 0.552 41.368 40.800 0.027 0.000 1.187 128 D HN 0.369 nan 8.370 nan 0.000 0.451 129 A N 2.484 125.273 122.820 -0.052 0.000 2.671 129 A HA 0.468 4.780 4.320 -0.013 0.000 0.306 129 A C 1.018 178.426 177.584 -0.294 0.000 1.473 129 A CA -0.415 51.375 52.037 -0.410 0.000 1.155 129 A CB -0.264 18.573 19.000 -0.271 0.000 1.123 129 A HN 0.541 nan 8.150 nan 0.000 0.545 130 G N 2.035 110.621 108.800 -0.356 0.000 3.741 130 G HA2 0.417 4.369 3.960 -0.013 0.000 0.263 130 G HA3 0.417 4.369 3.960 -0.013 0.000 0.263 130 G C 0.303 175.018 174.900 -0.308 0.000 1.175 130 G CA -0.296 44.715 45.100 -0.149 0.000 1.642 130 G HN 0.688 nan 8.290 nan 0.000 0.644 131 L N 1.308 122.388 121.223 -0.239 0.000 2.862 131 L HA 0.383 4.715 4.340 -0.013 0.000 0.240 131 L C 1.048 177.849 176.870 -0.116 0.000 1.283 131 L CA -0.219 54.562 54.840 -0.098 0.000 1.117 131 L CB -0.300 41.821 42.059 0.103 0.000 1.444 131 L HN 0.325 nan 8.230 nan 0.000 0.456 132 G N -1.309 107.199 108.800 -0.487 0.000 2.649 132 G HA2 0.212 4.165 3.960 -0.013 0.000 0.290 132 G HA3 0.212 4.165 3.960 -0.013 0.000 0.290 132 G C -0.158 174.201 174.900 -0.902 0.000 1.426 132 G CA -0.437 44.307 45.100 -0.594 0.000 0.794 132 G HN -0.091 nan 8.290 nan 0.000 0.483 133 N N -0.878 117.537 118.700 -0.475 0.000 2.436 133 N HA 0.215 4.947 4.740 -0.013 0.000 0.178 133 N C 1.138 176.630 175.510 -0.030 0.000 1.026 133 N CA 1.270 54.169 53.050 -0.251 0.000 0.880 133 N CB 1.283 39.749 38.487 -0.034 0.000 1.061 133 N HN 0.806 nan 8.380 nan 0.000 0.434 134 G N -0.654 108.225 108.800 0.132 0.000 2.947 134 G HA2 0.192 4.145 3.960 -0.013 0.000 0.115 134 G HA3 0.192 4.145 3.960 -0.013 0.000 0.115 134 G C 0.718 175.772 174.900 0.256 0.000 1.214 134 G CA 0.262 45.559 45.100 0.328 0.000 1.324 134 G HN 0.169 nan 8.290 nan 0.000 0.645 135 G N 0.451 109.332 108.800 0.135 0.000 2.446 135 G HA2 -0.064 3.889 3.960 -0.013 0.000 0.217 135 G HA3 -0.064 3.889 3.960 -0.013 0.000 0.217 135 G C 1.898 176.803 174.900 0.008 0.000 1.168 135 G CA 1.519 46.656 45.100 0.062 0.000 0.771 135 G HN 0.841 nan 8.290 nan 0.000 0.551 136 L N 0.602 121.791 121.223 -0.056 0.000 2.046 136 L HA 0.087 4.419 4.340 -0.013 0.000 0.208 136 L C 2.776 179.572 176.870 -0.124 0.000 1.077 136 L CA 2.059 56.758 54.840 -0.234 0.000 0.747 136 L CB -0.556 41.292 42.059 -0.351 0.000 0.896 136 L HN 0.229 nan 8.230 nan 0.000 0.432 137 G N -0.643 108.150 108.800 -0.012 0.000 2.403 137 G HA2 -0.285 3.668 3.960 -0.013 0.000 0.216 137 G HA3 -0.285 3.668 3.960 -0.013 0.000 0.216 137 G C 1.640 176.625 174.900 0.141 0.000 1.154 137 G CA 0.652 45.772 45.100 0.034 0.000 0.784 137 G HN 0.313 nan 8.290 nan 0.000 0.538 138 R N -0.013 120.610 120.500 0.205 0.000 2.115 138 R HA 0.151 4.483 4.340 -0.013 0.000 0.226 138 R C 2.289 178.608 176.300 0.032 0.000 1.100 138 R CA 0.735 56.920 56.100 0.143 0.000 0.980 138 R CB -0.847 29.494 30.300 0.068 0.000 0.875 138 R HN 0.316 nan 8.270 nan 0.000 0.445 139 L N 0.206 121.381 121.223 -0.079 0.000 2.042 139 L HA -0.032 4.300 4.340 -0.013 0.000 0.210 139 L C 2.089 178.689 176.870 -0.450 0.000 1.076 139 L CA 2.178 56.832 54.840 -0.311 0.000 0.749 139 L CB -0.810 41.030 42.059 -0.365 0.000 0.893 139 L HN 0.266 nan 8.230 nan 0.000 0.432 140 A N -0.685 122.004 122.820 -0.219 0.000 1.902 140 A HA -0.143 4.169 4.320 -0.013 0.000 0.217 140 A C 2.437 180.091 177.584 0.117 0.000 1.181 140 A CA 1.838 53.816 52.037 -0.098 0.000 0.623 140 A CB -1.116 17.790 19.000 -0.157 0.000 0.818 140 A HN 0.566 nan 8.150 nan 0.000 0.443 141 A N -1.033 121.887 122.820 0.167 0.000 1.873 141 A HA -0.151 4.162 4.320 -0.013 0.000 0.215 141 A C 2.317 179.985 177.584 0.140 0.000 1.186 141 A CA 1.616 53.773 52.037 0.199 0.000 0.616 141 A CB -1.288 17.815 19.000 0.172 0.000 0.823 141 A HN 0.592 nan 8.150 nan 0.000 0.442 142 C N -1.447 117.936 119.300 0.140 0.000 2.413 142 C HA -0.092 4.360 4.460 -0.013 0.000 0.276 142 C C 2.432 177.594 174.990 0.287 0.000 1.248 142 C CA 0.743 59.882 59.018 0.202 0.000 1.742 142 C CB -1.645 26.235 27.740 0.233 0.000 2.017 142 C HN 0.607 nan 8.230 nan 0.000 0.481 143 F N 1.163 121.101 119.950 -0.019 0.000 2.126 143 F HA -0.093 4.426 4.527 -0.013 0.000 0.299 143 F C 2.242 177.983 175.800 -0.098 0.000 1.096 143 F CA 1.066 58.999 58.000 -0.112 0.000 1.255 143 F CB -1.360 37.433 39.000 -0.344 0.000 0.997 143 F HN 0.206 nan 8.300 nan 0.000 0.479 144 L N -0.470 120.830 121.223 0.129 0.000 2.046 144 L HA -0.245 4.087 4.340 -0.013 0.000 0.208 144 L C 2.167 179.048 176.870 0.020 0.000 1.077 144 L CA 1.906 56.775 54.840 0.049 0.000 0.747 144 L CB -0.774 41.313 42.059 0.048 0.000 0.896 144 L HN 0.096 nan 8.230 nan 0.000 0.432 145 D N -0.435 119.987 120.400 0.037 0.000 2.104 145 D HA -0.179 4.454 4.640 -0.013 0.000 0.194 145 D C 2.210 178.526 176.300 0.028 0.000 0.994 145 D CA 1.565 55.574 54.000 0.014 0.000 0.830 145 D CB 0.195 41.003 40.800 0.013 0.000 0.959 145 D HN 0.078 nan 8.370 nan 0.000 0.452 146 S N -0.777 114.955 115.700 0.053 0.000 2.383 146 S HA -0.096 4.367 4.470 -0.013 0.000 0.227 146 S C 1.997 176.607 174.600 0.018 0.000 1.026 146 S CA 0.825 59.047 58.200 0.037 0.000 0.981 146 S CB -0.216 63.009 63.200 0.041 0.000 0.818 146 S HN 0.335 nan 8.310 nan 0.000 0.472 147 M N 1.026 120.629 119.600 0.005 0.000 2.117 147 M HA -0.109 4.363 4.480 -0.013 0.000 0.262 147 M C 2.458 178.761 176.300 0.005 0.000 1.065 147 M CA 1.478 56.779 55.300 0.002 0.000 1.114 147 M CB -0.519 32.063 32.600 -0.030 0.000 1.361 147 M HN 0.397 nan 8.290 nan 0.000 0.408 148 A N -0.333 122.486 122.820 -0.001 0.000 1.898 148 A HA -0.119 4.194 4.320 -0.013 0.000 0.216 148 A C 2.166 179.766 177.584 0.026 0.000 1.181 148 A CA 2.008 54.048 52.037 0.006 0.000 0.620 148 A CB -1.050 17.936 19.000 -0.022 0.000 0.819 148 A HN 0.425 nan 8.150 nan 0.000 0.442 149 T N 0.264 114.838 114.554 0.033 0.000 2.833 149 T HA -0.005 4.337 4.350 -0.013 0.000 0.269 149 T C 1.341 176.071 174.700 0.050 0.000 1.054 149 T CA 1.148 63.281 62.100 0.055 0.000 1.135 149 T CB -0.262 68.647 68.868 0.067 0.000 0.869 149 T HN 0.345 nan 8.240 nan 0.000 0.466 150 L N 0.392 121.641 121.223 0.043 0.000 2.629 150 L HA 0.305 4.637 4.340 -0.013 0.000 0.230 150 L C 1.623 178.526 176.870 0.054 0.000 1.151 150 L CA -0.037 54.831 54.840 0.046 0.000 0.924 150 L CB -0.334 41.751 42.059 0.043 0.000 1.137 150 L HN 0.406 nan 8.230 nan 0.000 0.457 151 G N 1.058 109.894 108.800 0.060 0.000 2.198 151 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.260 151 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.260 151 G C 0.112 175.068 174.900 0.092 0.000 1.025 151 G CA -0.012 45.143 45.100 0.091 0.000 0.769 151 G HN 0.275 nan 8.290 nan 0.000 0.507 152 L N -0.058 121.190 121.223 0.041 0.000 2.350 152 L HA 0.601 4.933 4.340 -0.013 0.000 0.275 152 L C 1.234 178.010 176.870 -0.157 0.000 1.099 152 L CA -0.317 54.502 54.840 -0.034 0.000 0.808 152 L CB 1.526 43.571 42.059 -0.023 0.000 1.149 152 L HN 0.267 nan 8.230 nan 0.000 0.442 153 A N 3.117 125.710 122.820 -0.377 0.000 2.981 153 A HA 0.556 4.868 4.320 -0.013 0.000 0.280 153 A C 0.277 177.539 177.584 -0.535 0.000 1.743 153 A CA -0.135 51.407 52.037 -0.825 0.000 1.430 153 A CB -0.659 17.712 19.000 -1.049 0.000 1.085 153 A HN 0.703 nan 8.150 nan 0.000 0.597 154 A N 1.697 124.247 122.820 -0.449 0.000 2.350 154 A HA 0.796 5.109 4.320 -0.013 0.000 0.324 154 A C -1.043 176.316 177.584 -0.377 0.000 1.118 154 A CA -0.477 51.366 52.037 -0.324 0.000 0.783 154 A CB 0.845 19.711 19.000 -0.224 0.000 1.236 154 A HN 0.631 nan 8.150 nan 0.000 0.457 155 Y N 0.396 120.635 120.300 -0.103 0.000 2.361 155 Y HA 0.538 5.080 4.550 -0.012 0.000 0.337 155 Y C 0.862 176.840 175.900 0.130 0.000 0.965 155 Y CA -0.612 57.496 58.100 0.013 0.000 1.091 155 Y CB 2.431 40.980 38.460 0.149 0.000 1.182 155 Y HN 0.833 nan 8.280 nan 0.000 0.450 156 G N 2.279 111.154 108.800 0.125 0.000 2.325 156 G HA2 0.426 4.379 3.960 -0.013 0.000 0.298 156 G HA3 0.426 4.379 3.960 -0.013 0.000 0.298 156 G C -1.695 173.213 174.900 0.014 0.000 1.134 156 G CA -0.203 44.995 45.100 0.163 0.000 0.876 156 G HN 0.526 nan 8.290 nan 0.000 0.452 157 Y N 1.127 121.656 120.300 0.382 0.000 2.350 157 Y HA 0.628 5.171 4.550 -0.013 0.000 0.338 157 Y C 0.777 176.985 175.900 0.514 0.000 0.961 157 Y CA 0.206 58.504 58.100 0.330 0.000 1.100 157 Y CB 2.647 41.324 38.460 0.361 0.000 1.179 157 Y HN 0.859 nan 8.280 nan 0.000 0.454 158 G N 2.326 111.455 108.800 0.548 0.000 2.753 158 G HA2 0.601 4.554 3.960 -0.013 0.000 0.303 158 G HA3 0.601 4.554 3.960 -0.013 0.000 0.303 158 G C -1.750 173.397 174.900 0.411 0.000 1.242 158 G CA -0.846 44.600 45.100 0.577 0.000 0.810 158 G HN 0.431 nan 8.290 nan 0.000 0.515 159 I N 0.561 121.270 120.570 0.232 0.000 2.441 159 I HA 0.431 4.593 4.170 -0.013 0.000 0.295 159 I C 0.359 176.387 176.117 -0.148 0.000 0.994 159 I CA -0.708 60.615 61.300 0.039 0.000 1.144 159 I CB 2.181 40.027 38.000 -0.258 0.000 1.314 159 I HN 0.327 nan 8.210 nan 0.000 0.445 160 R N 6.133 126.643 120.500 0.017 0.000 2.608 160 R HA 0.216 4.549 4.340 -0.013 0.000 0.277 160 R C -1.226 175.116 176.300 0.071 0.000 1.341 160 R CA -0.428 55.710 56.100 0.064 0.000 1.199 160 R CB -0.061 30.258 30.300 0.032 0.000 1.156 160 R HN 0.405 nan 8.270 nan 0.000 0.558 161 Y N 1.450 121.914 120.300 0.274 0.000 2.511 161 Y HA -0.085 4.457 4.550 -0.013 0.000 0.332 161 Y C 1.591 177.676 175.900 0.310 0.000 1.177 161 Y CA 0.092 58.345 58.100 0.254 0.000 1.422 161 Y CB 0.757 39.345 38.460 0.214 0.000 1.271 161 Y HN 0.583 nan 8.280 nan 0.000 0.550 162 E N 2.086 122.470 120.200 0.307 0.000 2.152 162 E HA -0.052 4.291 4.350 -0.013 0.000 0.192 162 E C -0.740 175.737 176.600 -0.206 0.000 0.983 162 E CA 0.658 57.035 56.400 -0.038 0.000 0.818 162 E CB 0.180 29.763 29.700 -0.194 0.000 0.758 162 E HN 0.508 nan 8.360 nan 0.000 0.467 163 F N -0.147 120.022 119.950 0.366 0.000 2.460 163 F HA 0.437 4.957 4.527 -0.013 0.000 0.341 163 F C 0.781 176.681 175.800 0.167 0.000 1.130 163 F CA -0.860 57.313 58.000 0.289 0.000 0.962 163 F CB 1.821 40.920 39.000 0.166 0.000 1.171 163 F HN -0.098 nan 8.300 nan 0.000 0.436 164 G N 1.899 110.822 108.800 0.204 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 -0.486 174.386 174.900 -0.046 0.000 1.451 164 G CA -0.667 44.397 45.100 -0.059 0.000 1.059 164 G HN 0.545 nan 8.290 nan 0.000 0.550 165 I N 0.957 121.426 120.570 -0.170 0.000 2.752 165 I HA 0.196 4.358 4.170 -0.013 0.000 0.289 165 I C 0.561 176.596 176.117 -0.137 0.000 1.197 165 I CA -1.032 60.142 61.300 -0.210 0.000 1.432 165 I CB -0.314 37.467 38.000 -0.366 0.000 1.359 165 I HN 0.327 nan 8.210 nan 0.000 0.571 166 F N 6.326 126.292 119.950 0.028 0.000 2.628 166 F HA 0.213 4.733 4.527 -0.012 0.000 0.362 166 F C 0.546 176.399 175.800 0.089 0.000 1.148 166 F CA -0.561 57.476 58.000 0.062 0.000 1.352 166 F CB -0.360 38.663 39.000 0.038 0.000 1.081 166 F HN 0.426 nan 8.300 nan 0.000 0.605 167 N N 2.537 121.405 118.700 0.281 0.000 2.497 167 N HA 0.026 4.759 4.740 -0.013 0.000 0.271 167 N C -0.726 175.015 175.510 0.386 0.000 1.142 167 N CA -0.201 52.992 53.050 0.238 0.000 0.965 167 N CB 1.083 39.698 38.487 0.213 0.000 1.077 167 N HN 0.759 nan 8.380 nan 0.000 0.462 168 Q N 2.578 122.574 119.800 0.326 0.000 2.296 168 Q HA 0.162 4.494 4.340 -0.013 0.000 0.257 168 Q C -0.927 175.240 176.000 0.279 0.000 0.942 168 Q CA -0.416 55.621 55.803 0.389 0.000 0.939 168 Q CB 0.672 29.641 28.738 0.384 0.000 1.198 168 Q HN 0.243 nan 8.270 nan 0.000 0.429 169 K N 4.196 124.738 120.400 0.237 0.000 2.207 169 K HA 0.470 4.783 4.320 -0.013 0.000 0.255 169 K C -0.584 176.116 176.600 0.168 0.000 0.941 169 K CA -0.904 55.498 56.287 0.192 0.000 0.825 169 K CB 1.561 34.153 32.500 0.154 0.000 1.119 169 K HN 0.618 nan 8.250 nan 0.000 0.430 170 I N 1.845 122.507 120.570 0.152 0.000 2.330 170 I HA 0.181 4.343 4.170 -0.013 0.000 0.289 170 I C -0.169 176.008 176.117 0.099 0.000 1.001 170 I CA -0.711 60.651 61.300 0.104 0.000 1.193 170 I CB 0.977 39.021 38.000 0.073 0.000 1.345 170 I HN 0.478 nan 8.210 nan 0.000 0.461 171 C N 4.900 124.268 119.300 0.113 0.000 2.344 171 C HA 0.621 5.073 4.460 -0.013 0.000 0.326 171 C C 1.102 176.193 174.990 0.169 0.000 1.201 171 C CA 0.240 59.330 59.018 0.121 0.000 1.410 171 C CB -0.025 27.782 27.740 0.111 0.000 2.070 171 C HN 1.102 nan 8.230 nan 0.000 0.445 172 G N 3.840 112.711 108.800 0.118 0.000 2.225 172 G HA2 0.071 4.023 3.960 -0.013 0.000 0.267 172 G HA3 0.071 4.023 3.960 -0.013 0.000 0.267 172 G C 1.192 176.091 174.900 -0.001 0.000 1.024 172 G CA 1.176 46.349 45.100 0.123 0.000 0.784 172 G HN 2.519 nan 8.290 nan 0.000 0.507 173 G N -2.791 105.957 108.800 -0.087 0.000 2.199 173 G HA2 -0.293 3.659 3.960 -0.013 0.000 0.254 173 G HA3 -0.293 3.659 3.960 -0.013 0.000 0.254 173 G C 0.401 175.057 174.900 -0.407 0.000 0.982 173 G CA 0.603 45.527 45.100 -0.294 0.000 0.632 173 G HN 1.190 nan 8.290 nan 0.000 0.529 174 W N 1.152 122.400 121.300 -0.086 0.000 2.449 174 W HA 0.654 5.307 4.660 -0.012 0.000 0.331 174 W C 0.709 177.176 176.519 -0.087 0.000 1.119 174 W CA -0.817 56.470 57.345 -0.096 0.000 1.240 174 W CB 0.777 30.197 29.460 -0.066 0.000 1.251 174 W HN 0.253 nan 8.180 nan 0.000 0.576 175 Q N 3.310 123.204 119.800 0.158 0.000 2.313 175 Q HA 0.187 4.519 4.340 -0.013 0.000 0.266 175 Q C -0.536 175.522 176.000 0.096 0.000 0.989 175 Q CA 0.202 56.069 55.803 0.107 0.000 0.890 175 Q CB 0.514 29.306 28.738 0.090 0.000 1.200 175 Q HN 0.324 nan 8.270 nan 0.000 0.396 176 M N 3.103 122.755 119.600 0.088 0.000 2.456 176 M HA 0.393 4.865 4.480 -0.013 0.000 0.324 176 M C -1.050 175.263 176.300 0.022 0.000 1.124 176 M CA -0.707 54.612 55.300 0.032 0.000 0.959 176 M CB 1.804 34.436 32.600 0.052 0.000 1.692 176 M HN 0.593 nan 8.290 nan 0.000 0.444 177 E N 1.620 121.764 120.200 -0.092 0.000 2.179 177 E HA 0.472 4.815 4.350 -0.013 0.000 0.275 177 E C -0.768 175.835 176.600 0.004 0.000 0.945 177 E CA -0.587 55.734 56.400 -0.132 0.000 0.792 177 E CB 1.635 30.997 29.700 -0.563 0.000 1.125 177 E HN 0.524 nan 8.360 nan 0.000 0.397 178 E N 0.745 121.026 120.200 0.134 0.000 2.343 178 E HA 0.734 5.077 4.350 -0.013 0.000 0.270 178 E C -1.055 175.643 176.600 0.162 0.000 0.895 178 E CA -1.571 54.895 56.400 0.110 0.000 0.767 178 E CB 1.427 31.195 29.700 0.113 0.000 1.248 178 E HN 0.443 nan 8.360 nan 0.000 0.440 179 A N 1.906 124.783 122.820 0.094 0.000 2.546 179 A HA 0.044 4.356 4.320 -0.013 0.000 0.243 179 A C -0.091 177.672 177.584 0.299 0.000 1.063 179 A CA 0.250 52.360 52.037 0.122 0.000 0.757 179 A CB -0.144 18.805 19.000 -0.085 0.000 0.991 179 A HN 0.695 nan 8.150 nan 0.000 0.503 180 D N 1.952 122.592 120.400 0.399 0.000 2.517 180 D HA 0.174 4.806 4.640 -0.013 0.000 0.220 180 D C -0.365 176.253 176.300 0.531 0.000 1.158 180 D CA -0.180 54.055 54.000 0.392 0.000 0.992 180 D CB 0.269 41.234 40.800 0.276 0.000 1.058 180 D HN 0.383 nan 8.370 nan 0.000 0.516 181 D N 3.636 124.310 120.400 0.456 0.000 2.688 181 D HA -0.029 4.604 4.640 -0.013 0.000 0.228 181 D C 1.102 177.507 176.300 0.175 0.000 1.116 181 D CA -0.541 53.626 54.000 0.278 0.000 1.023 181 D CB -0.191 40.785 40.800 0.294 0.000 1.100 181 D HN 0.560 nan 8.370 nan 0.000 0.487 182 W N 1.824 123.137 121.300 0.022 0.000 2.525 182 W HA -0.024 4.629 4.660 -0.012 0.000 0.259 182 W C 0.107 176.666 176.519 0.067 0.000 1.253 182 W CA 0.077 57.464 57.345 0.071 0.000 1.262 182 W CB -0.697 28.812 29.460 0.082 0.000 1.122 182 W HN 0.179 nan 8.180 nan 0.000 0.607 183 L N 0.921 121.772 121.223 -0.621 0.000 2.607 183 L HA 0.190 4.522 4.340 -0.013 0.000 0.228 183 L C 2.744 179.432 176.870 -0.303 0.000 1.123 183 L CA -0.036 54.414 54.840 -0.650 0.000 0.890 183 L CB -0.617 40.931 42.059 -0.851 0.000 1.103 183 L HN -0.120 nan 8.230 nan 0.000 0.468 184 R N 0.601 120.968 120.500 -0.220 0.000 2.112 184 R HA -0.245 4.087 4.340 -0.013 0.000 0.242 184 R C 1.522 177.630 176.300 -0.319 0.000 1.137 184 R CA 2.221 58.148 56.100 -0.289 0.000 0.944 184 R CB -0.248 29.825 30.300 -0.379 0.000 0.857 184 R HN 0.294 nan 8.270 nan 0.000 0.435 185 Y N -0.518 119.795 120.300 0.020 0.000 2.466 185 Y HA 0.314 4.856 4.550 -0.012 0.000 0.272 185 Y C 0.900 176.792 175.900 -0.014 0.000 1.169 185 Y CA 0.536 58.663 58.100 0.044 0.000 1.285 185 Y CB 0.704 39.306 38.460 0.236 0.000 1.078 185 Y HN 0.457 nan 8.280 nan 0.000 0.523 186 G N 1.179 110.023 108.800 0.074 0.000 2.663 186 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.686 186 G HA3 -0.206 3.746 3.960 -0.013 0.000 0.686 186 G C -1.296 173.677 174.900 0.121 0.000 1.246 186 G CA -0.826 44.284 45.100 0.015 0.000 0.795 186 G HN 0.242 nan 8.290 nan 0.000 0.627 187 N N 1.299 120.013 118.700 0.024 0.000 2.569 187 N HA 0.575 5.308 4.740 -0.013 0.000 0.254 187 N C -0.662 174.852 175.510 0.007 0.000 1.004 187 N CA -2.022 51.061 53.050 0.055 0.000 0.904 187 N CB 2.033 40.491 38.487 -0.049 0.000 1.165 187 N HN 0.234 nan 8.380 nan 0.000 0.513 188 P HA 0.011 nan 4.420 nan 0.000 0.229 188 P C 0.675 177.695 177.300 -0.466 0.000 1.160 188 P CA 0.772 63.581 63.100 -0.484 0.000 0.777 188 P CB 0.117 31.213 31.700 -1.007 0.000 0.814 189 W N 1.956 123.264 121.300 0.013 0.000 2.476 189 W HA 0.030 4.683 4.660 -0.012 0.000 0.281 189 W C 1.323 177.881 176.519 0.065 0.000 1.230 189 W CA -0.285 57.064 57.345 0.007 0.000 1.287 189 W CB -0.373 29.091 29.460 0.007 0.000 1.108 189 W HN 0.010 nan 8.180 nan 0.000 0.567 190 E N 1.757 122.135 120.200 0.296 0.000 2.349 190 E HA 0.307 4.650 4.350 -0.013 0.000 0.265 190 E C -0.612 176.161 176.600 0.288 0.000 1.064 190 E CA -0.696 55.888 56.400 0.306 0.000 0.886 190 E CB 1.262 31.152 29.700 0.317 0.000 1.036 190 E HN -0.317 nan 8.360 nan 0.000 0.413 191 K N 1.542 122.128 120.400 0.309 0.000 2.502 191 K HA 0.412 4.725 4.320 -0.013 0.000 0.254 191 K C -1.180 175.442 176.600 0.037 0.000 0.947 191 K CA -0.491 55.906 56.287 0.184 0.000 0.834 191 K CB 1.587 34.197 32.500 0.183 0.000 1.112 191 K HN 0.669 nan 8.250 nan 0.000 0.427 192 A N 4.208 126.951 122.820 -0.128 0.000 2.511 192 A HA 0.293 4.606 4.320 -0.013 0.000 0.242 192 A C -0.247 177.130 177.584 -0.344 0.000 1.069 192 A CA 0.009 51.709 52.037 -0.562 0.000 0.763 192 A CB 0.179 18.836 19.000 -0.570 0.000 1.001 192 A HN 0.662 nan 8.150 nan 0.000 0.498 193 R N 3.299 123.583 120.500 -0.361 0.000 2.835 193 R HA 0.206 4.538 4.340 -0.013 0.000 0.290 193 R C -2.367 173.753 176.300 -0.300 0.000 1.410 193 R CA -1.724 54.206 56.100 -0.284 0.000 1.590 193 R CB 0.642 30.894 30.300 -0.080 0.000 1.288 193 R HN 0.580 nan 8.270 nan 0.000 0.637 194 P HA -0.162 nan 4.420 nan 0.000 0.228 194 P C 0.811 178.005 177.300 -0.177 0.000 1.151 194 P CA 1.006 64.003 63.100 -0.172 0.000 0.770 194 P CB 0.395 32.009 31.700 -0.144 0.000 0.786 195 E N -0.334 119.647 120.200 -0.364 0.000 2.358 195 E HA -0.107 4.236 4.350 -0.013 0.000 0.195 195 E C 0.495 176.905 176.600 -0.316 0.000 1.010 195 E CA 0.767 56.919 56.400 -0.414 0.000 0.856 195 E CB -0.701 28.632 29.700 -0.612 0.000 0.795 195 E HN 0.266 nan 8.360 nan 0.000 0.504 196 F N 1.966 121.936 119.950 0.034 0.000 2.684 196 F HA 0.291 4.811 4.527 -0.013 0.000 0.298 196 F C 0.393 176.298 175.800 0.174 0.000 1.120 196 F CA -0.786 57.268 58.000 0.090 0.000 1.332 196 F CB -0.171 38.881 39.000 0.086 0.000 0.986 196 F HN -0.307 nan 8.300 nan 0.000 0.524 197 T N 3.043 117.737 114.554 0.233 0.000 2.928 197 T HA 0.296 4.639 4.350 -0.013 0.000 0.305 197 T C -0.224 174.580 174.700 0.174 0.000 1.035 197 T CA 0.400 62.634 62.100 0.223 0.000 1.145 197 T CB 0.635 69.581 68.868 0.129 0.000 0.963 197 T HN -0.138 nan 8.240 nan 0.000 0.545 198 L N 5.838 127.134 121.223 0.123 0.000 2.401 198 L HA 0.537 4.869 4.340 -0.013 0.000 0.266 198 L C -2.248 174.586 176.870 -0.059 0.000 0.991 198 L CA -2.581 52.261 54.840 0.002 0.000 0.818 198 L CB 2.028 44.020 42.059 -0.111 0.000 1.321 198 L HN 0.379 nan 8.230 nan 0.000 0.413 199 P HA 0.339 nan 4.420 nan 0.000 0.284 199 P C -1.105 176.087 177.300 -0.180 0.000 1.253 199 P CA -0.314 62.718 63.100 -0.112 0.000 0.800 199 P CB 1.563 33.191 31.700 -0.119 0.000 0.961 200 V N 4.022 123.822 119.914 -0.190 0.000 2.604 200 V HA 0.326 4.439 4.120 -0.013 0.000 0.305 200 V C 0.224 176.136 176.094 -0.304 0.000 1.043 200 V CA -0.623 61.553 62.300 -0.207 0.000 0.888 200 V CB 1.402 33.152 31.823 -0.122 0.000 0.995 200 V HN 0.597 nan 8.190 nan 0.000 0.429 201 H N 3.775 122.697 119.070 -0.246 0.000 2.463 201 H HA 0.617 5.165 4.556 -0.013 0.000 0.332 201 H C -1.284 173.766 175.328 -0.462 0.000 1.127 201 H CA -0.116 55.708 56.048 -0.373 0.000 1.238 201 H CB 1.872 31.166 29.762 -0.780 0.000 1.478 201 H HN 0.480 nan 8.280 nan 0.000 0.499 202 F N 0.332 120.348 119.950 0.109 0.000 2.613 202 F HA 0.214 4.734 4.527 -0.013 0.000 0.314 202 F C -0.213 175.716 175.800 0.215 0.000 1.075 202 F CA -0.557 57.517 58.000 0.124 0.000 0.945 202 F CB 1.036 40.027 39.000 -0.015 0.000 1.310 202 F HN 0.560 nan 8.300 nan 0.000 0.467 203 Y N 0.136 120.731 120.300 0.492 0.000 2.904 203 Y HA -0.007 4.536 4.550 -0.012 0.000 0.466 203 Y C 1.355 177.506 175.900 0.418 0.000 1.202 203 Y CA 0.690 59.001 58.100 0.351 0.000 2.492 203 Y CB -1.904 36.693 38.460 0.227 0.000 1.237 203 Y HN 1.293 nan 8.280 nan 0.000 0.633 204 G N 0.631 109.705 108.800 0.457 0.000 2.593 204 G HA2 0.098 4.051 3.960 -0.013 0.000 0.237 204 G HA3 0.098 4.051 3.960 -0.013 0.000 0.237 204 G C -0.594 174.518 174.900 0.354 0.000 1.312 204 G CA 0.906 46.201 45.100 0.324 0.000 0.896 204 G HN 1.380 nan 8.290 nan 0.000 0.574 205 R N -2.534 118.171 120.500 0.343 0.000 2.734 205 R HA 0.696 5.028 4.340 -0.013 0.000 0.271 205 R C -1.351 175.086 176.300 0.227 0.000 1.021 205 R CA -1.001 55.242 56.100 0.238 0.000 0.893 205 R CB 1.326 31.714 30.300 0.146 0.000 1.244 205 R HN 0.867 nan 8.270 nan 0.000 0.464 206 V N 0.979 120.944 119.914 0.086 0.000 2.407 206 V HA 0.337 4.450 4.120 -0.013 0.000 0.278 206 V C -0.122 175.913 176.094 -0.099 0.000 1.037 206 V CA -0.409 61.869 62.300 -0.037 0.000 0.900 206 V CB 1.234 32.973 31.823 -0.140 0.000 0.983 206 V HN 0.728 nan 8.190 nan 0.000 0.459 207 E N 3.124 123.236 120.200 -0.147 0.000 2.183 207 E HA 0.420 4.763 4.350 -0.013 0.000 0.271 207 E C -1.099 175.346 176.600 -0.258 0.000 0.919 207 E CA -0.722 55.609 56.400 -0.115 0.000 0.781 207 E CB 0.989 30.675 29.700 -0.024 0.000 1.140 207 E HN 0.726 nan 8.360 nan 0.000 0.402 208 H N 2.321 121.406 119.070 0.025 0.000 2.476 208 H HA 0.270 4.819 4.556 -0.013 0.000 0.328 208 H C 0.075 175.412 175.328 0.015 0.000 1.073 208 H CA -0.344 55.714 56.048 0.017 0.000 1.229 208 H CB 1.640 31.407 29.762 0.009 0.000 1.432 208 H HN 0.607 nan 8.280 nan 0.000 0.477 209 T N -1.042 113.579 114.554 0.111 0.000 2.762 209 T HA 0.220 4.563 4.350 -0.013 0.000 0.272 209 T C 1.309 176.048 174.700 0.065 0.000 0.982 209 T CA -0.730 61.412 62.100 0.070 0.000 1.013 209 T CB 1.004 69.896 68.868 0.040 0.000 1.309 209 T HN 0.340 nan 8.240 nan 0.000 0.572 210 S N 0.001 115.727 115.700 0.043 0.000 2.383 210 S HA -0.055 4.408 4.470 -0.013 0.000 0.227 210 S C 1.262 175.883 174.600 0.036 0.000 1.026 210 S CA 1.021 59.242 58.200 0.035 0.000 0.981 210 S CB -0.423 62.792 63.200 0.026 0.000 0.818 210 S HN 0.656 nan 8.310 nan 0.000 0.472 211 Q N 1.029 120.850 119.800 0.034 0.000 2.620 211 Q HA 0.474 4.807 4.340 -0.013 0.000 0.333 211 Q C 0.795 176.817 176.000 0.036 0.000 1.017 211 Q CA 0.229 56.051 55.803 0.031 0.000 0.962 211 Q CB -0.252 28.500 28.738 0.023 0.000 1.297 211 Q HN 0.476 nan 8.270 nan 0.000 0.419 212 G N 0.206 109.038 108.800 0.054 0.000 2.645 212 G HA2 -0.163 3.790 3.960 -0.013 0.000 0.239 212 G HA3 -0.163 3.790 3.960 -0.013 0.000 0.239 212 G C -0.289 174.650 174.900 0.064 0.000 1.331 212 G CA -0.627 44.517 45.100 0.073 0.000 0.890 212 G HN 0.681 nan 8.290 nan 0.000 0.572 213 A N -0.149 122.691 122.820 0.034 0.000 2.340 213 A HA 0.697 5.009 4.320 -0.013 0.000 0.268 213 A C 0.433 177.970 177.584 -0.078 0.000 1.100 213 A CA 0.399 52.374 52.037 -0.102 0.000 0.803 213 A CB 0.677 19.590 19.000 -0.145 0.000 1.043 213 A HN 0.720 nan 8.150 nan 0.000 0.488 214 K N 0.805 121.143 120.400 -0.103 0.000 2.443 214 K HA 0.192 4.504 4.320 -0.013 0.000 0.252 214 K C -1.896 174.735 176.600 0.051 0.000 0.933 214 K CA -0.358 55.918 56.287 -0.019 0.000 0.792 214 K CB 2.091 34.582 32.500 -0.014 0.000 1.185 214 K HN 0.750 nan 8.250 nan 0.000 0.425 215 W N 5.511 126.728 121.300 -0.138 0.000 2.308 215 W HA 0.339 4.992 4.660 -0.013 0.000 0.311 215 W C -0.634 175.826 176.519 -0.097 0.000 1.088 215 W CA -0.769 56.502 57.345 -0.123 0.000 1.309 215 W CB 0.101 29.474 29.460 -0.146 0.000 1.229 215 W HN 0.286 nan 8.180 nan 0.000 0.427 216 V N 2.750 122.721 119.914 0.095 0.000 3.126 216 V HA 0.613 4.726 4.120 -0.013 0.000 0.314 216 V C -0.149 175.931 176.094 -0.023 0.000 1.138 216 V CA -0.945 61.337 62.300 -0.029 0.000 1.034 216 V CB 1.970 33.801 31.823 0.014 0.000 1.075 216 V HN 0.452 nan 8.190 nan 0.000 0.442 217 D N 0.178 120.565 120.400 -0.022 0.000 2.837 217 D HA -0.138 4.495 4.640 -0.013 0.000 0.230 217 D C 0.546 176.858 176.300 0.019 0.000 1.152 217 D CA 1.539 55.547 54.000 0.013 0.000 0.736 217 D CB -1.594 39.234 40.800 0.047 0.000 1.084 217 D HN 1.319 nan 8.370 nan 0.000 0.429 218 T N -2.779 111.745 114.554 -0.051 0.000 2.882 218 T HA 0.465 4.808 4.350 -0.013 0.000 0.287 218 T C 0.471 175.225 174.700 0.089 0.000 1.014 218 T CA -0.723 61.358 62.100 -0.031 0.000 1.049 218 T CB 1.860 70.560 68.868 -0.280 0.000 1.001 218 T HN 0.040 nan 8.240 nan 0.000 0.525 219 Q N 0.687 120.608 119.800 0.201 0.000 2.243 219 Q HA 0.536 4.868 4.340 -0.013 0.000 0.252 219 Q C -0.903 175.215 176.000 0.196 0.000 0.909 219 Q CA -0.828 55.114 55.803 0.232 0.000 0.922 219 Q CB 1.776 30.730 28.738 0.360 0.000 1.215 219 Q HN 0.507 nan 8.270 nan 0.000 0.427 220 V N 3.329 123.315 119.914 0.121 0.000 2.427 220 V HA 0.364 4.476 4.120 -0.013 0.000 0.286 220 V C -0.267 175.912 176.094 0.141 0.000 1.034 220 V CA -0.609 61.685 62.300 -0.010 0.000 0.893 220 V CB 1.650 33.403 31.823 -0.118 0.000 0.982 220 V HN 0.488 nan 8.190 nan 0.000 0.452 221 V N 6.099 126.116 119.914 0.171 0.000 2.495 221 V HA 0.473 4.586 4.120 -0.013 0.000 0.298 221 V C -0.074 176.127 176.094 0.178 0.000 1.031 221 V CA -0.653 61.765 62.300 0.198 0.000 0.871 221 V CB 1.888 33.898 31.823 0.311 0.000 0.988 221 V HN 0.634 nan 8.190 nan 0.000 0.432 222 L N 3.581 124.894 121.223 0.150 0.000 2.395 222 L HA 0.695 5.027 4.340 -0.013 0.000 0.269 222 L C 0.494 177.548 176.870 0.307 0.000 1.133 222 L CA -0.247 54.687 54.840 0.158 0.000 0.812 222 L CB 1.172 43.300 42.059 0.115 0.000 1.125 222 L HN 0.760 nan 8.230 nan 0.000 0.452 223 A N 5.122 128.075 122.820 0.222 0.000 2.267 223 A HA 0.578 4.890 4.320 -0.013 0.000 0.315 223 A C -0.493 177.368 177.584 0.462 0.000 1.297 223 A CA -0.474 51.735 52.037 0.287 0.000 0.865 223 A CB 0.943 19.689 19.000 -0.424 0.000 1.165 223 A HN 0.782 nan 8.150 nan 0.000 0.513 224 M N 5.801 125.724 119.600 0.539 0.000 2.129 224 M HA 0.465 4.938 4.480 -0.013 0.000 0.348 224 M C -2.633 173.924 176.300 0.429 0.000 1.116 224 M CA -2.163 53.387 55.300 0.417 0.000 1.022 224 M CB 2.052 34.812 32.600 0.266 0.000 1.599 224 M HN 0.337 nan 8.290 nan 0.000 0.449 225 P HA 0.263 nan 4.420 nan 0.000 0.288 225 P C -1.937 175.298 177.300 -0.108 0.000 1.267 225 P CA -0.017 62.988 63.100 -0.157 0.000 0.815 225 P CB 0.491 31.927 31.700 -0.439 0.000 0.989 226 Y N 0.724 120.965 120.300 -0.099 0.000 2.328 226 Y HA 0.329 4.872 4.550 -0.013 0.000 0.336 226 Y C 0.213 176.107 175.900 -0.010 0.000 0.960 226 Y CA -0.287 57.809 58.100 -0.006 0.000 1.134 226 Y CB 1.253 39.739 38.460 0.044 0.000 1.166 226 Y HN 0.221 nan 8.280 nan 0.000 0.464 227 D N 1.964 122.478 120.400 0.190 0.000 2.198 227 D HA 0.395 5.027 4.640 -0.013 0.000 0.245 227 D C -0.572 175.959 176.300 0.385 0.000 1.079 227 D CA -0.220 53.934 54.000 0.257 0.000 0.854 227 D CB 1.680 42.663 40.800 0.304 0.000 1.148 227 D HN 0.368 nan 8.370 nan 0.000 0.456 228 T N 3.211 117.898 114.554 0.222 0.000 2.824 228 T HA 0.472 4.814 4.350 -0.013 0.000 0.282 228 T C -2.520 172.030 174.700 -0.249 0.000 0.993 228 T CA -1.490 60.638 62.100 0.047 0.000 0.967 228 T CB 2.013 70.902 68.868 0.036 0.000 0.960 228 T HN 0.171 nan 8.240 nan 0.000 0.441 229 P HA 0.308 nan 4.420 nan 0.000 0.275 229 P C -1.000 175.972 177.300 -0.548 0.000 1.227 229 P CA -0.393 62.036 63.100 -1.118 0.000 0.781 229 P CB 0.808 31.633 31.700 -1.459 0.000 0.906 230 V N 5.139 124.795 119.914 -0.430 0.000 2.305 230 V HA 0.261 4.373 4.120 -0.013 0.000 0.275 230 V C -2.087 173.876 176.094 -0.219 0.000 1.020 230 V CA -1.939 60.200 62.300 -0.267 0.000 0.811 230 V CB 1.296 33.010 31.823 -0.182 0.000 1.031 230 V HN 0.539 nan 8.190 nan 0.000 0.439 231 P HA 0.267 nan 4.420 nan 0.000 0.280 231 P C 0.379 177.629 177.300 -0.084 0.000 1.244 231 P CA 0.291 63.302 63.100 -0.147 0.000 0.784 231 P CB 1.498 33.108 31.700 -0.151 0.000 0.913 232 G N 2.189 110.958 108.800 -0.052 0.000 2.572 232 G HA2 0.128 4.081 3.960 -0.013 0.000 0.261 232 G HA3 0.128 4.081 3.960 -0.013 0.000 0.261 232 G C -1.128 173.782 174.900 0.017 0.000 1.197 232 G CA -0.555 44.543 45.100 -0.003 0.000 0.870 232 G HN 0.510 nan 8.290 nan 0.000 0.548 233 Y N 0.760 121.023 120.300 -0.061 0.000 2.674 233 Y HA 0.244 4.786 4.550 -0.013 0.000 0.354 233 Y C 1.235 177.099 175.900 -0.060 0.000 1.089 233 Y CA -0.164 57.895 58.100 -0.068 0.000 1.444 233 Y CB 0.051 38.469 38.460 -0.070 0.000 1.187 233 Y HN 0.722 nan 8.280 nan 0.000 0.523 234 R N 2.765 122.980 120.500 -0.475 0.000 3.627 234 R HA -0.319 4.014 4.340 -0.013 0.000 0.281 234 R C 0.111 176.281 176.300 -0.217 0.000 1.140 234 R CA 1.453 57.295 56.100 -0.431 0.000 0.761 234 R CB -1.923 27.963 30.300 -0.690 0.000 1.181 234 R HN 0.948 nan 8.270 nan 0.000 0.472 235 N N -1.348 117.275 118.700 -0.129 0.000 2.171 235 N HA 0.056 4.788 4.740 -0.013 0.000 0.212 235 N C -0.143 175.326 175.510 -0.069 0.000 1.184 235 N CA -0.296 52.709 53.050 -0.075 0.000 0.888 235 N CB 0.511 38.980 38.487 -0.030 0.000 1.038 235 N HN 0.097 nan 8.380 nan 0.000 0.517 236 N N -0.224 118.430 118.700 -0.077 0.000 2.778 236 N HA -0.136 4.597 4.740 -0.013 0.000 0.249 236 N C -0.864 174.611 175.510 -0.059 0.000 1.069 236 N CA 0.609 53.620 53.050 -0.064 0.000 0.831 236 N CB -1.330 37.120 38.487 -0.063 0.000 1.142 236 N HN 0.183 nan 8.380 nan 0.000 0.573 237 V N 1.271 121.155 119.914 -0.051 0.000 2.498 237 V HA 0.365 4.477 4.120 -0.013 0.000 0.279 237 V C 0.671 176.741 176.094 -0.040 0.000 1.048 237 V CA -0.360 61.919 62.300 -0.036 0.000 0.967 237 V CB 1.979 33.807 31.823 0.008 0.000 0.988 237 V HN -0.022 nan 8.190 nan 0.000 0.473 238 V N 5.479 125.375 119.914 -0.031 0.000 2.419 238 V HA 0.426 4.538 4.120 -0.013 0.000 0.287 238 V C -0.068 176.028 176.094 0.004 0.000 1.017 238 V CA -0.872 61.385 62.300 -0.071 0.000 0.844 238 V CB 1.464 33.217 31.823 -0.117 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 1.991 120.664 118.700 -0.045 0.000 2.405 239 N HA 0.555 5.288 4.740 -0.013 0.000 0.269 239 N C -0.044 175.451 175.510 -0.024 0.000 1.249 239 N CA -0.276 52.764 53.050 -0.017 0.000 0.974 239 N CB 1.134 39.571 38.487 -0.083 0.000 1.204 239 N HN 0.582 nan 8.380 nan 0.000 0.565 240 T N 0.752 115.289 114.554 -0.028 0.000 2.824 240 T HA 0.384 4.727 4.350 -0.013 0.000 0.282 240 T C -0.244 174.421 174.700 -0.058 0.000 0.993 240 T CA -0.506 61.651 62.100 0.095 0.000 0.967 240 T CB 1.055 70.091 68.868 0.281 0.000 0.960 240 T HN 0.297 nan 8.240 nan 0.000 0.441 241 M N 3.862 123.399 119.600 -0.105 0.000 2.101 241 M HA 0.492 4.965 4.480 -0.013 0.000 0.340 241 M C -0.428 175.740 176.300 -0.221 0.000 1.057 241 M CA -0.726 54.427 55.300 -0.245 0.000 0.984 241 M CB 0.647 33.043 32.600 -0.339 0.000 1.560 241 M HN 0.481 nan 8.290 nan 0.000 0.435 242 R N 6.067 126.335 120.500 -0.387 0.000 2.265 242 R HA 0.601 4.934 4.340 -0.013 0.000 0.328 242 R C -1.933 174.100 176.300 -0.444 0.000 0.969 242 R CA -0.432 55.400 56.100 -0.447 0.000 0.832 242 R CB 0.831 30.709 30.300 -0.703 0.000 1.139 242 R HN 0.811 nan 8.270 nan 0.000 0.457 243 L N 5.040 126.103 121.223 -0.267 0.000 2.322 243 L HA 0.499 4.832 4.340 -0.013 0.000 0.281 243 L C -0.777 176.047 176.870 -0.076 0.000 1.014 243 L CA -0.930 53.843 54.840 -0.112 0.000 0.815 243 L CB 1.444 43.526 42.059 0.039 0.000 1.247 243 L HN 0.575 nan 8.230 nan 0.000 0.421 244 W N 1.851 123.282 121.300 0.219 0.000 2.315 244 W HA 0.467 5.120 4.660 -0.012 0.000 0.316 244 W C 0.552 177.302 176.519 0.385 0.000 1.211 244 W CA -0.170 57.327 57.345 0.253 0.000 1.201 244 W CB 1.440 30.912 29.460 0.021 0.000 1.184 244 W HN 0.341 nan 8.180 nan 0.000 0.544 245 S N 1.829 117.939 115.700 0.683 0.000 2.482 245 S HA 0.770 5.232 4.470 -0.013 0.000 0.303 245 S C -0.454 174.482 174.600 0.560 0.000 1.091 245 S CA -0.720 57.783 58.200 0.505 0.000 1.057 245 S CB 0.635 64.077 63.200 0.404 0.000 1.031 245 S HN 0.524 nan 8.310 nan 0.000 0.485 246 A N 4.816 127.800 122.820 0.274 0.000 2.366 246 A HA 0.650 4.962 4.320 -0.013 0.000 0.272 246 A C -0.144 177.495 177.584 0.092 0.000 1.135 246 A CA -0.274 51.814 52.037 0.085 0.000 0.804 246 A CB 0.351 19.126 19.000 -0.375 0.000 1.064 246 A HN 0.661 nan 8.150 nan 0.000 0.499 247 K N 1.198 121.665 120.400 0.112 0.000 2.468 247 K HA 0.586 4.898 4.320 -0.013 0.000 0.252 247 K C -0.505 176.078 176.600 -0.028 0.000 0.932 247 K CA -0.422 55.892 56.287 0.045 0.000 0.794 247 K CB 2.245 34.804 32.500 0.098 0.000 1.241 247 K HN 0.842 nan 8.250 nan 0.000 0.428 248 A N 4.395 127.129 122.820 -0.142 0.000 2.388 248 A HA 0.435 4.748 4.320 -0.013 0.000 0.257 248 A C -2.084 175.462 177.584 -0.063 0.000 1.095 248 A CA -0.964 50.914 52.037 -0.264 0.000 0.791 248 A CB -0.311 18.316 19.000 -0.621 0.000 1.029 248 A HN 0.346 nan 8.150 nan 0.000 0.489 249 P HA 0.111 nan 4.420 nan 0.000 0.272 249 P C 0.081 177.459 177.300 0.130 0.000 1.230 249 P CA -0.412 62.746 63.100 0.096 0.000 0.788 249 P CB 0.592 32.369 31.700 0.128 0.000 0.949 250 N N 0.881 119.642 118.700 0.102 0.000 2.396 250 N HA -0.113 4.620 4.740 -0.013 0.000 0.180 250 N C 0.809 176.394 175.510 0.125 0.000 1.028 250 N CA 1.068 54.179 53.050 0.102 0.000 0.893 250 N CB -0.468 38.063 38.487 0.074 0.000 0.967 250 N HN 0.558 nan 8.380 nan 0.000 0.440 251 D N -0.656 119.819 120.400 0.124 0.000 2.328 251 D HA -0.082 4.551 4.640 -0.013 0.000 0.226 251 D C 0.149 176.521 176.300 0.121 0.000 1.066 251 D CA -0.528 53.535 54.000 0.106 0.000 0.861 251 D CB -1.026 39.817 40.800 0.072 0.000 0.912 251 D HN 0.056 nan 8.370 nan 0.000 0.521 252 F N 2.295 122.258 119.950 0.022 0.000 2.590 252 F HA 0.021 4.540 4.527 -0.012 0.000 0.389 252 F C 0.970 176.774 175.800 0.007 0.000 1.049 252 F CA 0.537 58.546 58.000 0.015 0.000 1.199 252 F CB -0.312 38.696 39.000 0.014 0.000 1.058 252 F HN 0.058 nan 8.300 nan 0.000 0.556 253 N N 2.641 120.984 118.700 -0.596 0.000 2.732 253 N HA -0.284 4.449 4.740 -0.013 0.000 0.250 253 N C -0.666 174.760 175.510 -0.141 0.000 1.097 253 N CA 0.587 53.392 53.050 -0.409 0.000 0.812 253 N CB -0.930 37.304 38.487 -0.422 0.000 1.148 253 N HN 0.430 nan 8.380 nan 0.000 0.572 262 Y N 1.224 121.528 120.300 0.006 0.000 2.097 262 Y HA -0.082 4.460 4.550 -0.013 0.000 0.282 262 Y C 2.744 178.656 175.900 0.020 0.000 1.152 262 Y CA 2.410 60.517 58.100 0.013 0.000 1.136 262 Y CB -0.121 38.346 38.460 0.012 0.000 0.975 262 Y HN 0.214 nan 8.280 nan 0.000 0.498 263 I N 0.423 120.933 120.570 -0.099 0.000 2.163 263 I HA -0.307 3.856 4.170 -0.013 0.000 0.243 263 I C 2.390 178.411 176.117 -0.161 0.000 1.085 263 I CA 1.826 63.016 61.300 -0.183 0.000 1.347 263 I CB -1.464 36.532 38.000 -0.006 0.000 1.044 263 I HN 0.334 nan 8.210 nan 0.000 0.408 264 Q N 1.048 120.802 119.800 -0.076 0.000 2.135 264 Q HA -0.116 4.217 4.340 -0.013 0.000 0.204 264 Q C 2.236 178.205 176.000 -0.052 0.000 0.981 264 Q CA 2.200 57.975 55.803 -0.047 0.000 0.856 264 Q CB -0.351 28.376 28.738 -0.019 0.000 0.902 264 Q HN 0.484 nan 8.270 nan 0.000 0.425 265 A N -0.840 121.931 122.820 -0.080 0.000 1.933 265 A HA -0.136 4.177 4.320 -0.013 0.000 0.218 265 A C 2.237 179.805 177.584 -0.027 0.000 1.175 265 A CA 1.651 53.655 52.037 -0.054 0.000 0.628 265 A CB -0.735 18.229 19.000 -0.061 0.000 0.814 265 A HN 0.267 nan 8.150 nan 0.000 0.444 266 V N 0.140 119.955 119.914 -0.166 0.000 2.358 266 V HA -0.224 3.889 4.120 -0.013 0.000 0.246 266 V C 2.510 178.576 176.094 -0.047 0.000 1.047 266 V CA 1.808 64.027 62.300 -0.135 0.000 1.035 266 V CB -0.745 30.899 31.823 -0.297 0.000 0.658 266 V HN 0.570 nan 8.190 nan 0.000 0.452 267 L N -0.177 121.014 121.223 -0.054 0.000 2.131 267 L HA -0.152 4.180 4.340 -0.013 0.000 0.210 267 L C 2.010 178.895 176.870 0.025 0.000 1.092 267 L CA 1.231 56.061 54.840 -0.017 0.000 0.759 267 L CB -0.667 41.380 42.059 -0.021 0.000 0.903 267 L HN 0.332 nan 8.230 nan 0.000 0.435 268 D N -0.044 120.399 120.400 0.070 0.000 2.371 268 D HA -0.073 4.559 4.640 -0.013 0.000 0.221 268 D C 2.142 178.587 176.300 0.242 0.000 0.986 268 D CA 0.440 54.533 54.000 0.154 0.000 0.899 268 D CB 0.014 40.916 40.800 0.170 0.000 0.902 268 D HN 0.222 nan 8.370 nan 0.000 0.530 269 R N 0.313 120.884 120.500 0.118 0.000 2.127 269 R HA -0.081 4.252 4.340 -0.013 0.000 0.238 269 R C 1.741 177.917 176.300 -0.207 0.000 1.134 269 R CA 1.009 57.000 56.100 -0.181 0.000 0.975 269 R CB -0.289 29.933 30.300 -0.129 0.000 0.865 269 R HN 0.344 nan 8.270 nan 0.000 0.447 270 N N 0.323 118.981 118.700 -0.069 0.000 2.132 270 N HA -0.210 4.523 4.740 -0.013 0.000 0.191 270 N C 1.271 176.750 175.510 -0.052 0.000 1.015 270 N CA 0.871 53.893 53.050 -0.047 0.000 0.864 270 N CB -0.128 38.355 38.487 -0.007 0.000 1.006 270 N HN 0.018 nan 8.380 nan 0.000 0.430 271 L N 1.097 122.306 121.223 -0.023 0.000 2.012 271 L HA -0.147 4.185 4.340 -0.013 0.000 0.210 271 L C 2.488 179.324 176.870 -0.057 0.000 1.073 271 L CA 1.512 56.356 54.840 0.006 0.000 0.748 271 L CB -1.239 40.882 42.059 0.104 0.000 0.891 271 L HN 0.171 nan 8.230 nan 0.000 0.431 272 A N -0.872 121.845 122.820 -0.172 0.000 1.898 272 A HA -0.180 4.132 4.320 -0.013 0.000 0.216 272 A C 2.131 179.596 177.584 -0.198 0.000 1.181 272 A CA 1.477 53.379 52.037 -0.225 0.000 0.620 272 A CB -0.462 18.258 19.000 -0.467 0.000 0.819 272 A HN 0.540 nan 8.150 nan 0.000 0.442 273 E N 0.004 120.098 120.200 -0.178 0.000 2.427 273 E HA -0.069 4.274 4.350 -0.013 0.000 0.196 273 E C 1.003 177.559 176.600 -0.072 0.000 1.028 273 E CA 0.188 56.517 56.400 -0.119 0.000 0.864 273 E CB -0.140 29.509 29.700 -0.085 0.000 0.813 273 E HN 0.461 nan 8.360 nan 0.000 0.514 274 N N 1.068 119.733 118.700 -0.059 0.000 2.443 274 N HA -0.104 4.629 4.740 -0.013 0.000 0.184 274 N C 1.601 177.104 175.510 -0.011 0.000 1.037 274 N CA 0.648 53.692 53.050 -0.010 0.000 0.896 274 N CB -0.052 38.434 38.487 -0.001 0.000 0.959 274 N HN 0.265 nan 8.380 nan 0.000 0.442 275 I N 0.386 120.890 120.570 -0.110 0.000 2.194 275 I HA -0.259 3.903 4.170 -0.013 0.000 0.246 275 I C 1.534 177.617 176.117 -0.058 0.000 1.093 275 I CA 1.319 62.525 61.300 -0.158 0.000 1.355 275 I CB -0.209 37.523 38.000 -0.447 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.463 115.194 115.700 -0.072 0.000 2.582 276 S HA 0.169 4.631 4.470 -0.013 0.000 0.234 276 S C 1.511 176.239 174.600 0.213 0.000 0.961 276 S CA -0.479 57.763 58.200 0.070 0.000 0.953 276 S CB 0.193 63.423 63.200 0.049 0.000 0.800 276 S HN 0.216 nan 8.310 nan 0.000 0.471 277 R N 1.188 121.821 120.500 0.221 0.000 2.062 277 R HA 0.286 4.619 4.340 -0.013 0.000 0.229 277 R C 0.352 176.911 176.300 0.431 0.000 1.128 277 R CA 1.066 57.341 56.100 0.292 0.000 0.960 277 R CB -0.210 30.223 30.300 0.222 0.000 0.855 277 R HN 0.385 nan 8.270 nan 0.000 0.432 278 V N 0.516 120.645 119.914 0.360 0.000 2.808 278 V HA 0.355 4.468 4.120 -0.013 0.000 0.308 278 V C -1.568 174.520 176.094 -0.009 0.000 1.099 278 V CA -1.373 61.062 62.300 0.225 0.000 0.920 278 V CB 1.779 33.646 31.823 0.074 0.000 1.014 278 V HN 0.154 nan 8.190 nan 0.000 0.425 279 L N 7.027 128.022 121.223 -0.379 0.000 2.410 279 L HA 0.445 4.778 4.340 -0.013 0.000 0.273 279 L C -0.782 175.938 176.870 -0.250 0.000 1.144 279 L CA 0.454 54.861 54.840 -0.723 0.000 0.863 279 L CB 0.376 41.928 42.059 -0.844 0.000 1.140 279 L HN 0.676 nan 8.230 nan 0.000 0.463 280 Y N 7.139 127.354 120.300 -0.143 0.000 2.650 280 Y HA 0.163 4.706 4.550 -0.013 0.000 0.331 280 Y C -1.346 174.546 175.900 -0.014 0.000 1.165 280 Y CA -1.115 56.971 58.100 -0.024 0.000 1.473 280 Y CB 0.280 38.752 38.460 0.020 0.000 1.224 280 Y HN 0.573 nan 8.280 nan 0.000 0.533 281 P HA 0.022 nan 4.420 nan 0.000 0.244 281 P C -0.897 176.530 177.300 0.211 0.000 1.632 281 P CA 0.115 63.317 63.100 0.170 0.000 0.944 281 P CB 0.102 31.988 31.700 0.310 0.000 1.569 282 N N 1.349 120.182 118.700 0.222 0.000 2.422 282 N HA 0.155 4.888 4.740 -0.013 0.000 0.266 282 N C -0.682 174.983 175.510 0.259 0.000 1.007 282 N CA 0.028 53.234 53.050 0.260 0.000 0.941 282 N CB 1.207 39.891 38.487 0.327 0.000 1.115 282 N HN 0.068 nan 8.380 nan 0.000 0.492 283 D N 1.146 121.738 120.400 0.321 0.000 2.280 283 D HA 0.187 4.819 4.640 -0.013 0.000 0.236 283 D C -0.183 176.426 176.300 0.514 0.000 1.082 283 D CA -0.306 53.921 54.000 0.378 0.000 0.834 283 D CB 0.248 41.303 40.800 0.425 0.000 1.100 283 D HN 0.331 nan 8.370 nan 0.000 0.486 284 N N 3.091 121.997 118.700 0.343 0.000 2.725 284 N HA -0.261 4.472 4.740 -0.013 0.000 0.251 284 N C -1.274 174.485 175.510 0.415 0.000 1.031 284 N CA 0.648 53.867 53.050 0.281 0.000 0.720 284 N CB -0.850 37.699 38.487 0.103 0.000 0.930 284 N HN 0.367 nan 8.380 nan 0.000 0.543 285 F N 0.633 120.701 119.950 0.197 0.000 2.623 285 F HA 0.412 4.932 4.527 -0.013 0.000 0.323 285 F C -1.270 174.612 175.800 0.137 0.000 1.158 285 F CA -1.078 57.008 58.000 0.143 0.000 1.030 285 F CB 0.945 39.995 39.000 0.083 0.000 1.280 285 F HN -0.010 nan 8.300 nan 0.000 0.474 286 F N 6.067 125.619 119.950 -0.663 0.000 2.411 286 F HA 0.475 4.994 4.527 -0.013 0.000 0.350 286 F C -0.458 174.947 175.800 -0.659 0.000 1.114 286 F CA -0.096 57.579 58.000 -0.541 0.000 1.135 286 F CB 0.739 39.450 39.000 -0.481 0.000 1.120 286 F HN 0.590 nan 8.300 nan 0.000 0.495 287 E N 4.157 123.747 120.200 -1.015 0.000 2.185 287 E HA 0.315 4.658 4.350 -0.013 0.000 0.261 287 E C -0.228 175.644 176.600 -1.214 0.000 0.879 287 E CA -0.773 55.114 56.400 -0.854 0.000 0.756 287 E CB 1.418 30.994 29.700 -0.207 0.000 1.152 287 E HN 0.921 nan 8.360 nan 0.000 0.416 288 G N 5.188 113.244 108.800 -1.240 0.000 3.541 288 G HA2 0.053 4.005 3.960 -0.013 0.000 0.253 288 G HA3 0.053 4.005 3.960 -0.013 0.000 0.253 288 G C -0.069 174.774 174.900 -0.094 0.000 1.017 288 G CA -0.239 44.321 45.100 -0.899 0.000 1.832 288 G HN 0.188 nan 8.290 nan 0.000 0.649 289 K N 0.420 120.821 120.400 0.001 0.000 2.130 289 K HA 0.194 4.507 4.320 -0.013 0.000 0.268 289 K C 0.951 177.690 176.600 0.232 0.000 0.983 289 K CA -0.665 55.704 56.287 0.136 0.000 0.893 289 K CB 2.238 34.814 32.500 0.128 0.000 1.066 289 K HN 0.394 nan 8.250 nan 0.000 0.450 290 E N 1.675 121.978 120.200 0.171 0.000 2.085 290 E HA -0.215 4.128 4.350 -0.013 0.000 0.194 290 E C 1.513 178.143 176.600 0.049 0.000 0.994 290 E CA 1.068 57.520 56.400 0.086 0.000 0.801 290 E CB 0.171 29.925 29.700 0.090 0.000 0.743 290 E HN 0.398 nan 8.360 nan 0.000 0.453 291 L N 1.344 122.640 121.223 0.122 0.000 2.079 291 L HA -0.180 4.152 4.340 -0.013 0.000 0.210 291 L C 2.483 179.450 176.870 0.162 0.000 1.081 291 L CA 1.804 56.735 54.840 0.151 0.000 0.752 291 L CB -0.528 41.685 42.059 0.258 0.000 0.896 291 L HN 0.016 nan 8.230 nan 0.000 0.433 292 R N -0.643 119.898 120.500 0.068 0.000 2.081 292 R HA -0.164 4.169 4.340 -0.013 0.000 0.235 292 R C 2.105 178.441 176.300 0.061 0.000 1.131 292 R CA 1.852 57.912 56.100 -0.066 0.000 0.960 292 R CB -1.021 29.025 30.300 -0.423 0.000 0.856 292 R HN 0.403 nan 8.270 nan 0.000 0.436 293 L N 0.944 122.113 121.223 -0.091 0.000 2.046 293 L HA -0.084 4.248 4.340 -0.013 0.000 0.208 293 L C 1.700 178.509 176.870 -0.101 0.000 1.077 293 L CA 1.931 56.514 54.840 -0.428 0.000 0.747 293 L CB -0.490 41.013 42.059 -0.926 0.000 0.896 293 L HN 0.165 nan 8.230 nan 0.000 0.432 294 K N -0.970 119.422 120.400 -0.013 0.000 2.063 294 K HA -0.209 4.103 4.320 -0.013 0.000 0.208 294 K C 2.091 178.859 176.600 0.281 0.000 1.048 294 K CA 1.833 58.193 56.287 0.122 0.000 0.928 294 K CB -0.206 32.189 32.500 -0.174 0.000 0.713 294 K HN 0.512 nan 8.250 nan 0.000 0.442 295 Q N 0.648 120.576 119.800 0.213 0.000 2.061 295 Q HA -0.200 4.132 4.340 -0.013 0.000 0.204 295 Q C 1.985 178.186 176.000 0.335 0.000 0.984 295 Q CA 1.515 57.500 55.803 0.302 0.000 0.846 295 Q CB -0.046 28.889 28.738 0.327 0.000 0.902 295 Q HN 0.393 nan 8.270 nan 0.000 0.421 296 E N -0.260 120.089 120.200 0.249 0.000 2.077 296 E HA -0.213 4.130 4.350 -0.013 0.000 0.193 296 E C 1.729 178.443 176.600 0.190 0.000 0.989 296 E CA 1.049 57.579 56.400 0.216 0.000 0.800 296 E CB -0.130 29.676 29.700 0.177 0.000 0.746 296 E HN 0.336 nan 8.360 nan 0.000 0.452 297 Y N 0.326 120.673 120.300 0.079 0.000 2.263 297 Y HA -0.187 4.355 4.550 -0.013 0.000 0.292 297 Y C 1.961 177.894 175.900 0.054 0.000 1.130 297 Y CA 0.976 59.075 58.100 -0.002 0.000 1.179 297 Y CB -0.344 38.074 38.460 -0.070 0.000 0.998 297 Y HN 0.007 nan 8.280 nan 0.000 0.532 298 F N -0.250 119.704 119.950 0.008 0.000 2.091 298 F HA -0.257 4.262 4.527 -0.013 0.000 0.299 298 F C 2.481 178.143 175.800 -0.229 0.000 1.103 298 F CA 2.034 59.993 58.000 -0.068 0.000 1.228 298 F CB -1.061 38.052 39.000 0.189 0.000 0.984 298 F HN -0.044 nan 8.300 nan 0.000 0.477 299 V N -0.485 119.392 119.914 -0.063 0.000 2.358 299 V HA -0.208 3.905 4.120 -0.013 0.000 0.246 299 V C 2.194 178.133 176.094 -0.258 0.000 1.047 299 V CA 1.995 64.227 62.300 -0.114 0.000 1.035 299 V CB -0.402 31.549 31.823 0.213 0.000 0.658 299 V HN 0.259 nan 8.190 nan 0.000 0.452 300 V N 0.397 120.165 119.914 -0.242 0.000 2.307 300 V HA -0.165 3.947 4.120 -0.013 0.000 0.245 300 V C 2.801 178.628 176.094 -0.445 0.000 1.045 300 V CA 2.116 64.256 62.300 -0.267 0.000 1.024 300 V CB -1.041 30.684 31.823 -0.163 0.000 0.651 300 V HN 0.649 nan 8.190 nan 0.000 0.449 301 A N -0.144 122.241 122.820 -0.725 0.000 1.873 301 A HA -0.085 4.227 4.320 -0.013 0.000 0.215 301 A C 2.412 179.618 177.584 -0.629 0.000 1.186 301 A CA 2.045 53.652 52.037 -0.718 0.000 0.616 301 A CB -0.840 17.531 19.000 -1.049 0.000 0.823 301 A HN 0.555 nan 8.150 nan 0.000 0.442 302 A N -1.015 121.269 122.820 -0.894 0.000 1.902 302 A HA -0.080 4.232 4.320 -0.013 0.000 0.217 302 A C 2.317 179.388 177.584 -0.855 0.000 1.181 302 A CA 2.330 53.653 52.037 -1.191 0.000 0.623 302 A CB -1.313 16.321 19.000 -2.277 0.000 0.818 302 A HN 0.429 nan 8.150 nan 0.000 0.443 303 T N 0.429 114.611 114.554 -0.621 0.000 2.708 303 T HA -0.099 4.243 4.350 -0.013 0.000 0.266 303 T C 1.834 176.251 174.700 -0.472 0.000 1.037 303 T CA 1.471 63.316 62.100 -0.424 0.000 1.146 303 T CB -0.386 68.242 68.868 -0.401 0.000 0.865 303 T HN 0.341 nan 8.240 nan 0.000 0.435 304 L N 0.688 121.685 121.223 -0.376 0.000 2.083 304 L HA -0.160 4.173 4.340 -0.013 0.000 0.209 304 L C 2.935 179.682 176.870 -0.205 0.000 1.083 304 L CA 1.394 56.069 54.840 -0.275 0.000 0.752 304 L CB -0.517 41.421 42.059 -0.201 0.000 0.899 304 L HN 0.362 nan 8.230 nan 0.000 0.433 305 Q N -0.542 119.134 119.800 -0.206 0.000 2.096 305 Q HA -0.263 4.070 4.340 -0.013 0.000 0.204 305 Q C 1.786 177.743 176.000 -0.073 0.000 0.982 305 Q CA 1.846 57.577 55.803 -0.119 0.000 0.850 305 Q CB -0.127 28.528 28.738 -0.138 0.000 0.901 305 Q HN 0.409 nan 8.270 nan 0.000 0.422 306 D N 0.481 120.825 120.400 -0.092 0.000 2.117 306 D HA -0.108 4.524 4.640 -0.013 0.000 0.197 306 D C 1.682 177.915 176.300 -0.112 0.000 0.987 306 D CA 0.885 54.878 54.000 -0.011 0.000 0.829 306 D CB -0.049 40.855 40.800 0.174 0.000 0.961 306 D HN 0.156 nan 8.370 nan 0.000 0.460 307 I N 0.119 120.511 120.570 -0.297 0.000 2.163 307 I HA -0.257 3.905 4.170 -0.013 0.000 0.243 307 I C 2.324 178.438 176.117 -0.005 0.000 1.085 307 I CA 0.822 61.891 61.300 -0.384 0.000 1.347 307 I CB -0.168 37.459 38.000 -0.623 0.000 1.044 307 I HN 0.058 nan 8.210 nan 0.000 0.408 308 I N 0.093 120.715 120.570 0.087 0.000 2.252 308 I HA -0.281 3.881 4.170 -0.013 0.000 0.245 308 I C 2.784 179.051 176.117 0.250 0.000 1.102 308 I CA 1.100 62.567 61.300 0.277 0.000 1.385 308 I CB -0.403 37.716 38.000 0.199 0.000 1.064 308 I HN 0.182 nan 8.210 nan 0.000 0.414 309 R N 1.148 121.722 120.500 0.124 0.000 2.083 309 R HA -0.232 4.101 4.340 -0.013 0.000 0.237 309 R C 2.492 178.846 176.300 0.090 0.000 1.137 309 R CA 1.829 57.984 56.100 0.092 0.000 0.951 309 R CB -0.267 30.062 30.300 0.048 0.000 0.851 309 R HN 0.223 nan 8.270 nan 0.000 0.434 310 R N -0.617 119.932 120.500 0.081 0.000 2.096 310 R HA -0.162 4.171 4.340 -0.013 0.000 0.235 310 R C 2.185 178.571 176.300 0.143 0.000 1.127 310 R CA 1.625 57.779 56.100 0.088 0.000 0.968 310 R CB -0.352 29.986 30.300 0.064 0.000 0.861 310 R HN 0.275 nan 8.270 nan 0.000 0.440 311 F N 1.401 121.379 119.950 0.046 0.000 2.146 311 F HA -0.106 4.414 4.527 -0.013 0.000 0.298 311 F C 1.690 177.508 175.800 0.030 0.000 1.096 311 F CA 1.538 59.561 58.000 0.039 0.000 1.275 311 F CB 0.028 39.097 39.000 0.116 0.000 1.008 311 F HN -0.139 nan 8.300 nan 0.000 0.480 312 K N -0.329 120.030 120.400 -0.069 0.000 2.103 312 K HA 0.000 4.313 4.320 -0.013 0.000 0.204 312 K C 1.030 177.555 176.600 -0.125 0.000 1.052 312 K CA 1.220 57.398 56.287 -0.180 0.000 0.945 312 K CB -0.237 32.265 32.500 0.002 0.000 0.722 312 K HN 0.076 nan 8.250 nan 0.000 0.443 313 S N 1.728 117.413 115.700 -0.025 0.000 2.945 313 S HA 0.086 4.548 4.470 -0.013 0.000 0.227 313 S C -0.360 174.293 174.600 0.089 0.000 1.353 313 S CA -0.567 57.656 58.200 0.038 0.000 1.236 313 S CB 0.092 63.333 63.200 0.068 0.000 1.069 313 S HN 0.233 nan 8.310 nan 0.000 0.509 314 S N 0.056 115.745 115.700 -0.017 0.000 2.600 314 S HA 0.510 4.973 4.470 -0.013 0.000 0.300 314 S C 0.402 174.944 174.600 -0.098 0.000 1.087 314 S CA -1.018 57.158 58.200 -0.039 0.000 0.965 314 S CB 1.677 64.836 63.200 -0.069 0.000 1.089 314 S HN 0.237 nan 8.310 nan 0.000 0.496 315 K N -0.285 120.001 120.400 -0.191 0.000 2.442 315 K HA 0.015 4.327 4.320 -0.013 0.000 0.198 315 K C 1.097 177.652 176.600 -0.075 0.000 1.042 315 K CA 0.649 56.824 56.287 -0.186 0.000 0.958 315 K CB -0.255 32.073 32.500 -0.286 0.000 0.766 315 K HN 0.652 nan 8.250 nan 0.000 0.474 316 F N 0.084 119.927 119.950 -0.178 0.000 2.025 316 F HA 0.088 4.608 4.527 -0.013 0.000 0.291 316 F C 1.168 176.877 175.800 -0.152 0.000 1.150 316 F CA 2.037 59.948 58.000 -0.149 0.000 1.166 316 F CB -0.140 38.772 39.000 -0.147 0.000 0.995 316 F HN 0.162 nan 8.300 nan 0.000 0.474 325 N N 0.708 119.409 118.700 0.000 0.000 2.485 325 N HA 0.321 5.054 4.740 -0.013 0.000 0.243 325 N C -0.653 174.953 175.510 0.161 0.000 0.987 325 N CA -0.160 52.961 53.050 0.117 0.000 0.940 325 N CB 0.474 39.037 38.487 0.127 0.000 1.122 325 N HN 0.138 nan 8.380 nan 0.000 0.509 326 F N 1.480 121.560 119.950 0.217 0.000 2.811 326 F HA 0.095 4.614 4.527 -0.013 0.000 0.301 326 F C 1.849 177.726 175.800 0.127 0.000 1.151 326 F CA -0.065 58.029 58.000 0.157 0.000 1.412 326 F CB 0.287 39.255 39.000 -0.054 0.000 1.113 326 F HN 0.477 nan 8.300 nan 0.000 0.579 327 D N 0.454 121.013 120.400 0.264 0.000 2.182 327 D HA -0.161 4.472 4.640 -0.013 0.000 0.201 327 D C 2.158 178.561 176.300 0.171 0.000 0.986 327 D CA 1.375 55.485 54.000 0.183 0.000 0.847 327 D CB 0.012 40.903 40.800 0.151 0.000 0.942 327 D HN 0.320 nan 8.370 nan 0.000 0.467 328 A N -0.204 122.750 122.820 0.223 0.000 2.251 328 A HA 0.055 4.368 4.320 -0.013 0.000 0.209 328 A C 1.650 179.290 177.584 0.093 0.000 1.187 328 A CA -0.307 51.825 52.037 0.159 0.000 0.823 328 A CB -0.611 18.522 19.000 0.221 0.000 0.846 328 A HN 0.123 nan 8.150 nan 0.000 0.486 329 F N 1.930 121.812 119.950 -0.114 0.000 2.065 329 F HA -0.138 4.382 4.527 -0.012 0.000 0.298 329 F C -0.768 174.876 175.800 -0.258 0.000 1.112 329 F CA 2.529 60.251 58.000 -0.462 0.000 1.212 329 F CB -0.486 38.265 39.000 -0.415 0.000 0.975 329 F HN 0.204 nan 8.300 nan 0.000 0.476 330 P HA -0.083 nan 4.420 nan 0.000 0.230 330 P C 0.639 177.848 177.300 -0.152 0.000 1.158 330 P CA 1.327 64.355 63.100 -0.120 0.000 0.769 330 P CB -0.069 31.602 31.700 -0.050 0.000 0.807 331 D N -0.714 119.600 120.400 -0.144 0.000 2.323 331 D HA -0.025 4.608 4.640 -0.013 0.000 0.209 331 D C 1.501 177.681 176.300 -0.201 0.000 0.973 331 D CA 0.894 54.806 54.000 -0.147 0.000 0.874 331 D CB 0.137 40.857 40.800 -0.134 0.000 0.930 331 D HN 0.158 nan 8.370 nan 0.000 0.521 332 K N 0.035 120.282 120.400 -0.256 0.000 2.412 332 K HA 0.208 4.521 4.320 -0.013 0.000 0.202 332 K C -0.080 176.363 176.600 -0.262 0.000 1.102 332 K CA 0.086 56.230 56.287 -0.237 0.000 1.027 332 K CB 2.420 34.834 32.500 -0.144 0.000 0.931 332 K HN -0.067 nan 8.250 nan 0.000 0.557 333 V N 1.071 120.754 119.914 -0.385 0.000 2.686 333 V HA 0.601 4.713 4.120 -0.013 0.000 0.306 333 V C -1.054 174.908 176.094 -0.220 0.000 1.065 333 V CA -1.238 60.846 62.300 -0.361 0.000 0.894 333 V CB 1.812 33.133 31.823 -0.837 0.000 1.004 333 V HN 0.119 nan 8.190 nan 0.000 0.424 334 A N 5.648 128.395 122.820 -0.122 0.000 2.343 334 A HA 0.936 5.249 4.320 -0.013 0.000 0.316 334 A C -0.980 176.608 177.584 0.007 0.000 1.104 334 A CA -0.503 51.505 52.037 -0.049 0.000 0.768 334 A CB 1.054 19.990 19.000 -0.106 0.000 1.213 334 A HN 0.771 nan 8.150 nan 0.000 0.456 335 I N 1.768 122.391 120.570 0.089 0.000 2.382 335 I HA 0.304 4.466 4.170 -0.013 0.000 0.286 335 I C -0.364 175.837 176.117 0.139 0.000 1.002 335 I CA -0.544 60.824 61.300 0.114 0.000 1.135 335 I CB 1.954 40.006 38.000 0.086 0.000 1.288 335 I HN 0.682 nan 8.210 nan 0.000 0.448 336 Q N 6.808 126.687 119.800 0.131 0.000 2.314 336 Q HA 0.506 4.839 4.340 -0.013 0.000 0.259 336 Q C -1.312 174.676 176.000 -0.020 0.000 0.951 336 Q CA -0.269 55.636 55.803 0.170 0.000 0.909 336 Q CB 1.296 30.241 28.738 0.346 0.000 1.236 336 Q HN 0.566 nan 8.270 nan 0.000 0.444 337 L N 3.705 124.959 121.223 0.051 0.000 2.261 337 L HA 0.398 4.731 4.340 -0.013 0.000 0.289 337 L C 0.076 176.963 176.870 0.029 0.000 1.059 337 L CA -0.741 54.122 54.840 0.038 0.000 0.816 337 L CB 0.612 42.746 42.059 0.125 0.000 1.191 337 L HN 0.556 nan 8.230 nan 0.000 0.431 338 N N 4.370 123.011 118.700 -0.099 0.000 2.448 338 N HA 0.065 4.797 4.740 -0.013 0.000 0.250 338 N C -0.152 175.374 175.510 0.027 0.000 1.136 338 N CA 0.498 53.539 53.050 -0.014 0.000 0.953 338 N CB -0.047 38.361 38.487 -0.131 0.000 1.251 338 N HN 0.622 nan 8.380 nan 0.000 0.502 339 D N -0.040 120.467 120.400 0.178 0.000 4.160 339 D HA -0.224 4.408 4.640 -0.013 0.000 0.291 339 D C 0.337 176.725 176.300 0.147 0.000 2.226 339 D CA 1.537 55.610 54.000 0.123 0.000 1.157 339 D CB -0.502 40.089 40.800 -0.349 0.000 1.020 339 D HN 0.516 nan 8.370 nan 0.000 1.219 340 T N -2.479 112.102 114.554 0.044 0.000 3.129 340 T HA 0.084 4.427 4.350 -0.013 0.000 0.251 340 T C 1.634 176.404 174.700 0.117 0.000 1.117 340 T CA 1.513 63.630 62.100 0.030 0.000 1.034 340 T CB -0.502 68.354 68.868 -0.019 0.000 0.968 340 T HN 0.509 nan 8.240 nan 0.000 0.526 341 H N 2.663 121.823 119.070 0.151 0.000 2.353 341 H HA -0.009 4.539 4.556 -0.013 0.000 0.298 341 H C -0.869 174.549 175.328 0.150 0.000 1.103 341 H CA 1.036 57.187 56.048 0.172 0.000 1.293 341 H CB -0.995 28.869 29.762 0.171 0.000 1.372 341 H HN 0.438 nan 8.280 nan 0.000 0.501 342 P HA 0.074 nan 4.420 nan 0.000 0.254 342 P C 0.719 178.061 177.300 0.071 0.000 1.620 342 P CA 0.349 63.528 63.100 0.131 0.000 1.050 342 P CB 0.275 32.040 31.700 0.109 0.000 1.539 343 S N -0.256 115.481 115.700 0.061 0.000 2.440 343 S HA -0.128 4.334 4.470 -0.013 0.000 0.238 343 S C 1.738 176.338 174.600 0.000 0.000 1.010 343 S CA 0.780 58.976 58.200 -0.007 0.000 0.972 343 S CB -1.474 61.699 63.200 -0.045 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 1.046 122.283 121.223 0.023 0.000 2.549 344 L HA 0.020 4.352 4.340 -0.013 0.000 0.230 344 L C 2.926 179.822 176.870 0.043 0.000 1.162 344 L CA 0.601 55.455 54.840 0.022 0.000 0.834 344 L CB -0.773 41.297 42.059 0.018 0.000 0.947 344 L HN 0.470 nan 8.230 nan 0.000 0.452 345 A N 0.630 123.459 122.820 0.015 0.000 1.940 345 A HA -0.212 4.101 4.320 -0.013 0.000 0.219 345 A C 2.178 179.758 177.584 -0.007 0.000 1.176 345 A CA 1.599 53.632 52.037 -0.008 0.000 0.631 345 A CB -0.479 18.510 19.000 -0.019 0.000 0.814 345 A HN 0.375 nan 8.150 nan 0.000 0.446 346 I N 0.251 120.819 120.570 -0.004 0.000 2.090 346 I HA -0.146 4.016 4.170 -0.013 0.000 0.236 346 I C -0.351 175.784 176.117 0.029 0.000 1.064 346 I CA 1.598 62.894 61.300 -0.006 0.000 1.324 346 I CB -0.998 36.999 38.000 -0.004 0.000 1.044 346 I HN 0.244 nan 8.210 nan 0.000 0.399 347 P HA -0.167 nan 4.420 nan 0.000 0.221 347 P C 1.275 178.614 177.300 0.064 0.000 1.150 347 P CA 1.465 64.606 63.100 0.069 0.000 0.800 347 P CB 0.035 31.798 31.700 0.106 0.000 0.787 348 E N 0.248 120.543 120.200 0.159 0.000 2.072 348 E HA -0.151 4.192 4.350 -0.013 0.000 0.191 348 E C 1.918 178.508 176.600 -0.015 0.000 0.985 348 E CA 0.677 57.182 56.400 0.175 0.000 0.801 348 E CB -1.213 28.624 29.700 0.227 0.000 0.750 348 E HN -0.010 nan 8.360 nan 0.000 0.452 349 L N 0.014 121.197 121.223 -0.067 0.000 2.046 349 L HA -0.118 4.215 4.340 -0.013 0.000 0.208 349 L C 2.097 178.832 176.870 -0.225 0.000 1.077 349 L CA 1.793 56.536 54.840 -0.161 0.000 0.747 349 L CB -0.609 41.358 42.059 -0.154 0.000 0.896 349 L HN 0.240 nan 8.230 nan 0.000 0.432 350 M N -0.793 118.688 119.600 -0.198 0.000 2.108 350 M HA -0.232 4.241 4.480 -0.013 0.000 0.261 350 M C 2.429 178.570 176.300 -0.265 0.000 1.066 350 M CA 1.608 56.738 55.300 -0.283 0.000 1.107 350 M CB -1.254 31.158 32.600 -0.313 0.000 1.356 350 M HN 0.341 nan 8.290 nan 0.000 0.406 351 R N 0.085 120.456 120.500 -0.215 0.000 2.080 351 R HA -0.138 4.194 4.340 -0.013 0.000 0.236 351 R C 2.092 178.289 176.300 -0.172 0.000 1.137 351 R CA 1.809 57.782 56.100 -0.212 0.000 0.943 351 R CB -0.240 29.883 30.300 -0.295 0.000 0.846 351 R HN 0.213 nan 8.270 nan 0.000 0.431 352 V N 1.566 121.379 119.914 -0.168 0.000 2.255 352 V HA -0.273 3.839 4.120 -0.013 0.000 0.247 352 V C 2.453 178.387 176.094 -0.266 0.000 1.051 352 V CA 1.867 64.059 62.300 -0.179 0.000 1.018 352 V CB -0.463 31.253 31.823 -0.178 0.000 0.641 352 V HN 0.350 nan 8.190 nan 0.000 0.445 353 L N -0.602 120.402 121.223 -0.366 0.000 2.046 353 L HA -0.138 4.195 4.340 -0.013 0.000 0.208 353 L C 2.397 179.083 176.870 -0.305 0.000 1.077 353 L CA 1.162 55.719 54.840 -0.472 0.000 0.747 353 L CB -0.625 41.113 42.059 -0.535 0.000 0.896 353 L HN 0.211 nan 8.230 nan 0.000 0.432 354 V N -0.593 119.186 119.914 -0.225 0.000 2.331 354 V HA -0.181 3.931 4.120 -0.013 0.000 0.242 354 V C 1.943 177.994 176.094 -0.072 0.000 1.034 354 V CA 1.698 63.927 62.300 -0.118 0.000 1.027 354 V CB -0.359 31.426 31.823 -0.064 0.000 0.667 354 V HN 0.344 nan 8.190 nan 0.000 0.457 355 D N -0.108 120.244 120.400 -0.080 0.000 2.162 355 D HA 0.006 4.638 4.640 -0.013 0.000 0.203 355 D C 1.995 178.267 176.300 -0.048 0.000 0.967 355 D CA 1.119 55.089 54.000 -0.050 0.000 0.840 355 D CB 0.110 40.877 40.800 -0.055 0.000 0.972 355 D HN 0.335 nan 8.370 nan 0.000 0.482 356 L N 0.064 121.242 121.223 -0.074 0.000 2.362 356 L HA 0.138 4.470 4.340 -0.013 0.000 0.204 356 L C 1.799 178.638 176.870 -0.052 0.000 1.060 356 L CA 0.433 55.241 54.840 -0.054 0.000 0.827 356 L CB 0.115 42.142 42.059 -0.052 0.000 1.027 356 L HN -0.199 nan 8.230 nan 0.000 0.474 357 E N 0.422 120.557 120.200 -0.109 0.000 2.447 357 E HA 0.045 4.387 4.350 -0.013 0.000 0.195 357 E C 0.065 176.628 176.600 -0.062 0.000 1.028 357 E CA -0.037 56.306 56.400 -0.096 0.000 0.876 357 E CB 0.369 29.897 29.700 -0.287 0.000 0.885 357 E HN 0.193 nan 8.360 nan 0.000 0.500 358 R N -0.223 120.237 120.500 -0.067 0.000 3.656 358 R HA -0.185 4.147 4.340 -0.013 0.000 0.297 358 R C -0.326 175.960 176.300 -0.024 0.000 1.166 358 R CA 0.241 56.325 56.100 -0.027 0.000 0.799 358 R CB -2.921 27.381 30.300 0.004 0.000 1.285 358 R HN 0.088 nan 8.270 nan 0.000 0.477 359 L N 2.239 123.419 121.223 -0.072 0.000 2.436 359 L HA 0.143 4.475 4.340 -0.013 0.000 0.265 359 L C 1.471 178.334 176.870 -0.011 0.000 1.168 359 L CA 0.274 55.082 54.840 -0.054 0.000 0.815 359 L CB 0.417 42.395 42.059 -0.135 0.000 1.109 359 L HN 0.143 nan 8.230 nan 0.000 0.462 360 D N 1.041 121.459 120.400 0.031 0.000 2.362 360 D HA -0.140 4.493 4.640 -0.013 0.000 0.242 360 D C 0.906 177.276 176.300 0.117 0.000 1.132 360 D CA -0.519 53.534 54.000 0.088 0.000 0.907 360 D CB 0.741 41.598 40.800 0.095 0.000 1.195 360 D HN 0.612 nan 8.370 nan 0.000 0.429 361 W N 1.920 123.224 121.300 0.005 0.000 2.317 361 W HA -0.239 4.414 4.660 -0.012 0.000 0.318 361 W C 1.074 177.638 176.519 0.075 0.000 1.227 361 W CA 1.952 59.307 57.345 0.017 0.000 1.269 361 W CB -0.291 29.158 29.460 -0.018 0.000 1.155 361 W HN 0.460 nan 8.180 nan 0.000 0.484 362 D N 0.252 120.852 120.400 0.333 0.000 2.123 362 D HA -0.203 4.429 4.640 -0.013 0.000 0.196 362 D C 1.883 178.288 176.300 0.174 0.000 0.992 362 D CA 1.954 56.121 54.000 0.279 0.000 0.833 362 D CB -0.406 40.526 40.800 0.221 0.000 0.954 362 D HN 0.078 nan 8.370 nan 0.000 0.455 363 K N 1.115 121.575 120.400 0.100 0.000 2.031 363 K HA 0.042 4.354 4.320 -0.013 0.000 0.205 363 K C 1.858 178.451 176.600 -0.013 0.000 1.049 363 K CA 1.438 57.756 56.287 0.052 0.000 0.939 363 K CB -0.622 31.904 32.500 0.044 0.000 0.717 363 K HN -0.013 nan 8.250 nan 0.000 0.438 364 A N 0.751 123.521 122.820 -0.083 0.000 1.917 364 A HA -0.210 4.103 4.320 -0.013 0.000 0.219 364 A C 2.268 179.758 177.584 -0.158 0.000 1.182 364 A CA 1.645 53.564 52.037 -0.196 0.000 0.633 364 A CB -1.249 17.569 19.000 -0.303 0.000 0.819 364 A HN 0.710 nan 8.150 nan 0.000 0.448 365 W N 0.541 121.636 121.300 -0.341 0.000 2.381 365 W HA -0.162 4.491 4.660 -0.012 0.000 0.301 365 W C 2.013 178.472 176.519 -0.100 0.000 1.205 365 W CA 1.763 58.952 57.345 -0.260 0.000 1.285 365 W CB -0.148 29.192 29.460 -0.201 0.000 1.133 365 W HN 0.625 nan 8.180 nan 0.000 0.521 366 E N 0.162 120.352 120.200 -0.017 0.000 2.058 366 E HA -0.240 4.102 4.350 -0.013 0.000 0.194 366 E C 2.036 178.555 176.600 -0.135 0.000 0.997 366 E CA 2.109 58.463 56.400 -0.076 0.000 0.801 366 E CB -0.350 29.364 29.700 0.023 0.000 0.746 366 E HN 0.052 nan 8.360 nan 0.000 0.450 367 V N 0.711 120.562 119.914 -0.104 0.000 2.295 367 V HA -0.265 3.847 4.120 -0.013 0.000 0.246 367 V C 2.407 178.434 176.094 -0.112 0.000 1.049 367 V CA 2.206 64.463 62.300 -0.072 0.000 1.024 367 V CB -0.797 30.982 31.823 -0.073 0.000 0.648 367 V HN 0.400 nan 8.190 nan 0.000 0.447 368 T N 0.048 114.464 114.554 -0.230 0.000 2.652 368 T HA -0.188 4.155 4.350 -0.013 0.000 0.267 368 T C 1.950 176.466 174.700 -0.308 0.000 1.039 368 T CA 1.811 63.748 62.100 -0.272 0.000 1.153 368 T CB -0.328 68.322 68.868 -0.364 0.000 0.863 368 T HN 0.271 nan 8.240 nan 0.000 0.428 369 V N 1.438 121.050 119.914 -0.505 0.000 2.287 369 V HA -0.190 3.922 4.120 -0.013 0.000 0.248 369 V C 2.389 178.424 176.094 -0.097 0.000 1.053 369 V CA 1.682 63.744 62.300 -0.398 0.000 1.027 369 V CB -0.508 31.001 31.823 -0.523 0.000 0.646 369 V HN 0.464 nan 8.190 nan 0.000 0.447 370 K N -0.512 119.811 120.400 -0.128 0.000 2.283 370 K HA -0.104 4.208 4.320 -0.013 0.000 0.202 370 K C 2.080 178.617 176.600 -0.105 0.000 1.048 370 K CA 1.594 57.781 56.287 -0.168 0.000 0.948 370 K CB -0.214 32.198 32.500 -0.147 0.000 0.742 370 K HN 0.490 nan 8.250 nan 0.000 0.458 371 T N 0.078 114.639 114.554 0.013 0.000 2.976 371 T HA 0.022 4.365 4.350 -0.013 0.000 0.257 371 T C 0.890 175.683 174.700 0.156 0.000 1.051 371 T CA 0.387 62.531 62.100 0.073 0.000 1.141 371 T CB 0.118 69.064 68.868 0.129 0.000 0.881 371 T HN 0.160 nan 8.240 nan 0.000 0.461 372 C N 2.391 121.774 119.300 0.138 0.000 2.401 372 C HA 0.883 5.335 4.460 -0.013 0.000 0.365 372 C C 0.592 175.644 174.990 0.103 0.000 1.250 372 C CA -1.210 57.871 59.018 0.106 0.000 2.131 372 C CB 0.069 27.810 27.740 0.002 0.000 2.445 372 C HN 0.598 nan 8.230 nan 0.000 0.550 373 A N 2.166 125.038 122.820 0.087 0.000 2.498 373 A HA 0.784 5.097 4.320 -0.013 0.000 0.298 373 A C -1.590 176.065 177.584 0.117 0.000 1.075 373 A CA -0.432 51.604 52.037 -0.002 0.000 0.714 373 A CB 1.109 20.108 19.000 -0.000 0.000 1.299 373 A HN 0.951 nan 8.150 nan 0.000 0.407 374 Y N 0.999 121.247 120.300 -0.085 0.000 2.361 374 Y HA 0.616 5.159 4.550 -0.012 0.000 0.337 374 Y C -0.589 175.290 175.900 -0.034 0.000 0.965 374 Y CA -0.310 57.751 58.100 -0.066 0.000 1.091 374 Y CB 2.052 40.429 38.460 -0.138 0.000 1.182 374 Y HN 0.569 nan 8.280 nan 0.000 0.450 375 T N 6.570 120.903 114.554 -0.368 0.000 2.758 375 T HA 0.177 4.519 4.350 -0.013 0.000 0.285 375 T C -0.650 173.605 174.700 -0.742 0.000 0.981 375 T CA -0.740 61.093 62.100 -0.445 0.000 0.965 375 T CB 0.341 69.182 68.868 -0.044 0.000 0.927 375 T HN 0.643 nan 8.240 nan 0.000 0.448 376 N N 1.801 120.056 118.700 -0.743 0.000 2.479 376 N HA 0.110 4.842 4.740 -0.013 0.000 0.285 376 N C 0.156 175.573 175.510 -0.154 0.000 1.075 376 N CA -0.260 52.594 53.050 -0.326 0.000 0.967 376 N CB 0.754 39.218 38.487 -0.039 0.000 1.137 376 N HN 0.647 nan 8.380 nan 0.000 0.472 377 H N 0.914 120.013 119.070 0.049 0.000 2.986 377 H HA 0.156 4.705 4.556 -0.013 0.000 0.267 377 H C -0.157 175.093 175.328 -0.131 0.000 1.072 377 H CA 0.172 56.200 56.048 -0.033 0.000 1.202 377 H CB 1.163 30.910 29.762 -0.025 0.000 1.535 377 H HN 0.552 nan 8.280 nan 0.000 0.522 378 T N -0.057 114.527 114.554 0.049 0.000 2.827 378 T HA 0.209 4.551 4.350 -0.013 0.000 0.328 378 T C 0.365 175.095 174.700 0.051 0.000 1.598 378 T CA -0.284 61.791 62.100 -0.041 0.000 1.043 378 T CB 1.137 69.964 68.868 -0.068 0.000 1.447 378 T HN -0.062 nan 8.240 nan 0.000 0.491 379 V N 1.751 121.659 119.914 -0.010 0.000 3.578 379 V HA 0.549 4.662 4.120 -0.013 0.000 0.290 379 V C 0.725 176.783 176.094 -0.059 0.000 1.376 379 V CA -0.002 62.278 62.300 -0.032 0.000 1.083 379 V CB -0.491 31.312 31.823 -0.032 0.000 0.911 379 V HN 0.710 nan 8.190 nan 0.000 0.433 380 L N 2.982 124.159 121.223 -0.077 0.000 2.534 380 L HA 0.191 4.523 4.340 -0.013 0.000 0.271 380 L C -0.573 176.290 176.870 -0.011 0.000 1.178 380 L CA -0.940 53.874 54.840 -0.042 0.000 0.907 380 L CB 0.610 42.628 42.059 -0.069 0.000 1.164 380 L HN 0.146 nan 8.230 nan 0.000 0.482 381 P HA -0.207 nan 4.420 nan 0.000 0.216 381 P C 1.019 178.311 177.300 -0.013 0.000 1.150 381 P CA 1.225 64.318 63.100 -0.012 0.000 0.837 381 P CB 0.044 31.742 31.700 -0.003 0.000 0.786 382 E N 0.397 120.615 120.200 0.029 0.000 2.338 382 E HA -0.074 4.268 4.350 -0.013 0.000 0.197 382 E C 1.624 178.185 176.600 -0.065 0.000 1.007 382 E CA 1.188 57.590 56.400 0.003 0.000 0.849 382 E CB -0.773 29.023 29.700 0.160 0.000 0.774 382 E HN 0.207 nan 8.360 nan 0.000 0.506 383 A N 1.238 124.063 122.820 0.008 0.000 2.195 383 A HA 0.236 4.548 4.320 -0.013 0.000 0.210 383 A C 1.331 178.907 177.584 -0.013 0.000 1.165 383 A CA -0.314 51.747 52.037 0.040 0.000 0.806 383 A CB -0.047 19.003 19.000 0.084 0.000 0.847 383 A HN 0.140 nan 8.150 nan 0.000 0.482 384 L N 1.627 122.795 121.223 -0.091 0.000 2.410 384 L HA 0.122 4.455 4.340 -0.013 0.000 0.273 384 L C -0.103 176.450 176.870 -0.528 0.000 1.152 384 L CA -0.113 54.615 54.840 -0.188 0.000 0.855 384 L CB 0.591 42.566 42.059 -0.140 0.000 1.129 384 L HN 0.347 nan 8.230 nan 0.000 0.463 385 E N 4.464 124.277 120.200 -0.646 0.000 2.180 385 E HA 0.214 4.556 4.350 -0.013 0.000 0.283 385 E C -0.570 175.404 176.600 -1.043 0.000 1.061 385 E CA -0.157 55.441 56.400 -1.336 0.000 0.861 385 E CB 0.722 29.999 29.700 -0.706 0.000 1.056 385 E HN 0.392 nan 8.360 nan 0.000 0.407 386 R N 3.622 123.322 120.500 -1.333 0.000 2.472 386 R HA 0.195 4.528 4.340 -0.013 0.000 0.294 386 R C -1.276 174.803 176.300 -0.368 0.000 1.243 386 R CA -0.527 55.230 56.100 -0.571 0.000 1.023 386 R CB 0.820 30.922 30.300 -0.331 0.000 1.157 386 R HN 0.449 nan 8.270 nan 0.000 0.530 387 W N 4.523 125.752 121.300 -0.119 0.000 2.287 387 W HA 0.276 4.928 4.660 -0.013 0.000 0.313 387 W C -1.879 174.614 176.519 -0.043 0.000 1.267 387 W CA -2.155 55.192 57.345 0.004 0.000 1.201 387 W CB 0.774 30.218 29.460 -0.026 0.000 1.196 387 W HN 0.257 nan 8.180 nan 0.000 0.536 388 P HA -0.091 nan 4.420 nan 0.000 0.264 388 P C 0.811 178.060 177.300 -0.085 0.000 1.193 388 P CA 0.241 63.327 63.100 -0.023 0.000 0.763 388 P CB 0.716 32.244 31.700 -0.287 0.000 0.810 389 V N 3.387 123.301 119.914 0.000 0.000 2.380 389 V HA -0.296 3.817 4.120 -0.013 0.000 0.251 389 V C 2.154 178.257 176.094 0.016 0.000 1.063 389 V CA 2.605 64.921 62.300 0.026 0.000 1.055 389 V CB -1.681 30.216 31.823 0.123 0.000 0.657 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -1.067 118.060 119.070 0.095 0.000 2.421 390 H HA -0.083 4.465 4.556 -0.012 0.000 0.298 390 H C 2.006 177.382 175.328 0.080 0.000 1.087 390 H CA 1.649 57.749 56.048 0.086 0.000 1.330 390 H CB -0.623 29.191 29.762 0.088 0.000 1.388 390 H HN 0.358 nan 8.280 nan 0.000 0.526 391 L N 0.006 121.076 121.223 -0.254 0.000 2.027 391 L HA -0.105 4.227 4.340 -0.013 0.000 0.206 391 L C 2.432 179.254 176.870 -0.081 0.000 1.074 391 L CA 1.091 55.880 54.840 -0.086 0.000 0.745 391 L CB -0.303 41.697 42.059 -0.098 0.000 0.898 391 L HN 0.307 nan 8.230 nan 0.000 0.433 392 L N -0.623 120.527 121.223 -0.121 0.000 2.141 392 L HA -0.221 4.111 4.340 -0.013 0.000 0.209 392 L C 2.511 179.316 176.870 -0.108 0.000 1.094 392 L CA 1.069 55.812 54.840 -0.161 0.000 0.763 392 L CB -0.417 41.535 42.059 -0.177 0.000 0.908 392 L HN 0.320 nan 8.230 nan 0.000 0.437 393 E N -0.334 119.846 120.200 -0.033 0.000 2.077 393 E HA -0.207 4.136 4.350 -0.013 0.000 0.193 393 E C 1.945 178.578 176.600 0.056 0.000 0.989 393 E CA 1.910 58.321 56.400 0.019 0.000 0.800 393 E CB 0.143 29.893 29.700 0.084 0.000 0.746 393 E HN 0.422 nan 8.360 nan 0.000 0.452 394 T N 0.820 115.430 114.554 0.094 0.000 2.809 394 T HA -0.089 4.253 4.350 -0.013 0.000 0.260 394 T C 1.763 176.562 174.700 0.165 0.000 1.039 394 T CA 0.791 62.997 62.100 0.177 0.000 1.141 394 T CB -0.161 68.845 68.868 0.231 0.000 0.869 394 T HN 0.072 nan 8.240 nan 0.000 0.437 395 L N -0.018 121.202 121.223 -0.004 0.000 2.095 395 L HA 0.322 4.654 4.340 -0.013 0.000 0.204 395 L C 0.412 177.214 176.870 -0.114 0.000 1.080 395 L CA 1.597 56.314 54.840 -0.204 0.000 0.759 395 L CB 0.025 41.932 42.059 -0.253 0.000 0.914 395 L HN 0.178 nan 8.230 nan 0.000 0.439 396 L N 0.600 121.722 121.223 -0.168 0.000 2.551 396 L HA 0.288 4.621 4.340 -0.013 0.000 0.248 396 L C -1.729 174.958 176.870 -0.306 0.000 1.509 396 L CA -0.938 53.719 54.840 -0.306 0.000 0.842 396 L CB 0.943 42.681 42.059 -0.534 0.000 1.087 396 L HN -0.056 nan 8.230 nan 0.000 0.512 397 P HA -0.179 nan 4.420 nan 0.000 0.217 397 P C 1.450 178.550 177.300 -0.334 0.000 1.150 397 P CA 1.066 64.040 63.100 -0.210 0.000 0.832 397 P CB 0.397 32.049 31.700 -0.079 0.000 0.787 398 R N -0.138 119.976 120.500 -0.643 0.000 2.090 398 R HA -0.124 4.209 4.340 -0.013 0.000 0.228 398 R C 2.280 178.261 176.300 -0.532 0.000 1.110 398 R CA 1.612 57.338 56.100 -0.623 0.000 0.973 398 R CB -1.622 28.140 30.300 -0.898 0.000 0.869 398 R HN 0.245 nan 8.270 nan 0.000 0.440 399 H N -0.384 118.372 119.070 -0.524 0.000 2.387 399 H HA -0.037 4.512 4.556 -0.013 0.000 0.299 399 H C 1.799 176.952 175.328 -0.292 0.000 1.090 399 H CA 1.613 57.439 56.048 -0.370 0.000 1.332 399 H CB -0.095 29.415 29.762 -0.420 0.000 1.386 399 H HN 0.078 nan 8.280 nan 0.000 0.516 400 L N 0.543 121.634 121.223 -0.219 0.000 2.046 400 L HA -0.251 4.081 4.340 -0.013 0.000 0.208 400 L C 1.892 178.548 176.870 -0.357 0.000 1.077 400 L CA 1.617 56.252 54.840 -0.342 0.000 0.747 400 L CB -0.301 41.566 42.059 -0.320 0.000 0.896 400 L HN 0.450 nan 8.230 nan 0.000 0.432 401 Q N -0.323 119.380 119.800 -0.162 0.000 2.096 401 Q HA -0.240 4.093 4.340 -0.013 0.000 0.204 401 Q C 2.161 178.173 176.000 0.020 0.000 0.982 401 Q CA 1.670 57.472 55.803 -0.002 0.000 0.850 401 Q CB -0.108 28.636 28.738 0.009 0.000 0.901 401 Q HN 0.557 nan 8.270 nan 0.000 0.422 402 I N 0.327 120.890 120.570 -0.012 0.000 2.252 402 I HA -0.266 3.897 4.170 -0.013 0.000 0.245 402 I C 2.127 178.324 176.117 0.134 0.000 1.102 402 I CA 1.001 62.381 61.300 0.133 0.000 1.385 402 I CB -0.120 37.914 38.000 0.056 0.000 1.064 402 I HN 0.186 nan 8.210 nan 0.000 0.414 403 I N -0.509 120.059 120.570 -0.004 0.000 2.226 403 I HA -0.316 3.847 4.170 -0.013 0.000 0.245 403 I C 2.381 178.524 176.117 0.043 0.000 1.100 403 I CA 1.374 62.663 61.300 -0.018 0.000 1.374 403 I CB -0.384 37.540 38.000 -0.126 0.000 1.057 403 I HN 0.156 nan 8.210 nan 0.000 0.413 404 Y N 0.872 121.178 120.300 0.011 0.000 2.165 404 Y HA -0.280 4.262 4.550 -0.013 0.000 0.286 404 Y C 2.611 178.479 175.900 -0.053 0.000 1.155 404 Y CA 1.578 59.670 58.100 -0.013 0.000 1.164 404 Y CB -0.802 37.642 38.460 -0.026 0.000 0.978 404 Y HN 0.209 nan 8.280 nan 0.000 0.513 405 E N 0.315 120.556 120.200 0.069 0.000 2.072 405 E HA -0.131 4.212 4.350 -0.013 0.000 0.191 405 E C 2.090 178.610 176.600 -0.134 0.000 0.985 405 E CA 1.172 57.471 56.400 -0.169 0.000 0.801 405 E CB -0.522 28.899 29.700 -0.464 0.000 0.750 405 E HN 0.462 nan 8.360 nan 0.000 0.452 406 I N 0.754 121.354 120.570 0.049 0.000 2.163 406 I HA -0.305 3.857 4.170 -0.013 0.000 0.243 406 I C 2.291 178.416 176.117 0.014 0.000 1.085 406 I CA 1.451 62.736 61.300 -0.024 0.000 1.347 406 I CB -0.426 37.565 38.000 -0.014 0.000 1.044 406 I HN 0.220 nan 8.210 nan 0.000 0.408 407 N N 0.679 119.433 118.700 0.090 0.000 2.084 407 N HA -0.270 4.463 4.740 -0.013 0.000 0.190 407 N C 1.876 177.472 175.510 0.144 0.000 1.030 407 N CA 1.576 54.727 53.050 0.167 0.000 0.849 407 N CB -0.183 38.419 38.487 0.192 0.000 1.012 407 N HN 0.320 nan 8.380 nan 0.000 0.423 408 Q N 0.102 119.932 119.800 0.050 0.000 2.030 408 Q HA -0.163 4.169 4.340 -0.013 0.000 0.204 408 Q C 2.030 178.016 176.000 -0.023 0.000 0.986 408 Q CA 1.497 57.294 55.803 -0.011 0.000 0.843 408 Q CB -0.037 28.653 28.738 -0.079 0.000 0.904 408 Q HN 0.392 nan 8.270 nan 0.000 0.420 409 R N -0.681 119.783 120.500 -0.060 0.000 2.092 409 R HA -0.128 4.205 4.340 -0.013 0.000 0.231 409 R C 2.198 178.525 176.300 0.044 0.000 1.119 409 R CA 1.377 57.440 56.100 -0.061 0.000 0.970 409 R CB -0.396 29.815 30.300 -0.149 0.000 0.864 409 R HN 0.275 nan 8.270 nan 0.000 0.440 410 F N 1.435 121.361 119.950 -0.041 0.000 2.102 410 F HA -0.123 4.397 4.527 -0.013 0.000 0.298 410 F C 1.826 177.648 175.800 0.037 0.000 1.105 410 F CA 1.412 59.436 58.000 0.039 0.000 1.239 410 F CB -0.204 38.851 39.000 0.092 0.000 0.991 410 F HN -0.108 nan 8.300 nan 0.000 0.474 411 L N -0.053 121.185 121.223 0.025 0.000 2.201 411 L HA -0.217 4.115 4.340 -0.013 0.000 0.212 411 L C 1.965 178.775 176.870 -0.101 0.000 1.105 411 L CA 1.404 56.196 54.840 -0.080 0.000 0.775 411 L CB -0.869 41.205 42.059 0.026 0.000 0.913 411 L HN 0.261 nan 8.230 nan 0.000 0.440 412 N N -0.157 118.501 118.700 -0.070 0.000 2.166 412 N HA -0.160 4.572 4.740 -0.013 0.000 0.186 412 N C 1.921 177.380 175.510 -0.085 0.000 1.019 412 N CA 0.746 53.755 53.050 -0.068 0.000 0.856 412 N CB 0.019 38.472 38.487 -0.056 0.000 0.993 412 N HN 0.270 nan 8.380 nan 0.000 0.426 413 R N 0.491 120.922 120.500 -0.115 0.000 2.092 413 R HA -0.033 4.300 4.340 -0.013 0.000 0.231 413 R C 2.142 178.343 176.300 -0.165 0.000 1.119 413 R CA 0.761 56.785 56.100 -0.126 0.000 0.970 413 R CB -0.184 30.049 30.300 -0.111 0.000 0.864 413 R HN 0.075 nan 8.270 nan 0.000 0.440 414 V N 0.802 120.568 119.914 -0.247 0.000 2.295 414 V HA -0.233 3.880 4.120 -0.013 0.000 0.246 414 V C 2.395 178.484 176.094 -0.009 0.000 1.049 414 V CA 1.984 64.200 62.300 -0.141 0.000 1.024 414 V CB -0.699 30.972 31.823 -0.253 0.000 0.648 414 V HN 0.404 nan 8.190 nan 0.000 0.447 415 A N -0.017 122.772 122.820 -0.051 0.000 1.933 415 A HA -0.099 4.214 4.320 -0.013 0.000 0.218 415 A C 2.365 179.928 177.584 -0.035 0.000 1.175 415 A CA 2.056 54.079 52.037 -0.023 0.000 0.628 415 A CB -0.659 18.319 19.000 -0.036 0.000 0.814 415 A HN 0.580 nan 8.150 nan 0.000 0.444 416 A N -0.629 122.151 122.820 -0.066 0.000 1.968 416 A HA 0.325 4.638 4.320 -0.013 0.000 0.217 416 A C 2.350 179.848 177.584 -0.143 0.000 1.169 416 A CA 1.635 53.622 52.037 -0.085 0.000 0.638 416 A CB -0.620 18.334 19.000 -0.077 0.000 0.812 416 A HN 0.929 nan 8.150 nan 0.000 0.446 417 A N -1.558 121.137 122.820 -0.208 0.000 1.975 417 A HA 0.388 4.700 4.320 -0.013 0.000 0.215 417 A C 0.440 177.594 177.584 -0.717 0.000 1.170 417 A CA 0.521 52.269 52.037 -0.482 0.000 0.656 417 A CB -0.131 18.515 19.000 -0.591 0.000 0.821 417 A HN 0.414 nan 8.150 nan 0.000 0.449 418 F N 0.123 120.026 119.950 -0.078 0.000 2.622 418 F HA 0.348 4.867 4.527 -0.013 0.000 0.338 418 F C -2.799 172.965 175.800 -0.061 0.000 1.334 418 F CA -2.798 55.161 58.000 -0.068 0.000 1.179 418 F CB 0.830 39.782 39.000 -0.081 0.000 1.471 418 F HN -0.061 nan 8.300 nan 0.000 0.576 419 P HA 0.222 nan 4.420 nan 0.000 0.268 419 P C 1.008 178.328 177.300 0.034 0.000 1.204 419 P CA 0.862 63.975 63.100 0.021 0.000 0.768 419 P CB 1.013 32.707 31.700 -0.010 0.000 0.842 420 G N 2.404 111.216 108.800 0.020 0.000 2.205 420 G HA2 -0.247 3.706 3.960 -0.013 0.000 0.261 420 G HA3 -0.247 3.706 3.960 -0.013 0.000 0.261 420 G C 0.340 175.248 174.900 0.015 0.000 0.980 420 G CA 0.049 45.157 45.100 0.013 0.000 0.632 420 G HN 0.608 nan 8.290 nan 0.000 0.533 421 D N 1.479 121.896 120.400 0.029 0.000 2.508 421 D HA 0.371 5.003 4.640 -0.013 0.000 0.224 421 D C 2.089 178.379 176.300 -0.016 0.000 1.171 421 D CA 0.425 54.428 54.000 0.005 0.000 1.006 421 D CB 0.379 41.181 40.800 0.004 0.000 1.073 421 D HN 0.583 nan 8.370 nan 0.000 0.513 422 V N 0.671 120.577 119.914 -0.014 0.000 2.548 422 V HA -0.119 3.994 4.120 -0.013 0.000 0.249 422 V C 1.780 177.862 176.094 -0.020 0.000 1.055 422 V CA 1.377 63.668 62.300 -0.014 0.000 1.065 422 V CB -0.432 31.386 31.823 -0.008 0.000 0.681 422 V HN 0.210 nan 8.190 nan 0.000 0.462 423 D N 0.299 120.684 120.400 -0.026 0.000 2.183 423 D HA -0.129 4.504 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 1.049 55.033 54.000 -0.026 0.000 0.842 423 D CB -0.162 40.624 40.800 -0.024 0.000 0.957 423 D HN 0.402 nan 8.370 nan 0.000 0.484 424 R N -0.129 120.321 120.500 -0.084 0.000 2.081 424 R HA -0.096 4.237 4.340 -0.013 0.000 0.235 424 R C 2.229 178.464 176.300 -0.109 0.000 1.131 424 R CA 0.900 56.914 56.100 -0.143 0.000 0.960 424 R CB -0.248 29.906 30.300 -0.242 0.000 0.856 424 R HN 0.254 nan 8.270 nan 0.000 0.436 425 L N 0.623 121.806 121.223 -0.068 0.000 2.012 425 L HA -0.239 4.093 4.340 -0.013 0.000 0.210 425 L C 2.757 179.632 176.870 0.010 0.000 1.073 425 L CA 2.040 56.859 54.840 -0.035 0.000 0.748 425 L CB -0.536 41.511 42.059 -0.020 0.000 0.891 425 L HN 0.330 nan 8.230 nan 0.000 0.431 426 R N 0.065 120.576 120.500 0.017 0.000 2.092 426 R HA -0.119 4.214 4.340 -0.013 0.000 0.231 426 R C 2.251 178.602 176.300 0.086 0.000 1.119 426 R CA 1.032 57.163 56.100 0.051 0.000 0.970 426 R CB -0.458 29.866 30.300 0.040 0.000 0.864 426 R HN 0.224 nan 8.270 nan 0.000 0.440 427 R N 0.231 120.766 120.500 0.058 0.000 2.092 427 R HA 0.061 4.393 4.340 -0.013 0.000 0.231 427 R C 2.106 178.502 176.300 0.159 0.000 1.119 427 R CA 1.792 57.952 56.100 0.101 0.000 0.970 427 R CB -0.165 30.156 30.300 0.034 0.000 0.864 427 R HN 0.345 nan 8.270 nan 0.000 0.440 428 M N 0.023 119.641 119.600 0.031 0.000 2.509 428 M HA 0.048 4.520 4.480 -0.013 0.000 0.250 428 M C 0.842 177.301 176.300 0.266 0.000 1.132 428 M CA -0.018 55.248 55.300 -0.057 0.000 1.080 428 M CB 0.479 32.879 32.600 -0.334 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 1.143 117.008 115.700 0.274 0.000 2.558 429 S HA 0.052 4.515 4.470 -0.013 0.000 0.291 429 S C 1.168 176.023 174.600 0.425 0.000 1.306 429 S CA -0.235 58.151 58.200 0.309 0.000 1.056 429 S CB 0.558 63.882 63.200 0.207 0.000 0.836 429 S HN 0.363 nan 8.310 nan 0.000 0.504 430 L N 4.151 125.578 121.223 0.339 0.000 2.217 430 L HA 0.087 4.419 4.340 -0.013 0.000 0.211 430 L C 0.404 177.385 176.870 0.185 0.000 1.107 430 L CA 0.366 55.365 54.840 0.265 0.000 0.783 430 L CB -0.458 41.700 42.059 0.165 0.000 0.919 430 L HN 0.407 nan 8.230 nan 0.000 0.442 431 V N 1.033 121.067 119.914 0.199 0.000 2.364 431 V HA 0.141 4.253 4.120 -0.013 0.000 0.272 431 V C 0.161 176.342 176.094 0.145 0.000 1.036 431 V CA -0.513 61.892 62.300 0.175 0.000 0.880 431 V CB 1.225 33.184 31.823 0.227 0.000 0.991 431 V HN 0.182 nan 8.190 nan 0.000 0.460 432 E N 3.144 123.408 120.200 0.107 0.000 2.200 432 E HA 0.341 4.684 4.350 -0.013 0.000 0.283 432 E C -0.532 176.118 176.600 0.082 0.000 1.015 432 E CA -0.519 55.932 56.400 0.086 0.000 0.819 432 E CB 1.747 31.476 29.700 0.049 0.000 1.081 432 E HN 0.616 nan 8.360 nan 0.000 0.397 433 E N 1.366 121.611 120.200 0.075 0.000 2.319 433 E HA 0.571 4.913 4.350 -0.013 0.000 0.268 433 E C -0.049 176.584 176.600 0.056 0.000 1.050 433 E CA 0.181 56.619 56.400 0.065 0.000 0.878 433 E CB 1.340 31.072 29.700 0.054 0.000 1.066 433 E HN 0.632 nan 8.360 nan 0.000 0.406 434 G N 0.713 109.545 108.800 0.054 0.000 2.351 434 G HA2 0.335 4.287 3.960 -0.013 0.000 0.279 434 G HA3 0.335 4.287 3.960 -0.013 0.000 0.279 434 G C 0.219 175.150 174.900 0.051 0.000 1.297 434 G CA 0.105 45.234 45.100 0.048 0.000 0.886 434 G HN 0.576 nan 8.290 nan 0.000 0.493 435 A N -1.052 121.796 122.820 0.048 0.000 1.883 435 A HA 0.334 4.647 4.320 -0.013 0.000 0.217 435 A C 1.524 179.149 177.584 0.067 0.000 1.186 435 A CA 3.090 55.157 52.037 0.049 0.000 0.624 435 A CB -1.057 17.969 19.000 0.043 0.000 0.822 435 A HN 2.170 nan 8.150 nan 0.000 0.444 436 V N -2.572 117.392 119.914 0.083 0.000 2.417 436 V HA 0.490 4.603 4.120 -0.013 0.000 0.291 436 V C -0.540 175.622 176.094 0.114 0.000 1.024 436 V CA -1.429 60.944 62.300 0.122 0.000 0.861 436 V CB 1.365 33.284 31.823 0.160 0.000 0.985 436 V HN 0.262 nan 8.190 nan 0.000 0.436 437 K N 4.265 124.742 120.400 0.128 0.000 2.350 437 K HA 0.498 4.811 4.320 -0.013 0.000 0.279 437 K C -0.358 176.309 176.600 0.112 0.000 1.027 437 K CA -0.181 56.177 56.287 0.119 0.000 0.969 437 K CB 1.025 33.608 32.500 0.139 0.000 0.954 437 K HN 0.728 nan 8.250 nan 0.000 0.474 438 R N 1.684 122.237 120.500 0.088 0.000 2.854 438 R HA 0.479 4.811 4.340 -0.013 0.000 0.271 438 R C -0.497 175.838 176.300 0.058 0.000 0.994 438 R CA -1.016 55.124 56.100 0.066 0.000 0.945 438 R CB 1.348 31.665 30.300 0.029 0.000 1.194 438 R HN 0.380 nan 8.270 nan 0.000 0.476 439 I N 2.007 122.607 120.570 0.051 0.000 2.321 439 I HA 0.146 4.308 4.170 -0.013 0.000 0.291 439 I C -0.092 176.006 176.117 -0.031 0.000 0.998 439 I CA -0.710 60.608 61.300 0.031 0.000 1.227 439 I CB 1.063 39.082 38.000 0.031 0.000 1.368 439 I HN 0.501 nan 8.210 nan 0.000 0.466 440 N N 7.106 125.762 118.700 -0.074 0.000 2.402 440 N HA 0.091 4.824 4.740 -0.013 0.000 0.252 440 N C 0.782 176.195 175.510 -0.161 0.000 1.118 440 N CA -0.306 52.621 53.050 -0.205 0.000 0.945 440 N CB 0.963 39.191 38.487 -0.431 0.000 1.147 440 N HN 0.374 nan 8.380 nan 0.000 0.495 441 M N 2.464 121.969 119.600 -0.159 0.000 2.296 441 M HA -0.034 4.439 4.480 -0.013 0.000 0.265 441 M C 1.904 178.069 176.300 -0.226 0.000 1.064 441 M CA 0.636 55.861 55.300 -0.125 0.000 1.109 441 M CB -1.545 31.026 32.600 -0.048 0.000 1.396 441 M HN 0.608 nan 8.290 nan 0.000 0.430 442 A N -0.500 122.184 122.820 -0.227 0.000 1.930 442 A HA -0.169 4.144 4.320 -0.013 0.000 0.217 442 A C 1.996 179.369 177.584 -0.351 0.000 1.175 442 A CA 1.438 53.308 52.037 -0.279 0.000 0.627 442 A CB -1.086 17.951 19.000 0.062 0.000 0.815 442 A HN 0.594 nan 8.150 nan 0.000 0.443 443 H N -1.120 117.748 119.070 -0.337 0.000 2.389 443 H HA -0.000 4.548 4.556 -0.013 0.000 0.299 443 H C 2.120 177.233 175.328 -0.358 0.000 1.081 443 H CA 0.875 56.690 56.048 -0.388 0.000 1.345 443 H CB -0.039 29.703 29.762 -0.033 0.000 1.393 443 H HN 0.363 nan 8.280 nan 0.000 0.520 444 L N 0.436 121.582 121.223 -0.128 0.000 2.012 444 L HA -0.237 4.095 4.340 -0.013 0.000 0.210 444 L C 2.273 179.007 176.870 -0.225 0.000 1.073 444 L CA 1.344 56.103 54.840 -0.135 0.000 0.748 444 L CB -0.416 41.591 42.059 -0.087 0.000 0.891 444 L HN 0.449 nan 8.230 nan 0.000 0.431 445 C N 0.004 119.069 119.300 -0.392 0.000 2.429 445 C HA -0.181 4.272 4.460 -0.013 0.000 0.277 445 C C 2.661 177.388 174.990 -0.437 0.000 1.262 445 C CA 0.656 59.355 59.018 -0.531 0.000 1.733 445 C CB -0.769 26.265 27.740 -1.176 0.000 2.010 445 C HN 0.511 nan 8.230 nan 0.000 0.483 446 I N 1.394 121.660 120.570 -0.505 0.000 2.202 446 I HA -0.185 3.978 4.170 -0.013 0.000 0.242 446 I C 2.774 178.743 176.117 -0.247 0.000 1.091 446 I CA 1.620 62.667 61.300 -0.421 0.000 1.368 446 I CB -0.625 36.976 38.000 -0.665 0.000 1.058 446 I HN 0.253 nan 8.210 nan 0.000 0.410 447 A N 0.644 123.287 122.820 -0.295 0.000 1.940 447 A HA -0.143 4.169 4.320 -0.013 0.000 0.219 447 A C 2.233 179.865 177.584 0.080 0.000 1.176 447 A CA 2.043 53.947 52.037 -0.222 0.000 0.631 447 A CB -1.240 17.422 19.000 -0.564 0.000 0.814 447 A HN 0.496 nan 8.150 nan 0.000 0.446 448 G N -1.402 107.381 108.800 -0.029 0.000 3.189 448 G HA2 0.411 4.364 3.960 -0.013 0.000 0.225 448 G HA3 0.411 4.364 3.960 -0.013 0.000 0.225 448 G C 0.143 174.881 174.900 -0.270 0.000 1.159 448 G CA 0.540 45.510 45.100 -0.216 0.000 0.763 448 G HN 0.364 nan 8.290 nan 0.000 0.549 449 S N -0.255 115.342 115.700 -0.172 0.000 2.536 449 S HA 0.321 4.783 4.470 -0.013 0.000 0.298 449 S C 0.759 175.306 174.600 -0.088 0.000 1.083 449 S CA -0.698 57.426 58.200 -0.125 0.000 0.995 449 S CB 1.300 64.430 63.200 -0.118 0.000 1.058 449 S HN 0.496 nan 8.310 nan 0.000 0.488 450 H N -0.015 119.013 119.070 -0.071 0.000 2.548 450 H HA 0.460 5.008 4.556 -0.013 0.000 0.268 450 H C 0.134 175.446 175.328 -0.027 0.000 0.975 450 H CA 0.314 56.349 56.048 -0.023 0.000 1.195 450 H CB 0.133 29.895 29.762 0.000 0.000 1.397 450 H HN 0.511 nan 8.280 nan 0.000 0.572 451 A N 1.065 123.562 122.820 -0.539 0.000 2.455 451 A HA 0.560 4.872 4.320 -0.013 0.000 0.300 451 A C -1.372 176.006 177.584 -0.343 0.000 1.040 451 A CA -0.584 51.196 52.037 -0.428 0.000 0.697 451 A CB 2.248 20.953 19.000 -0.493 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.242 123.922 119.914 -0.391 0.000 2.483 452 V HA 0.515 4.627 4.120 -0.013 0.000 0.297 452 V C -0.779 175.126 176.094 -0.315 0.000 1.027 452 V CA -0.798 61.264 62.300 -0.396 0.000 0.855 452 V CB 1.772 33.205 31.823 -0.651 0.000 0.995 452 V HN 1.001 nan 8.190 nan 0.000 0.424 453 N N 3.251 121.785 118.700 -0.277 0.000 2.238 453 N HA 0.597 5.329 4.740 -0.013 0.000 0.302 453 N C -0.210 175.196 175.510 -0.174 0.000 1.072 453 N CA -0.355 52.576 53.050 -0.199 0.000 0.792 453 N CB 2.856 41.204 38.487 -0.230 0.000 1.425 453 N HN 0.630 nan 8.380 nan 0.000 0.478 454 G N -0.624 108.111 108.800 -0.108 0.000 2.535 454 G HA2 0.413 4.365 3.960 -0.013 0.000 0.303 454 G HA3 0.413 4.365 3.960 -0.013 0.000 0.303 454 G C 0.775 175.731 174.900 0.094 0.000 1.237 454 G CA -0.460 44.632 45.100 -0.014 0.000 0.986 454 G HN 0.634 nan 8.290 nan 0.000 0.494 455 V N -3.804 116.281 119.914 0.285 0.000 3.427 455 V HA 0.699 4.811 4.120 -0.013 0.000 0.305 455 V C 0.559 176.725 176.094 0.119 0.000 1.412 455 V CA 0.404 62.776 62.300 0.119 0.000 1.086 455 V CB -0.753 31.078 31.823 0.013 0.000 0.964 455 V HN 1.335 nan 8.190 nan 0.000 0.439 456 A N -0.088 122.817 122.820 0.142 0.000 2.605 456 A HA 0.641 4.954 4.320 -0.013 0.000 0.294 456 A C 0.682 178.315 177.584 0.081 0.000 1.062 456 A CA -0.111 51.989 52.037 0.104 0.000 0.682 456 A CB 1.181 20.233 19.000 0.086 0.000 1.278 456 A HN 0.011 nan 8.150 nan 0.000 0.410 457 R N 0.633 121.161 120.500 0.046 0.000 2.096 457 R HA -0.162 4.170 4.340 -0.013 0.000 0.240 457 R C 1.696 177.996 176.300 -0.000 0.000 1.139 457 R CA 2.303 58.408 56.100 0.009 0.000 0.952 457 R CB -0.252 30.048 30.300 0.001 0.000 0.854 457 R HN 0.816 nan 8.270 nan 0.000 0.436 458 I N 0.210 120.789 120.570 0.015 0.000 2.286 458 I HA -0.296 3.866 4.170 -0.013 0.000 0.248 458 I C 2.339 178.470 176.117 0.023 0.000 1.115 458 I CA 1.835 63.137 61.300 0.004 0.000 1.392 458 I CB -0.218 37.783 38.000 0.001 0.000 1.065 458 I HN 0.336 nan 8.210 nan 0.000 0.418 459 H N 0.294 119.339 119.070 -0.043 0.000 2.326 459 H HA -0.113 4.435 4.556 -0.013 0.000 0.301 459 H C 2.272 177.572 175.328 -0.046 0.000 1.081 459 H CA 2.186 58.206 56.048 -0.047 0.000 1.334 459 H CB -0.287 29.451 29.762 -0.040 0.000 1.385 459 H HN 0.248 nan 8.280 nan 0.000 0.504 460 S N 0.423 116.012 115.700 -0.185 0.000 2.399 460 S HA -0.123 4.339 4.470 -0.013 0.000 0.231 460 S C 1.886 176.373 174.600 -0.188 0.000 1.022 460 S CA 1.185 59.256 58.200 -0.215 0.000 0.983 460 S CB -0.062 63.078 63.200 -0.100 0.000 0.803 460 S HN 0.482 nan 8.310 nan 0.000 0.480 461 E N 1.221 121.331 120.200 -0.149 0.000 2.072 461 E HA -0.002 4.340 4.350 -0.013 0.000 0.191 461 E C 2.035 178.528 176.600 -0.179 0.000 0.985 461 E CA 0.642 56.944 56.400 -0.163 0.000 0.801 461 E CB -0.395 29.238 29.700 -0.111 0.000 0.750 461 E HN 0.501 nan 8.360 nan 0.000 0.452 462 I N 1.054 121.535 120.570 -0.149 0.000 2.264 462 I HA -0.287 3.875 4.170 -0.013 0.000 0.248 462 I C 2.413 178.417 176.117 -0.189 0.000 1.111 462 I CA 0.851 62.068 61.300 -0.139 0.000 1.382 462 I CB -0.245 37.706 38.000 -0.081 0.000 1.060 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.337 121.417 121.223 -0.239 0.000 2.042 463 L HA -0.238 4.094 4.340 -0.013 0.000 0.210 463 L C 2.469 179.240 176.870 -0.165 0.000 1.076 463 L CA 1.598 56.322 54.840 -0.194 0.000 0.749 463 L CB -0.584 41.435 42.059 -0.066 0.000 0.893 463 L HN 0.215 nan 8.230 nan 0.000 0.432 464 K N -0.213 120.006 120.400 -0.301 0.000 2.228 464 K HA -0.083 4.229 4.320 -0.013 0.000 0.202 464 K C 1.990 178.384 176.600 -0.343 0.000 1.051 464 K CA 0.791 56.752 56.287 -0.544 0.000 0.960 464 K CB 0.107 32.030 32.500 -0.962 0.000 0.743 464 K HN 0.290 nan 8.250 nan 0.000 0.458 465 K N -0.017 120.243 120.400 -0.232 0.000 2.284 465 K HA -0.009 4.304 4.320 -0.013 0.000 0.198 465 K C 1.939 178.484 176.600 -0.093 0.000 1.048 465 K CA 1.311 57.513 56.287 -0.141 0.000 0.987 465 K CB 0.545 32.971 32.500 -0.123 0.000 0.800 465 K HN 0.239 nan 8.250 nan 0.000 0.486 466 T N -0.977 113.513 114.554 -0.107 0.000 3.330 466 T HA 0.056 4.398 4.350 -0.013 0.000 0.185 466 T C 1.994 176.642 174.700 -0.086 0.000 0.874 466 T CA 0.009 62.057 62.100 -0.087 0.000 1.268 466 T CB -0.774 68.038 68.868 -0.093 0.000 1.866 466 T HN 0.112 nan 8.240 nan 0.000 0.395 467 I N -0.965 119.491 120.570 -0.190 0.000 2.361 467 I HA 0.223 4.385 4.170 -0.013 0.000 0.251 467 I C 1.398 177.437 176.117 -0.130 0.000 1.133 467 I CA 1.326 62.470 61.300 -0.261 0.000 1.413 467 I CB -0.588 37.111 38.000 -0.501 0.000 1.073 467 I HN 0.259 nan 8.210 nan 0.000 0.424 468 F N 0.892 120.915 119.950 0.123 0.000 2.708 468 F HA 0.340 4.860 4.527 -0.013 0.000 0.300 468 F C 2.000 177.891 175.800 0.152 0.000 1.118 468 F CA -0.638 57.505 58.000 0.237 0.000 1.307 468 F CB 0.133 39.281 39.000 0.246 0.000 0.986 468 F HN -0.081 nan 8.300 nan 0.000 0.522 469 K N 1.089 121.601 120.400 0.186 0.000 2.044 469 K HA -0.226 4.086 4.320 -0.013 0.000 0.210 469 K C 1.338 177.997 176.600 0.099 0.000 1.049 469 K CA 2.283 58.623 56.287 0.088 0.000 0.927 469 K CB -0.029 32.487 32.500 0.026 0.000 0.713 469 K HN 0.151 nan 8.250 nan 0.000 0.443 470 D N -0.121 120.320 120.400 0.068 0.000 2.123 470 D HA -0.161 4.471 4.640 -0.013 0.000 0.196 470 D C 1.826 178.053 176.300 -0.122 0.000 0.992 470 D CA 1.277 55.192 54.000 -0.142 0.000 0.833 470 D CB -0.317 40.305 40.800 -0.296 0.000 0.954 470 D HN 0.260 nan 8.370 nan 0.000 0.455 471 F N -0.193 119.840 119.950 0.138 0.000 2.186 471 F HA -0.140 4.379 4.527 -0.013 0.000 0.299 471 F C 2.356 178.306 175.800 0.251 0.000 1.090 471 F CA 0.517 58.678 58.000 0.269 0.000 1.307 471 F CB -0.658 38.578 39.000 0.393 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.357 121.635 120.300 -0.037 0.000 2.224 472 Y HA -0.199 4.344 4.550 -0.012 0.000 0.289 472 Y C 2.121 178.002 175.900 -0.032 0.000 1.146 472 Y CA 1.631 59.515 58.100 -0.359 0.000 1.182 472 Y CB -0.585 37.471 38.460 -0.674 0.000 0.983 472 Y HN 0.129 nan 8.280 nan 0.000 0.524 473 E N -0.398 119.760 120.200 -0.071 0.000 2.106 473 E HA -0.197 4.146 4.350 -0.013 0.000 0.192 473 E C 1.995 178.656 176.600 0.102 0.000 0.984 473 E CA 1.218 57.591 56.400 -0.045 0.000 0.806 473 E CB -0.274 29.436 29.700 0.017 0.000 0.750 473 E HN 0.432 nan 8.360 nan 0.000 0.458 474 L N 0.975 122.297 121.223 0.165 0.000 2.044 474 L HA -0.055 4.277 4.340 -0.013 0.000 0.205 474 L C 0.210 177.169 176.870 0.148 0.000 1.075 474 L CA 1.714 56.684 54.840 0.217 0.000 0.747 474 L CB 0.339 42.516 42.059 0.196 0.000 0.903 474 L HN -0.098 nan 8.230 nan 0.000 0.435 475 E N -0.117 120.170 120.200 0.146 0.000 3.132 475 E HA 0.188 4.531 4.350 -0.013 0.000 0.241 475 E C -2.015 174.542 176.600 -0.072 0.000 1.196 475 E CA -1.258 55.156 56.400 0.023 0.000 0.869 475 E CB 0.868 30.579 29.700 0.018 0.000 1.387 475 E HN 0.200 nan 8.360 nan 0.000 0.393 476 P HA -0.231 nan 4.420 nan 0.000 0.218 476 P C 1.211 178.598 177.300 0.145 0.000 1.149 476 P CA 1.314 64.310 63.100 -0.174 0.000 0.817 476 P CB -0.043 31.423 31.700 -0.391 0.000 0.785 477 H N 0.140 119.307 119.070 0.163 0.000 2.489 477 H HA 0.016 4.564 4.556 -0.013 0.000 0.293 477 H C 1.718 177.137 175.328 0.150 0.000 1.066 477 H CA 0.950 57.085 56.048 0.145 0.000 1.305 477 H CB -0.612 29.207 29.762 0.095 0.000 1.386 477 H HN 0.159 nan 8.280 nan 0.000 0.551 478 K N 0.254 120.531 120.400 -0.205 0.000 2.228 478 K HA 0.030 4.342 4.320 -0.013 0.000 0.202 478 K C -0.240 176.223 176.600 -0.229 0.000 1.051 478 K CA 0.080 56.234 56.287 -0.222 0.000 0.960 478 K CB 0.143 32.401 32.500 -0.404 0.000 0.743 478 K HN 0.052 nan 8.250 nan 0.000 0.458 479 F N 1.547 121.517 119.950 0.032 0.000 2.411 479 F HA 0.244 4.763 4.527 -0.013 0.000 0.350 479 F C 0.266 176.068 175.800 0.004 0.000 1.114 479 F CA -0.305 57.721 58.000 0.044 0.000 1.135 479 F CB 1.283 40.370 39.000 0.146 0.000 1.120 479 F HN -0.069 nan 8.300 nan 0.000 0.495 480 Q N 1.814 121.645 119.800 0.051 0.000 2.528 480 Q HA 0.337 4.669 4.340 -0.013 0.000 0.289 480 Q C -1.180 174.782 176.000 -0.064 0.000 1.091 480 Q CA -1.240 54.546 55.803 -0.028 0.000 0.797 480 Q CB 3.143 31.810 28.738 -0.120 0.000 1.466 480 Q HN 0.611 nan 8.270 nan 0.000 0.436 481 N N 0.859 119.505 118.700 -0.090 0.000 2.321 481 N HA 0.259 4.991 4.740 -0.013 0.000 0.299 481 N C -1.405 174.007 175.510 -0.163 0.000 1.048 481 N CA -0.377 52.614 53.050 -0.098 0.000 0.836 481 N CB 0.932 39.383 38.487 -0.060 0.000 1.269 481 N HN 0.277 nan 8.380 nan 0.000 0.486 482 K N 2.806 123.108 120.400 -0.164 0.000 2.675 482 K HA 0.187 4.499 4.320 -0.013 0.000 0.224 482 K C -0.908 175.692 176.600 -0.001 0.000 1.003 482 K CA -0.502 55.664 56.287 -0.201 0.000 1.034 482 K CB 1.277 33.434 32.500 -0.572 0.000 1.218 482 K HN 0.534 nan 8.250 nan 0.000 0.507 483 T N 2.137 116.711 114.554 0.034 0.000 2.902 483 T HA 0.045 4.388 4.350 -0.013 0.000 0.301 483 T C 0.796 175.618 174.700 0.204 0.000 1.012 483 T CA 0.341 62.512 62.100 0.119 0.000 1.151 483 T CB 0.259 69.201 68.868 0.124 0.000 0.946 483 T HN 0.363 nan 8.240 nan 0.000 0.542 484 N N 0.647 119.486 118.700 0.232 0.000 2.267 484 N HA 0.384 5.116 4.740 -0.013 0.000 0.226 484 N C 0.473 176.166 175.510 0.305 0.000 1.314 484 N CA -0.104 53.115 53.050 0.282 0.000 0.887 484 N CB 0.375 38.968 38.487 0.177 0.000 1.120 484 N HN 0.765 nan 8.380 nan 0.000 0.440 485 G N -0.586 108.404 108.800 0.317 0.000 2.682 485 G HA2 0.603 4.556 3.960 -0.013 0.000 0.290 485 G HA3 0.603 4.556 3.960 -0.013 0.000 0.290 485 G C -1.412 173.624 174.900 0.227 0.000 1.425 485 G CA -0.739 44.535 45.100 0.290 0.000 0.807 485 G HN 0.601 nan 8.290 nan 0.000 0.482 486 I N -2.350 118.339 120.570 0.199 0.000 2.828 486 I HA 0.746 4.908 4.170 -0.013 0.000 0.302 486 I C -0.206 176.071 176.117 0.266 0.000 1.101 486 I CA -0.952 60.460 61.300 0.188 0.000 1.031 486 I CB 2.470 40.469 38.000 -0.000 0.000 1.231 486 I HN 0.479 nan 8.210 nan 0.000 0.427 487 T N 4.376 119.141 114.554 0.353 0.000 2.814 487 T HA 0.355 4.697 4.350 -0.013 0.000 0.297 487 T C -1.458 173.363 174.700 0.203 0.000 0.956 487 T CA -1.558 60.674 62.100 0.221 0.000 1.123 487 T CB 0.723 69.668 68.868 0.128 0.000 0.902 487 T HN 0.632 nan 8.240 nan 0.000 0.528 488 P HA 0.076 nan 4.420 nan 0.000 0.237 488 P C 1.062 178.332 177.300 -0.050 0.000 1.178 488 P CA 0.243 63.383 63.100 0.067 0.000 0.766 488 P CB 0.357 32.083 31.700 0.043 0.000 0.876 489 R N 0.475 120.900 120.500 -0.125 0.000 2.056 489 R HA 0.012 4.344 4.340 -0.013 0.000 0.227 489 R C 2.670 178.854 176.300 -0.193 0.000 1.149 489 R CA 1.537 57.523 56.100 -0.191 0.000 0.937 489 R CB -1.186 29.005 30.300 -0.181 0.000 0.835 489 R HN 0.036 nan 8.270 nan 0.000 0.430 490 R N -0.821 119.508 120.500 -0.286 0.000 2.081 490 R HA -0.127 4.205 4.340 -0.013 0.000 0.235 490 R C 1.012 176.962 176.300 -0.584 0.000 1.131 490 R CA 1.708 57.475 56.100 -0.555 0.000 0.960 490 R CB -0.144 29.622 30.300 -0.890 0.000 0.856 490 R HN 0.304 nan 8.270 nan 0.000 0.436 491 W N -0.536 120.722 121.300 -0.070 0.000 3.316 491 W HA 0.181 4.833 4.660 -0.013 0.000 0.327 491 W C 0.927 177.415 176.519 -0.051 0.000 1.232 491 W CA -0.725 56.577 57.345 -0.072 0.000 1.805 491 W CB 0.475 29.896 29.460 -0.064 0.000 1.090 491 W HN 0.207 nan 8.180 nan 0.000 0.654 492 L N -2.123 119.156 121.223 0.094 0.000 2.511 492 L HA 0.195 4.527 4.340 -0.013 0.000 0.173 492 L C 1.770 178.655 176.870 0.025 0.000 1.160 492 L CA 0.809 55.697 54.840 0.080 0.000 0.964 492 L CB -0.815 41.318 42.059 0.124 0.000 1.892 492 L HN -0.241 nan 8.230 nan 0.000 0.497 493 V N 0.996 120.902 119.914 -0.014 0.000 2.295 493 V HA -0.262 3.851 4.120 -0.013 0.000 0.246 493 V C 2.434 178.500 176.094 -0.046 0.000 1.049 493 V CA 2.415 64.698 62.300 -0.028 0.000 1.024 493 V CB -0.686 31.093 31.823 -0.074 0.000 0.648 493 V HN 0.499 nan 8.190 nan 0.000 0.447 494 L N 0.538 121.704 121.223 -0.095 0.000 2.005 494 L HA -0.198 4.135 4.340 -0.013 0.000 0.207 494 L C 2.529 179.335 176.870 -0.108 0.000 1.072 494 L CA 2.480 57.247 54.840 -0.121 0.000 0.744 494 L CB -0.295 41.644 42.059 -0.201 0.000 0.895 494 L HN 0.659 nan 8.230 nan 0.000 0.433 495 C N -1.777 117.453 119.300 -0.117 0.000 2.533 495 C HA 0.179 4.632 4.460 -0.013 0.000 0.272 495 C C 1.236 176.207 174.990 -0.032 0.000 1.371 495 C CA -0.233 58.733 59.018 -0.085 0.000 1.758 495 C CB -1.013 26.675 27.740 -0.086 0.000 1.972 495 C HN 0.595 nan 8.230 nan 0.000 0.522 496 N N 1.204 119.897 118.700 -0.013 0.000 2.733 496 N HA 0.297 5.030 4.740 -0.013 0.000 0.271 496 N C -1.756 173.763 175.510 0.015 0.000 1.720 496 N CA -1.682 51.372 53.050 0.007 0.000 0.803 496 N CB 0.751 39.250 38.487 0.021 0.000 1.208 496 N HN 0.253 nan 8.380 nan 0.000 0.498 497 P HA -0.044 nan 4.420 nan 0.000 0.217 497 P C 1.427 178.741 177.300 0.023 0.000 1.150 497 P CA 0.913 64.022 63.100 0.015 0.000 0.832 497 P CB 0.202 31.904 31.700 0.003 0.000 0.787 498 G N 0.591 109.400 108.800 0.014 0.000 2.469 498 G HA2 -0.258 3.695 3.960 -0.013 0.000 0.219 498 G HA3 -0.258 3.695 3.960 -0.013 0.000 0.219 498 G C 1.517 176.425 174.900 0.012 0.000 1.150 498 G CA 0.764 45.870 45.100 0.010 0.000 0.763 498 G HN 0.263 nan 8.290 nan 0.000 0.561 499 L N 1.060 122.293 121.223 0.016 0.000 2.095 499 L HA 0.361 4.693 4.340 -0.013 0.000 0.204 499 L C 3.035 179.936 176.870 0.051 0.000 1.080 499 L CA 1.841 56.690 54.840 0.015 0.000 0.759 499 L CB -0.710 41.356 42.059 0.012 0.000 0.914 499 L HN 0.214 nan 8.230 nan 0.000 0.439 500 A N -0.666 122.206 122.820 0.086 0.000 1.940 500 A HA -0.258 4.054 4.320 -0.013 0.000 0.219 500 A C 2.239 179.922 177.584 0.164 0.000 1.176 500 A CA 1.881 54.021 52.037 0.172 0.000 0.631 500 A CB -0.614 18.477 19.000 0.152 0.000 0.814 500 A HN 0.549 nan 8.150 nan 0.000 0.446 501 E N 0.579 120.835 120.200 0.093 0.000 2.046 501 E HA -0.129 4.213 4.350 -0.013 0.000 0.190 501 E C 1.842 178.481 176.600 0.065 0.000 0.982 501 E CA 1.437 57.882 56.400 0.075 0.000 0.800 501 E CB -0.502 29.224 29.700 0.044 0.000 0.756 501 E HN 0.731 nan 8.360 nan 0.000 0.449 502 I N -1.578 119.025 120.570 0.056 0.000 2.454 502 I HA -0.136 4.026 4.170 -0.013 0.000 0.254 502 I C 2.085 178.272 176.117 0.116 0.000 1.156 502 I CA 1.111 62.458 61.300 0.079 0.000 1.433 502 I CB -0.331 37.701 38.000 0.054 0.000 1.082 502 I HN 0.025 nan 8.210 nan 0.000 0.432 503 I N 1.911 122.522 120.570 0.069 0.000 2.233 503 I HA -0.169 3.994 4.170 -0.013 0.000 0.243 503 I C 2.997 179.058 176.117 -0.092 0.000 1.093 503 I CA 1.293 62.552 61.300 -0.069 0.000 1.380 503 I CB -0.472 37.367 38.000 -0.269 0.000 1.067 503 I HN 0.291 nan 8.210 nan 0.000 0.413 504 A N 0.388 123.251 122.820 0.071 0.000 1.972 504 A HA -0.223 4.090 4.320 -0.013 0.000 0.219 504 A C 2.168 179.780 177.584 0.047 0.000 1.169 504 A CA 1.576 53.704 52.037 0.153 0.000 0.635 504 A CB -0.587 18.532 19.000 0.199 0.000 0.810 504 A HN 0.444 nan 8.150 nan 0.000 0.446 505 E N -0.698 119.510 120.200 0.013 0.000 2.118 505 E HA -0.208 4.134 4.350 -0.013 0.000 0.195 505 E C 2.227 178.788 176.600 -0.066 0.000 0.992 505 E CA 1.131 57.524 56.400 -0.012 0.000 0.804 505 E CB -0.064 29.635 29.700 -0.002 0.000 0.741 505 E HN 0.432 nan 8.360 nan 0.000 0.458 506 R N 0.155 120.555 120.500 -0.168 0.000 2.075 506 R HA 0.063 4.395 4.340 -0.013 0.000 0.220 506 R C 2.358 178.569 176.300 -0.148 0.000 1.118 506 R CA 0.915 56.838 56.100 -0.295 0.000 0.986 506 R CB -0.384 29.403 30.300 -0.854 0.000 0.884 506 R HN 0.334 nan 8.270 nan 0.000 0.439 507 I N -3.113 117.384 120.570 -0.121 0.000 4.154 507 I HA 0.444 4.606 4.170 -0.013 0.000 0.334 507 I C 0.488 176.640 176.117 0.058 0.000 1.371 507 I CA 0.142 61.425 61.300 -0.027 0.000 1.110 507 I CB 0.751 38.717 38.000 -0.056 0.000 1.085 507 I HN 0.184 nan 8.210 nan 0.000 0.398 508 G N 2.075 110.921 108.800 0.077 0.000 2.660 508 G HA2 -0.222 3.730 3.960 -0.013 0.000 0.215 508 G HA3 -0.222 3.730 3.960 -0.013 0.000 0.215 508 G C -0.031 174.996 174.900 0.211 0.000 1.345 508 G CA 0.204 45.371 45.100 0.112 0.000 0.877 508 G HN 0.428 nan 8.290 nan 0.000 0.549 509 E N -0.095 120.180 120.200 0.126 0.000 2.476 509 E HA 0.113 4.456 4.350 -0.013 0.000 0.199 509 E C 1.959 178.509 176.600 -0.084 0.000 1.021 509 E CA 0.301 56.718 56.400 0.028 0.000 0.907 509 E CB 0.298 30.007 29.700 0.014 0.000 0.974 509 E HN 0.631 nan 8.360 nan 0.000 0.489 510 E N 0.345 120.566 120.200 0.035 0.000 2.265 510 E HA -0.205 4.137 4.350 -0.013 0.000 0.196 510 E C 1.636 178.229 176.600 -0.012 0.000 0.996 510 E CA 0.997 57.409 56.400 0.020 0.000 0.832 510 E CB -0.165 29.570 29.700 0.058 0.000 0.756 510 E HN 0.488 nan 8.360 nan 0.000 0.491 511 Y N -0.485 119.818 120.300 0.003 0.000 2.333 511 Y HA -0.082 4.462 4.550 -0.011 0.000 0.290 511 Y C 1.808 177.683 175.900 -0.041 0.000 1.144 511 Y CA 0.573 58.666 58.100 -0.010 0.000 1.228 511 Y CB -0.573 37.885 38.460 -0.005 0.000 0.985 511 Y HN -0.074 nan 8.280 nan 0.000 0.542 512 I N 0.981 121.071 120.570 -0.800 0.000 2.335 512 I HA -0.248 3.914 4.170 -0.013 0.000 0.251 512 I C 1.751 177.610 176.117 -0.430 0.000 1.129 512 I CA 1.875 62.755 61.300 -0.700 0.000 1.402 512 I CB -0.393 37.099 38.000 -0.846 0.000 1.069 512 I HN 0.475 nan 8.210 nan 0.000 0.424 513 S N -2.066 113.485 115.700 -0.248 0.000 2.663 513 S HA 0.177 4.639 4.470 -0.013 0.000 0.243 513 S C 0.155 174.738 174.600 -0.029 0.000 1.009 513 S CA -0.469 57.667 58.200 -0.106 0.000 0.988 513 S CB 0.312 63.519 63.200 0.012 0.000 0.896 513 S HN 0.288 nan 8.310 nan 0.000 0.502 514 D N 0.657 121.049 120.400 -0.014 0.000 2.823 514 D HA 0.239 4.872 4.640 -0.013 0.000 0.255 514 D C 0.317 176.658 176.300 0.068 0.000 1.257 514 D CA -0.366 53.650 54.000 0.027 0.000 0.803 514 D CB 0.377 41.197 40.800 0.034 0.000 1.384 514 D HN 0.094 nan 8.370 nan 0.000 0.541 515 L N 1.134 122.398 121.223 0.069 0.000 2.353 515 L HA -0.003 4.329 4.340 -0.013 0.000 0.220 515 L C 1.419 178.341 176.870 0.088 0.000 1.133 515 L CA 1.491 56.401 54.840 0.118 0.000 0.798 515 L CB -0.062 42.061 42.059 0.105 0.000 0.922 515 L HN 0.262 nan 8.230 nan 0.000 0.445 516 D N -0.725 119.703 120.400 0.047 0.000 2.265 516 D HA -0.208 4.424 4.640 -0.013 0.000 0.208 516 D C 1.894 178.215 176.300 0.036 0.000 0.977 516 D CA 0.787 54.801 54.000 0.023 0.000 0.871 516 D CB 0.073 40.874 40.800 0.002 0.000 0.925 516 D HN 0.557 nan 8.370 nan 0.000 0.485 517 Q N -0.070 119.769 119.800 0.065 0.000 2.364 517 Q HA -0.025 4.308 4.340 -0.013 0.000 0.207 517 Q C 2.280 178.299 176.000 0.032 0.000 0.970 517 Q CA 0.204 56.046 55.803 0.065 0.000 0.888 517 Q CB 0.068 28.873 28.738 0.112 0.000 0.951 517 Q HN 0.389 nan 8.270 nan 0.000 0.469 518 L N 0.182 121.417 121.223 0.021 0.000 2.261 518 L HA -0.196 4.137 4.340 -0.013 0.000 0.216 518 L C 2.289 179.155 176.870 -0.008 0.000 1.114 518 L CA 0.910 55.728 54.840 -0.037 0.000 0.777 518 L CB -0.374 41.675 42.059 -0.017 0.000 0.910 518 L HN 0.210 nan 8.230 nan 0.000 0.440 519 R N 0.396 120.903 120.500 0.011 0.000 2.127 519 R HA -0.184 4.148 4.340 -0.013 0.000 0.238 519 R C 2.118 178.426 176.300 0.013 0.000 1.134 519 R CA 1.130 57.239 56.100 0.014 0.000 0.975 519 R CB -0.217 30.088 30.300 0.008 0.000 0.865 519 R HN 0.399 nan 8.270 nan 0.000 0.447 520 K N 0.576 120.984 120.400 0.013 0.000 2.281 520 K HA -0.127 4.185 4.320 -0.013 0.000 0.203 520 K C 1.830 178.475 176.600 0.074 0.000 1.046 520 K CA 0.945 57.250 56.287 0.029 0.000 0.938 520 K CB -0.109 32.412 32.500 0.036 0.000 0.737 520 K HN 0.224 nan 8.250 nan 0.000 0.458 521 L N 0.448 121.697 121.223 0.043 0.000 2.465 521 L HA -0.124 4.209 4.340 -0.013 0.000 0.224 521 L C 1.791 178.728 176.870 0.112 0.000 1.145 521 L CA 0.009 54.890 54.840 0.067 0.000 0.834 521 L CB -0.237 41.814 42.059 -0.013 0.000 0.944 521 L HN 0.116 nan 8.230 nan 0.000 0.451 522 L N 0.104 121.362 121.223 0.058 0.000 2.191 522 L HA -0.178 4.154 4.340 -0.013 0.000 0.212 522 L C 2.678 179.538 176.870 -0.015 0.000 1.103 522 L CA 1.862 56.722 54.840 0.033 0.000 0.769 522 L CB -0.908 41.158 42.059 0.012 0.000 0.908 522 L HN 0.358 nan 8.230 nan 0.000 0.438 523 S N -2.721 112.924 115.700 -0.091 0.000 2.607 523 S HA -0.074 4.389 4.470 -0.013 0.000 0.224 523 S C 1.194 175.516 174.600 -0.463 0.000 0.969 523 S CA 0.259 58.297 58.200 -0.270 0.000 0.927 523 S CB -0.533 62.455 63.200 -0.354 0.000 0.772 523 S HN 0.466 nan 8.310 nan 0.000 0.533 524 Y N -0.575 119.660 120.300 -0.108 0.000 2.500 524 Y HA 0.429 4.977 4.550 -0.004 0.000 0.246 524 Y C 1.915 177.855 175.900 0.066 0.000 1.146 524 Y CA -0.575 57.458 58.100 -0.112 0.000 1.230 524 Y CB 0.212 38.391 38.460 -0.470 0.000 1.214 524 Y HN 0.255 nan 8.280 nan 0.000 0.526 525 V N 0.417 120.424 119.914 0.154 0.000 2.720 525 V HA -0.207 3.906 4.120 -0.013 0.000 0.256 525 V C 0.983 177.145 176.094 0.113 0.000 1.082 525 V CA 2.224 64.614 62.300 0.149 0.000 1.101 525 V CB -0.011 31.862 31.823 0.084 0.000 0.693 525 V HN 0.354 nan 8.190 nan 0.000 0.479 526 D N -0.837 119.609 120.400 0.077 0.000 2.398 526 D HA 0.103 4.736 4.640 -0.013 0.000 0.210 526 D C 0.383 176.727 176.300 0.074 0.000 1.094 526 D CA -0.021 54.013 54.000 0.056 0.000 0.839 526 D CB 0.144 40.955 40.800 0.018 0.000 0.963 526 D HN 0.429 nan 8.370 nan 0.000 0.506 527 D N 1.510 121.988 120.400 0.129 0.000 2.338 527 D HA -0.023 4.609 4.640 -0.013 0.000 0.255 527 D C 1.099 177.504 176.300 0.175 0.000 1.237 527 D CA 0.042 54.141 54.000 0.165 0.000 0.883 527 D CB 1.581 42.550 40.800 0.283 0.000 1.087 527 D HN -0.163 nan 8.370 nan 0.000 0.485 528 E N 3.060 123.328 120.200 0.113 0.000 2.150 528 E HA -0.113 4.230 4.350 -0.013 0.000 0.193 528 E C 1.729 178.383 176.600 0.091 0.000 0.985 528 E CA 1.154 57.605 56.400 0.085 0.000 0.814 528 E CB 0.064 29.797 29.700 0.054 0.000 0.752 528 E HN 0.582 nan 8.360 nan 0.000 0.466 529 A N -0.243 122.647 122.820 0.118 0.000 1.873 529 A HA -0.136 4.177 4.320 -0.013 0.000 0.215 529 A C 2.181 179.854 177.584 0.147 0.000 1.186 529 A CA 1.253 53.357 52.037 0.113 0.000 0.616 529 A CB -0.933 18.137 19.000 0.116 0.000 0.823 529 A HN 0.443 nan 8.150 nan 0.000 0.442 530 F N 0.429 120.399 119.950 0.033 0.000 2.102 530 F HA -0.156 4.365 4.527 -0.011 0.000 0.298 530 F C 2.065 177.873 175.800 0.012 0.000 1.105 530 F CA 1.631 59.636 58.000 0.009 0.000 1.239 530 F CB -0.127 38.891 39.000 0.030 0.000 0.991 530 F HN 0.163 nan 8.300 nan 0.000 0.474 531 I N 0.298 120.897 120.570 0.049 0.000 2.151 531 I HA -0.387 3.775 4.170 -0.013 0.000 0.243 531 I C 2.609 178.672 176.117 -0.091 0.000 1.080 531 I CA 1.858 63.131 61.300 -0.044 0.000 1.339 531 I CB -0.550 37.470 38.000 0.034 0.000 1.039 531 I HN 0.132 nan 8.210 nan 0.000 0.409 532 R N 0.841 121.314 120.500 -0.046 0.000 2.081 532 R HA -0.190 4.143 4.340 -0.013 0.000 0.235 532 R C 1.853 178.102 176.300 -0.084 0.000 1.131 532 R CA 1.959 58.030 56.100 -0.048 0.000 0.960 532 R CB -0.146 30.145 30.300 -0.015 0.000 0.856 532 R HN 0.289 nan 8.270 nan 0.000 0.436 533 D N -0.121 120.210 120.400 -0.115 0.000 2.117 533 D HA -0.110 4.523 4.640 -0.013 0.000 0.198 533 D C 1.986 178.159 176.300 -0.211 0.000 0.982 533 D CA 1.187 55.106 54.000 -0.136 0.000 0.828 533 D CB -0.185 40.553 40.800 -0.103 0.000 0.967 533 D HN 0.083 nan 8.370 nan 0.000 0.464 534 V N 1.562 121.253 119.914 -0.372 0.000 2.287 534 V HA -0.269 3.843 4.120 -0.013 0.000 0.248 534 V C 2.532 178.530 176.094 -0.160 0.000 1.053 534 V CA 2.001 64.096 62.300 -0.342 0.000 1.027 534 V CB -0.848 30.691 31.823 -0.473 0.000 0.646 534 V HN 0.196 nan 8.190 nan 0.000 0.447 535 A N -0.562 122.185 122.820 -0.121 0.000 1.969 535 A HA -0.240 4.072 4.320 -0.013 0.000 0.218 535 A C 2.354 179.900 177.584 -0.063 0.000 1.169 535 A CA 2.039 54.038 52.037 -0.064 0.000 0.635 535 A CB -0.461 18.506 19.000 -0.055 0.000 0.810 535 A HN 0.542 nan 8.150 nan 0.000 0.445 536 K N -0.188 120.170 120.400 -0.071 0.000 2.025 536 K HA -0.084 4.228 4.320 -0.013 0.000 0.207 536 K C 1.801 178.373 176.600 -0.046 0.000 1.049 536 K CA 1.572 57.827 56.287 -0.054 0.000 0.933 536 K CB -0.263 32.208 32.500 -0.048 0.000 0.714 536 K HN 0.216 nan 8.250 nan 0.000 0.438 537 V N 1.745 121.625 119.914 -0.056 0.000 2.343 537 V HA -0.243 3.870 4.120 -0.013 0.000 0.247 537 V C 2.388 178.465 176.094 -0.028 0.000 1.051 537 V CA 1.987 64.263 62.300 -0.040 0.000 1.036 537 V CB -0.451 31.341 31.823 -0.052 0.000 0.654 537 V HN 0.355 nan 8.190 nan 0.000 0.451 538 K N 0.389 120.770 120.400 -0.032 0.000 2.026 538 K HA -0.212 4.100 4.320 -0.013 0.000 0.208 538 K C 2.180 178.752 176.600 -0.047 0.000 1.048 538 K CA 1.723 57.998 56.287 -0.021 0.000 0.929 538 K CB -0.516 31.986 32.500 0.005 0.000 0.713 538 K HN 0.361 nan 8.250 nan 0.000 0.439 539 Q N 1.152 120.918 119.800 -0.056 0.000 2.096 539 Q HA -0.143 4.190 4.340 -0.013 0.000 0.204 539 Q C 1.707 177.687 176.000 -0.034 0.000 0.982 539 Q CA 2.080 57.843 55.803 -0.068 0.000 0.850 539 Q CB -0.175 28.527 28.738 -0.059 0.000 0.901 539 Q HN 0.508 nan 8.270 nan 0.000 0.422 540 E N -0.449 119.743 120.200 -0.015 0.000 2.085 540 E HA -0.189 4.153 4.350 -0.013 0.000 0.194 540 E C 1.807 178.428 176.600 0.035 0.000 0.994 540 E CA 1.109 57.515 56.400 0.010 0.000 0.801 540 E CB -0.138 29.566 29.700 0.006 0.000 0.743 540 E HN 0.411 nan 8.360 nan 0.000 0.453 541 N N 0.915 119.632 118.700 0.029 0.000 2.120 541 N HA -0.140 4.593 4.740 -0.013 0.000 0.188 541 N C 1.533 177.115 175.510 0.121 0.000 1.024 541 N CA 1.093 54.179 53.050 0.061 0.000 0.852 541 N CB -0.100 38.407 38.487 0.034 0.000 1.003 541 N HN 0.147 nan 8.380 nan 0.000 0.424 542 K N 0.486 120.918 120.400 0.053 0.000 2.097 542 K HA 0.034 4.346 4.320 -0.013 0.000 0.205 542 K C 2.111 178.831 176.600 0.200 0.000 1.050 542 K CA 0.586 56.912 56.287 0.065 0.000 0.938 542 K CB -0.120 32.155 32.500 -0.376 0.000 0.718 542 K HN 0.102 nan 8.250 nan 0.000 0.442 543 L N 1.234 122.522 121.223 0.109 0.000 2.017 543 L HA -0.185 4.147 4.340 -0.013 0.000 0.208 543 L C 2.619 179.583 176.870 0.155 0.000 1.073 543 L CA 1.294 56.207 54.840 0.121 0.000 0.745 543 L CB -0.321 41.778 42.059 0.068 0.000 0.894 543 L HN 0.153 nan 8.230 nan 0.000 0.432 544 K N -0.266 120.228 120.400 0.157 0.000 2.057 544 K HA -0.241 4.071 4.320 -0.013 0.000 0.207 544 K C 2.177 178.923 176.600 0.243 0.000 1.049 544 K CA 1.660 58.047 56.287 0.166 0.000 0.931 544 K CB -0.134 32.448 32.500 0.137 0.000 0.714 544 K HN 0.112 nan 8.250 nan 0.000 0.440 545 F N 0.941 120.989 119.950 0.163 0.000 2.206 545 F HA 0.024 4.544 4.527 -0.012 0.000 0.298 545 F C 1.964 177.911 175.800 0.245 0.000 1.090 545 F CA 1.033 59.157 58.000 0.207 0.000 1.323 545 F CB -0.245 38.881 39.000 0.211 0.000 1.028 545 F HN 0.055 nan 8.300 nan 0.000 0.492 546 A N 0.158 123.138 122.820 0.268 0.000 1.972 546 A HA -0.030 4.283 4.320 -0.013 0.000 0.219 546 A C 2.359 179.960 177.584 0.028 0.000 1.169 546 A CA 1.592 53.715 52.037 0.143 0.000 0.635 546 A CB -1.365 17.786 19.000 0.252 0.000 0.810 546 A HN 0.432 nan 8.150 nan 0.000 0.446 547 A N -1.613 121.246 122.820 0.064 0.000 1.929 547 A HA -0.025 4.287 4.320 -0.013 0.000 0.216 547 A C 2.094 179.675 177.584 -0.005 0.000 1.176 547 A CA 1.395 53.450 52.037 0.031 0.000 0.628 547 A CB -0.768 18.271 19.000 0.065 0.000 0.816 547 A HN 0.701 nan 8.150 nan 0.000 0.444 548 Y N 0.603 120.832 120.300 -0.119 0.000 2.165 548 Y HA -0.197 4.346 4.550 -0.012 0.000 0.286 548 Y C 1.948 177.732 175.900 -0.192 0.000 1.155 548 Y CA 1.931 59.940 58.100 -0.152 0.000 1.164 548 Y CB -0.225 38.136 38.460 -0.164 0.000 0.978 548 Y HN 0.216 nan 8.280 nan 0.000 0.513 549 L N -0.002 121.062 121.223 -0.265 0.000 2.046 549 L HA -0.221 4.111 4.340 -0.013 0.000 0.208 549 L C 2.383 179.123 176.870 -0.217 0.000 1.077 549 L CA 1.770 56.461 54.840 -0.248 0.000 0.747 549 L CB -0.509 41.383 42.059 -0.279 0.000 0.896 549 L HN 0.332 nan 8.230 nan 0.000 0.432 550 E N -0.251 119.807 120.200 -0.236 0.000 2.047 550 E HA -0.190 4.153 4.350 -0.013 0.000 0.191 550 E C 2.358 178.817 176.600 -0.234 0.000 0.987 550 E CA 0.891 57.122 56.400 -0.282 0.000 0.799 550 E CB 0.009 29.552 29.700 -0.262 0.000 0.752 550 E HN 0.392 nan 8.360 nan 0.000 0.449 551 R N 0.403 120.768 120.500 -0.225 0.000 2.092 551 R HA -0.128 4.204 4.340 -0.013 0.000 0.231 551 R C 1.968 178.078 176.300 -0.316 0.000 1.119 551 R CA 1.195 57.163 56.100 -0.219 0.000 0.970 551 R CB 0.013 30.208 30.300 -0.175 0.000 0.864 551 R HN 0.027 nan 8.270 nan 0.000 0.440 552 E N -1.557 118.343 120.200 -0.500 0.000 2.389 552 E HA 0.017 4.359 4.350 -0.013 0.000 0.199 552 E C 0.040 176.111 176.600 -0.880 0.000 0.978 552 E CA 0.591 56.539 56.400 -0.753 0.000 0.912 552 E CB 0.545 29.549 29.700 -1.159 0.000 0.907 552 E HN 0.271 nan 8.360 nan 0.000 0.494 553 Y N -0.376 119.769 120.300 -0.259 0.000 2.728 553 Y HA 0.286 4.828 4.550 -0.013 0.000 0.256 553 Y C -0.168 175.650 175.900 -0.136 0.000 1.112 553 Y CA -0.638 57.366 58.100 -0.160 0.000 1.240 553 Y CB 0.909 39.285 38.460 -0.139 0.000 1.337 553 Y HN -0.250 nan 8.280 nan 0.000 0.559 554 K N 0.380 120.732 120.400 -0.081 0.000 3.012 554 K HA -0.149 4.164 4.320 -0.013 0.000 0.259 554 K C -0.414 176.111 176.600 -0.125 0.000 0.989 554 K CA 0.894 57.114 56.287 -0.111 0.000 0.728 554 K CB -2.314 30.170 32.500 -0.027 0.000 1.260 554 K HN 0.280 nan 8.250 nan 0.000 0.480 555 V N -2.004 117.808 119.914 -0.169 0.000 2.459 555 V HA 0.533 4.645 4.120 -0.013 0.000 0.295 555 V C 0.201 176.146 176.094 -0.248 0.000 1.029 555 V CA -0.954 61.273 62.300 -0.122 0.000 0.874 555 V CB 1.677 33.472 31.823 -0.047 0.000 0.985 555 V HN 0.249 nan 8.190 nan 0.000 0.438 556 H N 4.955 124.019 119.070 -0.009 0.000 2.467 556 H HA 0.815 5.364 4.556 -0.013 0.000 0.326 556 H C 0.055 175.378 175.328 -0.008 0.000 1.094 556 H CA -0.175 55.871 56.048 -0.003 0.000 1.253 556 H CB 1.655 31.421 29.762 0.006 0.000 1.439 556 H HN 0.955 nan 8.280 nan 0.000 0.479 557 I N -0.614 120.022 120.570 0.110 0.000 2.969 557 I HA 0.475 4.637 4.170 -0.013 0.000 0.307 557 I C -0.604 175.597 176.117 0.141 0.000 1.149 557 I CA -1.386 59.965 61.300 0.086 0.000 1.008 557 I CB 2.289 40.299 38.000 0.016 0.000 1.232 557 I HN 0.343 nan 8.210 nan 0.000 0.435 558 N N 4.358 123.144 118.700 0.144 0.000 2.406 558 N HA 0.412 5.144 4.740 -0.013 0.000 0.251 558 N C -2.048 173.613 175.510 0.251 0.000 1.069 558 N CA -2.396 50.748 53.050 0.156 0.000 0.947 558 N CB 1.068 39.617 38.487 0.103 0.000 1.111 558 N HN 0.377 nan 8.380 nan 0.000 0.497 559 P HA 0.062 nan 4.420 nan 0.000 0.237 559 P C -0.105 177.192 177.300 -0.004 0.000 1.178 559 P CA 0.892 64.086 63.100 0.158 0.000 0.766 559 P CB 0.216 31.983 31.700 0.110 0.000 0.876 560 N N -1.075 117.654 118.700 0.048 0.000 2.422 560 N HA -0.011 4.722 4.740 -0.013 0.000 0.181 560 N C 0.493 176.038 175.510 0.058 0.000 1.080 560 N CA -0.025 53.041 53.050 0.027 0.000 0.893 560 N CB -0.018 38.494 38.487 0.042 0.000 0.973 560 N HN 0.139 nan 8.380 nan 0.000 0.456 561 S N 0.256 116.006 115.700 0.083 0.000 2.614 561 S HA 0.164 4.627 4.470 -0.013 0.000 0.265 561 S C 0.079 174.654 174.600 -0.042 0.000 1.303 561 S CA -0.880 57.353 58.200 0.054 0.000 1.000 561 S CB 0.970 64.232 63.200 0.102 0.000 0.935 561 S HN 0.181 nan 8.310 nan 0.000 0.551 562 L N 2.045 123.080 121.223 -0.313 0.000 2.418 562 L HA 0.342 4.675 4.340 -0.013 0.000 0.274 562 L C -0.804 176.050 176.870 -0.027 0.000 1.135 562 L CA -0.478 54.000 54.840 -0.604 0.000 0.870 562 L CB -0.227 41.205 42.059 -1.044 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.223 124.045 119.950 -0.213 0.000 2.439 563 F HA 0.086 4.606 4.527 -0.011 0.000 0.356 563 F C 0.451 176.189 175.800 -0.103 0.000 1.161 563 F CA -0.783 57.158 58.000 -0.098 0.000 1.151 563 F CB 0.485 39.472 39.000 -0.023 0.000 1.222 563 F HN 0.517 nan 8.300 nan 0.000 0.558 564 D N 4.887 125.293 120.400 0.011 0.000 2.412 564 D HA 0.243 4.875 4.640 -0.013 0.000 0.224 564 D C -1.092 175.156 176.300 -0.086 0.000 1.093 564 D CA -0.105 53.859 54.000 -0.059 0.000 0.850 564 D CB 1.449 42.197 40.800 -0.086 0.000 1.046 564 D HN 0.264 nan 8.370 nan 0.000 0.507 565 V N 3.254 123.101 119.914 -0.112 0.000 2.656 565 V HA 0.548 4.660 4.120 -0.013 0.000 0.307 565 V C -1.429 174.520 176.094 -0.242 0.000 1.051 565 V CA -0.650 61.565 62.300 -0.143 0.000 0.893 565 V CB 1.846 33.638 31.823 -0.052 0.000 0.999 565 V HN 0.541 nan 8.190 nan 0.000 0.426 566 Q N 4.722 124.396 119.800 -0.211 0.000 2.394 566 Q HA 0.656 4.989 4.340 -0.013 0.000 0.261 566 Q C -1.434 174.406 176.000 -0.267 0.000 1.023 566 Q CA -0.631 55.033 55.803 -0.233 0.000 0.720 566 Q CB 1.839 30.469 28.738 -0.180 0.000 1.241 566 Q HN 1.087 nan 8.270 nan 0.000 0.483 567 V N 1.605 121.347 119.914 -0.286 0.000 2.444 567 V HA 0.867 4.979 4.120 -0.013 0.000 0.294 567 V C -0.949 174.880 176.094 -0.442 0.000 1.022 567 V CA -0.557 61.396 62.300 -0.578 0.000 0.850 567 V CB 1.171 32.441 31.823 -0.922 0.000 0.992 567 V HN 0.825 nan 8.190 nan 0.000 0.426 568 K N 2.551 122.726 120.400 -0.375 0.000 3.040 568 K HA 0.436 4.748 4.320 -0.013 0.000 0.300 568 K C -1.226 175.380 176.600 0.011 0.000 1.092 568 K CA -1.205 55.046 56.287 -0.061 0.000 0.831 568 K CB 0.850 33.307 32.500 -0.071 0.000 1.469 568 K HN 0.438 nan 8.250 nan 0.000 0.365 569 R N 0.969 121.541 120.500 0.120 0.000 2.698 569 R HA 0.148 4.480 4.340 -0.013 0.000 0.266 569 R C 0.331 176.685 176.300 0.089 0.000 1.026 569 R CA -0.297 55.897 56.100 0.157 0.000 1.102 569 R CB -0.132 30.323 30.300 0.259 0.000 0.978 569 R HN 0.480 nan 8.270 nan 0.000 0.436 570 I N 4.553 125.145 120.570 0.037 0.000 2.436 570 I HA 0.102 4.265 4.170 -0.013 0.000 0.289 570 I C 0.748 176.753 176.117 -0.186 0.000 1.083 570 I CA 0.645 61.900 61.300 -0.074 0.000 1.372 570 I CB -0.314 37.629 38.000 -0.096 0.000 1.408 570 I HN 0.272 nan 8.210 nan 0.000 0.516 571 H N 4.356 123.320 119.070 -0.175 0.000 2.996 571 H HA 0.211 4.759 4.556 -0.013 0.000 0.368 571 H C 0.446 175.650 175.328 -0.205 0.000 1.185 571 H CA -0.457 55.526 56.048 -0.110 0.000 1.160 571 H CB 2.149 31.789 29.762 -0.202 0.000 1.820 571 H HN 0.528 nan 8.280 nan 0.000 0.547 572 E N 1.364 121.610 120.200 0.077 0.000 2.110 572 E HA -0.221 4.121 4.350 -0.013 0.000 0.193 572 E C 1.476 177.809 176.600 -0.445 0.000 0.988 572 E CA 1.639 58.014 56.400 -0.041 0.000 0.804 572 E CB 0.006 29.869 29.700 0.272 0.000 0.745 572 E HN 0.555 nan 8.360 nan 0.000 0.458 573 Y N 0.783 120.564 120.300 -0.865 0.000 2.352 573 Y HA -0.043 4.499 4.550 -0.013 0.000 0.292 573 Y C 1.522 177.153 175.900 -0.448 0.000 1.136 573 Y CA 0.902 58.324 58.100 -1.130 0.000 1.227 573 Y CB -0.101 37.775 38.460 -0.974 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.653 120.580 120.400 -0.788 0.000 2.432 574 K HA 0.080 4.393 4.320 -0.013 0.000 0.196 574 K C 0.149 176.569 176.600 -0.300 0.000 1.038 574 K CA 0.499 56.441 56.287 -0.575 0.000 0.986 574 K CB -0.013 32.143 32.500 -0.573 0.000 0.782 574 K HN 0.242 nan 8.250 nan 0.000 0.485 575 R N 0.377 120.730 120.500 -0.246 0.000 3.422 575 R HA -0.230 4.102 4.340 -0.013 0.000 0.267 575 R C 0.279 176.495 176.300 -0.139 0.000 1.074 575 R CA 0.223 56.231 56.100 -0.153 0.000 0.718 575 R CB -1.957 28.269 30.300 -0.122 0.000 1.157 575 R HN 0.295 nan 8.270 nan 0.000 0.440 576 Q N 0.363 120.081 119.800 -0.138 0.000 2.248 576 Q HA -0.087 4.245 4.340 -0.013 0.000 0.208 576 Q C 2.042 177.991 176.000 -0.085 0.000 0.984 576 Q CA 1.562 57.300 55.803 -0.108 0.000 0.875 576 Q CB -0.015 28.663 28.738 -0.101 0.000 0.910 576 Q HN 0.588 nan 8.270 nan 0.000 0.433 577 L N -0.656 120.518 121.223 -0.081 0.000 2.141 577 L HA -0.170 4.162 4.340 -0.013 0.000 0.209 577 L C 2.011 178.878 176.870 -0.006 0.000 1.094 577 L CA 0.481 55.288 54.840 -0.055 0.000 0.763 577 L CB -0.330 41.705 42.059 -0.040 0.000 0.908 577 L HN 0.307 nan 8.230 nan 0.000 0.437 578 L N 0.068 121.281 121.223 -0.018 0.000 2.046 578 L HA -0.231 4.101 4.340 -0.013 0.000 0.208 578 L C 2.027 178.946 176.870 0.081 0.000 1.077 578 L CA 1.882 56.722 54.840 0.000 0.000 0.747 578 L CB -0.808 41.146 42.059 -0.175 0.000 0.896 578 L HN 0.272 nan 8.230 nan 0.000 0.432 579 N N -1.620 117.098 118.700 0.029 0.000 2.069 579 N HA -0.250 4.482 4.740 -0.013 0.000 0.191 579 N C 1.956 177.547 175.510 0.134 0.000 1.031 579 N CA 1.757 54.901 53.050 0.157 0.000 0.852 579 N CB -0.154 38.358 38.487 0.041 0.000 1.018 579 N HN 0.497 nan 8.380 nan 0.000 0.423 580 C N 0.531 119.845 119.300 0.024 0.000 2.413 580 C HA -0.100 4.353 4.460 -0.013 0.000 0.276 580 C C 2.578 177.557 174.990 -0.019 0.000 1.248 580 C CA 0.447 59.433 59.018 -0.055 0.000 1.742 580 C CB -1.281 26.373 27.740 -0.143 0.000 2.017 580 C HN 0.504 nan 8.230 nan 0.000 0.481 581 L N -0.493 120.779 121.223 0.082 0.000 2.083 581 L HA -0.182 4.151 4.340 -0.013 0.000 0.209 581 L C 2.763 179.785 176.870 0.253 0.000 1.083 581 L CA 1.703 56.637 54.840 0.157 0.000 0.752 581 L CB -1.024 41.185 42.059 0.250 0.000 0.899 581 L HN 0.584 nan 8.230 nan 0.000 0.433 582 H N -0.012 119.166 119.070 0.181 0.000 2.326 582 H HA -0.135 4.414 4.556 -0.013 0.000 0.301 582 H C 2.261 177.583 175.328 -0.011 0.000 1.081 582 H CA 1.885 57.958 56.048 0.042 0.000 1.334 582 H CB 0.311 30.025 29.762 -0.081 0.000 1.385 582 H HN 0.081 nan 8.280 nan 0.000 0.504 583 V N 1.646 121.488 119.914 -0.121 0.000 2.282 583 V HA -0.296 3.817 4.120 -0.013 0.000 0.249 583 V C 2.842 178.873 176.094 -0.105 0.000 1.057 583 V CA 2.050 64.246 62.300 -0.172 0.000 1.032 583 V CB -0.542 31.223 31.823 -0.096 0.000 0.645 583 V HN 0.395 nan 8.190 nan 0.000 0.447 584 I N -0.276 120.266 120.570 -0.045 0.000 2.286 584 I HA -0.218 3.945 4.170 -0.013 0.000 0.248 584 I C 2.490 178.661 176.117 0.090 0.000 1.115 584 I CA 1.720 63.060 61.300 0.068 0.000 1.392 584 I CB -0.725 37.289 38.000 0.024 0.000 1.065 584 I HN 0.331 nan 8.210 nan 0.000 0.418 585 T N 1.247 115.812 114.554 0.017 0.000 2.684 585 T HA -0.160 4.182 4.350 -0.013 0.000 0.267 585 T C 1.876 176.527 174.700 -0.082 0.000 1.036 585 T CA 1.247 63.347 62.100 0.001 0.000 1.148 585 T CB -0.259 68.638 68.868 0.048 0.000 0.863 585 T HN 0.083 nan 8.240 nan 0.000 0.436 586 L N 0.031 121.137 121.223 -0.195 0.000 2.046 586 L HA 0.008 4.341 4.340 -0.013 0.000 0.208 586 L C 2.097 178.926 176.870 -0.069 0.000 1.077 586 L CA 1.518 56.242 54.840 -0.195 0.000 0.747 586 L CB -1.057 40.813 42.059 -0.314 0.000 0.896 586 L HN 0.357 nan 8.230 nan 0.000 0.432 587 Y N 0.281 120.518 120.300 -0.105 0.000 2.145 587 Y HA -0.294 4.248 4.550 -0.013 0.000 0.286 587 Y C 2.434 178.313 175.900 -0.034 0.000 1.145 587 Y CA 1.883 59.960 58.100 -0.039 0.000 1.148 587 Y CB -0.102 38.381 38.460 0.038 0.000 0.981 587 Y HN 0.273 nan 8.280 nan 0.000 0.507 588 N N 0.440 119.099 118.700 -0.068 0.000 2.166 588 N HA -0.142 4.590 4.740 -0.013 0.000 0.186 588 N C 1.826 177.227 175.510 -0.181 0.000 1.019 588 N CA 1.499 54.450 53.050 -0.167 0.000 0.856 588 N CB -0.359 38.093 38.487 -0.058 0.000 0.993 588 N HN 0.438 nan 8.380 nan 0.000 0.426 589 R N 0.336 120.754 120.500 -0.136 0.000 2.092 589 R HA 0.079 4.411 4.340 -0.013 0.000 0.231 589 R C 2.208 178.422 176.300 -0.144 0.000 1.119 589 R CA 0.753 56.780 56.100 -0.122 0.000 0.970 589 R CB -0.234 30.004 30.300 -0.102 0.000 0.864 589 R HN 0.236 nan 8.270 nan 0.000 0.440 590 I N 0.941 121.405 120.570 -0.177 0.000 2.179 590 I HA -0.274 3.888 4.170 -0.013 0.000 0.242 590 I C 2.106 178.101 176.117 -0.204 0.000 1.088 590 I CA 1.207 62.401 61.300 -0.178 0.000 1.357 590 I CB -0.196 37.701 38.000 -0.172 0.000 1.051 590 I HN 0.013 nan 8.210 nan 0.000 0.409 591 K N 0.859 121.071 120.400 -0.314 0.000 2.209 591 K HA -0.203 4.110 4.320 -0.013 0.000 0.204 591 K C 2.015 178.512 176.600 -0.172 0.000 1.048 591 K CA 1.216 57.332 56.287 -0.284 0.000 0.940 591 K CB -0.285 31.965 32.500 -0.417 0.000 0.729 591 K HN 0.345 nan 8.250 nan 0.000 0.451 592 K N 1.043 121.351 120.400 -0.153 0.000 2.076 592 K HA -0.062 4.251 4.320 -0.013 0.000 0.204 592 K C 0.011 176.563 176.600 -0.080 0.000 1.051 592 K CA 0.946 57.170 56.287 -0.105 0.000 0.949 592 K CB 0.381 32.824 32.500 -0.096 0.000 0.726 592 K HN 0.060 nan 8.250 nan 0.000 0.443 593 E N 0.353 120.504 120.200 -0.082 0.000 3.037 593 E HA 0.122 4.464 4.350 -0.013 0.000 0.220 593 E C -2.324 174.240 176.600 -0.060 0.000 1.142 593 E CA -1.641 54.724 56.400 -0.059 0.000 0.888 593 E CB 1.706 31.378 29.700 -0.047 0.000 1.329 593 E HN 0.134 nan 8.360 nan 0.000 0.409 594 P HA -0.124 nan 4.420 nan 0.000 0.218 594 P C 0.240 177.520 177.300 -0.033 0.000 1.149 594 P CA 1.143 64.209 63.100 -0.057 0.000 0.817 594 P CB 0.202 31.872 31.700 -0.050 0.000 0.785 595 N N -1.187 117.502 118.700 -0.018 0.000 2.314 595 N HA 0.012 4.744 4.740 -0.013 0.000 0.200 595 N C 0.554 176.078 175.510 0.023 0.000 1.135 595 N CA -0.065 52.987 53.050 0.004 0.000 0.835 595 N CB 0.067 38.557 38.487 0.004 0.000 0.989 595 N HN -0.001 nan 8.380 nan 0.000 0.478 596 K N 1.214 121.622 120.400 0.013 0.000 2.143 596 K HA 0.138 4.451 4.320 -0.013 0.000 0.272 596 K C -0.909 175.728 176.600 0.062 0.000 1.001 596 K CA -0.559 55.750 56.287 0.038 0.000 0.915 596 K CB 0.642 33.145 32.500 0.005 0.000 1.047 596 K HN -0.041 nan 8.250 nan 0.000 0.458 597 F N 4.742 124.678 119.950 -0.024 0.000 2.495 597 F HA 0.190 4.709 4.527 -0.013 0.000 0.365 597 F C -0.339 175.445 175.800 -0.026 0.000 1.090 597 F CA -0.197 57.790 58.000 -0.022 0.000 1.235 597 F CB 0.591 39.581 39.000 -0.017 0.000 1.119 597 F HN 0.175 nan 8.300 nan 0.000 0.562 598 V N 4.428 123.814 119.914 -0.880 0.000 2.789 598 V HA 0.549 4.662 4.120 -0.013 0.000 0.311 598 V C -0.656 174.813 176.094 -1.043 0.000 1.073 598 V CA -1.211 60.660 62.300 -0.716 0.000 0.921 598 V CB 1.010 32.619 31.823 -0.357 0.000 1.009 598 V HN 0.585 nan 8.190 nan 0.000 0.426 599 V N 5.048 124.612 119.914 -0.583 0.000 2.493 599 V HA 0.178 4.291 4.120 -0.013 0.000 0.292 599 V C -1.816 174.107 176.094 -0.286 0.000 1.016 599 V CA -0.341 61.764 62.300 -0.326 0.000 1.097 599 V CB 0.350 32.112 31.823 -0.101 0.000 0.947 599 V HN 0.910 nan 8.190 nan 0.000 0.479 600 P HA 0.365 nan 4.420 nan 0.000 0.271 600 P C -0.464 176.748 177.300 -0.147 0.000 1.216 600 P CA -0.165 62.844 63.100 -0.153 0.000 0.776 600 P CB 0.579 32.237 31.700 -0.070 0.000 0.881 601 R N 1.057 121.483 120.500 -0.123 0.000 2.686 601 R HA 0.546 4.878 4.340 -0.013 0.000 0.283 601 R C -0.757 175.505 176.300 -0.062 0.000 0.978 601 R CA -0.625 55.406 56.100 -0.114 0.000 0.897 601 R CB 1.945 32.163 30.300 -0.136 0.000 1.192 601 R HN 0.308 nan 8.270 nan 0.000 0.457 602 T N 2.172 116.706 114.554 -0.034 0.000 2.821 602 T HA 0.229 4.571 4.350 -0.013 0.000 0.307 602 T C -0.193 174.426 174.700 -0.136 0.000 1.034 602 T CA -0.483 61.555 62.100 -0.103 0.000 0.953 602 T CB 1.100 69.840 68.868 -0.213 0.000 0.968 602 T HN 0.143 nan 8.240 nan 0.000 0.462 603 V N 5.976 125.820 119.914 -0.117 0.000 2.385 603 V HA 0.387 4.499 4.120 -0.013 0.000 0.269 603 V C 0.111 176.132 176.094 -0.122 0.000 1.043 603 V CA -0.363 61.873 62.300 -0.106 0.000 0.906 603 V CB 0.485 32.261 31.823 -0.077 0.000 0.995 603 V HN 0.858 nan 8.190 nan 0.000 0.467 604 M N 6.773 126.289 119.600 -0.139 0.000 2.167 604 M HA 0.609 5.082 4.480 -0.013 0.000 0.333 604 M C -0.964 175.234 176.300 -0.170 0.000 1.030 604 M CA -0.142 55.066 55.300 -0.153 0.000 0.963 604 M CB 1.903 34.407 32.600 -0.161 0.000 1.589 604 M HN 0.414 nan 8.290 nan 0.000 0.431 605 I N 1.893 122.347 120.570 -0.193 0.000 2.498 605 I HA 0.843 5.006 4.170 -0.013 0.000 0.290 605 I C 0.121 175.930 176.117 -0.512 0.000 1.032 605 I CA -0.620 60.540 61.300 -0.234 0.000 1.073 605 I CB 2.300 40.251 38.000 -0.081 0.000 1.251 605 I HN 0.805 nan 8.210 nan 0.000 0.426 606 G N 2.892 111.351 108.800 -0.568 0.000 2.690 606 G HA2 0.834 4.786 3.960 -0.013 0.000 0.291 606 G HA3 0.834 4.786 3.960 -0.013 0.000 0.291 606 G C -0.990 173.617 174.900 -0.488 0.000 1.403 606 G CA -0.695 43.918 45.100 -0.811 0.000 0.864 606 G HN 1.003 nan 8.290 nan 0.000 0.480 607 G N -0.522 108.135 108.800 -0.239 0.000 2.321 607 G HA2 0.382 4.334 3.960 -0.013 0.000 0.339 607 G HA3 0.382 4.334 3.960 -0.013 0.000 0.339 607 G C -1.265 173.764 174.900 0.216 0.000 1.518 607 G CA -1.031 44.104 45.100 0.059 0.000 0.994 607 G HN 0.607 nan 8.290 nan 0.000 0.668 608 K N -0.073 120.452 120.400 0.209 0.000 2.110 608 K HA 0.750 5.062 4.320 -0.013 0.000 0.263 608 K C 0.317 177.045 176.600 0.214 0.000 0.975 608 K CA -0.135 56.293 56.287 0.235 0.000 0.895 608 K CB 2.018 34.564 32.500 0.076 0.000 1.060 608 K HN 0.905 nan 8.250 nan 0.000 0.448 609 A N 1.481 124.452 122.820 0.251 0.000 2.312 609 A HA 0.627 4.940 4.320 -0.013 0.000 0.326 609 A C -0.388 177.349 177.584 0.256 0.000 1.172 609 A CA -0.723 51.394 52.037 0.132 0.000 0.821 609 A CB 0.942 19.940 19.000 -0.003 0.000 1.166 609 A HN 0.785 nan 8.150 nan 0.000 0.493 610 A N 3.567 126.511 122.820 0.207 0.000 2.540 610 A HA 0.445 4.757 4.320 -0.013 0.000 0.239 610 A C -1.385 176.261 177.584 0.102 0.000 1.061 610 A CA -0.703 51.461 52.037 0.212 0.000 0.758 610 A CB -0.381 18.713 19.000 0.157 0.000 0.991 610 A HN 0.601 nan 8.150 nan 0.000 0.502 611 P HA -0.141 nan 4.420 nan 0.000 0.217 611 P C 1.328 178.608 177.300 -0.033 0.000 1.148 611 P CA 1.982 65.010 63.100 -0.119 0.000 0.828 611 P CB 0.201 31.779 31.700 -0.203 0.000 0.783 612 G N -3.066 105.736 108.800 0.003 0.000 3.042 612 G HA2 -0.082 3.870 3.960 -0.013 0.000 0.212 612 G HA3 -0.082 3.870 3.960 -0.013 0.000 0.212 612 G C -0.196 174.731 174.900 0.045 0.000 1.166 612 G CA -0.112 44.994 45.100 0.010 0.000 0.767 612 G HN 0.307 nan 8.290 nan 0.000 0.546 613 Y N 1.620 121.856 120.300 -0.106 0.000 2.650 613 Y HA 0.204 4.747 4.550 -0.013 0.000 0.343 613 Y C 1.618 177.502 175.900 -0.027 0.000 1.078 613 Y CA -1.076 56.947 58.100 -0.130 0.000 1.356 613 Y CB 0.174 38.511 38.460 -0.204 0.000 1.204 613 Y HN 0.289 nan 8.280 nan 0.000 0.508 614 H N 4.247 123.441 119.070 0.207 0.000 2.319 614 H HA -0.210 4.339 4.556 -0.012 0.000 0.299 614 H C 1.799 177.172 175.328 0.074 0.000 1.092 614 H CA 2.281 58.395 56.048 0.111 0.000 1.302 614 H CB 0.387 30.208 29.762 0.098 0.000 1.373 614 H HN 0.730 nan 8.280 nan 0.000 0.497 615 M N 1.069 120.697 119.600 0.047 0.000 2.117 615 M HA -0.078 4.395 4.480 -0.013 0.000 0.262 615 M C 2.534 178.629 176.300 -0.342 0.000 1.065 615 M CA 1.840 57.079 55.300 -0.101 0.000 1.114 615 M CB -0.732 31.947 32.600 0.132 0.000 1.361 615 M HN 0.338 nan 8.290 nan 0.000 0.408 616 A N -0.506 121.882 122.820 -0.719 0.000 1.933 616 A HA -0.182 4.131 4.320 -0.013 0.000 0.218 616 A C 2.196 179.576 177.584 -0.341 0.000 1.175 616 A CA 1.794 53.406 52.037 -0.709 0.000 0.628 616 A CB -0.636 17.683 19.000 -1.135 0.000 0.814 616 A HN 0.583 nan 8.150 nan 0.000 0.444 617 K N -1.140 119.116 120.400 -0.241 0.000 2.097 617 K HA -0.054 4.259 4.320 -0.013 0.000 0.205 617 K C 1.914 178.468 176.600 -0.077 0.000 1.050 617 K CA 1.254 57.484 56.287 -0.094 0.000 0.938 617 K CB -0.206 32.297 32.500 0.004 0.000 0.718 617 K HN 0.336 nan 8.250 nan 0.000 0.442 618 M N 0.492 120.000 119.600 -0.154 0.000 2.175 618 M HA -0.078 4.395 4.480 -0.013 0.000 0.264 618 M C 2.086 178.325 176.300 -0.102 0.000 1.063 618 M CA 1.404 56.654 55.300 -0.084 0.000 1.119 618 M CB -0.610 31.923 32.600 -0.111 0.000 1.377 618 M HN 0.122 nan 8.290 nan 0.000 0.415 619 I N -0.251 120.220 120.570 -0.166 0.000 2.252 619 I HA -0.294 3.869 4.170 -0.013 0.000 0.245 619 I C 2.274 178.258 176.117 -0.221 0.000 1.102 619 I CA 1.009 62.197 61.300 -0.185 0.000 1.385 619 I CB -0.325 37.566 38.000 -0.182 0.000 1.064 619 I HN 0.166 nan 8.210 nan 0.000 0.414 620 I N 0.725 121.144 120.570 -0.251 0.000 2.163 620 I HA -0.319 3.843 4.170 -0.013 0.000 0.243 620 I C 2.626 178.457 176.117 -0.476 0.000 1.085 620 I CA 1.332 62.380 61.300 -0.420 0.000 1.347 620 I CB -0.347 37.383 38.000 -0.450 0.000 1.044 620 I HN 0.157 nan 8.210 nan 0.000 0.408 621 K N 1.545 121.690 120.400 -0.426 0.000 2.063 621 K HA -0.168 4.145 4.320 -0.013 0.000 0.208 621 K C 2.049 178.486 176.600 -0.272 0.000 1.048 621 K CA 1.549 57.512 56.287 -0.541 0.000 0.928 621 K CB -0.638 31.281 32.500 -0.968 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.442 622 L N 0.374 121.465 121.223 -0.220 0.000 2.012 622 L HA -0.201 4.131 4.340 -0.013 0.000 0.210 622 L C 2.228 178.861 176.870 -0.395 0.000 1.073 622 L CA 1.853 56.396 54.840 -0.495 0.000 0.748 622 L CB -0.313 41.374 42.059 -0.619 0.000 0.891 622 L HN 0.279 nan 8.230 nan 0.000 0.431 623 I N -0.268 120.121 120.570 -0.301 0.000 2.163 623 I HA -0.334 3.828 4.170 -0.013 0.000 0.243 623 I C 2.639 178.651 176.117 -0.176 0.000 1.085 623 I CA 1.919 63.095 61.300 -0.206 0.000 1.347 623 I CB -0.599 37.355 38.000 -0.075 0.000 1.044 623 I HN 0.438 nan 8.210 nan 0.000 0.408 624 T N -0.819 113.602 114.554 -0.222 0.000 2.821 624 T HA -0.080 4.262 4.350 -0.013 0.000 0.267 624 T C 1.992 176.626 174.700 -0.111 0.000 1.046 624 T CA 0.956 62.956 62.100 -0.165 0.000 1.139 624 T CB -0.500 68.226 68.868 -0.237 0.000 0.871 624 T HN 0.338 nan 8.240 nan 0.000 0.454 625 A N 1.430 124.182 122.820 -0.115 0.000 1.930 625 A HA 0.146 4.459 4.320 -0.013 0.000 0.217 625 A C 2.369 179.975 177.584 0.037 0.000 1.175 625 A CA 1.253 53.292 52.037 0.002 0.000 0.627 625 A CB -0.812 18.280 19.000 0.154 0.000 0.815 625 A HN 0.593 nan 8.150 nan 0.000 0.443 626 I N -0.285 120.211 120.570 -0.124 0.000 2.179 626 I HA -0.196 3.967 4.170 -0.013 0.000 0.242 626 I C 2.746 178.829 176.117 -0.056 0.000 1.088 626 I CA 1.132 62.351 61.300 -0.134 0.000 1.357 626 I CB -0.685 37.105 38.000 -0.350 0.000 1.051 626 I HN 0.382 nan 8.210 nan 0.000 0.409 627 G N 0.575 109.328 108.800 -0.078 0.000 2.476 627 G HA2 -0.298 3.655 3.960 -0.013 0.000 0.218 627 G HA3 -0.298 3.655 3.960 -0.013 0.000 0.218 627 G C 1.257 176.131 174.900 -0.043 0.000 1.164 627 G CA 1.237 46.294 45.100 -0.071 0.000 0.768 627 G HN 0.293 nan 8.290 nan 0.000 0.560 628 D N -0.136 120.280 120.400 0.027 0.000 2.182 628 D HA -0.083 4.550 4.640 -0.013 0.000 0.201 628 D C 2.662 179.049 176.300 0.145 0.000 0.986 628 D CA 0.729 54.807 54.000 0.131 0.000 0.847 628 D CB -0.165 40.683 40.800 0.081 0.000 0.942 628 D HN 0.271 nan 8.370 nan 0.000 0.467 629 V N -0.100 119.834 119.914 0.033 0.000 2.426 629 V HA -0.107 4.006 4.120 -0.013 0.000 0.242 629 V C 2.518 178.544 176.094 -0.113 0.000 1.036 629 V CA 0.636 62.898 62.300 -0.064 0.000 1.044 629 V CB -0.073 31.652 31.823 -0.162 0.000 0.688 629 V HN 0.025 nan 8.190 nan 0.000 0.462 630 V N 0.912 120.714 119.914 -0.187 0.000 2.307 630 V HA -0.174 3.938 4.120 -0.013 0.000 0.245 630 V C 2.154 178.198 176.094 -0.083 0.000 1.045 630 V CA 1.942 64.128 62.300 -0.189 0.000 1.024 630 V CB -0.819 30.893 31.823 -0.186 0.000 0.651 630 V HN 0.554 nan 8.190 nan 0.000 0.449 631 N N -0.236 118.353 118.700 -0.184 0.000 2.512 631 N HA -0.093 4.639 4.740 -0.013 0.000 0.183 631 N C 1.233 176.493 175.510 -0.417 0.000 1.073 631 N CA 0.973 53.832 53.050 -0.318 0.000 0.911 631 N CB -0.285 37.934 38.487 -0.448 0.000 0.964 631 N HN 0.692 nan 8.380 nan 0.000 0.447 632 H N -1.564 117.510 119.070 0.007 0.000 2.784 632 H HA 0.197 4.746 4.556 -0.012 0.000 0.273 632 H C -0.483 174.860 175.328 0.024 0.000 1.112 632 H CA -0.491 55.562 56.048 0.008 0.000 1.162 632 H CB 0.648 30.405 29.762 -0.008 0.000 1.586 632 H HN -0.019 nan 8.280 nan 0.000 0.548 633 D N 2.454 122.929 120.400 0.124 0.000 2.339 633 D HA 0.020 4.652 4.640 -0.013 0.000 0.241 633 D C -1.405 174.953 176.300 0.097 0.000 1.183 633 D CA -2.111 51.974 54.000 0.140 0.000 0.859 633 D CB 1.647 42.605 40.800 0.262 0.000 1.067 633 D HN 0.154 nan 8.370 nan 0.000 0.484 634 P HA -0.119 nan 4.420 nan 0.000 0.220 634 P C 1.543 178.863 177.300 0.033 0.000 1.148 634 P CA 0.369 63.496 63.100 0.045 0.000 0.803 634 P CB 0.497 32.218 31.700 0.035 0.000 0.782 635 V N 0.063 119.997 119.914 0.033 0.000 2.515 635 V HA -0.157 3.955 4.120 -0.013 0.000 0.250 635 V C 2.781 178.877 176.094 0.002 0.000 1.058 635 V CA 1.384 63.689 62.300 0.009 0.000 1.064 635 V CB -1.004 30.814 31.823 -0.009 0.000 0.675 635 V HN -0.046 nan 8.190 nan 0.000 0.461 636 V N -0.078 119.854 119.914 0.031 0.000 2.358 636 V HA 0.065 4.177 4.120 -0.013 0.000 0.246 636 V C 1.799 177.899 176.094 0.009 0.000 1.047 636 V CA 1.646 63.964 62.300 0.030 0.000 1.035 636 V CB -1.295 30.592 31.823 0.107 0.000 0.658 636 V HN 0.749 nan 8.190 nan 0.000 0.452 637 G N 1.492 110.302 108.800 0.017 0.000 2.550 637 G HA2 -0.348 3.605 3.960 -0.013 0.000 0.277 637 G HA3 -0.348 3.605 3.960 -0.013 0.000 0.277 637 G C 0.225 175.126 174.900 0.002 0.000 1.190 637 G CA 0.388 45.492 45.100 0.008 0.000 0.971 637 G HN 0.686 nan 8.290 nan 0.000 0.559 638 D N 0.330 120.730 120.400 0.000 0.000 2.491 638 D HA 0.207 4.840 4.640 -0.013 0.000 0.228 638 D C 1.724 178.017 176.300 -0.013 0.000 1.183 638 D CA -0.035 53.966 54.000 0.001 0.000 0.827 638 D CB -0.049 40.760 40.800 0.016 0.000 0.989 638 D HN 0.590 nan 8.370 nan 0.000 0.494 639 R N -0.689 119.792 120.500 -0.031 0.000 2.200 639 R HA 0.218 4.551 4.340 -0.013 0.000 0.208 639 R C -0.068 176.189 176.300 -0.073 0.000 1.033 639 R CA 0.204 56.262 56.100 -0.070 0.000 1.000 639 R CB 0.374 30.615 30.300 -0.099 0.000 0.906 639 R HN 0.109 nan 8.270 nan 0.000 0.462 640 L N 0.669 121.867 121.223 -0.042 0.000 2.505 640 L HA 0.387 4.719 4.340 -0.013 0.000 0.266 640 L C -1.579 175.269 176.870 -0.037 0.000 0.954 640 L CA -0.480 54.336 54.840 -0.042 0.000 0.852 640 L CB 1.801 43.848 42.059 -0.020 0.000 1.282 640 L HN -0.180 nan 8.230 nan 0.000 0.403 641 R N 3.892 124.359 120.500 -0.056 0.000 2.628 641 R HA 0.782 5.115 4.340 -0.013 0.000 0.288 641 R C -1.643 174.607 176.300 -0.083 0.000 0.980 641 R CA -0.798 55.260 56.100 -0.070 0.000 0.891 641 R CB 2.435 32.696 30.300 -0.065 0.000 1.188 641 R HN 0.414 nan 8.270 nan 0.000 0.450 642 V N 4.761 124.623 119.914 -0.087 0.000 2.407 642 V HA 0.498 4.610 4.120 -0.013 0.000 0.291 642 V C -0.308 175.745 176.094 -0.068 0.000 1.018 642 V CA -0.720 61.531 62.300 -0.082 0.000 0.842 642 V CB 1.625 33.397 31.823 -0.086 0.000 0.996 642 V HN 0.550 nan 8.190 nan 0.000 0.426 643 I N 4.763 125.294 120.570 -0.064 0.000 2.465 643 I HA 0.443 4.605 4.170 -0.013 0.000 0.291 643 I C -0.679 175.430 176.117 -0.013 0.000 1.014 643 I CA -0.336 60.938 61.300 -0.044 0.000 1.093 643 I CB 1.992 39.944 38.000 -0.080 0.000 1.267 643 I HN 0.559 nan 8.210 nan 0.000 0.431 644 F N 7.064 126.949 119.950 -0.109 0.000 2.404 644 F HA 0.460 4.980 4.527 -0.012 0.000 0.358 644 F C -0.509 175.223 175.800 -0.114 0.000 1.120 644 F CA -0.616 57.320 58.000 -0.106 0.000 1.144 644 F CB 0.627 39.567 39.000 -0.099 0.000 1.133 644 F HN 0.169 nan 8.300 nan 0.000 0.495 645 L N 6.257 127.093 121.223 -0.645 0.000 2.342 645 L HA 0.155 4.488 4.340 -0.013 0.000 0.285 645 L C 0.289 176.876 176.870 -0.472 0.000 1.095 645 L CA 0.119 54.694 54.840 -0.442 0.000 0.843 645 L CB 0.157 42.043 42.059 -0.288 0.000 1.201 645 L HN 0.608 nan 8.230 nan 0.000 0.445 646 E N 3.460 123.514 120.200 -0.244 0.000 2.373 646 E HA -0.017 4.325 4.350 -0.013 0.000 0.267 646 E C 0.462 177.098 176.600 0.060 0.000 1.032 646 E CA -0.261 56.137 56.400 -0.003 0.000 0.889 646 E CB 0.346 30.038 29.700 -0.014 0.000 0.984 646 E HN 0.547 nan 8.360 nan 0.000 0.425 647 N N 2.489 121.289 118.700 0.167 0.000 2.740 647 N HA -0.278 4.454 4.740 -0.013 0.000 0.248 647 N C -1.524 174.073 175.510 0.144 0.000 1.062 647 N CA 0.562 53.713 53.050 0.168 0.000 0.704 647 N CB -1.735 36.868 38.487 0.194 0.000 0.968 647 N HN 0.513 nan 8.380 nan 0.000 0.547 648 Y N 1.557 121.858 120.300 0.003 0.000 2.721 648 Y HA 0.161 4.703 4.550 -0.013 0.000 0.329 648 Y C 1.157 177.073 175.900 0.026 0.000 1.211 648 Y CA 0.835 58.929 58.100 -0.011 0.000 1.512 648 Y CB 0.308 38.731 38.460 -0.063 0.000 1.249 648 Y HN 0.382 nan 8.280 nan 0.000 0.549 649 R N 2.347 122.484 120.500 -0.606 0.000 2.756 649 R HA 0.416 4.748 4.340 -0.013 0.000 0.273 649 R C -0.606 175.365 176.300 -0.549 0.000 1.030 649 R CA -0.560 55.283 56.100 -0.427 0.000 0.887 649 R CB 0.252 30.484 30.300 -0.113 0.000 1.274 649 R HN 0.354 nan 8.270 nan 0.000 0.461 650 V N 1.101 120.745 119.914 -0.450 0.000 2.287 650 V HA -0.291 3.822 4.120 -0.013 0.000 0.248 650 V C 2.599 178.569 176.094 -0.206 0.000 1.053 650 V CA 2.837 64.928 62.300 -0.347 0.000 1.027 650 V CB -0.839 30.762 31.823 -0.369 0.000 0.646 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N 0.088 115.686 115.700 -0.169 0.000 2.399 651 S HA -0.196 4.266 4.470 -0.013 0.000 0.231 651 S C 1.935 176.482 174.600 -0.088 0.000 1.022 651 S CA 1.749 59.877 58.200 -0.120 0.000 0.983 651 S CB -0.559 62.597 63.200 -0.072 0.000 0.803 651 S HN 0.391 nan 8.310 nan 0.000 0.480 652 L N 1.929 123.110 121.223 -0.071 0.000 2.109 652 L HA 0.311 4.644 4.340 -0.013 0.000 0.207 652 L C 2.714 179.609 176.870 0.041 0.000 1.086 652 L CA 1.386 56.235 54.840 0.015 0.000 0.760 652 L CB -1.258 40.868 42.059 0.112 0.000 0.910 652 L HN 0.357 nan 8.230 nan 0.000 0.437 653 A N -0.683 122.127 122.820 -0.017 0.000 1.940 653 A HA -0.253 4.059 4.320 -0.013 0.000 0.219 653 A C 2.137 179.790 177.584 0.114 0.000 1.176 653 A CA 1.935 54.041 52.037 0.116 0.000 0.631 653 A CB -0.621 18.436 19.000 0.094 0.000 0.814 653 A HN 0.601 nan 8.150 nan 0.000 0.446 654 E N -0.501 119.737 120.200 0.063 0.000 2.268 654 E HA -0.151 4.191 4.350 -0.013 0.000 0.195 654 E C 1.890 178.461 176.600 -0.048 0.000 0.995 654 E CA 1.161 57.554 56.400 -0.011 0.000 0.836 654 E CB -0.040 29.561 29.700 -0.165 0.000 0.763 654 E HN 0.634 nan 8.360 nan 0.000 0.491 655 K N 0.026 120.388 120.400 -0.063 0.000 2.141 655 K HA 0.029 4.341 4.320 -0.013 0.000 0.202 655 K C 2.156 178.636 176.600 -0.201 0.000 1.045 655 K CA 0.422 56.671 56.287 -0.063 0.000 0.971 655 K CB 0.015 32.476 32.500 -0.065 0.000 0.795 655 K HN -0.050 nan 8.250 nan 0.000 0.459 656 V N 1.922 121.635 119.914 -0.335 0.000 2.488 656 V HA -0.133 3.979 4.120 -0.013 0.000 0.246 656 V C 1.916 177.775 176.094 -0.391 0.000 1.046 656 V CA 1.224 63.091 62.300 -0.722 0.000 1.053 656 V CB -0.159 31.336 31.823 -0.547 0.000 0.679 656 V HN 0.232 nan 8.190 nan 0.000 0.458 657 I N 0.740 121.130 120.570 -0.299 0.000 2.163 657 I HA -0.140 4.023 4.170 -0.013 0.000 0.243 657 I C -0.219 175.769 176.117 -0.215 0.000 1.085 657 I CA 1.711 62.749 61.300 -0.437 0.000 1.347 657 I CB -1.579 36.035 38.000 -0.643 0.000 1.044 657 I HN 0.363 nan 8.210 nan 0.000 0.408 658 P HA -0.126 nan 4.420 nan 0.000 0.222 658 P C 1.036 178.328 177.300 -0.013 0.000 1.147 658 P CA 1.304 64.378 63.100 -0.045 0.000 0.790 658 P CB -0.003 31.683 31.700 -0.024 0.000 0.780 659 A N -1.023 121.772 122.820 -0.041 0.000 2.218 659 A HA 0.413 4.725 4.320 -0.013 0.000 0.209 659 A C 1.241 178.913 177.584 0.146 0.000 1.168 659 A CA 0.239 52.302 52.037 0.043 0.000 0.804 659 A CB -0.762 18.256 19.000 0.031 0.000 0.834 659 A HN 0.213 nan 8.150 nan 0.000 0.482 660 A N -0.043 122.864 122.820 0.146 0.000 2.354 660 A HA 0.459 4.771 4.320 -0.013 0.000 0.269 660 A C 0.373 178.105 177.584 0.246 0.000 1.109 660 A CA -0.148 52.046 52.037 0.262 0.000 0.800 660 A CB 0.333 19.590 19.000 0.429 0.000 1.045 660 A HN 0.278 nan 8.150 nan 0.000 0.489 661 D N 0.471 121.020 120.400 0.249 0.000 2.338 661 D HA 0.119 4.751 4.640 -0.013 0.000 0.224 661 D C 0.071 176.595 176.300 0.374 0.000 0.967 661 D CA 0.783 54.984 54.000 0.335 0.000 0.896 661 D CB 0.278 41.195 40.800 0.195 0.000 1.028 661 D HN 0.366 nan 8.370 nan 0.000 0.493 662 L N 0.993 122.324 121.223 0.180 0.000 2.381 662 L HA 0.298 4.631 4.340 -0.013 0.000 0.274 662 L C -0.889 175.890 176.870 -0.150 0.000 0.988 662 L CA -0.310 54.566 54.840 0.061 0.000 0.824 662 L CB 2.131 44.201 42.059 0.018 0.000 1.263 662 L HN -0.186 nan 8.230 nan 0.000 0.410 663 S N 4.212 119.742 115.700 -0.284 0.000 2.429 663 S HA 0.341 4.803 4.470 -0.013 0.000 0.302 663 S C -0.437 173.921 174.600 -0.402 0.000 1.115 663 S CA -0.671 57.125 58.200 -0.674 0.000 1.095 663 S CB 0.679 63.426 63.200 -0.755 0.000 0.987 663 S HN 0.558 nan 8.310 nan 0.000 0.474 664 E N 4.129 124.094 120.200 -0.392 0.000 2.089 664 E HA 0.208 4.551 4.350 -0.013 0.000 0.284 664 E C -0.551 175.943 176.600 -0.177 0.000 1.023 664 E CA -0.419 55.869 56.400 -0.187 0.000 0.819 664 E CB 0.984 30.600 29.700 -0.139 0.000 1.076 664 E HN 0.599 nan 8.360 nan 0.000 0.396 665 Q N 2.826 122.578 119.800 -0.081 0.000 2.907 665 Q HA 0.271 4.603 4.340 -0.013 0.000 0.262 665 Q C 0.603 176.582 176.000 -0.034 0.000 0.997 665 Q CA -0.130 55.630 55.803 -0.072 0.000 0.797 665 Q CB 0.237 28.941 28.738 -0.055 0.000 1.228 665 Q HN 0.616 nan 8.270 nan 0.000 0.466 666 I N -1.772 118.764 120.570 -0.057 0.000 3.654 666 I HA 0.270 4.433 4.170 -0.013 0.000 0.337 666 I C 0.390 176.446 176.117 -0.101 0.000 1.568 666 I CA -0.693 60.584 61.300 -0.039 0.000 1.115 666 I CB 0.489 38.475 38.000 -0.024 0.000 1.300 666 I HN -0.004 nan 8.210 nan 0.000 0.471 667 S N 0.453 116.092 115.700 -0.102 0.000 2.573 667 S HA 0.164 4.627 4.470 -0.013 0.000 0.277 667 S C 0.587 175.158 174.600 -0.047 0.000 1.346 667 S CA -0.257 57.900 58.200 -0.072 0.000 1.034 667 S CB 0.237 63.439 63.200 0.004 0.000 0.879 667 S HN 0.394 nan 8.310 nan 0.000 0.528 668 T N 2.729 117.289 114.554 0.010 0.000 2.902 668 T HA 0.371 4.713 4.350 -0.013 0.000 0.301 668 T C 0.758 175.466 174.700 0.012 0.000 1.012 668 T CA 0.246 62.362 62.100 0.028 0.000 1.151 668 T CB -0.009 68.945 68.868 0.143 0.000 0.946 668 T HN 1.017 nan 8.240 nan 0.000 0.542 669 A N 2.665 125.462 122.820 -0.038 0.000 2.566 669 A HA 0.452 4.764 4.320 -0.013 0.000 0.245 669 A C 1.636 179.213 177.584 -0.010 0.000 1.056 669 A CA 0.288 52.299 52.037 -0.043 0.000 0.757 669 A CB -0.923 18.039 19.000 -0.064 0.000 0.979 669 A HN 1.729 nan 8.150 nan 0.000 0.508 670 G N 1.420 110.214 108.800 -0.010 0.000 2.176 670 G HA2 -0.234 3.719 3.960 -0.013 0.000 0.232 670 G HA3 -0.234 3.719 3.960 -0.013 0.000 0.232 670 G C 0.843 175.738 174.900 -0.008 0.000 0.986 670 G CA 1.091 46.189 45.100 -0.004 0.000 0.643 670 G HN 1.962 nan 8.290 nan 0.000 0.522 671 T N -2.465 112.085 114.554 -0.007 0.000 3.038 671 T HA 0.403 4.745 4.350 -0.013 0.000 0.244 671 T C 0.764 175.342 174.700 -0.203 0.000 1.016 671 T CA 1.057 63.102 62.100 -0.091 0.000 1.098 671 T CB 0.523 69.396 68.868 0.010 0.000 0.954 671 T HN 0.286 nan 8.240 nan 0.000 0.469 672 E N 1.567 121.769 120.200 0.003 0.000 1.996 672 E HA 0.657 5.000 4.350 -0.013 0.000 0.280 672 E C 1.176 177.733 176.600 -0.071 0.000 1.092 672 E CA 0.077 56.514 56.400 0.060 0.000 0.862 672 E CB 0.750 30.536 29.700 0.143 0.000 1.066 672 E HN 0.359 nan 8.360 nan 0.000 0.396 673 A N 3.426 126.125 122.820 -0.202 0.000 1.903 673 A HA -0.228 4.084 4.320 -0.013 0.000 0.219 673 A C 2.007 179.471 177.584 -0.200 0.000 1.191 673 A CA 2.291 54.078 52.037 -0.416 0.000 0.638 673 A CB -0.320 18.150 19.000 -0.883 0.000 0.823 673 A HN 0.602 nan 8.150 nan 0.000 0.451 674 S N -3.813 111.821 115.700 -0.110 0.000 3.792 674 S HA 0.456 4.919 4.470 -0.013 0.000 0.229 674 S C 0.745 175.331 174.600 -0.023 0.000 1.118 674 S CA 1.449 59.629 58.200 -0.033 0.000 0.877 674 S CB -0.107 63.096 63.200 0.004 0.000 1.077 674 S HN 2.262 nan 8.310 nan 0.000 0.546 675 G N 0.355 109.148 108.800 -0.011 0.000 2.716 675 G HA2 -0.083 3.869 3.960 -0.013 0.000 0.686 675 G HA3 -0.083 3.869 3.960 -0.013 0.000 0.686 675 G C 0.263 175.145 174.900 -0.030 0.000 1.337 675 G CA 0.471 45.562 45.100 -0.016 0.000 0.829 675 G HN 1.298 nan 8.290 nan 0.000 0.599 676 T N -1.933 112.591 114.554 -0.049 0.000 3.010 676 T HA 0.382 4.724 4.350 -0.013 0.000 0.253 676 T C 2.417 177.022 174.700 -0.158 0.000 0.939 676 T CA 1.278 63.322 62.100 -0.095 0.000 0.910 676 T CB 0.202 69.010 68.868 -0.100 0.000 1.226 676 T HN 1.926 nan 8.240 nan 0.000 0.508 677 G N 3.272 112.005 108.800 -0.111 0.000 2.469 677 G HA2 -0.321 3.632 3.960 -0.013 0.000 0.219 677 G HA3 -0.321 3.632 3.960 -0.013 0.000 0.219 677 G C 1.468 176.424 174.900 0.093 0.000 1.150 677 G CA 1.320 46.385 45.100 -0.058 0.000 0.763 677 G HN 0.844 nan 8.290 nan 0.000 0.561 678 N N -0.097 118.629 118.700 0.043 0.000 2.091 678 N HA -0.120 4.612 4.740 -0.013 0.000 0.193 678 N C 1.459 176.970 175.510 0.002 0.000 1.021 678 N CA 0.718 53.789 53.050 0.035 0.000 0.862 678 N CB -0.344 38.117 38.487 -0.044 0.000 1.018 678 N HN 0.350 nan 8.380 nan 0.000 0.429 682 M N 0.245 119.921 119.600 0.126 0.000 2.117 682 M HA -0.137 4.335 4.480 -0.013 0.000 0.262 682 M C 1.944 178.287 176.300 0.071 0.000 1.065 682 M CA 1.763 57.104 55.300 0.068 0.000 1.114 682 M CB -0.045 32.595 32.600 0.066 0.000 1.361 682 M HN 0.307 nan 8.290 nan 0.000 0.408 683 L N 0.653 121.919 121.223 0.072 0.000 2.291 683 L HA -0.066 4.266 4.340 -0.013 0.000 0.214 683 L C 1.279 178.187 176.870 0.064 0.000 1.120 683 L CA 1.555 56.445 54.840 0.083 0.000 0.799 683 L CB -0.557 41.562 42.059 0.101 0.000 0.925 683 L HN 0.340 nan 8.230 nan 0.000 0.446 684 N N -0.406 118.321 118.700 0.045 0.000 2.214 684 N HA 0.181 4.914 4.740 -0.013 0.000 0.214 684 N C 0.828 176.365 175.510 0.045 0.000 1.132 684 N CA 0.778 53.849 53.050 0.033 0.000 0.856 684 N CB 0.683 39.167 38.487 -0.006 0.000 1.020 684 N HN 0.364 nan 8.380 nan 0.000 0.509 685 G N 0.659 109.489 108.800 0.050 0.000 2.142 685 G HA2 -0.194 3.759 3.960 -0.013 0.000 0.225 685 G HA3 -0.194 3.759 3.960 -0.013 0.000 0.225 685 G C -0.018 174.937 174.900 0.092 0.000 1.015 685 G CA 0.133 45.262 45.100 0.047 0.000 0.716 685 G HN 0.507 nan 8.290 nan 0.000 0.508 686 A N -0.288 122.597 122.820 0.108 0.000 2.312 686 A HA 0.880 5.192 4.320 -0.013 0.000 0.328 686 A C 0.444 178.013 177.584 -0.026 0.000 1.158 686 A CA -0.610 51.509 52.037 0.137 0.000 0.821 686 A CB 0.984 20.136 19.000 0.254 0.000 1.170 686 A HN 0.717 nan 8.150 nan 0.000 0.490 687 L N 0.781 121.950 121.223 -0.089 0.000 2.421 687 L HA 0.444 4.776 4.340 -0.013 0.000 0.263 687 L C 0.187 176.942 176.870 -0.192 0.000 1.122 687 L CA -0.334 54.349 54.840 -0.263 0.000 0.804 687 L CB 1.464 43.284 42.059 -0.397 0.000 1.150 687 L HN 0.681 nan 8.230 nan 0.000 0.457 688 T N 2.678 117.025 114.554 -0.345 0.000 2.779 688 T HA 0.443 4.786 4.350 -0.013 0.000 0.280 688 T C -0.380 174.328 174.700 0.013 0.000 0.987 688 T CA -0.251 61.700 62.100 -0.248 0.000 0.966 688 T CB 1.389 70.027 68.868 -0.383 0.000 0.933 688 T HN 0.341 nan 8.240 nan 0.000 0.442 689 I N 3.179 123.796 120.570 0.078 0.000 2.321 689 I HA 0.701 4.864 4.170 -0.013 0.000 0.291 689 I C 0.172 176.464 176.117 0.292 0.000 0.998 689 I CA 0.159 61.597 61.300 0.230 0.000 1.227 689 I CB 0.280 38.339 38.000 0.099 0.000 1.368 689 I HN 0.777 nan 8.210 nan 0.000 0.466 690 G N 3.967 113.001 108.800 0.389 0.000 2.646 690 G HA2 0.437 4.389 3.960 -0.013 0.000 0.291 690 G HA3 0.437 4.389 3.960 -0.013 0.000 0.291 690 G C -0.895 173.921 174.900 -0.141 0.000 1.445 690 G CA -0.440 44.774 45.100 0.190 0.000 0.814 690 G HN 0.585 nan 8.290 nan 0.000 0.495 691 T N -1.212 113.124 114.554 -0.364 0.000 2.849 691 T HA 0.480 4.823 4.350 -0.013 0.000 0.284 691 T C 0.799 175.369 174.700 -0.217 0.000 1.004 691 T CA -0.650 61.166 62.100 -0.474 0.000 1.021 691 T CB 1.057 69.664 68.868 -0.435 0.000 1.013 691 T HN 0.263 nan 8.240 nan 0.000 0.527 692 M N 2.915 122.402 119.600 -0.189 0.000 3.442 692 M HA 0.301 4.774 4.480 -0.013 0.000 0.232 692 M C -0.399 175.843 176.300 -0.098 0.000 1.508 692 M CA 0.004 55.231 55.300 -0.121 0.000 1.647 692 M CB -1.870 30.670 32.600 -0.100 0.000 1.126 692 M HN 0.735 nan 8.290 nan 0.000 0.557 693 D N -0.060 120.287 120.400 -0.088 0.000 2.671 693 D HA 0.669 5.301 4.640 -0.013 0.000 0.232 693 D C 0.701 176.974 176.300 -0.045 0.000 1.114 693 D CA 0.736 54.700 54.000 -0.060 0.000 0.858 693 D CB 1.695 42.461 40.800 -0.057 0.000 1.544 693 D HN 0.595 nan 8.370 nan 0.000 0.471 694 G N 1.798 110.582 108.800 -0.026 0.000 2.614 694 G HA2 -0.258 3.695 3.960 -0.013 0.000 0.303 694 G HA3 -0.258 3.695 3.960 -0.013 0.000 0.303 694 G C 1.049 175.937 174.900 -0.019 0.000 1.270 694 G CA 1.156 46.245 45.100 -0.019 0.000 0.988 694 G HN 1.075 nan 8.290 nan 0.000 0.551 695 A N -0.365 122.437 122.820 -0.029 0.000 2.167 695 A HA 0.097 4.409 4.320 -0.013 0.000 0.214 695 A C 2.118 179.634 177.584 -0.114 0.000 1.151 695 A CA 1.830 53.843 52.037 -0.039 0.000 0.735 695 A CB -0.454 18.510 19.000 -0.060 0.000 0.802 695 A HN 0.638 nan 8.150 nan 0.000 0.467 696 N N 0.638 119.274 118.700 -0.106 0.000 2.132 696 N HA -0.168 4.564 4.740 -0.013 0.000 0.191 696 N C 1.594 176.985 175.510 -0.198 0.000 1.015 696 N CA 1.668 54.645 53.050 -0.121 0.000 0.864 696 N CB -0.681 37.771 38.487 -0.058 0.000 1.006 696 N HN 0.295 nan 8.380 nan 0.000 0.430 697 V N 1.194 121.030 119.914 -0.130 0.000 2.287 697 V HA -0.220 3.893 4.120 -0.013 0.000 0.248 697 V C 1.998 178.021 176.094 -0.118 0.000 1.053 697 V CA 1.733 63.957 62.300 -0.125 0.000 1.027 697 V CB -0.498 31.284 31.823 -0.070 0.000 0.646 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.627 119.554 120.200 -0.031 0.000 2.158 698 E HA -0.120 4.223 4.350 -0.013 0.000 0.191 698 E C 2.227 178.932 176.600 0.175 0.000 0.982 698 E CA 1.004 57.462 56.400 0.096 0.000 0.823 698 E CB -0.186 29.657 29.700 0.238 0.000 0.766 698 E HN 0.538 nan 8.360 nan 0.000 0.468 699 M N 0.591 120.183 119.600 -0.013 0.000 2.086 699 M HA -0.176 4.296 4.480 -0.013 0.000 0.261 699 M C 2.523 178.509 176.300 -0.524 0.000 1.067 699 M CA 1.673 56.871 55.300 -0.169 0.000 1.116 699 M CB -0.268 32.134 32.600 -0.329 0.000 1.348 699 M HN 0.143 nan 8.290 nan 0.000 0.407 700 A N -0.151 122.080 122.820 -0.982 0.000 1.933 700 A HA -0.228 4.084 4.320 -0.013 0.000 0.218 700 A C 1.992 179.344 177.584 -0.387 0.000 1.175 700 A CA 2.023 53.435 52.037 -1.041 0.000 0.628 700 A CB -0.847 17.685 19.000 -0.780 0.000 0.814 700 A HN 0.598 nan 8.150 nan 0.000 0.444 701 E N -0.432 119.631 120.200 -0.228 0.000 2.077 701 E HA -0.222 4.121 4.350 -0.013 0.000 0.193 701 E C 1.824 178.391 176.600 -0.055 0.000 0.989 701 E CA 1.303 57.640 56.400 -0.105 0.000 0.800 701 E CB -0.075 29.587 29.700 -0.065 0.000 0.746 701 E HN 0.554 nan 8.360 nan 0.000 0.452 702 E N 0.072 120.266 120.200 -0.011 0.000 2.047 702 E HA -0.142 4.201 4.350 -0.013 0.000 0.191 702 E C 1.866 178.494 176.600 0.047 0.000 0.987 702 E CA 1.187 57.609 56.400 0.037 0.000 0.799 702 E CB -0.208 29.570 29.700 0.129 0.000 0.752 702 E HN 0.370 nan 8.360 nan 0.000 0.449 703 A N 0.317 123.174 122.820 0.062 0.000 2.072 703 A HA 0.333 4.646 4.320 -0.013 0.000 0.216 703 A C 1.059 178.680 177.584 0.062 0.000 1.156 703 A CA 1.111 53.218 52.037 0.116 0.000 0.701 703 A CB -0.007 19.175 19.000 0.304 0.000 0.816 703 A HN 0.261 nan 8.150 nan 0.000 0.458 704 G N -0.600 108.202 108.800 0.003 0.000 3.055 704 G HA2 -0.098 3.855 3.960 -0.013 0.000 0.686 704 G HA3 -0.098 3.855 3.960 -0.013 0.000 0.686 704 G C -0.017 174.878 174.900 -0.010 0.000 1.087 704 G CA 0.009 45.101 45.100 -0.012 0.000 0.779 704 G HN 0.239 nan 8.290 nan 0.000 0.599 705 E N 0.930 121.104 120.200 -0.042 0.000 2.209 705 E HA -0.168 4.174 4.350 -0.013 0.000 0.196 705 E C 2.068 178.658 176.600 -0.017 0.000 0.993 705 E CA 1.745 58.124 56.400 -0.034 0.000 0.819 705 E CB 0.086 29.762 29.700 -0.041 0.000 0.745 705 E HN 0.769 nan 8.360 nan 0.000 0.477 706 E N 0.711 120.891 120.200 -0.034 0.000 2.268 706 E HA -0.107 4.236 4.350 -0.013 0.000 0.195 706 E C 1.053 177.568 176.600 -0.142 0.000 0.995 706 E CA 0.705 57.062 56.400 -0.071 0.000 0.836 706 E CB -0.021 29.649 29.700 -0.050 0.000 0.763 706 E HN 0.150 nan 8.360 nan 0.000 0.491 707 N N -0.368 118.283 118.700 -0.081 0.000 2.251 707 N HA 0.138 4.871 4.740 -0.013 0.000 0.217 707 N C -0.887 174.519 175.510 -0.174 0.000 1.124 707 N CA 0.140 53.107 53.050 -0.140 0.000 0.843 707 N CB 0.376 38.843 38.487 -0.032 0.000 1.024 707 N HN 0.040 nan 8.380 nan 0.000 0.501 708 F N -0.495 119.226 119.950 -0.381 0.000 2.588 708 F HA 0.420 4.939 4.527 -0.014 0.000 0.314 708 F C -0.517 175.018 175.800 -0.442 0.000 1.069 708 F CA -1.098 56.705 58.000 -0.329 0.000 0.931 708 F CB 1.256 40.171 39.000 -0.141 0.000 1.260 708 F HN -0.220 nan 8.300 nan 0.000 0.465 709 F N 4.035 124.041 119.950 0.093 0.000 2.359 709 F HA 0.448 4.968 4.527 -0.012 0.000 0.355 709 F C -0.188 175.749 175.800 0.228 0.000 1.132 709 F CA -0.458 57.609 58.000 0.112 0.000 1.246 709 F CB 0.003 39.021 39.000 0.031 0.000 1.569 709 F HN 0.055 nan 8.300 nan 0.000 0.561 710 I N 3.922 124.683 120.570 0.318 0.000 2.396 710 I HA 0.400 4.563 4.170 -0.013 0.000 0.292 710 I C -0.263 176.030 176.117 0.293 0.000 0.999 710 I CA -0.620 60.823 61.300 0.240 0.000 1.310 710 I CB 0.803 38.865 38.000 0.103 0.000 1.404 710 I HN 0.348 nan 8.210 nan 0.000 0.496 711 F N 3.663 123.672 119.950 0.099 0.000 2.685 711 F HA 0.939 5.458 4.527 -0.013 0.000 0.315 711 F C 0.031 175.867 175.800 0.060 0.000 1.126 711 F CA -0.645 57.406 58.000 0.084 0.000 0.950 711 F CB 1.001 40.066 39.000 0.109 0.000 1.360 711 F HN 0.781 nan 8.300 nan 0.000 0.469 712 G N 1.062 109.931 108.800 0.116 0.000 2.757 712 G HA2 -0.083 3.870 3.960 -0.013 0.000 0.638 712 G HA3 -0.083 3.870 3.960 -0.013 0.000 0.638 712 G C -0.849 174.023 174.900 -0.045 0.000 1.344 712 G CA -0.633 44.474 45.100 0.012 0.000 0.855 712 G HN 0.965 nan 8.290 nan 0.000 0.537 713 M N 0.887 120.471 119.600 -0.027 0.000 2.250 713 M HA 0.178 4.650 4.480 -0.013 0.000 0.337 713 M C 1.217 177.481 176.300 -0.060 0.000 1.161 713 M CA 0.114 55.403 55.300 -0.018 0.000 1.088 713 M CB 0.222 32.820 32.600 -0.003 0.000 1.639 713 M HN 0.515 nan 8.290 nan 0.000 0.447 714 R N 1.858 122.337 120.500 -0.036 0.000 2.546 714 R HA 0.243 4.575 4.340 -0.013 0.000 0.266 714 R C 1.248 177.528 176.300 -0.032 0.000 1.086 714 R CA -0.567 55.507 56.100 -0.043 0.000 1.160 714 R CB -0.060 30.222 30.300 -0.031 0.000 1.138 714 R HN 0.582 nan 8.270 nan 0.000 0.567 715 V N 1.579 121.473 119.914 -0.033 0.000 2.278 715 V HA -0.305 3.807 4.120 -0.013 0.000 0.251 715 V C 1.897 177.981 176.094 -0.016 0.000 1.062 715 V CA 2.190 64.475 62.300 -0.025 0.000 1.038 715 V CB -0.469 31.338 31.823 -0.027 0.000 0.646 715 V HN 0.645 nan 8.190 nan 0.000 0.447 716 E N 0.006 120.198 120.200 -0.014 0.000 2.110 716 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 716 E C 1.951 178.555 176.600 0.006 0.000 0.988 716 E CA 1.380 57.777 56.400 -0.005 0.000 0.804 716 E CB -0.351 29.347 29.700 -0.004 0.000 0.745 716 E HN 0.639 nan 8.360 nan 0.000 0.458 717 D N -0.215 120.191 120.400 0.009 0.000 2.144 717 D HA -0.088 4.544 4.640 -0.013 0.000 0.200 717 D C 1.962 178.279 176.300 0.029 0.000 0.978 717 D CA 0.746 54.762 54.000 0.026 0.000 0.833 717 D CB -0.045 40.774 40.800 0.031 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.848 121.767 119.914 0.008 0.000 2.295 718 V HA -0.208 3.904 4.120 -0.013 0.000 0.246 718 V C 1.942 178.039 176.094 0.005 0.000 1.049 718 V CA 1.682 63.980 62.300 -0.003 0.000 1.024 718 V CB -0.399 31.412 31.823 -0.021 0.000 0.648 718 V HN 0.024 nan 8.190 nan 0.000 0.447 719 D N -0.122 120.280 120.400 0.004 0.000 2.117 719 D HA -0.142 4.490 4.640 -0.013 0.000 0.197 719 D C 2.405 178.717 176.300 0.021 0.000 0.987 719 D CA 1.159 55.163 54.000 0.006 0.000 0.829 719 D CB -0.273 40.526 40.800 -0.001 0.000 0.961 719 D HN 0.333 nan 8.370 nan 0.000 0.460 720 R N 0.058 120.575 120.500 0.028 0.000 2.091 720 R HA -0.030 4.303 4.340 -0.013 0.000 0.238 720 R C 2.453 178.790 176.300 0.061 0.000 1.136 720 R CA 0.541 56.665 56.100 0.041 0.000 0.959 720 R CB -0.313 30.013 30.300 0.043 0.000 0.856 720 R HN 0.202 nan 8.270 nan 0.000 0.437 721 L N 0.476 121.744 121.223 0.076 0.000 2.093 721 L HA -0.185 4.148 4.340 -0.013 0.000 0.208 721 L C 1.432 178.370 176.870 0.114 0.000 1.085 721 L CA 1.275 56.188 54.840 0.122 0.000 0.755 721 L CB -0.224 41.927 42.059 0.152 0.000 0.904 721 L HN 0.220 nan 8.230 nan 0.000 0.435 722 D N -0.459 119.982 120.400 0.068 0.000 2.144 722 D HA -0.210 4.422 4.640 -0.013 0.000 0.199 722 D C 2.194 178.525 176.300 0.052 0.000 0.984 722 D CA 1.138 55.170 54.000 0.053 0.000 0.834 722 D CB 0.005 40.816 40.800 0.017 0.000 0.955 722 D HN 0.415 nan 8.370 nan 0.000 0.465 723 Q N -0.055 119.771 119.800 0.043 0.000 2.119 723 Q HA -0.077 4.255 4.340 -0.013 0.000 0.201 723 Q C 2.227 178.253 176.000 0.043 0.000 0.972 723 Q CA 0.859 56.684 55.803 0.036 0.000 0.847 723 Q CB 0.090 28.846 28.738 0.029 0.000 0.903 723 Q HN 0.127 nan 8.270 nan 0.000 0.433 724 R N -0.316 120.218 120.500 0.056 0.000 2.093 724 R HA 0.021 4.353 4.340 -0.013 0.000 0.224 724 R C -0.178 176.161 176.300 0.065 0.000 1.101 724 R CA 0.964 57.098 56.100 0.057 0.000 0.979 724 R CB 0.284 30.623 30.300 0.066 0.000 0.877 724 R HN 0.250 nan 8.270 nan 0.000 0.441 725 G N -0.009 108.845 108.800 0.090 0.000 3.367 725 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.686 725 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.686 725 G C -1.413 173.580 174.900 0.154 0.000 1.146 725 G CA -0.359 44.803 45.100 0.103 0.000 0.913 725 G HN 0.282 nan 8.290 nan 0.000 0.554 726 Y N 3.694 124.030 120.300 0.059 0.000 2.531 726 Y HA 0.488 5.030 4.550 -0.013 0.000 0.347 726 Y C 0.581 176.541 175.900 0.099 0.000 1.024 726 Y CA -0.474 57.681 58.100 0.092 0.000 1.306 726 Y CB 0.699 39.195 38.460 0.060 0.000 1.149 726 Y HN 0.570 nan 8.280 nan 0.000 0.527 727 N N 5.126 123.621 118.700 -0.342 0.000 2.558 727 N HA 0.349 5.082 4.740 -0.013 0.000 0.242 727 N C 0.298 175.569 175.510 -0.398 0.000 0.979 727 N CA 0.189 53.044 53.050 -0.325 0.000 0.931 727 N CB 1.135 39.551 38.487 -0.119 0.000 1.122 727 N HN 0.874 nan 8.380 nan 0.000 0.508 728 A N 2.984 125.487 122.820 -0.529 0.000 1.972 728 A HA -0.202 4.111 4.320 -0.013 0.000 0.219 728 A C 2.004 179.716 177.584 0.213 0.000 1.169 728 A CA 1.203 53.147 52.037 -0.156 0.000 0.635 728 A CB -0.346 18.459 19.000 -0.326 0.000 0.810 728 A HN 0.769 nan 8.150 nan 0.000 0.446 729 Q N 0.307 120.127 119.800 0.034 0.000 2.135 729 Q HA -0.233 4.099 4.340 -0.013 0.000 0.204 729 Q C 1.876 177.952 176.000 0.127 0.000 0.981 729 Q CA 2.253 58.101 55.803 0.075 0.000 0.856 729 Q CB -0.350 28.387 28.738 -0.003 0.000 0.902 729 Q HN 0.781 nan 8.270 nan 0.000 0.425 730 E N -1.292 118.918 120.200 0.016 0.000 2.049 730 E HA -0.263 4.079 4.350 -0.013 0.000 0.198 730 E C 1.607 178.140 176.600 -0.112 0.000 1.007 730 E CA 1.678 58.011 56.400 -0.110 0.000 0.809 730 E CB -0.294 29.230 29.700 -0.293 0.000 0.749 730 E HN 0.604 nan 8.360 nan 0.000 0.450 731 Y N -1.037 119.332 120.300 0.115 0.000 2.200 731 Y HA -0.216 4.326 4.550 -0.013 0.000 0.290 731 Y C 2.293 178.197 175.900 0.007 0.000 1.137 731 Y CA 1.568 59.723 58.100 0.092 0.000 1.163 731 Y CB -0.768 37.798 38.460 0.177 0.000 0.988 731 Y HN 0.239 nan 8.280 nan 0.000 0.518 732 Y N 1.385 121.729 120.300 0.074 0.000 2.114 732 Y HA -0.309 4.234 4.550 -0.013 0.000 0.282 732 Y C 1.919 177.795 175.900 -0.039 0.000 1.165 732 Y CA 1.964 60.034 58.100 -0.050 0.000 1.148 732 Y CB -0.410 38.077 38.460 0.045 0.000 0.972 732 Y HN 0.091 nan 8.280 nan 0.000 0.504 733 D N -0.377 120.110 120.400 0.145 0.000 2.178 733 D HA -0.112 4.520 4.640 -0.013 0.000 0.202 733 D C 1.867 178.140 176.300 -0.045 0.000 0.974 733 D CA 1.329 55.356 54.000 0.045 0.000 0.841 733 D CB -0.119 40.728 40.800 0.079 0.000 0.953 733 D HN 0.489 nan 8.370 nan 0.000 0.478 734 R N -0.303 120.173 120.500 -0.039 0.000 2.334 734 R HA 0.285 4.617 4.340 -0.013 0.000 0.212 734 R C 0.322 176.603 176.300 -0.032 0.000 0.897 734 R CA 0.066 56.144 56.100 -0.037 0.000 1.056 734 R CB 1.149 31.426 30.300 -0.038 0.000 1.046 734 R HN 0.143 nan 8.270 nan 0.000 0.513 735 I N 2.118 122.652 120.570 -0.061 0.000 2.437 735 I HA 0.229 4.391 4.170 -0.013 0.000 0.279 735 I C -1.969 174.059 176.117 -0.149 0.000 1.028 735 I CA -2.341 58.926 61.300 -0.056 0.000 1.142 735 I CB 2.140 40.141 38.000 0.003 0.000 1.266 735 I HN -0.289 nan 8.210 nan 0.000 0.461 736 P HA -0.148 nan 4.420 nan 0.000 0.216 736 P C 1.185 178.394 177.300 -0.151 0.000 1.150 736 P CA 1.327 64.338 63.100 -0.148 0.000 0.837 736 P CB 0.328 31.973 31.700 -0.092 0.000 0.786 737 E N -0.993 119.153 120.200 -0.090 0.000 2.106 737 E HA -0.149 4.193 4.350 -0.013 0.000 0.192 737 E C 1.844 178.351 176.600 -0.155 0.000 0.984 737 E CA 0.636 56.998 56.400 -0.063 0.000 0.806 737 E CB -0.562 29.167 29.700 0.049 0.000 0.750 737 E HN 0.114 nan 8.360 nan 0.000 0.458 738 L N 1.231 122.277 121.223 -0.294 0.000 2.093 738 L HA -0.124 4.208 4.340 -0.013 0.000 0.208 738 L C 2.345 178.958 176.870 -0.429 0.000 1.085 738 L CA 1.584 56.085 54.840 -0.565 0.000 0.755 738 L CB -0.275 41.295 42.059 -0.815 0.000 0.904 738 L HN -0.085 nan 8.230 nan 0.000 0.435 739 R N -0.814 119.415 120.500 -0.452 0.000 2.083 739 R HA -0.246 4.087 4.340 -0.013 0.000 0.237 739 R C 2.397 178.539 176.300 -0.264 0.000 1.137 739 R CA 2.025 57.777 56.100 -0.580 0.000 0.951 739 R CB -0.379 29.492 30.300 -0.715 0.000 0.851 739 R HN 0.597 nan 8.270 nan 0.000 0.434 740 Q N 0.427 120.107 119.800 -0.201 0.000 2.096 740 Q HA -0.197 4.136 4.340 -0.013 0.000 0.204 740 Q C 2.078 178.033 176.000 -0.075 0.000 0.982 740 Q CA 2.070 57.799 55.803 -0.123 0.000 0.850 740 Q CB -0.121 28.545 28.738 -0.120 0.000 0.901 740 Q HN 0.484 nan 8.270 nan 0.000 0.422 741 I N 0.538 121.061 120.570 -0.077 0.000 2.179 741 I HA -0.286 3.876 4.170 -0.013 0.000 0.242 741 I C 2.131 178.279 176.117 0.050 0.000 1.088 741 I CA 0.649 61.943 61.300 -0.010 0.000 1.357 741 I CB -0.331 37.633 38.000 -0.060 0.000 1.051 741 I HN 0.294 nan 8.210 nan 0.000 0.409 742 I N 0.849 121.450 120.570 0.052 0.000 2.226 742 I HA -0.242 3.921 4.170 -0.013 0.000 0.245 742 I C 2.484 178.707 176.117 0.177 0.000 1.100 742 I CA 1.643 63.041 61.300 0.163 0.000 1.374 742 I CB -1.312 36.880 38.000 0.320 0.000 1.057 742 I HN 0.354 nan 8.210 nan 0.000 0.413 743 E N 0.413 120.700 120.200 0.145 0.000 2.077 743 E HA -0.247 4.095 4.350 -0.013 0.000 0.193 743 E C 2.179 178.848 176.600 0.115 0.000 0.989 743 E CA 1.075 57.548 56.400 0.122 0.000 0.800 743 E CB -0.138 29.601 29.700 0.065 0.000 0.746 743 E HN 0.586 nan 8.360 nan 0.000 0.452 744 Q N 0.427 120.281 119.800 0.091 0.000 2.084 744 Q HA -0.151 4.182 4.340 -0.013 0.000 0.202 744 Q C 2.386 178.579 176.000 0.323 0.000 0.978 744 Q CA 1.064 56.943 55.803 0.127 0.000 0.844 744 Q CB -0.077 28.683 28.738 0.036 0.000 0.898 744 Q HN 0.301 nan 8.270 nan 0.000 0.426 745 L N -0.136 121.275 121.223 0.314 0.000 2.017 745 L HA -0.184 4.149 4.340 -0.013 0.000 0.208 745 L C 2.454 179.506 176.870 0.305 0.000 1.073 745 L CA 0.990 56.028 54.840 0.330 0.000 0.745 745 L CB -0.346 41.820 42.059 0.179 0.000 0.894 745 L HN 0.137 nan 8.230 nan 0.000 0.432 746 S N -0.300 115.535 115.700 0.225 0.000 2.368 746 S HA -0.148 4.314 4.470 -0.013 0.000 0.224 746 S C 2.114 176.817 174.600 0.171 0.000 1.029 746 S CA 1.498 59.809 58.200 0.186 0.000 0.988 746 S CB -0.221 63.069 63.200 0.150 0.000 0.838 746 S HN 0.601 nan 8.310 nan 0.000 0.462 747 S N 0.492 116.296 115.700 0.172 0.000 2.489 747 S HA 0.293 4.755 4.470 -0.013 0.000 0.228 747 S C 1.449 176.142 174.600 0.156 0.000 0.995 747 S CA 0.729 59.016 58.200 0.145 0.000 0.934 747 S CB -0.150 63.128 63.200 0.130 0.000 0.771 747 S HN 0.846 nan 8.310 nan 0.000 0.522 748 G N 0.501 109.427 108.800 0.210 0.000 2.131 748 G HA2 -0.254 3.699 3.960 -0.013 0.000 0.201 748 G HA3 -0.254 3.699 3.960 -0.013 0.000 0.201 748 G C 0.131 175.132 174.900 0.169 0.000 1.000 748 G CA 0.069 45.283 45.100 0.191 0.000 0.680 748 G HN 0.485 nan 8.290 nan 0.000 0.514 749 F N 0.222 120.190 119.950 0.030 0.000 2.171 749 F HA 0.196 4.716 4.527 -0.013 0.000 0.300 749 F C 1.895 177.518 175.800 -0.295 0.000 1.090 749 F CA 1.904 59.800 58.000 -0.174 0.000 1.293 749 F CB -0.019 38.797 39.000 -0.307 0.000 1.013 749 F HN 0.180 nan 8.300 nan 0.000 0.486 750 F N -0.290 119.778 119.950 0.198 0.000 2.693 750 F HA 0.193 4.712 4.527 -0.013 0.000 0.303 750 F C 0.591 176.490 175.800 0.166 0.000 1.097 750 F CA 0.226 58.297 58.000 0.119 0.000 1.330 750 F CB -0.100 38.982 39.000 0.136 0.000 1.067 750 F HN -0.041 nan 8.300 nan 0.000 0.565 751 S N -1.804 114.038 115.700 0.237 0.000 2.488 751 S HA 0.312 4.775 4.470 -0.013 0.000 0.151 751 S C -2.508 172.110 174.600 0.030 0.000 1.401 751 S CA -1.008 57.259 58.200 0.111 0.000 1.221 751 S CB 0.953 64.177 63.200 0.039 0.000 1.407 751 S HN -0.184 nan 8.310 nan 0.000 0.406 752 P HA -0.032 nan 4.420 nan 0.000 0.217 752 P C 1.184 178.474 177.300 -0.015 0.000 1.150 752 P CA 1.086 64.165 63.100 -0.035 0.000 0.832 752 P CB 0.148 31.801 31.700 -0.077 0.000 0.787 753 K N -0.923 119.469 120.400 -0.014 0.000 2.243 753 K HA 0.012 4.325 4.320 -0.013 0.000 0.201 753 K C 0.663 177.261 176.600 -0.003 0.000 1.051 753 K CA 0.821 57.103 56.287 -0.008 0.000 0.970 753 K CB 0.071 32.567 32.500 -0.006 0.000 0.755 753 K HN 0.306 nan 8.250 nan 0.000 0.465 754 Q N 0.552 120.347 119.800 -0.008 0.000 2.907 754 Q HA 0.147 4.479 4.340 -0.013 0.000 0.262 754 Q C -2.197 173.793 176.000 -0.016 0.000 0.997 754 Q CA -1.635 54.159 55.803 -0.016 0.000 0.797 754 Q CB 1.327 30.047 28.738 -0.030 0.000 1.228 754 Q HN -0.022 nan 8.270 nan 0.000 0.466 755 P HA -0.217 nan 4.420 nan 0.000 0.219 755 P C 0.433 177.768 177.300 0.059 0.000 1.146 755 P CA 1.469 64.597 63.100 0.046 0.000 0.808 755 P CB 0.275 32.004 31.700 0.048 0.000 0.779 756 D N -1.092 119.326 120.400 0.029 0.000 2.368 756 D HA -0.009 4.623 4.640 -0.013 0.000 0.218 756 D C 1.677 177.975 176.300 -0.003 0.000 1.112 756 D CA -0.372 53.653 54.000 0.042 0.000 0.834 756 D CB -0.630 40.196 40.800 0.044 0.000 0.953 756 D HN 0.001 nan 8.370 nan 0.000 0.505 757 L N -0.019 121.134 121.223 -0.118 0.000 2.043 757 L HA -0.080 4.253 4.340 -0.013 0.000 0.212 757 L C 1.202 177.872 176.870 -0.335 0.000 1.075 757 L CA 1.693 56.346 54.840 -0.313 0.000 0.752 757 L CB -0.580 41.097 42.059 -0.636 0.000 0.891 757 L HN -0.011 nan 8.230 nan 0.000 0.432 758 F N -0.713 119.292 119.950 0.093 0.000 2.668 758 F HA 0.128 4.648 4.527 -0.012 0.000 0.297 758 F C 1.844 177.695 175.800 0.084 0.000 1.124 758 F CA -0.150 57.893 58.000 0.072 0.000 1.353 758 F CB -0.309 38.720 39.000 0.049 0.000 0.992 758 F HN 0.103 nan 8.300 nan 0.000 0.524 759 K N -0.362 120.156 120.400 0.198 0.000 2.103 759 K HA -0.185 4.128 4.320 -0.013 0.000 0.207 759 K C 0.954 177.657 176.600 0.172 0.000 1.048 759 K CA 1.964 58.350 56.287 0.166 0.000 0.930 759 K CB -0.242 32.333 32.500 0.124 0.000 0.716 759 K HN 0.068 nan 8.250 nan 0.000 0.444 760 D N 1.229 121.745 120.400 0.193 0.000 2.144 760 D HA -0.071 4.561 4.640 -0.013 0.000 0.200 760 D C 2.020 178.425 176.300 0.174 0.000 0.978 760 D CA 1.071 55.198 54.000 0.212 0.000 0.833 760 D CB -0.093 40.873 40.800 0.278 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.470 761 I N 0.367 121.036 120.570 0.166 0.000 2.202 761 I HA -0.209 3.954 4.170 -0.013 0.000 0.242 761 I C 2.398 178.545 176.117 0.050 0.000 1.091 761 I CA 0.567 61.924 61.300 0.095 0.000 1.368 761 I CB -0.191 37.863 38.000 0.090 0.000 1.058 761 I HN -0.117 nan 8.210 nan 0.000 0.410 762 V N 1.184 121.154 119.914 0.093 0.000 2.287 762 V HA -0.315 3.797 4.120 -0.013 0.000 0.248 762 V C 2.223 178.323 176.094 0.010 0.000 1.053 762 V CA 2.470 64.812 62.300 0.069 0.000 1.027 762 V CB -1.004 30.886 31.823 0.113 0.000 0.646 762 V HN 0.481 nan 8.190 nan 0.000 0.447 763 N N -0.268 118.474 118.700 0.071 0.000 2.120 763 N HA -0.213 4.520 4.740 -0.013 0.000 0.188 763 N C 1.862 177.340 175.510 -0.054 0.000 1.024 763 N CA 1.736 54.865 53.050 0.132 0.000 0.852 763 N CB -0.257 38.374 38.487 0.241 0.000 1.003 763 N HN 0.329 nan 8.380 nan 0.000 0.424 764 M N -0.163 119.297 119.600 -0.233 0.000 2.086 764 M HA -0.115 4.358 4.480 -0.013 0.000 0.261 764 M C 1.433 177.443 176.300 -0.484 0.000 1.067 764 M CA 1.334 56.187 55.300 -0.746 0.000 1.116 764 M CB -0.646 31.741 32.600 -0.354 0.000 1.348 764 M HN 0.223 nan 8.290 nan 0.000 0.407 765 L N 0.651 121.686 121.223 -0.313 0.000 2.042 765 L HA -0.212 4.121 4.340 -0.013 0.000 0.210 765 L C 2.457 178.974 176.870 -0.589 0.000 1.076 765 L CA 1.672 56.252 54.840 -0.433 0.000 0.749 765 L CB -1.095 40.778 42.059 -0.310 0.000 0.893 765 L HN 0.350 nan 8.230 nan 0.000 0.432 766 M N -2.055 117.275 119.600 -0.450 0.000 2.288 766 M HA -0.062 4.411 4.480 -0.013 0.000 0.266 766 M C 1.812 177.726 176.300 -0.644 0.000 1.072 766 M CA 1.386 56.343 55.300 -0.573 0.000 1.132 766 M CB -0.720 31.461 32.600 -0.699 0.000 1.386 766 M HN 0.343 nan 8.290 nan 0.000 0.432 767 H N -2.071 116.934 119.070 -0.110 0.000 2.926 767 H HA 0.183 4.732 4.556 -0.012 0.000 0.249 767 H C 0.201 175.584 175.328 0.092 0.000 0.963 767 H CA 0.661 56.714 56.048 0.008 0.000 1.158 767 H CB 0.243 30.064 29.762 0.098 0.000 1.445 767 H HN 0.578 nan 8.280 nan 0.000 0.452 768 H N -1.174 117.954 119.070 0.097 0.000 2.716 768 H HA 0.297 4.846 4.556 -0.012 0.000 0.230 768 H C -1.104 174.248 175.328 0.040 0.000 1.401 768 H CA -0.587 55.505 56.048 0.073 0.000 1.168 768 H CB 0.109 29.916 29.762 0.075 0.000 1.935 768 H HN -0.133 nan 8.280 nan 0.000 0.538 769 D N 1.456 121.847 120.400 -0.015 0.000 2.411 769 D HA 0.128 4.760 4.640 -0.013 0.000 0.225 769 D C 0.892 177.115 176.300 -0.128 0.000 1.156 769 D CA -0.463 53.503 54.000 -0.057 0.000 0.874 769 D CB 0.724 41.477 40.800 -0.079 0.000 1.034 769 D HN 0.468 nan 8.370 nan 0.000 0.502 770 R N 2.235 122.568 120.500 -0.280 0.000 2.241 770 R HA -0.066 4.266 4.340 -0.013 0.000 0.224 770 R C 0.594 176.385 176.300 -0.848 0.000 1.101 770 R CA 0.962 56.676 56.100 -0.643 0.000 0.995 770 R CB 0.070 29.771 30.300 -0.997 0.000 0.870 770 R HN 0.415 nan 8.270 nan 0.000 0.463 771 F N 0.110 120.003 119.950 -0.096 0.000 2.661 771 F HA 0.275 4.794 4.527 -0.012 0.000 0.306 771 F C 0.060 175.730 175.800 -0.217 0.000 1.094 771 F CA -0.680 57.255 58.000 -0.109 0.000 1.254 771 F CB 0.265 39.260 39.000 -0.008 0.000 1.040 771 F HN -0.254 nan 8.300 nan 0.000 0.562 772 K N -0.279 119.923 120.400 -0.330 0.000 3.148 772 K HA -0.176 4.137 4.320 -0.013 0.000 0.267 772 K C 0.981 177.468 176.600 -0.189 0.000 0.996 772 K CA 0.204 56.120 56.287 -0.618 0.000 0.737 772 K CB -1.884 30.178 32.500 -0.730 0.000 1.308 772 K HN 0.205 nan 8.250 nan 0.000 0.470 773 V N 0.008 119.893 119.914 -0.049 0.000 2.282 773 V HA -0.305 3.808 4.120 -0.013 0.000 0.249 773 V C 1.957 178.199 176.094 0.247 0.000 1.057 773 V CA 2.413 64.766 62.300 0.089 0.000 1.032 773 V CB -0.503 31.378 31.823 0.098 0.000 0.645 773 V HN 0.496 nan 8.190 nan 0.000 0.447 774 F N 0.174 120.122 119.950 -0.004 0.000 2.171 774 F HA -0.207 4.312 4.527 -0.013 0.000 0.300 774 F C 2.516 178.101 175.800 -0.358 0.000 1.090 774 F CA 0.697 58.637 58.000 -0.101 0.000 1.293 774 F CB -0.384 38.573 39.000 -0.072 0.000 1.013 774 F HN 0.198 nan 8.300 nan 0.000 0.486 775 A N -0.526 122.135 122.820 -0.265 0.000 2.019 775 A HA -0.192 4.120 4.320 -0.013 0.000 0.219 775 A C 1.458 179.034 177.584 -0.013 0.000 1.164 775 A CA 1.865 53.671 52.037 -0.384 0.000 0.644 775 A CB -0.452 18.475 19.000 -0.121 0.000 0.805 775 A HN 0.235 nan 8.150 nan 0.000 0.449 776 D N -2.747 117.705 120.400 0.086 0.000 2.369 776 D HA 0.084 4.717 4.640 -0.013 0.000 0.211 776 D C 1.160 177.615 176.300 0.258 0.000 1.077 776 D CA -0.001 54.124 54.000 0.208 0.000 0.842 776 D CB -0.118 40.824 40.800 0.236 0.000 0.947 776 D HN 0.603 nan 8.370 nan 0.000 0.509 777 Y N 1.999 122.367 120.300 0.114 0.000 2.114 777 Y HA -0.193 4.350 4.550 -0.012 0.000 0.284 777 Y C 2.083 178.053 175.900 0.117 0.000 1.143 777 Y CA 1.810 59.984 58.100 0.124 0.000 1.135 777 Y CB 0.198 38.692 38.460 0.056 0.000 0.980 777 Y HN -0.114 nan 8.280 nan 0.000 0.499 778 E N 0.029 120.287 120.200 0.097 0.000 2.031 778 E HA -0.241 4.101 4.350 -0.013 0.000 0.193 778 E C 2.174 178.736 176.600 -0.064 0.000 0.994 778 E CA 1.572 57.962 56.400 -0.017 0.000 0.800 778 E CB -0.169 29.619 29.700 0.147 0.000 0.752 778 E HN 0.630 nan 8.360 nan 0.000 0.447 779 E N -0.215 120.021 120.200 0.060 0.000 2.110 779 E HA -0.203 4.140 4.350 -0.013 0.000 0.193 779 E C 1.928 178.503 176.600 -0.043 0.000 0.988 779 E CA 0.774 57.229 56.400 0.092 0.000 0.804 779 E CB -0.129 29.722 29.700 0.252 0.000 0.745 779 E HN 0.268 nan 8.360 nan 0.000 0.458 780 Y N 1.222 121.309 120.300 -0.356 0.000 2.163 780 Y HA -0.218 4.325 4.550 -0.013 0.000 0.288 780 Y C 2.151 177.648 175.900 -0.671 0.000 1.136 780 Y CA 0.995 58.564 58.100 -0.885 0.000 1.147 780 Y CB -0.508 37.487 38.460 -0.775 0.000 0.987 780 Y HN -0.210 nan 8.280 nan 0.000 0.509 781 V N 0.580 120.126 119.914 -0.612 0.000 2.343 781 V HA -0.322 3.791 4.120 -0.013 0.000 0.247 781 V C 2.287 178.147 176.094 -0.391 0.000 1.051 781 V CA 2.386 64.348 62.300 -0.564 0.000 1.036 781 V CB -0.609 30.902 31.823 -0.520 0.000 0.654 781 V HN 0.297 nan 8.190 nan 0.000 0.451 782 K N -0.908 119.326 120.400 -0.277 0.000 2.057 782 K HA -0.207 4.106 4.320 -0.013 0.000 0.207 782 K C 2.281 178.781 176.600 -0.167 0.000 1.049 782 K CA 1.728 57.917 56.287 -0.163 0.000 0.931 782 K CB -0.612 31.841 32.500 -0.079 0.000 0.714 782 K HN 0.537 nan 8.250 nan 0.000 0.440 783 C N 1.228 120.397 119.300 -0.219 0.000 2.429 783 C HA -0.090 4.362 4.460 -0.013 0.000 0.277 783 C C 2.574 177.372 174.990 -0.321 0.000 1.262 783 C CA 0.763 59.677 59.018 -0.173 0.000 1.733 783 C CB -0.632 27.025 27.740 -0.138 0.000 2.010 783 C HN 0.441 nan 8.230 nan 0.000 0.483 784 Q N 0.489 119.965 119.800 -0.540 0.000 2.170 784 Q HA -0.183 4.149 4.340 -0.013 0.000 0.203 784 Q C 1.980 177.784 176.000 -0.326 0.000 0.976 784 Q CA 1.657 57.112 55.803 -0.580 0.000 0.858 784 Q CB -0.412 27.747 28.738 -0.964 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.211 120.274 120.200 -0.229 0.000 2.077 785 E HA -0.146 4.196 4.350 -0.013 0.000 0.193 785 E C 2.094 178.643 176.600 -0.085 0.000 0.989 785 E CA 0.621 56.947 56.400 -0.123 0.000 0.800 785 E CB -0.027 29.620 29.700 -0.088 0.000 0.746 785 E HN 0.270 nan 8.360 nan 0.000 0.452 786 R N 0.428 120.880 120.500 -0.081 0.000 2.092 786 R HA -0.088 4.245 4.340 -0.013 0.000 0.231 786 R C 2.429 178.703 176.300 -0.044 0.000 1.119 786 R CA 0.917 57.028 56.100 0.018 0.000 0.970 786 R CB -0.331 30.052 30.300 0.139 0.000 0.864 786 R HN 0.070 nan 8.270 nan 0.000 0.440 787 V N 0.635 120.326 119.914 -0.372 0.000 2.295 787 V HA -0.245 3.868 4.120 -0.013 0.000 0.246 787 V C 2.203 178.267 176.094 -0.051 0.000 1.049 787 V CA 1.979 63.976 62.300 -0.504 0.000 1.024 787 V CB -0.380 31.047 31.823 -0.659 0.000 0.648 787 V HN 0.285 nan 8.190 nan 0.000 0.447 788 S N 0.024 115.670 115.700 -0.090 0.000 2.382 788 S HA -0.164 4.299 4.470 -0.013 0.000 0.228 788 S C 2.206 176.853 174.600 0.078 0.000 1.027 788 S CA 1.365 59.548 58.200 -0.027 0.000 0.991 788 S CB -0.478 62.681 63.200 -0.068 0.000 0.823 788 S HN 0.653 nan 8.310 nan 0.000 0.469 789 A N 1.449 124.318 122.820 0.082 0.000 1.877 789 A HA -0.014 4.298 4.320 -0.013 0.000 0.216 789 A C 2.101 179.792 177.584 0.178 0.000 1.186 789 A CA 1.119 53.228 52.037 0.119 0.000 0.620 789 A CB -0.749 18.311 19.000 0.101 0.000 0.822 789 A HN 0.457 nan 8.150 nan 0.000 0.443 790 L N -2.042 119.342 121.223 0.269 0.000 2.093 790 L HA -0.160 4.172 4.340 -0.013 0.000 0.208 790 L C 2.480 179.609 176.870 0.431 0.000 1.085 790 L CA 1.842 56.917 54.840 0.392 0.000 0.755 790 L CB -0.438 41.965 42.059 0.574 0.000 0.904 790 L HN 0.603 nan 8.230 nan 0.000 0.435 791 Y N 0.943 121.359 120.300 0.194 0.000 2.333 791 Y HA -0.269 4.274 4.550 -0.011 0.000 0.290 791 Y C 2.429 178.256 175.900 -0.122 0.000 1.144 791 Y CA 1.581 59.544 58.100 -0.229 0.000 1.228 791 Y CB -0.040 38.071 38.460 -0.581 0.000 0.985 791 Y HN 0.065 nan 8.280 nan 0.000 0.542 792 K N -0.072 120.372 120.400 0.073 0.000 2.360 792 K HA -0.154 4.159 4.320 -0.013 0.000 0.201 792 K C 0.328 176.913 176.600 -0.024 0.000 1.046 792 K CA 0.883 57.194 56.287 0.040 0.000 0.945 792 K CB -0.109 32.453 32.500 0.104 0.000 0.750 792 K HN 0.052 nan 8.250 nan 0.000 0.464 793 N N 0.198 118.897 118.700 -0.002 0.000 2.898 793 N HA 0.142 4.874 4.740 -0.013 0.000 0.245 793 N C -2.447 173.061 175.510 -0.003 0.000 1.185 793 N CA -2.260 50.793 53.050 0.004 0.000 0.879 793 N CB 1.210 39.731 38.487 0.055 0.000 1.157 793 N HN -0.202 nan 8.380 nan 0.000 0.503 794 P HA -0.179 nan 4.420 nan 0.000 0.216 794 P C 1.367 178.677 177.300 0.015 0.000 1.154 794 P CA 1.128 64.153 63.100 -0.124 0.000 0.865 794 P CB 0.395 31.997 31.700 -0.164 0.000 0.789 795 R N 0.001 120.510 120.500 0.015 0.000 2.081 795 R HA -0.142 4.190 4.340 -0.013 0.000 0.235 795 R C 1.915 178.254 176.300 0.065 0.000 1.131 795 R CA 1.373 57.492 56.100 0.033 0.000 0.960 795 R CB -0.323 29.989 30.300 0.019 0.000 0.856 795 R HN 0.085 nan 8.270 nan 0.000 0.436 796 E N -0.080 120.169 120.200 0.082 0.000 2.158 796 E HA -0.200 4.142 4.350 -0.013 0.000 0.191 796 E C 1.588 178.264 176.600 0.126 0.000 0.982 796 E CA 0.531 56.984 56.400 0.088 0.000 0.823 796 E CB -0.414 29.337 29.700 0.085 0.000 0.766 796 E HN 0.498 nan 8.360 nan 0.000 0.468 797 W N 2.250 123.546 121.300 -0.007 0.000 2.333 797 W HA -0.212 4.440 4.660 -0.014 0.000 0.316 797 W C 1.652 178.171 176.519 0.000 0.000 1.215 797 W CA 2.212 59.564 57.345 0.012 0.000 1.278 797 W CB -0.457 28.979 29.460 -0.041 0.000 1.154 797 W HN 0.035 nan 8.180 nan 0.000 0.486 798 T N 1.107 115.788 114.554 0.212 0.000 2.788 798 T HA -0.180 4.162 4.350 -0.013 0.000 0.268 798 T C 1.856 176.558 174.700 0.003 0.000 1.044 798 T CA 1.731 63.885 62.100 0.090 0.000 1.139 798 T CB -0.326 68.584 68.868 0.069 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.377 120.887 120.500 0.016 0.000 2.096 799 R HA 0.074 4.406 4.340 -0.013 0.000 0.235 799 R C 2.522 178.805 176.300 -0.028 0.000 1.127 799 R CA 1.257 57.366 56.100 0.014 0.000 0.968 799 R CB -0.334 29.982 30.300 0.027 0.000 0.861 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.429 119.975 119.600 -0.089 0.000 2.132 800 M HA -0.151 4.322 4.480 -0.013 0.000 0.263 800 M C 1.969 178.158 176.300 -0.186 0.000 1.065 800 M CA 1.402 56.606 55.300 -0.159 0.000 1.122 800 M CB 0.142 32.590 32.600 -0.253 0.000 1.365 800 M HN -0.007 nan 8.290 nan 0.000 0.411 801 V N 0.976 120.755 119.914 -0.224 0.000 2.287 801 V HA -0.329 3.783 4.120 -0.013 0.000 0.248 801 V C 2.205 178.263 176.094 -0.060 0.000 1.053 801 V CA 2.156 64.355 62.300 -0.169 0.000 1.027 801 V CB -0.648 31.098 31.823 -0.128 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.613 119.949 120.570 -0.013 0.000 2.264 802 I HA -0.263 3.899 4.170 -0.013 0.000 0.248 802 I C 2.687 178.847 176.117 0.072 0.000 1.111 802 I CA 1.587 62.931 61.300 0.074 0.000 1.382 802 I CB -0.428 37.670 38.000 0.163 0.000 1.060 802 I HN 0.215 nan 8.210 nan 0.000 0.418 803 R N 0.399 120.918 120.500 0.031 0.000 2.115 803 R HA -0.106 4.227 4.340 -0.013 0.000 0.230 803 R C 2.024 178.352 176.300 0.047 0.000 1.111 803 R CA 1.174 57.294 56.100 0.033 0.000 0.976 803 R CB -0.428 29.877 30.300 0.008 0.000 0.870 803 R HN 0.543 nan 8.270 nan 0.000 0.445 804 N N 0.682 119.395 118.700 0.021 0.000 2.109 804 N HA -0.086 4.647 4.740 -0.013 0.000 0.188 804 N C 1.980 177.542 175.510 0.086 0.000 1.034 804 N CA 1.116 54.200 53.050 0.055 0.000 0.846 804 N CB -0.057 38.406 38.487 -0.041 0.000 1.010 804 N HN 0.106 nan 8.380 nan 0.000 0.425 805 I N 1.677 122.282 120.570 0.060 0.000 2.194 805 I HA -0.262 3.900 4.170 -0.013 0.000 0.246 805 I C 2.488 178.652 176.117 0.079 0.000 1.093 805 I CA 1.010 62.353 61.300 0.072 0.000 1.355 805 I CB -0.371 37.664 38.000 0.058 0.000 1.046 805 I HN 0.112 nan 8.210 nan 0.000 0.413 806 A N 0.374 123.241 122.820 0.078 0.000 2.019 806 A HA -0.169 4.144 4.320 -0.013 0.000 0.219 806 A C 2.123 179.745 177.584 0.064 0.000 1.164 806 A CA 2.093 54.168 52.037 0.064 0.000 0.644 806 A CB -0.872 18.169 19.000 0.068 0.000 0.805 806 A HN 0.546 nan 8.150 nan 0.000 0.449 807 T N -2.803 111.805 114.554 0.091 0.000 3.176 807 T HA 0.177 4.519 4.350 -0.013 0.000 0.263 807 T C 1.183 175.980 174.700 0.161 0.000 1.021 807 T CA 0.653 62.813 62.100 0.099 0.000 0.905 807 T CB -0.174 68.755 68.868 0.103 0.000 1.057 807 T HN 0.490 nan 8.240 nan 0.000 0.558 808 S N 0.183 115.993 115.700 0.184 0.000 2.603 808 S HA 0.230 4.692 4.470 -0.013 0.000 0.220 808 S C 2.216 176.950 174.600 0.225 0.000 0.967 808 S CA 0.285 58.666 58.200 0.302 0.000 0.920 808 S CB -0.683 62.663 63.200 0.242 0.000 0.773 808 S HN 0.528 nan 8.310 nan 0.000 0.529 809 G N 2.621 111.473 108.800 0.087 0.000 2.469 809 G HA2 -0.295 3.657 3.960 -0.013 0.000 0.220 809 G HA3 -0.295 3.657 3.960 -0.013 0.000 0.220 809 G C 1.327 176.180 174.900 -0.078 0.000 1.136 809 G CA 1.045 46.160 45.100 0.025 0.000 0.759 809 G HN 0.605 nan 8.290 nan 0.000 0.562 810 K N -0.203 120.027 120.400 -0.282 0.000 2.281 810 K HA -0.043 4.269 4.320 -0.013 0.000 0.203 810 K C 1.233 177.514 176.600 -0.531 0.000 1.046 810 K CA 0.825 56.797 56.287 -0.525 0.000 0.938 810 K CB -0.251 31.730 32.500 -0.866 0.000 0.737 810 K HN 0.434 nan 8.250 nan 0.000 0.458 811 F N 0.620 120.601 119.950 0.051 0.000 2.645 811 F HA 0.150 4.669 4.527 -0.013 0.000 0.300 811 F C 0.764 176.610 175.800 0.076 0.000 1.115 811 F CA -0.659 57.378 58.000 0.061 0.000 1.355 811 F CB 0.492 39.525 39.000 0.055 0.000 1.026 811 F HN -0.132 nan 8.300 nan 0.000 0.536 812 S N 0.454 116.245 115.700 0.151 0.000 2.549 812 S HA 0.041 4.503 4.470 -0.013 0.000 0.279 812 S C 1.480 176.164 174.600 0.140 0.000 1.321 812 S CA -0.110 58.171 58.200 0.135 0.000 1.054 812 S CB 0.774 64.023 63.200 0.081 0.000 0.899 812 S HN 0.369 nan 8.310 nan 0.000 0.497 813 S N 3.316 119.123 115.700 0.178 0.000 2.507 813 S HA -0.085 4.377 4.470 -0.013 0.000 0.235 813 S C 0.977 175.631 174.600 0.090 0.000 0.988 813 S CA 0.755 59.081 58.200 0.209 0.000 0.944 813 S CB -0.365 63.035 63.200 0.333 0.000 0.762 813 S HN 0.797 nan 8.310 nan 0.000 0.526 814 D N 1.942 122.379 120.400 0.063 0.000 2.117 814 D HA -0.095 4.537 4.640 -0.013 0.000 0.197 814 D C 2.093 178.397 176.300 0.007 0.000 0.987 814 D CA 0.836 54.850 54.000 0.024 0.000 0.829 814 D CB -0.345 40.467 40.800 0.019 0.000 0.961 814 D HN 0.292 nan 8.370 nan 0.000 0.460 815 R N 0.796 121.303 120.500 0.012 0.000 2.073 815 R HA -0.089 4.243 4.340 -0.013 0.000 0.234 815 R C 1.919 178.211 176.300 -0.013 0.000 1.134 815 R CA 1.436 57.529 56.100 -0.012 0.000 0.952 815 R CB -0.810 29.471 30.300 -0.033 0.000 0.850 815 R HN 0.131 nan 8.270 nan 0.000 0.433 816 T N 2.197 116.767 114.554 0.027 0.000 2.652 816 T HA -0.129 4.213 4.350 -0.013 0.000 0.267 816 T C 1.927 176.633 174.700 0.010 0.000 1.039 816 T CA 1.431 63.566 62.100 0.059 0.000 1.153 816 T CB -0.124 68.862 68.868 0.197 0.000 0.863 816 T HN 0.113 nan 8.240 nan 0.000 0.428 817 I N 1.582 122.082 120.570 -0.117 0.000 2.315 817 I HA -0.068 4.095 4.170 -0.013 0.000 0.248 817 I C 2.931 179.006 176.117 -0.071 0.000 1.117 817 I CA 0.914 62.106 61.300 -0.180 0.000 1.404 817 I CB -1.600 36.285 38.000 -0.192 0.000 1.071 817 I HN 0.195 nan 8.210 nan 0.000 0.419 818 A N 0.272 123.067 122.820 -0.042 0.000 1.940 818 A HA -0.245 4.068 4.320 -0.013 0.000 0.219 818 A C 2.256 179.796 177.584 -0.073 0.000 1.176 818 A CA 1.507 53.525 52.037 -0.031 0.000 0.631 818 A CB -0.552 18.436 19.000 -0.020 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -1.825 117.912 119.800 -0.105 0.000 2.046 819 Q HA -0.167 4.166 4.340 -0.013 0.000 0.200 819 Q C 1.962 177.788 176.000 -0.291 0.000 0.975 819 Q CA 1.663 57.362 55.803 -0.173 0.000 0.836 819 Q CB -0.333 28.293 28.738 -0.187 0.000 0.896 819 Q HN 0.812 nan 8.270 nan 0.000 0.428 820 Y N 0.668 120.677 120.300 -0.484 0.000 2.114 820 Y HA -0.319 4.223 4.550 -0.013 0.000 0.282 820 Y C 2.491 177.813 175.900 -0.963 0.000 1.165 820 Y CA 1.350 58.901 58.100 -0.916 0.000 1.148 820 Y CB -0.505 37.084 38.460 -1.451 0.000 0.972 820 Y HN 0.173 nan 8.280 nan 0.000 0.504 821 A N 0.257 122.848 122.820 -0.382 0.000 1.865 821 A HA -0.235 4.077 4.320 -0.013 0.000 0.217 821 A C 2.247 179.843 177.584 0.020 0.000 1.191 821 A CA 2.127 54.189 52.037 0.042 0.000 0.623 821 A CB -0.582 18.516 19.000 0.164 0.000 0.826 821 A HN 0.443 nan 8.150 nan 0.000 0.444 822 R N -0.721 119.751 120.500 -0.047 0.000 2.075 822 R HA -0.022 4.311 4.340 -0.013 0.000 0.226 822 R C 1.825 178.099 176.300 -0.044 0.000 1.114 822 R CA 1.444 57.528 56.100 -0.026 0.000 0.972 822 R CB -0.176 30.105 30.300 -0.032 0.000 0.869 822 R HN 0.661 nan 8.270 nan 0.000 0.437 823 E N -0.468 119.665 120.200 -0.111 0.000 2.415 823 E HA 0.091 4.433 4.350 -0.013 0.000 0.197 823 E C 1.404 177.952 176.600 -0.088 0.000 1.007 823 E CA 0.445 56.784 56.400 -0.102 0.000 0.890 823 E CB 0.544 30.156 29.700 -0.147 0.000 0.891 823 E HN 0.300 nan 8.360 nan 0.000 0.496 824 I N -1.150 119.334 120.570 -0.143 0.000 3.739 824 I HA 0.023 4.185 4.170 -0.013 0.000 0.272 824 I C 1.320 177.564 176.117 0.212 0.000 1.167 824 I CA -0.082 61.191 61.300 -0.044 0.000 1.386 824 I CB 0.253 38.089 38.000 -0.274 0.000 1.490 824 I HN 0.100 nan 8.210 nan 0.000 0.452 825 W N 1.543 122.927 121.300 0.141 0.000 2.658 825 W HA 0.329 4.982 4.660 -0.013 0.000 0.263 825 W C 1.484 178.028 176.519 0.042 0.000 1.274 825 W CA 0.787 58.194 57.345 0.103 0.000 1.343 825 W CB -1.095 28.414 29.460 0.083 0.000 1.106 825 W HN 0.316 nan 8.180 nan 0.000 0.615 826 G N 1.255 110.184 108.800 0.216 0.000 2.272 826 G HA2 -0.111 3.842 3.960 -0.013 0.000 0.280 826 G HA3 -0.111 3.842 3.960 -0.013 0.000 0.280 826 G C -0.294 174.667 174.900 0.103 0.000 1.067 826 G CA 0.276 45.444 45.100 0.114 0.000 0.902 826 G HN 0.391 nan 8.290 nan 0.000 0.500 827 V N -4.323 115.673 119.914 0.137 0.000 2.962 827 V HA 0.918 5.030 4.120 -0.013 0.000 0.313 827 V C -0.364 175.784 176.094 0.090 0.000 1.099 827 V CA -1.696 60.666 62.300 0.103 0.000 0.971 827 V CB 2.351 34.243 31.823 0.114 0.000 1.028 827 V HN 0.131 nan 8.190 nan 0.000 0.430 828 E N 2.804 123.042 120.200 0.063 0.000 2.156 828 E HA 0.546 4.889 4.350 -0.013 0.000 0.279 828 E C -2.561 174.073 176.600 0.057 0.000 0.965 828 E CA -1.747 54.685 56.400 0.052 0.000 0.789 828 E CB 1.713 31.437 29.700 0.039 0.000 1.098 828 E HN 0.694 nan 8.360 nan 0.000 0.397 829 P HA 0.103 nan 4.420 nan 0.000 0.272 829 P C -0.683 176.645 177.300 0.047 0.000 1.223 829 P CA -0.240 62.893 63.100 0.055 0.000 0.784 829 P CB 0.701 32.428 31.700 0.045 0.000 0.923 830 S N 0.998 116.729 115.700 0.051 0.000 2.619 830 S HA 0.321 4.783 4.470 -0.013 0.000 0.280 830 S C 0.335 174.961 174.600 0.044 0.000 1.150 830 S CA -0.713 57.516 58.200 0.048 0.000 0.978 830 S CB 0.782 64.018 63.200 0.060 0.000 1.041 830 S HN 0.230 nan 8.310 nan 0.000 0.485 831 R N 2.419 122.940 120.500 0.035 0.000 2.334 831 R HA 0.181 4.513 4.340 -0.013 0.000 0.220 831 R C -0.023 176.291 176.300 0.023 0.000 0.917 831 R CA 0.097 56.216 56.100 0.032 0.000 1.073 831 R CB 0.088 30.407 30.300 0.031 0.000 1.056 831 R HN 0.694 nan 8.270 nan 0.000 0.506 832 Q N 1.014 120.827 119.800 0.022 0.000 2.313 832 Q HA 0.102 4.434 4.340 -0.013 0.000 0.266 832 Q C -0.283 175.713 176.000 -0.006 0.000 0.989 832 Q CA 0.084 55.893 55.803 0.010 0.000 0.890 832 Q CB 0.860 29.608 28.738 0.016 0.000 1.200 832 Q HN -0.208 nan 8.270 nan 0.000 0.396 833 R N 1.616 122.103 120.500 -0.022 0.000 2.590 833 R HA 0.161 4.493 4.340 -0.013 0.000 0.274 833 R C -0.410 175.850 176.300 -0.066 0.000 1.061 833 R CA 0.104 56.178 56.100 -0.043 0.000 1.081 833 R CB 0.328 30.601 30.300 -0.045 0.000 0.984 833 R HN 0.499 nan 8.270 nan 0.000 0.448 834 L N 5.697 126.864 121.223 -0.094 0.000 2.395 834 L HA 0.352 4.684 4.340 -0.013 0.000 0.269 834 L C -1.673 175.136 176.870 -0.101 0.000 1.133 834 L CA -2.022 52.732 54.840 -0.144 0.000 0.812 834 L CB 1.001 42.946 42.059 -0.191 0.000 1.125 834 L HN 0.468 nan 8.230 nan 0.000 0.452 835 P HA 0.083 nan 4.420 nan 0.000 0.268 835 P C -0.815 176.455 177.300 -0.050 0.000 1.204 835 P CA -0.177 62.887 63.100 -0.060 0.000 0.768 835 P CB 0.953 32.623 31.700 -0.051 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 -0.020 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486