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 3cuw_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 FNLXXXNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.059 0.000 1.108 13 I N -0.738 119.821 120.570 -0.019 0.000 2.562 13 I HA 0.566 4.727 4.170 -0.015 0.000 0.301 13 I C 0.871 176.988 176.117 -0.000 0.000 1.003 13 I CA -0.363 60.934 61.300 -0.005 0.000 1.127 13 I CB 2.010 40.011 38.000 0.002 0.000 1.304 13 I HN 0.165 nan 8.210 nan 0.000 0.446 14 S N 3.360 119.065 115.700 0.009 0.000 2.359 14 S HA -0.159 4.302 4.470 -0.015 0.000 0.224 14 S C 1.805 176.413 174.600 0.014 0.000 1.035 14 S CA 2.055 60.261 58.200 0.011 0.000 1.018 14 S CB -0.500 62.712 63.200 0.019 0.000 0.876 14 S HN 0.796 nan 8.310 nan 0.000 0.448 15 V N 0.051 119.981 119.914 0.027 0.000 3.026 15 V HA 0.066 4.177 4.120 -0.015 0.000 0.265 15 V C 1.921 178.028 176.094 0.021 0.000 1.121 15 V CA 1.512 63.830 62.300 0.031 0.000 1.142 15 V CB -0.998 30.852 31.823 0.045 0.000 0.730 15 V HN 0.378 nan 8.190 nan 0.000 0.503 16 R N 1.164 121.669 120.500 0.007 0.000 2.310 16 R HA 0.425 4.756 4.340 -0.015 0.000 0.202 16 R C 1.139 177.429 176.300 -0.018 0.000 0.933 16 R CA 0.571 56.668 56.100 -0.005 0.000 1.054 16 R CB -0.041 30.253 30.300 -0.011 0.000 0.985 16 R HN 0.792 nan 8.270 nan 0.000 0.489 17 G N 0.531 109.321 108.800 -0.017 0.000 2.685 17 G HA2 -0.207 3.744 3.960 -0.015 0.000 0.387 17 G HA3 -0.207 3.744 3.960 -0.015 0.000 0.387 17 G C -0.986 173.898 174.900 -0.027 0.000 1.324 17 G CA -1.085 43.997 45.100 -0.030 0.000 0.878 17 G HN -0.036 nan 8.290 nan 0.000 0.527 18 L N 0.457 121.661 121.223 -0.031 0.000 2.375 18 L HA 0.666 4.997 4.340 -0.015 0.000 0.271 18 L C 1.248 178.104 176.870 -0.024 0.000 1.107 18 L CA 0.430 55.255 54.840 -0.024 0.000 0.806 18 L CB 1.107 43.153 42.059 -0.022 0.000 1.146 18 L HN 1.552 nan 8.230 nan 0.000 0.447 19 A N 2.471 125.280 122.820 -0.018 0.000 3.056 19 A HA 0.576 4.887 4.320 -0.015 0.000 0.328 19 A C 0.654 178.234 177.584 -0.006 0.000 1.233 19 A CA -0.356 51.673 52.037 -0.014 0.000 0.965 19 A CB -0.308 18.683 19.000 -0.014 0.000 1.123 19 A HN 0.785 nan 8.150 nan 0.000 0.502 20 G N -0.169 108.628 108.800 -0.005 0.000 2.491 20 G HA2 0.360 4.311 3.960 -0.015 0.000 0.242 20 G HA3 0.360 4.311 3.960 -0.015 0.000 0.242 20 G C 1.017 175.922 174.900 0.008 0.000 1.266 20 G CA -0.006 45.095 45.100 0.001 0.000 0.844 20 G HN 0.474 nan 8.290 nan 0.000 0.571 21 V N 1.798 121.718 119.914 0.009 0.000 2.282 21 V HA -0.215 3.896 4.120 -0.015 0.000 0.249 21 V C 2.648 178.753 176.094 0.017 0.000 1.057 21 V CA 2.471 64.779 62.300 0.013 0.000 1.032 21 V CB -0.690 31.139 31.823 0.011 0.000 0.645 21 V HN 0.815 nan 8.190 nan 0.000 0.447 22 E N 0.494 120.705 120.200 0.018 0.000 2.051 22 E HA -0.190 4.151 4.350 -0.015 0.000 0.192 22 E C 2.073 178.694 176.600 0.035 0.000 0.991 22 E CA 1.655 58.070 56.400 0.024 0.000 0.799 22 E CB -0.261 29.452 29.700 0.022 0.000 0.748 22 E HN 0.624 nan 8.360 nan 0.000 0.449 23 N N -0.810 117.909 118.700 0.033 0.000 2.084 23 N HA -0.143 4.588 4.740 -0.015 0.000 0.190 23 N C 1.646 177.184 175.510 0.046 0.000 1.030 23 N CA 1.368 54.444 53.050 0.043 0.000 0.849 23 N CB -0.146 38.352 38.487 0.019 0.000 1.012 23 N HN -0.004 nan 8.380 nan 0.000 0.423 24 V N 0.201 120.134 119.914 0.031 0.000 2.295 24 V HA -0.239 3.872 4.120 -0.015 0.000 0.246 24 V C 2.062 178.179 176.094 0.038 0.000 1.049 24 V CA 1.930 64.248 62.300 0.030 0.000 1.024 24 V CB -0.978 30.857 31.823 0.020 0.000 0.648 24 V HN 0.410 nan 8.190 nan 0.000 0.447 25 T N -0.475 114.101 114.554 0.036 0.000 2.684 25 T HA -0.248 4.093 4.350 -0.015 0.000 0.267 25 T C 1.935 176.668 174.700 0.056 0.000 1.036 25 T CA 1.920 64.043 62.100 0.038 0.000 1.148 25 T CB -0.234 68.652 68.868 0.030 0.000 0.863 25 T HN 0.496 nan 8.240 nan 0.000 0.436 26 E N 0.894 121.135 120.200 0.067 0.000 2.106 26 E HA -0.021 4.320 4.350 -0.015 0.000 0.192 26 E C 2.044 178.721 176.600 0.128 0.000 0.984 26 E CA 0.874 57.327 56.400 0.088 0.000 0.806 26 E CB -0.514 29.242 29.700 0.093 0.000 0.750 26 E HN 0.451 nan 8.360 nan 0.000 0.458 27 L N 0.112 121.418 121.223 0.139 0.000 2.046 27 L HA -0.184 4.147 4.340 -0.015 0.000 0.208 27 L C 2.447 179.428 176.870 0.185 0.000 1.077 27 L CA 1.499 56.446 54.840 0.179 0.000 0.747 27 L CB -0.327 41.811 42.059 0.131 0.000 0.896 27 L HN 0.072 nan 8.230 nan 0.000 0.432 28 K N 0.421 120.890 120.400 0.114 0.000 2.057 28 K HA -0.205 4.106 4.320 -0.015 0.000 0.207 28 K C 2.137 178.835 176.600 0.163 0.000 1.049 28 K CA 1.694 58.038 56.287 0.095 0.000 0.931 28 K CB -0.083 32.434 32.500 0.029 0.000 0.714 28 K HN 0.374 nan 8.250 nan 0.000 0.440 29 K N 0.224 120.702 120.400 0.130 0.000 2.103 29 K HA -0.046 4.265 4.320 -0.015 0.000 0.204 29 K C 1.530 178.214 176.600 0.140 0.000 1.052 29 K CA 1.267 57.624 56.287 0.118 0.000 0.945 29 K CB -0.090 32.455 32.500 0.074 0.000 0.722 29 K HN -0.007 nan 8.250 nan 0.000 0.443 30 N N 0.485 119.282 118.700 0.161 0.000 2.270 30 N HA -0.097 4.634 4.740 -0.015 0.000 0.181 30 N C 1.553 177.215 175.510 0.253 0.000 1.016 30 N CA 0.827 53.966 53.050 0.149 0.000 0.870 30 N CB -0.251 38.336 38.487 0.168 0.000 0.979 30 N HN 0.208 nan 8.380 nan 0.000 0.431 31 F N 2.454 122.507 119.950 0.173 0.000 2.102 31 F HA -0.108 4.410 4.527 -0.015 0.000 0.298 31 F C 2.001 177.906 175.800 0.175 0.000 1.105 31 F CA 1.270 59.387 58.000 0.195 0.000 1.239 31 F CB -0.095 38.991 39.000 0.144 0.000 0.991 31 F HN -0.025 nan 8.300 nan 0.000 0.474 32 N N 0.401 119.331 118.700 0.383 0.000 2.188 32 N HA -0.175 4.556 4.740 -0.015 0.000 0.184 32 N C 2.009 177.598 175.510 0.131 0.000 1.018 32 N CA 1.087 54.284 53.050 0.245 0.000 0.858 32 N CB -0.537 38.068 38.487 0.197 0.000 0.989 32 N HN 0.370 nan 8.380 nan 0.000 0.426 33 R N 0.283 120.856 120.500 0.122 0.000 2.073 33 R HA -0.101 4.230 4.340 -0.015 0.000 0.234 33 R C 1.776 178.150 176.300 0.124 0.000 1.134 33 R CA 1.490 57.682 56.100 0.155 0.000 0.952 33 R CB -0.215 30.118 30.300 0.055 0.000 0.850 33 R HN 0.378 nan 8.270 nan 0.000 0.433 34 H N -0.362 118.748 119.070 0.066 0.000 2.357 34 H HA -0.115 4.432 4.556 -0.015 0.000 0.301 34 H C 1.895 177.146 175.328 -0.127 0.000 1.082 34 H CA 1.410 57.426 56.048 -0.053 0.000 1.342 34 H CB 0.062 29.748 29.762 -0.128 0.000 1.389 34 H HN 0.124 nan 8.280 nan 0.000 0.511 35 L N 0.026 121.225 121.223 -0.041 0.000 2.079 35 L HA -0.210 4.121 4.340 -0.015 0.000 0.210 35 L C 2.200 179.037 176.870 -0.054 0.000 1.081 35 L CA 1.914 56.702 54.840 -0.087 0.000 0.752 35 L CB -0.421 41.612 42.059 -0.044 0.000 0.896 35 L HN 0.323 nan 8.230 nan 0.000 0.433 36 H N -1.921 117.062 119.070 -0.145 0.000 2.287 36 H HA -0.046 4.501 4.556 -0.015 0.000 0.309 36 H C 1.782 176.917 175.328 -0.322 0.000 1.059 36 H CA 2.098 57.968 56.048 -0.296 0.000 1.357 36 H CB -0.255 29.222 29.762 -0.475 0.000 1.409 36 H HN 0.270 nan 8.280 nan 0.000 0.515 37 F N -0.357 119.583 119.950 -0.017 0.000 2.367 37 F HA 0.009 4.527 4.527 -0.015 0.000 0.298 37 F C 2.437 178.166 175.800 -0.119 0.000 1.094 37 F CA 1.315 59.264 58.000 -0.085 0.000 1.409 37 F CB -0.178 38.812 39.000 -0.016 0.000 1.064 37 F HN 0.202 nan 8.300 nan 0.000 0.528 38 T N -0.558 114.024 114.554 0.047 0.000 3.021 38 T HA 0.131 4.472 4.350 -0.015 0.000 0.245 38 T C 1.887 176.484 174.700 -0.171 0.000 1.028 38 T CA 0.656 62.712 62.100 -0.075 0.000 1.139 38 T CB -0.139 68.653 68.868 -0.127 0.000 0.884 38 T HN 0.101 nan 8.240 nan 0.000 0.457 39 L N 1.192 122.311 121.223 -0.173 0.000 2.554 39 L HA 0.224 4.555 4.340 -0.015 0.000 0.225 39 L C 0.305 177.068 176.870 -0.179 0.000 1.104 39 L CA -0.097 54.628 54.840 -0.193 0.000 0.866 39 L CB 0.093 42.039 42.059 -0.188 0.000 1.047 39 L HN -0.033 nan 8.230 nan 0.000 0.468 40 V N 0.592 120.386 119.914 -0.200 0.000 5.949 40 V HA -0.286 3.825 4.120 -0.015 0.000 0.287 40 V C -0.045 175.930 176.094 -0.199 0.000 0.603 40 V CA 1.132 63.288 62.300 -0.240 0.000 0.608 40 V CB -2.239 29.472 31.823 -0.186 0.000 0.259 40 V HN 0.419 nan 8.190 nan 0.000 0.742 41 K N 0.839 121.128 120.400 -0.185 0.000 2.480 41 K HA 0.719 5.030 4.320 -0.015 0.000 0.258 41 K C -0.512 176.047 176.600 -0.067 0.000 0.990 41 K CA -0.519 55.694 56.287 -0.123 0.000 0.857 41 K CB 2.803 35.226 32.500 -0.127 0.000 1.384 41 K HN 0.480 nan 8.250 nan 0.000 0.446 42 D N -0.672 119.713 120.400 -0.026 0.000 2.467 42 D HA 0.305 4.936 4.640 -0.015 0.000 0.245 42 D C 0.665 176.994 176.300 0.050 0.000 1.038 42 D CA -0.671 53.348 54.000 0.032 0.000 1.038 42 D CB 0.882 41.706 40.800 0.039 0.000 1.278 42 D HN 0.109 nan 8.370 nan 0.000 0.564 43 R N -0.036 120.526 120.500 0.104 0.000 2.241 43 R HA -0.011 4.320 4.340 -0.015 0.000 0.224 43 R C 0.819 177.194 176.300 0.125 0.000 1.101 43 R CA 0.507 56.709 56.100 0.170 0.000 0.995 43 R CB -0.642 29.763 30.300 0.176 0.000 0.870 43 R HN 0.516 nan 8.270 nan 0.000 0.463 44 N N 0.154 118.894 118.700 0.067 0.000 2.376 44 N HA -0.080 4.651 4.740 -0.015 0.000 0.177 44 N C 1.671 177.199 175.510 0.030 0.000 1.024 44 N CA 1.304 54.383 53.050 0.048 0.000 0.893 44 N CB 0.307 38.811 38.487 0.030 0.000 0.980 44 N HN 0.220 nan 8.380 nan 0.000 0.439 45 V N -2.641 117.277 119.914 0.007 0.000 3.645 45 V HA 0.497 4.608 4.120 -0.015 0.000 0.275 45 V C 0.904 176.963 176.094 -0.059 0.000 1.356 45 V CA -0.417 61.871 62.300 -0.019 0.000 1.051 45 V CB -0.423 31.382 31.823 -0.030 0.000 0.828 45 V HN 0.041 nan 8.190 nan 0.000 0.441 46 A N 2.624 125.385 122.820 -0.099 0.000 2.546 46 A HA 0.496 4.806 4.320 -0.015 0.000 0.243 46 A C 0.800 178.205 177.584 -0.298 0.000 1.063 46 A CA 0.896 52.763 52.037 -0.285 0.000 0.757 46 A CB -0.383 18.313 19.000 -0.507 0.000 0.991 46 A HN 0.853 nan 8.150 nan 0.000 0.503 47 T N 0.657 115.045 114.554 -0.277 0.000 2.927 47 T HA 0.533 4.874 4.350 -0.015 0.000 0.281 47 T C -1.967 172.652 174.700 -0.135 0.000 0.998 47 T CA -1.717 60.305 62.100 -0.131 0.000 1.019 47 T CB 1.108 69.941 68.868 -0.058 0.000 1.061 47 T HN 0.278 nan 8.240 nan 0.000 0.518 48 P HA -0.119 nan 4.420 nan 0.000 0.216 48 P C 1.605 179.025 177.300 0.200 0.000 1.150 48 P CA 1.029 64.272 63.100 0.238 0.000 0.843 48 P CB 0.047 31.851 31.700 0.173 0.000 0.787 49 R N -0.100 120.463 120.500 0.105 0.000 2.096 49 R HA -0.136 4.195 4.340 -0.015 0.000 0.235 49 R C 1.715 178.192 176.300 0.295 0.000 1.127 49 R CA 1.698 57.904 56.100 0.177 0.000 0.968 49 R CB -0.641 29.676 30.300 0.029 0.000 0.861 49 R HN 0.108 nan 8.270 nan 0.000 0.440 50 D N -0.326 120.112 120.400 0.064 0.000 2.123 50 D HA -0.203 4.428 4.640 -0.015 0.000 0.196 50 D C 1.713 178.022 176.300 0.016 0.000 0.992 50 D CA 1.375 55.355 54.000 -0.033 0.000 0.833 50 D CB -0.302 40.338 40.800 -0.266 0.000 0.954 50 D HN 0.306 nan 8.370 nan 0.000 0.455 51 Y N 0.109 120.519 120.300 0.184 0.000 2.181 51 Y HA -0.207 4.334 4.550 -0.015 0.000 0.288 51 Y C 2.339 178.393 175.900 0.258 0.000 1.146 51 Y CA 0.368 58.628 58.100 0.267 0.000 1.164 51 Y CB -1.185 37.486 38.460 0.352 0.000 0.982 51 Y HN 0.082 nan 8.280 nan 0.000 0.515 52 Y N -0.404 120.062 120.300 0.277 0.000 2.097 52 Y HA -0.315 4.226 4.550 -0.015 0.000 0.282 52 Y C 2.028 177.934 175.900 0.010 0.000 1.152 52 Y CA 1.431 59.599 58.100 0.114 0.000 1.136 52 Y CB -1.160 37.288 38.460 -0.021 0.000 0.975 52 Y HN 0.049 nan 8.280 nan 0.000 0.498 53 F N 0.179 119.939 119.950 -0.317 0.000 2.171 53 F HA -0.148 4.370 4.527 -0.015 0.000 0.300 53 F C 2.647 178.286 175.800 -0.268 0.000 1.090 53 F CA 1.417 59.174 58.000 -0.404 0.000 1.293 53 F CB -0.881 38.034 39.000 -0.142 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.214 122.532 122.820 -0.123 0.000 1.902 54 A HA -0.183 4.128 4.320 -0.015 0.000 0.217 54 A C 2.066 179.482 177.584 -0.281 0.000 1.181 54 A CA 1.608 53.423 52.037 -0.370 0.000 0.623 54 A CB -1.021 17.431 19.000 -0.913 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.443 55 L N -0.220 120.968 121.223 -0.058 0.000 2.027 55 L HA -0.023 4.308 4.340 -0.015 0.000 0.206 55 L C 2.687 179.543 176.870 -0.022 0.000 1.074 55 L CA 2.224 57.178 54.840 0.190 0.000 0.745 55 L CB -0.968 41.290 42.059 0.332 0.000 0.898 55 L HN 0.339 nan 8.230 nan 0.000 0.433 56 A N -1.201 121.434 122.820 -0.308 0.000 1.883 56 A HA -0.300 4.011 4.320 -0.015 0.000 0.217 56 A C 2.149 179.377 177.584 -0.594 0.000 1.186 56 A CA 2.118 53.842 52.037 -0.522 0.000 0.624 56 A CB -1.135 17.214 19.000 -1.084 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.805 117.935 119.070 -0.551 0.000 2.387 57 H HA -0.057 4.489 4.556 -0.015 0.000 0.299 57 H C 2.376 177.421 175.328 -0.472 0.000 1.090 57 H CA 2.002 57.655 56.048 -0.658 0.000 1.332 57 H CB -0.293 28.834 29.762 -1.059 0.000 1.386 57 H HN 0.461 nan 8.280 nan 0.000 0.516 58 T N -0.242 114.253 114.554 -0.099 0.000 2.708 58 T HA -0.148 4.193 4.350 -0.015 0.000 0.266 58 T C 2.265 177.129 174.700 0.273 0.000 1.037 58 T CA 1.465 63.697 62.100 0.221 0.000 1.146 58 T CB -0.433 68.632 68.868 0.329 0.000 0.865 58 T HN 0.092 nan 8.240 nan 0.000 0.435 59 V N 2.094 122.136 119.914 0.212 0.000 2.307 59 V HA -0.157 3.954 4.120 -0.015 0.000 0.245 59 V C 2.641 178.905 176.094 0.284 0.000 1.045 59 V CA 1.915 64.381 62.300 0.276 0.000 1.024 59 V CB -0.709 31.266 31.823 0.252 0.000 0.651 59 V HN 0.460 nan 8.190 nan 0.000 0.449 60 R N 0.527 121.123 120.500 0.159 0.000 2.105 60 R HA -0.235 4.096 4.340 -0.015 0.000 0.239 60 R C 1.783 178.161 176.300 0.130 0.000 1.135 60 R CA 2.235 58.418 56.100 0.138 0.000 0.967 60 R CB -0.652 29.551 30.300 -0.161 0.000 0.861 60 R HN 0.428 nan 8.270 nan 0.000 0.442 61 D N 0.387 120.852 120.400 0.109 0.000 2.190 61 D HA -0.172 4.459 4.640 -0.015 0.000 0.200 61 D C 1.663 177.966 176.300 0.004 0.000 0.992 61 D CA 1.160 55.200 54.000 0.066 0.000 0.854 61 D CB -0.393 40.441 40.800 0.057 0.000 0.936 61 D HN 0.504 nan 8.370 nan 0.000 0.462 62 H N -0.346 118.780 119.070 0.093 0.000 2.524 62 H HA 0.057 4.604 4.556 -0.015 0.000 0.282 62 H C 2.152 177.515 175.328 0.057 0.000 1.016 62 H CA 0.347 56.435 56.048 0.068 0.000 1.270 62 H CB 0.371 30.165 29.762 0.054 0.000 1.394 62 H HN 0.207 nan 8.280 nan 0.000 0.568 63 L N -0.229 121.095 121.223 0.168 0.000 2.209 63 L HA -0.080 4.251 4.340 -0.015 0.000 0.207 63 L C 2.493 179.468 176.870 0.175 0.000 1.094 63 L CA 0.145 55.052 54.840 0.111 0.000 0.790 63 L CB -0.023 42.064 42.059 0.048 0.000 0.932 63 L HN 0.016 nan 8.230 nan 0.000 0.447 64 V N 0.351 120.382 119.914 0.195 0.000 2.255 64 V HA -0.266 3.845 4.120 -0.015 0.000 0.247 64 V C 2.641 178.839 176.094 0.173 0.000 1.051 64 V CA 2.223 64.664 62.300 0.234 0.000 1.018 64 V CB -1.432 30.480 31.823 0.149 0.000 0.641 64 V HN 0.564 nan 8.190 nan 0.000 0.445 65 G N -0.272 108.587 108.800 0.099 0.000 2.446 65 G HA2 -0.275 3.676 3.960 -0.015 0.000 0.217 65 G HA3 -0.275 3.676 3.960 -0.015 0.000 0.217 65 G C 1.737 176.681 174.900 0.072 0.000 1.168 65 G CA 0.994 46.131 45.100 0.062 0.000 0.771 65 G HN 0.462 nan 8.290 nan 0.000 0.551 66 R N -1.464 119.087 120.500 0.084 0.000 2.096 66 R HA -0.086 4.245 4.340 -0.015 0.000 0.235 66 R C 2.271 178.647 176.300 0.127 0.000 1.127 66 R CA 1.209 57.347 56.100 0.064 0.000 0.968 66 R CB -0.342 29.979 30.300 0.034 0.000 0.861 66 R HN 0.492 nan 8.270 nan 0.000 0.440 67 W N 1.470 122.745 121.300 -0.041 0.000 2.379 67 W HA -0.041 4.610 4.660 -0.015 0.000 0.307 67 W C 1.726 178.212 176.519 -0.055 0.000 1.200 67 W CA 0.836 58.152 57.345 -0.048 0.000 1.297 67 W CB -0.604 28.844 29.460 -0.020 0.000 1.140 67 W HN -0.046 nan 8.180 nan 0.000 0.507 68 I N 1.108 121.735 120.570 0.094 0.000 2.226 68 I HA -0.353 3.808 4.170 -0.015 0.000 0.245 68 I C 2.717 178.819 176.117 -0.025 0.000 1.100 68 I CA 2.051 63.324 61.300 -0.045 0.000 1.374 68 I CB -0.622 37.353 38.000 -0.041 0.000 1.057 68 I HN -0.016 nan 8.210 nan 0.000 0.413 69 R N 0.356 120.856 120.500 0.000 0.000 2.115 69 R HA -0.056 4.275 4.340 -0.015 0.000 0.226 69 R C 1.935 178.200 176.300 -0.057 0.000 1.100 69 R CA 1.555 57.644 56.100 -0.018 0.000 0.980 69 R CB -1.188 29.102 30.300 -0.017 0.000 0.875 69 R HN 0.174 nan 8.270 nan 0.000 0.445 70 T N 1.734 116.233 114.554 -0.092 0.000 2.674 70 T HA -0.111 4.230 4.350 -0.015 0.000 0.265 70 T C 1.847 176.283 174.700 -0.439 0.000 1.039 70 T CA 1.447 63.381 62.100 -0.276 0.000 1.150 70 T CB -0.127 68.616 68.868 -0.209 0.000 0.864 70 T HN 0.260 nan 8.240 nan 0.000 0.427 71 Q N 1.267 120.957 119.800 -0.184 0.000 2.119 71 Q HA -0.129 4.202 4.340 -0.015 0.000 0.201 71 Q C 2.539 178.557 176.000 0.030 0.000 0.972 71 Q CA 1.289 57.058 55.803 -0.055 0.000 0.847 71 Q CB -0.502 28.232 28.738 -0.006 0.000 0.903 71 Q HN 0.818 nan 8.270 nan 0.000 0.433 72 Q N -0.592 119.215 119.800 0.012 0.000 2.172 72 Q HA -0.196 4.135 4.340 -0.015 0.000 0.200 72 Q C 1.789 177.879 176.000 0.150 0.000 0.964 72 Q CA 1.537 57.394 55.803 0.090 0.000 0.855 72 Q CB -0.548 28.219 28.738 0.048 0.000 0.918 72 Q HN 0.428 nan 8.270 nan 0.000 0.444 73 H N 0.285 119.335 119.070 -0.034 0.000 2.319 73 H HA -0.178 4.369 4.556 -0.015 0.000 0.299 73 H C 1.228 176.624 175.328 0.113 0.000 1.092 73 H CA 2.182 58.219 56.048 -0.018 0.000 1.302 73 H CB -0.227 29.459 29.762 -0.128 0.000 1.373 73 H HN 0.305 nan 8.280 nan 0.000 0.497 74 Y N -1.006 119.330 120.300 0.060 0.000 2.224 74 Y HA -0.190 4.351 4.550 -0.015 0.000 0.289 74 Y C 2.437 178.365 175.900 0.046 0.000 1.146 74 Y CA 1.047 59.157 58.100 0.016 0.000 1.182 74 Y CB -1.370 37.160 38.460 0.117 0.000 0.983 74 Y HN 0.361 nan 8.280 nan 0.000 0.524 75 Y N 1.264 121.646 120.300 0.136 0.000 2.181 75 Y HA -0.182 4.359 4.550 -0.015 0.000 0.288 75 Y C 2.119 178.029 175.900 0.017 0.000 1.146 75 Y CA 1.746 59.888 58.100 0.071 0.000 1.164 75 Y CB -0.048 38.447 38.460 0.057 0.000 0.982 75 Y HN 0.018 nan 8.280 nan 0.000 0.515 76 E N 0.373 120.569 120.200 -0.007 0.000 2.046 76 E HA -0.148 4.193 4.350 -0.015 0.000 0.190 76 E C 2.025 178.534 176.600 -0.152 0.000 0.982 76 E CA 1.223 57.560 56.400 -0.104 0.000 0.800 76 E CB -0.256 29.442 29.700 -0.003 0.000 0.756 76 E HN 0.490 nan 8.360 nan 0.000 0.449 77 K N 0.632 120.925 120.400 -0.178 0.000 2.296 77 K HA -0.075 4.236 4.320 -0.015 0.000 0.200 77 K C -0.067 176.465 176.600 -0.112 0.000 1.048 77 K CA 0.413 56.599 56.287 -0.169 0.000 0.966 77 K CB 0.016 32.346 32.500 -0.282 0.000 0.754 77 K HN -0.007 nan 8.250 nan 0.000 0.466 78 D N 1.119 121.461 120.400 -0.096 0.000 2.740 78 D HA -0.105 4.526 4.640 -0.015 0.000 0.231 78 D C -2.434 173.835 176.300 -0.051 0.000 1.194 78 D CA 0.065 54.023 54.000 -0.070 0.000 0.673 78 D CB -0.030 40.703 40.800 -0.111 0.000 0.995 78 D HN 0.167 nan 8.370 nan 0.000 0.411 79 P HA 0.107 nan 4.420 nan 0.000 0.277 79 P C -0.173 177.085 177.300 -0.070 0.000 1.271 79 P CA -0.615 62.448 63.100 -0.062 0.000 0.795 79 P CB 0.627 32.276 31.700 -0.085 0.000 1.101 80 K N 1.240 121.602 120.400 -0.063 0.000 2.451 80 K HA 0.034 4.345 4.320 -0.015 0.000 0.280 80 K C 0.159 176.674 176.600 -0.142 0.000 1.020 80 K CA -0.089 56.154 56.287 -0.072 0.000 1.008 80 K CB 0.278 32.753 32.500 -0.043 0.000 0.917 80 K HN 0.298 nan 8.250 nan 0.000 0.478 81 R N 4.453 124.858 120.500 -0.159 0.000 2.368 81 R HA 0.348 4.679 4.340 -0.015 0.000 0.302 81 R C -0.196 175.843 176.300 -0.436 0.000 1.002 81 R CA -0.819 55.106 56.100 -0.292 0.000 0.929 81 R CB 0.777 30.915 30.300 -0.269 0.000 1.073 81 R HN 0.503 nan 8.270 nan 0.000 0.464 82 I N 3.749 123.996 120.570 -0.539 0.000 2.339 82 I HA 0.255 4.416 4.170 -0.015 0.000 0.290 82 I C -0.489 175.322 176.117 -0.511 0.000 0.994 82 I CA -1.017 59.924 61.300 -0.598 0.000 1.191 82 I CB 0.557 38.066 38.000 -0.817 0.000 1.343 82 I HN 0.441 nan 8.210 nan 0.000 0.458 83 Y N 5.916 126.182 120.300 -0.057 0.000 2.356 83 Y HA 0.286 4.827 4.550 -0.015 0.000 0.334 83 Y C -0.274 175.729 175.900 0.171 0.000 0.958 83 Y CA -0.691 57.493 58.100 0.140 0.000 1.196 83 Y CB 1.087 39.583 38.460 0.060 0.000 1.137 83 Y HN 0.399 nan 8.280 nan 0.000 0.485 84 Y N 4.574 125.050 120.300 0.294 0.000 2.518 84 Y HA 0.457 4.998 4.550 -0.015 0.000 0.344 84 Y C -1.204 174.961 175.900 0.441 0.000 0.982 84 Y CA -0.933 57.351 58.100 0.307 0.000 1.234 84 Y CB 0.253 38.893 38.460 0.299 0.000 1.114 84 Y HN 0.500 nan 8.280 nan 0.000 0.515 85 L N 4.865 126.163 121.223 0.125 0.000 2.265 85 L HA 0.468 4.799 4.340 -0.015 0.000 0.288 85 L C -0.153 176.756 176.870 0.065 0.000 1.058 85 L CA 0.127 55.092 54.840 0.208 0.000 0.809 85 L CB 1.282 43.423 42.059 0.136 0.000 1.179 85 L HN 0.560 nan 8.230 nan 0.000 0.429 86 S N 2.674 118.495 115.700 0.201 0.000 2.536 86 S HA 0.479 4.940 4.470 -0.015 0.000 0.271 86 S C 0.342 175.042 174.600 0.167 0.000 1.134 86 S CA -0.623 57.584 58.200 0.011 0.000 0.897 86 S CB 1.018 63.965 63.200 -0.422 0.000 1.094 86 S HN 0.486 nan 8.310 nan 0.000 0.473 87 L N 2.408 123.760 121.223 0.215 0.000 2.558 87 L HA 0.375 4.706 4.340 -0.015 0.000 0.225 87 L C 0.190 177.265 176.870 0.340 0.000 1.128 87 L CA 1.165 56.201 54.840 0.327 0.000 0.868 87 L CB -0.763 41.502 42.059 0.343 0.000 1.006 87 L HN 0.701 nan 8.230 nan 0.000 0.454 88 E N -0.803 119.467 120.200 0.117 0.000 2.275 88 E HA 0.371 4.712 4.350 -0.015 0.000 0.270 88 E C -1.521 174.965 176.600 -0.189 0.000 0.882 88 E CA -0.350 56.101 56.400 0.085 0.000 0.758 88 E CB 2.024 31.753 29.700 0.050 0.000 1.195 88 E HN -0.150 nan 8.360 nan 0.000 0.419 89 F N 2.297 122.351 119.950 0.173 0.000 2.610 89 F HA 0.189 4.706 4.527 -0.015 0.000 0.355 89 F C -0.797 175.079 175.800 0.126 0.000 1.140 89 F CA -0.794 57.292 58.000 0.144 0.000 1.037 89 F CB 0.968 40.044 39.000 0.126 0.000 1.287 89 F HN 0.481 nan 8.300 nan 0.000 0.457 90 Y N 5.336 125.704 120.300 0.113 0.000 2.691 90 Y HA 0.236 4.777 4.550 -0.015 0.000 0.338 90 Y C 0.846 176.757 175.900 0.019 0.000 1.148 90 Y CA -1.089 57.027 58.100 0.027 0.000 1.430 90 Y CB 0.397 38.853 38.460 -0.006 0.000 1.303 90 Y HN 0.555 nan 8.280 nan 0.000 0.499 91 M N 1.779 121.531 119.600 0.252 0.000 2.334 91 M HA 0.130 4.601 4.480 -0.015 0.000 0.266 91 M C 1.563 177.848 176.300 -0.025 0.000 1.082 91 M CA 1.046 56.389 55.300 0.073 0.000 1.141 91 M CB -1.186 31.425 32.600 0.018 0.000 1.380 91 M HN 0.716 nan 8.290 nan 0.000 0.440 92 G N 1.384 110.194 108.800 0.016 0.000 2.569 92 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.259 92 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.259 92 G C -0.187 174.670 174.900 -0.071 0.000 1.263 92 G CA -0.303 44.758 45.100 -0.064 0.000 0.928 92 G HN 0.440 nan 8.290 nan 0.000 0.572 93 R N -0.636 119.798 120.500 -0.110 0.000 2.531 93 R HA 0.548 4.879 4.340 -0.015 0.000 0.273 93 R C 0.954 177.124 176.300 -0.216 0.000 1.070 93 R CA 0.300 56.339 56.100 -0.103 0.000 1.112 93 R CB 0.700 30.949 30.300 -0.086 0.000 1.049 93 R HN 0.533 nan 8.270 nan 0.000 0.508 94 T N 1.071 115.435 114.554 -0.317 0.000 2.969 94 T HA -0.007 4.334 4.350 -0.015 0.000 0.250 94 T C 1.450 175.722 174.700 -0.712 0.000 1.021 94 T CA -0.150 61.543 62.100 -0.678 0.000 1.003 94 T CB 0.154 68.259 68.868 -1.272 0.000 1.040 94 T HN 0.311 nan 8.240 nan 0.000 0.492 95 L N 1.942 122.973 121.223 -0.319 0.000 1.976 95 L HA -0.005 4.326 4.340 -0.015 0.000 0.209 95 L C 2.460 179.278 176.870 -0.086 0.000 1.071 95 L CA 2.010 56.831 54.840 -0.031 0.000 0.746 95 L CB -0.700 41.566 42.059 0.346 0.000 0.890 95 L HN 0.171 nan 8.230 nan 0.000 0.432 96 Q N -0.723 119.030 119.800 -0.078 0.000 2.084 96 Q HA -0.255 4.076 4.340 -0.015 0.000 0.202 96 Q C 2.237 178.155 176.000 -0.136 0.000 0.978 96 Q CA 1.869 57.622 55.803 -0.084 0.000 0.844 96 Q CB -0.311 28.377 28.738 -0.084 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.426 97 N N -0.990 117.587 118.700 -0.204 0.000 2.104 97 N HA -0.157 4.573 4.740 -0.015 0.000 0.190 97 N C 1.379 176.771 175.510 -0.198 0.000 1.024 97 N CA 1.844 54.764 53.050 -0.216 0.000 0.853 97 N CB 0.050 38.375 38.487 -0.271 0.000 1.008 97 N HN 0.228 nan 8.380 nan 0.000 0.424 98 T N 1.300 115.699 114.554 -0.258 0.000 2.777 98 T HA -0.067 4.274 4.350 -0.015 0.000 0.266 98 T C 2.076 176.705 174.700 -0.118 0.000 1.040 98 T CA 1.121 63.090 62.100 -0.218 0.000 1.141 98 T CB -0.082 68.609 68.868 -0.294 0.000 0.868 98 T HN 0.269 nan 8.240 nan 0.000 0.444 99 M N 0.602 120.149 119.600 -0.088 0.000 2.086 99 M HA -0.092 4.379 4.480 -0.015 0.000 0.261 99 M C 2.505 178.765 176.300 -0.066 0.000 1.067 99 M CA 1.271 56.534 55.300 -0.062 0.000 1.116 99 M CB -0.727 31.854 32.600 -0.032 0.000 1.348 99 M HN 0.091 nan 8.290 nan 0.000 0.407 100 V N 1.109 120.989 119.914 -0.057 0.000 2.255 100 V HA -0.296 3.815 4.120 -0.015 0.000 0.247 100 V C 1.805 177.901 176.094 0.004 0.000 1.051 100 V CA 2.087 64.379 62.300 -0.013 0.000 1.018 100 V CB -0.920 30.897 31.823 -0.010 0.000 0.641 100 V HN 0.481 nan 8.190 nan 0.000 0.445 101 N N -0.451 118.237 118.700 -0.020 0.000 2.459 101 N HA -0.044 4.687 4.740 -0.015 0.000 0.181 101 N C 1.064 176.475 175.510 -0.164 0.000 1.046 101 N CA 0.708 53.730 53.050 -0.046 0.000 0.904 101 N CB -0.096 38.370 38.487 -0.033 0.000 0.964 101 N HN 0.293 nan 8.380 nan 0.000 0.444 102 L N -0.392 120.750 121.223 -0.136 0.000 2.640 102 L HA 0.407 4.738 4.340 -0.015 0.000 0.230 102 L C 0.614 177.394 176.870 -0.150 0.000 1.123 102 L CA -0.210 54.547 54.840 -0.138 0.000 0.900 102 L CB -0.672 41.326 42.059 -0.102 0.000 1.146 102 L HN 0.095 nan 8.230 nan 0.000 0.484 103 A N -0.599 122.131 122.820 -0.150 0.000 2.869 103 A HA -0.217 4.094 4.320 -0.015 0.000 0.280 103 A C 1.020 178.543 177.584 -0.102 0.000 1.458 103 A CA 0.966 52.928 52.037 -0.125 0.000 0.776 103 A CB -2.014 16.899 19.000 -0.144 0.000 1.028 103 A HN 0.220 nan 8.150 nan 0.000 0.547 104 L N -0.808 120.354 121.223 -0.102 0.000 2.693 104 L HA 0.255 4.586 4.340 -0.015 0.000 0.235 104 L C 1.843 178.674 176.870 -0.065 0.000 1.127 104 L CA 1.457 56.232 54.840 -0.108 0.000 0.914 104 L CB -0.158 41.806 42.059 -0.159 0.000 1.193 104 L HN 0.599 nan 8.230 nan 0.000 0.502 105 E N -0.122 120.049 120.200 -0.048 0.000 2.031 105 E HA -0.220 4.121 4.350 -0.015 0.000 0.193 105 E C 1.550 178.135 176.600 -0.023 0.000 0.994 105 E CA 1.256 57.639 56.400 -0.029 0.000 0.800 105 E CB 0.248 29.933 29.700 -0.025 0.000 0.752 105 E HN 0.415 nan 8.360 nan 0.000 0.447 106 N N 0.124 118.807 118.700 -0.028 0.000 2.142 106 N HA -0.115 4.615 4.740 -0.015 0.000 0.186 106 N C 1.575 177.070 175.510 -0.024 0.000 1.023 106 N CA 1.179 54.212 53.050 -0.027 0.000 0.852 106 N CB -0.353 38.117 38.487 -0.029 0.000 0.998 106 N HN 0.192 nan 8.380 nan 0.000 0.424 107 A N 0.467 123.272 122.820 -0.026 0.000 1.883 107 A HA -0.160 4.151 4.320 -0.015 0.000 0.217 107 A C 2.675 180.254 177.584 -0.008 0.000 1.186 107 A CA 1.429 53.454 52.037 -0.019 0.000 0.624 107 A CB -1.048 17.932 19.000 -0.034 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.444 108 C N -0.909 118.386 119.300 -0.008 0.000 2.440 108 C HA -0.067 4.384 4.460 -0.015 0.000 0.278 108 C C 2.485 177.481 174.990 0.010 0.000 1.295 108 C CA 1.056 60.082 59.018 0.013 0.000 1.738 108 C CB -1.114 26.645 27.740 0.031 0.000 1.987 108 C HN 0.672 nan 8.230 nan 0.000 0.492 109 D N 0.656 121.059 120.400 0.005 0.000 2.104 109 D HA -0.146 4.485 4.640 -0.015 0.000 0.194 109 D C 2.122 178.436 176.300 0.024 0.000 0.994 109 D CA 1.534 55.538 54.000 0.007 0.000 0.830 109 D CB -0.268 40.522 40.800 -0.016 0.000 0.959 109 D HN 0.466 nan 8.370 nan 0.000 0.452 110 E N 0.378 120.586 120.200 0.013 0.000 2.031 110 E HA -0.086 4.255 4.350 -0.015 0.000 0.193 110 E C 1.902 178.540 176.600 0.063 0.000 0.994 110 E CA 1.698 58.126 56.400 0.046 0.000 0.800 110 E CB -0.591 29.120 29.700 0.020 0.000 0.752 110 E HN 0.207 nan 8.360 nan 0.000 0.447 111 A N -0.125 122.703 122.820 0.012 0.000 1.883 111 A HA -0.233 4.078 4.320 -0.015 0.000 0.217 111 A C 2.507 180.025 177.584 -0.110 0.000 1.186 111 A CA 3.039 55.057 52.037 -0.030 0.000 0.624 111 A CB -1.524 17.465 19.000 -0.020 0.000 0.822 111 A HN 0.533 nan 8.150 nan 0.000 0.444 112 T N -3.657 110.826 114.554 -0.119 0.000 2.777 112 T HA -0.225 4.116 4.350 -0.015 0.000 0.266 112 T C 1.865 176.491 174.700 -0.123 0.000 1.040 112 T CA 1.546 63.519 62.100 -0.212 0.000 1.141 112 T CB -0.632 68.153 68.868 -0.139 0.000 0.868 112 T HN 0.460 nan 8.240 nan 0.000 0.444 113 Y N 2.241 122.464 120.300 -0.127 0.000 2.165 113 Y HA -0.115 4.427 4.550 -0.014 0.000 0.286 113 Y C 2.615 178.456 175.900 -0.098 0.000 1.155 113 Y CA 1.607 59.650 58.100 -0.095 0.000 1.164 113 Y CB -0.526 37.898 38.460 -0.061 0.000 0.978 113 Y HN 0.270 nan 8.280 nan 0.000 0.513 114 Q N -0.998 118.732 119.800 -0.117 0.000 2.291 114 Q HA -0.103 4.228 4.340 -0.015 0.000 0.205 114 Q C 1.377 177.251 176.000 -0.209 0.000 0.970 114 Q CA 0.755 56.451 55.803 -0.178 0.000 0.876 114 Q CB -0.021 28.683 28.738 -0.056 0.000 0.935 114 Q HN 0.355 nan 8.270 nan 0.000 0.455 115 L N -1.031 120.051 121.223 -0.236 0.000 2.591 115 L HA 0.171 4.502 4.340 -0.015 0.000 0.228 115 L C 1.095 177.804 176.870 -0.269 0.000 1.133 115 L CA 1.087 55.772 54.840 -0.258 0.000 0.880 115 L CB -0.130 41.697 42.059 -0.388 0.000 1.033 115 L HN 0.288 nan 8.230 nan 0.000 0.450 116 G N -0.239 108.389 108.800 -0.286 0.000 2.149 116 G HA2 -0.235 3.716 3.960 -0.015 0.000 0.235 116 G HA3 -0.235 3.716 3.960 -0.015 0.000 0.235 116 G C 0.034 174.801 174.900 -0.223 0.000 1.018 116 G CA 0.221 45.166 45.100 -0.259 0.000 0.728 116 G HN 0.266 nan 8.290 nan 0.000 0.508 117 L N -0.225 120.866 121.223 -0.220 0.000 2.354 117 L HA 0.620 4.951 4.340 -0.015 0.000 0.269 117 L C -0.667 176.177 176.870 -0.044 0.000 1.005 117 L CA -1.194 53.546 54.840 -0.166 0.000 0.819 117 L CB 1.941 43.836 42.059 -0.273 0.000 1.311 117 L HN 0.075 nan 8.230 nan 0.000 0.423 118 D N 1.975 122.379 120.400 0.006 0.000 2.317 118 D HA 0.195 4.826 4.640 -0.015 0.000 0.234 118 D C 0.572 176.907 176.300 0.058 0.000 1.112 118 D CA -0.246 53.786 54.000 0.054 0.000 0.840 118 D CB 1.623 42.460 40.800 0.061 0.000 1.078 118 D HN 0.509 nan 8.370 nan 0.000 0.486 119 M N 3.211 122.846 119.600 0.058 0.000 2.159 119 M HA -0.120 4.350 4.480 -0.015 0.000 0.263 119 M C 1.300 177.647 176.300 0.078 0.000 1.063 119 M CA 1.450 56.793 55.300 0.072 0.000 1.110 119 M CB 0.219 32.853 32.600 0.057 0.000 1.374 119 M HN 0.421 nan 8.290 nan 0.000 0.411 120 E N -0.125 120.111 120.200 0.060 0.000 2.110 120 E HA -0.263 4.078 4.350 -0.015 0.000 0.193 120 E C 1.835 178.473 176.600 0.063 0.000 0.988 120 E CA 1.454 57.886 56.400 0.054 0.000 0.804 120 E CB -0.217 29.510 29.700 0.045 0.000 0.745 120 E HN 0.654 nan 8.360 nan 0.000 0.458 121 E N 0.643 120.886 120.200 0.071 0.000 2.077 121 E HA -0.203 4.138 4.350 -0.015 0.000 0.193 121 E C 1.972 178.624 176.600 0.086 0.000 0.989 121 E CA 0.656 57.102 56.400 0.076 0.000 0.800 121 E CB 0.144 29.890 29.700 0.077 0.000 0.746 121 E HN 0.074 nan 8.360 nan 0.000 0.452 122 L N 1.486 122.780 121.223 0.119 0.000 2.093 122 L HA -0.135 4.196 4.340 -0.015 0.000 0.208 122 L C 2.123 179.069 176.870 0.128 0.000 1.085 122 L CA 1.650 56.596 54.840 0.177 0.000 0.755 122 L CB -0.637 41.577 42.059 0.259 0.000 0.904 122 L HN 0.149 nan 8.230 nan 0.000 0.435 123 E N -0.664 119.598 120.200 0.103 0.000 2.153 123 E HA -0.202 4.139 4.350 -0.015 0.000 0.194 123 E C 1.816 178.391 176.600 -0.041 0.000 0.988 123 E CA 0.865 57.296 56.400 0.053 0.000 0.811 123 E CB -0.013 29.717 29.700 0.050 0.000 0.746 123 E HN 0.412 nan 8.360 nan 0.000 0.466 124 E N 0.236 120.427 120.200 -0.016 0.000 2.409 124 E HA -0.109 4.232 4.350 -0.015 0.000 0.198 124 E C 1.831 178.386 176.600 -0.074 0.000 1.024 124 E CA 0.540 56.930 56.400 -0.016 0.000 0.861 124 E CB 0.047 29.772 29.700 0.043 0.000 0.788 124 E HN 0.417 nan 8.360 nan 0.000 0.521 125 I N 0.739 121.206 120.570 -0.172 0.000 2.617 125 I HA -0.097 4.064 4.170 -0.015 0.000 0.256 125 I C 1.382 177.224 176.117 -0.458 0.000 1.167 125 I CA 0.220 61.355 61.300 -0.274 0.000 1.469 125 I CB 0.118 37.964 38.000 -0.256 0.000 1.098 125 I HN -0.031 nan 8.210 nan 0.000 0.436 126 E N 2.676 122.493 120.200 -0.639 0.000 2.376 126 E HA -0.030 4.311 4.350 -0.015 0.000 0.266 126 E C -0.223 176.299 176.600 -0.129 0.000 1.009 126 E CA -0.225 55.857 56.400 -0.530 0.000 0.902 126 E CB 0.630 30.128 29.700 -0.338 0.000 0.972 126 E HN 0.092 nan 8.360 nan 0.000 0.439 127 E N 3.332 123.546 120.200 0.024 0.000 2.354 127 E HA 0.057 4.398 4.350 -0.015 0.000 0.269 127 E C -0.776 175.924 176.600 0.166 0.000 1.036 127 E CA -0.239 56.252 56.400 0.153 0.000 0.876 127 E CB 0.686 30.564 29.700 0.296 0.000 1.009 127 E HN 0.479 nan 8.360 nan 0.000 0.416 128 D N 0.766 121.240 120.400 0.123 0.000 2.455 128 D HA 0.140 4.771 4.640 -0.015 0.000 0.241 128 D C -0.295 176.040 176.300 0.059 0.000 1.138 128 D CA 0.151 54.202 54.000 0.084 0.000 0.877 128 D CB 0.583 41.430 40.800 0.078 0.000 1.187 128 D HN 0.367 nan 8.370 nan 0.000 0.451 129 A N 2.338 125.140 122.820 -0.030 0.000 2.671 129 A HA 0.465 4.776 4.320 -0.015 0.000 0.306 129 A C 1.034 178.437 177.584 -0.302 0.000 1.473 129 A CA -0.357 51.441 52.037 -0.399 0.000 1.155 129 A CB -0.319 18.519 19.000 -0.270 0.000 1.123 129 A HN 0.526 nan 8.150 nan 0.000 0.545 130 G N 2.158 110.697 108.800 -0.436 0.000 3.943 130 G HA2 0.423 4.374 3.960 -0.015 0.000 0.275 130 G HA3 0.423 4.374 3.960 -0.015 0.000 0.275 130 G C 0.280 174.832 174.900 -0.581 0.000 1.234 130 G CA -0.306 44.543 45.100 -0.418 0.000 1.522 130 G HN 0.688 nan 8.290 nan 0.000 0.636 131 L N 1.358 122.330 121.223 -0.418 0.000 2.862 131 L HA 0.398 4.729 4.340 -0.015 0.000 0.240 131 L C 1.014 177.805 176.870 -0.131 0.000 1.283 131 L CA -0.204 54.536 54.840 -0.167 0.000 1.117 131 L CB -0.306 41.789 42.059 0.060 0.000 1.444 131 L HN 0.336 nan 8.230 nan 0.000 0.456 132 G N -1.273 107.245 108.800 -0.470 0.000 2.623 132 G HA2 0.169 4.120 3.960 -0.015 0.000 0.290 132 G HA3 0.169 4.120 3.960 -0.015 0.000 0.290 132 G C -0.178 174.416 174.900 -0.509 0.000 1.437 132 G CA -0.466 44.426 45.100 -0.348 0.000 0.798 132 G HN -0.092 nan 8.290 nan 0.000 0.488 133 N N -0.794 117.803 118.700 -0.172 0.000 2.387 133 N HA 0.217 4.948 4.740 -0.015 0.000 0.176 133 N C 1.178 176.742 175.510 0.090 0.000 1.022 133 N CA 1.369 54.374 53.050 -0.074 0.000 0.883 133 N CB 1.220 39.724 38.487 0.028 0.000 1.019 133 N HN 0.884 nan 8.380 nan 0.000 0.435 134 G N -0.661 108.255 108.800 0.194 0.000 2.649 134 G HA2 0.141 4.092 3.960 -0.015 0.000 0.078 134 G HA3 0.141 4.092 3.960 -0.015 0.000 0.078 134 G C 0.729 175.720 174.900 0.152 0.000 1.110 134 G CA 0.217 45.451 45.100 0.224 0.000 1.269 134 G HN 0.163 nan 8.290 nan 0.000 0.581 135 G N 0.438 109.286 108.800 0.078 0.000 2.421 135 G HA2 -0.026 3.925 3.960 -0.015 0.000 0.216 135 G HA3 -0.026 3.925 3.960 -0.015 0.000 0.216 135 G C 1.905 176.785 174.900 -0.033 0.000 1.171 135 G CA 1.542 46.653 45.100 0.017 0.000 0.775 135 G HN 0.854 nan 8.290 nan 0.000 0.543 136 L N 0.656 121.842 121.223 -0.061 0.000 2.046 136 L HA 0.106 4.437 4.340 -0.015 0.000 0.208 136 L C 2.806 179.594 176.870 -0.136 0.000 1.077 136 L CA 1.998 56.712 54.840 -0.210 0.000 0.747 136 L CB -0.540 41.361 42.059 -0.263 0.000 0.896 136 L HN 0.226 nan 8.230 nan 0.000 0.432 137 G N -0.647 108.142 108.800 -0.018 0.000 2.402 137 G HA2 -0.298 3.653 3.960 -0.015 0.000 0.216 137 G HA3 -0.298 3.653 3.960 -0.015 0.000 0.216 137 G C 1.644 176.599 174.900 0.091 0.000 1.162 137 G CA 0.693 45.813 45.100 0.035 0.000 0.777 137 G HN 0.300 nan 8.290 nan 0.000 0.539 138 R N -0.006 120.556 120.500 0.103 0.000 2.115 138 R HA 0.137 4.468 4.340 -0.015 0.000 0.226 138 R C 2.316 178.604 176.300 -0.020 0.000 1.100 138 R CA 0.769 56.907 56.100 0.063 0.000 0.980 138 R CB -0.890 29.409 30.300 -0.001 0.000 0.875 138 R HN 0.323 nan 8.270 nan 0.000 0.445 139 L N 0.232 121.376 121.223 -0.132 0.000 2.042 139 L HA -0.045 4.286 4.340 -0.015 0.000 0.210 139 L C 2.091 178.671 176.870 -0.484 0.000 1.076 139 L CA 2.216 56.839 54.840 -0.362 0.000 0.749 139 L CB -0.867 40.936 42.059 -0.426 0.000 0.893 139 L HN 0.263 nan 8.230 nan 0.000 0.432 140 A N -0.660 122.010 122.820 -0.249 0.000 1.908 140 A HA -0.165 4.145 4.320 -0.015 0.000 0.218 140 A C 2.438 180.080 177.584 0.096 0.000 1.181 140 A CA 1.947 53.916 52.037 -0.112 0.000 0.627 140 A CB -1.153 17.735 19.000 -0.186 0.000 0.818 140 A HN 0.578 nan 8.150 nan 0.000 0.445 141 A N -1.078 121.828 122.820 0.143 0.000 1.873 141 A HA -0.148 4.163 4.320 -0.015 0.000 0.215 141 A C 2.320 179.975 177.584 0.119 0.000 1.186 141 A CA 1.617 53.761 52.037 0.178 0.000 0.616 141 A CB -1.281 17.810 19.000 0.153 0.000 0.823 141 A HN 0.597 nan 8.150 nan 0.000 0.442 142 C N -1.470 117.899 119.300 0.116 0.000 2.429 142 C HA -0.083 4.368 4.460 -0.015 0.000 0.277 142 C C 2.430 177.577 174.990 0.261 0.000 1.262 142 C CA 0.698 59.823 59.018 0.178 0.000 1.733 142 C CB -1.637 26.227 27.740 0.207 0.000 2.010 142 C HN 0.604 nan 8.230 nan 0.000 0.483 143 F N 1.190 121.122 119.950 -0.030 0.000 2.126 143 F HA -0.087 4.431 4.527 -0.015 0.000 0.299 143 F C 2.242 177.975 175.800 -0.112 0.000 1.096 143 F CA 1.065 58.994 58.000 -0.118 0.000 1.255 143 F CB -1.338 37.462 39.000 -0.334 0.000 0.997 143 F HN 0.202 nan 8.300 nan 0.000 0.479 144 L N -0.465 120.824 121.223 0.110 0.000 2.046 144 L HA -0.248 4.082 4.340 -0.015 0.000 0.208 144 L C 2.153 179.025 176.870 0.003 0.000 1.077 144 L CA 1.943 56.800 54.840 0.029 0.000 0.747 144 L CB -0.787 41.290 42.059 0.030 0.000 0.896 144 L HN 0.103 nan 8.230 nan 0.000 0.432 145 D N -0.466 119.948 120.400 0.023 0.000 2.097 145 D HA -0.176 4.455 4.640 -0.015 0.000 0.195 145 D C 2.205 178.514 176.300 0.016 0.000 0.989 145 D CA 1.487 55.487 54.000 0.000 0.000 0.827 145 D CB 0.209 41.008 40.800 -0.001 0.000 0.966 145 D HN 0.083 nan 8.370 nan 0.000 0.456 146 S N -0.715 115.011 115.700 0.043 0.000 2.383 146 S HA -0.106 4.355 4.470 -0.015 0.000 0.227 146 S C 1.983 176.589 174.600 0.011 0.000 1.026 146 S CA 0.825 59.043 58.200 0.031 0.000 0.981 146 S CB -0.214 63.010 63.200 0.040 0.000 0.818 146 S HN 0.340 nan 8.310 nan 0.000 0.472 147 M N 0.954 120.552 119.600 -0.004 0.000 2.159 147 M HA -0.105 4.366 4.480 -0.015 0.000 0.263 147 M C 2.452 178.746 176.300 -0.011 0.000 1.063 147 M CA 1.442 56.736 55.300 -0.011 0.000 1.110 147 M CB -0.497 32.074 32.600 -0.048 0.000 1.374 147 M HN 0.402 nan 8.290 nan 0.000 0.411 148 A N -0.315 122.494 122.820 -0.018 0.000 1.898 148 A HA -0.120 4.191 4.320 -0.015 0.000 0.216 148 A C 2.154 179.745 177.584 0.013 0.000 1.181 148 A CA 2.025 54.056 52.037 -0.011 0.000 0.620 148 A CB -1.076 17.900 19.000 -0.040 0.000 0.819 148 A HN 0.421 nan 8.150 nan 0.000 0.442 149 T N 0.271 114.839 114.554 0.022 0.000 2.881 149 T HA -0.005 4.336 4.350 -0.015 0.000 0.270 149 T C 1.307 176.033 174.700 0.043 0.000 1.068 149 T CA 1.129 63.257 62.100 0.047 0.000 1.131 149 T CB -0.268 68.637 68.868 0.061 0.000 0.871 149 T HN 0.334 nan 8.240 nan 0.000 0.479 150 L N 0.428 121.673 121.223 0.036 0.000 2.653 150 L HA 0.311 4.642 4.340 -0.015 0.000 0.231 150 L C 1.609 178.508 176.870 0.048 0.000 1.153 150 L CA -0.104 54.760 54.840 0.040 0.000 0.933 150 L CB -0.322 41.761 42.059 0.039 0.000 1.175 150 L HN 0.388 nan 8.230 nan 0.000 0.473 151 G N 1.031 109.863 108.800 0.052 0.000 2.249 151 G HA2 -0.284 3.667 3.960 -0.015 0.000 0.273 151 G HA3 -0.284 3.667 3.960 -0.015 0.000 0.273 151 G C 0.130 175.080 174.900 0.084 0.000 1.036 151 G CA 0.030 45.180 45.100 0.083 0.000 0.824 151 G HN 0.280 nan 8.290 nan 0.000 0.504 152 L N -0.123 121.115 121.223 0.027 0.000 2.350 152 L HA 0.591 4.922 4.340 -0.015 0.000 0.275 152 L C 1.263 178.007 176.870 -0.209 0.000 1.099 152 L CA -0.331 54.474 54.840 -0.058 0.000 0.808 152 L CB 1.546 43.580 42.059 -0.042 0.000 1.149 152 L HN 0.259 nan 8.230 nan 0.000 0.442 153 A N 3.141 125.694 122.820 -0.445 0.000 3.026 153 A HA 0.527 4.838 4.320 -0.015 0.000 0.272 153 A C 0.338 177.550 177.584 -0.620 0.000 1.782 153 A CA -0.110 51.371 52.037 -0.926 0.000 1.451 153 A CB -0.718 17.661 19.000 -1.035 0.000 1.081 153 A HN 0.699 nan 8.150 nan 0.000 0.611 154 A N 1.362 123.851 122.820 -0.552 0.000 2.350 154 A HA 0.795 5.106 4.320 -0.015 0.000 0.324 154 A C -1.063 176.206 177.584 -0.525 0.000 1.118 154 A CA -0.463 51.318 52.037 -0.428 0.000 0.783 154 A CB 0.821 19.653 19.000 -0.280 0.000 1.236 154 A HN 0.595 nan 8.150 nan 0.000 0.457 155 Y N 0.351 120.570 120.300 -0.135 0.000 2.373 155 Y HA 0.532 5.073 4.550 -0.015 0.000 0.336 155 Y C 0.831 176.813 175.900 0.138 0.000 0.979 155 Y CA -0.496 57.604 58.100 0.000 0.000 1.080 155 Y CB 2.407 40.957 38.460 0.149 0.000 1.190 155 Y HN 0.848 nan 8.280 nan 0.000 0.446 156 G N 2.193 111.071 108.800 0.129 0.000 2.338 156 G HA2 0.442 4.393 3.960 -0.015 0.000 0.298 156 G HA3 0.442 4.393 3.960 -0.015 0.000 0.298 156 G C -1.736 173.178 174.900 0.023 0.000 1.140 156 G CA -0.223 44.982 45.100 0.176 0.000 0.860 156 G HN 0.533 nan 8.290 nan 0.000 0.470 157 Y N 0.946 121.469 120.300 0.371 0.000 2.361 157 Y HA 0.620 5.161 4.550 -0.015 0.000 0.337 157 Y C 0.732 176.935 175.900 0.506 0.000 0.965 157 Y CA 0.193 58.483 58.100 0.317 0.000 1.091 157 Y CB 2.673 41.347 38.460 0.356 0.000 1.182 157 Y HN 0.894 nan 8.280 nan 0.000 0.450 158 G N 2.361 111.477 108.800 0.527 0.000 2.753 158 G HA2 0.589 4.540 3.960 -0.015 0.000 0.303 158 G HA3 0.589 4.540 3.960 -0.015 0.000 0.303 158 G C -1.773 173.359 174.900 0.387 0.000 1.242 158 G CA -0.821 44.617 45.100 0.564 0.000 0.810 158 G HN 0.419 nan 8.290 nan 0.000 0.515 159 I N 0.566 121.261 120.570 0.208 0.000 2.474 159 I HA 0.435 4.595 4.170 -0.015 0.000 0.294 159 I C 0.238 176.254 176.117 -0.170 0.000 1.005 159 I CA -0.733 60.568 61.300 0.002 0.000 1.113 159 I CB 2.266 40.079 38.000 -0.312 0.000 1.289 159 I HN 0.363 nan 8.210 nan 0.000 0.436 160 R N 6.096 126.596 120.500 0.001 0.000 2.608 160 R HA 0.223 4.554 4.340 -0.015 0.000 0.277 160 R C -1.215 175.126 176.300 0.068 0.000 1.341 160 R CA -0.434 55.699 56.100 0.055 0.000 1.199 160 R CB -0.083 30.227 30.300 0.016 0.000 1.156 160 R HN 0.397 nan 8.270 nan 0.000 0.558 161 Y N 1.415 121.868 120.300 0.254 0.000 2.511 161 Y HA -0.088 4.453 4.550 -0.015 0.000 0.332 161 Y C 1.588 177.656 175.900 0.280 0.000 1.177 161 Y CA 0.109 58.348 58.100 0.231 0.000 1.422 161 Y CB 0.742 39.317 38.460 0.192 0.000 1.271 161 Y HN 0.579 nan 8.280 nan 0.000 0.550 162 E N 2.155 122.514 120.200 0.265 0.000 2.150 162 E HA -0.072 4.269 4.350 -0.015 0.000 0.193 162 E C -0.733 175.702 176.600 -0.274 0.000 0.985 162 E CA 0.704 57.047 56.400 -0.095 0.000 0.814 162 E CB 0.172 29.711 29.700 -0.268 0.000 0.752 162 E HN 0.508 nan 8.360 nan 0.000 0.466 163 F N -0.347 119.816 119.950 0.355 0.000 2.477 163 F HA 0.445 4.963 4.527 -0.015 0.000 0.335 163 F C 0.768 176.658 175.800 0.151 0.000 1.130 163 F CA -0.879 57.288 58.000 0.277 0.000 0.948 163 F CB 1.888 40.980 39.000 0.154 0.000 1.154 163 F HN -0.114 nan 8.300 nan 0.000 0.439 164 G N 1.790 110.705 108.800 0.193 0.000 2.531 164 G HA2 0.362 4.313 3.960 -0.015 0.000 0.253 164 G HA3 0.362 4.313 3.960 -0.015 0.000 0.253 164 G C -0.585 174.263 174.900 -0.087 0.000 1.439 164 G CA -0.690 44.354 45.100 -0.093 0.000 1.056 164 G HN 0.536 nan 8.290 nan 0.000 0.555 165 I N 1.012 121.440 120.570 -0.237 0.000 2.752 165 I HA 0.202 4.363 4.170 -0.015 0.000 0.289 165 I C 0.538 176.548 176.117 -0.180 0.000 1.197 165 I CA -1.180 59.959 61.300 -0.268 0.000 1.432 165 I CB -0.369 37.367 38.000 -0.440 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.289 126.241 119.950 0.005 0.000 2.628 166 F HA 0.227 4.745 4.527 -0.015 0.000 0.362 166 F C 0.559 176.403 175.800 0.073 0.000 1.148 166 F CA -0.555 57.471 58.000 0.044 0.000 1.352 166 F CB -0.362 38.655 39.000 0.027 0.000 1.081 166 F HN 0.427 nan 8.300 nan 0.000 0.605 167 N N 2.379 121.242 118.700 0.273 0.000 2.497 167 N HA 0.036 4.767 4.740 -0.015 0.000 0.271 167 N C -0.761 174.974 175.510 0.376 0.000 1.142 167 N CA -0.240 52.949 53.050 0.232 0.000 0.965 167 N CB 1.139 39.749 38.487 0.206 0.000 1.077 167 N HN 0.755 nan 8.380 nan 0.000 0.462 168 Q N 2.483 122.477 119.800 0.323 0.000 2.303 168 Q HA 0.171 4.502 4.340 -0.015 0.000 0.257 168 Q C -0.998 175.170 176.000 0.279 0.000 0.941 168 Q CA -0.460 55.570 55.803 0.379 0.000 0.931 168 Q CB 0.690 29.659 28.738 0.384 0.000 1.215 168 Q HN 0.224 nan 8.270 nan 0.000 0.437 169 K N 4.252 124.793 120.400 0.235 0.000 2.207 169 K HA 0.467 4.777 4.320 -0.015 0.000 0.255 169 K C -0.602 176.099 176.600 0.168 0.000 0.941 169 K CA -0.866 55.536 56.287 0.193 0.000 0.825 169 K CB 1.593 34.184 32.500 0.152 0.000 1.119 169 K HN 0.631 nan 8.250 nan 0.000 0.430 170 I N 1.984 122.647 120.570 0.156 0.000 2.312 170 I HA 0.156 4.317 4.170 -0.015 0.000 0.290 170 I C -0.080 176.094 176.117 0.095 0.000 1.008 170 I CA -0.703 60.656 61.300 0.099 0.000 1.226 170 I CB 0.912 38.950 38.000 0.064 0.000 1.371 170 I HN 0.462 nan 8.210 nan 0.000 0.468 171 C N 5.234 124.600 119.300 0.110 0.000 2.322 171 C HA 0.626 5.077 4.460 -0.015 0.000 0.324 171 C C 1.186 176.275 174.990 0.167 0.000 1.249 171 C CA 0.242 59.331 59.018 0.119 0.000 1.453 171 C CB -0.125 27.681 27.740 0.110 0.000 2.145 171 C HN 1.099 nan 8.230 nan 0.000 0.466 172 G N 4.025 112.892 108.800 0.113 0.000 2.258 172 G HA2 0.069 4.020 3.960 -0.015 0.000 0.274 172 G HA3 0.069 4.020 3.960 -0.015 0.000 0.274 172 G C 1.198 176.086 174.900 -0.020 0.000 1.021 172 G CA 1.171 46.338 45.100 0.111 0.000 0.798 172 G HN 2.579 nan 8.290 nan 0.000 0.507 173 G N -2.959 105.779 108.800 -0.103 0.000 2.176 173 G HA2 -0.288 3.663 3.960 -0.015 0.000 0.253 173 G HA3 -0.288 3.663 3.960 -0.015 0.000 0.253 173 G C 0.341 174.974 174.900 -0.445 0.000 0.979 173 G CA 0.585 45.497 45.100 -0.313 0.000 0.641 173 G HN 1.173 nan 8.290 nan 0.000 0.530 174 W N 0.823 122.068 121.300 -0.091 0.000 2.512 174 W HA 0.654 5.305 4.660 -0.015 0.000 0.335 174 W C 0.645 177.110 176.519 -0.091 0.000 1.088 174 W CA -0.935 56.351 57.345 -0.099 0.000 1.236 174 W CB 0.891 30.310 29.460 -0.068 0.000 1.307 174 W HN 0.244 nan 8.180 nan 0.000 0.567 175 Q N 3.348 123.247 119.800 0.165 0.000 2.297 175 Q HA 0.196 4.527 4.340 -0.015 0.000 0.267 175 Q C -0.521 175.538 176.000 0.099 0.000 1.006 175 Q CA 0.184 56.053 55.803 0.110 0.000 0.896 175 Q CB 0.528 29.324 28.738 0.096 0.000 1.186 175 Q HN 0.318 nan 8.270 nan 0.000 0.392 176 M N 3.089 122.743 119.600 0.090 0.000 2.528 176 M HA 0.393 4.864 4.480 -0.015 0.000 0.321 176 M C -0.986 175.330 176.300 0.027 0.000 1.153 176 M CA -0.679 54.642 55.300 0.035 0.000 0.951 176 M CB 1.754 34.384 32.600 0.051 0.000 1.705 176 M HN 0.603 nan 8.290 nan 0.000 0.451 177 E N 1.597 121.746 120.200 -0.085 0.000 2.179 177 E HA 0.454 4.795 4.350 -0.015 0.000 0.275 177 E C -0.775 175.823 176.600 -0.003 0.000 0.945 177 E CA -0.563 55.760 56.400 -0.128 0.000 0.792 177 E CB 1.620 31.002 29.700 -0.531 0.000 1.125 177 E HN 0.517 nan 8.360 nan 0.000 0.397 178 E N 0.886 121.159 120.200 0.121 0.000 2.317 178 E HA 0.727 5.068 4.350 -0.015 0.000 0.270 178 E C -1.053 175.633 176.600 0.143 0.000 0.885 178 E CA -1.538 54.919 56.400 0.095 0.000 0.760 178 E CB 1.452 31.211 29.700 0.099 0.000 1.227 178 E HN 0.446 nan 8.360 nan 0.000 0.434 179 A N 2.054 124.914 122.820 0.066 0.000 2.546 179 A HA 0.042 4.353 4.320 -0.015 0.000 0.243 179 A C -0.093 177.647 177.584 0.260 0.000 1.063 179 A CA 0.278 52.360 52.037 0.075 0.000 0.757 179 A CB -0.093 18.800 19.000 -0.179 0.000 0.991 179 A HN 0.701 nan 8.150 nan 0.000 0.503 180 D N 1.806 122.426 120.400 0.366 0.000 2.483 180 D HA 0.191 4.822 4.640 -0.015 0.000 0.220 180 D C -0.383 176.242 176.300 0.542 0.000 1.173 180 D CA -0.175 54.050 54.000 0.375 0.000 0.964 180 D CB 0.388 41.340 40.800 0.253 0.000 1.046 180 D HN 0.379 nan 8.370 nan 0.000 0.517 181 D N 3.989 124.666 120.400 0.462 0.000 2.845 181 D HA -0.017 4.614 4.640 -0.015 0.000 0.235 181 D C 1.116 177.539 176.300 0.205 0.000 1.158 181 D CA -0.554 53.647 54.000 0.334 0.000 0.990 181 D CB -0.213 40.773 40.800 0.311 0.000 1.094 181 D HN 0.567 nan 8.370 nan 0.000 0.486 182 W N 1.401 122.729 121.300 0.047 0.000 2.525 182 W HA -0.039 4.612 4.660 -0.015 0.000 0.259 182 W C 0.086 176.648 176.519 0.073 0.000 1.253 182 W CA 0.126 57.518 57.345 0.078 0.000 1.262 182 W CB -0.719 28.789 29.460 0.080 0.000 1.122 182 W HN 0.169 nan 8.180 nan 0.000 0.607 183 L N 0.972 121.827 121.223 -0.613 0.000 2.607 183 L HA 0.183 4.514 4.340 -0.015 0.000 0.228 183 L C 2.773 179.473 176.870 -0.284 0.000 1.123 183 L CA -0.006 54.449 54.840 -0.642 0.000 0.890 183 L CB -0.639 40.915 42.059 -0.841 0.000 1.103 183 L HN -0.115 nan 8.230 nan 0.000 0.468 184 R N 0.625 121.010 120.500 -0.192 0.000 2.113 184 R HA -0.241 4.090 4.340 -0.015 0.000 0.244 184 R C 1.418 177.548 176.300 -0.283 0.000 1.142 184 R CA 2.143 58.094 56.100 -0.248 0.000 0.953 184 R CB -0.217 29.898 30.300 -0.308 0.000 0.860 184 R HN 0.312 nan 8.270 nan 0.000 0.438 185 Y N -0.520 119.797 120.300 0.028 0.000 2.457 185 Y HA 0.321 4.862 4.550 -0.015 0.000 0.263 185 Y C 0.886 176.802 175.900 0.027 0.000 1.164 185 Y CA 0.541 58.672 58.100 0.053 0.000 1.274 185 Y CB 0.837 39.425 38.460 0.215 0.000 1.097 185 Y HN 0.444 nan 8.280 nan 0.000 0.523 186 G N 1.254 110.121 108.800 0.111 0.000 2.662 186 G HA2 -0.214 3.737 3.960 -0.015 0.000 0.686 186 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.686 186 G C -1.256 173.746 174.900 0.171 0.000 1.271 186 G CA -0.824 44.314 45.100 0.064 0.000 0.816 186 G HN 0.250 nan 8.290 nan 0.000 0.608 187 N N 1.197 119.932 118.700 0.059 0.000 2.524 187 N HA 0.600 5.331 4.740 -0.015 0.000 0.261 187 N C -0.712 174.817 175.510 0.032 0.000 0.998 187 N CA -2.028 51.064 53.050 0.070 0.000 0.915 187 N CB 2.042 40.490 38.487 -0.066 0.000 1.187 187 N HN 0.240 nan 8.380 nan 0.000 0.507 188 P HA 0.041 nan 4.420 nan 0.000 0.233 188 P C 0.392 177.364 177.300 -0.547 0.000 1.167 188 P CA 0.675 63.485 63.100 -0.482 0.000 0.770 188 P CB 0.047 31.189 31.700 -0.930 0.000 0.837 189 W N 1.630 122.929 121.300 -0.001 0.000 3.197 189 W HA 0.117 4.768 4.660 -0.015 0.000 0.274 189 W C 1.012 177.559 176.519 0.048 0.000 1.297 189 W CA -0.497 56.843 57.345 -0.008 0.000 1.662 189 W CB 0.139 29.601 29.460 0.003 0.000 1.106 189 W HN 0.029 nan 8.180 nan 0.000 0.663 190 E N 1.150 121.505 120.200 0.258 0.000 2.212 190 E HA 0.469 4.810 4.350 -0.015 0.000 0.270 190 E C -0.780 175.977 176.600 0.263 0.000 0.956 190 E CA -1.069 55.501 56.400 0.282 0.000 0.825 190 E CB 1.665 31.545 29.700 0.299 0.000 1.167 190 E HN -0.316 nan 8.360 nan 0.000 0.400 191 K N 1.584 122.154 120.400 0.284 0.000 2.483 191 K HA 0.427 4.738 4.320 -0.015 0.000 0.256 191 K C -1.108 175.516 176.600 0.040 0.000 0.961 191 K CA -0.467 55.921 56.287 0.168 0.000 0.873 191 K CB 1.435 34.027 32.500 0.154 0.000 1.107 191 K HN 0.676 nan 8.250 nan 0.000 0.432 192 A N 4.256 127.028 122.820 -0.080 0.000 2.540 192 A HA 0.263 4.574 4.320 -0.015 0.000 0.239 192 A C -0.223 177.196 177.584 -0.275 0.000 1.061 192 A CA 0.012 51.752 52.037 -0.495 0.000 0.758 192 A CB 0.171 18.887 19.000 -0.473 0.000 0.991 192 A HN 0.671 nan 8.150 nan 0.000 0.502 193 R N 3.364 123.693 120.500 -0.285 0.000 2.983 193 R HA 0.208 4.539 4.340 -0.015 0.000 0.300 193 R C -2.326 173.976 176.300 0.003 0.000 1.367 193 R CA -1.805 54.267 56.100 -0.047 0.000 1.564 193 R CB 0.595 30.930 30.300 0.059 0.000 1.314 193 R HN 0.576 nan 8.270 nan 0.000 0.622 194 P HA -0.162 nan 4.420 nan 0.000 0.225 194 P C 0.854 178.149 177.300 -0.008 0.000 1.148 194 P CA 1.032 64.115 63.100 -0.028 0.000 0.779 194 P CB 0.407 32.080 31.700 -0.046 0.000 0.780 195 E N -0.393 119.773 120.200 -0.056 0.000 2.358 195 E HA -0.099 4.242 4.350 -0.015 0.000 0.195 195 E C 0.738 177.168 176.600 -0.282 0.000 1.010 195 E CA 0.627 56.912 56.400 -0.192 0.000 0.856 195 E CB -0.824 28.689 29.700 -0.311 0.000 0.795 195 E HN 0.266 nan 8.360 nan 0.000 0.504 196 F N 2.037 122.000 119.950 0.021 0.000 2.668 196 F HA 0.225 4.743 4.527 -0.015 0.000 0.297 196 F C 0.437 176.332 175.800 0.159 0.000 1.124 196 F CA -0.192 57.852 58.000 0.074 0.000 1.353 196 F CB 0.385 39.420 39.000 0.058 0.000 0.992 196 F HN -0.280 nan 8.300 nan 0.000 0.524 197 T N 2.747 117.442 114.554 0.234 0.000 2.902 197 T HA 0.261 4.602 4.350 -0.015 0.000 0.301 197 T C -0.239 174.559 174.700 0.165 0.000 1.012 197 T CA 0.307 62.543 62.100 0.228 0.000 1.151 197 T CB 0.599 69.552 68.868 0.143 0.000 0.946 197 T HN -0.174 nan 8.240 nan 0.000 0.542 198 L N 5.992 127.289 121.223 0.123 0.000 2.370 198 L HA 0.557 4.888 4.340 -0.015 0.000 0.266 198 L C -2.210 174.620 176.870 -0.066 0.000 1.002 198 L CA -2.597 52.243 54.840 -0.001 0.000 0.818 198 L CB 1.862 43.854 42.059 -0.111 0.000 1.325 198 L HN 0.379 nan 8.230 nan 0.000 0.418 199 P HA 0.344 nan 4.420 nan 0.000 0.284 199 P C -1.131 176.056 177.300 -0.188 0.000 1.253 199 P CA -0.352 62.676 63.100 -0.120 0.000 0.800 199 P CB 1.592 33.219 31.700 -0.121 0.000 0.961 200 V N 4.079 123.866 119.914 -0.210 0.000 2.604 200 V HA 0.328 4.439 4.120 -0.015 0.000 0.305 200 V C 0.218 176.109 176.094 -0.337 0.000 1.043 200 V CA -0.611 61.544 62.300 -0.241 0.000 0.888 200 V CB 1.370 33.075 31.823 -0.196 0.000 0.995 200 V HN 0.596 nan 8.190 nan 0.000 0.429 201 H N 3.840 122.748 119.070 -0.269 0.000 2.472 201 H HA 0.605 5.152 4.556 -0.015 0.000 0.338 201 H C -1.289 173.777 175.328 -0.437 0.000 1.133 201 H CA -0.123 55.706 56.048 -0.366 0.000 1.216 201 H CB 1.870 31.203 29.762 -0.716 0.000 1.497 201 H HN 0.480 nan 8.280 nan 0.000 0.500 202 F N 0.527 120.556 119.950 0.132 0.000 2.603 202 F HA 0.206 4.724 4.527 -0.015 0.000 0.317 202 F C -0.212 175.724 175.800 0.227 0.000 1.066 202 F CA -0.534 57.547 58.000 0.136 0.000 0.941 202 F CB 1.104 40.085 39.000 -0.031 0.000 1.291 202 F HN 0.565 nan 8.300 nan 0.000 0.472 203 Y N 0.219 120.831 120.300 0.520 0.000 2.896 203 Y HA -0.032 4.509 4.550 -0.015 0.000 0.466 203 Y C 1.391 177.554 175.900 0.439 0.000 1.197 203 Y CA 0.682 59.002 58.100 0.367 0.000 2.513 203 Y CB -1.931 36.671 38.460 0.237 0.000 1.232 203 Y HN 1.269 nan 8.280 nan 0.000 0.632 204 G N 0.703 109.787 108.800 0.473 0.000 2.598 204 G HA2 0.077 4.028 3.960 -0.015 0.000 0.244 204 G HA3 0.077 4.028 3.960 -0.015 0.000 0.244 204 G C -0.555 174.562 174.900 0.361 0.000 1.302 204 G CA 0.982 46.280 45.100 0.330 0.000 0.903 204 G HN 1.360 nan 8.290 nan 0.000 0.575 205 R N -2.572 118.137 120.500 0.348 0.000 2.734 205 R HA 0.702 5.032 4.340 -0.015 0.000 0.271 205 R C -1.347 175.094 176.300 0.234 0.000 1.021 205 R CA -1.036 55.211 56.100 0.244 0.000 0.893 205 R CB 1.373 31.760 30.300 0.146 0.000 1.244 205 R HN 0.840 nan 8.270 nan 0.000 0.464 206 V N 0.861 120.823 119.914 0.081 0.000 2.394 206 V HA 0.341 4.452 4.120 -0.015 0.000 0.282 206 V C -0.242 175.771 176.094 -0.135 0.000 1.031 206 V CA -0.438 61.829 62.300 -0.055 0.000 0.881 206 V CB 1.291 33.006 31.823 -0.181 0.000 0.982 206 V HN 0.739 nan 8.190 nan 0.000 0.451 207 E N 3.182 123.284 120.200 -0.162 0.000 2.165 207 E HA 0.365 4.705 4.350 -0.015 0.000 0.266 207 E C -0.944 175.529 176.600 -0.213 0.000 0.889 207 E CA -0.682 55.645 56.400 -0.121 0.000 0.756 207 E CB 0.750 30.437 29.700 -0.022 0.000 1.131 207 E HN 0.728 nan 8.360 nan 0.000 0.411 208 H N 3.168 122.253 119.070 0.025 0.000 2.705 208 H HA 0.135 4.682 4.556 -0.015 0.000 0.291 208 H C 0.423 175.760 175.328 0.015 0.000 1.085 208 H CA -0.158 55.900 56.048 0.016 0.000 1.357 208 H CB 0.789 30.556 29.762 0.008 0.000 1.419 208 H HN 0.540 nan 8.280 nan 0.000 0.462 209 T N -0.442 114.168 114.554 0.094 0.000 2.880 209 T HA 0.148 4.489 4.350 -0.015 0.000 0.279 209 T C 1.558 176.294 174.700 0.060 0.000 0.990 209 T CA -0.662 61.475 62.100 0.062 0.000 0.938 209 T CB 0.976 69.866 68.868 0.035 0.000 1.206 209 T HN 0.376 nan 8.240 nan 0.000 0.573 210 S N -0.033 115.691 115.700 0.041 0.000 2.370 210 S HA -0.088 4.373 4.470 -0.015 0.000 0.226 210 S C 0.965 175.585 174.600 0.032 0.000 1.033 210 S CA 1.199 59.418 58.200 0.032 0.000 1.011 210 S CB -0.409 62.805 63.200 0.024 0.000 0.852 210 S HN 0.734 nan 8.310 nan 0.000 0.457 211 Q N 0.115 119.935 119.800 0.032 0.000 2.607 211 Q HA 0.541 4.871 4.340 -0.015 0.000 0.247 211 Q C 0.006 176.027 176.000 0.035 0.000 1.033 211 Q CA 0.308 56.130 55.803 0.031 0.000 0.769 211 Q CB 0.743 29.496 28.738 0.025 0.000 1.169 211 Q HN 0.444 nan 8.270 nan 0.000 0.508 212 G N 1.229 110.057 108.800 0.048 0.000 2.746 212 G HA2 0.095 4.046 3.960 -0.015 0.000 0.685 212 G HA3 0.095 4.046 3.960 -0.015 0.000 0.685 212 G C -0.669 174.262 174.900 0.052 0.000 1.350 212 G CA -0.622 44.510 45.100 0.052 0.000 0.837 212 G HN 0.794 nan 8.290 nan 0.000 0.564 213 A N 0.586 123.429 122.820 0.039 0.000 2.322 213 A HA 0.784 5.095 4.320 -0.015 0.000 0.269 213 A C 0.447 178.002 177.584 -0.047 0.000 1.094 213 A CA 0.095 52.105 52.037 -0.046 0.000 0.807 213 A CB 0.744 19.691 19.000 -0.089 0.000 1.047 213 A HN 0.795 nan 8.150 nan 0.000 0.487 214 K N 0.628 120.986 120.400 -0.070 0.000 2.443 214 K HA 0.198 4.508 4.320 -0.015 0.000 0.252 214 K C -1.884 174.754 176.600 0.063 0.000 0.933 214 K CA -0.330 55.955 56.287 -0.003 0.000 0.792 214 K CB 2.211 34.709 32.500 -0.004 0.000 1.185 214 K HN 0.730 nan 8.250 nan 0.000 0.425 215 W N 5.218 126.441 121.300 -0.129 0.000 2.308 215 W HA 0.357 5.008 4.660 -0.015 0.000 0.311 215 W C -0.634 175.830 176.519 -0.092 0.000 1.088 215 W CA -0.788 56.487 57.345 -0.117 0.000 1.309 215 W CB 0.225 29.603 29.460 -0.137 0.000 1.229 215 W HN 0.323 nan 8.180 nan 0.000 0.427 216 V N 2.925 122.889 119.914 0.084 0.000 3.126 216 V HA 0.613 4.724 4.120 -0.015 0.000 0.314 216 V C -0.242 175.831 176.094 -0.034 0.000 1.138 216 V CA -0.969 61.308 62.300 -0.039 0.000 1.034 216 V CB 2.047 33.876 31.823 0.010 0.000 1.075 216 V HN 0.477 nan 8.190 nan 0.000 0.442 217 D N 0.247 120.626 120.400 -0.034 0.000 2.800 217 D HA -0.137 4.494 4.640 -0.015 0.000 0.232 217 D C 0.542 176.849 176.300 0.013 0.000 1.137 217 D CA 1.537 55.540 54.000 0.005 0.000 0.718 217 D CB -1.638 39.185 40.800 0.040 0.000 1.084 217 D HN 1.325 nan 8.370 nan 0.000 0.432 218 T N -2.766 111.753 114.554 -0.058 0.000 2.849 218 T HA 0.496 4.837 4.350 -0.015 0.000 0.284 218 T C 0.465 175.216 174.700 0.086 0.000 1.004 218 T CA -0.724 61.357 62.100 -0.031 0.000 1.021 218 T CB 1.934 70.633 68.868 -0.283 0.000 1.013 218 T HN 0.043 nan 8.240 nan 0.000 0.527 219 Q N 0.524 120.443 119.800 0.197 0.000 2.241 219 Q HA 0.587 4.918 4.340 -0.015 0.000 0.254 219 Q C -0.975 175.143 176.000 0.197 0.000 0.917 219 Q CA -0.920 55.018 55.803 0.224 0.000 0.919 219 Q CB 1.942 30.886 28.738 0.344 0.000 1.237 219 Q HN 0.516 nan 8.270 nan 0.000 0.434 220 V N 2.889 122.880 119.914 0.128 0.000 2.435 220 V HA 0.424 4.535 4.120 -0.015 0.000 0.290 220 V C -0.345 175.842 176.094 0.155 0.000 1.030 220 V CA -0.673 61.620 62.300 -0.011 0.000 0.881 220 V CB 1.705 33.451 31.823 -0.127 0.000 0.983 220 V HN 0.493 nan 8.190 nan 0.000 0.445 221 V N 5.803 125.821 119.914 0.174 0.000 2.604 221 V HA 0.491 4.602 4.120 -0.015 0.000 0.305 221 V C -0.137 176.059 176.094 0.169 0.000 1.043 221 V CA -0.664 61.757 62.300 0.201 0.000 0.888 221 V CB 1.937 33.950 31.823 0.317 0.000 0.995 221 V HN 0.638 nan 8.190 nan 0.000 0.429 222 L N 3.457 124.770 121.223 0.150 0.000 2.350 222 L HA 0.725 5.055 4.340 -0.015 0.000 0.275 222 L C 0.455 177.503 176.870 0.297 0.000 1.099 222 L CA -0.318 54.613 54.840 0.152 0.000 0.808 222 L CB 1.266 43.393 42.059 0.114 0.000 1.149 222 L HN 0.759 nan 8.230 nan 0.000 0.442 223 A N 5.036 127.976 122.820 0.201 0.000 2.267 223 A HA 0.573 4.884 4.320 -0.015 0.000 0.315 223 A C -0.476 177.377 177.584 0.449 0.000 1.297 223 A CA -0.471 51.718 52.037 0.253 0.000 0.865 223 A CB 0.900 19.600 19.000 -0.500 0.000 1.165 223 A HN 0.786 nan 8.150 nan 0.000 0.513 224 M N 5.857 125.780 119.600 0.538 0.000 2.129 224 M HA 0.455 4.926 4.480 -0.015 0.000 0.348 224 M C -2.598 173.972 176.300 0.449 0.000 1.116 224 M CA -2.132 53.427 55.300 0.432 0.000 1.022 224 M CB 1.941 34.714 32.600 0.288 0.000 1.599 224 M HN 0.337 nan 8.290 nan 0.000 0.449 225 P HA 0.265 nan 4.420 nan 0.000 0.288 225 P C -1.937 175.276 177.300 -0.145 0.000 1.267 225 P CA -0.020 62.962 63.100 -0.198 0.000 0.815 225 P CB 0.509 31.871 31.700 -0.563 0.000 0.989 226 Y N 0.584 120.799 120.300 -0.142 0.000 2.350 226 Y HA 0.335 4.876 4.550 -0.015 0.000 0.338 226 Y C 0.264 176.120 175.900 -0.074 0.000 0.961 226 Y CA -0.316 57.756 58.100 -0.047 0.000 1.100 226 Y CB 1.291 39.765 38.460 0.023 0.000 1.179 226 Y HN 0.219 nan 8.280 nan 0.000 0.454 227 D N 1.889 122.359 120.400 0.116 0.000 2.177 227 D HA 0.407 5.037 4.640 -0.015 0.000 0.247 227 D C -0.595 175.906 176.300 0.335 0.000 1.063 227 D CA -0.210 53.893 54.000 0.172 0.000 0.867 227 D CB 1.743 42.642 40.800 0.166 0.000 1.168 227 D HN 0.381 nan 8.370 nan 0.000 0.445 228 T N 3.118 117.793 114.554 0.202 0.000 2.824 228 T HA 0.464 4.805 4.350 -0.015 0.000 0.282 228 T C -2.527 172.041 174.700 -0.221 0.000 0.993 228 T CA -1.467 60.666 62.100 0.054 0.000 0.967 228 T CB 2.076 70.959 68.868 0.025 0.000 0.960 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.323 nan 4.420 nan 0.000 0.275 229 P C -0.999 175.974 177.300 -0.544 0.000 1.227 229 P CA -0.398 62.040 63.100 -1.103 0.000 0.781 229 P CB 0.836 31.635 31.700 -1.503 0.000 0.906 230 V N 5.199 124.851 119.914 -0.437 0.000 2.305 230 V HA 0.263 4.374 4.120 -0.015 0.000 0.275 230 V C -2.105 173.846 176.094 -0.238 0.000 1.020 230 V CA -1.902 60.231 62.300 -0.278 0.000 0.811 230 V CB 1.414 33.121 31.823 -0.194 0.000 1.031 230 V HN 0.544 nan 8.190 nan 0.000 0.439 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.369 177.610 177.300 -0.098 0.000 1.244 231 P CA 0.259 63.260 63.100 -0.165 0.000 0.784 231 P CB 1.516 33.116 31.700 -0.167 0.000 0.913 232 G N 2.251 111.011 108.800 -0.066 0.000 2.606 232 G HA2 0.112 4.062 3.960 -0.015 0.000 0.252 232 G HA3 0.112 4.062 3.960 -0.015 0.000 0.252 232 G C -1.119 173.787 174.900 0.010 0.000 1.206 232 G CA -0.546 44.546 45.100 -0.014 0.000 0.861 232 G HN 0.518 nan 8.290 nan 0.000 0.561 233 Y N 1.064 121.321 120.300 -0.071 0.000 2.624 233 Y HA 0.232 4.773 4.550 -0.016 0.000 0.354 233 Y C 1.345 177.204 175.900 -0.068 0.000 1.051 233 Y CA -0.165 57.889 58.100 -0.077 0.000 1.377 233 Y CB -0.115 38.298 38.460 -0.078 0.000 1.168 233 Y HN 0.737 nan 8.280 nan 0.000 0.525 234 R N 3.100 123.318 120.500 -0.469 0.000 3.516 234 R HA -0.323 4.008 4.340 -0.015 0.000 0.271 234 R C 0.092 176.255 176.300 -0.228 0.000 1.098 234 R CA 1.343 57.184 56.100 -0.433 0.000 0.732 234 R CB -2.091 27.789 30.300 -0.699 0.000 1.152 234 R HN 0.952 nan 8.270 nan 0.000 0.455 235 N N -0.871 117.745 118.700 -0.139 0.000 2.171 235 N HA 0.046 4.776 4.740 -0.015 0.000 0.212 235 N C -0.076 175.387 175.510 -0.079 0.000 1.184 235 N CA -0.484 52.516 53.050 -0.084 0.000 0.888 235 N CB 0.501 38.964 38.487 -0.040 0.000 1.038 235 N HN 0.084 nan 8.380 nan 0.000 0.517 236 N N -0.166 118.482 118.700 -0.087 0.000 2.753 236 N HA -0.134 4.597 4.740 -0.015 0.000 0.251 236 N C -0.940 174.529 175.510 -0.069 0.000 1.097 236 N CA 0.604 53.611 53.050 -0.073 0.000 0.786 236 N CB -1.332 37.113 38.487 -0.069 0.000 1.137 236 N HN 0.193 nan 8.380 nan 0.000 0.566 237 V N 1.149 121.025 119.914 -0.064 0.000 2.498 237 V HA 0.399 4.510 4.120 -0.015 0.000 0.279 237 V C 0.651 176.709 176.094 -0.060 0.000 1.048 237 V CA -0.444 61.825 62.300 -0.052 0.000 0.967 237 V CB 2.049 33.867 31.823 -0.009 0.000 0.988 237 V HN -0.030 nan 8.190 nan 0.000 0.473 238 V N 5.365 125.246 119.914 -0.054 0.000 2.419 238 V HA 0.432 4.543 4.120 -0.015 0.000 0.287 238 V C -0.075 175.995 176.094 -0.040 0.000 1.017 238 V CA -0.836 61.395 62.300 -0.115 0.000 0.844 238 V CB 1.434 33.149 31.823 -0.181 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.970 120.620 118.700 -0.083 0.000 2.448 239 N HA 0.565 5.296 4.740 -0.015 0.000 0.274 239 N C -0.047 175.439 175.510 -0.041 0.000 1.239 239 N CA -0.280 52.745 53.050 -0.041 0.000 0.982 239 N CB 1.255 39.676 38.487 -0.110 0.000 1.199 239 N HN 0.583 nan 8.380 nan 0.000 0.576 240 T N 0.787 115.329 114.554 -0.019 0.000 2.824 240 T HA 0.390 4.731 4.350 -0.015 0.000 0.282 240 T C -0.219 174.447 174.700 -0.056 0.000 0.993 240 T CA -0.504 61.660 62.100 0.107 0.000 0.967 240 T CB 1.024 70.078 68.868 0.309 0.000 0.960 240 T HN 0.286 nan 8.240 nan 0.000 0.441 241 M N 3.795 123.325 119.600 -0.116 0.000 2.101 241 M HA 0.485 4.956 4.480 -0.015 0.000 0.340 241 M C -0.451 175.689 176.300 -0.266 0.000 1.057 241 M CA -0.747 54.395 55.300 -0.264 0.000 0.984 241 M CB 0.680 33.067 32.600 -0.355 0.000 1.560 241 M HN 0.484 nan 8.290 nan 0.000 0.435 242 R N 5.977 126.202 120.500 -0.459 0.000 2.265 242 R HA 0.614 4.945 4.340 -0.015 0.000 0.328 242 R C -1.915 174.067 176.300 -0.531 0.000 0.969 242 R CA -0.411 55.356 56.100 -0.554 0.000 0.832 242 R CB 0.815 30.589 30.300 -0.877 0.000 1.139 242 R HN 0.804 nan 8.270 nan 0.000 0.457 243 L N 5.078 126.105 121.223 -0.328 0.000 2.341 243 L HA 0.499 4.830 4.340 -0.015 0.000 0.278 243 L C -0.830 175.992 176.870 -0.081 0.000 1.005 243 L CA -0.919 53.833 54.840 -0.147 0.000 0.818 243 L CB 1.511 43.572 42.059 0.005 0.000 1.259 243 L HN 0.585 nan 8.230 nan 0.000 0.418 244 W N 1.877 123.289 121.300 0.188 0.000 2.365 244 W HA 0.478 5.129 4.660 -0.015 0.000 0.316 244 W C 0.555 177.296 176.519 0.371 0.000 1.164 244 W CA -0.191 57.293 57.345 0.233 0.000 1.204 244 W CB 1.518 30.984 29.460 0.011 0.000 1.213 244 W HN 0.348 nan 8.180 nan 0.000 0.539 245 S N 1.960 118.064 115.700 0.672 0.000 2.482 245 S HA 0.776 5.237 4.470 -0.015 0.000 0.303 245 S C -0.409 174.524 174.600 0.554 0.000 1.091 245 S CA -0.712 57.786 58.200 0.497 0.000 1.057 245 S CB 0.645 64.077 63.200 0.386 0.000 1.031 245 S HN 0.527 nan 8.310 nan 0.000 0.485 246 A N 4.671 127.652 122.820 0.269 0.000 2.363 246 A HA 0.650 4.961 4.320 -0.015 0.000 0.270 246 A C -0.109 177.533 177.584 0.096 0.000 1.121 246 A CA -0.269 51.820 52.037 0.086 0.000 0.800 246 A CB 0.371 19.146 19.000 -0.374 0.000 1.052 246 A HN 0.660 nan 8.150 nan 0.000 0.493 247 K N 1.191 121.660 120.400 0.115 0.000 2.482 247 K HA 0.566 4.877 4.320 -0.015 0.000 0.251 247 K C -0.582 176.010 176.600 -0.013 0.000 0.936 247 K CA -0.401 55.919 56.287 0.056 0.000 0.791 247 K CB 2.153 34.720 32.500 0.112 0.000 1.213 247 K HN 0.864 nan 8.250 nan 0.000 0.428 248 A N 4.729 127.479 122.820 -0.117 0.000 2.440 248 A HA 0.392 4.703 4.320 -0.015 0.000 0.251 248 A C -2.101 175.467 177.584 -0.028 0.000 1.089 248 A CA -0.941 50.966 52.037 -0.216 0.000 0.779 248 A CB -0.326 18.382 19.000 -0.487 0.000 1.022 248 A HN 0.336 nan 8.150 nan 0.000 0.492 249 P HA 0.092 nan 4.420 nan 0.000 0.272 249 P C 0.027 177.407 177.300 0.134 0.000 1.223 249 P CA -0.275 62.889 63.100 0.107 0.000 0.784 249 P CB 0.573 32.352 31.700 0.133 0.000 0.923 250 N N 1.080 119.839 118.700 0.099 0.000 2.364 250 N HA -0.143 4.588 4.740 -0.015 0.000 0.183 250 N C 0.837 176.418 175.510 0.117 0.000 1.022 250 N CA 1.120 54.228 53.050 0.097 0.000 0.883 250 N CB -0.454 38.076 38.487 0.071 0.000 0.965 250 N HN 0.537 nan 8.380 nan 0.000 0.438 251 D N -1.093 119.379 120.400 0.120 0.000 2.325 251 D HA -0.077 4.554 4.640 -0.015 0.000 0.225 251 D C -0.061 176.307 176.300 0.114 0.000 1.096 251 D CA -0.517 53.544 54.000 0.100 0.000 0.844 251 D CB -0.988 39.852 40.800 0.066 0.000 0.925 251 D HN 0.094 nan 8.370 nan 0.000 0.513 252 F N 2.051 122.013 119.950 0.020 0.000 2.571 252 F HA 0.069 4.587 4.527 -0.015 0.000 0.384 252 F C 0.744 176.547 175.800 0.005 0.000 1.058 252 F CA 0.288 58.297 58.000 0.014 0.000 1.200 252 F CB 0.108 39.117 39.000 0.014 0.000 1.077 252 F HN -0.165 nan 8.300 nan 0.000 0.558 253 N N 2.522 120.894 118.700 -0.546 0.000 2.765 253 N HA -0.277 4.454 4.740 -0.015 0.000 0.248 253 N C -0.769 174.669 175.510 -0.120 0.000 1.063 253 N CA 1.437 54.276 53.050 -0.351 0.000 0.862 253 N CB -1.257 37.068 38.487 -0.270 0.000 1.145 253 N HN 0.533 nan 8.380 nan 0.000 0.581 259 V N 1.746 121.705 119.914 0.076 0.000 2.407 259 V HA 0.039 4.150 4.120 -0.015 0.000 0.245 259 V C 2.389 178.566 176.094 0.138 0.000 1.041 259 V CA 2.175 64.548 62.300 0.122 0.000 1.040 259 V CB -0.732 31.137 31.823 0.078 0.000 0.671 259 V HN 0.827 nan 8.190 nan 0.000 0.455 260 G N 0.606 109.454 108.800 0.081 0.000 2.440 260 G HA2 -0.172 3.779 3.960 -0.015 0.000 0.218 260 G HA3 -0.172 3.779 3.960 -0.015 0.000 0.218 260 G C 1.634 176.566 174.900 0.053 0.000 1.154 260 G CA 1.074 46.209 45.100 0.057 0.000 0.767 260 G HN 0.575 nan 8.290 nan 0.000 0.552 261 G N -0.035 108.803 108.800 0.063 0.000 2.446 261 G HA2 -0.284 3.667 3.960 -0.015 0.000 0.217 261 G HA3 -0.284 3.667 3.960 -0.015 0.000 0.217 261 G C 1.648 176.595 174.900 0.078 0.000 1.168 261 G CA 1.229 46.363 45.100 0.057 0.000 0.771 261 G HN 0.461 nan 8.290 nan 0.000 0.551 262 Y N 1.288 121.594 120.300 0.010 0.000 2.128 262 Y HA -0.144 4.397 4.550 -0.015 0.000 0.284 262 Y C 2.600 178.514 175.900 0.023 0.000 1.154 262 Y CA 1.327 59.436 58.100 0.016 0.000 1.149 262 Y CB -0.164 38.304 38.460 0.014 0.000 0.976 262 Y HN 0.109 nan 8.280 nan 0.000 0.505 263 I N 0.467 120.980 120.570 -0.096 0.000 2.142 263 I HA -0.297 3.864 4.170 -0.015 0.000 0.240 263 I C 2.390 178.414 176.117 -0.155 0.000 1.078 263 I CA 1.787 62.979 61.300 -0.180 0.000 1.343 263 I CB -1.429 36.571 38.000 -0.001 0.000 1.046 263 I HN 0.330 nan 8.210 nan 0.000 0.405 264 Q N 1.160 120.918 119.800 -0.069 0.000 2.096 264 Q HA -0.141 4.190 4.340 -0.015 0.000 0.204 264 Q C 2.243 178.216 176.000 -0.045 0.000 0.982 264 Q CA 2.357 58.136 55.803 -0.040 0.000 0.850 264 Q CB -0.405 28.326 28.738 -0.012 0.000 0.901 264 Q HN 0.481 nan 8.270 nan 0.000 0.422 265 A N -0.823 121.955 122.820 -0.070 0.000 1.940 265 A HA -0.149 4.162 4.320 -0.015 0.000 0.219 265 A C 2.263 179.832 177.584 -0.026 0.000 1.176 265 A CA 1.727 53.738 52.037 -0.043 0.000 0.631 265 A CB -0.776 18.195 19.000 -0.049 0.000 0.814 265 A HN 0.273 nan 8.150 nan 0.000 0.446 266 V N 0.098 119.914 119.914 -0.163 0.000 2.358 266 V HA -0.217 3.894 4.120 -0.015 0.000 0.246 266 V C 2.525 178.589 176.094 -0.051 0.000 1.047 266 V CA 1.772 63.989 62.300 -0.138 0.000 1.035 266 V CB -0.728 30.913 31.823 -0.303 0.000 0.658 266 V HN 0.570 nan 8.190 nan 0.000 0.452 267 L N -0.160 121.030 121.223 -0.055 0.000 2.131 267 L HA -0.181 4.150 4.340 -0.015 0.000 0.210 267 L C 2.115 178.998 176.870 0.022 0.000 1.092 267 L CA 1.384 56.213 54.840 -0.018 0.000 0.759 267 L CB -0.723 41.325 42.059 -0.019 0.000 0.903 267 L HN 0.332 nan 8.230 nan 0.000 0.435 268 D N -0.018 120.423 120.400 0.068 0.000 2.378 268 D HA -0.094 4.537 4.640 -0.015 0.000 0.222 268 D C 2.170 178.599 176.300 0.214 0.000 0.980 268 D CA 0.519 54.611 54.000 0.153 0.000 0.907 268 D CB -0.029 40.883 40.800 0.187 0.000 0.899 268 D HN 0.231 nan 8.370 nan 0.000 0.527 269 R N 0.293 120.849 120.500 0.092 0.000 2.159 269 R HA -0.083 4.247 4.340 -0.015 0.000 0.237 269 R C 1.762 177.910 176.300 -0.254 0.000 1.131 269 R CA 0.960 56.922 56.100 -0.231 0.000 0.982 269 R CB -0.304 29.913 30.300 -0.139 0.000 0.868 269 R HN 0.356 nan 8.270 nan 0.000 0.453 270 N N 0.294 118.938 118.700 -0.093 0.000 2.137 270 N HA -0.208 4.523 4.740 -0.015 0.000 0.190 270 N C 1.254 176.722 175.510 -0.070 0.000 1.017 270 N CA 0.885 53.897 53.050 -0.062 0.000 0.859 270 N CB -0.122 38.357 38.487 -0.014 0.000 1.002 270 N HN 0.022 nan 8.380 nan 0.000 0.428 271 L N 1.064 122.260 121.223 -0.046 0.000 2.012 271 L HA -0.143 4.188 4.340 -0.015 0.000 0.210 271 L C 2.474 179.297 176.870 -0.079 0.000 1.073 271 L CA 1.492 56.326 54.840 -0.010 0.000 0.748 271 L CB -1.156 40.962 42.059 0.099 0.000 0.891 271 L HN 0.162 nan 8.230 nan 0.000 0.431 272 A N -0.924 121.761 122.820 -0.225 0.000 1.930 272 A HA -0.181 4.130 4.320 -0.015 0.000 0.217 272 A C 2.181 179.639 177.584 -0.210 0.000 1.175 272 A CA 1.480 53.361 52.037 -0.262 0.000 0.627 272 A CB -0.458 18.217 19.000 -0.541 0.000 0.815 272 A HN 0.516 nan 8.150 nan 0.000 0.443 273 E N -0.035 120.051 120.200 -0.190 0.000 2.427 273 E HA -0.078 4.263 4.350 -0.015 0.000 0.196 273 E C 1.109 177.664 176.600 -0.076 0.000 1.028 273 E CA 0.274 56.601 56.400 -0.121 0.000 0.864 273 E CB -0.112 29.536 29.700 -0.087 0.000 0.813 273 E HN 0.469 nan 8.360 nan 0.000 0.514 274 N N 0.967 119.629 118.700 -0.063 0.000 2.443 274 N HA -0.111 4.620 4.740 -0.015 0.000 0.184 274 N C 1.573 177.073 175.510 -0.017 0.000 1.037 274 N CA 0.662 53.704 53.050 -0.013 0.000 0.896 274 N CB -0.057 38.428 38.487 -0.003 0.000 0.959 274 N HN 0.253 nan 8.380 nan 0.000 0.442 275 I N 0.379 120.880 120.570 -0.115 0.000 2.194 275 I HA -0.262 3.899 4.170 -0.015 0.000 0.246 275 I C 1.472 177.543 176.117 -0.076 0.000 1.093 275 I CA 1.337 62.536 61.300 -0.169 0.000 1.355 275 I CB -0.186 37.546 38.000 -0.447 0.000 1.046 275 I HN 0.142 nan 8.210 nan 0.000 0.413 276 S N -0.598 115.051 115.700 -0.085 0.000 2.582 276 S HA 0.185 4.646 4.470 -0.015 0.000 0.234 276 S C 1.479 176.203 174.600 0.205 0.000 0.961 276 S CA -0.538 57.697 58.200 0.059 0.000 0.953 276 S CB 0.243 63.459 63.200 0.027 0.000 0.800 276 S HN 0.207 nan 8.310 nan 0.000 0.471 277 R N 1.305 121.931 120.500 0.210 0.000 2.073 277 R HA 0.264 4.595 4.340 -0.015 0.000 0.229 277 R C 0.363 176.914 176.300 0.419 0.000 1.120 277 R CA 1.137 57.405 56.100 0.280 0.000 0.967 277 R CB -0.217 30.215 30.300 0.221 0.000 0.862 277 R HN 0.391 nan 8.270 nan 0.000 0.436 278 V N 0.494 120.619 119.914 0.351 0.000 2.851 278 V HA 0.343 4.454 4.120 -0.015 0.000 0.307 278 V C -1.564 174.500 176.094 -0.051 0.000 1.129 278 V CA -1.380 61.047 62.300 0.211 0.000 0.932 278 V CB 1.741 33.614 31.823 0.083 0.000 1.024 278 V HN 0.159 nan 8.190 nan 0.000 0.426 279 L N 7.102 128.054 121.223 -0.451 0.000 2.410 279 L HA 0.428 4.759 4.340 -0.015 0.000 0.273 279 L C -0.774 175.929 176.870 -0.278 0.000 1.144 279 L CA 0.510 54.872 54.840 -0.797 0.000 0.863 279 L CB 0.317 41.847 42.059 -0.882 0.000 1.140 279 L HN 0.683 nan 8.230 nan 0.000 0.463 280 Y N 7.153 127.362 120.300 -0.152 0.000 2.569 280 Y HA 0.167 4.708 4.550 -0.015 0.000 0.332 280 Y C -1.316 174.582 175.900 -0.004 0.000 1.120 280 Y CA -1.110 56.977 58.100 -0.021 0.000 1.416 280 Y CB 0.313 38.788 38.460 0.026 0.000 1.210 280 Y HN 0.583 nan 8.280 nan 0.000 0.528 281 P HA 0.010 nan 4.420 nan 0.000 0.253 281 P C -0.825 176.616 177.300 0.235 0.000 1.508 281 P CA 0.121 63.338 63.100 0.195 0.000 0.883 281 P CB 0.100 32.004 31.700 0.340 0.000 1.519 282 N N 1.444 120.288 118.700 0.241 0.000 2.422 282 N HA 0.126 4.857 4.740 -0.015 0.000 0.264 282 N C -0.548 175.111 175.510 0.247 0.000 1.063 282 N CA 0.263 53.476 53.050 0.270 0.000 0.959 282 N CB 0.694 39.376 38.487 0.326 0.000 1.087 282 N HN 0.060 nan 8.380 nan 0.000 0.483 283 D N 1.090 121.658 120.400 0.281 0.000 2.349 283 D HA 0.224 4.855 4.640 -0.015 0.000 0.232 283 D C -0.268 176.244 176.300 0.352 0.000 1.071 283 D CA -0.295 53.869 54.000 0.273 0.000 0.832 283 D CB 0.197 41.147 40.800 0.251 0.000 1.086 283 D HN 0.348 nan 8.370 nan 0.000 0.504 284 N N 2.993 121.871 118.700 0.298 0.000 2.738 284 N HA -0.245 4.486 4.740 -0.015 0.000 0.249 284 N C -1.299 174.448 175.510 0.396 0.000 1.047 284 N CA 0.553 53.773 53.050 0.283 0.000 0.707 284 N CB -0.818 37.798 38.487 0.215 0.000 0.937 284 N HN 0.368 nan 8.380 nan 0.000 0.545 285 F N 0.462 120.520 119.950 0.180 0.000 2.650 285 F HA 0.480 4.998 4.527 -0.015 0.000 0.310 285 F C -1.582 174.306 175.800 0.146 0.000 1.112 285 F CA -1.059 57.026 58.000 0.141 0.000 0.986 285 F CB 1.072 40.120 39.000 0.080 0.000 1.285 285 F HN -0.039 nan 8.300 nan 0.000 0.440 286 F N 5.636 125.041 119.950 -0.908 0.000 2.388 286 F HA 0.475 4.993 4.527 -0.015 0.000 0.358 286 F C -0.594 174.717 175.800 -0.815 0.000 1.122 286 F CA -0.203 57.382 58.000 -0.692 0.000 1.056 286 F CB 0.793 39.467 39.000 -0.543 0.000 1.155 286 F HN 0.574 nan 8.300 nan 0.000 0.461 287 E N 4.114 123.672 120.200 -1.070 0.000 2.129 287 E HA 0.317 4.658 4.350 -0.015 0.000 0.268 287 E C -0.001 175.847 176.600 -1.253 0.000 0.900 287 E CA -0.749 55.148 56.400 -0.839 0.000 0.755 287 E CB 1.384 30.973 29.700 -0.186 0.000 1.117 287 E HN 0.922 nan 8.360 nan 0.000 0.410 288 G N 5.264 113.339 108.800 -1.208 0.000 3.401 288 G HA2 0.028 3.979 3.960 -0.015 0.000 0.251 288 G HA3 0.028 3.979 3.960 -0.015 0.000 0.251 288 G C -0.057 174.778 174.900 -0.108 0.000 0.960 288 G CA -0.227 44.342 45.100 -0.885 0.000 1.900 288 G HN 0.201 nan 8.290 nan 0.000 0.645 289 K N 0.517 120.902 120.400 -0.024 0.000 2.156 289 K HA 0.180 4.491 4.320 -0.015 0.000 0.271 289 K C 0.959 177.698 176.600 0.232 0.000 0.995 289 K CA -0.626 55.735 56.287 0.124 0.000 0.890 289 K CB 2.250 34.815 32.500 0.107 0.000 1.073 289 K HN 0.428 nan 8.250 nan 0.000 0.454 290 E N 1.888 122.191 120.200 0.172 0.000 2.085 290 E HA -0.218 4.123 4.350 -0.015 0.000 0.194 290 E C 1.475 178.102 176.600 0.045 0.000 0.994 290 E CA 1.041 57.491 56.400 0.084 0.000 0.801 290 E CB 0.177 29.928 29.700 0.086 0.000 0.743 290 E HN 0.402 nan 8.360 nan 0.000 0.453 291 L N 1.297 122.593 121.223 0.121 0.000 2.083 291 L HA -0.173 4.158 4.340 -0.015 0.000 0.209 291 L C 2.473 179.443 176.870 0.167 0.000 1.083 291 L CA 1.789 56.719 54.840 0.151 0.000 0.752 291 L CB -0.533 41.682 42.059 0.261 0.000 0.899 291 L HN 0.018 nan 8.230 nan 0.000 0.433 292 R N -0.599 119.948 120.500 0.077 0.000 2.081 292 R HA -0.168 4.163 4.340 -0.015 0.000 0.235 292 R C 2.110 178.457 176.300 0.079 0.000 1.131 292 R CA 1.879 57.950 56.100 -0.049 0.000 0.960 292 R CB -1.049 29.002 30.300 -0.415 0.000 0.856 292 R HN 0.401 nan 8.270 nan 0.000 0.436 293 L N 0.891 122.071 121.223 -0.071 0.000 2.046 293 L HA -0.077 4.254 4.340 -0.015 0.000 0.208 293 L C 1.741 178.551 176.870 -0.101 0.000 1.077 293 L CA 1.911 56.499 54.840 -0.419 0.000 0.747 293 L CB -0.452 41.034 42.059 -0.956 0.000 0.896 293 L HN 0.163 nan 8.230 nan 0.000 0.432 294 K N -0.982 119.403 120.400 -0.026 0.000 2.063 294 K HA -0.210 4.101 4.320 -0.015 0.000 0.208 294 K C 2.099 178.858 176.600 0.265 0.000 1.048 294 K CA 1.868 58.202 56.287 0.079 0.000 0.928 294 K CB -0.198 32.176 32.500 -0.210 0.000 0.713 294 K HN 0.502 nan 8.250 nan 0.000 0.442 295 Q N 0.589 120.516 119.800 0.211 0.000 2.061 295 Q HA -0.204 4.127 4.340 -0.015 0.000 0.204 295 Q C 1.989 178.196 176.000 0.344 0.000 0.984 295 Q CA 1.540 57.527 55.803 0.307 0.000 0.846 295 Q CB -0.040 28.901 28.738 0.338 0.000 0.902 295 Q HN 0.387 nan 8.270 nan 0.000 0.421 296 E N -0.240 120.116 120.200 0.260 0.000 2.077 296 E HA -0.213 4.128 4.350 -0.015 0.000 0.193 296 E C 1.762 178.486 176.600 0.207 0.000 0.989 296 E CA 1.056 57.594 56.400 0.229 0.000 0.800 296 E CB -0.155 29.659 29.700 0.191 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.450 120.801 120.300 0.086 0.000 2.242 297 Y HA -0.214 4.327 4.550 -0.015 0.000 0.291 297 Y C 1.975 177.914 175.900 0.064 0.000 1.137 297 Y CA 1.063 59.169 58.100 0.011 0.000 1.181 297 Y CB -0.388 38.047 38.460 -0.041 0.000 0.989 297 Y HN 0.019 nan 8.280 nan 0.000 0.527 298 F N -0.356 119.599 119.950 0.009 0.000 2.065 298 F HA -0.250 4.268 4.527 -0.015 0.000 0.298 298 F C 2.476 178.138 175.800 -0.231 0.000 1.112 298 F CA 2.025 59.978 58.000 -0.077 0.000 1.212 298 F CB -1.059 38.045 39.000 0.172 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.479 119.397 119.914 -0.063 0.000 2.358 299 V HA -0.206 3.905 4.120 -0.015 0.000 0.246 299 V C 2.219 178.174 176.094 -0.232 0.000 1.047 299 V CA 1.936 64.170 62.300 -0.110 0.000 1.035 299 V CB -0.382 31.576 31.823 0.225 0.000 0.658 299 V HN 0.263 nan 8.190 nan 0.000 0.452 300 V N 0.455 120.243 119.914 -0.209 0.000 2.295 300 V HA -0.205 3.906 4.120 -0.015 0.000 0.246 300 V C 2.806 178.653 176.094 -0.411 0.000 1.049 300 V CA 2.235 64.397 62.300 -0.231 0.000 1.024 300 V CB -1.135 30.613 31.823 -0.125 0.000 0.648 300 V HN 0.647 nan 8.190 nan 0.000 0.447 301 A N -0.204 122.195 122.820 -0.702 0.000 1.877 301 A HA -0.102 4.208 4.320 -0.015 0.000 0.216 301 A C 2.409 179.629 177.584 -0.606 0.000 1.186 301 A CA 2.129 53.742 52.037 -0.706 0.000 0.620 301 A CB -0.855 17.500 19.000 -1.074 0.000 0.822 301 A HN 0.569 nan 8.150 nan 0.000 0.443 302 A N -1.019 121.279 122.820 -0.871 0.000 1.877 302 A HA -0.077 4.234 4.320 -0.015 0.000 0.216 302 A C 2.319 179.433 177.584 -0.783 0.000 1.186 302 A CA 2.323 53.657 52.037 -1.171 0.000 0.620 302 A CB -1.317 16.309 19.000 -2.290 0.000 0.822 302 A HN 0.433 nan 8.150 nan 0.000 0.443 303 T N 0.269 114.511 114.554 -0.520 0.000 2.708 303 T HA -0.122 4.219 4.350 -0.015 0.000 0.266 303 T C 1.750 176.210 174.700 -0.400 0.000 1.037 303 T CA 1.621 63.536 62.100 -0.309 0.000 1.146 303 T CB -0.353 68.328 68.868 -0.312 0.000 0.865 303 T HN 0.208 nan 8.240 nan 0.000 0.435 304 L N 1.145 122.172 121.223 -0.326 0.000 2.083 304 L HA -0.069 4.262 4.340 -0.015 0.000 0.209 304 L C 2.653 179.421 176.870 -0.170 0.000 1.083 304 L CA 1.589 56.284 54.840 -0.241 0.000 0.752 304 L CB -0.820 41.135 42.059 -0.175 0.000 0.899 304 L HN 0.312 nan 8.230 nan 0.000 0.433 305 Q N -1.015 118.685 119.800 -0.168 0.000 2.084 305 Q HA -0.245 4.086 4.340 -0.015 0.000 0.202 305 Q C 1.844 177.831 176.000 -0.020 0.000 0.978 305 Q CA 1.644 57.398 55.803 -0.081 0.000 0.844 305 Q CB -0.182 28.495 28.738 -0.102 0.000 0.898 305 Q HN 0.436 nan 8.270 nan 0.000 0.426 306 D N 0.547 120.932 120.400 -0.026 0.000 2.097 306 D HA -0.112 4.518 4.640 -0.015 0.000 0.195 306 D C 1.708 177.973 176.300 -0.058 0.000 0.989 306 D CA 0.900 54.933 54.000 0.055 0.000 0.827 306 D CB -0.066 40.866 40.800 0.219 0.000 0.966 306 D HN 0.157 nan 8.370 nan 0.000 0.456 307 I N 0.169 120.584 120.570 -0.258 0.000 2.127 307 I HA -0.268 3.893 4.170 -0.015 0.000 0.241 307 I C 2.340 178.475 176.117 0.030 0.000 1.075 307 I CA 0.853 61.941 61.300 -0.354 0.000 1.334 307 I CB -0.208 37.426 38.000 -0.610 0.000 1.040 307 I HN 0.046 nan 8.210 nan 0.000 0.405 308 I N 0.158 120.804 120.570 0.126 0.000 2.226 308 I HA -0.290 3.871 4.170 -0.015 0.000 0.245 308 I C 2.796 179.088 176.117 0.291 0.000 1.100 308 I CA 1.176 62.666 61.300 0.317 0.000 1.374 308 I CB -0.436 37.700 38.000 0.228 0.000 1.057 308 I HN 0.188 nan 8.210 nan 0.000 0.413 309 R N 1.186 121.791 120.500 0.175 0.000 2.083 309 R HA -0.233 4.098 4.340 -0.015 0.000 0.237 309 R C 2.506 178.899 176.300 0.155 0.000 1.137 309 R CA 1.837 58.030 56.100 0.154 0.000 0.951 309 R CB -0.278 30.107 30.300 0.141 0.000 0.851 309 R HN 0.225 nan 8.270 nan 0.000 0.434 310 R N -0.614 119.975 120.500 0.149 0.000 2.096 310 R HA -0.161 4.170 4.340 -0.015 0.000 0.235 310 R C 2.181 178.585 176.300 0.173 0.000 1.127 310 R CA 1.618 57.806 56.100 0.147 0.000 0.968 310 R CB -0.347 30.024 30.300 0.119 0.000 0.861 310 R HN 0.287 nan 8.270 nan 0.000 0.440 311 F N 1.423 121.415 119.950 0.071 0.000 2.146 311 F HA -0.103 4.415 4.527 -0.015 0.000 0.298 311 F C 1.679 177.491 175.800 0.020 0.000 1.096 311 F CA 1.512 59.543 58.000 0.051 0.000 1.275 311 F CB 0.045 39.124 39.000 0.131 0.000 1.008 311 F HN -0.141 nan 8.300 nan 0.000 0.480 312 K N -0.314 120.048 120.400 -0.063 0.000 2.155 312 K HA -0.022 4.289 4.320 -0.015 0.000 0.203 312 K C 1.542 178.051 176.600 -0.151 0.000 1.052 312 K CA 1.200 57.372 56.287 -0.192 0.000 0.948 312 K CB -0.236 32.267 32.500 0.004 0.000 0.728 312 K HN 0.099 nan 8.250 nan 0.000 0.448 313 S N 1.313 116.990 115.700 -0.039 0.000 2.840 313 S HA 0.094 4.554 4.470 -0.015 0.000 0.235 313 S C 0.144 174.745 174.600 0.002 0.000 0.968 313 S CA -0.228 57.987 58.200 0.026 0.000 1.026 313 S CB 0.075 63.347 63.200 0.119 0.000 0.788 313 S HN 0.125 nan 8.310 nan 0.000 0.487 325 N N 0.769 119.420 118.700 -0.081 0.000 2.527 325 N HA 0.306 5.037 4.740 -0.015 0.000 0.236 325 N C -0.601 174.958 175.510 0.083 0.000 0.999 325 N CA -0.154 52.922 53.050 0.043 0.000 0.935 325 N CB 0.354 38.865 38.487 0.041 0.000 1.132 325 N HN 0.124 nan 8.380 nan 0.000 0.511 326 F N 1.858 121.922 119.950 0.190 0.000 2.797 326 F HA 0.119 4.637 4.527 -0.015 0.000 0.302 326 F C 1.314 177.180 175.800 0.111 0.000 1.130 326 F CA -0.091 57.995 58.000 0.142 0.000 1.387 326 F CB 0.373 39.338 39.000 -0.058 0.000 1.107 326 F HN 0.467 nan 8.300 nan 0.000 0.577 327 D N 0.497 121.038 120.400 0.234 0.000 2.178 327 D HA -0.166 4.465 4.640 -0.015 0.000 0.201 327 D C 2.178 178.570 176.300 0.153 0.000 0.980 327 D CA 1.275 55.369 54.000 0.157 0.000 0.842 327 D CB -0.090 40.778 40.800 0.114 0.000 0.948 327 D HN 0.240 nan 8.370 nan 0.000 0.472 328 A N -0.768 122.173 122.820 0.202 0.000 2.251 328 A HA 0.102 4.413 4.320 -0.015 0.000 0.209 328 A C 1.582 179.284 177.584 0.197 0.000 1.187 328 A CA -0.262 51.894 52.037 0.198 0.000 0.823 328 A CB -0.732 18.396 19.000 0.213 0.000 0.846 328 A HN 0.217 nan 8.150 nan 0.000 0.486 329 F N 1.936 121.840 119.950 -0.077 0.000 2.065 329 F HA -0.137 4.381 4.527 -0.015 0.000 0.298 329 F C -0.774 174.908 175.800 -0.196 0.000 1.112 329 F CA 2.544 60.274 58.000 -0.450 0.000 1.212 329 F CB -0.577 38.158 39.000 -0.443 0.000 0.975 329 F HN 0.198 nan 8.300 nan 0.000 0.476 330 P HA -0.098 nan 4.420 nan 0.000 0.226 330 P C 0.722 177.979 177.300 -0.070 0.000 1.153 330 P CA 1.458 64.527 63.100 -0.051 0.000 0.777 330 P CB -0.079 31.618 31.700 -0.005 0.000 0.794 331 D N -0.790 119.590 120.400 -0.033 0.000 2.317 331 D HA -0.039 4.592 4.640 -0.015 0.000 0.211 331 D C 1.500 177.787 176.300 -0.022 0.000 0.966 331 D CA 0.931 54.924 54.000 -0.011 0.000 0.876 331 D CB 0.092 40.907 40.800 0.025 0.000 0.927 331 D HN 0.162 nan 8.370 nan 0.000 0.519 332 K N -0.026 120.337 120.400 -0.062 0.000 2.412 332 K HA 0.210 4.521 4.320 -0.015 0.000 0.202 332 K C -0.122 176.395 176.600 -0.139 0.000 1.102 332 K CA 0.079 56.342 56.287 -0.040 0.000 1.027 332 K CB 2.415 34.995 32.500 0.133 0.000 0.931 332 K HN -0.068 nan 8.250 nan 0.000 0.557 333 V N 1.116 120.857 119.914 -0.288 0.000 2.623 333 V HA 0.590 4.701 4.120 -0.015 0.000 0.304 333 V C -1.064 174.940 176.094 -0.150 0.000 1.054 333 V CA -1.252 60.875 62.300 -0.289 0.000 0.882 333 V CB 1.791 33.127 31.823 -0.811 0.000 1.002 333 V HN 0.116 nan 8.190 nan 0.000 0.424 334 A N 5.827 128.612 122.820 -0.058 0.000 2.343 334 A HA 0.927 5.237 4.320 -0.015 0.000 0.316 334 A C -0.916 176.694 177.584 0.043 0.000 1.104 334 A CA -0.490 51.544 52.037 -0.006 0.000 0.768 334 A CB 0.936 19.884 19.000 -0.085 0.000 1.213 334 A HN 0.775 nan 8.150 nan 0.000 0.456 335 I N 1.856 122.494 120.570 0.113 0.000 2.382 335 I HA 0.298 4.459 4.170 -0.015 0.000 0.286 335 I C -0.294 175.913 176.117 0.150 0.000 1.002 335 I CA -0.532 60.846 61.300 0.130 0.000 1.135 335 I CB 1.905 39.963 38.000 0.097 0.000 1.288 335 I HN 0.689 nan 8.210 nan 0.000 0.448 336 Q N 6.739 126.625 119.800 0.144 0.000 2.314 336 Q HA 0.506 4.837 4.340 -0.015 0.000 0.259 336 Q C -1.304 174.688 176.000 -0.014 0.000 0.951 336 Q CA -0.269 55.639 55.803 0.176 0.000 0.909 336 Q CB 1.324 30.276 28.738 0.357 0.000 1.236 336 Q HN 0.569 nan 8.270 nan 0.000 0.444 337 L N 3.776 125.030 121.223 0.052 0.000 2.261 337 L HA 0.387 4.718 4.340 -0.015 0.000 0.289 337 L C 0.093 176.979 176.870 0.027 0.000 1.059 337 L CA -0.723 54.141 54.840 0.039 0.000 0.816 337 L CB 0.640 42.774 42.059 0.124 0.000 1.191 337 L HN 0.564 nan 8.230 nan 0.000 0.431 338 N N 3.932 122.572 118.700 -0.100 0.000 2.466 338 N HA 0.046 4.777 4.740 -0.015 0.000 0.263 338 N C -0.122 175.395 175.510 0.011 0.000 1.178 338 N CA 0.498 53.531 53.050 -0.028 0.000 0.983 338 N CB -0.226 38.164 38.487 -0.162 0.000 1.331 338 N HN 0.595 nan 8.380 nan 0.000 0.500 339 D N -0.515 119.989 120.400 0.174 0.000 3.841 339 D HA -0.236 4.395 4.640 -0.015 0.000 0.276 339 D C 0.560 176.951 176.300 0.152 0.000 2.088 339 D CA 1.764 55.859 54.000 0.158 0.000 1.152 339 D CB -0.521 40.173 40.800 -0.176 0.000 0.944 339 D HN 0.492 nan 8.370 nan 0.000 1.144 340 T N -2.801 111.781 114.554 0.048 0.000 3.129 340 T HA 0.074 4.415 4.350 -0.015 0.000 0.251 340 T C 1.618 176.392 174.700 0.122 0.000 1.117 340 T CA 1.591 63.705 62.100 0.023 0.000 1.034 340 T CB -0.529 68.327 68.868 -0.020 0.000 0.968 340 T HN 0.525 nan 8.240 nan 0.000 0.526 341 H N 2.626 121.790 119.070 0.157 0.000 2.352 341 H HA -0.001 4.546 4.556 -0.015 0.000 0.299 341 H C -0.912 174.512 175.328 0.160 0.000 1.097 341 H CA 0.949 57.105 56.048 0.179 0.000 1.311 341 H CB -0.947 28.922 29.762 0.179 0.000 1.377 341 H HN 0.440 nan 8.280 nan 0.000 0.504 342 P HA 0.085 nan 4.420 nan 0.000 0.254 342 P C 0.657 178.006 177.300 0.081 0.000 1.620 342 P CA 0.292 63.477 63.100 0.142 0.000 1.050 342 P CB 0.305 32.078 31.700 0.121 0.000 1.539 343 S N -0.396 115.345 115.700 0.068 0.000 2.440 343 S HA -0.124 4.337 4.470 -0.015 0.000 0.238 343 S C 1.726 176.329 174.600 0.006 0.000 1.010 343 S CA 0.769 58.968 58.200 -0.001 0.000 0.972 343 S CB -1.433 61.741 63.200 -0.043 0.000 0.774 343 S HN 0.157 nan 8.310 nan 0.000 0.501 344 L N 1.021 122.262 121.223 0.031 0.000 2.450 344 L HA 0.008 4.339 4.340 -0.015 0.000 0.224 344 L C 2.958 179.860 176.870 0.053 0.000 1.149 344 L CA 0.642 55.499 54.840 0.027 0.000 0.816 344 L CB -0.794 41.278 42.059 0.021 0.000 0.932 344 L HN 0.466 nan 8.230 nan 0.000 0.449 345 A N 0.625 123.461 122.820 0.027 0.000 1.986 345 A HA -0.229 4.082 4.320 -0.015 0.000 0.220 345 A C 2.171 179.754 177.584 -0.001 0.000 1.171 345 A CA 1.704 53.743 52.037 0.004 0.000 0.640 345 A CB -0.521 18.474 19.000 -0.007 0.000 0.811 345 A HN 0.389 nan 8.150 nan 0.000 0.451 346 I N 0.164 120.734 120.570 0.000 0.000 2.110 346 I HA -0.131 4.030 4.170 -0.015 0.000 0.236 346 I C -0.347 175.785 176.117 0.026 0.000 1.068 346 I CA 1.501 62.797 61.300 -0.007 0.000 1.333 346 I CB -0.954 37.041 38.000 -0.008 0.000 1.054 346 I HN 0.237 nan 8.210 nan 0.000 0.402 347 P HA -0.163 nan 4.420 nan 0.000 0.221 347 P C 1.264 178.603 177.300 0.065 0.000 1.150 347 P CA 1.451 64.593 63.100 0.070 0.000 0.800 347 P CB 0.049 31.811 31.700 0.103 0.000 0.787 348 E N 0.343 120.641 120.200 0.162 0.000 2.072 348 E HA -0.154 4.186 4.350 -0.015 0.000 0.191 348 E C 1.931 178.525 176.600 -0.010 0.000 0.985 348 E CA 0.693 57.201 56.400 0.180 0.000 0.801 348 E CB -1.223 28.630 29.700 0.254 0.000 0.750 348 E HN -0.000 nan 8.360 nan 0.000 0.452 349 L N -0.014 121.170 121.223 -0.064 0.000 2.046 349 L HA -0.122 4.209 4.340 -0.015 0.000 0.208 349 L C 2.107 178.839 176.870 -0.230 0.000 1.077 349 L CA 1.798 56.539 54.840 -0.165 0.000 0.747 349 L CB -0.559 41.402 42.059 -0.162 0.000 0.896 349 L HN 0.241 nan 8.230 nan 0.000 0.432 350 M N -0.808 118.673 119.600 -0.199 0.000 2.117 350 M HA -0.218 4.253 4.480 -0.015 0.000 0.262 350 M C 2.442 178.588 176.300 -0.257 0.000 1.065 350 M CA 1.581 56.714 55.300 -0.278 0.000 1.114 350 M CB -1.211 31.214 32.600 -0.292 0.000 1.361 350 M HN 0.344 nan 8.290 nan 0.000 0.408 351 R N 0.069 120.445 120.500 -0.206 0.000 2.083 351 R HA -0.136 4.195 4.340 -0.015 0.000 0.237 351 R C 2.062 178.262 176.300 -0.166 0.000 1.137 351 R CA 1.735 57.714 56.100 -0.202 0.000 0.951 351 R CB -0.195 29.931 30.300 -0.291 0.000 0.851 351 R HN 0.216 nan 8.270 nan 0.000 0.434 352 V N 1.459 121.273 119.914 -0.167 0.000 2.295 352 V HA -0.251 3.860 4.120 -0.015 0.000 0.246 352 V C 2.422 178.356 176.094 -0.267 0.000 1.049 352 V CA 1.701 63.895 62.300 -0.177 0.000 1.024 352 V CB -0.422 31.296 31.823 -0.174 0.000 0.648 352 V HN 0.347 nan 8.190 nan 0.000 0.447 353 L N -0.599 120.404 121.223 -0.367 0.000 2.056 353 L HA -0.122 4.208 4.340 -0.015 0.000 0.207 353 L C 2.378 179.065 176.870 -0.305 0.000 1.078 353 L CA 1.107 55.662 54.840 -0.476 0.000 0.749 353 L CB -0.545 41.188 42.059 -0.543 0.000 0.901 353 L HN 0.218 nan 8.230 nan 0.000 0.433 354 V N -0.678 119.104 119.914 -0.219 0.000 2.331 354 V HA -0.165 3.946 4.120 -0.015 0.000 0.242 354 V C 1.902 177.956 176.094 -0.066 0.000 1.034 354 V CA 1.605 63.839 62.300 -0.110 0.000 1.027 354 V CB -0.325 31.470 31.823 -0.047 0.000 0.667 354 V HN 0.331 nan 8.190 nan 0.000 0.457 355 D N -0.099 120.257 120.400 -0.073 0.000 2.194 355 D HA 0.011 4.642 4.640 -0.015 0.000 0.204 355 D C 1.979 178.253 176.300 -0.044 0.000 0.964 355 D CA 1.103 55.077 54.000 -0.044 0.000 0.846 355 D CB 0.147 40.919 40.800 -0.046 0.000 0.962 355 D HN 0.333 nan 8.370 nan 0.000 0.490 356 L N 0.052 121.233 121.223 -0.070 0.000 2.362 356 L HA 0.138 4.469 4.340 -0.015 0.000 0.204 356 L C 1.817 178.657 176.870 -0.050 0.000 1.060 356 L CA 0.410 55.218 54.840 -0.052 0.000 0.827 356 L CB 0.156 42.183 42.059 -0.053 0.000 1.027 356 L HN -0.208 nan 8.230 nan 0.000 0.474 357 E N 0.387 120.523 120.200 -0.107 0.000 2.447 357 E HA 0.043 4.384 4.350 -0.015 0.000 0.195 357 E C 0.103 176.669 176.600 -0.058 0.000 1.028 357 E CA -0.031 56.313 56.400 -0.093 0.000 0.876 357 E CB 0.393 29.920 29.700 -0.288 0.000 0.885 357 E HN 0.189 nan 8.360 nan 0.000 0.500 358 R N -0.354 120.108 120.500 -0.062 0.000 3.776 358 R HA -0.183 4.148 4.340 -0.015 0.000 0.312 358 R C -0.260 176.028 176.300 -0.020 0.000 1.181 358 R CA 0.234 56.320 56.100 -0.023 0.000 0.836 358 R CB -2.866 27.437 30.300 0.006 0.000 1.324 358 R HN 0.096 nan 8.270 nan 0.000 0.501 359 L N 2.463 123.645 121.223 -0.068 0.000 2.452 359 L HA 0.108 4.439 4.340 -0.015 0.000 0.267 359 L C 1.494 178.360 176.870 -0.008 0.000 1.188 359 L CA 0.400 55.210 54.840 -0.051 0.000 0.821 359 L CB 0.357 42.336 42.059 -0.134 0.000 1.102 359 L HN 0.138 nan 8.230 nan 0.000 0.470 360 D N 1.271 121.691 120.400 0.032 0.000 2.362 360 D HA -0.143 4.487 4.640 -0.015 0.000 0.242 360 D C 0.909 177.279 176.300 0.118 0.000 1.132 360 D CA -0.516 53.538 54.000 0.089 0.000 0.907 360 D CB 0.717 41.573 40.800 0.095 0.000 1.195 360 D HN 0.631 nan 8.370 nan 0.000 0.429 361 W N 2.098 123.403 121.300 0.008 0.000 2.317 361 W HA -0.224 4.427 4.660 -0.015 0.000 0.318 361 W C 1.046 177.613 176.519 0.079 0.000 1.227 361 W CA 1.846 59.204 57.345 0.021 0.000 1.269 361 W CB -0.237 29.216 29.460 -0.011 0.000 1.155 361 W HN 0.466 nan 8.180 nan 0.000 0.484 362 D N 0.301 120.895 120.400 0.324 0.000 2.144 362 D HA -0.190 4.440 4.640 -0.015 0.000 0.199 362 D C 1.875 178.277 176.300 0.169 0.000 0.984 362 D CA 1.815 55.982 54.000 0.278 0.000 0.834 362 D CB -0.353 40.585 40.800 0.231 0.000 0.955 362 D HN 0.111 nan 8.370 nan 0.000 0.465 363 K N 1.288 121.746 120.400 0.096 0.000 2.031 363 K HA 0.025 4.336 4.320 -0.015 0.000 0.205 363 K C 1.877 178.465 176.600 -0.019 0.000 1.049 363 K CA 1.389 57.704 56.287 0.047 0.000 0.939 363 K CB -0.514 32.011 32.500 0.041 0.000 0.717 363 K HN -0.021 nan 8.250 nan 0.000 0.438 364 A N 0.755 123.520 122.820 -0.091 0.000 1.908 364 A HA -0.199 4.112 4.320 -0.015 0.000 0.218 364 A C 2.244 179.719 177.584 -0.180 0.000 1.181 364 A CA 1.563 53.475 52.037 -0.208 0.000 0.627 364 A CB -1.249 17.566 19.000 -0.308 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.445 365 W N 0.627 121.704 121.300 -0.371 0.000 2.358 365 W HA -0.181 4.470 4.660 -0.015 0.000 0.303 365 W C 1.993 178.445 176.519 -0.111 0.000 1.208 365 W CA 1.874 59.049 57.345 -0.283 0.000 1.274 365 W CB -0.144 29.179 29.460 -0.228 0.000 1.138 365 W HN 0.622 nan 8.180 nan 0.000 0.515 366 E N 0.100 120.278 120.200 -0.036 0.000 2.058 366 E HA -0.230 4.110 4.350 -0.015 0.000 0.194 366 E C 2.053 178.571 176.600 -0.136 0.000 0.997 366 E CA 2.027 58.378 56.400 -0.083 0.000 0.801 366 E CB -0.341 29.372 29.700 0.022 0.000 0.746 366 E HN 0.051 nan 8.360 nan 0.000 0.450 367 V N 0.740 120.590 119.914 -0.107 0.000 2.295 367 V HA -0.267 3.844 4.120 -0.015 0.000 0.246 367 V C 2.398 178.425 176.094 -0.111 0.000 1.049 367 V CA 2.207 64.464 62.300 -0.072 0.000 1.024 367 V CB -0.792 30.984 31.823 -0.078 0.000 0.648 367 V HN 0.395 nan 8.190 nan 0.000 0.447 368 T N 0.029 114.440 114.554 -0.238 0.000 2.708 368 T HA -0.175 4.166 4.350 -0.015 0.000 0.266 368 T C 1.950 176.467 174.700 -0.306 0.000 1.037 368 T CA 1.764 63.696 62.100 -0.279 0.000 1.146 368 T CB -0.291 68.347 68.868 -0.383 0.000 0.865 368 T HN 0.280 nan 8.240 nan 0.000 0.435 369 V N 1.370 120.986 119.914 -0.496 0.000 2.343 369 V HA -0.168 3.943 4.120 -0.015 0.000 0.247 369 V C 2.357 178.409 176.094 -0.070 0.000 1.051 369 V CA 1.639 63.710 62.300 -0.382 0.000 1.036 369 V CB -0.490 31.029 31.823 -0.505 0.000 0.654 369 V HN 0.448 nan 8.190 nan 0.000 0.451 370 K N -0.493 119.848 120.400 -0.099 0.000 2.362 370 K HA -0.083 4.227 4.320 -0.015 0.000 0.200 370 K C 2.063 178.636 176.600 -0.045 0.000 1.046 370 K CA 1.487 57.699 56.287 -0.126 0.000 0.952 370 K CB -0.174 32.250 32.500 -0.127 0.000 0.753 370 K HN 0.479 nan 8.250 nan 0.000 0.466 371 T N 0.005 114.592 114.554 0.056 0.000 2.976 371 T HA 0.030 4.371 4.350 -0.015 0.000 0.257 371 T C 0.836 175.647 174.700 0.185 0.000 1.051 371 T CA 0.367 62.534 62.100 0.113 0.000 1.141 371 T CB 0.135 69.101 68.868 0.164 0.000 0.881 371 T HN 0.154 nan 8.240 nan 0.000 0.461 372 C N 2.482 121.871 119.300 0.150 0.000 2.401 372 C HA 0.880 5.331 4.460 -0.015 0.000 0.365 372 C C 0.599 175.635 174.990 0.076 0.000 1.250 372 C CA -1.207 57.872 59.018 0.102 0.000 2.131 372 C CB 0.002 27.742 27.740 -0.000 0.000 2.445 372 C HN 0.595 nan 8.230 nan 0.000 0.550 373 A N 2.333 125.194 122.820 0.068 0.000 2.498 373 A HA 0.784 5.095 4.320 -0.015 0.000 0.298 373 A C -1.568 176.080 177.584 0.106 0.000 1.075 373 A CA -0.435 51.588 52.037 -0.024 0.000 0.714 373 A CB 1.085 20.060 19.000 -0.041 0.000 1.299 373 A HN 0.938 nan 8.150 nan 0.000 0.407 374 Y N 0.977 121.218 120.300 -0.098 0.000 2.391 374 Y HA 0.627 5.168 4.550 -0.015 0.000 0.341 374 Y C -0.577 175.294 175.900 -0.048 0.000 0.965 374 Y CA -0.310 57.743 58.100 -0.077 0.000 1.067 374 Y CB 2.062 40.432 38.460 -0.150 0.000 1.199 374 Y HN 0.572 nan 8.280 nan 0.000 0.450 375 T N 6.562 120.888 114.554 -0.382 0.000 2.770 375 T HA 0.189 4.530 4.350 -0.015 0.000 0.283 375 T C -0.760 173.469 174.700 -0.786 0.000 0.988 375 T CA -0.801 61.012 62.100 -0.477 0.000 0.957 375 T CB 0.469 69.296 68.868 -0.068 0.000 0.930 375 T HN 0.658 nan 8.240 nan 0.000 0.443 376 N N 1.812 120.042 118.700 -0.784 0.000 2.498 376 N HA 0.125 4.856 4.740 -0.015 0.000 0.287 376 N C -0.038 175.330 175.510 -0.237 0.000 1.097 376 N CA -0.304 52.526 53.050 -0.368 0.000 0.973 376 N CB 0.747 39.198 38.487 -0.060 0.000 1.153 376 N HN 0.673 nan 8.380 nan 0.000 0.472 377 H N 0.972 120.068 119.070 0.043 0.000 2.923 377 H HA 0.172 4.719 4.556 -0.015 0.000 0.268 377 H C -0.296 174.971 175.328 -0.101 0.000 1.148 377 H CA -0.057 55.971 56.048 -0.034 0.000 1.146 377 H CB 1.088 30.837 29.762 -0.021 0.000 1.607 377 H HN 0.521 nan 8.280 nan 0.000 0.566 378 T N 0.377 114.970 114.554 0.065 0.000 2.977 378 T HA 0.202 4.543 4.350 -0.015 0.000 0.345 378 T C 0.475 175.203 174.700 0.048 0.000 1.562 378 T CA -0.395 61.699 62.100 -0.011 0.000 1.090 378 T CB 1.287 70.150 68.868 -0.009 0.000 1.383 378 T HN -0.026 nan 8.240 nan 0.000 0.484 379 V N 2.268 122.171 119.914 -0.018 0.000 3.578 379 V HA 0.554 4.665 4.120 -0.015 0.000 0.290 379 V C 0.687 176.745 176.094 -0.061 0.000 1.376 379 V CA 0.047 62.323 62.300 -0.041 0.000 1.083 379 V CB -0.437 31.362 31.823 -0.039 0.000 0.911 379 V HN 0.711 nan 8.190 nan 0.000 0.433 380 L N 3.107 124.287 121.223 -0.072 0.000 2.534 380 L HA 0.214 4.545 4.340 -0.015 0.000 0.271 380 L C -0.635 176.238 176.870 0.004 0.000 1.178 380 L CA -0.996 53.827 54.840 -0.027 0.000 0.907 380 L CB 0.672 42.708 42.059 -0.039 0.000 1.164 380 L HN 0.137 nan 8.230 nan 0.000 0.482 381 P HA -0.199 nan 4.420 nan 0.000 0.218 381 P C 0.998 178.297 177.300 -0.001 0.000 1.149 381 P CA 1.155 64.253 63.100 -0.003 0.000 0.817 381 P CB 0.069 31.771 31.700 0.002 0.000 0.785 382 E N 0.450 120.678 120.200 0.047 0.000 2.338 382 E HA -0.073 4.268 4.350 -0.015 0.000 0.197 382 E C 1.664 178.234 176.600 -0.050 0.000 1.007 382 E CA 1.150 57.570 56.400 0.033 0.000 0.849 382 E CB -0.785 29.030 29.700 0.191 0.000 0.774 382 E HN 0.191 nan 8.360 nan 0.000 0.506 383 A N 1.325 124.157 122.820 0.020 0.000 2.132 383 A HA 0.214 4.525 4.320 -0.015 0.000 0.213 383 A C 1.418 178.994 177.584 -0.014 0.000 1.154 383 A CA -0.241 51.820 52.037 0.040 0.000 0.753 383 A CB -0.137 18.922 19.000 0.097 0.000 0.826 383 A HN 0.154 nan 8.150 nan 0.000 0.469 384 L N 1.489 122.661 121.223 -0.086 0.000 2.416 384 L HA 0.114 4.445 4.340 -0.015 0.000 0.272 384 L C -0.037 176.517 176.870 -0.526 0.000 1.161 384 L CA -0.184 54.549 54.840 -0.179 0.000 0.845 384 L CB 0.553 42.539 42.059 -0.121 0.000 1.119 384 L HN 0.334 nan 8.230 nan 0.000 0.464 385 E N 4.182 123.980 120.200 -0.670 0.000 2.217 385 E HA 0.196 4.537 4.350 -0.015 0.000 0.279 385 E C -0.599 175.347 176.600 -1.090 0.000 1.068 385 E CA -0.121 55.421 56.400 -1.429 0.000 0.882 385 E CB 0.675 29.903 29.700 -0.786 0.000 1.039 385 E HN 0.385 nan 8.360 nan 0.000 0.418 386 R N 3.624 123.314 120.500 -1.350 0.000 2.407 386 R HA 0.201 4.532 4.340 -0.015 0.000 0.298 386 R C -1.261 174.833 176.300 -0.345 0.000 1.166 386 R CA -0.529 55.237 56.100 -0.556 0.000 1.006 386 R CB 0.848 30.968 30.300 -0.301 0.000 1.145 386 R HN 0.452 nan 8.270 nan 0.000 0.538 387 W N 4.732 125.974 121.300 -0.097 0.000 2.311 387 W HA 0.272 4.923 4.660 -0.015 0.000 0.310 387 W C -1.875 174.628 176.519 -0.027 0.000 1.274 387 W CA -2.170 55.188 57.345 0.022 0.000 1.215 387 W CB 0.821 30.271 29.460 -0.016 0.000 1.227 387 W HN 0.262 nan 8.180 nan 0.000 0.523 388 P HA -0.111 nan 4.420 nan 0.000 0.262 388 P C 0.835 178.104 177.300 -0.052 0.000 1.182 388 P CA 0.308 63.416 63.100 0.013 0.000 0.761 388 P CB 0.699 32.260 31.700 -0.232 0.000 0.795 389 V N 3.387 123.320 119.914 0.032 0.000 2.392 389 V HA -0.290 3.821 4.120 -0.015 0.000 0.249 389 V C 2.139 178.252 176.094 0.033 0.000 1.059 389 V CA 2.587 64.917 62.300 0.051 0.000 1.051 389 V CB -1.662 30.248 31.823 0.145 0.000 0.658 389 V HN 0.766 nan 8.190 nan 0.000 0.455 390 H N -1.174 117.957 119.070 0.102 0.000 2.457 390 H HA -0.068 4.479 4.556 -0.015 0.000 0.294 390 H C 2.013 177.393 175.328 0.087 0.000 1.064 390 H CA 1.576 57.679 56.048 0.092 0.000 1.330 390 H CB -0.551 29.266 29.762 0.091 0.000 1.395 390 H HN 0.354 nan 8.280 nan 0.000 0.541 391 L N 0.002 121.037 121.223 -0.314 0.000 2.027 391 L HA -0.094 4.237 4.340 -0.015 0.000 0.206 391 L C 2.343 179.158 176.870 -0.092 0.000 1.074 391 L CA 1.059 55.824 54.840 -0.125 0.000 0.745 391 L CB -0.244 41.738 42.059 -0.128 0.000 0.898 391 L HN 0.333 nan 8.230 nan 0.000 0.433 392 L N -0.705 120.445 121.223 -0.122 0.000 2.156 392 L HA -0.198 4.133 4.340 -0.015 0.000 0.208 392 L C 2.459 179.265 176.870 -0.107 0.000 1.095 392 L CA 0.910 55.654 54.840 -0.161 0.000 0.770 392 L CB -0.372 41.581 42.059 -0.177 0.000 0.914 392 L HN 0.303 nan 8.230 nan 0.000 0.439 393 E N -0.271 119.910 120.200 -0.032 0.000 2.085 393 E HA -0.209 4.132 4.350 -0.015 0.000 0.194 393 E C 1.905 178.541 176.600 0.060 0.000 0.994 393 E CA 1.932 58.345 56.400 0.021 0.000 0.801 393 E CB 0.160 29.912 29.700 0.087 0.000 0.743 393 E HN 0.412 nan 8.360 nan 0.000 0.453 394 T N 0.645 115.258 114.554 0.099 0.000 2.852 394 T HA -0.073 4.268 4.350 -0.015 0.000 0.256 394 T C 1.729 176.549 174.700 0.200 0.000 1.038 394 T CA 0.737 62.952 62.100 0.190 0.000 1.141 394 T CB -0.155 68.857 68.868 0.241 0.000 0.869 394 T HN 0.069 nan 8.240 nan 0.000 0.439 395 L N 0.049 121.285 121.223 0.023 0.000 2.095 395 L HA 0.337 4.668 4.340 -0.015 0.000 0.204 395 L C 0.444 177.258 176.870 -0.093 0.000 1.080 395 L CA 1.610 56.345 54.840 -0.176 0.000 0.759 395 L CB -0.010 41.901 42.059 -0.247 0.000 0.914 395 L HN 0.177 nan 8.230 nan 0.000 0.439 396 L N 0.664 121.788 121.223 -0.164 0.000 2.625 396 L HA 0.290 4.621 4.340 -0.015 0.000 0.255 396 L C -1.695 174.985 176.870 -0.316 0.000 1.493 396 L CA -0.952 53.700 54.840 -0.312 0.000 0.796 396 L CB 0.860 42.594 42.059 -0.541 0.000 1.064 396 L HN -0.046 nan 8.230 nan 0.000 0.516 397 P HA -0.194 nan 4.420 nan 0.000 0.216 397 P C 1.461 178.555 177.300 -0.343 0.000 1.150 397 P CA 1.132 64.102 63.100 -0.218 0.000 0.837 397 P CB 0.386 32.035 31.700 -0.085 0.000 0.786 398 R N -0.170 119.937 120.500 -0.655 0.000 2.090 398 R HA -0.126 4.205 4.340 -0.015 0.000 0.228 398 R C 2.311 178.295 176.300 -0.528 0.000 1.110 398 R CA 1.624 57.349 56.100 -0.624 0.000 0.973 398 R CB -1.649 28.120 30.300 -0.885 0.000 0.869 398 R HN 0.242 nan 8.270 nan 0.000 0.440 399 H N -0.282 118.469 119.070 -0.531 0.000 2.387 399 H HA -0.064 4.483 4.556 -0.015 0.000 0.299 399 H C 1.816 176.963 175.328 -0.301 0.000 1.090 399 H CA 1.678 57.501 56.048 -0.376 0.000 1.332 399 H CB -0.120 29.383 29.762 -0.432 0.000 1.386 399 H HN 0.082 nan 8.280 nan 0.000 0.516 400 L N 0.574 121.660 121.223 -0.229 0.000 2.017 400 L HA -0.255 4.076 4.340 -0.015 0.000 0.208 400 L C 1.903 178.536 176.870 -0.395 0.000 1.073 400 L CA 1.654 56.281 54.840 -0.356 0.000 0.745 400 L CB -0.329 41.534 42.059 -0.327 0.000 0.894 400 L HN 0.456 nan 8.230 nan 0.000 0.432 401 Q N -0.321 119.365 119.800 -0.190 0.000 2.096 401 Q HA -0.245 4.086 4.340 -0.015 0.000 0.204 401 Q C 2.154 178.156 176.000 0.004 0.000 0.982 401 Q CA 1.696 57.485 55.803 -0.023 0.000 0.850 401 Q CB -0.124 28.617 28.738 0.005 0.000 0.901 401 Q HN 0.561 nan 8.270 nan 0.000 0.422 402 I N 0.344 120.901 120.570 -0.021 0.000 2.315 402 I HA -0.263 3.897 4.170 -0.015 0.000 0.248 402 I C 2.134 178.328 176.117 0.128 0.000 1.117 402 I CA 0.983 62.360 61.300 0.129 0.000 1.404 402 I CB -0.115 37.928 38.000 0.070 0.000 1.071 402 I HN 0.184 nan 8.210 nan 0.000 0.419 403 I N -0.470 120.091 120.570 -0.014 0.000 2.286 403 I HA -0.321 3.840 4.170 -0.015 0.000 0.248 403 I C 2.358 178.501 176.117 0.043 0.000 1.115 403 I CA 1.392 62.678 61.300 -0.024 0.000 1.392 403 I CB -0.368 37.551 38.000 -0.135 0.000 1.065 403 I HN 0.167 nan 8.210 nan 0.000 0.418 404 Y N 0.779 121.086 120.300 0.012 0.000 2.181 404 Y HA -0.266 4.275 4.550 -0.015 0.000 0.288 404 Y C 2.601 178.470 175.900 -0.052 0.000 1.146 404 Y CA 1.467 59.560 58.100 -0.012 0.000 1.164 404 Y CB -0.802 37.642 38.460 -0.026 0.000 0.982 404 Y HN 0.196 nan 8.280 nan 0.000 0.515 405 E N 0.349 120.591 120.200 0.070 0.000 2.072 405 E HA -0.129 4.212 4.350 -0.015 0.000 0.191 405 E C 2.076 178.601 176.600 -0.126 0.000 0.985 405 E CA 1.171 57.471 56.400 -0.168 0.000 0.801 405 E CB -0.502 28.914 29.700 -0.474 0.000 0.750 405 E HN 0.463 nan 8.360 nan 0.000 0.452 406 I N 0.658 121.260 120.570 0.054 0.000 2.163 406 I HA -0.288 3.873 4.170 -0.015 0.000 0.243 406 I C 2.280 178.410 176.117 0.021 0.000 1.085 406 I CA 1.385 62.672 61.300 -0.022 0.000 1.347 406 I CB -0.441 37.553 38.000 -0.010 0.000 1.044 406 I HN 0.202 nan 8.210 nan 0.000 0.408 407 N N 0.767 119.525 118.700 0.097 0.000 2.069 407 N HA -0.270 4.461 4.740 -0.015 0.000 0.191 407 N C 1.870 177.467 175.510 0.145 0.000 1.031 407 N CA 1.582 54.736 53.050 0.174 0.000 0.852 407 N CB -0.164 38.442 38.487 0.198 0.000 1.018 407 N HN 0.326 nan 8.380 nan 0.000 0.423 408 Q N -0.013 119.819 119.800 0.052 0.000 2.050 408 Q HA -0.126 4.205 4.340 -0.015 0.000 0.202 408 Q C 2.052 178.039 176.000 -0.022 0.000 0.980 408 Q CA 1.426 57.224 55.803 -0.010 0.000 0.840 408 Q CB -0.008 28.684 28.738 -0.076 0.000 0.898 408 Q HN 0.360 nan 8.270 nan 0.000 0.424 409 R N -0.699 119.768 120.500 -0.056 0.000 2.092 409 R HA -0.125 4.206 4.340 -0.015 0.000 0.231 409 R C 2.158 178.484 176.300 0.042 0.000 1.119 409 R CA 1.351 57.416 56.100 -0.058 0.000 0.970 409 R CB -0.354 29.861 30.300 -0.142 0.000 0.864 409 R HN 0.275 nan 8.270 nan 0.000 0.440 410 F N 1.355 121.277 119.950 -0.047 0.000 2.102 410 F HA -0.120 4.398 4.527 -0.015 0.000 0.298 410 F C 1.803 177.624 175.800 0.034 0.000 1.105 410 F CA 1.394 59.413 58.000 0.032 0.000 1.239 410 F CB -0.166 38.884 39.000 0.084 0.000 0.991 410 F HN -0.102 nan 8.300 nan 0.000 0.474 411 L N -0.125 121.105 121.223 0.013 0.000 2.141 411 L HA -0.218 4.113 4.340 -0.015 0.000 0.209 411 L C 1.997 178.803 176.870 -0.106 0.000 1.094 411 L CA 1.511 56.299 54.840 -0.087 0.000 0.763 411 L CB -0.897 41.172 42.059 0.017 0.000 0.908 411 L HN 0.233 nan 8.230 nan 0.000 0.437 412 N N -0.166 118.491 118.700 -0.071 0.000 2.166 412 N HA -0.177 4.554 4.740 -0.015 0.000 0.186 412 N C 1.922 177.382 175.510 -0.083 0.000 1.019 412 N CA 0.844 53.854 53.050 -0.067 0.000 0.856 412 N CB -0.009 38.445 38.487 -0.054 0.000 0.993 412 N HN 0.292 nan 8.380 nan 0.000 0.426 413 R N 0.530 120.962 120.500 -0.113 0.000 2.075 413 R HA -0.040 4.290 4.340 -0.015 0.000 0.232 413 R C 2.210 178.416 176.300 -0.155 0.000 1.126 413 R CA 0.866 56.893 56.100 -0.121 0.000 0.963 413 R CB -0.343 29.890 30.300 -0.113 0.000 0.858 413 R HN 0.083 nan 8.270 nan 0.000 0.435 414 V N 1.066 120.830 119.914 -0.250 0.000 2.295 414 V HA -0.252 3.859 4.120 -0.015 0.000 0.246 414 V C 2.459 178.554 176.094 0.002 0.000 1.049 414 V CA 2.010 64.226 62.300 -0.140 0.000 1.024 414 V CB -0.768 30.890 31.823 -0.275 0.000 0.648 414 V HN 0.408 nan 8.190 nan 0.000 0.447 415 A N -0.027 122.765 122.820 -0.047 0.000 1.940 415 A HA -0.138 4.173 4.320 -0.015 0.000 0.219 415 A C 2.386 179.954 177.584 -0.027 0.000 1.176 415 A CA 2.182 54.208 52.037 -0.019 0.000 0.631 415 A CB -0.713 18.267 19.000 -0.035 0.000 0.814 415 A HN 0.591 nan 8.150 nan 0.000 0.446 416 A N -0.537 122.250 122.820 -0.056 0.000 1.929 416 A HA 0.279 4.590 4.320 -0.015 0.000 0.216 416 A C 2.404 179.912 177.584 -0.126 0.000 1.176 416 A CA 1.760 53.752 52.037 -0.074 0.000 0.628 416 A CB -0.722 18.237 19.000 -0.069 0.000 0.816 416 A HN 0.979 nan 8.150 nan 0.000 0.444 417 A N -1.635 121.078 122.820 -0.177 0.000 1.975 417 A HA 0.352 4.663 4.320 -0.015 0.000 0.215 417 A C 0.491 177.673 177.584 -0.670 0.000 1.170 417 A CA 0.558 52.335 52.037 -0.434 0.000 0.656 417 A CB -0.188 18.502 19.000 -0.517 0.000 0.821 417 A HN 0.426 nan 8.150 nan 0.000 0.449 418 F N 0.026 119.929 119.950 -0.079 0.000 2.584 418 F HA 0.342 4.860 4.527 -0.015 0.000 0.328 418 F C -2.786 172.977 175.800 -0.061 0.000 1.407 418 F CA -2.694 55.264 58.000 -0.069 0.000 1.145 418 F CB 0.871 39.822 39.000 -0.082 0.000 1.440 418 F HN -0.061 nan 8.300 nan 0.000 0.580 419 P HA 0.216 nan 4.420 nan 0.000 0.267 419 P C 0.991 178.310 177.300 0.032 0.000 1.205 419 P CA 0.866 63.978 63.100 0.020 0.000 0.765 419 P CB 0.985 32.678 31.700 -0.012 0.000 0.828 420 G N 2.459 111.271 108.800 0.020 0.000 2.205 420 G HA2 -0.242 3.709 3.960 -0.015 0.000 0.261 420 G HA3 -0.242 3.709 3.960 -0.015 0.000 0.261 420 G C 0.324 175.233 174.900 0.015 0.000 0.980 420 G CA 0.013 45.121 45.100 0.013 0.000 0.632 420 G HN 0.599 nan 8.290 nan 0.000 0.533 421 D N 1.431 121.848 120.400 0.029 0.000 2.551 421 D HA 0.388 5.019 4.640 -0.015 0.000 0.223 421 D C 2.108 178.397 176.300 -0.018 0.000 1.144 421 D CA 0.402 54.405 54.000 0.006 0.000 1.025 421 D CB 0.341 41.146 40.800 0.009 0.000 1.085 421 D HN 0.569 nan 8.370 nan 0.000 0.506 422 V N 0.593 120.498 119.914 -0.014 0.000 2.515 422 V HA -0.150 3.961 4.120 -0.015 0.000 0.250 422 V C 1.821 177.902 176.094 -0.022 0.000 1.058 422 V CA 1.518 63.808 62.300 -0.016 0.000 1.064 422 V CB -0.489 31.329 31.823 -0.009 0.000 0.675 422 V HN 0.217 nan 8.190 nan 0.000 0.461 423 D N 0.303 120.687 120.400 -0.027 0.000 2.178 423 D HA -0.157 4.474 4.640 -0.015 0.000 0.202 423 D C 2.341 178.613 176.300 -0.048 0.000 0.974 423 D CA 1.248 55.231 54.000 -0.027 0.000 0.841 423 D CB -0.199 40.586 40.800 -0.025 0.000 0.953 423 D HN 0.410 nan 8.370 nan 0.000 0.478 424 R N -0.158 120.288 120.500 -0.089 0.000 2.081 424 R HA -0.102 4.229 4.340 -0.015 0.000 0.235 424 R C 2.296 178.523 176.300 -0.122 0.000 1.131 424 R CA 0.932 56.940 56.100 -0.153 0.000 0.960 424 R CB -0.270 29.875 30.300 -0.258 0.000 0.856 424 R HN 0.260 nan 8.270 nan 0.000 0.436 425 L N 0.514 121.690 121.223 -0.078 0.000 2.013 425 L HA -0.239 4.092 4.340 -0.015 0.000 0.212 425 L C 2.687 179.558 176.870 0.003 0.000 1.073 425 L CA 1.989 56.803 54.840 -0.044 0.000 0.753 425 L CB -0.507 41.536 42.059 -0.026 0.000 0.890 425 L HN 0.300 nan 8.230 nan 0.000 0.432 426 R N 0.045 120.553 120.500 0.012 0.000 2.115 426 R HA -0.084 4.247 4.340 -0.015 0.000 0.226 426 R C 2.172 178.523 176.300 0.085 0.000 1.100 426 R CA 0.934 57.064 56.100 0.050 0.000 0.980 426 R CB -0.504 29.819 30.300 0.038 0.000 0.875 426 R HN 0.182 nan 8.270 nan 0.000 0.445 427 R N 0.147 120.680 120.500 0.054 0.000 2.092 427 R HA 0.087 4.418 4.340 -0.015 0.000 0.231 427 R C 2.023 178.416 176.300 0.154 0.000 1.119 427 R CA 1.828 57.987 56.100 0.097 0.000 0.970 427 R CB -0.206 30.111 30.300 0.028 0.000 0.864 427 R HN 0.330 nan 8.270 nan 0.000 0.440 428 M N 0.133 119.744 119.600 0.019 0.000 2.509 428 M HA 0.046 4.517 4.480 -0.015 0.000 0.250 428 M C 0.820 177.280 176.300 0.266 0.000 1.132 428 M CA -0.015 55.241 55.300 -0.074 0.000 1.080 428 M CB 0.482 32.871 32.600 -0.353 0.000 1.408 428 M HN -0.079 nan 8.290 nan 0.000 0.484 429 S N 1.104 116.970 115.700 0.278 0.000 2.558 429 S HA 0.060 4.521 4.470 -0.015 0.000 0.288 429 S C 1.177 176.035 174.600 0.430 0.000 1.318 429 S CA -0.264 58.123 58.200 0.313 0.000 1.056 429 S CB 0.573 63.897 63.200 0.206 0.000 0.853 429 S HN 0.368 nan 8.310 nan 0.000 0.505 430 L N 4.153 125.581 121.223 0.342 0.000 2.217 430 L HA 0.072 4.403 4.340 -0.015 0.000 0.211 430 L C 0.413 177.393 176.870 0.184 0.000 1.107 430 L CA 0.424 55.422 54.840 0.262 0.000 0.783 430 L CB -0.457 41.702 42.059 0.167 0.000 0.919 430 L HN 0.418 nan 8.230 nan 0.000 0.442 431 V N 0.999 121.033 119.914 0.199 0.000 2.364 431 V HA 0.142 4.253 4.120 -0.015 0.000 0.272 431 V C 0.109 176.288 176.094 0.142 0.000 1.036 431 V CA -0.530 61.874 62.300 0.175 0.000 0.880 431 V CB 1.203 33.157 31.823 0.219 0.000 0.991 431 V HN 0.185 nan 8.190 nan 0.000 0.460 432 E N 3.440 123.703 120.200 0.106 0.000 2.200 432 E HA 0.381 4.722 4.350 -0.015 0.000 0.283 432 E C -0.644 176.005 176.600 0.082 0.000 1.015 432 E CA -0.499 55.952 56.400 0.085 0.000 0.819 432 E CB 1.688 31.417 29.700 0.048 0.000 1.081 432 E HN 0.618 nan 8.360 nan 0.000 0.397 433 E N 0.949 121.193 120.200 0.074 0.000 2.318 433 E HA 0.615 4.956 4.350 -0.015 0.000 0.265 433 E C 0.117 176.750 176.600 0.056 0.000 1.069 433 E CA 0.199 56.638 56.400 0.064 0.000 0.893 433 E CB 1.567 31.298 29.700 0.052 0.000 1.076 433 E HN 0.630 nan 8.360 nan 0.000 0.414 434 G N -0.081 108.752 108.800 0.054 0.000 2.404 434 G HA2 0.313 4.264 3.960 -0.015 0.000 0.253 434 G HA3 0.313 4.264 3.960 -0.015 0.000 0.253 434 G C 0.281 175.212 174.900 0.051 0.000 1.253 434 G CA 0.024 45.153 45.100 0.048 0.000 0.917 434 G HN 0.543 nan 8.290 nan 0.000 0.480 435 A N -0.846 122.003 122.820 0.049 0.000 1.849 435 A HA 0.329 4.640 4.320 -0.015 0.000 0.217 435 A C 1.646 179.269 177.584 0.065 0.000 1.202 435 A CA 3.435 55.502 52.037 0.049 0.000 0.629 435 A CB -1.228 17.799 19.000 0.045 0.000 0.834 435 A HN 2.224 nan 8.150 nan 0.000 0.447 436 V N -2.644 117.321 119.914 0.085 0.000 2.513 436 V HA 0.520 4.631 4.120 -0.015 0.000 0.299 436 V C -0.460 175.706 176.094 0.119 0.000 1.035 436 V CA -1.383 60.992 62.300 0.124 0.000 0.889 436 V CB 1.396 33.325 31.823 0.178 0.000 0.988 436 V HN 0.320 nan 8.190 nan 0.000 0.440 437 K N 4.225 124.704 120.400 0.132 0.000 2.350 437 K HA 0.476 4.787 4.320 -0.015 0.000 0.279 437 K C -0.377 176.297 176.600 0.124 0.000 1.027 437 K CA -0.135 56.226 56.287 0.124 0.000 0.969 437 K CB 0.899 33.483 32.500 0.139 0.000 0.954 437 K HN 0.741 nan 8.250 nan 0.000 0.474 438 R N 1.641 122.201 120.500 0.100 0.000 2.795 438 R HA 0.459 4.790 4.340 -0.015 0.000 0.275 438 R C -0.588 175.753 176.300 0.068 0.000 0.981 438 R CA -1.003 55.144 56.100 0.079 0.000 0.917 438 R CB 1.355 31.680 30.300 0.043 0.000 1.202 438 R HN 0.378 nan 8.270 nan 0.000 0.469 439 I N 2.066 122.673 120.570 0.062 0.000 2.315 439 I HA 0.140 4.300 4.170 -0.015 0.000 0.291 439 I C -0.024 176.075 176.117 -0.030 0.000 1.006 439 I CA -0.665 60.658 61.300 0.039 0.000 1.265 439 I CB 0.971 38.996 38.000 0.043 0.000 1.387 439 I HN 0.501 nan 8.210 nan 0.000 0.475 440 N N 7.167 125.819 118.700 -0.079 0.000 2.402 440 N HA 0.086 4.817 4.740 -0.015 0.000 0.252 440 N C 0.795 176.202 175.510 -0.170 0.000 1.118 440 N CA -0.317 52.603 53.050 -0.216 0.000 0.945 440 N CB 0.967 39.175 38.487 -0.464 0.000 1.147 440 N HN 0.376 nan 8.380 nan 0.000 0.495 441 M N 2.462 121.962 119.600 -0.166 0.000 2.296 441 M HA -0.044 4.427 4.480 -0.015 0.000 0.265 441 M C 1.919 178.077 176.300 -0.236 0.000 1.064 441 M CA 0.643 55.864 55.300 -0.131 0.000 1.109 441 M CB -1.521 31.047 32.600 -0.054 0.000 1.396 441 M HN 0.603 nan 8.290 nan 0.000 0.430 442 A N -0.399 122.278 122.820 -0.239 0.000 1.898 442 A HA -0.168 4.143 4.320 -0.015 0.000 0.216 442 A C 1.993 179.340 177.584 -0.395 0.000 1.181 442 A CA 1.439 53.291 52.037 -0.309 0.000 0.620 442 A CB -1.111 17.916 19.000 0.045 0.000 0.819 442 A HN 0.587 nan 8.150 nan 0.000 0.442 443 H N -1.012 117.835 119.070 -0.372 0.000 2.353 443 H HA -0.047 4.499 4.556 -0.015 0.000 0.300 443 H C 2.132 177.232 175.328 -0.381 0.000 1.090 443 H CA 0.972 56.767 56.048 -0.423 0.000 1.327 443 H CB -0.078 29.663 29.762 -0.034 0.000 1.383 443 H HN 0.364 nan 8.280 nan 0.000 0.508 444 L N 0.449 121.588 121.223 -0.140 0.000 2.012 444 L HA -0.239 4.092 4.340 -0.015 0.000 0.210 444 L C 2.307 179.037 176.870 -0.233 0.000 1.073 444 L CA 1.384 56.138 54.840 -0.143 0.000 0.748 444 L CB -0.441 41.564 42.059 -0.091 0.000 0.891 444 L HN 0.451 nan 8.230 nan 0.000 0.431 445 C N -0.008 119.049 119.300 -0.404 0.000 2.429 445 C HA -0.173 4.278 4.460 -0.015 0.000 0.277 445 C C 2.663 177.381 174.990 -0.453 0.000 1.262 445 C CA 0.640 59.333 59.018 -0.542 0.000 1.733 445 C CB -0.754 26.274 27.740 -1.187 0.000 2.010 445 C HN 0.515 nan 8.230 nan 0.000 0.483 446 I N 1.416 121.670 120.570 -0.527 0.000 2.202 446 I HA -0.185 3.976 4.170 -0.015 0.000 0.242 446 I C 2.762 178.732 176.117 -0.245 0.000 1.091 446 I CA 1.618 62.665 61.300 -0.422 0.000 1.368 446 I CB -0.602 37.006 38.000 -0.652 0.000 1.058 446 I HN 0.254 nan 8.210 nan 0.000 0.410 447 A N 0.634 123.278 122.820 -0.293 0.000 1.908 447 A HA -0.141 4.170 4.320 -0.015 0.000 0.218 447 A C 2.226 179.863 177.584 0.088 0.000 1.181 447 A CA 2.023 53.934 52.037 -0.210 0.000 0.627 447 A CB -1.262 17.418 19.000 -0.534 0.000 0.818 447 A HN 0.490 nan 8.150 nan 0.000 0.445 448 G N -1.318 107.466 108.800 -0.027 0.000 3.284 448 G HA2 0.418 4.369 3.960 -0.015 0.000 0.236 448 G HA3 0.418 4.369 3.960 -0.015 0.000 0.236 448 G C 0.102 174.839 174.900 -0.272 0.000 1.158 448 G CA 0.519 45.486 45.100 -0.222 0.000 0.774 448 G HN 0.354 nan 8.290 nan 0.000 0.545 449 S N -0.351 115.246 115.700 -0.173 0.000 2.536 449 S HA 0.325 4.785 4.470 -0.015 0.000 0.298 449 S C 0.740 175.290 174.600 -0.083 0.000 1.083 449 S CA -0.711 57.413 58.200 -0.127 0.000 0.995 449 S CB 1.298 64.424 63.200 -0.123 0.000 1.058 449 S HN 0.500 nan 8.310 nan 0.000 0.488 450 H N -0.033 119.002 119.070 -0.059 0.000 2.551 450 H HA 0.473 5.020 4.556 -0.015 0.000 0.266 450 H C 0.146 175.464 175.328 -0.017 0.000 0.964 450 H CA 0.290 56.332 56.048 -0.011 0.000 1.180 450 H CB 0.150 29.920 29.762 0.013 0.000 1.408 450 H HN 0.503 nan 8.280 nan 0.000 0.563 451 A N 1.112 123.629 122.820 -0.505 0.000 2.455 451 A HA 0.560 4.871 4.320 -0.015 0.000 0.300 451 A C -1.351 176.032 177.584 -0.334 0.000 1.040 451 A CA -0.585 51.213 52.037 -0.399 0.000 0.697 451 A CB 2.260 20.989 19.000 -0.451 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.191 123.872 119.914 -0.388 0.000 2.531 452 V HA 0.548 4.659 4.120 -0.015 0.000 0.301 452 V C -0.759 175.143 176.094 -0.321 0.000 1.034 452 V CA -0.776 61.280 62.300 -0.406 0.000 0.865 452 V CB 1.789 33.195 31.823 -0.696 0.000 0.995 452 V HN 1.012 nan 8.190 nan 0.000 0.424 453 N N 3.125 121.658 118.700 -0.280 0.000 2.229 453 N HA 0.605 5.336 4.740 -0.015 0.000 0.298 453 N C -0.280 175.125 175.510 -0.176 0.000 1.114 453 N CA -0.362 52.568 53.050 -0.199 0.000 0.776 453 N CB 2.866 41.213 38.487 -0.232 0.000 1.501 453 N HN 0.639 nan 8.380 nan 0.000 0.474 454 G N -0.713 108.023 108.800 -0.107 0.000 2.535 454 G HA2 0.432 4.383 3.960 -0.015 0.000 0.303 454 G HA3 0.432 4.383 3.960 -0.015 0.000 0.303 454 G C 0.716 175.681 174.900 0.108 0.000 1.237 454 G CA -0.447 44.651 45.100 -0.004 0.000 0.986 454 G HN 0.662 nan 8.290 nan 0.000 0.494 455 V N -3.899 116.196 119.914 0.302 0.000 3.380 455 V HA 0.705 4.816 4.120 -0.015 0.000 0.307 455 V C 0.504 176.679 176.094 0.135 0.000 1.434 455 V CA 0.366 62.752 62.300 0.143 0.000 1.075 455 V CB -0.685 31.174 31.823 0.060 0.000 0.954 455 V HN 1.375 nan 8.190 nan 0.000 0.444 456 A N -0.023 122.889 122.820 0.153 0.000 2.599 456 A HA 0.639 4.950 4.320 -0.015 0.000 0.294 456 A C 0.657 178.293 177.584 0.087 0.000 1.055 456 A CA -0.095 52.009 52.037 0.111 0.000 0.683 456 A CB 1.204 20.258 19.000 0.090 0.000 1.278 456 A HN 0.035 nan 8.150 nan 0.000 0.412 457 R N 0.894 121.424 120.500 0.050 0.000 2.096 457 R HA -0.151 4.180 4.340 -0.015 0.000 0.240 457 R C 1.647 177.947 176.300 0.000 0.000 1.139 457 R CA 2.259 58.366 56.100 0.012 0.000 0.952 457 R CB -0.227 30.075 30.300 0.003 0.000 0.854 457 R HN 0.821 nan 8.270 nan 0.000 0.436 458 I N 0.261 120.839 120.570 0.014 0.000 2.286 458 I HA -0.301 3.860 4.170 -0.015 0.000 0.248 458 I C 2.351 178.478 176.117 0.017 0.000 1.115 458 I CA 1.847 63.148 61.300 0.001 0.000 1.392 458 I CB -0.222 37.776 38.000 -0.002 0.000 1.065 458 I HN 0.351 nan 8.210 nan 0.000 0.418 459 H N 0.274 119.316 119.070 -0.046 0.000 2.326 459 H HA -0.126 4.421 4.556 -0.015 0.000 0.301 459 H C 2.285 177.583 175.328 -0.051 0.000 1.081 459 H CA 2.230 58.247 56.048 -0.052 0.000 1.334 459 H CB -0.293 29.443 29.762 -0.043 0.000 1.385 459 H HN 0.230 nan 8.280 nan 0.000 0.504 460 S N 0.396 115.978 115.700 -0.196 0.000 2.382 460 S HA -0.132 4.329 4.470 -0.015 0.000 0.228 460 S C 1.900 176.386 174.600 -0.191 0.000 1.027 460 S CA 1.235 59.302 58.200 -0.221 0.000 0.991 460 S CB -0.087 63.053 63.200 -0.098 0.000 0.823 460 S HN 0.488 nan 8.310 nan 0.000 0.469 461 E N 1.156 121.265 120.200 -0.152 0.000 2.072 461 E HA -0.012 4.328 4.350 -0.015 0.000 0.191 461 E C 2.029 178.519 176.600 -0.184 0.000 0.985 461 E CA 0.654 56.955 56.400 -0.166 0.000 0.801 461 E CB -0.388 29.244 29.700 -0.114 0.000 0.750 461 E HN 0.509 nan 8.360 nan 0.000 0.452 462 I N 1.037 121.513 120.570 -0.157 0.000 2.264 462 I HA -0.281 3.880 4.170 -0.015 0.000 0.248 462 I C 2.405 178.401 176.117 -0.202 0.000 1.111 462 I CA 0.819 62.029 61.300 -0.149 0.000 1.382 462 I CB -0.243 37.701 38.000 -0.093 0.000 1.060 462 I HN 0.064 nan 8.210 nan 0.000 0.418 463 L N 0.378 121.448 121.223 -0.254 0.000 2.046 463 L HA -0.234 4.097 4.340 -0.015 0.000 0.208 463 L C 2.449 179.217 176.870 -0.169 0.000 1.077 463 L CA 1.620 56.338 54.840 -0.204 0.000 0.747 463 L CB -0.614 41.402 42.059 -0.071 0.000 0.896 463 L HN 0.219 nan 8.230 nan 0.000 0.432 464 K N -0.064 120.154 120.400 -0.304 0.000 2.296 464 K HA -0.090 4.221 4.320 -0.015 0.000 0.200 464 K C 1.954 178.331 176.600 -0.371 0.000 1.048 464 K CA 0.832 56.782 56.287 -0.562 0.000 0.966 464 K CB 0.100 32.011 32.500 -0.983 0.000 0.754 464 K HN 0.304 nan 8.250 nan 0.000 0.466 465 K N -0.114 120.138 120.400 -0.246 0.000 2.308 465 K HA -0.003 4.308 4.320 -0.015 0.000 0.197 465 K C 1.860 178.401 176.600 -0.099 0.000 1.049 465 K CA 1.266 57.462 56.287 -0.152 0.000 0.991 465 K CB 0.580 33.001 32.500 -0.131 0.000 0.836 465 K HN 0.218 nan 8.250 nan 0.000 0.500 466 T N -1.139 113.348 114.554 -0.112 0.000 3.409 466 T HA 0.066 4.407 4.350 -0.015 0.000 0.188 466 T C 1.941 176.590 174.700 -0.085 0.000 0.929 466 T CA -0.023 62.024 62.100 -0.088 0.000 1.184 466 T CB -0.743 68.068 68.868 -0.095 0.000 1.570 466 T HN 0.116 nan 8.240 nan 0.000 0.367 467 I N -1.019 119.438 120.570 -0.189 0.000 2.394 467 I HA 0.249 4.410 4.170 -0.015 0.000 0.251 467 I C 1.361 177.404 176.117 -0.122 0.000 1.136 467 I CA 1.292 62.436 61.300 -0.260 0.000 1.425 467 I CB -0.545 37.153 38.000 -0.503 0.000 1.079 467 I HN 0.249 nan 8.210 nan 0.000 0.425 468 F N 0.834 120.854 119.950 0.116 0.000 2.735 468 F HA 0.341 4.859 4.527 -0.015 0.000 0.304 468 F C 1.984 177.875 175.800 0.151 0.000 1.119 468 F CA -0.643 57.497 58.000 0.233 0.000 1.280 468 F CB 0.165 39.316 39.000 0.252 0.000 0.994 468 F HN -0.089 nan 8.300 nan 0.000 0.520 469 K N 1.076 121.585 120.400 0.182 0.000 2.044 469 K HA -0.227 4.084 4.320 -0.015 0.000 0.210 469 K C 1.340 177.993 176.600 0.089 0.000 1.049 469 K CA 2.257 58.592 56.287 0.079 0.000 0.927 469 K CB -0.026 32.487 32.500 0.022 0.000 0.713 469 K HN 0.150 nan 8.250 nan 0.000 0.443 470 D N -0.151 120.283 120.400 0.056 0.000 2.123 470 D HA -0.162 4.469 4.640 -0.015 0.000 0.196 470 D C 1.810 178.020 176.300 -0.150 0.000 0.992 470 D CA 1.266 55.171 54.000 -0.159 0.000 0.833 470 D CB -0.295 40.319 40.800 -0.310 0.000 0.954 470 D HN 0.253 nan 8.370 nan 0.000 0.455 471 F N -0.226 119.795 119.950 0.118 0.000 2.146 471 F HA -0.137 4.380 4.527 -0.015 0.000 0.298 471 F C 2.351 178.292 175.800 0.236 0.000 1.096 471 F CA 0.517 58.666 58.000 0.250 0.000 1.275 471 F CB -0.685 38.537 39.000 0.370 0.000 1.008 471 F HN -0.037 nan 8.300 nan 0.000 0.480 472 Y N 1.411 121.669 120.300 -0.071 0.000 2.181 472 Y HA -0.224 4.317 4.550 -0.015 0.000 0.288 472 Y C 2.152 178.025 175.900 -0.044 0.000 1.146 472 Y CA 1.733 59.596 58.100 -0.395 0.000 1.164 472 Y CB -0.628 37.416 38.460 -0.692 0.000 0.982 472 Y HN 0.132 nan 8.280 nan 0.000 0.515 473 E N -0.357 119.799 120.200 -0.072 0.000 2.110 473 E HA -0.213 4.128 4.350 -0.015 0.000 0.193 473 E C 2.022 178.686 176.600 0.107 0.000 0.988 473 E CA 1.289 57.661 56.400 -0.046 0.000 0.804 473 E CB -0.304 29.407 29.700 0.018 0.000 0.745 473 E HN 0.442 nan 8.360 nan 0.000 0.458 474 L N 0.878 122.202 121.223 0.167 0.000 2.072 474 L HA -0.060 4.271 4.340 -0.015 0.000 0.205 474 L C 0.243 177.205 176.870 0.153 0.000 1.079 474 L CA 1.675 56.656 54.840 0.234 0.000 0.752 474 L CB 0.366 42.553 42.059 0.212 0.000 0.906 474 L HN -0.094 nan 8.230 nan 0.000 0.436 475 E N -0.336 119.949 120.200 0.142 0.000 3.386 475 E HA 0.178 4.519 4.350 -0.015 0.000 0.236 475 E C -2.001 174.556 176.600 -0.072 0.000 1.227 475 E CA -1.202 55.211 56.400 0.021 0.000 0.970 475 E CB 0.835 30.550 29.700 0.024 0.000 1.343 475 E HN 0.192 nan 8.360 nan 0.000 0.397 476 P HA -0.229 nan 4.420 nan 0.000 0.218 476 P C 1.215 178.594 177.300 0.131 0.000 1.149 476 P CA 1.295 64.280 63.100 -0.192 0.000 0.817 476 P CB -0.043 31.398 31.700 -0.430 0.000 0.785 477 H N 0.130 119.295 119.070 0.158 0.000 2.489 477 H HA 0.019 4.565 4.556 -0.015 0.000 0.293 477 H C 1.706 177.127 175.328 0.155 0.000 1.066 477 H CA 0.941 57.076 56.048 0.145 0.000 1.305 477 H CB -0.599 29.221 29.762 0.096 0.000 1.386 477 H HN 0.153 nan 8.280 nan 0.000 0.551 478 K N 0.243 120.521 120.400 -0.203 0.000 2.217 478 K HA 0.029 4.340 4.320 -0.015 0.000 0.202 478 K C -0.239 176.236 176.600 -0.208 0.000 1.051 478 K CA 0.094 56.259 56.287 -0.202 0.000 0.952 478 K CB 0.136 32.410 32.500 -0.377 0.000 0.736 478 K HN 0.056 nan 8.250 nan 0.000 0.453 479 F N 1.574 121.548 119.950 0.040 0.000 2.411 479 F HA 0.231 4.749 4.527 -0.015 0.000 0.355 479 F C 0.292 176.099 175.800 0.013 0.000 1.117 479 F CA -0.286 57.746 58.000 0.054 0.000 1.139 479 F CB 1.238 40.336 39.000 0.164 0.000 1.120 479 F HN -0.068 nan 8.300 nan 0.000 0.493 480 Q N 1.868 121.701 119.800 0.056 0.000 2.528 480 Q HA 0.354 4.685 4.340 -0.015 0.000 0.289 480 Q C -1.153 174.811 176.000 -0.060 0.000 1.091 480 Q CA -1.248 54.540 55.803 -0.024 0.000 0.797 480 Q CB 3.127 31.796 28.738 -0.115 0.000 1.466 480 Q HN 0.610 nan 8.270 nan 0.000 0.436 481 N N 0.733 119.380 118.700 -0.088 0.000 2.314 481 N HA 0.271 5.002 4.740 -0.015 0.000 0.304 481 N C -1.437 173.975 175.510 -0.163 0.000 1.073 481 N CA -0.387 52.605 53.050 -0.096 0.000 0.822 481 N CB 0.984 39.437 38.487 -0.056 0.000 1.280 481 N HN 0.278 nan 8.380 nan 0.000 0.489 482 K N 2.740 123.044 120.400 -0.160 0.000 2.675 482 K HA 0.184 4.495 4.320 -0.015 0.000 0.224 482 K C -0.956 175.650 176.600 0.011 0.000 1.003 482 K CA -0.500 55.669 56.287 -0.197 0.000 1.034 482 K CB 1.298 33.449 32.500 -0.581 0.000 1.218 482 K HN 0.533 nan 8.250 nan 0.000 0.507 483 T N 2.181 116.760 114.554 0.042 0.000 2.902 483 T HA 0.052 4.393 4.350 -0.015 0.000 0.301 483 T C 0.786 175.614 174.700 0.213 0.000 1.012 483 T CA 0.347 62.523 62.100 0.128 0.000 1.151 483 T CB 0.250 69.194 68.868 0.128 0.000 0.946 483 T HN 0.362 nan 8.240 nan 0.000 0.542 484 N N 0.659 119.506 118.700 0.246 0.000 2.267 484 N HA 0.400 5.131 4.740 -0.015 0.000 0.226 484 N C 0.493 176.191 175.510 0.313 0.000 1.314 484 N CA -0.126 53.101 53.050 0.296 0.000 0.887 484 N CB 0.385 38.983 38.487 0.186 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.676 108.315 108.800 0.318 0.000 2.645 485 G HA2 0.598 4.549 3.960 -0.015 0.000 0.292 485 G HA3 0.598 4.549 3.960 -0.015 0.000 0.292 485 G C -1.444 173.585 174.900 0.216 0.000 1.415 485 G CA -0.747 44.525 45.100 0.286 0.000 0.785 485 G HN 0.599 nan 8.290 nan 0.000 0.483 486 I N -2.393 118.290 120.570 0.188 0.000 2.828 486 I HA 0.742 4.902 4.170 -0.015 0.000 0.302 486 I C -0.196 176.074 176.117 0.254 0.000 1.101 486 I CA -0.951 60.452 61.300 0.173 0.000 1.031 486 I CB 2.440 40.434 38.000 -0.010 0.000 1.231 486 I HN 0.493 nan 8.210 nan 0.000 0.427 487 T N 4.356 119.112 114.554 0.338 0.000 2.779 487 T HA 0.334 4.675 4.350 -0.015 0.000 0.296 487 T C -1.400 173.416 174.700 0.192 0.000 0.938 487 T CA -1.517 60.709 62.100 0.210 0.000 1.119 487 T CB 0.698 69.635 68.868 0.115 0.000 0.891 487 T HN 0.631 nan 8.240 nan 0.000 0.526 488 P HA 0.042 nan 4.420 nan 0.000 0.233 488 P C 1.103 178.367 177.300 -0.060 0.000 1.167 488 P CA 0.341 63.474 63.100 0.054 0.000 0.770 488 P CB 0.350 32.064 31.700 0.023 0.000 0.837 489 R N 0.464 120.882 120.500 -0.137 0.000 2.070 489 R HA -0.004 4.327 4.340 -0.015 0.000 0.227 489 R C 2.682 178.857 176.300 -0.209 0.000 1.147 489 R CA 1.575 57.554 56.100 -0.203 0.000 0.924 489 R CB -1.268 28.916 30.300 -0.192 0.000 0.827 489 R HN 0.046 nan 8.270 nan 0.000 0.431 490 R N -0.800 119.514 120.500 -0.308 0.000 2.081 490 R HA -0.131 4.200 4.340 -0.015 0.000 0.235 490 R C 1.106 177.038 176.300 -0.612 0.000 1.131 490 R CA 1.739 57.487 56.100 -0.586 0.000 0.960 490 R CB -0.169 29.569 30.300 -0.936 0.000 0.856 490 R HN 0.310 nan 8.270 nan 0.000 0.436 491 W N -0.532 120.720 121.300 -0.082 0.000 3.353 491 W HA 0.169 4.819 4.660 -0.016 0.000 0.304 491 W C 0.979 177.462 176.519 -0.061 0.000 1.273 491 W CA -0.712 56.583 57.345 -0.083 0.000 1.773 491 W CB 0.454 29.868 29.460 -0.076 0.000 1.095 491 W HN 0.215 nan 8.180 nan 0.000 0.676 492 L N -2.216 119.057 121.223 0.083 0.000 2.681 492 L HA 0.200 4.531 4.340 -0.015 0.000 0.163 492 L C 1.769 178.649 176.870 0.016 0.000 1.188 492 L CA 0.779 55.662 54.840 0.072 0.000 0.944 492 L CB -0.840 41.288 42.059 0.116 0.000 1.835 492 L HN -0.253 nan 8.230 nan 0.000 0.510 493 V N 1.034 120.934 119.914 -0.024 0.000 2.295 493 V HA -0.268 3.843 4.120 -0.015 0.000 0.246 493 V C 2.447 178.508 176.094 -0.054 0.000 1.049 493 V CA 2.451 64.729 62.300 -0.037 0.000 1.024 493 V CB -0.636 31.138 31.823 -0.082 0.000 0.648 493 V HN 0.505 nan 8.190 nan 0.000 0.447 494 L N 0.451 121.611 121.223 -0.105 0.000 2.005 494 L HA -0.189 4.142 4.340 -0.015 0.000 0.207 494 L C 2.493 179.293 176.870 -0.115 0.000 1.072 494 L CA 2.433 57.194 54.840 -0.131 0.000 0.744 494 L CB -0.266 41.662 42.059 -0.218 0.000 0.895 494 L HN 0.655 nan 8.230 nan 0.000 0.433 495 C N -1.864 117.362 119.300 -0.123 0.000 2.563 495 C HA 0.207 4.658 4.460 -0.015 0.000 0.268 495 C C 1.194 176.163 174.990 -0.036 0.000 1.365 495 C CA -0.281 58.682 59.018 -0.091 0.000 1.754 495 C CB -0.949 26.735 27.740 -0.094 0.000 1.932 495 C HN 0.595 nan 8.230 nan 0.000 0.536 496 N N 1.174 119.864 118.700 -0.016 0.000 2.733 496 N HA 0.288 5.019 4.740 -0.015 0.000 0.271 496 N C -1.798 173.721 175.510 0.014 0.000 1.720 496 N CA -1.587 51.465 53.050 0.005 0.000 0.803 496 N CB 0.775 39.273 38.487 0.019 0.000 1.208 496 N HN 0.240 nan 8.380 nan 0.000 0.498 497 P HA -0.043 nan 4.420 nan 0.000 0.218 497 P C 1.404 178.719 177.300 0.025 0.000 1.149 497 P CA 0.915 64.024 63.100 0.014 0.000 0.817 497 P CB 0.227 31.928 31.700 0.002 0.000 0.785 498 G N 0.611 109.420 108.800 0.016 0.000 2.440 498 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.218 498 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.218 498 G C 1.529 176.440 174.900 0.018 0.000 1.154 498 G CA 0.703 45.811 45.100 0.014 0.000 0.767 498 G HN 0.251 nan 8.290 nan 0.000 0.552 499 L N 1.253 122.489 121.223 0.020 0.000 2.072 499 L HA 0.268 4.599 4.340 -0.015 0.000 0.205 499 L C 3.083 179.987 176.870 0.057 0.000 1.079 499 L CA 2.005 56.858 54.840 0.022 0.000 0.752 499 L CB -0.779 41.291 42.059 0.018 0.000 0.906 499 L HN 0.228 nan 8.230 nan 0.000 0.436 500 A N -0.703 122.171 122.820 0.090 0.000 1.917 500 A HA -0.282 4.029 4.320 -0.015 0.000 0.219 500 A C 2.251 179.936 177.584 0.168 0.000 1.182 500 A CA 1.959 54.102 52.037 0.176 0.000 0.633 500 A CB -0.708 18.382 19.000 0.150 0.000 0.819 500 A HN 0.558 nan 8.150 nan 0.000 0.448 501 E N 0.529 120.787 120.200 0.097 0.000 2.047 501 E HA -0.149 4.191 4.350 -0.015 0.000 0.191 501 E C 1.847 178.488 176.600 0.069 0.000 0.987 501 E CA 1.540 57.987 56.400 0.077 0.000 0.799 501 E CB -0.507 29.220 29.700 0.046 0.000 0.752 501 E HN 0.744 nan 8.360 nan 0.000 0.449 502 I N -1.704 118.903 120.570 0.062 0.000 2.454 502 I HA -0.129 4.032 4.170 -0.015 0.000 0.254 502 I C 2.071 178.260 176.117 0.119 0.000 1.156 502 I CA 1.079 62.430 61.300 0.086 0.000 1.433 502 I CB -0.307 37.735 38.000 0.069 0.000 1.082 502 I HN 0.027 nan 8.210 nan 0.000 0.432 503 I N 1.881 122.492 120.570 0.069 0.000 2.233 503 I HA -0.156 4.004 4.170 -0.015 0.000 0.243 503 I C 2.999 179.050 176.117 -0.111 0.000 1.093 503 I CA 1.253 62.504 61.300 -0.082 0.000 1.380 503 I CB -0.466 37.367 38.000 -0.278 0.000 1.067 503 I HN 0.288 nan 8.210 nan 0.000 0.413 504 A N 0.449 123.307 122.820 0.063 0.000 1.972 504 A HA -0.232 4.079 4.320 -0.015 0.000 0.219 504 A C 2.156 179.766 177.584 0.044 0.000 1.169 504 A CA 1.650 53.777 52.037 0.150 0.000 0.635 504 A CB -0.608 18.514 19.000 0.203 0.000 0.810 504 A HN 0.445 nan 8.150 nan 0.000 0.446 505 E N -0.809 119.398 120.200 0.012 0.000 2.160 505 E HA -0.199 4.142 4.350 -0.015 0.000 0.195 505 E C 2.205 178.766 176.600 -0.064 0.000 0.991 505 E CA 1.071 57.465 56.400 -0.010 0.000 0.810 505 E CB -0.028 29.674 29.700 0.003 0.000 0.742 505 E HN 0.408 nan 8.360 nan 0.000 0.466 506 R N 0.068 120.467 120.500 -0.169 0.000 2.087 506 R HA 0.085 4.416 4.340 -0.015 0.000 0.216 506 R C 2.310 178.507 176.300 -0.172 0.000 1.114 506 R CA 0.870 56.788 56.100 -0.303 0.000 1.002 506 R CB -0.377 29.404 30.300 -0.866 0.000 0.903 506 R HN 0.325 nan 8.270 nan 0.000 0.445 507 I N -2.957 117.523 120.570 -0.151 0.000 4.081 507 I HA 0.450 4.611 4.170 -0.015 0.000 0.333 507 I C 0.426 176.570 176.117 0.045 0.000 1.413 507 I CA 0.127 61.395 61.300 -0.053 0.000 1.110 507 I CB 0.736 38.678 38.000 -0.096 0.000 1.082 507 I HN 0.182 nan 8.210 nan 0.000 0.402 508 G N 1.942 110.781 108.800 0.065 0.000 2.725 508 G HA2 -0.234 3.717 3.960 -0.015 0.000 0.220 508 G HA3 -0.234 3.717 3.960 -0.015 0.000 0.220 508 G C 0.012 175.037 174.900 0.208 0.000 1.357 508 G CA 0.246 45.410 45.100 0.106 0.000 0.866 508 G HN 0.431 nan 8.290 nan 0.000 0.548 509 E N -0.518 119.757 120.200 0.126 0.000 2.452 509 E HA 0.053 4.394 4.350 -0.015 0.000 0.197 509 E C 1.964 178.518 176.600 -0.076 0.000 1.022 509 E CA 0.084 56.506 56.400 0.038 0.000 0.890 509 E CB 0.144 29.855 29.700 0.019 0.000 0.918 509 E HN 0.455 nan 8.360 nan 0.000 0.496 510 E N 0.470 120.691 120.200 0.036 0.000 2.333 510 E HA -0.172 4.169 4.350 -0.015 0.000 0.198 510 E C 1.637 178.231 176.600 -0.011 0.000 1.007 510 E CA 0.696 57.106 56.400 0.018 0.000 0.845 510 E CB 0.026 29.758 29.700 0.053 0.000 0.766 510 E HN 0.501 nan 8.360 nan 0.000 0.507 511 Y N -1.158 119.142 120.300 0.001 0.000 2.403 511 Y HA -0.047 4.495 4.550 -0.014 0.000 0.291 511 Y C 1.930 177.803 175.900 -0.045 0.000 1.143 511 Y CA 0.602 58.694 58.100 -0.014 0.000 1.257 511 Y CB -0.760 37.693 38.460 -0.011 0.000 0.984 511 Y HN -0.087 nan 8.280 nan 0.000 0.550 512 I N 0.935 121.047 120.570 -0.763 0.000 2.361 512 I HA -0.230 3.931 4.170 -0.015 0.000 0.251 512 I C 1.693 177.546 176.117 -0.441 0.000 1.133 512 I CA 1.781 62.664 61.300 -0.694 0.000 1.413 512 I CB -0.370 37.120 38.000 -0.850 0.000 1.073 512 I HN 0.460 nan 8.210 nan 0.000 0.424 513 S N -2.020 113.531 115.700 -0.248 0.000 2.663 513 S HA 0.186 4.647 4.470 -0.015 0.000 0.243 513 S C 0.142 174.724 174.600 -0.031 0.000 1.009 513 S CA -0.475 57.661 58.200 -0.108 0.000 0.988 513 S CB 0.290 63.502 63.200 0.019 0.000 0.896 513 S HN 0.282 nan 8.310 nan 0.000 0.502 514 D N 0.671 121.060 120.400 -0.018 0.000 3.118 514 D HA 0.235 4.866 4.640 -0.015 0.000 0.259 514 D C 0.353 176.692 176.300 0.066 0.000 1.292 514 D CA -0.366 53.649 54.000 0.025 0.000 0.784 514 D CB 0.338 41.158 40.800 0.033 0.000 1.413 514 D HN 0.095 nan 8.370 nan 0.000 0.583 515 L N 1.064 122.326 121.223 0.065 0.000 2.353 515 L HA -0.014 4.316 4.340 -0.015 0.000 0.220 515 L C 1.416 178.337 176.870 0.084 0.000 1.133 515 L CA 1.547 56.455 54.840 0.114 0.000 0.798 515 L CB -0.079 42.039 42.059 0.099 0.000 0.922 515 L HN 0.259 nan 8.230 nan 0.000 0.445 516 D N -0.752 119.674 120.400 0.044 0.000 2.265 516 D HA -0.212 4.419 4.640 -0.015 0.000 0.208 516 D C 1.933 178.252 176.300 0.032 0.000 0.977 516 D CA 0.802 54.814 54.000 0.020 0.000 0.871 516 D CB 0.055 40.854 40.800 -0.001 0.000 0.925 516 D HN 0.554 nan 8.370 nan 0.000 0.485 517 Q N -0.027 119.809 119.800 0.060 0.000 2.364 517 Q HA -0.055 4.276 4.340 -0.015 0.000 0.209 517 Q C 2.288 178.303 176.000 0.025 0.000 0.977 517 Q CA 0.273 56.112 55.803 0.059 0.000 0.885 517 Q CB 0.010 28.812 28.738 0.107 0.000 0.941 517 Q HN 0.392 nan 8.270 nan 0.000 0.464 518 L N 0.228 121.460 121.223 0.015 0.000 2.261 518 L HA -0.196 4.135 4.340 -0.015 0.000 0.216 518 L C 2.283 179.145 176.870 -0.013 0.000 1.114 518 L CA 0.886 55.700 54.840 -0.043 0.000 0.777 518 L CB -0.369 41.677 42.059 -0.021 0.000 0.910 518 L HN 0.220 nan 8.230 nan 0.000 0.440 519 R N 0.326 120.831 120.500 0.007 0.000 2.159 519 R HA -0.188 4.143 4.340 -0.015 0.000 0.237 519 R C 2.084 178.394 176.300 0.016 0.000 1.131 519 R CA 1.094 57.202 56.100 0.013 0.000 0.982 519 R CB -0.236 30.069 30.300 0.008 0.000 0.868 519 R HN 0.399 nan 8.270 nan 0.000 0.453 520 K N 0.613 121.022 120.400 0.014 0.000 2.281 520 K HA -0.100 4.211 4.320 -0.015 0.000 0.203 520 K C 1.865 178.521 176.600 0.093 0.000 1.046 520 K CA 0.837 57.147 56.287 0.038 0.000 0.938 520 K CB -0.067 32.456 32.500 0.038 0.000 0.737 520 K HN 0.226 nan 8.250 nan 0.000 0.458 521 L N 0.411 121.658 121.223 0.040 0.000 2.376 521 L HA -0.138 4.193 4.340 -0.015 0.000 0.219 521 L C 1.848 178.797 176.870 0.133 0.000 1.133 521 L CA 0.085 54.956 54.840 0.053 0.000 0.816 521 L CB -0.273 41.774 42.059 -0.020 0.000 0.933 521 L HN 0.131 nan 8.230 nan 0.000 0.449 522 L N 0.228 121.498 121.223 0.079 0.000 2.127 522 L HA -0.195 4.136 4.340 -0.015 0.000 0.211 522 L C 2.723 179.602 176.870 0.015 0.000 1.089 522 L CA 1.985 56.857 54.840 0.052 0.000 0.757 522 L CB -0.956 41.117 42.059 0.023 0.000 0.899 522 L HN 0.365 nan 8.230 nan 0.000 0.434 523 S N -2.695 112.980 115.700 -0.040 0.000 2.607 523 S HA -0.080 4.381 4.470 -0.015 0.000 0.224 523 S C 1.216 175.580 174.600 -0.393 0.000 0.969 523 S CA 0.274 58.347 58.200 -0.212 0.000 0.927 523 S CB -0.530 62.495 63.200 -0.291 0.000 0.772 523 S HN 0.483 nan 8.310 nan 0.000 0.533 524 Y N -0.605 119.640 120.300 -0.092 0.000 2.557 524 Y HA 0.431 4.979 4.550 -0.003 0.000 0.247 524 Y C 1.905 177.855 175.900 0.084 0.000 1.164 524 Y CA -0.508 57.539 58.100 -0.088 0.000 1.218 524 Y CB 0.273 38.487 38.460 -0.409 0.000 1.210 524 Y HN 0.254 nan 8.280 nan 0.000 0.529 525 V N 0.474 120.493 119.914 0.174 0.000 2.720 525 V HA -0.210 3.901 4.120 -0.015 0.000 0.256 525 V C 0.936 177.103 176.094 0.122 0.000 1.082 525 V CA 2.207 64.605 62.300 0.162 0.000 1.101 525 V CB -0.025 31.855 31.823 0.094 0.000 0.693 525 V HN 0.359 nan 8.190 nan 0.000 0.479 526 D N -0.760 119.691 120.400 0.085 0.000 2.395 526 D HA 0.108 4.739 4.640 -0.015 0.000 0.213 526 D C 0.384 176.730 176.300 0.077 0.000 1.110 526 D CA -0.013 54.024 54.000 0.061 0.000 0.835 526 D CB 0.137 40.950 40.800 0.021 0.000 0.965 526 D HN 0.444 nan 8.370 nan 0.000 0.505 527 D N 1.488 121.969 120.400 0.135 0.000 2.325 527 D HA -0.020 4.611 4.640 -0.015 0.000 0.251 527 D C 1.090 177.496 176.300 0.177 0.000 1.196 527 D CA 0.009 54.109 54.000 0.167 0.000 0.866 527 D CB 1.691 42.659 40.800 0.281 0.000 1.101 527 D HN -0.165 nan 8.370 nan 0.000 0.476 528 E N 3.180 123.449 120.200 0.115 0.000 2.106 528 E HA -0.125 4.216 4.350 -0.015 0.000 0.192 528 E C 1.749 178.404 176.600 0.092 0.000 0.984 528 E CA 1.300 57.751 56.400 0.086 0.000 0.806 528 E CB 0.036 29.768 29.700 0.055 0.000 0.750 528 E HN 0.584 nan 8.360 nan 0.000 0.458 529 A N -0.287 122.604 122.820 0.118 0.000 1.898 529 A HA -0.124 4.187 4.320 -0.015 0.000 0.216 529 A C 2.188 179.862 177.584 0.150 0.000 1.181 529 A CA 1.232 53.338 52.037 0.114 0.000 0.620 529 A CB -0.897 18.173 19.000 0.116 0.000 0.819 529 A HN 0.450 nan 8.150 nan 0.000 0.442 530 F N 0.406 120.379 119.950 0.039 0.000 2.113 530 F HA -0.138 4.380 4.527 -0.014 0.000 0.297 530 F C 2.039 177.849 175.800 0.017 0.000 1.103 530 F CA 1.586 59.596 58.000 0.016 0.000 1.248 530 F CB -0.119 38.904 39.000 0.038 0.000 0.999 530 F HN 0.159 nan 8.300 nan 0.000 0.475 531 I N 0.268 120.855 120.570 0.028 0.000 2.151 531 I HA -0.382 3.779 4.170 -0.015 0.000 0.243 531 I C 2.594 178.652 176.117 -0.097 0.000 1.080 531 I CA 1.784 63.048 61.300 -0.060 0.000 1.339 531 I CB -0.501 37.515 38.000 0.027 0.000 1.039 531 I HN 0.117 nan 8.210 nan 0.000 0.409 532 R N 0.765 121.237 120.500 -0.047 0.000 2.081 532 R HA -0.185 4.146 4.340 -0.015 0.000 0.235 532 R C 1.895 178.147 176.300 -0.079 0.000 1.131 532 R CA 1.840 57.913 56.100 -0.046 0.000 0.960 532 R CB -0.109 30.184 30.300 -0.012 0.000 0.856 532 R HN 0.287 nan 8.270 nan 0.000 0.436 533 D N -0.372 119.965 120.400 -0.105 0.000 2.117 533 D HA -0.116 4.515 4.640 -0.015 0.000 0.198 533 D C 1.907 178.086 176.300 -0.201 0.000 0.982 533 D CA 1.133 55.059 54.000 -0.123 0.000 0.828 533 D CB -0.113 40.639 40.800 -0.081 0.000 0.967 533 D HN 0.077 nan 8.370 nan 0.000 0.464 534 V N 1.393 121.092 119.914 -0.359 0.000 2.295 534 V HA -0.237 3.874 4.120 -0.015 0.000 0.246 534 V C 2.521 178.522 176.094 -0.155 0.000 1.049 534 V CA 1.879 63.979 62.300 -0.335 0.000 1.024 534 V CB -0.809 30.727 31.823 -0.478 0.000 0.648 534 V HN 0.184 nan 8.190 nan 0.000 0.447 535 A N -0.370 122.378 122.820 -0.119 0.000 1.933 535 A HA -0.262 4.049 4.320 -0.015 0.000 0.218 535 A C 2.344 179.891 177.584 -0.061 0.000 1.175 535 A CA 2.164 54.163 52.037 -0.063 0.000 0.628 535 A CB -0.479 18.488 19.000 -0.055 0.000 0.814 535 A HN 0.539 nan 8.150 nan 0.000 0.444 536 K N -0.312 120.049 120.400 -0.066 0.000 2.057 536 K HA -0.081 4.230 4.320 -0.015 0.000 0.207 536 K C 1.799 178.374 176.600 -0.042 0.000 1.049 536 K CA 1.523 57.780 56.287 -0.050 0.000 0.931 536 K CB -0.255 32.220 32.500 -0.042 0.000 0.714 536 K HN 0.210 nan 8.250 nan 0.000 0.440 537 V N 1.639 121.523 119.914 -0.051 0.000 2.343 537 V HA -0.242 3.869 4.120 -0.015 0.000 0.247 537 V C 2.367 178.447 176.094 -0.024 0.000 1.051 537 V CA 1.977 64.256 62.300 -0.035 0.000 1.036 537 V CB -0.434 31.363 31.823 -0.044 0.000 0.654 537 V HN 0.355 nan 8.190 nan 0.000 0.451 538 K N 0.351 120.734 120.400 -0.028 0.000 2.026 538 K HA -0.219 4.092 4.320 -0.015 0.000 0.208 538 K C 2.171 178.743 176.600 -0.047 0.000 1.048 538 K CA 1.763 58.038 56.287 -0.019 0.000 0.929 538 K CB -0.517 31.988 32.500 0.008 0.000 0.713 538 K HN 0.363 nan 8.250 nan 0.000 0.439 539 Q N 1.026 120.792 119.800 -0.056 0.000 2.096 539 Q HA -0.141 4.189 4.340 -0.015 0.000 0.204 539 Q C 1.724 177.701 176.000 -0.039 0.000 0.982 539 Q CA 2.106 57.867 55.803 -0.070 0.000 0.850 539 Q CB -0.116 28.586 28.738 -0.060 0.000 0.901 539 Q HN 0.501 nan 8.270 nan 0.000 0.422 540 E N -0.495 119.696 120.200 -0.016 0.000 2.085 540 E HA -0.186 4.155 4.350 -0.015 0.000 0.194 540 E C 1.779 178.399 176.600 0.035 0.000 0.994 540 E CA 1.088 57.493 56.400 0.009 0.000 0.801 540 E CB -0.132 29.573 29.700 0.007 0.000 0.743 540 E HN 0.409 nan 8.360 nan 0.000 0.453 541 N N 0.998 119.714 118.700 0.028 0.000 2.120 541 N HA -0.134 4.597 4.740 -0.015 0.000 0.188 541 N C 1.541 177.122 175.510 0.120 0.000 1.024 541 N CA 1.075 54.162 53.050 0.061 0.000 0.852 541 N CB -0.116 38.391 38.487 0.034 0.000 1.003 541 N HN 0.141 nan 8.380 nan 0.000 0.424 542 K N 0.544 120.971 120.400 0.044 0.000 2.057 542 K HA 0.017 4.328 4.320 -0.015 0.000 0.206 542 K C 2.111 178.821 176.600 0.184 0.000 1.050 542 K CA 0.627 56.937 56.287 0.038 0.000 0.935 542 K CB -0.146 32.097 32.500 -0.428 0.000 0.715 542 K HN 0.107 nan 8.250 nan 0.000 0.439 543 L N 1.189 122.471 121.223 0.099 0.000 2.017 543 L HA -0.195 4.136 4.340 -0.015 0.000 0.208 543 L C 2.626 179.590 176.870 0.157 0.000 1.073 543 L CA 1.315 56.225 54.840 0.116 0.000 0.745 543 L CB -0.316 41.781 42.059 0.064 0.000 0.894 543 L HN 0.162 nan 8.230 nan 0.000 0.432 544 K N -0.305 120.191 120.400 0.160 0.000 2.063 544 K HA -0.250 4.061 4.320 -0.015 0.000 0.208 544 K C 2.183 178.939 176.600 0.260 0.000 1.048 544 K CA 1.742 58.135 56.287 0.176 0.000 0.928 544 K CB -0.178 32.410 32.500 0.147 0.000 0.713 544 K HN 0.089 nan 8.250 nan 0.000 0.442 545 F N 1.042 121.094 119.950 0.170 0.000 2.206 545 F HA -0.024 4.494 4.527 -0.015 0.000 0.298 545 F C 1.966 177.923 175.800 0.261 0.000 1.090 545 F CA 1.131 59.261 58.000 0.218 0.000 1.323 545 F CB -0.363 38.770 39.000 0.221 0.000 1.028 545 F HN 0.068 nan 8.300 nan 0.000 0.492 546 A N 0.076 123.045 122.820 0.248 0.000 1.972 546 A HA -0.023 4.288 4.320 -0.015 0.000 0.219 546 A C 2.347 179.959 177.584 0.046 0.000 1.169 546 A CA 1.588 53.703 52.037 0.131 0.000 0.635 546 A CB -1.356 17.792 19.000 0.246 0.000 0.810 546 A HN 0.433 nan 8.150 nan 0.000 0.446 547 A N -1.830 121.042 122.820 0.086 0.000 1.970 547 A HA 0.024 4.335 4.320 -0.015 0.000 0.216 547 A C 2.047 179.659 177.584 0.048 0.000 1.170 547 A CA 1.281 53.359 52.037 0.068 0.000 0.645 547 A CB -0.662 18.393 19.000 0.092 0.000 0.816 547 A HN 0.700 nan 8.150 nan 0.000 0.447 548 Y N 0.494 120.750 120.300 -0.073 0.000 2.200 548 Y HA -0.125 4.416 4.550 -0.015 0.000 0.290 548 Y C 1.878 177.704 175.900 -0.123 0.000 1.137 548 Y CA 1.739 59.785 58.100 -0.090 0.000 1.163 548 Y CB -0.169 38.237 38.460 -0.090 0.000 0.988 548 Y HN 0.205 nan 8.280 nan 0.000 0.518 549 L N 0.005 121.085 121.223 -0.238 0.000 2.093 549 L HA -0.191 4.140 4.340 -0.015 0.000 0.208 549 L C 2.367 179.140 176.870 -0.163 0.000 1.085 549 L CA 1.606 56.297 54.840 -0.248 0.000 0.755 549 L CB -0.465 41.409 42.059 -0.308 0.000 0.904 549 L HN 0.322 nan 8.230 nan 0.000 0.435 550 E N -0.215 119.909 120.200 -0.128 0.000 2.046 550 E HA -0.181 4.160 4.350 -0.015 0.000 0.190 550 E C 2.348 178.881 176.600 -0.111 0.000 0.982 550 E CA 0.837 57.178 56.400 -0.099 0.000 0.800 550 E CB 0.024 29.719 29.700 -0.008 0.000 0.756 550 E HN 0.411 nan 8.360 nan 0.000 0.449 551 R N 0.680 121.105 120.500 -0.126 0.000 2.070 551 R HA -0.135 4.196 4.340 -0.015 0.000 0.233 551 R C 1.887 178.054 176.300 -0.221 0.000 1.137 551 R CA 1.298 57.317 56.100 -0.135 0.000 0.945 551 R CB -0.042 30.197 30.300 -0.103 0.000 0.845 551 R HN 0.000 nan 8.270 nan 0.000 0.430 552 E N -1.712 118.265 120.200 -0.371 0.000 2.472 552 E HA 0.019 4.360 4.350 -0.015 0.000 0.196 552 E C -0.003 176.156 176.600 -0.736 0.000 1.033 552 E CA 0.495 56.565 56.400 -0.550 0.000 0.886 552 E CB 0.591 29.839 29.700 -0.753 0.000 0.944 552 E HN 0.333 nan 8.360 nan 0.000 0.492 553 Y N -0.803 119.345 120.300 -0.254 0.000 2.729 553 Y HA 0.190 4.731 4.550 -0.015 0.000 0.266 553 Y C 0.039 175.837 175.900 -0.171 0.000 1.064 553 Y CA -0.542 57.450 58.100 -0.180 0.000 1.251 553 Y CB 0.931 39.287 38.460 -0.174 0.000 1.379 553 Y HN -0.250 nan 8.280 nan 0.000 0.569 554 K N 0.061 120.407 120.400 -0.089 0.000 3.020 554 K HA -0.150 4.161 4.320 -0.015 0.000 0.266 554 K C -0.253 176.140 176.600 -0.345 0.000 1.067 554 K CA 0.902 57.090 56.287 -0.166 0.000 0.780 554 K CB -2.588 29.853 32.500 -0.098 0.000 1.220 554 K HN 0.278 nan 8.250 nan 0.000 0.483 555 V N -1.903 117.834 119.914 -0.295 0.000 2.539 555 V HA 0.517 4.628 4.120 -0.015 0.000 0.292 555 V C 0.350 176.210 176.094 -0.390 0.000 1.045 555 V CA -0.807 61.283 62.300 -0.351 0.000 0.945 555 V CB 1.376 33.099 31.823 -0.167 0.000 0.993 555 V HN 0.269 nan 8.190 nan 0.000 0.464 556 H N 4.915 123.970 119.070 -0.026 0.000 2.476 556 H HA 0.780 5.327 4.556 -0.015 0.000 0.328 556 H C -0.051 175.262 175.328 -0.025 0.000 1.073 556 H CA -0.382 55.655 56.048 -0.018 0.000 1.229 556 H CB 1.548 31.306 29.762 -0.008 0.000 1.432 556 H HN 0.931 nan 8.280 nan 0.000 0.477 557 I N -0.436 120.195 120.570 0.102 0.000 2.730 557 I HA 0.442 4.603 4.170 -0.015 0.000 0.298 557 I C -0.545 175.649 176.117 0.127 0.000 1.089 557 I CA -1.344 59.999 61.300 0.072 0.000 1.041 557 I CB 2.182 40.183 38.000 0.002 0.000 1.235 557 I HN 0.358 nan 8.210 nan 0.000 0.423 558 N N 5.753 124.529 118.700 0.127 0.000 2.405 558 N HA 0.341 5.072 4.740 -0.015 0.000 0.260 558 N C -1.956 173.699 175.510 0.242 0.000 1.152 558 N CA -2.275 50.860 53.050 0.142 0.000 0.948 558 N CB 0.919 39.463 38.487 0.095 0.000 1.111 558 N HN 0.415 nan 8.380 nan 0.000 0.485 559 P HA 0.079 nan 4.420 nan 0.000 0.237 559 P C -0.066 177.229 177.300 -0.008 0.000 1.178 559 P CA 0.825 64.018 63.100 0.156 0.000 0.766 559 P CB 0.281 32.044 31.700 0.106 0.000 0.876 560 N N -1.000 117.726 118.700 0.043 0.000 2.412 560 N HA -0.011 4.720 4.740 -0.015 0.000 0.184 560 N C 0.408 175.957 175.510 0.065 0.000 1.101 560 N CA 0.001 53.065 53.050 0.023 0.000 0.881 560 N CB -0.051 38.457 38.487 0.034 0.000 0.969 560 N HN 0.128 nan 8.380 nan 0.000 0.459 561 S N 0.146 115.901 115.700 0.092 0.000 2.614 561 S HA 0.155 4.616 4.470 -0.015 0.000 0.265 561 S C 0.114 174.707 174.600 -0.013 0.000 1.303 561 S CA -0.891 57.352 58.200 0.071 0.000 1.000 561 S CB 0.938 64.204 63.200 0.109 0.000 0.935 561 S HN 0.199 nan 8.310 nan 0.000 0.551 562 L N 2.313 123.357 121.223 -0.299 0.000 2.418 562 L HA 0.319 4.650 4.340 -0.015 0.000 0.274 562 L C -0.777 176.070 176.870 -0.037 0.000 1.135 562 L CA -0.416 54.058 54.840 -0.609 0.000 0.870 562 L CB -0.293 41.136 42.059 -1.049 0.000 1.154 562 L HN 0.701 nan 8.230 nan 0.000 0.462 563 F N 4.293 124.114 119.950 -0.216 0.000 2.439 563 F HA 0.079 4.598 4.527 -0.014 0.000 0.356 563 F C 0.509 176.242 175.800 -0.111 0.000 1.161 563 F CA -0.746 57.194 58.000 -0.099 0.000 1.151 563 F CB 0.462 39.454 39.000 -0.014 0.000 1.222 563 F HN 0.517 nan 8.300 nan 0.000 0.558 564 D N 4.915 125.311 120.400 -0.007 0.000 2.412 564 D HA 0.222 4.853 4.640 -0.015 0.000 0.224 564 D C -1.108 175.128 176.300 -0.107 0.000 1.093 564 D CA -0.060 53.892 54.000 -0.079 0.000 0.850 564 D CB 1.462 42.200 40.800 -0.104 0.000 1.046 564 D HN 0.262 nan 8.370 nan 0.000 0.507 565 V N 3.674 123.507 119.914 -0.135 0.000 2.540 565 V HA 0.516 4.627 4.120 -0.015 0.000 0.302 565 V C -1.379 174.556 176.094 -0.265 0.000 1.035 565 V CA -0.627 61.575 62.300 -0.164 0.000 0.873 565 V CB 1.814 33.597 31.823 -0.066 0.000 0.992 565 V HN 0.545 nan 8.190 nan 0.000 0.428 566 Q N 5.012 124.673 119.800 -0.233 0.000 2.394 566 Q HA 0.639 4.970 4.340 -0.015 0.000 0.261 566 Q C -1.417 174.408 176.000 -0.291 0.000 1.023 566 Q CA -0.622 55.030 55.803 -0.253 0.000 0.720 566 Q CB 1.799 30.419 28.738 -0.197 0.000 1.241 566 Q HN 1.025 nan 8.270 nan 0.000 0.483 567 V N 1.630 121.355 119.914 -0.315 0.000 2.444 567 V HA 0.863 4.974 4.120 -0.015 0.000 0.294 567 V C -0.916 174.900 176.094 -0.464 0.000 1.022 567 V CA -0.543 61.386 62.300 -0.619 0.000 0.850 567 V CB 1.136 32.329 31.823 -1.049 0.000 0.992 567 V HN 0.814 nan 8.190 nan 0.000 0.426 568 K N 2.572 122.752 120.400 -0.367 0.000 3.040 568 K HA 0.435 4.746 4.320 -0.015 0.000 0.300 568 K C -1.207 175.389 176.600 -0.006 0.000 1.092 568 K CA -1.208 55.041 56.287 -0.064 0.000 0.831 568 K CB 0.844 33.293 32.500 -0.086 0.000 1.469 568 K HN 0.436 nan 8.250 nan 0.000 0.365 569 R N 0.922 121.465 120.500 0.072 0.000 2.698 569 R HA 0.134 4.465 4.340 -0.015 0.000 0.266 569 R C 0.330 176.645 176.300 0.025 0.000 1.026 569 R CA -0.277 55.877 56.100 0.091 0.000 1.102 569 R CB -0.154 30.227 30.300 0.135 0.000 0.978 569 R HN 0.480 nan 8.270 nan 0.000 0.436 570 I N 4.216 124.811 120.570 0.041 0.000 2.436 570 I HA 0.092 4.252 4.170 -0.015 0.000 0.289 570 I C 0.732 176.818 176.117 -0.053 0.000 1.083 570 I CA 0.520 61.796 61.300 -0.040 0.000 1.372 570 I CB -0.475 37.492 38.000 -0.056 0.000 1.408 570 I HN 0.329 nan 8.210 nan 0.000 0.516 571 H N 5.287 124.238 119.070 -0.198 0.000 2.974 571 H HA 0.230 4.777 4.556 -0.015 0.000 0.366 571 H C 0.494 175.680 175.328 -0.237 0.000 1.155 571 H CA -0.376 55.592 56.048 -0.132 0.000 1.186 571 H CB 1.910 31.614 29.762 -0.098 0.000 1.799 571 H HN 0.581 nan 8.280 nan 0.000 0.541 572 E N 2.122 122.345 120.200 0.038 0.000 2.130 572 E HA -0.269 4.072 4.350 -0.015 0.000 0.196 572 E C 1.370 177.776 176.600 -0.323 0.000 0.998 572 E CA 2.015 58.421 56.400 0.011 0.000 0.806 572 E CB -0.100 29.767 29.700 0.279 0.000 0.738 572 E HN 0.602 nan 8.360 nan 0.000 0.459 573 Y N 0.859 120.752 120.300 -0.677 0.000 2.352 573 Y HA -0.057 4.484 4.550 -0.015 0.000 0.292 573 Y C 1.531 177.169 175.900 -0.437 0.000 1.136 573 Y CA 0.951 58.370 58.100 -1.135 0.000 1.227 573 Y CB -0.151 37.639 38.460 -1.116 0.000 0.991 573 Y HN -0.202 nan 8.280 nan 0.000 0.545 574 K N 0.680 120.607 120.400 -0.787 0.000 2.432 574 K HA 0.060 4.371 4.320 -0.015 0.000 0.196 574 K C 0.148 176.578 176.600 -0.285 0.000 1.038 574 K CA 0.539 56.491 56.287 -0.559 0.000 0.986 574 K CB -0.047 32.103 32.500 -0.582 0.000 0.782 574 K HN 0.246 nan 8.250 nan 0.000 0.485 575 R N 0.433 120.795 120.500 -0.229 0.000 3.336 575 R HA -0.235 4.096 4.340 -0.015 0.000 0.260 575 R C 0.262 176.481 176.300 -0.134 0.000 1.032 575 R CA 0.214 56.231 56.100 -0.138 0.000 0.693 575 R CB -1.896 28.341 30.300 -0.104 0.000 1.134 575 R HN 0.308 nan 8.270 nan 0.000 0.433 576 Q N 0.320 120.039 119.800 -0.135 0.000 2.248 576 Q HA -0.089 4.242 4.340 -0.015 0.000 0.208 576 Q C 2.032 177.982 176.000 -0.084 0.000 0.984 576 Q CA 1.557 57.294 55.803 -0.109 0.000 0.875 576 Q CB -0.011 28.666 28.738 -0.102 0.000 0.910 576 Q HN 0.588 nan 8.270 nan 0.000 0.433 577 L N -0.635 120.543 121.223 -0.075 0.000 2.083 577 L HA -0.178 4.153 4.340 -0.015 0.000 0.209 577 L C 2.013 178.885 176.870 0.002 0.000 1.083 577 L CA 0.494 55.306 54.840 -0.047 0.000 0.752 577 L CB -0.337 41.706 42.059 -0.026 0.000 0.899 577 L HN 0.305 nan 8.230 nan 0.000 0.433 578 L N 0.021 121.235 121.223 -0.015 0.000 2.046 578 L HA -0.233 4.098 4.340 -0.015 0.000 0.208 578 L C 2.033 178.942 176.870 0.065 0.000 1.077 578 L CA 1.895 56.732 54.840 -0.006 0.000 0.747 578 L CB -0.831 41.115 42.059 -0.189 0.000 0.896 578 L HN 0.281 nan 8.230 nan 0.000 0.432 579 N N -1.598 117.108 118.700 0.010 0.000 2.069 579 N HA -0.252 4.479 4.740 -0.015 0.000 0.191 579 N C 1.970 177.562 175.510 0.136 0.000 1.031 579 N CA 1.782 54.922 53.050 0.151 0.000 0.852 579 N CB -0.168 38.339 38.487 0.033 0.000 1.018 579 N HN 0.499 nan 8.380 nan 0.000 0.423 580 C N 0.606 119.920 119.300 0.024 0.000 2.401 580 C HA -0.113 4.338 4.460 -0.015 0.000 0.276 580 C C 2.615 177.601 174.990 -0.007 0.000 1.233 580 C CA 0.466 59.455 59.018 -0.049 0.000 1.753 580 C CB -1.303 26.355 27.740 -0.135 0.000 2.029 580 C HN 0.507 nan 8.230 nan 0.000 0.478 581 L N -0.461 120.819 121.223 0.094 0.000 2.046 581 L HA -0.205 4.126 4.340 -0.015 0.000 0.208 581 L C 2.771 179.802 176.870 0.268 0.000 1.077 581 L CA 1.866 56.815 54.840 0.181 0.000 0.747 581 L CB -1.056 41.181 42.059 0.297 0.000 0.896 581 L HN 0.591 nan 8.230 nan 0.000 0.432 582 H N -0.081 119.106 119.070 0.195 0.000 2.353 582 H HA -0.137 4.410 4.556 -0.015 0.000 0.300 582 H C 2.244 177.570 175.328 -0.003 0.000 1.090 582 H CA 1.899 57.978 56.048 0.051 0.000 1.327 582 H CB 0.307 30.027 29.762 -0.070 0.000 1.383 582 H HN 0.092 nan 8.280 nan 0.000 0.508 583 V N 1.616 121.463 119.914 -0.113 0.000 2.287 583 V HA -0.288 3.823 4.120 -0.015 0.000 0.248 583 V C 2.843 178.875 176.094 -0.104 0.000 1.053 583 V CA 2.001 64.198 62.300 -0.171 0.000 1.027 583 V CB -0.528 31.237 31.823 -0.097 0.000 0.646 583 V HN 0.393 nan 8.190 nan 0.000 0.447 584 I N -0.254 120.293 120.570 -0.040 0.000 2.315 584 I HA -0.215 3.946 4.170 -0.015 0.000 0.248 584 I C 2.502 178.681 176.117 0.104 0.000 1.117 584 I CA 1.688 63.036 61.300 0.079 0.000 1.404 584 I CB -0.735 37.291 38.000 0.043 0.000 1.071 584 I HN 0.330 nan 8.210 nan 0.000 0.419 585 T N 1.329 115.901 114.554 0.029 0.000 2.684 585 T HA -0.165 4.176 4.350 -0.015 0.000 0.267 585 T C 1.881 176.539 174.700 -0.071 0.000 1.036 585 T CA 1.295 63.401 62.100 0.011 0.000 1.148 585 T CB -0.282 68.618 68.868 0.054 0.000 0.863 585 T HN 0.079 nan 8.240 nan 0.000 0.436 586 L N 0.058 121.167 121.223 -0.190 0.000 2.042 586 L HA -0.028 4.303 4.340 -0.015 0.000 0.210 586 L C 2.116 178.949 176.870 -0.061 0.000 1.076 586 L CA 1.572 56.298 54.840 -0.189 0.000 0.749 586 L CB -1.086 40.787 42.059 -0.311 0.000 0.893 586 L HN 0.366 nan 8.230 nan 0.000 0.432 587 Y N 0.240 120.481 120.300 -0.098 0.000 2.145 587 Y HA -0.283 4.257 4.550 -0.015 0.000 0.286 587 Y C 2.439 178.326 175.900 -0.021 0.000 1.145 587 Y CA 1.803 59.886 58.100 -0.029 0.000 1.148 587 Y CB -0.097 38.393 38.460 0.050 0.000 0.981 587 Y HN 0.271 nan 8.280 nan 0.000 0.507 588 N N 0.440 119.105 118.700 -0.058 0.000 2.166 588 N HA -0.140 4.591 4.740 -0.015 0.000 0.186 588 N C 1.835 177.241 175.510 -0.174 0.000 1.019 588 N CA 1.509 54.463 53.050 -0.159 0.000 0.856 588 N CB -0.350 38.105 38.487 -0.053 0.000 0.993 588 N HN 0.440 nan 8.380 nan 0.000 0.426 589 R N 0.429 120.852 120.500 -0.128 0.000 2.075 589 R HA 0.069 4.400 4.340 -0.015 0.000 0.232 589 R C 2.269 178.487 176.300 -0.137 0.000 1.126 589 R CA 0.804 56.834 56.100 -0.115 0.000 0.963 589 R CB -0.305 29.937 30.300 -0.096 0.000 0.858 589 R HN 0.227 nan 8.270 nan 0.000 0.435 590 I N 1.067 121.539 120.570 -0.164 0.000 2.163 590 I HA -0.304 3.857 4.170 -0.015 0.000 0.243 590 I C 2.195 178.198 176.117 -0.190 0.000 1.085 590 I CA 1.292 62.493 61.300 -0.164 0.000 1.347 590 I CB -0.240 37.667 38.000 -0.155 0.000 1.044 590 I HN 0.061 nan 8.210 nan 0.000 0.408 591 K N 0.820 121.043 120.400 -0.296 0.000 2.147 591 K HA -0.207 4.104 4.320 -0.015 0.000 0.205 591 K C 2.035 178.536 176.600 -0.165 0.000 1.049 591 K CA 1.224 57.346 56.287 -0.274 0.000 0.936 591 K CB -0.326 31.926 32.500 -0.414 0.000 0.722 591 K HN 0.340 nan 8.250 nan 0.000 0.446 592 K N 1.051 121.362 120.400 -0.148 0.000 2.103 592 K HA -0.078 4.233 4.320 -0.015 0.000 0.204 592 K C -0.025 176.529 176.600 -0.077 0.000 1.052 592 K CA 1.001 57.227 56.287 -0.101 0.000 0.945 592 K CB 0.349 32.794 32.500 -0.092 0.000 0.722 592 K HN 0.075 nan 8.250 nan 0.000 0.443 593 E N 0.128 120.281 120.200 -0.079 0.000 3.108 593 E HA 0.119 4.460 4.350 -0.015 0.000 0.228 593 E C -2.331 174.236 176.600 -0.056 0.000 1.176 593 E CA -1.583 54.784 56.400 -0.056 0.000 0.881 593 E CB 1.742 31.416 29.700 -0.044 0.000 1.354 593 E HN 0.115 nan 8.360 nan 0.000 0.400 594 P HA -0.113 nan 4.420 nan 0.000 0.218 594 P C 0.235 177.518 177.300 -0.027 0.000 1.149 594 P CA 1.130 64.200 63.100 -0.050 0.000 0.817 594 P CB 0.204 31.878 31.700 -0.043 0.000 0.785 595 N N -1.015 117.678 118.700 -0.013 0.000 2.313 595 N HA 0.015 4.746 4.740 -0.015 0.000 0.207 595 N C 0.521 176.047 175.510 0.027 0.000 1.141 595 N CA -0.100 52.955 53.050 0.008 0.000 0.830 595 N CB 0.076 38.567 38.487 0.007 0.000 1.008 595 N HN 0.020 nan 8.380 nan 0.000 0.481 596 K N 1.291 121.702 120.400 0.018 0.000 2.156 596 K HA 0.146 4.457 4.320 -0.015 0.000 0.271 596 K C -0.987 175.653 176.600 0.066 0.000 0.995 596 K CA -0.600 55.713 56.287 0.043 0.000 0.890 596 K CB 0.706 33.213 32.500 0.011 0.000 1.073 596 K HN -0.058 nan 8.250 nan 0.000 0.454 597 F N 4.881 124.819 119.950 -0.020 0.000 2.495 597 F HA 0.189 4.707 4.527 -0.015 0.000 0.365 597 F C -0.407 175.381 175.800 -0.021 0.000 1.090 597 F CA -0.093 57.897 58.000 -0.018 0.000 1.235 597 F CB 0.578 39.570 39.000 -0.013 0.000 1.119 597 F HN 0.194 nan 8.300 nan 0.000 0.562 598 V N 4.286 123.654 119.914 -0.910 0.000 2.876 598 V HA 0.545 4.656 4.120 -0.015 0.000 0.312 598 V C -0.661 174.785 176.094 -1.080 0.000 1.085 598 V CA -1.240 60.610 62.300 -0.749 0.000 0.945 598 V CB 1.045 32.650 31.823 -0.363 0.000 1.017 598 V HN 0.565 nan 8.190 nan 0.000 0.428 599 V N 4.633 124.187 119.914 -0.600 0.000 2.493 599 V HA 0.188 4.299 4.120 -0.015 0.000 0.292 599 V C -1.867 174.058 176.094 -0.280 0.000 1.016 599 V CA -0.471 61.629 62.300 -0.333 0.000 1.097 599 V CB 0.372 32.137 31.823 -0.096 0.000 0.947 599 V HN 0.893 nan 8.190 nan 0.000 0.479 600 P HA 0.310 nan 4.420 nan 0.000 0.268 600 P C -0.394 176.823 177.300 -0.138 0.000 1.204 600 P CA -0.019 62.995 63.100 -0.143 0.000 0.768 600 P CB 0.523 32.188 31.700 -0.057 0.000 0.842 601 R N 1.254 121.681 120.500 -0.120 0.000 2.686 601 R HA 0.545 4.876 4.340 -0.015 0.000 0.286 601 R C -0.710 175.549 176.300 -0.068 0.000 0.969 601 R CA -0.632 55.398 56.100 -0.116 0.000 0.898 601 R CB 1.912 32.129 30.300 -0.140 0.000 1.183 601 R HN 0.297 nan 8.270 nan 0.000 0.456 602 T N 2.163 116.689 114.554 -0.047 0.000 2.821 602 T HA 0.223 4.564 4.350 -0.015 0.000 0.307 602 T C -0.230 174.380 174.700 -0.149 0.000 1.034 602 T CA -0.467 61.564 62.100 -0.116 0.000 0.953 602 T CB 1.040 69.772 68.868 -0.228 0.000 0.968 602 T HN 0.140 nan 8.240 nan 0.000 0.462 603 V N 5.974 125.811 119.914 -0.129 0.000 2.385 603 V HA 0.384 4.494 4.120 -0.015 0.000 0.269 603 V C 0.120 176.133 176.094 -0.136 0.000 1.043 603 V CA -0.334 61.895 62.300 -0.118 0.000 0.906 603 V CB 0.520 32.291 31.823 -0.087 0.000 0.995 603 V HN 0.854 nan 8.190 nan 0.000 0.467 604 M N 6.706 126.214 119.600 -0.154 0.000 2.167 604 M HA 0.604 5.075 4.480 -0.015 0.000 0.333 604 M C -0.962 175.224 176.300 -0.189 0.000 1.030 604 M CA -0.153 55.045 55.300 -0.169 0.000 0.963 604 M CB 1.890 34.387 32.600 -0.172 0.000 1.589 604 M HN 0.422 nan 8.290 nan 0.000 0.431 605 I N 1.941 122.380 120.570 -0.218 0.000 2.498 605 I HA 0.825 4.986 4.170 -0.015 0.000 0.290 605 I C 0.110 175.887 176.117 -0.566 0.000 1.032 605 I CA -0.634 60.505 61.300 -0.268 0.000 1.073 605 I CB 2.280 40.212 38.000 -0.113 0.000 1.251 605 I HN 0.790 nan 8.210 nan 0.000 0.426 606 G N 2.945 111.381 108.800 -0.607 0.000 2.690 606 G HA2 0.832 4.783 3.960 -0.015 0.000 0.293 606 G HA3 0.832 4.783 3.960 -0.015 0.000 0.293 606 G C -1.029 173.576 174.900 -0.491 0.000 1.399 606 G CA -0.763 43.835 45.100 -0.836 0.000 0.890 606 G HN 0.989 nan 8.290 nan 0.000 0.485 607 G N -0.361 108.302 108.800 -0.228 0.000 2.352 607 G HA2 0.407 4.358 3.960 -0.015 0.000 0.303 607 G HA3 0.407 4.358 3.960 -0.015 0.000 0.303 607 G C -1.268 173.769 174.900 0.227 0.000 1.593 607 G CA -1.041 44.100 45.100 0.067 0.000 0.963 607 G HN 0.607 nan 8.290 nan 0.000 0.685 608 K N -0.077 120.452 120.400 0.215 0.000 2.118 608 K HA 0.743 5.053 4.320 -0.015 0.000 0.267 608 K C 0.292 177.038 176.600 0.243 0.000 0.991 608 K CA -0.168 56.267 56.287 0.247 0.000 0.916 608 K CB 1.998 34.546 32.500 0.079 0.000 1.041 608 K HN 0.860 nan 8.250 nan 0.000 0.455 609 A N 1.420 124.415 122.820 0.291 0.000 2.312 609 A HA 0.623 4.934 4.320 -0.015 0.000 0.326 609 A C -0.427 177.349 177.584 0.320 0.000 1.172 609 A CA -0.734 51.421 52.037 0.197 0.000 0.821 609 A CB 0.983 20.015 19.000 0.053 0.000 1.166 609 A HN 0.777 nan 8.150 nan 0.000 0.493 610 A N 3.522 126.518 122.820 0.293 0.000 2.520 610 A HA 0.462 4.773 4.320 -0.015 0.000 0.245 610 A C -1.417 176.253 177.584 0.143 0.000 1.072 610 A CA -0.791 51.413 52.037 0.279 0.000 0.761 610 A CB -0.367 18.788 19.000 0.259 0.000 1.004 610 A HN 0.594 nan 8.150 nan 0.000 0.499 611 P HA -0.124 nan 4.420 nan 0.000 0.218 611 P C 1.189 178.470 177.300 -0.031 0.000 1.146 611 P CA 1.926 64.960 63.100 -0.110 0.000 0.813 611 P CB 0.246 31.822 31.700 -0.208 0.000 0.778 612 G N -3.091 105.714 108.800 0.009 0.000 3.393 612 G HA2 -0.027 3.924 3.960 -0.015 0.000 0.255 612 G HA3 -0.027 3.924 3.960 -0.015 0.000 0.255 612 G C -0.410 174.515 174.900 0.041 0.000 1.097 612 G CA -0.082 45.022 45.100 0.006 0.000 0.780 612 G HN 0.294 nan 8.290 nan 0.000 0.540 613 Y N 1.672 121.921 120.300 -0.085 0.000 2.676 613 Y HA 0.214 4.755 4.550 -0.015 0.000 0.338 613 Y C 1.606 177.493 175.900 -0.022 0.000 1.057 613 Y CA -1.080 56.958 58.100 -0.103 0.000 1.314 613 Y CB 0.224 38.604 38.460 -0.132 0.000 1.164 613 Y HN 0.307 nan 8.280 nan 0.000 0.509 614 H N 4.311 123.502 119.070 0.202 0.000 2.319 614 H HA -0.212 4.335 4.556 -0.015 0.000 0.299 614 H C 1.791 177.165 175.328 0.076 0.000 1.092 614 H CA 2.345 58.457 56.048 0.105 0.000 1.302 614 H CB 0.369 30.177 29.762 0.077 0.000 1.373 614 H HN 0.737 nan 8.280 nan 0.000 0.497 615 M N 1.091 120.739 119.600 0.080 0.000 2.108 615 M HA -0.095 4.376 4.480 -0.015 0.000 0.261 615 M C 2.570 178.671 176.300 -0.331 0.000 1.066 615 M CA 1.895 57.150 55.300 -0.075 0.000 1.107 615 M CB -0.788 31.895 32.600 0.138 0.000 1.356 615 M HN 0.344 nan 8.290 nan 0.000 0.406 616 A N -0.420 121.967 122.820 -0.723 0.000 1.933 616 A HA -0.199 4.112 4.320 -0.015 0.000 0.218 616 A C 2.200 179.587 177.584 -0.328 0.000 1.175 616 A CA 1.908 53.517 52.037 -0.713 0.000 0.628 616 A CB -0.666 17.667 19.000 -1.112 0.000 0.814 616 A HN 0.592 nan 8.150 nan 0.000 0.444 617 K N -1.175 119.089 120.400 -0.227 0.000 2.148 617 K HA -0.042 4.269 4.320 -0.015 0.000 0.204 617 K C 1.915 178.480 176.600 -0.058 0.000 1.050 617 K CA 1.201 57.440 56.287 -0.080 0.000 0.942 617 K CB -0.207 32.300 32.500 0.012 0.000 0.724 617 K HN 0.346 nan 8.250 nan 0.000 0.446 618 M N 0.520 120.036 119.600 -0.141 0.000 2.175 618 M HA -0.071 4.400 4.480 -0.015 0.000 0.264 618 M C 2.100 178.344 176.300 -0.094 0.000 1.063 618 M CA 1.363 56.623 55.300 -0.067 0.000 1.119 618 M CB -0.591 31.950 32.600 -0.099 0.000 1.377 618 M HN 0.122 nan 8.290 nan 0.000 0.415 619 I N -0.161 120.314 120.570 -0.158 0.000 2.252 619 I HA -0.302 3.859 4.170 -0.015 0.000 0.245 619 I C 2.274 178.264 176.117 -0.211 0.000 1.102 619 I CA 1.061 62.253 61.300 -0.180 0.000 1.385 619 I CB -0.305 37.589 38.000 -0.177 0.000 1.064 619 I HN 0.166 nan 8.210 nan 0.000 0.414 620 I N 0.706 121.136 120.570 -0.233 0.000 2.163 620 I HA -0.323 3.838 4.170 -0.015 0.000 0.243 620 I C 2.606 178.445 176.117 -0.463 0.000 1.085 620 I CA 1.333 62.399 61.300 -0.389 0.000 1.347 620 I CB -0.343 37.399 38.000 -0.430 0.000 1.044 620 I HN 0.160 nan 8.210 nan 0.000 0.408 621 K N 1.498 121.640 120.400 -0.429 0.000 2.057 621 K HA -0.155 4.156 4.320 -0.015 0.000 0.207 621 K C 2.039 178.471 176.600 -0.280 0.000 1.049 621 K CA 1.500 57.452 56.287 -0.558 0.000 0.931 621 K CB -0.563 31.324 32.500 -1.022 0.000 0.714 621 K HN 0.239 nan 8.250 nan 0.000 0.440 622 L N 0.357 121.431 121.223 -0.248 0.000 2.017 622 L HA -0.175 4.155 4.340 -0.015 0.000 0.208 622 L C 2.190 178.813 176.870 -0.410 0.000 1.073 622 L CA 1.707 56.221 54.840 -0.544 0.000 0.745 622 L CB -0.293 41.360 42.059 -0.676 0.000 0.894 622 L HN 0.272 nan 8.230 nan 0.000 0.432 623 I N -0.203 120.185 120.570 -0.302 0.000 2.163 623 I HA -0.346 3.815 4.170 -0.015 0.000 0.243 623 I C 2.651 178.665 176.117 -0.172 0.000 1.085 623 I CA 1.985 63.165 61.300 -0.199 0.000 1.347 623 I CB -0.589 37.379 38.000 -0.054 0.000 1.044 623 I HN 0.429 nan 8.210 nan 0.000 0.408 624 T N -0.806 113.618 114.554 -0.217 0.000 2.821 624 T HA -0.092 4.249 4.350 -0.015 0.000 0.267 624 T C 1.984 176.615 174.700 -0.114 0.000 1.046 624 T CA 0.976 62.977 62.100 -0.166 0.000 1.139 624 T CB -0.505 68.217 68.868 -0.243 0.000 0.871 624 T HN 0.340 nan 8.240 nan 0.000 0.454 625 A N 1.490 124.239 122.820 -0.118 0.000 1.902 625 A HA 0.132 4.443 4.320 -0.015 0.000 0.217 625 A C 2.383 179.981 177.584 0.024 0.000 1.181 625 A CA 1.348 53.386 52.037 0.001 0.000 0.623 625 A CB -0.824 18.277 19.000 0.167 0.000 0.818 625 A HN 0.593 nan 8.150 nan 0.000 0.443 626 I N -0.295 120.188 120.570 -0.145 0.000 2.179 626 I HA -0.195 3.965 4.170 -0.015 0.000 0.242 626 I C 2.738 178.812 176.117 -0.071 0.000 1.088 626 I CA 1.143 62.342 61.300 -0.169 0.000 1.357 626 I CB -0.658 37.115 38.000 -0.378 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.490 109.241 108.800 -0.081 0.000 2.469 627 G HA2 -0.286 3.665 3.960 -0.015 0.000 0.219 627 G HA3 -0.286 3.665 3.960 -0.015 0.000 0.219 627 G C 1.276 176.166 174.900 -0.016 0.000 1.150 627 G CA 1.151 46.214 45.100 -0.061 0.000 0.763 627 G HN 0.286 nan 8.290 nan 0.000 0.561 628 D N 0.000 120.426 120.400 0.042 0.000 2.133 628 D HA -0.100 4.531 4.640 -0.015 0.000 0.195 628 D C 2.717 179.125 176.300 0.180 0.000 0.997 628 D CA 0.888 54.977 54.000 0.147 0.000 0.840 628 D CB -0.320 40.523 40.800 0.072 0.000 0.947 628 D HN 0.248 nan 8.370 nan 0.000 0.452 629 V N 0.169 120.117 119.914 0.057 0.000 2.346 629 V HA -0.136 3.975 4.120 -0.015 0.000 0.244 629 V C 2.579 178.625 176.094 -0.081 0.000 1.037 629 V CA 0.786 63.064 62.300 -0.037 0.000 1.029 629 V CB -0.197 31.556 31.823 -0.116 0.000 0.663 629 V HN 0.034 nan 8.190 nan 0.000 0.454 630 V N 0.775 120.592 119.914 -0.162 0.000 2.358 630 V HA -0.173 3.938 4.120 -0.015 0.000 0.246 630 V C 2.123 178.177 176.094 -0.065 0.000 1.047 630 V CA 1.878 64.076 62.300 -0.171 0.000 1.035 630 V CB -0.825 30.889 31.823 -0.182 0.000 0.658 630 V HN 0.555 nan 8.190 nan 0.000 0.452 631 N N -0.290 118.319 118.700 -0.152 0.000 2.512 631 N HA -0.086 4.645 4.740 -0.015 0.000 0.183 631 N C 1.192 176.439 175.510 -0.438 0.000 1.073 631 N CA 0.924 53.791 53.050 -0.304 0.000 0.911 631 N CB -0.242 37.991 38.487 -0.424 0.000 0.964 631 N HN 0.688 nan 8.380 nan 0.000 0.447 632 H N -1.665 117.413 119.070 0.013 0.000 2.923 632 H HA 0.201 4.748 4.556 -0.015 0.000 0.268 632 H C -0.497 174.850 175.328 0.032 0.000 1.148 632 H CA -0.505 55.553 56.048 0.017 0.000 1.146 632 H CB 0.702 30.463 29.762 -0.001 0.000 1.607 632 H HN -0.028 nan 8.280 nan 0.000 0.566 633 D N 1.828 122.307 120.400 0.132 0.000 2.325 633 D HA 0.034 4.665 4.640 -0.015 0.000 0.251 633 D C -1.620 174.740 176.300 0.100 0.000 1.196 633 D CA -1.972 52.116 54.000 0.146 0.000 0.866 633 D CB 1.665 42.626 40.800 0.268 0.000 1.101 633 D HN 0.120 nan 8.370 nan 0.000 0.476 634 P HA -0.092 nan 4.420 nan 0.000 0.221 634 P C 1.540 178.862 177.300 0.037 0.000 1.150 634 P CA 0.291 63.421 63.100 0.049 0.000 0.800 634 P CB 0.452 32.176 31.700 0.040 0.000 0.787 635 V N -0.590 119.346 119.914 0.037 0.000 2.515 635 V HA -0.163 3.948 4.120 -0.015 0.000 0.250 635 V C 2.439 178.538 176.094 0.009 0.000 1.058 635 V CA 1.457 63.766 62.300 0.014 0.000 1.064 635 V CB -1.002 30.819 31.823 -0.004 0.000 0.675 635 V HN -0.023 nan 8.190 nan 0.000 0.461 636 V N -0.102 119.834 119.914 0.037 0.000 2.307 636 V HA 0.058 4.169 4.120 -0.015 0.000 0.245 636 V C 1.809 177.912 176.094 0.015 0.000 1.045 636 V CA 1.739 64.061 62.300 0.036 0.000 1.024 636 V CB -1.315 30.577 31.823 0.114 0.000 0.651 636 V HN 0.747 nan 8.190 nan 0.000 0.449 637 G N 1.434 110.246 108.800 0.021 0.000 2.550 637 G HA2 -0.358 3.593 3.960 -0.015 0.000 0.277 637 G HA3 -0.358 3.593 3.960 -0.015 0.000 0.277 637 G C 0.315 175.217 174.900 0.003 0.000 1.190 637 G CA 0.399 45.506 45.100 0.011 0.000 0.971 637 G HN 0.658 nan 8.290 nan 0.000 0.559 638 D N 0.567 120.969 120.400 0.002 0.000 2.336 638 D HA 0.127 4.758 4.640 -0.015 0.000 0.228 638 D C 1.888 178.182 176.300 -0.010 0.000 1.120 638 D CA 0.249 54.250 54.000 0.002 0.000 0.839 638 D CB -0.102 40.708 40.800 0.015 0.000 0.932 638 D HN 0.602 nan 8.370 nan 0.000 0.509 639 R N -0.748 119.736 120.500 -0.027 0.000 2.127 639 R HA 0.201 4.532 4.340 -0.015 0.000 0.217 639 R C 0.032 176.291 176.300 -0.068 0.000 1.074 639 R CA 0.216 56.278 56.100 -0.064 0.000 0.991 639 R CB 0.315 30.561 30.300 -0.090 0.000 0.895 639 R HN 0.107 nan 8.270 nan 0.000 0.450 640 L N 0.768 121.967 121.223 -0.039 0.000 2.470 640 L HA 0.399 4.730 4.340 -0.015 0.000 0.268 640 L C -1.495 175.353 176.870 -0.038 0.000 0.964 640 L CA -0.499 54.317 54.840 -0.041 0.000 0.839 640 L CB 1.809 43.858 42.059 -0.017 0.000 1.276 640 L HN -0.170 nan 8.230 nan 0.000 0.403 641 R N 3.900 124.364 120.500 -0.059 0.000 2.628 641 R HA 0.762 5.093 4.340 -0.015 0.000 0.288 641 R C -1.649 174.597 176.300 -0.091 0.000 0.980 641 R CA -0.778 55.276 56.100 -0.075 0.000 0.891 641 R CB 2.401 32.657 30.300 -0.073 0.000 1.188 641 R HN 0.422 nan 8.270 nan 0.000 0.450 642 V N 4.998 124.856 119.914 -0.094 0.000 2.407 642 V HA 0.494 4.605 4.120 -0.015 0.000 0.291 642 V C -0.380 175.666 176.094 -0.079 0.000 1.018 642 V CA -0.709 61.536 62.300 -0.090 0.000 0.842 642 V CB 1.674 33.442 31.823 -0.091 0.000 0.996 642 V HN 0.542 nan 8.190 nan 0.000 0.426 643 I N 4.911 125.433 120.570 -0.080 0.000 2.498 643 I HA 0.431 4.592 4.170 -0.015 0.000 0.290 643 I C -0.680 175.417 176.117 -0.033 0.000 1.032 643 I CA -0.320 60.941 61.300 -0.065 0.000 1.073 643 I CB 1.950 39.884 38.000 -0.110 0.000 1.251 643 I HN 0.544 nan 8.210 nan 0.000 0.426 644 F N 7.068 126.947 119.950 -0.117 0.000 2.404 644 F HA 0.457 4.975 4.527 -0.015 0.000 0.358 644 F C -0.465 175.268 175.800 -0.111 0.000 1.120 644 F CA -0.630 57.305 58.000 -0.108 0.000 1.144 644 F CB 0.590 39.531 39.000 -0.098 0.000 1.133 644 F HN 0.172 nan 8.300 nan 0.000 0.495 645 L N 6.171 127.028 121.223 -0.611 0.000 2.407 645 L HA 0.143 4.474 4.340 -0.015 0.000 0.282 645 L C 0.322 176.950 176.870 -0.404 0.000 1.110 645 L CA 0.178 54.774 54.840 -0.407 0.000 0.863 645 L CB 0.048 41.940 42.059 -0.279 0.000 1.207 645 L HN 0.607 nan 8.230 nan 0.000 0.454 646 E N 3.346 123.464 120.200 -0.137 0.000 2.373 646 E HA -0.007 4.334 4.350 -0.015 0.000 0.267 646 E C 0.476 177.156 176.600 0.133 0.000 1.032 646 E CA -0.255 56.210 56.400 0.109 0.000 0.889 646 E CB 0.341 30.116 29.700 0.126 0.000 0.984 646 E HN 0.539 nan 8.360 nan 0.000 0.425 647 N N 2.467 121.295 118.700 0.213 0.000 2.738 647 N HA -0.279 4.451 4.740 -0.015 0.000 0.249 647 N C -1.537 174.069 175.510 0.160 0.000 1.047 647 N CA 0.539 53.703 53.050 0.191 0.000 0.707 647 N CB -1.645 36.968 38.487 0.210 0.000 0.937 647 N HN 0.488 nan 8.380 nan 0.000 0.545 648 Y N 1.564 121.875 120.300 0.017 0.000 2.721 648 Y HA 0.179 4.720 4.550 -0.015 0.000 0.329 648 Y C 1.130 177.048 175.900 0.030 0.000 1.211 648 Y CA 0.701 58.797 58.100 -0.008 0.000 1.512 648 Y CB 0.313 38.732 38.460 -0.067 0.000 1.249 648 Y HN 0.376 nan 8.280 nan 0.000 0.549 649 R N 2.460 122.608 120.500 -0.588 0.000 2.756 649 R HA 0.426 4.757 4.340 -0.015 0.000 0.273 649 R C -0.608 175.365 176.300 -0.545 0.000 1.030 649 R CA -0.580 55.280 56.100 -0.399 0.000 0.887 649 R CB 0.302 30.565 30.300 -0.062 0.000 1.274 649 R HN 0.361 nan 8.270 nan 0.000 0.461 650 V N 1.091 120.715 119.914 -0.483 0.000 2.287 650 V HA -0.287 3.824 4.120 -0.015 0.000 0.248 650 V C 2.602 178.568 176.094 -0.213 0.000 1.053 650 V CA 2.823 64.890 62.300 -0.389 0.000 1.027 650 V CB -0.798 30.749 31.823 -0.460 0.000 0.646 650 V HN 0.922 nan 8.190 nan 0.000 0.447 651 S N 0.006 115.607 115.700 -0.164 0.000 2.399 651 S HA -0.178 4.283 4.470 -0.015 0.000 0.231 651 S C 1.930 176.477 174.600 -0.089 0.000 1.022 651 S CA 1.667 59.799 58.200 -0.114 0.000 0.983 651 S CB -0.491 62.673 63.200 -0.061 0.000 0.803 651 S HN 0.388 nan 8.310 nan 0.000 0.480 652 L N 1.937 123.116 121.223 -0.074 0.000 2.109 652 L HA 0.348 4.679 4.340 -0.015 0.000 0.207 652 L C 2.701 179.585 176.870 0.023 0.000 1.086 652 L CA 1.378 56.218 54.840 -0.000 0.000 0.760 652 L CB -1.368 40.751 42.059 0.100 0.000 0.910 652 L HN 0.351 nan 8.230 nan 0.000 0.437 653 A N -0.608 122.205 122.820 -0.012 0.000 1.908 653 A HA -0.254 4.057 4.320 -0.015 0.000 0.218 653 A C 2.128 179.771 177.584 0.098 0.000 1.181 653 A CA 1.916 54.023 52.037 0.117 0.000 0.627 653 A CB -0.653 18.396 19.000 0.082 0.000 0.818 653 A HN 0.597 nan 8.150 nan 0.000 0.445 654 E N -0.526 119.712 120.200 0.064 0.000 2.265 654 E HA -0.168 4.173 4.350 -0.015 0.000 0.196 654 E C 1.884 178.447 176.600 -0.062 0.000 0.996 654 E CA 1.217 57.609 56.400 -0.013 0.000 0.832 654 E CB -0.049 29.550 29.700 -0.168 0.000 0.756 654 E HN 0.637 nan 8.360 nan 0.000 0.491 655 K N -0.069 120.276 120.400 -0.091 0.000 2.141 655 K HA 0.031 4.342 4.320 -0.015 0.000 0.202 655 K C 2.132 178.557 176.600 -0.291 0.000 1.045 655 K CA 0.409 56.627 56.287 -0.116 0.000 0.971 655 K CB 0.023 32.456 32.500 -0.111 0.000 0.795 655 K HN -0.054 nan 8.250 nan 0.000 0.459 656 V N 1.844 121.497 119.914 -0.435 0.000 2.488 656 V HA -0.124 3.987 4.120 -0.015 0.000 0.246 656 V C 1.880 177.734 176.094 -0.400 0.000 1.046 656 V CA 1.227 63.053 62.300 -0.791 0.000 1.053 656 V CB -0.156 31.301 31.823 -0.610 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.737 121.123 120.570 -0.307 0.000 2.179 657 I HA -0.135 4.026 4.170 -0.015 0.000 0.242 657 I C -0.219 175.778 176.117 -0.201 0.000 1.088 657 I CA 1.662 62.708 61.300 -0.422 0.000 1.357 657 I CB -1.560 36.038 38.000 -0.669 0.000 1.051 657 I HN 0.362 nan 8.210 nan 0.000 0.409 658 P HA -0.137 nan 4.420 nan 0.000 0.221 658 P C 1.022 178.316 177.300 -0.009 0.000 1.145 658 P CA 1.346 64.420 63.100 -0.044 0.000 0.795 658 P CB 0.009 31.692 31.700 -0.028 0.000 0.775 659 A N -1.112 121.689 122.820 -0.032 0.000 2.238 659 A HA 0.436 4.747 4.320 -0.015 0.000 0.210 659 A C 1.229 178.913 177.584 0.168 0.000 1.179 659 A CA 0.203 52.276 52.037 0.059 0.000 0.827 659 A CB -0.705 18.344 19.000 0.082 0.000 0.856 659 A HN 0.206 nan 8.150 nan 0.000 0.488 660 A N 0.071 122.992 122.820 0.168 0.000 2.388 660 A HA 0.444 4.755 4.320 -0.015 0.000 0.257 660 A C 0.374 178.106 177.584 0.247 0.000 1.095 660 A CA -0.102 52.098 52.037 0.272 0.000 0.791 660 A CB 0.300 19.553 19.000 0.421 0.000 1.029 660 A HN 0.291 nan 8.150 nan 0.000 0.489 661 D N 0.525 121.072 120.400 0.245 0.000 2.323 661 D HA 0.115 4.746 4.640 -0.015 0.000 0.218 661 D C 0.062 176.578 176.300 0.360 0.000 0.973 661 D CA 0.785 54.983 54.000 0.330 0.000 0.890 661 D CB 0.295 41.209 40.800 0.190 0.000 1.011 661 D HN 0.363 nan 8.370 nan 0.000 0.499 662 L N 1.012 122.328 121.223 0.156 0.000 2.381 662 L HA 0.285 4.616 4.340 -0.015 0.000 0.274 662 L C -0.915 175.836 176.870 -0.197 0.000 0.988 662 L CA -0.301 54.550 54.840 0.019 0.000 0.824 662 L CB 2.161 44.205 42.059 -0.025 0.000 1.263 662 L HN -0.194 nan 8.230 nan 0.000 0.410 663 S N 4.206 119.701 115.700 -0.341 0.000 2.429 663 S HA 0.338 4.799 4.470 -0.015 0.000 0.302 663 S C -0.409 173.914 174.600 -0.462 0.000 1.115 663 S CA -0.654 57.103 58.200 -0.739 0.000 1.095 663 S CB 0.663 63.380 63.200 -0.805 0.000 0.987 663 S HN 0.554 nan 8.310 nan 0.000 0.474 664 E N 4.133 124.070 120.200 -0.437 0.000 2.089 664 E HA 0.209 4.550 4.350 -0.015 0.000 0.284 664 E C -0.548 175.936 176.600 -0.194 0.000 1.023 664 E CA -0.400 55.868 56.400 -0.219 0.000 0.819 664 E CB 0.993 30.595 29.700 -0.164 0.000 1.076 664 E HN 0.603 nan 8.360 nan 0.000 0.396 665 Q N 2.842 122.586 119.800 -0.093 0.000 2.907 665 Q HA 0.277 4.607 4.340 -0.015 0.000 0.262 665 Q C 0.570 176.561 176.000 -0.014 0.000 0.997 665 Q CA -0.135 55.629 55.803 -0.066 0.000 0.797 665 Q CB 0.253 28.963 28.738 -0.046 0.000 1.228 665 Q HN 0.613 nan 8.270 nan 0.000 0.466 666 I N -1.750 118.797 120.570 -0.038 0.000 3.569 666 I HA 0.279 4.440 4.170 -0.015 0.000 0.334 666 I C 0.367 176.442 176.117 -0.070 0.000 1.570 666 I CA -0.699 60.596 61.300 -0.008 0.000 1.082 666 I CB 0.576 38.581 38.000 0.009 0.000 1.323 666 I HN 0.008 nan 8.210 nan 0.000 0.489 667 S N 0.368 116.025 115.700 -0.072 0.000 2.568 667 S HA 0.202 4.662 4.470 -0.015 0.000 0.282 667 S C 0.575 175.163 174.600 -0.020 0.000 1.338 667 S CA -0.247 57.931 58.200 -0.037 0.000 1.045 667 S CB 0.338 63.566 63.200 0.048 0.000 0.873 667 S HN 0.383 nan 8.310 nan 0.000 0.516 668 T N 2.832 117.407 114.554 0.035 0.000 2.908 668 T HA 0.364 4.705 4.350 -0.015 0.000 0.301 668 T C 0.768 175.483 174.700 0.025 0.000 1.019 668 T CA 0.265 62.394 62.100 0.048 0.000 1.152 668 T CB -0.060 68.909 68.868 0.169 0.000 0.966 668 T HN 1.023 nan 8.240 nan 0.000 0.540 669 A N 2.780 125.584 122.820 -0.027 0.000 2.580 669 A HA 0.445 4.756 4.320 -0.015 0.000 0.244 669 A C 1.636 179.215 177.584 -0.009 0.000 1.045 669 A CA 0.290 52.305 52.037 -0.036 0.000 0.761 669 A CB -0.906 18.060 19.000 -0.057 0.000 0.962 669 A HN 1.759 nan 8.150 nan 0.000 0.512 670 G N 1.441 110.234 108.800 -0.012 0.000 2.159 670 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.227 670 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.227 670 G C 0.780 175.667 174.900 -0.023 0.000 0.986 670 G CA 1.117 46.211 45.100 -0.011 0.000 0.651 670 G HN 1.992 nan 8.290 nan 0.000 0.523 671 T N -2.746 111.789 114.554 -0.032 0.000 3.026 671 T HA 0.414 4.755 4.350 -0.015 0.000 0.245 671 T C 0.711 175.234 174.700 -0.295 0.000 1.004 671 T CA 0.981 62.987 62.100 -0.156 0.000 1.069 671 T CB 0.581 69.406 68.868 -0.071 0.000 1.005 671 T HN 0.260 nan 8.240 nan 0.000 0.472 672 E N 1.647 121.816 120.200 -0.051 0.000 2.052 672 E HA 0.665 5.006 4.350 -0.015 0.000 0.283 672 E C 1.175 177.722 176.600 -0.088 0.000 1.071 672 E CA 0.076 56.490 56.400 0.024 0.000 0.851 672 E CB 0.780 30.556 29.700 0.126 0.000 1.066 672 E HN 0.357 nan 8.360 nan 0.000 0.396 673 A N 3.418 126.112 122.820 -0.210 0.000 1.903 673 A HA -0.230 4.081 4.320 -0.015 0.000 0.219 673 A C 2.001 179.454 177.584 -0.218 0.000 1.191 673 A CA 2.324 54.103 52.037 -0.431 0.000 0.638 673 A CB -0.293 18.236 19.000 -0.785 0.000 0.823 673 A HN 0.605 nan 8.150 nan 0.000 0.451 674 S N -3.858 111.775 115.700 -0.112 0.000 3.770 674 S HA 0.448 4.908 4.470 -0.015 0.000 0.238 674 S C 0.728 175.315 174.600 -0.023 0.000 1.143 674 S CA 1.435 59.614 58.200 -0.034 0.000 0.869 674 S CB -0.143 63.060 63.200 0.005 0.000 1.057 674 S HN 2.280 nan 8.310 nan 0.000 0.507 675 G N 0.462 109.253 108.800 -0.014 0.000 2.722 675 G HA2 -0.082 3.869 3.960 -0.015 0.000 0.686 675 G HA3 -0.082 3.869 3.960 -0.015 0.000 0.686 675 G C 0.257 175.135 174.900 -0.038 0.000 1.282 675 G CA 0.446 45.535 45.100 -0.019 0.000 0.817 675 G HN 1.289 nan 8.290 nan 0.000 0.605 676 T N -1.554 112.964 114.554 -0.061 0.000 3.010 676 T HA 0.380 4.721 4.350 -0.015 0.000 0.253 676 T C 2.421 177.019 174.700 -0.171 0.000 0.939 676 T CA 1.246 63.281 62.100 -0.108 0.000 0.910 676 T CB 0.237 69.032 68.868 -0.122 0.000 1.226 676 T HN 1.892 nan 8.240 nan 0.000 0.508 677 G N 3.278 112.004 108.800 -0.123 0.000 2.469 677 G HA2 -0.321 3.630 3.960 -0.015 0.000 0.219 677 G HA3 -0.321 3.630 3.960 -0.015 0.000 0.219 677 G C 1.470 176.428 174.900 0.096 0.000 1.150 677 G CA 1.312 46.371 45.100 -0.069 0.000 0.763 677 G HN 0.840 nan 8.290 nan 0.000 0.561 678 N N -0.048 118.683 118.700 0.050 0.000 2.060 678 N HA -0.131 4.600 4.740 -0.015 0.000 0.195 678 N C 1.453 176.966 175.510 0.004 0.000 1.028 678 N CA 0.767 53.843 53.050 0.043 0.000 0.861 678 N CB -0.364 38.105 38.487 -0.030 0.000 1.029 678 N HN 0.352 nan 8.380 nan 0.000 0.428 682 M N 0.296 119.976 119.600 0.134 0.000 2.117 682 M HA -0.142 4.329 4.480 -0.015 0.000 0.262 682 M C 1.990 178.339 176.300 0.081 0.000 1.065 682 M CA 1.789 57.139 55.300 0.083 0.000 1.114 682 M CB -0.056 32.582 32.600 0.063 0.000 1.361 682 M HN 0.319 nan 8.290 nan 0.000 0.408 683 L N 0.786 122.054 121.223 0.075 0.000 2.201 683 L HA -0.087 4.244 4.340 -0.015 0.000 0.212 683 L C 1.291 178.201 176.870 0.068 0.000 1.105 683 L CA 1.635 56.526 54.840 0.085 0.000 0.775 683 L CB -0.591 41.527 42.059 0.099 0.000 0.913 683 L HN 0.346 nan 8.230 nan 0.000 0.440 684 N N -0.320 118.411 118.700 0.051 0.000 2.238 684 N HA 0.180 4.911 4.740 -0.015 0.000 0.222 684 N C 0.822 176.365 175.510 0.055 0.000 1.133 684 N CA 0.773 53.847 53.050 0.040 0.000 0.854 684 N CB 0.590 39.078 38.487 0.000 0.000 1.041 684 N HN 0.391 nan 8.380 nan 0.000 0.510 685 G N 0.600 109.438 108.800 0.064 0.000 2.149 685 G HA2 -0.207 3.744 3.960 -0.015 0.000 0.235 685 G HA3 -0.207 3.744 3.960 -0.015 0.000 0.235 685 G C 0.013 174.980 174.900 0.112 0.000 1.018 685 G CA 0.157 45.296 45.100 0.064 0.000 0.728 685 G HN 0.518 nan 8.290 nan 0.000 0.508 686 A N -0.352 122.547 122.820 0.131 0.000 2.312 686 A HA 0.880 5.191 4.320 -0.015 0.000 0.328 686 A C 0.453 178.046 177.584 0.015 0.000 1.158 686 A CA -0.611 51.520 52.037 0.157 0.000 0.821 686 A CB 0.982 20.133 19.000 0.252 0.000 1.170 686 A HN 0.714 nan 8.150 nan 0.000 0.490 687 L N 0.721 121.912 121.223 -0.054 0.000 2.421 687 L HA 0.445 4.776 4.340 -0.015 0.000 0.263 687 L C 0.173 176.924 176.870 -0.198 0.000 1.122 687 L CA -0.345 54.372 54.840 -0.205 0.000 0.804 687 L CB 1.475 43.321 42.059 -0.356 0.000 1.150 687 L HN 0.685 nan 8.230 nan 0.000 0.457 688 T N 2.603 116.924 114.554 -0.389 0.000 2.779 688 T HA 0.440 4.781 4.350 -0.015 0.000 0.280 688 T C -0.373 174.141 174.700 -0.311 0.000 0.987 688 T CA -0.252 61.554 62.100 -0.490 0.000 0.966 688 T CB 1.411 69.757 68.868 -0.869 0.000 0.933 688 T HN 0.341 nan 8.240 nan 0.000 0.442 689 I N 3.164 123.667 120.570 -0.112 0.000 2.321 689 I HA 0.694 4.855 4.170 -0.015 0.000 0.291 689 I C 0.148 176.397 176.117 0.220 0.000 0.998 689 I CA 0.148 61.508 61.300 0.100 0.000 1.227 689 I CB 0.247 38.254 38.000 0.011 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 4.023 113.043 108.800 0.366 0.000 2.673 690 G HA2 0.440 4.391 3.960 -0.015 0.000 0.292 690 G HA3 0.440 4.391 3.960 -0.015 0.000 0.292 690 G C -0.864 173.990 174.900 -0.078 0.000 1.450 690 G CA -0.462 44.771 45.100 0.222 0.000 0.837 690 G HN 0.590 nan 8.290 nan 0.000 0.505 691 T N -1.003 113.356 114.554 -0.325 0.000 2.849 691 T HA 0.479 4.820 4.350 -0.015 0.000 0.284 691 T C 0.804 175.395 174.700 -0.182 0.000 1.004 691 T CA -0.650 61.185 62.100 -0.442 0.000 1.021 691 T CB 1.033 69.653 68.868 -0.414 0.000 1.013 691 T HN 0.265 nan 8.240 nan 0.000 0.527 692 M N 2.861 122.359 119.600 -0.170 0.000 3.436 692 M HA 0.317 4.788 4.480 -0.015 0.000 0.240 692 M C -0.425 175.819 176.300 -0.092 0.000 1.469 692 M CA -0.039 55.191 55.300 -0.116 0.000 1.622 692 M CB -1.721 30.818 32.600 -0.103 0.000 1.098 692 M HN 0.730 nan 8.290 nan 0.000 0.568 693 D N -0.021 120.332 120.400 -0.078 0.000 2.671 693 D HA 0.675 5.306 4.640 -0.015 0.000 0.232 693 D C 0.736 177.013 176.300 -0.038 0.000 1.114 693 D CA 0.711 54.680 54.000 -0.051 0.000 0.858 693 D CB 1.754 42.527 40.800 -0.046 0.000 1.544 693 D HN 0.597 nan 8.370 nan 0.000 0.471 694 G N 1.795 110.582 108.800 -0.022 0.000 2.652 694 G HA2 -0.262 3.689 3.960 -0.015 0.000 0.318 694 G HA3 -0.262 3.689 3.960 -0.015 0.000 0.318 694 G C 1.010 175.901 174.900 -0.015 0.000 1.295 694 G CA 1.150 46.242 45.100 -0.014 0.000 0.999 694 G HN 1.069 nan 8.290 nan 0.000 0.548 695 A N -0.229 122.577 122.820 -0.023 0.000 2.206 695 A HA 0.145 4.455 4.320 -0.015 0.000 0.211 695 A C 2.086 179.603 177.584 -0.112 0.000 1.158 695 A CA 1.681 53.698 52.037 -0.033 0.000 0.761 695 A CB -0.412 18.563 19.000 -0.042 0.000 0.801 695 A HN 0.606 nan 8.150 nan 0.000 0.473 696 N N 0.669 119.312 118.700 -0.095 0.000 2.094 696 N HA -0.163 4.568 4.740 -0.015 0.000 0.191 696 N C 1.625 176.977 175.510 -0.263 0.000 1.023 696 N CA 1.643 54.623 53.050 -0.118 0.000 0.857 696 N CB -0.679 37.799 38.487 -0.015 0.000 1.013 696 N HN 0.286 nan 8.380 nan 0.000 0.426 697 V N 1.348 121.163 119.914 -0.165 0.000 2.287 697 V HA -0.238 3.873 4.120 -0.015 0.000 0.248 697 V C 2.015 178.023 176.094 -0.143 0.000 1.053 697 V CA 1.789 63.993 62.300 -0.160 0.000 1.027 697 V CB -0.535 31.237 31.823 -0.084 0.000 0.646 697 V HN 0.364 nan 8.190 nan 0.000 0.447 698 E N -0.644 119.533 120.200 -0.039 0.000 2.152 698 E HA -0.136 4.205 4.350 -0.015 0.000 0.192 698 E C 2.218 178.932 176.600 0.190 0.000 0.983 698 E CA 1.070 57.530 56.400 0.101 0.000 0.818 698 E CB -0.197 29.650 29.700 0.245 0.000 0.758 698 E HN 0.549 nan 8.360 nan 0.000 0.467 699 M N 0.551 120.145 119.600 -0.010 0.000 2.086 699 M HA -0.164 4.307 4.480 -0.015 0.000 0.261 699 M C 2.524 178.673 176.300 -0.252 0.000 1.067 699 M CA 1.615 56.856 55.300 -0.098 0.000 1.116 699 M CB -0.255 32.189 32.600 -0.259 0.000 1.348 699 M HN 0.143 nan 8.290 nan 0.000 0.407 700 A N -0.075 122.297 122.820 -0.747 0.000 1.902 700 A HA -0.229 4.082 4.320 -0.015 0.000 0.217 700 A C 1.991 179.414 177.584 -0.268 0.000 1.181 700 A CA 2.028 53.602 52.037 -0.771 0.000 0.623 700 A CB -0.850 17.616 19.000 -0.891 0.000 0.818 700 A HN 0.592 nan 8.150 nan 0.000 0.443 701 E N -0.454 119.642 120.200 -0.174 0.000 2.077 701 E HA -0.224 4.117 4.350 -0.015 0.000 0.193 701 E C 1.823 178.408 176.600 -0.025 0.000 0.989 701 E CA 1.337 57.692 56.400 -0.076 0.000 0.800 701 E CB -0.058 29.613 29.700 -0.048 0.000 0.746 701 E HN 0.567 nan 8.360 nan 0.000 0.452 702 E N 0.066 120.282 120.200 0.026 0.000 2.046 702 E HA -0.125 4.216 4.350 -0.015 0.000 0.190 702 E C 1.907 178.540 176.600 0.054 0.000 0.982 702 E CA 1.128 57.562 56.400 0.057 0.000 0.800 702 E CB -0.236 29.552 29.700 0.145 0.000 0.756 702 E HN 0.363 nan 8.360 nan 0.000 0.449 703 A N 0.480 123.342 122.820 0.071 0.000 2.021 703 A HA 0.297 4.608 4.320 -0.015 0.000 0.216 703 A C 1.093 178.698 177.584 0.035 0.000 1.163 703 A CA 1.187 53.270 52.037 0.078 0.000 0.676 703 A CB -0.130 18.962 19.000 0.154 0.000 0.818 703 A HN 0.272 nan 8.150 nan 0.000 0.453 704 G N -0.735 108.066 108.800 0.001 0.000 3.055 704 G HA2 -0.096 3.855 3.960 -0.015 0.000 0.686 704 G HA3 -0.096 3.855 3.960 -0.015 0.000 0.686 704 G C -0.033 174.856 174.900 -0.018 0.000 1.087 704 G CA 0.006 45.096 45.100 -0.016 0.000 0.779 704 G HN 0.256 nan 8.290 nan 0.000 0.599 705 E N 0.905 121.081 120.200 -0.040 0.000 2.204 705 E HA -0.143 4.198 4.350 -0.015 0.000 0.195 705 E C 2.005 178.593 176.600 -0.021 0.000 0.990 705 E CA 1.660 58.041 56.400 -0.032 0.000 0.821 705 E CB 0.077 29.752 29.700 -0.042 0.000 0.750 705 E HN 0.760 nan 8.360 nan 0.000 0.477 706 E N 0.682 120.857 120.200 -0.042 0.000 2.338 706 E HA -0.091 4.250 4.350 -0.015 0.000 0.197 706 E C 0.899 177.415 176.600 -0.140 0.000 1.007 706 E CA 0.627 56.980 56.400 -0.078 0.000 0.849 706 E CB 0.004 29.670 29.700 -0.057 0.000 0.774 706 E HN 0.131 nan 8.360 nan 0.000 0.506 707 N N -0.410 118.235 118.700 -0.092 0.000 2.238 707 N HA 0.164 4.895 4.740 -0.015 0.000 0.222 707 N C -1.069 174.369 175.510 -0.120 0.000 1.133 707 N CA 0.014 52.984 53.050 -0.133 0.000 0.854 707 N CB 0.460 38.918 38.487 -0.048 0.000 1.041 707 N HN 0.049 nan 8.380 nan 0.000 0.510 708 F N -0.224 119.524 119.950 -0.337 0.000 2.578 708 F HA 0.396 4.913 4.527 -0.016 0.000 0.311 708 F C -0.949 174.652 175.800 -0.332 0.000 1.094 708 F CA -1.040 56.808 58.000 -0.254 0.000 0.923 708 F CB 1.310 40.240 39.000 -0.116 0.000 1.230 708 F HN -0.211 nan 8.300 nan 0.000 0.450 709 F N 6.141 126.063 119.950 -0.046 0.000 2.499 709 F HA 0.409 4.927 4.527 -0.015 0.000 0.353 709 F C -0.082 175.853 175.800 0.224 0.000 1.196 709 F CA -0.325 57.708 58.000 0.054 0.000 1.244 709 F CB -0.084 38.892 39.000 -0.039 0.000 1.577 709 F HN 0.092 nan 8.300 nan 0.000 0.614 710 I N 4.152 124.942 120.570 0.366 0.000 2.365 710 I HA 0.383 4.544 4.170 -0.015 0.000 0.291 710 I C -0.271 176.036 176.117 0.316 0.000 1.004 710 I CA -0.654 60.828 61.300 0.304 0.000 1.311 710 I CB 0.818 38.918 38.000 0.167 0.000 1.401 710 I HN 0.337 nan 8.210 nan 0.000 0.491 711 F N 3.705 123.731 119.950 0.127 0.000 2.662 711 F HA 0.932 5.450 4.527 -0.016 0.000 0.312 711 F C 0.014 175.861 175.800 0.077 0.000 1.113 711 F CA -0.597 57.464 58.000 0.102 0.000 0.951 711 F CB 1.075 40.149 39.000 0.123 0.000 1.344 711 F HN 0.778 nan 8.300 nan 0.000 0.462 712 G N 1.204 110.079 108.800 0.126 0.000 2.728 712 G HA2 -0.079 3.872 3.960 -0.015 0.000 0.294 712 G HA3 -0.079 3.872 3.960 -0.015 0.000 0.294 712 G C -0.910 173.969 174.900 -0.035 0.000 1.342 712 G CA -0.637 44.484 45.100 0.034 0.000 0.866 712 G HN 0.961 nan 8.290 nan 0.000 0.534 713 M N 0.983 120.572 119.600 -0.019 0.000 2.249 713 M HA 0.224 4.695 4.480 -0.015 0.000 0.340 713 M C 1.245 177.512 176.300 -0.054 0.000 1.166 713 M CA 0.034 55.327 55.300 -0.011 0.000 1.115 713 M CB 0.313 32.916 32.600 0.005 0.000 1.606 713 M HN 0.518 nan 8.290 nan 0.000 0.448 714 R N 1.829 122.310 120.500 -0.032 0.000 2.541 714 R HA 0.256 4.587 4.340 -0.015 0.000 0.263 714 R C 1.228 177.510 176.300 -0.029 0.000 1.112 714 R CA -0.538 55.538 56.100 -0.041 0.000 1.170 714 R CB -0.052 30.230 30.300 -0.030 0.000 1.167 714 R HN 0.569 nan 8.270 nan 0.000 0.582 715 V N 1.469 121.364 119.914 -0.031 0.000 2.324 715 V HA -0.280 3.831 4.120 -0.015 0.000 0.250 715 V C 1.938 178.023 176.094 -0.015 0.000 1.060 715 V CA 2.084 64.370 62.300 -0.024 0.000 1.042 715 V CB -0.497 31.310 31.823 -0.028 0.000 0.650 715 V HN 0.634 nan 8.190 nan 0.000 0.450 716 E N 0.108 120.300 120.200 -0.012 0.000 2.110 716 E HA -0.190 4.151 4.350 -0.015 0.000 0.193 716 E C 1.961 178.566 176.600 0.009 0.000 0.988 716 E CA 1.410 57.808 56.400 -0.003 0.000 0.804 716 E CB -0.338 29.360 29.700 -0.003 0.000 0.745 716 E HN 0.633 nan 8.360 nan 0.000 0.458 717 D N -0.263 120.144 120.400 0.012 0.000 2.144 717 D HA -0.093 4.538 4.640 -0.015 0.000 0.200 717 D C 1.974 178.294 176.300 0.033 0.000 0.978 717 D CA 0.800 54.818 54.000 0.030 0.000 0.833 717 D CB -0.065 40.757 40.800 0.036 0.000 0.961 717 D HN 0.071 nan 8.370 nan 0.000 0.470 718 V N 1.837 121.759 119.914 0.012 0.000 2.295 718 V HA -0.207 3.904 4.120 -0.015 0.000 0.246 718 V C 1.983 178.082 176.094 0.008 0.000 1.049 718 V CA 1.643 63.944 62.300 0.001 0.000 1.024 718 V CB -0.416 31.397 31.823 -0.017 0.000 0.648 718 V HN 0.019 nan 8.190 nan 0.000 0.447 719 D N 0.010 120.413 120.400 0.006 0.000 2.104 719 D HA -0.161 4.470 4.640 -0.015 0.000 0.194 719 D C 2.421 178.735 176.300 0.023 0.000 0.994 719 D CA 1.316 55.321 54.000 0.008 0.000 0.830 719 D CB -0.266 40.534 40.800 0.000 0.000 0.959 719 D HN 0.365 nan 8.370 nan 0.000 0.452 720 R N 0.081 120.600 120.500 0.031 0.000 2.091 720 R HA -0.041 4.290 4.340 -0.015 0.000 0.238 720 R C 2.517 178.856 176.300 0.064 0.000 1.136 720 R CA 0.549 56.675 56.100 0.043 0.000 0.959 720 R CB -0.384 29.945 30.300 0.047 0.000 0.856 720 R HN 0.207 nan 8.270 nan 0.000 0.437 721 L N 0.648 121.919 121.223 0.081 0.000 2.093 721 L HA -0.199 4.132 4.340 -0.015 0.000 0.208 721 L C 1.477 178.417 176.870 0.116 0.000 1.085 721 L CA 1.324 56.240 54.840 0.127 0.000 0.755 721 L CB -0.255 41.900 42.059 0.160 0.000 0.904 721 L HN 0.226 nan 8.230 nan 0.000 0.435 722 D N -0.530 119.913 120.400 0.072 0.000 2.144 722 D HA -0.203 4.428 4.640 -0.015 0.000 0.199 722 D C 2.214 178.546 176.300 0.053 0.000 0.984 722 D CA 1.071 55.104 54.000 0.056 0.000 0.834 722 D CB -0.025 40.788 40.800 0.021 0.000 0.955 722 D HN 0.430 nan 8.370 nan 0.000 0.465 723 Q N 0.059 119.886 119.800 0.045 0.000 2.084 723 Q HA -0.105 4.226 4.340 -0.015 0.000 0.202 723 Q C 2.253 178.280 176.000 0.045 0.000 0.978 723 Q CA 0.957 56.783 55.803 0.038 0.000 0.844 723 Q CB 0.009 28.766 28.738 0.031 0.000 0.898 723 Q HN 0.137 nan 8.270 nan 0.000 0.426 724 R N -0.309 120.226 120.500 0.058 0.000 2.119 724 R HA 0.011 4.342 4.340 -0.015 0.000 0.222 724 R C -0.081 176.259 176.300 0.066 0.000 1.088 724 R CA 0.822 56.958 56.100 0.059 0.000 0.984 724 R CB 0.212 30.554 30.300 0.070 0.000 0.884 724 R HN 0.293 nan 8.270 nan 0.000 0.447 725 G N -0.149 108.704 108.800 0.089 0.000 3.209 725 G HA2 -0.275 3.676 3.960 -0.015 0.000 0.686 725 G HA3 -0.275 3.676 3.960 -0.015 0.000 0.686 725 G C -1.335 173.659 174.900 0.156 0.000 1.065 725 G CA -0.365 44.797 45.100 0.103 0.000 0.812 725 G HN 0.281 nan 8.290 nan 0.000 0.573 726 Y N 3.548 123.881 120.300 0.056 0.000 2.436 726 Y HA 0.585 5.126 4.550 -0.015 0.000 0.343 726 Y C 0.220 176.174 175.900 0.090 0.000 1.008 726 Y CA -1.164 56.988 58.100 0.087 0.000 1.241 726 Y CB 1.028 39.523 38.460 0.058 0.000 1.153 726 Y HN 0.566 nan 8.280 nan 0.000 0.521 727 N N 5.034 123.525 118.700 -0.349 0.000 2.558 727 N HA 0.293 5.024 4.740 -0.015 0.000 0.242 727 N C 0.273 175.531 175.510 -0.420 0.000 0.979 727 N CA 0.355 53.206 53.050 -0.332 0.000 0.931 727 N CB 1.430 39.842 38.487 -0.125 0.000 1.122 727 N HN 0.863 nan 8.380 nan 0.000 0.508 728 A N 3.037 125.527 122.820 -0.549 0.000 1.969 728 A HA -0.181 4.130 4.320 -0.015 0.000 0.218 728 A C 1.877 179.588 177.584 0.212 0.000 1.169 728 A CA 1.331 53.264 52.037 -0.173 0.000 0.635 728 A CB -0.296 18.527 19.000 -0.295 0.000 0.810 728 A HN 0.701 nan 8.150 nan 0.000 0.445 729 Q N 0.294 120.112 119.800 0.030 0.000 2.135 729 Q HA -0.235 4.096 4.340 -0.015 0.000 0.204 729 Q C 1.891 177.966 176.000 0.125 0.000 0.981 729 Q CA 2.279 58.124 55.803 0.071 0.000 0.856 729 Q CB -0.357 28.375 28.738 -0.009 0.000 0.902 729 Q HN 0.772 nan 8.270 nan 0.000 0.425 730 E N -1.332 118.880 120.200 0.019 0.000 2.070 730 E HA -0.259 4.082 4.350 -0.015 0.000 0.197 730 E C 1.628 178.162 176.600 -0.110 0.000 1.004 730 E CA 1.641 57.981 56.400 -0.100 0.000 0.805 730 E CB -0.259 29.285 29.700 -0.261 0.000 0.744 730 E HN 0.592 nan 8.360 nan 0.000 0.451 731 Y N -1.041 119.319 120.300 0.101 0.000 2.163 731 Y HA -0.223 4.317 4.550 -0.015 0.000 0.288 731 Y C 2.283 178.173 175.900 -0.017 0.000 1.136 731 Y CA 1.592 59.739 58.100 0.078 0.000 1.147 731 Y CB -0.767 37.795 38.460 0.170 0.000 0.987 731 Y HN 0.238 nan 8.280 nan 0.000 0.509 732 Y N 1.375 121.694 120.300 0.032 0.000 2.151 732 Y HA -0.303 4.237 4.550 -0.015 0.000 0.284 732 Y C 1.823 177.685 175.900 -0.063 0.000 1.166 732 Y CA 1.941 59.984 58.100 -0.096 0.000 1.163 732 Y CB -0.394 38.066 38.460 -0.001 0.000 0.974 732 Y HN 0.103 nan 8.280 nan 0.000 0.511 733 D N -0.482 119.993 120.400 0.125 0.000 2.183 733 D HA -0.087 4.544 4.640 -0.015 0.000 0.203 733 D C 1.894 178.161 176.300 -0.055 0.000 0.969 733 D CA 1.198 55.218 54.000 0.034 0.000 0.842 733 D CB -0.083 40.761 40.800 0.073 0.000 0.957 733 D HN 0.486 nan 8.370 nan 0.000 0.484 734 R N -0.254 120.215 120.500 -0.050 0.000 2.308 734 R HA 0.279 4.610 4.340 -0.015 0.000 0.202 734 R C 0.395 176.671 176.300 -0.040 0.000 0.898 734 R CA 0.074 56.146 56.100 -0.046 0.000 1.046 734 R CB 1.127 31.399 30.300 -0.047 0.000 1.026 734 R HN 0.142 nan 8.270 nan 0.000 0.512 735 I N 2.585 123.115 120.570 -0.067 0.000 2.405 735 I HA 0.218 4.379 4.170 -0.015 0.000 0.280 735 I C -1.909 174.114 176.117 -0.156 0.000 1.027 735 I CA -2.332 58.932 61.300 -0.059 0.000 1.161 735 I CB 2.035 40.035 38.000 0.000 0.000 1.300 735 I HN -0.276 nan 8.210 nan 0.000 0.463 736 P HA -0.132 nan 4.420 nan 0.000 0.217 736 P C 1.178 178.388 177.300 -0.150 0.000 1.150 736 P CA 1.251 64.261 63.100 -0.150 0.000 0.832 736 P CB 0.321 31.966 31.700 -0.093 0.000 0.787 737 E N -0.908 119.240 120.200 -0.087 0.000 2.106 737 E HA -0.152 4.189 4.350 -0.015 0.000 0.192 737 E C 1.838 178.348 176.600 -0.151 0.000 0.984 737 E CA 0.662 57.028 56.400 -0.056 0.000 0.806 737 E CB -0.558 29.181 29.700 0.064 0.000 0.750 737 E HN 0.118 nan 8.360 nan 0.000 0.458 738 L N 1.184 122.227 121.223 -0.300 0.000 2.109 738 L HA -0.120 4.211 4.340 -0.015 0.000 0.207 738 L C 2.353 178.961 176.870 -0.437 0.000 1.086 738 L CA 1.568 56.065 54.840 -0.571 0.000 0.760 738 L CB -0.265 41.298 42.059 -0.827 0.000 0.910 738 L HN -0.091 nan 8.230 nan 0.000 0.437 739 R N -0.789 119.432 120.500 -0.466 0.000 2.083 739 R HA -0.252 4.079 4.340 -0.015 0.000 0.237 739 R C 2.406 178.548 176.300 -0.264 0.000 1.137 739 R CA 2.060 57.807 56.100 -0.587 0.000 0.951 739 R CB -0.385 29.492 30.300 -0.705 0.000 0.851 739 R HN 0.610 nan 8.270 nan 0.000 0.434 740 Q N 0.435 120.114 119.800 -0.202 0.000 2.061 740 Q HA -0.201 4.130 4.340 -0.015 0.000 0.204 740 Q C 2.078 178.032 176.000 -0.076 0.000 0.984 740 Q CA 2.142 57.870 55.803 -0.124 0.000 0.846 740 Q CB -0.143 28.522 28.738 -0.120 0.000 0.902 740 Q HN 0.486 nan 8.270 nan 0.000 0.421 741 I N 0.602 121.128 120.570 -0.074 0.000 2.179 741 I HA -0.299 3.862 4.170 -0.015 0.000 0.242 741 I C 2.173 178.326 176.117 0.059 0.000 1.088 741 I CA 0.733 62.032 61.300 -0.001 0.000 1.357 741 I CB -0.365 37.608 38.000 -0.045 0.000 1.051 741 I HN 0.310 nan 8.210 nan 0.000 0.409 742 I N 0.854 121.456 120.570 0.054 0.000 2.208 742 I HA -0.257 3.904 4.170 -0.015 0.000 0.245 742 I C 2.479 178.702 176.117 0.177 0.000 1.097 742 I CA 1.709 63.107 61.300 0.164 0.000 1.363 742 I CB -1.321 36.863 38.000 0.307 0.000 1.051 742 I HN 0.357 nan 8.210 nan 0.000 0.413 743 E N 0.263 120.546 120.200 0.139 0.000 2.106 743 E HA -0.229 4.112 4.350 -0.015 0.000 0.192 743 E C 2.187 178.851 176.600 0.107 0.000 0.984 743 E CA 0.893 57.364 56.400 0.118 0.000 0.806 743 E CB -0.110 29.629 29.700 0.066 0.000 0.750 743 E HN 0.575 nan 8.360 nan 0.000 0.458 744 Q N 0.483 120.330 119.800 0.080 0.000 2.050 744 Q HA -0.156 4.175 4.340 -0.015 0.000 0.202 744 Q C 2.375 178.564 176.000 0.313 0.000 0.980 744 Q CA 1.083 56.949 55.803 0.104 0.000 0.840 744 Q CB -0.084 28.649 28.738 -0.008 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.424 745 L N -0.030 121.391 121.223 0.331 0.000 2.017 745 L HA -0.210 4.121 4.340 -0.015 0.000 0.208 745 L C 2.470 179.535 176.870 0.324 0.000 1.073 745 L CA 1.130 56.187 54.840 0.362 0.000 0.745 745 L CB -0.414 41.774 42.059 0.215 0.000 0.894 745 L HN 0.147 nan 8.230 nan 0.000 0.432 746 S N -0.343 115.498 115.700 0.235 0.000 2.382 746 S HA -0.152 4.309 4.470 -0.015 0.000 0.228 746 S C 2.111 176.814 174.600 0.172 0.000 1.027 746 S CA 1.473 59.788 58.200 0.190 0.000 0.991 746 S CB -0.245 63.046 63.200 0.151 0.000 0.823 746 S HN 0.615 nan 8.310 nan 0.000 0.469 747 S N 0.517 116.321 115.700 0.173 0.000 2.489 747 S HA 0.292 4.753 4.470 -0.015 0.000 0.228 747 S C 1.488 176.179 174.600 0.152 0.000 0.995 747 S CA 0.733 59.020 58.200 0.144 0.000 0.934 747 S CB -0.189 63.090 63.200 0.130 0.000 0.771 747 S HN 0.844 nan 8.310 nan 0.000 0.522 748 G N 0.495 109.419 108.800 0.206 0.000 2.131 748 G HA2 -0.257 3.694 3.960 -0.015 0.000 0.201 748 G HA3 -0.257 3.694 3.960 -0.015 0.000 0.201 748 G C 0.152 175.149 174.900 0.162 0.000 1.000 748 G CA 0.080 45.289 45.100 0.182 0.000 0.680 748 G HN 0.490 nan 8.290 nan 0.000 0.514 749 F N 0.227 120.190 119.950 0.021 0.000 2.161 749 F HA 0.169 4.687 4.527 -0.015 0.000 0.300 749 F C 1.931 177.551 175.800 -0.300 0.000 1.089 749 F CA 2.032 59.923 58.000 -0.183 0.000 1.282 749 F CB -0.031 38.778 39.000 -0.319 0.000 1.010 749 F HN 0.183 nan 8.300 nan 0.000 0.485 750 F N -0.396 119.677 119.950 0.205 0.000 2.727 750 F HA 0.186 4.704 4.527 -0.015 0.000 0.302 750 F C 0.683 176.583 175.800 0.167 0.000 1.097 750 F CA 0.256 58.333 58.000 0.129 0.000 1.330 750 F CB -0.080 39.021 39.000 0.169 0.000 1.084 750 F HN -0.050 nan 8.300 nan 0.000 0.578 751 S N -1.654 114.191 115.700 0.242 0.000 2.386 751 S HA 0.327 4.788 4.470 -0.015 0.000 0.152 751 S C -2.478 172.136 174.600 0.022 0.000 1.511 751 S CA -1.062 57.196 58.200 0.097 0.000 1.246 751 S CB 1.000 64.195 63.200 -0.008 0.000 1.338 751 S HN -0.186 nan 8.310 nan 0.000 0.409 752 P HA -0.030 nan 4.420 nan 0.000 0.218 752 P C 1.017 178.306 177.300 -0.019 0.000 1.149 752 P CA 1.131 64.209 63.100 -0.037 0.000 0.817 752 P CB 0.120 31.773 31.700 -0.078 0.000 0.785 753 K N -1.123 119.266 120.400 -0.019 0.000 2.262 753 K HA 0.048 4.359 4.320 -0.015 0.000 0.200 753 K C 0.732 177.326 176.600 -0.009 0.000 1.049 753 K CA 0.706 56.985 56.287 -0.013 0.000 0.979 753 K CB 0.122 32.614 32.500 -0.012 0.000 0.773 753 K HN 0.253 nan 8.250 nan 0.000 0.474 754 Q N 0.255 120.044 119.800 -0.017 0.000 2.788 754 Q HA 0.164 4.495 4.340 -0.015 0.000 0.261 754 Q C -2.360 173.622 176.000 -0.029 0.000 1.029 754 Q CA -1.714 54.074 55.803 -0.026 0.000 0.848 754 Q CB 1.428 30.142 28.738 -0.040 0.000 1.185 754 Q HN -0.061 nan 8.270 nan 0.000 0.482 755 P HA -0.205 nan 4.420 nan 0.000 0.219 755 P C 0.578 177.906 177.300 0.046 0.000 1.146 755 P CA 1.372 64.493 63.100 0.035 0.000 0.808 755 P CB 0.211 31.936 31.700 0.040 0.000 0.779 756 D N -1.259 119.153 120.400 0.019 0.000 2.388 756 D HA 0.001 4.632 4.640 -0.015 0.000 0.221 756 D C 1.544 177.837 176.300 -0.011 0.000 1.133 756 D CA -0.284 53.736 54.000 0.034 0.000 0.831 756 D CB -0.644 40.180 40.800 0.040 0.000 0.962 756 D HN 0.017 nan 8.370 nan 0.000 0.502 757 L N -0.091 121.053 121.223 -0.131 0.000 2.043 757 L HA -0.049 4.282 4.340 -0.015 0.000 0.212 757 L C 1.160 177.833 176.870 -0.330 0.000 1.075 757 L CA 1.685 56.333 54.840 -0.319 0.000 0.752 757 L CB -0.579 41.094 42.059 -0.644 0.000 0.891 757 L HN -0.003 nan 8.230 nan 0.000 0.432 758 F N -0.640 119.370 119.950 0.100 0.000 2.668 758 F HA 0.136 4.655 4.527 -0.015 0.000 0.297 758 F C 1.843 177.700 175.800 0.095 0.000 1.124 758 F CA -0.148 57.902 58.000 0.083 0.000 1.353 758 F CB -0.327 38.710 39.000 0.062 0.000 0.992 758 F HN 0.104 nan 8.300 nan 0.000 0.524 759 K N -0.328 120.193 120.400 0.202 0.000 2.103 759 K HA -0.186 4.125 4.320 -0.015 0.000 0.207 759 K C 0.978 177.683 176.600 0.174 0.000 1.048 759 K CA 2.002 58.390 56.287 0.168 0.000 0.930 759 K CB -0.248 32.325 32.500 0.121 0.000 0.716 759 K HN 0.055 nan 8.250 nan 0.000 0.444 760 D N 1.203 121.719 120.400 0.193 0.000 2.144 760 D HA -0.077 4.554 4.640 -0.015 0.000 0.199 760 D C 2.019 178.433 176.300 0.190 0.000 0.984 760 D CA 1.100 55.222 54.000 0.204 0.000 0.834 760 D CB -0.112 40.849 40.800 0.268 0.000 0.955 760 D HN 0.304 nan 8.370 nan 0.000 0.465 761 I N 0.365 121.050 120.570 0.192 0.000 2.202 761 I HA -0.220 3.941 4.170 -0.015 0.000 0.242 761 I C 2.395 178.578 176.117 0.110 0.000 1.091 761 I CA 0.601 61.984 61.300 0.138 0.000 1.368 761 I CB -0.225 37.847 38.000 0.119 0.000 1.058 761 I HN -0.110 nan 8.210 nan 0.000 0.410 762 V N 1.162 121.157 119.914 0.134 0.000 2.287 762 V HA -0.319 3.792 4.120 -0.015 0.000 0.248 762 V C 2.227 178.353 176.094 0.054 0.000 1.053 762 V CA 2.469 64.833 62.300 0.106 0.000 1.027 762 V CB -1.016 30.886 31.823 0.132 0.000 0.646 762 V HN 0.477 nan 8.190 nan 0.000 0.447 763 N N -0.232 118.532 118.700 0.107 0.000 2.084 763 N HA -0.215 4.516 4.740 -0.015 0.000 0.190 763 N C 1.866 177.438 175.510 0.104 0.000 1.030 763 N CA 1.821 54.960 53.050 0.148 0.000 0.849 763 N CB -0.282 38.337 38.487 0.219 0.000 1.012 763 N HN 0.327 nan 8.380 nan 0.000 0.423 764 M N -0.134 119.547 119.600 0.134 0.000 2.080 764 M HA -0.125 4.346 4.480 -0.015 0.000 0.260 764 M C 1.459 177.747 176.300 -0.021 0.000 1.068 764 M CA 1.370 56.750 55.300 0.134 0.000 1.109 764 M CB -0.690 32.001 32.600 0.152 0.000 1.342 764 M HN 0.218 nan 8.290 nan 0.000 0.405 765 L N 0.643 121.808 121.223 -0.097 0.000 2.042 765 L HA -0.220 4.111 4.340 -0.015 0.000 0.210 765 L C 2.480 179.047 176.870 -0.505 0.000 1.076 765 L CA 1.697 56.343 54.840 -0.323 0.000 0.749 765 L CB -1.126 40.779 42.059 -0.256 0.000 0.893 765 L HN 0.354 nan 8.230 nan 0.000 0.432 766 M N -2.027 117.331 119.600 -0.402 0.000 2.288 766 M HA -0.071 4.400 4.480 -0.015 0.000 0.266 766 M C 1.838 177.695 176.300 -0.739 0.000 1.072 766 M CA 1.425 56.370 55.300 -0.591 0.000 1.132 766 M CB -0.745 31.398 32.600 -0.761 0.000 1.386 766 M HN 0.343 nan 8.290 nan 0.000 0.432 767 H N -2.314 116.577 119.070 -0.298 0.000 2.926 767 H HA 0.225 4.772 4.556 -0.015 0.000 0.249 767 H C 0.118 175.050 175.328 -0.660 0.000 0.963 767 H CA 0.538 56.264 56.048 -0.537 0.000 1.158 767 H CB 0.357 29.666 29.762 -0.756 0.000 1.445 767 H HN 0.493 nan 8.280 nan 0.000 0.452 768 H N 0.099 119.230 119.070 0.101 0.000 2.716 768 H HA 0.203 4.750 4.556 -0.015 0.000 0.230 768 H C -0.911 174.442 175.328 0.041 0.000 1.401 768 H CA -0.429 55.664 56.048 0.074 0.000 1.168 768 H CB 0.687 30.493 29.762 0.074 0.000 1.935 768 H HN -0.032 nan 8.280 nan 0.000 0.538 769 D N 1.138 121.592 120.400 0.091 0.000 2.411 769 D HA 0.125 4.756 4.640 -0.015 0.000 0.225 769 D C 0.950 177.202 176.300 -0.080 0.000 1.156 769 D CA -0.388 53.632 54.000 0.034 0.000 0.874 769 D CB 0.638 41.436 40.800 -0.003 0.000 1.034 769 D HN 0.340 nan 8.370 nan 0.000 0.502 770 R N 2.244 122.602 120.500 -0.238 0.000 2.237 770 R HA -0.046 4.285 4.340 -0.015 0.000 0.219 770 R C 0.585 176.418 176.300 -0.779 0.000 1.080 770 R CA 0.928 56.674 56.100 -0.590 0.000 0.995 770 R CB 0.089 29.823 30.300 -0.944 0.000 0.875 770 R HN 0.406 nan 8.270 nan 0.000 0.462 771 F N 0.205 120.114 119.950 -0.068 0.000 2.661 771 F HA 0.279 4.797 4.527 -0.015 0.000 0.306 771 F C 0.015 175.699 175.800 -0.194 0.000 1.094 771 F CA -0.702 57.249 58.000 -0.082 0.000 1.254 771 F CB 0.263 39.280 39.000 0.029 0.000 1.040 771 F HN -0.252 nan 8.300 nan 0.000 0.562 772 K N -0.312 119.906 120.400 -0.303 0.000 3.257 772 K HA -0.173 4.138 4.320 -0.015 0.000 0.270 772 K C 0.960 177.451 176.600 -0.181 0.000 0.984 772 K CA 0.204 56.132 56.287 -0.598 0.000 0.739 772 K CB -1.887 30.194 32.500 -0.699 0.000 1.351 772 K HN 0.203 nan 8.250 nan 0.000 0.463 773 V N -0.011 119.874 119.914 -0.049 0.000 2.282 773 V HA -0.294 3.816 4.120 -0.015 0.000 0.249 773 V C 1.960 178.203 176.094 0.249 0.000 1.057 773 V CA 2.348 64.699 62.300 0.086 0.000 1.032 773 V CB -0.507 31.369 31.823 0.087 0.000 0.645 773 V HN 0.498 nan 8.190 nan 0.000 0.447 774 F N 0.145 120.106 119.950 0.019 0.000 2.216 774 F HA -0.166 4.352 4.527 -0.015 0.000 0.300 774 F C 2.520 178.108 175.800 -0.352 0.000 1.085 774 F CA 0.624 58.576 58.000 -0.081 0.000 1.326 774 F CB -0.359 38.613 39.000 -0.047 0.000 1.027 774 F HN 0.200 nan 8.300 nan 0.000 0.497 775 A N -0.472 122.191 122.820 -0.262 0.000 2.019 775 A HA -0.188 4.123 4.320 -0.015 0.000 0.219 775 A C 1.455 179.029 177.584 -0.017 0.000 1.164 775 A CA 1.822 53.614 52.037 -0.408 0.000 0.644 775 A CB -0.442 18.482 19.000 -0.127 0.000 0.805 775 A HN 0.225 nan 8.150 nan 0.000 0.449 776 D N -2.779 117.676 120.400 0.092 0.000 2.369 776 D HA 0.085 4.716 4.640 -0.015 0.000 0.211 776 D C 1.169 177.628 176.300 0.264 0.000 1.077 776 D CA -0.019 54.112 54.000 0.220 0.000 0.842 776 D CB -0.125 40.829 40.800 0.258 0.000 0.947 776 D HN 0.592 nan 8.370 nan 0.000 0.509 777 Y N 2.100 122.475 120.300 0.126 0.000 2.097 777 Y HA -0.222 4.319 4.550 -0.015 0.000 0.282 777 Y C 2.092 178.071 175.900 0.131 0.000 1.152 777 Y CA 1.881 60.063 58.100 0.138 0.000 1.136 777 Y CB 0.181 38.692 38.460 0.085 0.000 0.975 777 Y HN -0.110 nan 8.280 nan 0.000 0.498 778 E N -0.006 120.253 120.200 0.099 0.000 2.038 778 E HA -0.246 4.095 4.350 -0.015 0.000 0.195 778 E C 2.185 178.751 176.600 -0.056 0.000 1.000 778 E CA 1.610 58.003 56.400 -0.013 0.000 0.803 778 E CB -0.185 29.608 29.700 0.156 0.000 0.750 778 E HN 0.636 nan 8.360 nan 0.000 0.448 779 E N -0.174 120.067 120.200 0.068 0.000 2.110 779 E HA -0.208 4.133 4.350 -0.015 0.000 0.193 779 E C 1.955 178.538 176.600 -0.027 0.000 0.988 779 E CA 0.828 57.289 56.400 0.103 0.000 0.804 779 E CB -0.163 29.694 29.700 0.261 0.000 0.745 779 E HN 0.263 nan 8.360 nan 0.000 0.458 780 Y N 1.378 121.471 120.300 -0.345 0.000 2.114 780 Y HA -0.246 4.295 4.550 -0.015 0.000 0.284 780 Y C 2.188 177.695 175.900 -0.655 0.000 1.143 780 Y CA 1.107 58.680 58.100 -0.879 0.000 1.135 780 Y CB -0.575 37.411 38.460 -0.789 0.000 0.980 780 Y HN -0.204 nan 8.280 nan 0.000 0.499 781 V N 0.364 119.920 119.914 -0.598 0.000 2.343 781 V HA -0.308 3.803 4.120 -0.015 0.000 0.247 781 V C 2.362 178.228 176.094 -0.379 0.000 1.051 781 V CA 2.317 64.286 62.300 -0.551 0.000 1.036 781 V CB -0.672 30.853 31.823 -0.497 0.000 0.654 781 V HN 0.218 nan 8.190 nan 0.000 0.451 782 K N -0.535 119.707 120.400 -0.263 0.000 2.032 782 K HA -0.197 4.114 4.320 -0.015 0.000 0.209 782 K C 2.266 178.777 176.600 -0.148 0.000 1.048 782 K CA 1.924 58.123 56.287 -0.147 0.000 0.927 782 K CB -0.961 31.501 32.500 -0.064 0.000 0.712 782 K HN 0.545 nan 8.250 nan 0.000 0.441 783 C N 0.788 119.973 119.300 -0.191 0.000 2.429 783 C HA -0.088 4.363 4.460 -0.015 0.000 0.277 783 C C 2.466 177.286 174.990 -0.285 0.000 1.262 783 C CA 0.744 59.681 59.018 -0.134 0.000 1.733 783 C CB -0.735 26.949 27.740 -0.094 0.000 2.010 783 C HN 0.476 nan 8.230 nan 0.000 0.483 784 Q N 0.444 119.926 119.800 -0.529 0.000 2.170 784 Q HA -0.177 4.154 4.340 -0.015 0.000 0.203 784 Q C 1.978 177.781 176.000 -0.327 0.000 0.976 784 Q CA 1.632 57.077 55.803 -0.596 0.000 0.858 784 Q CB -0.396 27.728 28.738 -1.023 0.000 0.907 784 Q HN 0.763 nan 8.270 nan 0.000 0.433 785 E N 0.183 120.253 120.200 -0.217 0.000 2.106 785 E HA -0.129 4.212 4.350 -0.015 0.000 0.192 785 E C 2.051 178.617 176.600 -0.057 0.000 0.984 785 E CA 0.542 56.878 56.400 -0.107 0.000 0.806 785 E CB -0.021 29.636 29.700 -0.073 0.000 0.750 785 E HN 0.273 nan 8.360 nan 0.000 0.458 786 R N 0.477 120.954 120.500 -0.039 0.000 2.115 786 R HA -0.068 4.263 4.340 -0.015 0.000 0.230 786 R C 2.382 178.730 176.300 0.079 0.000 1.111 786 R CA 0.740 56.893 56.100 0.088 0.000 0.976 786 R CB -0.239 30.181 30.300 0.201 0.000 0.870 786 R HN 0.060 nan 8.270 nan 0.000 0.445 787 V N 0.607 120.358 119.914 -0.272 0.000 2.261 787 V HA -0.239 3.872 4.120 -0.015 0.000 0.246 787 V C 2.184 178.272 176.094 -0.009 0.000 1.047 787 V CA 1.985 64.011 62.300 -0.455 0.000 1.015 787 V CB -0.382 31.031 31.823 -0.683 0.000 0.642 787 V HN 0.276 nan 8.190 nan 0.000 0.446 788 S N 0.198 115.858 115.700 -0.066 0.000 2.370 788 S HA -0.202 4.259 4.470 -0.015 0.000 0.226 788 S C 2.206 176.868 174.600 0.103 0.000 1.033 788 S CA 1.454 59.648 58.200 -0.009 0.000 1.011 788 S CB -0.542 62.624 63.200 -0.057 0.000 0.852 788 S HN 0.654 nan 8.310 nan 0.000 0.457 789 A N 1.429 124.314 122.820 0.109 0.000 1.877 789 A HA -0.023 4.288 4.320 -0.015 0.000 0.216 789 A C 2.110 179.815 177.584 0.201 0.000 1.186 789 A CA 1.161 53.282 52.037 0.141 0.000 0.620 789 A CB -0.749 18.324 19.000 0.122 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.443 790 L N -2.061 119.344 121.223 0.303 0.000 2.093 790 L HA -0.156 4.175 4.340 -0.015 0.000 0.208 790 L C 2.468 179.617 176.870 0.465 0.000 1.085 790 L CA 1.820 56.912 54.840 0.420 0.000 0.755 790 L CB -0.425 42.000 42.059 0.610 0.000 0.904 790 L HN 0.602 nan 8.230 nan 0.000 0.435 791 Y N 0.940 121.378 120.300 0.229 0.000 2.403 791 Y HA -0.252 4.290 4.550 -0.014 0.000 0.291 791 Y C 2.373 178.208 175.900 -0.107 0.000 1.143 791 Y CA 1.502 59.477 58.100 -0.207 0.000 1.257 791 Y CB -0.045 38.075 38.460 -0.566 0.000 0.984 791 Y HN 0.078 nan 8.280 nan 0.000 0.550 792 K N -0.155 120.295 120.400 0.083 0.000 2.362 792 K HA -0.130 4.181 4.320 -0.015 0.000 0.200 792 K C 0.384 176.975 176.600 -0.016 0.000 1.046 792 K CA 0.784 57.099 56.287 0.046 0.000 0.952 792 K CB -0.064 32.503 32.500 0.111 0.000 0.753 792 K HN 0.037 nan 8.250 nan 0.000 0.466 793 N N 0.411 119.119 118.700 0.014 0.000 2.898 793 N HA 0.138 4.869 4.740 -0.015 0.000 0.245 793 N C -2.448 173.070 175.510 0.015 0.000 1.185 793 N CA -2.190 50.872 53.050 0.020 0.000 0.879 793 N CB 1.180 39.710 38.487 0.072 0.000 1.157 793 N HN -0.181 nan 8.380 nan 0.000 0.503 794 P HA -0.138 nan 4.420 nan 0.000 0.216 794 P C 1.398 178.712 177.300 0.023 0.000 1.150 794 P CA 0.976 64.007 63.100 -0.115 0.000 0.837 794 P CB 0.434 32.031 31.700 -0.171 0.000 0.786 795 R N 0.169 120.680 120.500 0.019 0.000 2.073 795 R HA -0.149 4.182 4.340 -0.015 0.000 0.234 795 R C 1.907 178.248 176.300 0.069 0.000 1.134 795 R CA 1.422 57.544 56.100 0.036 0.000 0.952 795 R CB -0.359 29.954 30.300 0.021 0.000 0.850 795 R HN 0.074 nan 8.270 nan 0.000 0.433 796 E N -0.060 120.192 120.200 0.087 0.000 2.152 796 E HA -0.209 4.132 4.350 -0.015 0.000 0.192 796 E C 1.592 178.271 176.600 0.131 0.000 0.983 796 E CA 0.583 57.038 56.400 0.092 0.000 0.818 796 E CB -0.439 29.313 29.700 0.087 0.000 0.758 796 E HN 0.507 nan 8.360 nan 0.000 0.467 797 W N 2.246 123.547 121.300 0.001 0.000 2.333 797 W HA -0.208 4.442 4.660 -0.016 0.000 0.316 797 W C 1.654 178.181 176.519 0.012 0.000 1.215 797 W CA 2.246 59.606 57.345 0.025 0.000 1.278 797 W CB -0.464 28.984 29.460 -0.020 0.000 1.154 797 W HN 0.041 nan 8.180 nan 0.000 0.486 798 T N 1.146 115.841 114.554 0.236 0.000 2.788 798 T HA -0.184 4.157 4.350 -0.015 0.000 0.268 798 T C 1.866 176.574 174.700 0.013 0.000 1.044 798 T CA 1.758 63.923 62.100 0.109 0.000 1.139 798 T CB -0.358 68.556 68.868 0.078 0.000 0.867 798 T HN 0.178 nan 8.240 nan 0.000 0.454 799 R N 0.423 120.938 120.500 0.025 0.000 2.081 799 R HA 0.047 4.378 4.340 -0.015 0.000 0.235 799 R C 2.531 178.821 176.300 -0.018 0.000 1.131 799 R CA 1.347 57.460 56.100 0.020 0.000 0.960 799 R CB -0.363 29.956 30.300 0.031 0.000 0.856 799 R HN 0.369 nan 8.270 nan 0.000 0.436 800 M N 0.473 120.028 119.600 -0.075 0.000 2.175 800 M HA -0.141 4.330 4.480 -0.015 0.000 0.264 800 M C 1.955 178.163 176.300 -0.153 0.000 1.063 800 M CA 1.362 56.580 55.300 -0.136 0.000 1.119 800 M CB 0.172 32.636 32.600 -0.227 0.000 1.377 800 M HN -0.012 nan 8.290 nan 0.000 0.415 801 V N 0.939 120.740 119.914 -0.189 0.000 2.287 801 V HA -0.318 3.793 4.120 -0.015 0.000 0.248 801 V C 2.204 178.276 176.094 -0.037 0.000 1.053 801 V CA 2.073 64.293 62.300 -0.133 0.000 1.027 801 V CB -0.634 31.130 31.823 -0.097 0.000 0.646 801 V HN 0.508 nan 8.190 nan 0.000 0.447 802 I N -0.496 120.072 120.570 -0.003 0.000 2.264 802 I HA -0.270 3.890 4.170 -0.015 0.000 0.248 802 I C 2.683 178.847 176.117 0.079 0.000 1.111 802 I CA 1.605 62.951 61.300 0.077 0.000 1.382 802 I CB -0.437 37.659 38.000 0.160 0.000 1.060 802 I HN 0.224 nan 8.210 nan 0.000 0.418 803 R N 0.425 120.949 120.500 0.039 0.000 2.120 803 R HA -0.110 4.221 4.340 -0.015 0.000 0.234 803 R C 2.024 178.350 176.300 0.044 0.000 1.123 803 R CA 1.174 57.296 56.100 0.036 0.000 0.975 803 R CB -0.439 29.867 30.300 0.009 0.000 0.866 803 R HN 0.538 nan 8.270 nan 0.000 0.446 804 N N 0.711 119.429 118.700 0.030 0.000 2.109 804 N HA -0.076 4.655 4.740 -0.015 0.000 0.188 804 N C 1.982 177.542 175.510 0.083 0.000 1.034 804 N CA 1.110 54.196 53.050 0.060 0.000 0.846 804 N CB -0.044 38.454 38.487 0.018 0.000 1.010 804 N HN 0.109 nan 8.380 nan 0.000 0.425 805 I N 1.724 122.334 120.570 0.066 0.000 2.194 805 I HA -0.261 3.900 4.170 -0.015 0.000 0.246 805 I C 2.487 178.651 176.117 0.077 0.000 1.093 805 I CA 1.004 62.349 61.300 0.075 0.000 1.355 805 I CB -0.368 37.670 38.000 0.063 0.000 1.046 805 I HN 0.102 nan 8.210 nan 0.000 0.413 806 A N 0.367 123.233 122.820 0.077 0.000 2.019 806 A HA -0.177 4.133 4.320 -0.015 0.000 0.219 806 A C 2.117 179.736 177.584 0.060 0.000 1.164 806 A CA 2.146 54.220 52.037 0.062 0.000 0.644 806 A CB -0.883 18.159 19.000 0.069 0.000 0.805 806 A HN 0.548 nan 8.150 nan 0.000 0.449 807 T N -2.923 111.680 114.554 0.083 0.000 3.174 807 T HA 0.190 4.531 4.350 -0.015 0.000 0.269 807 T C 1.197 175.987 174.700 0.151 0.000 1.017 807 T CA 0.652 62.806 62.100 0.090 0.000 0.899 807 T CB -0.143 68.779 68.868 0.089 0.000 1.077 807 T HN 0.494 nan 8.240 nan 0.000 0.552 808 S N 0.250 116.054 115.700 0.172 0.000 2.562 808 S HA 0.215 4.676 4.470 -0.015 0.000 0.221 808 S C 2.249 176.978 174.600 0.215 0.000 0.975 808 S CA 0.367 58.738 58.200 0.286 0.000 0.918 808 S CB -0.751 62.583 63.200 0.223 0.000 0.772 808 S HN 0.530 nan 8.310 nan 0.000 0.531 809 G N 2.696 111.544 108.800 0.081 0.000 2.505 809 G HA2 -0.321 3.630 3.960 -0.015 0.000 0.220 809 G HA3 -0.321 3.630 3.960 -0.015 0.000 0.220 809 G C 1.327 176.178 174.900 -0.082 0.000 1.145 809 G CA 1.124 46.237 45.100 0.021 0.000 0.761 809 G HN 0.618 nan 8.290 nan 0.000 0.571 810 K N -0.175 120.057 120.400 -0.281 0.000 2.218 810 K HA -0.062 4.249 4.320 -0.015 0.000 0.205 810 K C 1.255 177.525 176.600 -0.549 0.000 1.046 810 K CA 0.910 56.879 56.287 -0.530 0.000 0.933 810 K CB -0.273 31.705 32.500 -0.869 0.000 0.728 810 K HN 0.427 nan 8.250 nan 0.000 0.454 811 F N 0.726 120.705 119.950 0.049 0.000 2.645 811 F HA 0.154 4.672 4.527 -0.016 0.000 0.300 811 F C 0.723 176.566 175.800 0.073 0.000 1.115 811 F CA -0.650 57.385 58.000 0.059 0.000 1.355 811 F CB 0.504 39.535 39.000 0.051 0.000 1.026 811 F HN -0.127 nan 8.300 nan 0.000 0.536 812 S N 0.429 116.213 115.700 0.139 0.000 2.531 812 S HA 0.049 4.510 4.470 -0.015 0.000 0.279 812 S C 1.481 176.162 174.600 0.134 0.000 1.305 812 S CA -0.120 58.156 58.200 0.127 0.000 1.058 812 S CB 0.758 64.001 63.200 0.073 0.000 0.899 812 S HN 0.379 nan 8.310 nan 0.000 0.493 813 S N 3.404 119.209 115.700 0.175 0.000 2.474 813 S HA -0.094 4.367 4.470 -0.015 0.000 0.235 813 S C 0.994 175.651 174.600 0.095 0.000 0.997 813 S CA 0.822 59.148 58.200 0.211 0.000 0.949 813 S CB -0.366 63.032 63.200 0.329 0.000 0.766 813 S HN 0.797 nan 8.310 nan 0.000 0.517 814 D N 1.887 122.325 120.400 0.063 0.000 2.117 814 D HA -0.094 4.537 4.640 -0.015 0.000 0.197 814 D C 2.098 178.402 176.300 0.008 0.000 0.987 814 D CA 0.834 54.848 54.000 0.023 0.000 0.829 814 D CB -0.354 40.457 40.800 0.017 0.000 0.961 814 D HN 0.302 nan 8.370 nan 0.000 0.460 815 R N 0.782 121.289 120.500 0.012 0.000 2.073 815 R HA -0.093 4.238 4.340 -0.015 0.000 0.234 815 R C 1.930 178.223 176.300 -0.011 0.000 1.134 815 R CA 1.465 57.558 56.100 -0.012 0.000 0.952 815 R CB -0.795 29.484 30.300 -0.034 0.000 0.850 815 R HN 0.132 nan 8.270 nan 0.000 0.433 816 T N 2.226 116.797 114.554 0.030 0.000 2.652 816 T HA -0.132 4.209 4.350 -0.015 0.000 0.267 816 T C 1.938 176.642 174.700 0.007 0.000 1.039 816 T CA 1.438 63.575 62.100 0.061 0.000 1.153 816 T CB -0.136 68.856 68.868 0.207 0.000 0.863 816 T HN 0.112 nan 8.240 nan 0.000 0.428 817 I N 1.663 122.163 120.570 -0.117 0.000 2.315 817 I HA -0.088 4.073 4.170 -0.015 0.000 0.248 817 I C 2.946 179.024 176.117 -0.065 0.000 1.117 817 I CA 0.977 62.172 61.300 -0.175 0.000 1.404 817 I CB -1.641 36.251 38.000 -0.180 0.000 1.071 817 I HN 0.197 nan 8.210 nan 0.000 0.419 818 A N 0.259 123.057 122.820 -0.037 0.000 1.940 818 A HA -0.250 4.061 4.320 -0.015 0.000 0.219 818 A C 2.259 179.802 177.584 -0.067 0.000 1.176 818 A CA 1.564 53.585 52.037 -0.026 0.000 0.631 818 A CB -0.575 18.414 19.000 -0.018 0.000 0.814 818 A HN 0.521 nan 8.150 nan 0.000 0.446 819 Q N -1.882 117.859 119.800 -0.099 0.000 2.049 819 Q HA -0.161 4.170 4.340 -0.015 0.000 0.198 819 Q C 1.959 177.786 176.000 -0.288 0.000 0.971 819 Q CA 1.622 57.325 55.803 -0.167 0.000 0.833 819 Q CB -0.320 28.312 28.738 -0.178 0.000 0.896 819 Q HN 0.818 nan 8.270 nan 0.000 0.434 820 Y N 0.654 120.665 120.300 -0.481 0.000 2.114 820 Y HA -0.309 4.232 4.550 -0.015 0.000 0.282 820 Y C 2.478 177.810 175.900 -0.947 0.000 1.165 820 Y CA 1.310 58.864 58.100 -0.911 0.000 1.148 820 Y CB -0.442 37.146 38.460 -1.454 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.255 122.862 122.820 -0.355 0.000 1.883 821 A HA -0.221 4.090 4.320 -0.015 0.000 0.217 821 A C 2.226 179.830 177.584 0.033 0.000 1.186 821 A CA 2.049 54.120 52.037 0.057 0.000 0.624 821 A CB -0.543 18.559 19.000 0.171 0.000 0.822 821 A HN 0.439 nan 8.150 nan 0.000 0.444 822 R N -0.759 119.718 120.500 -0.038 0.000 2.100 822 R HA 0.006 4.336 4.340 -0.015 0.000 0.220 822 R C 1.759 178.037 176.300 -0.037 0.000 1.091 822 R CA 1.370 57.459 56.100 -0.018 0.000 0.986 822 R CB -0.123 30.161 30.300 -0.026 0.000 0.888 822 R HN 0.648 nan 8.270 nan 0.000 0.444 823 E N -0.457 119.680 120.200 -0.105 0.000 2.415 823 E HA 0.106 4.447 4.350 -0.015 0.000 0.197 823 E C 1.364 177.915 176.600 -0.082 0.000 1.007 823 E CA 0.428 56.769 56.400 -0.098 0.000 0.890 823 E CB 0.575 30.188 29.700 -0.145 0.000 0.891 823 E HN 0.275 nan 8.360 nan 0.000 0.496 824 I N -1.188 119.301 120.570 -0.136 0.000 3.739 824 I HA 0.025 4.186 4.170 -0.015 0.000 0.272 824 I C 1.290 177.543 176.117 0.227 0.000 1.167 824 I CA -0.084 61.195 61.300 -0.035 0.000 1.386 824 I CB 0.268 38.105 38.000 -0.272 0.000 1.490 824 I HN 0.105 nan 8.210 nan 0.000 0.452 825 W N 1.526 122.919 121.300 0.155 0.000 2.658 825 W HA 0.324 4.975 4.660 -0.015 0.000 0.263 825 W C 1.497 178.056 176.519 0.065 0.000 1.274 825 W CA 0.838 58.257 57.345 0.124 0.000 1.343 825 W CB -1.077 28.444 29.460 0.101 0.000 1.106 825 W HN 0.315 nan 8.180 nan 0.000 0.615 826 G N 1.187 110.127 108.800 0.235 0.000 2.256 826 G HA2 -0.105 3.845 3.960 -0.015 0.000 0.272 826 G HA3 -0.105 3.845 3.960 -0.015 0.000 0.272 826 G C -0.319 174.655 174.900 0.123 0.000 1.076 826 G CA 0.241 45.420 45.100 0.132 0.000 0.882 826 G HN 0.412 nan 8.290 nan 0.000 0.497 827 V N -4.252 115.755 119.914 0.155 0.000 2.962 827 V HA 0.909 5.020 4.120 -0.015 0.000 0.313 827 V C -0.378 175.776 176.094 0.100 0.000 1.099 827 V CA -1.687 60.685 62.300 0.119 0.000 0.971 827 V CB 2.349 34.248 31.823 0.127 0.000 1.028 827 V HN 0.126 nan 8.190 nan 0.000 0.430 828 E N 3.822 124.064 120.200 0.070 0.000 2.146 828 E HA 0.499 4.840 4.350 -0.015 0.000 0.282 828 E C -2.498 174.138 176.600 0.060 0.000 0.989 828 E CA -1.772 54.662 56.400 0.057 0.000 0.799 828 E CB 1.703 31.429 29.700 0.042 0.000 1.088 828 E HN 0.738 nan 8.360 nan 0.000 0.397 829 P HA 0.070 nan 4.420 nan 0.000 0.269 829 P C -0.464 176.864 177.300 0.047 0.000 1.215 829 P CA -0.254 62.879 63.100 0.055 0.000 0.780 829 P CB 0.876 32.605 31.700 0.047 0.000 0.898 830 S N 0.888 116.617 115.700 0.048 0.000 2.575 830 S HA 0.320 4.780 4.470 -0.015 0.000 0.278 830 S C 0.453 175.077 174.600 0.039 0.000 1.139 830 S CA -0.750 57.477 58.200 0.044 0.000 0.954 830 S CB 1.026 64.259 63.200 0.055 0.000 1.054 830 S HN 0.273 nan 8.310 nan 0.000 0.483 831 R N 2.236 122.755 120.500 0.031 0.000 2.317 831 R HA 0.181 4.512 4.340 -0.015 0.000 0.208 831 R C 0.036 176.346 176.300 0.017 0.000 0.914 831 R CA 0.074 56.191 56.100 0.028 0.000 1.060 831 R CB 0.066 30.383 30.300 0.028 0.000 1.015 831 R HN 0.692 nan 8.270 nan 0.000 0.498 832 Q N 1.066 120.876 119.800 0.016 0.000 2.337 832 Q HA 0.053 4.384 4.340 -0.015 0.000 0.270 832 Q C -0.256 175.735 176.000 -0.015 0.000 1.002 832 Q CA 0.345 56.149 55.803 0.003 0.000 0.888 832 Q CB 0.720 29.463 28.738 0.010 0.000 1.222 832 Q HN -0.181 nan 8.270 nan 0.000 0.400 833 R N 1.582 122.064 120.500 -0.030 0.000 2.543 833 R HA 0.236 4.566 4.340 -0.015 0.000 0.277 833 R C -0.459 175.796 176.300 -0.076 0.000 1.074 833 R CA -0.014 56.055 56.100 -0.051 0.000 1.076 833 R CB 0.424 30.693 30.300 -0.052 0.000 0.993 833 R HN 0.491 nan 8.270 nan 0.000 0.459 834 L N 5.157 126.318 121.223 -0.103 0.000 2.399 834 L HA 0.396 4.727 4.340 -0.015 0.000 0.266 834 L C -1.705 175.106 176.870 -0.098 0.000 1.114 834 L CA -2.071 52.682 54.840 -0.145 0.000 0.804 834 L CB 1.018 42.961 42.059 -0.194 0.000 1.146 834 L HN 0.466 nan 8.230 nan 0.000 0.451 835 P HA 0.063 nan 4.420 nan 0.000 0.268 835 P C -0.597 176.674 177.300 -0.047 0.000 1.205 835 P CA -0.249 62.818 63.100 -0.056 0.000 0.771 835 P CB 0.785 32.459 31.700 -0.044 0.000 0.858 836 A N 0.000 122.800 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486