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 2qn8_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 XXXXXXXVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.777 55.803 -0.044 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.059 0.000 1.108 13 I N 2.546 123.105 120.570 -0.017 0.000 2.362 13 I HA 0.334 4.501 4.170 -0.005 0.000 0.289 13 I C 1.633 177.751 176.117 0.002 0.000 0.994 13 I CA 0.013 61.311 61.300 -0.004 0.000 1.158 13 I CB 2.292 40.293 38.000 0.001 0.000 1.315 13 I HN 0.538 nan 8.210 nan 0.000 0.451 14 S N 4.537 120.242 115.700 0.008 0.000 2.419 14 S HA -0.155 4.312 4.470 -0.005 0.000 0.235 14 S C 1.658 176.269 174.600 0.018 0.000 1.019 14 S CA 1.246 59.453 58.200 0.011 0.000 0.982 14 S CB -0.209 63.001 63.200 0.015 0.000 0.789 14 S HN 0.565 nan 8.310 nan 0.000 0.490 15 V N 1.490 121.422 119.914 0.029 0.000 3.305 15 V HA 0.178 4.295 4.120 -0.005 0.000 0.269 15 V C 1.991 178.102 176.094 0.029 0.000 1.157 15 V CA 0.893 63.216 62.300 0.039 0.000 1.157 15 V CB -0.732 31.126 31.823 0.058 0.000 0.772 15 V HN 0.489 nan 8.190 nan 0.000 0.498 16 R N 0.220 120.728 120.500 0.013 0.000 2.359 16 R HA 0.384 4.721 4.340 -0.005 0.000 0.231 16 R C 0.893 177.186 176.300 -0.012 0.000 0.913 16 R CA 0.576 56.677 56.100 0.002 0.000 1.075 16 R CB 0.327 30.624 30.300 -0.005 0.000 1.087 16 R HN 0.565 nan 8.270 nan 0.000 0.515 17 G N 0.945 109.737 108.800 -0.013 0.000 2.712 17 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.683 17 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.683 17 G C -0.651 174.235 174.900 -0.024 0.000 1.320 17 G CA -1.042 44.041 45.100 -0.027 0.000 0.847 17 G HN 0.073 nan 8.290 nan 0.000 0.553 18 L N 0.109 121.316 121.223 -0.027 0.000 2.375 18 L HA 0.626 4.963 4.340 -0.005 0.000 0.271 18 L C 1.137 177.994 176.870 -0.022 0.000 1.107 18 L CA -0.137 54.691 54.840 -0.021 0.000 0.806 18 L CB 1.652 43.700 42.059 -0.019 0.000 1.146 18 L HN 1.205 nan 8.230 nan 0.000 0.447 19 A N 2.263 125.075 122.820 -0.015 0.000 3.215 19 A HA 0.536 4.853 4.320 -0.005 0.000 0.320 19 A C 0.485 178.067 177.584 -0.003 0.000 1.084 19 A CA -0.387 51.644 52.037 -0.010 0.000 0.969 19 A CB -0.279 18.716 19.000 -0.009 0.000 1.064 19 A HN 0.784 nan 8.150 nan 0.000 0.513 20 G N -0.325 108.472 108.800 -0.004 0.000 2.554 20 G HA2 0.353 4.310 3.960 -0.005 0.000 0.238 20 G HA3 0.353 4.310 3.960 -0.005 0.000 0.238 20 G C 1.260 176.165 174.900 0.008 0.000 1.259 20 G CA 0.158 45.259 45.100 0.002 0.000 0.843 20 G HN 1.188 nan 8.290 nan 0.000 0.582 21 V N -0.287 119.633 119.914 0.010 0.000 2.287 21 V HA -0.184 3.933 4.120 -0.005 0.000 0.248 21 V C 2.112 178.217 176.094 0.018 0.000 1.053 21 V CA 2.445 64.754 62.300 0.014 0.000 1.027 21 V CB -0.914 30.916 31.823 0.012 0.000 0.646 21 V HN 0.777 nan 8.190 nan 0.000 0.447 22 E N 0.612 120.823 120.200 0.018 0.000 2.110 22 E HA -0.200 4.147 4.350 -0.005 0.000 0.193 22 E C 2.294 178.914 176.600 0.034 0.000 0.988 22 E CA 1.304 57.719 56.400 0.024 0.000 0.804 22 E CB -0.354 29.359 29.700 0.022 0.000 0.745 22 E HN 0.729 nan 8.360 nan 0.000 0.458 23 N N 0.875 119.592 118.700 0.029 0.000 2.142 23 N HA -0.122 4.615 4.740 -0.005 0.000 0.186 23 N C 1.957 177.491 175.510 0.040 0.000 1.023 23 N CA 0.917 53.989 53.050 0.036 0.000 0.852 23 N CB 0.191 38.684 38.487 0.010 0.000 0.998 23 N HN -0.012 nan 8.380 nan 0.000 0.424 24 V N 0.966 120.897 119.914 0.027 0.000 2.343 24 V HA -0.177 3.940 4.120 -0.005 0.000 0.247 24 V C 2.314 178.431 176.094 0.038 0.000 1.051 24 V CA 1.808 64.125 62.300 0.028 0.000 1.036 24 V CB -0.940 30.896 31.823 0.021 0.000 0.654 24 V HN 0.366 nan 8.190 nan 0.000 0.451 25 T N -0.477 114.099 114.554 0.036 0.000 2.720 25 T HA -0.238 4.109 4.350 -0.005 0.000 0.268 25 T C 1.925 176.659 174.700 0.057 0.000 1.037 25 T CA 1.879 64.002 62.100 0.038 0.000 1.144 25 T CB -0.202 68.685 68.868 0.031 0.000 0.864 25 T HN 0.490 nan 8.240 nan 0.000 0.444 26 E N 1.014 121.256 120.200 0.070 0.000 2.047 26 E HA -0.021 4.326 4.350 -0.005 0.000 0.191 26 E C 2.064 178.744 176.600 0.132 0.000 0.987 26 E CA 0.957 57.413 56.400 0.093 0.000 0.799 26 E CB -0.552 29.212 29.700 0.105 0.000 0.752 26 E HN 0.443 nan 8.360 nan 0.000 0.449 27 L N 0.227 121.535 121.223 0.142 0.000 2.012 27 L HA -0.211 4.126 4.340 -0.005 0.000 0.210 27 L C 2.486 179.466 176.870 0.184 0.000 1.073 27 L CA 1.630 56.579 54.840 0.182 0.000 0.748 27 L CB -0.384 41.750 42.059 0.125 0.000 0.891 27 L HN 0.098 nan 8.230 nan 0.000 0.431 28 K N 0.448 120.916 120.400 0.114 0.000 2.057 28 K HA -0.230 4.087 4.320 -0.005 0.000 0.207 28 K C 2.124 178.827 176.600 0.173 0.000 1.049 28 K CA 1.853 58.202 56.287 0.102 0.000 0.931 28 K CB -0.139 32.382 32.500 0.033 0.000 0.714 28 K HN 0.353 nan 8.250 nan 0.000 0.440 29 K N 0.516 120.995 120.400 0.133 0.000 2.103 29 K HA -0.069 4.248 4.320 -0.005 0.000 0.204 29 K C 1.645 178.329 176.600 0.139 0.000 1.052 29 K CA 1.432 57.791 56.287 0.119 0.000 0.945 29 K CB -0.050 32.496 32.500 0.075 0.000 0.722 29 K HN -0.020 nan 8.250 nan 0.000 0.443 30 N N 0.121 118.917 118.700 0.161 0.000 2.331 30 N HA -0.103 4.634 4.740 -0.005 0.000 0.180 30 N C 1.513 177.166 175.510 0.238 0.000 1.019 30 N CA 0.894 54.029 53.050 0.143 0.000 0.881 30 N CB -0.182 38.403 38.487 0.164 0.000 0.972 30 N HN 0.241 nan 8.380 nan 0.000 0.435 31 F N 2.416 122.462 119.950 0.160 0.000 2.113 31 F HA -0.042 4.482 4.527 -0.005 0.000 0.297 31 F C 1.979 177.878 175.800 0.165 0.000 1.103 31 F CA 1.194 59.306 58.000 0.186 0.000 1.248 31 F CB -0.157 38.926 39.000 0.140 0.000 0.999 31 F HN -0.042 nan 8.300 nan 0.000 0.475 32 N N 0.488 119.394 118.700 0.345 0.000 2.244 32 N HA -0.169 4.568 4.740 -0.005 0.000 0.183 32 N C 2.012 177.580 175.510 0.097 0.000 1.016 32 N CA 0.977 54.150 53.050 0.205 0.000 0.866 32 N CB -0.474 38.123 38.487 0.185 0.000 0.980 32 N HN 0.383 nan 8.380 nan 0.000 0.430 33 R N 0.219 120.779 120.500 0.100 0.000 2.075 33 R HA -0.071 4.266 4.340 -0.005 0.000 0.232 33 R C 1.707 178.066 176.300 0.099 0.000 1.126 33 R CA 1.349 57.530 56.100 0.134 0.000 0.963 33 R CB -0.123 30.198 30.300 0.034 0.000 0.858 33 R HN 0.361 nan 8.270 nan 0.000 0.435 34 H N -0.521 118.573 119.070 0.039 0.000 2.395 34 H HA -0.092 4.461 4.556 -0.005 0.000 0.299 34 H C 1.832 177.063 175.328 -0.162 0.000 1.070 34 H CA 1.273 57.275 56.048 -0.077 0.000 1.356 34 H CB 0.147 29.820 29.762 -0.148 0.000 1.401 34 H HN 0.110 nan 8.280 nan 0.000 0.524 35 L N 0.060 121.227 121.223 -0.092 0.000 2.046 35 L HA -0.193 4.144 4.340 -0.005 0.000 0.208 35 L C 2.189 179.008 176.870 -0.085 0.000 1.077 35 L CA 1.849 56.604 54.840 -0.142 0.000 0.747 35 L CB -0.460 41.522 42.059 -0.130 0.000 0.896 35 L HN 0.296 nan 8.230 nan 0.000 0.432 36 H N -1.541 117.424 119.070 -0.175 0.000 2.266 36 H HA -0.081 4.472 4.556 -0.005 0.000 0.308 36 H C 1.835 176.951 175.328 -0.353 0.000 1.057 36 H CA 2.371 58.227 56.048 -0.320 0.000 1.330 36 H CB -0.375 29.085 29.762 -0.504 0.000 1.400 36 H HN 0.283 nan 8.280 nan 0.000 0.503 37 F N -0.317 119.592 119.950 -0.068 0.000 2.206 37 F HA -0.052 4.472 4.527 -0.005 0.000 0.298 37 F C 2.639 178.354 175.800 -0.141 0.000 1.090 37 F CA 1.492 59.413 58.000 -0.132 0.000 1.323 37 F CB -0.501 38.467 39.000 -0.053 0.000 1.028 37 F HN 0.197 nan 8.300 nan 0.000 0.492 38 T N -0.173 114.406 114.554 0.042 0.000 2.939 38 T HA 0.058 4.405 4.350 -0.005 0.000 0.254 38 T C 1.854 176.446 174.700 -0.180 0.000 1.041 38 T CA 0.642 62.692 62.100 -0.083 0.000 1.142 38 T CB -0.056 68.717 68.868 -0.158 0.000 0.874 38 T HN -0.026 nan 8.240 nan 0.000 0.452 39 L N 1.203 122.314 121.223 -0.187 0.000 2.477 39 L HA 0.230 4.567 4.340 -0.005 0.000 0.220 39 L C 0.734 177.495 176.870 -0.181 0.000 1.106 39 L CA 0.553 55.274 54.840 -0.198 0.000 0.851 39 L CB -0.808 41.137 42.059 -0.190 0.000 0.994 39 L HN 0.097 nan 8.230 nan 0.000 0.462 40 V N 0.476 120.266 119.914 -0.207 0.000 5.961 40 V HA -0.284 3.833 4.120 -0.005 0.000 0.311 40 V C 0.353 176.330 176.094 -0.194 0.000 0.552 40 V CA 0.964 63.120 62.300 -0.239 0.000 0.641 40 V CB -2.078 29.636 31.823 -0.182 0.000 0.286 40 V HN 0.458 nan 8.190 nan 0.000 0.939 41 K N 0.610 120.903 120.400 -0.179 0.000 2.533 41 K HA 0.730 5.047 4.320 -0.005 0.000 0.272 41 K C -0.758 175.807 176.600 -0.057 0.000 0.985 41 K CA -0.411 55.804 56.287 -0.119 0.000 0.876 41 K CB 2.870 35.288 32.500 -0.136 0.000 1.452 41 K HN 0.485 nan 8.250 nan 0.000 0.439 42 D N -0.961 119.426 120.400 -0.022 0.000 2.523 42 D HA 0.309 4.946 4.640 -0.005 0.000 0.236 42 D C 0.528 176.858 176.300 0.050 0.000 1.094 42 D CA -0.760 53.260 54.000 0.034 0.000 0.942 42 D CB 0.949 41.771 40.800 0.038 0.000 1.447 42 D HN 0.105 nan 8.370 nan 0.000 0.479 43 R N 0.430 120.996 120.500 0.110 0.000 2.417 43 R HA -0.060 4.277 4.340 -0.005 0.000 0.220 43 R C 0.358 176.733 176.300 0.125 0.000 1.128 43 R CA 0.477 56.682 56.100 0.176 0.000 1.048 43 R CB -0.792 29.612 30.300 0.173 0.000 0.835 43 R HN 0.505 nan 8.270 nan 0.000 0.483 44 N N -0.360 118.378 118.700 0.065 0.000 2.409 44 N HA -0.050 4.687 4.740 -0.005 0.000 0.174 44 N C 1.484 177.010 175.510 0.026 0.000 1.037 44 N CA 1.057 54.135 53.050 0.046 0.000 0.898 44 N CB 0.500 39.004 38.487 0.028 0.000 1.010 44 N HN 0.205 nan 8.380 nan 0.000 0.445 45 V N -2.497 117.417 119.914 0.000 0.000 3.477 45 V HA 0.556 4.673 4.120 -0.005 0.000 0.297 45 V C 0.662 176.715 176.094 -0.069 0.000 1.433 45 V CA -0.653 61.632 62.300 -0.025 0.000 1.052 45 V CB -0.236 31.568 31.823 -0.032 0.000 0.895 45 V HN 0.030 nan 8.190 nan 0.000 0.438 46 A N 2.273 125.027 122.820 -0.109 0.000 2.488 46 A HA 0.566 4.883 4.320 -0.005 0.000 0.249 46 A C 0.803 178.204 177.584 -0.304 0.000 1.083 46 A CA 0.762 52.618 52.037 -0.302 0.000 0.768 46 A CB -0.183 18.478 19.000 -0.564 0.000 1.017 46 A HN 0.838 nan 8.150 nan 0.000 0.496 47 T N 0.735 115.128 114.554 -0.267 0.000 2.902 47 T HA 0.497 4.844 4.350 -0.005 0.000 0.280 47 T C -1.973 172.652 174.700 -0.125 0.000 0.992 47 T CA -1.660 60.363 62.100 -0.128 0.000 1.015 47 T CB 1.037 69.863 68.868 -0.070 0.000 1.044 47 T HN 0.274 nan 8.240 nan 0.000 0.520 48 P HA -0.094 nan 4.420 nan 0.000 0.216 48 P C 1.603 179.003 177.300 0.166 0.000 1.150 48 P CA 0.965 64.186 63.100 0.201 0.000 0.843 48 P CB 0.048 31.831 31.700 0.138 0.000 0.787 49 R N -0.168 120.376 120.500 0.074 0.000 2.092 49 R HA -0.128 4.209 4.340 -0.005 0.000 0.231 49 R C 1.623 178.068 176.300 0.241 0.000 1.119 49 R CA 1.601 57.775 56.100 0.122 0.000 0.970 49 R CB -0.657 29.661 30.300 0.030 0.000 0.864 49 R HN 0.059 nan 8.270 nan 0.000 0.440 50 D N -0.214 120.225 120.400 0.065 0.000 2.117 50 D HA -0.186 4.451 4.640 -0.005 0.000 0.197 50 D C 1.647 177.950 176.300 0.006 0.000 0.987 50 D CA 1.331 55.320 54.000 -0.018 0.000 0.829 50 D CB -0.304 40.335 40.800 -0.268 0.000 0.961 50 D HN 0.297 nan 8.370 nan 0.000 0.460 51 Y N -0.182 120.210 120.300 0.152 0.000 2.242 51 Y HA -0.186 4.361 4.550 -0.005 0.000 0.291 51 Y C 2.286 178.319 175.900 0.222 0.000 1.137 51 Y CA 0.405 58.639 58.100 0.223 0.000 1.181 51 Y CB -1.044 37.600 38.460 0.307 0.000 0.989 51 Y HN 0.098 nan 8.280 nan 0.000 0.527 52 Y N -0.578 119.852 120.300 0.216 0.000 2.145 52 Y HA -0.260 4.287 4.550 -0.005 0.000 0.286 52 Y C 1.946 177.832 175.900 -0.023 0.000 1.145 52 Y CA 1.251 59.382 58.100 0.052 0.000 1.148 52 Y CB -1.142 37.232 38.460 -0.144 0.000 0.981 52 Y HN 0.052 nan 8.280 nan 0.000 0.507 53 F N 0.274 120.038 119.950 -0.309 0.000 2.171 53 F HA -0.147 4.377 4.527 -0.005 0.000 0.300 53 F C 2.627 178.280 175.800 -0.245 0.000 1.090 53 F CA 1.122 58.888 58.000 -0.391 0.000 1.293 53 F CB -0.662 38.253 39.000 -0.141 0.000 1.013 53 F HN 0.219 nan 8.300 nan 0.000 0.486 54 A N -0.163 122.602 122.820 -0.090 0.000 1.902 54 A HA -0.175 4.142 4.320 -0.005 0.000 0.217 54 A C 2.035 179.530 177.584 -0.147 0.000 1.181 54 A CA 1.487 53.341 52.037 -0.305 0.000 0.623 54 A CB -0.948 17.542 19.000 -0.850 0.000 0.818 54 A HN 0.343 nan 8.150 nan 0.000 0.443 55 L N -0.254 121.016 121.223 0.077 0.000 2.056 55 L HA -0.000 4.337 4.340 -0.005 0.000 0.207 55 L C 2.664 179.559 176.870 0.042 0.000 1.078 55 L CA 2.114 57.114 54.840 0.267 0.000 0.749 55 L CB -0.900 41.360 42.059 0.335 0.000 0.901 55 L HN 0.337 nan 8.230 nan 0.000 0.433 56 A N -1.196 121.485 122.820 -0.232 0.000 1.883 56 A HA -0.286 4.031 4.320 -0.005 0.000 0.217 56 A C 2.141 179.447 177.584 -0.463 0.000 1.186 56 A CA 2.041 53.830 52.037 -0.414 0.000 0.624 56 A CB -1.075 17.388 19.000 -0.894 0.000 0.822 56 A HN 0.659 nan 8.150 nan 0.000 0.444 57 H N -0.630 118.160 119.070 -0.466 0.000 2.387 57 H HA -0.056 4.497 4.556 -0.005 0.000 0.299 57 H C 2.349 177.469 175.328 -0.347 0.000 1.090 57 H CA 2.006 57.702 56.048 -0.587 0.000 1.332 57 H CB -0.391 28.695 29.762 -1.127 0.000 1.386 57 H HN 0.458 nan 8.280 nan 0.000 0.516 58 T N -0.312 114.248 114.554 0.009 0.000 2.746 58 T HA -0.128 4.219 4.350 -0.005 0.000 0.267 58 T C 2.250 177.131 174.700 0.302 0.000 1.039 58 T CA 1.388 63.648 62.100 0.266 0.000 1.142 58 T CB -0.390 68.695 68.868 0.362 0.000 0.866 58 T HN 0.100 nan 8.240 nan 0.000 0.444 59 V N 1.250 121.311 119.914 0.245 0.000 2.379 59 V HA -0.077 4.040 4.120 -0.005 0.000 0.245 59 V C 2.585 178.862 176.094 0.305 0.000 1.044 59 V CA 1.434 63.920 62.300 0.311 0.000 1.036 59 V CB -0.593 31.405 31.823 0.292 0.000 0.664 59 V HN 0.341 nan 8.190 nan 0.000 0.453 60 R N 0.223 120.835 120.500 0.186 0.000 2.105 60 R HA -0.218 4.119 4.340 -0.005 0.000 0.239 60 R C 1.987 178.367 176.300 0.134 0.000 1.135 60 R CA 2.027 58.222 56.100 0.159 0.000 0.967 60 R CB -0.371 29.842 30.300 -0.146 0.000 0.861 60 R HN 0.475 nan 8.270 nan 0.000 0.442 61 D N -0.302 120.157 120.400 0.100 0.000 2.149 61 D HA -0.175 4.462 4.640 -0.005 0.000 0.198 61 D C 1.626 177.911 176.300 -0.025 0.000 0.990 61 D CA 1.146 55.171 54.000 0.042 0.000 0.839 61 D CB -0.324 40.489 40.800 0.021 0.000 0.948 61 D HN 0.455 nan 8.370 nan 0.000 0.460 62 H N -0.409 118.723 119.070 0.103 0.000 2.546 62 H HA 0.068 4.621 4.556 -0.005 0.000 0.277 62 H C 2.115 177.484 175.328 0.068 0.000 1.004 62 H CA 0.348 56.443 56.048 0.077 0.000 1.231 62 H CB 0.385 30.186 29.762 0.065 0.000 1.382 62 H HN 0.211 nan 8.280 nan 0.000 0.580 63 L N -0.318 121.010 121.223 0.175 0.000 2.249 63 L HA -0.073 4.264 4.340 -0.005 0.000 0.207 63 L C 2.471 179.447 176.870 0.176 0.000 1.090 63 L CA 0.110 55.024 54.840 0.123 0.000 0.802 63 L CB -0.022 42.080 42.059 0.073 0.000 0.947 63 L HN 0.004 nan 8.230 nan 0.000 0.453 64 V N 0.588 120.620 119.914 0.197 0.000 2.231 64 V HA -0.330 3.787 4.120 -0.005 0.000 0.250 64 V C 2.635 178.834 176.094 0.174 0.000 1.058 64 V CA 2.348 64.784 62.300 0.227 0.000 1.022 64 V CB -1.531 30.377 31.823 0.141 0.000 0.640 64 V HN 0.586 nan 8.190 nan 0.000 0.445 65 G N -0.386 108.475 108.800 0.103 0.000 2.476 65 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.218 65 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.218 65 G C 1.710 176.657 174.900 0.079 0.000 1.164 65 G CA 1.045 46.186 45.100 0.068 0.000 0.768 65 G HN 0.491 nan 8.290 nan 0.000 0.560 66 R N -1.450 119.105 120.500 0.091 0.000 2.096 66 R HA -0.091 4.246 4.340 -0.005 0.000 0.235 66 R C 2.284 178.668 176.300 0.139 0.000 1.127 66 R CA 1.203 57.345 56.100 0.070 0.000 0.968 66 R CB -0.361 29.964 30.300 0.041 0.000 0.861 66 R HN 0.488 nan 8.270 nan 0.000 0.440 67 W N 1.621 122.904 121.300 -0.029 0.000 2.379 67 W HA -0.046 4.612 4.660 -0.005 0.000 0.307 67 W C 1.736 178.233 176.519 -0.037 0.000 1.200 67 W CA 0.820 58.147 57.345 -0.030 0.000 1.297 67 W CB -0.537 28.922 29.460 -0.002 0.000 1.140 67 W HN -0.043 nan 8.180 nan 0.000 0.507 68 I N 0.165 120.802 120.570 0.112 0.000 2.252 68 I HA -0.316 3.851 4.170 -0.005 0.000 0.245 68 I C 2.571 178.681 176.117 -0.011 0.000 1.102 68 I CA 1.413 62.696 61.300 -0.029 0.000 1.385 68 I CB -0.576 37.407 38.000 -0.028 0.000 1.064 68 I HN -0.112 nan 8.210 nan 0.000 0.414 69 R N 0.077 120.584 120.500 0.010 0.000 2.081 69 R HA -0.115 4.222 4.340 -0.005 0.000 0.235 69 R C 2.336 178.606 176.300 -0.050 0.000 1.131 69 R CA 1.887 57.980 56.100 -0.012 0.000 0.960 69 R CB -0.608 29.680 30.300 -0.020 0.000 0.856 69 R HN 0.344 nan 8.270 nan 0.000 0.436 70 T N 1.164 115.670 114.554 -0.080 0.000 2.674 70 T HA -0.140 4.207 4.350 -0.005 0.000 0.265 70 T C 1.800 176.259 174.700 -0.403 0.000 1.039 70 T CA 1.088 63.035 62.100 -0.255 0.000 1.150 70 T CB -0.120 68.638 68.868 -0.183 0.000 0.864 70 T HN 0.185 nan 8.240 nan 0.000 0.427 71 Q N 0.798 120.504 119.800 -0.156 0.000 2.170 71 Q HA -0.091 4.246 4.340 -0.005 0.000 0.203 71 Q C 2.321 178.345 176.000 0.040 0.000 0.976 71 Q CA 1.290 57.074 55.803 -0.032 0.000 0.858 71 Q CB -0.513 28.238 28.738 0.021 0.000 0.907 71 Q HN 0.499 nan 8.270 nan 0.000 0.433 72 Q N 0.026 119.839 119.800 0.022 0.000 2.119 72 Q HA -0.175 4.162 4.340 -0.005 0.000 0.201 72 Q C 1.899 177.985 176.000 0.145 0.000 0.972 72 Q CA 1.761 57.619 55.803 0.092 0.000 0.847 72 Q CB -0.324 28.448 28.738 0.057 0.000 0.903 72 Q HN 0.537 nan 8.270 nan 0.000 0.433 73 H N -0.985 118.054 119.070 -0.053 0.000 2.319 73 H HA -0.177 4.376 4.556 -0.005 0.000 0.299 73 H C 1.117 176.493 175.328 0.080 0.000 1.092 73 H CA 2.251 58.270 56.048 -0.047 0.000 1.302 73 H CB -0.292 29.363 29.762 -0.177 0.000 1.373 73 H HN 0.357 nan 8.280 nan 0.000 0.497 74 Y N -1.166 119.188 120.300 0.089 0.000 2.274 74 Y HA -0.175 4.372 4.550 -0.005 0.000 0.290 74 Y C 2.361 178.297 175.900 0.059 0.000 1.145 74 Y CA 1.004 59.123 58.100 0.033 0.000 1.203 74 Y CB -1.205 37.331 38.460 0.126 0.000 0.984 74 Y HN 0.365 nan 8.280 nan 0.000 0.533 75 Y N 1.108 121.492 120.300 0.140 0.000 2.220 75 Y HA -0.142 4.405 4.550 -0.005 0.000 0.291 75 Y C 1.991 177.905 175.900 0.023 0.000 1.129 75 Y CA 1.594 59.742 58.100 0.080 0.000 1.161 75 Y CB -0.209 38.291 38.460 0.066 0.000 0.997 75 Y HN 0.193 nan 8.280 nan 0.000 0.522 76 E N -0.054 120.126 120.200 -0.034 0.000 2.047 76 E HA -0.170 4.177 4.350 -0.005 0.000 0.191 76 E C 1.982 178.479 176.600 -0.171 0.000 0.987 76 E CA 1.332 57.652 56.400 -0.132 0.000 0.799 76 E CB -0.124 29.560 29.700 -0.026 0.000 0.752 76 E HN 0.427 nan 8.360 nan 0.000 0.449 77 K N 0.573 120.865 120.400 -0.181 0.000 2.305 77 K HA -0.062 4.255 4.320 -0.005 0.000 0.199 77 K C -0.008 176.527 176.600 -0.109 0.000 1.047 77 K CA 0.510 56.699 56.287 -0.164 0.000 0.976 77 K CB 0.134 32.483 32.500 -0.251 0.000 0.765 77 K HN -0.010 nan 8.250 nan 0.000 0.474 78 D N 1.034 121.382 120.400 -0.088 0.000 2.735 78 D HA -0.095 4.542 4.640 -0.005 0.000 0.235 78 D C -2.603 173.673 176.300 -0.040 0.000 1.175 78 D CA -0.013 53.952 54.000 -0.060 0.000 0.683 78 D CB -0.268 40.464 40.800 -0.113 0.000 1.008 78 D HN 0.096 nan 8.370 nan 0.000 0.416 79 P HA 0.128 nan 4.420 nan 0.000 0.275 79 P C -0.317 176.944 177.300 -0.065 0.000 1.266 79 P CA -0.603 62.464 63.100 -0.054 0.000 0.793 79 P CB 0.515 32.169 31.700 -0.076 0.000 1.074 80 K N 1.327 121.688 120.400 -0.064 0.000 2.368 80 K HA 0.127 4.444 4.320 -0.005 0.000 0.282 80 K C -0.228 176.284 176.600 -0.146 0.000 1.035 80 K CA -0.070 56.171 56.287 -0.076 0.000 0.973 80 K CB 0.232 32.704 32.500 -0.048 0.000 0.957 80 K HN 0.227 nan 8.250 nan 0.000 0.474 81 R N 3.596 123.988 120.500 -0.179 0.000 2.349 81 R HA 0.341 4.678 4.340 -0.005 0.000 0.299 81 R C -0.485 175.515 176.300 -0.499 0.000 1.027 81 R CA -0.454 55.449 56.100 -0.327 0.000 0.958 81 R CB 0.815 30.909 30.300 -0.343 0.000 1.047 81 R HN 0.506 nan 8.270 nan 0.000 0.468 82 I N 4.318 124.549 120.570 -0.566 0.000 2.354 82 I HA 0.216 4.383 4.170 -0.005 0.000 0.292 82 I C -0.689 175.095 176.117 -0.554 0.000 0.989 82 I CA -0.750 60.174 61.300 -0.627 0.000 1.188 82 I CB 0.957 38.491 38.000 -0.778 0.000 1.342 82 I HN 0.534 nan 8.210 nan 0.000 0.457 83 Y N 5.944 126.196 120.300 -0.081 0.000 2.345 83 Y HA 0.288 4.835 4.550 -0.005 0.000 0.331 83 Y C -0.334 175.659 175.900 0.156 0.000 0.959 83 Y CA -0.771 57.405 58.100 0.126 0.000 1.204 83 Y CB 1.178 39.670 38.460 0.054 0.000 1.135 83 Y HN 0.384 nan 8.280 nan 0.000 0.477 84 Y N 4.558 125.036 120.300 0.296 0.000 2.454 84 Y HA 0.480 5.027 4.550 -0.005 0.000 0.345 84 Y C -1.232 174.928 175.900 0.433 0.000 0.970 84 Y CA -0.978 57.304 58.100 0.302 0.000 1.204 84 Y CB 0.300 38.941 38.460 0.301 0.000 1.122 84 Y HN 0.494 nan 8.280 nan 0.000 0.514 85 L N 4.913 126.184 121.223 0.079 0.000 2.265 85 L HA 0.486 4.823 4.340 -0.005 0.000 0.288 85 L C -0.141 176.751 176.870 0.036 0.000 1.058 85 L CA 0.095 55.039 54.840 0.174 0.000 0.809 85 L CB 1.294 43.419 42.059 0.109 0.000 1.179 85 L HN 0.568 nan 8.230 nan 0.000 0.429 86 S N 2.654 118.469 115.700 0.193 0.000 2.541 86 S HA 0.483 4.950 4.470 -0.005 0.000 0.271 86 S C 0.251 174.960 174.600 0.182 0.000 1.133 86 S CA -0.613 57.602 58.200 0.026 0.000 0.876 86 S CB 1.031 64.015 63.200 -0.361 0.000 1.105 86 S HN 0.487 nan 8.310 nan 0.000 0.470 87 L N 2.449 123.805 121.223 0.223 0.000 2.591 87 L HA 0.396 4.733 4.340 -0.005 0.000 0.228 87 L C 0.159 177.234 176.870 0.342 0.000 1.133 87 L CA 1.112 56.149 54.840 0.329 0.000 0.880 87 L CB -0.812 41.450 42.059 0.338 0.000 1.033 87 L HN 0.706 nan 8.230 nan 0.000 0.450 88 E N -0.910 119.365 120.200 0.124 0.000 2.292 88 E HA 0.385 4.732 4.350 -0.005 0.000 0.272 88 E C -1.519 174.951 176.600 -0.218 0.000 0.881 88 E CA -0.408 56.040 56.400 0.079 0.000 0.754 88 E CB 2.138 31.854 29.700 0.026 0.000 1.201 88 E HN -0.154 nan 8.360 nan 0.000 0.425 89 F N 2.116 122.172 119.950 0.177 0.000 2.902 89 F HA 0.166 4.689 4.527 -0.005 0.000 0.368 89 F C -0.858 175.030 175.800 0.148 0.000 1.202 89 F CA -0.723 57.371 58.000 0.157 0.000 1.109 89 F CB 0.920 40.005 39.000 0.141 0.000 1.418 89 F HN 0.494 nan 8.300 nan 0.000 0.527 90 Y N 5.084 125.453 120.300 0.115 0.000 2.636 90 Y HA 0.183 4.730 4.550 -0.005 0.000 0.334 90 Y C 1.099 177.022 175.900 0.039 0.000 1.286 90 Y CA -0.902 57.220 58.100 0.038 0.000 1.688 90 Y CB 0.229 38.694 38.460 0.008 0.000 1.662 90 Y HN 0.527 nan 8.280 nan 0.000 0.465 91 M N 0.968 120.689 119.600 0.201 0.000 2.236 91 M HA 0.094 4.571 4.480 -0.005 0.000 0.266 91 M C 1.604 177.879 176.300 -0.042 0.000 1.070 91 M CA 1.141 56.476 55.300 0.059 0.000 1.137 91 M CB -1.259 31.358 32.600 0.028 0.000 1.378 91 M HN 0.642 nan 8.290 nan 0.000 0.426 92 G N 1.099 109.877 108.800 -0.037 0.000 2.553 92 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.242 92 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.242 92 G C -0.241 174.616 174.900 -0.071 0.000 1.277 92 G CA -0.384 44.661 45.100 -0.092 0.000 0.910 92 G HN 0.419 nan 8.290 nan 0.000 0.576 93 R N -0.624 119.819 120.500 -0.094 0.000 2.528 93 R HA 0.576 4.913 4.340 -0.005 0.000 0.271 93 R C 0.972 177.173 176.300 -0.164 0.000 1.056 93 R CA 0.212 56.274 56.100 -0.064 0.000 1.117 93 R CB 0.792 31.068 30.300 -0.039 0.000 1.085 93 R HN 0.553 nan 8.270 nan 0.000 0.530 94 T N 0.971 115.387 114.554 -0.230 0.000 3.000 94 T HA -0.017 4.330 4.350 -0.005 0.000 0.248 94 T C 1.563 175.917 174.700 -0.576 0.000 1.034 94 T CA -0.132 61.624 62.100 -0.572 0.000 1.060 94 T CB 0.098 68.238 68.868 -1.214 0.000 0.983 94 T HN 0.310 nan 8.240 nan 0.000 0.482 95 L N 2.136 123.251 121.223 -0.181 0.000 1.956 95 L HA -0.136 4.201 4.340 -0.005 0.000 0.216 95 L C 2.502 179.360 176.870 -0.019 0.000 1.073 95 L CA 2.103 56.994 54.840 0.085 0.000 0.762 95 L CB -0.788 41.509 42.059 0.397 0.000 0.889 95 L HN 0.225 nan 8.230 nan 0.000 0.433 96 Q N -0.877 118.907 119.800 -0.027 0.000 2.124 96 Q HA -0.256 4.081 4.340 -0.005 0.000 0.202 96 Q C 2.213 178.151 176.000 -0.103 0.000 0.977 96 Q CA 1.934 57.708 55.803 -0.049 0.000 0.850 96 Q CB -0.386 28.318 28.738 -0.055 0.000 0.901 96 Q HN 0.727 nan 8.270 nan 0.000 0.429 97 N N -1.046 117.554 118.700 -0.167 0.000 2.166 97 N HA -0.139 4.598 4.740 -0.005 0.000 0.186 97 N C 1.276 176.685 175.510 -0.169 0.000 1.019 97 N CA 1.762 54.701 53.050 -0.186 0.000 0.856 97 N CB 0.048 38.390 38.487 -0.241 0.000 0.993 97 N HN 0.244 nan 8.380 nan 0.000 0.426 98 T N 1.162 115.584 114.554 -0.220 0.000 2.821 98 T HA -0.018 4.329 4.350 -0.005 0.000 0.267 98 T C 2.039 176.683 174.700 -0.093 0.000 1.046 98 T CA 0.942 62.928 62.100 -0.191 0.000 1.139 98 T CB -0.023 68.686 68.868 -0.266 0.000 0.871 98 T HN 0.270 nan 8.240 nan 0.000 0.454 99 M N 0.543 120.107 119.600 -0.061 0.000 2.175 99 M HA -0.059 4.418 4.480 -0.005 0.000 0.264 99 M C 2.452 178.723 176.300 -0.048 0.000 1.063 99 M CA 1.118 56.396 55.300 -0.038 0.000 1.119 99 M CB -0.593 32.001 32.600 -0.010 0.000 1.377 99 M HN 0.096 nan 8.290 nan 0.000 0.415 100 V N 1.109 120.999 119.914 -0.041 0.000 2.295 100 V HA -0.269 3.848 4.120 -0.005 0.000 0.246 100 V C 1.850 177.953 176.094 0.015 0.000 1.049 100 V CA 1.856 64.156 62.300 -0.001 0.000 1.024 100 V CB -0.830 30.995 31.823 0.002 0.000 0.648 100 V HN 0.476 nan 8.190 nan 0.000 0.447 101 N N -0.190 118.504 118.700 -0.009 0.000 2.459 101 N HA 0.010 4.747 4.740 -0.005 0.000 0.181 101 N C 1.365 176.778 175.510 -0.161 0.000 1.046 101 N CA 0.912 53.936 53.050 -0.043 0.000 0.904 101 N CB -0.107 38.365 38.487 -0.024 0.000 0.964 101 N HN 0.419 nan 8.380 nan 0.000 0.444 102 L N -0.434 120.714 121.223 -0.125 0.000 2.640 102 L HA 0.338 4.675 4.340 -0.005 0.000 0.230 102 L C 0.480 177.266 176.870 -0.139 0.000 1.123 102 L CA -0.158 54.607 54.840 -0.126 0.000 0.900 102 L CB -0.030 41.980 42.059 -0.082 0.000 1.146 102 L HN -0.033 nan 8.230 nan 0.000 0.484 103 A N 0.606 123.342 122.820 -0.140 0.000 2.791 103 A HA -0.207 4.110 4.320 -0.005 0.000 0.292 103 A C 0.817 178.343 177.584 -0.096 0.000 1.487 103 A CA 0.884 52.850 52.037 -0.118 0.000 0.760 103 A CB -2.021 16.893 19.000 -0.144 0.000 1.031 103 A HN 0.432 nan 8.150 nan 0.000 0.503 104 L N -1.537 119.632 121.223 -0.091 0.000 2.766 104 L HA 0.167 4.504 4.340 -0.005 0.000 0.242 104 L C 1.875 178.712 176.870 -0.055 0.000 1.136 104 L CA 0.656 55.439 54.840 -0.095 0.000 0.933 104 L CB 0.095 42.068 42.059 -0.144 0.000 1.241 104 L HN 0.649 nan 8.230 nan 0.000 0.522 105 E N 0.955 121.131 120.200 -0.039 0.000 2.049 105 E HA -0.249 4.098 4.350 -0.005 0.000 0.198 105 E C 1.698 178.288 176.600 -0.018 0.000 1.007 105 E CA 1.605 57.992 56.400 -0.021 0.000 0.809 105 E CB 0.244 29.935 29.700 -0.016 0.000 0.749 105 E HN 0.409 nan 8.360 nan 0.000 0.450 106 N N 0.001 118.687 118.700 -0.023 0.000 2.142 106 N HA -0.129 4.608 4.740 -0.005 0.000 0.186 106 N C 1.603 177.101 175.510 -0.019 0.000 1.023 106 N CA 1.244 54.281 53.050 -0.022 0.000 0.852 106 N CB -0.406 38.068 38.487 -0.023 0.000 0.998 106 N HN 0.233 nan 8.380 nan 0.000 0.424 107 A N 0.468 123.274 122.820 -0.024 0.000 1.883 107 A HA -0.155 4.162 4.320 -0.005 0.000 0.217 107 A C 2.675 180.254 177.584 -0.008 0.000 1.186 107 A CA 1.391 53.416 52.037 -0.019 0.000 0.624 107 A CB -1.024 17.955 19.000 -0.036 0.000 0.822 107 A HN 0.445 nan 8.150 nan 0.000 0.444 108 C N -0.962 118.333 119.300 -0.009 0.000 2.435 108 C HA -0.051 4.406 4.460 -0.005 0.000 0.279 108 C C 2.441 177.434 174.990 0.004 0.000 1.321 108 C CA 1.142 60.165 59.018 0.008 0.000 1.752 108 C CB -1.160 26.596 27.740 0.027 0.000 1.959 108 C HN 0.756 nan 8.230 nan 0.000 0.500 109 D N 0.716 121.118 120.400 0.004 0.000 2.117 109 D HA -0.153 4.484 4.640 -0.005 0.000 0.197 109 D C 2.117 178.435 176.300 0.030 0.000 0.987 109 D CA 1.532 55.536 54.000 0.007 0.000 0.829 109 D CB -0.161 40.631 40.800 -0.012 0.000 0.961 109 D HN 0.455 nan 8.370 nan 0.000 0.460 110 E N 0.078 120.293 120.200 0.025 0.000 2.047 110 E HA -0.045 4.302 4.350 -0.005 0.000 0.191 110 E C 1.898 178.547 176.600 0.082 0.000 0.987 110 E CA 1.520 57.964 56.400 0.074 0.000 0.799 110 E CB -0.626 29.099 29.700 0.041 0.000 0.752 110 E HN 0.239 nan 8.360 nan 0.000 0.449 111 A N -0.022 122.808 122.820 0.015 0.000 1.883 111 A HA -0.235 4.082 4.320 -0.005 0.000 0.217 111 A C 2.515 180.026 177.584 -0.122 0.000 1.186 111 A CA 3.003 55.018 52.037 -0.036 0.000 0.624 111 A CB -1.546 17.436 19.000 -0.030 0.000 0.822 111 A HN 0.531 nan 8.150 nan 0.000 0.444 112 T N -3.736 110.738 114.554 -0.134 0.000 2.821 112 T HA -0.204 4.143 4.350 -0.005 0.000 0.267 112 T C 1.841 176.458 174.700 -0.138 0.000 1.046 112 T CA 1.512 63.469 62.100 -0.238 0.000 1.139 112 T CB -0.572 68.193 68.868 -0.173 0.000 0.871 112 T HN 0.470 nan 8.240 nan 0.000 0.454 113 Y N 2.219 122.438 120.300 -0.135 0.000 2.128 113 Y HA -0.096 4.451 4.550 -0.004 0.000 0.284 113 Y C 2.601 178.440 175.900 -0.100 0.000 1.154 113 Y CA 1.541 59.581 58.100 -0.099 0.000 1.149 113 Y CB -0.680 37.740 38.460 -0.065 0.000 0.976 113 Y HN 0.243 nan 8.280 nan 0.000 0.505 114 Q N -0.230 119.430 119.800 -0.233 0.000 2.291 114 Q HA -0.122 4.215 4.340 -0.005 0.000 0.206 114 Q C 1.848 177.688 176.000 -0.267 0.000 0.976 114 Q CA 1.390 57.019 55.803 -0.290 0.000 0.875 114 Q CB -0.134 28.536 28.738 -0.112 0.000 0.927 114 Q HN 0.526 nan 8.270 nan 0.000 0.450 115 L N -1.043 120.025 121.223 -0.259 0.000 2.591 115 L HA 0.168 4.505 4.340 -0.005 0.000 0.228 115 L C 0.936 177.654 176.870 -0.254 0.000 1.133 115 L CA 0.255 54.947 54.840 -0.246 0.000 0.880 115 L CB 0.112 41.968 42.059 -0.339 0.000 1.033 115 L HN 0.317 nan 8.230 nan 0.000 0.450 116 G N 0.880 109.509 108.800 -0.286 0.000 2.182 116 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.248 116 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.248 116 G C -0.197 174.582 174.900 -0.200 0.000 1.042 116 G CA -0.093 44.862 45.100 -0.242 0.000 0.775 116 G HN 0.238 nan 8.290 nan 0.000 0.501 117 L N -0.447 120.656 121.223 -0.200 0.000 2.354 117 L HA 0.634 4.971 4.340 -0.005 0.000 0.264 117 L C -0.663 176.178 176.870 -0.048 0.000 1.008 117 L CA -1.207 53.534 54.840 -0.166 0.000 0.819 117 L CB 1.949 43.840 42.059 -0.281 0.000 1.339 117 L HN 0.083 nan 8.230 nan 0.000 0.420 118 D N 1.828 122.223 120.400 -0.009 0.000 2.373 118 D HA 0.197 4.834 4.640 -0.005 0.000 0.227 118 D C 0.613 176.936 176.300 0.039 0.000 1.091 118 D CA -0.287 53.734 54.000 0.035 0.000 0.840 118 D CB 1.560 42.386 40.800 0.043 0.000 1.060 118 D HN 0.515 nan 8.370 nan 0.000 0.502 119 M N 3.150 122.774 119.600 0.040 0.000 2.149 119 M HA -0.158 4.319 4.480 -0.005 0.000 0.261 119 M C 1.294 177.635 176.300 0.068 0.000 1.064 119 M CA 1.603 56.937 55.300 0.057 0.000 1.102 119 M CB 0.191 32.818 32.600 0.045 0.000 1.369 119 M HN 0.412 nan 8.290 nan 0.000 0.408 120 E N -0.260 119.970 120.200 0.051 0.000 2.153 120 E HA -0.251 4.096 4.350 -0.005 0.000 0.194 120 E C 1.844 178.479 176.600 0.057 0.000 0.988 120 E CA 1.346 57.775 56.400 0.048 0.000 0.811 120 E CB -0.129 29.595 29.700 0.040 0.000 0.746 120 E HN 0.638 nan 8.360 nan 0.000 0.466 121 E N 0.630 120.867 120.200 0.062 0.000 2.106 121 E HA -0.151 4.196 4.350 -0.005 0.000 0.192 121 E C 2.040 178.685 176.600 0.074 0.000 0.984 121 E CA 0.512 56.951 56.400 0.065 0.000 0.806 121 E CB 0.119 29.858 29.700 0.064 0.000 0.750 121 E HN 0.226 nan 8.360 nan 0.000 0.458 122 L N 0.552 121.839 121.223 0.106 0.000 2.156 122 L HA -0.109 4.228 4.340 -0.005 0.000 0.208 122 L C 2.199 179.145 176.870 0.125 0.000 1.095 122 L CA 0.948 55.884 54.840 0.161 0.000 0.770 122 L CB -0.302 41.902 42.059 0.242 0.000 0.914 122 L HN 0.119 nan 8.230 nan 0.000 0.439 123 E N -0.029 120.232 120.200 0.103 0.000 2.204 123 E HA -0.181 4.166 4.350 -0.005 0.000 0.194 123 E C 1.790 178.372 176.600 -0.030 0.000 0.989 123 E CA 0.636 57.076 56.400 0.066 0.000 0.824 123 E CB 0.048 29.786 29.700 0.062 0.000 0.756 123 E HN 0.382 nan 8.360 nan 0.000 0.477 124 E N 0.365 120.555 120.200 -0.017 0.000 2.418 124 E HA -0.077 4.270 4.350 -0.005 0.000 0.197 124 E C 1.822 178.372 176.600 -0.083 0.000 1.026 124 E CA 0.466 56.854 56.400 -0.021 0.000 0.862 124 E CB 0.113 29.833 29.700 0.033 0.000 0.799 124 E HN 0.425 nan 8.360 nan 0.000 0.518 125 I N 0.689 121.145 120.570 -0.190 0.000 2.716 125 I HA -0.080 4.087 4.170 -0.005 0.000 0.259 125 I C 1.384 177.204 176.117 -0.496 0.000 1.172 125 I CA 0.160 61.278 61.300 -0.304 0.000 1.478 125 I CB 0.090 37.894 38.000 -0.327 0.000 1.104 125 I HN -0.017 nan 8.210 nan 0.000 0.439 126 E N 2.825 122.616 120.200 -0.682 0.000 2.384 126 E HA -0.023 4.324 4.350 -0.005 0.000 0.266 126 E C -0.257 176.277 176.600 -0.109 0.000 1.012 126 E CA -0.174 55.902 56.400 -0.540 0.000 0.901 126 E CB 0.675 30.198 29.700 -0.294 0.000 0.967 126 E HN 0.100 nan 8.360 nan 0.000 0.435 127 E N 3.422 123.657 120.200 0.059 0.000 2.331 127 E HA 0.084 4.431 4.350 -0.005 0.000 0.272 127 E C -0.810 175.916 176.600 0.211 0.000 1.036 127 E CA -0.320 56.191 56.400 0.186 0.000 0.864 127 E CB 0.893 30.788 29.700 0.324 0.000 1.035 127 E HN 0.498 nan 8.360 nan 0.000 0.408 128 D N 0.741 121.227 120.400 0.143 0.000 2.399 128 D HA 0.175 4.812 4.640 -0.005 0.000 0.241 128 D C -0.371 175.954 176.300 0.041 0.000 1.133 128 D CA 0.124 54.170 54.000 0.077 0.000 0.890 128 D CB 0.686 41.507 40.800 0.035 0.000 1.201 128 D HN 0.385 nan 8.370 nan 0.000 0.432 129 A N 2.024 124.807 122.820 -0.062 0.000 2.798 129 A HA 0.490 4.807 4.320 -0.005 0.000 0.316 129 A C 0.875 178.286 177.584 -0.288 0.000 1.506 129 A CA -0.522 51.257 52.037 -0.431 0.000 1.162 129 A CB -0.246 18.603 19.000 -0.251 0.000 1.138 129 A HN 0.502 nan 8.150 nan 0.000 0.532 130 G N 1.803 110.414 108.800 -0.315 0.000 3.717 130 G HA2 0.416 4.373 3.960 -0.005 0.000 0.258 130 G HA3 0.416 4.373 3.960 -0.005 0.000 0.258 130 G C 0.295 175.038 174.900 -0.261 0.000 1.088 130 G CA -0.284 44.755 45.100 -0.102 0.000 1.737 130 G HN 0.684 nan 8.290 nan 0.000 0.648 131 L N 1.440 122.553 121.223 -0.183 0.000 2.939 131 L HA 0.386 4.723 4.340 -0.005 0.000 0.239 131 L C 1.032 177.868 176.870 -0.058 0.000 1.325 131 L CA -0.233 54.584 54.840 -0.038 0.000 1.170 131 L CB -0.396 41.757 42.059 0.158 0.000 1.538 131 L HN 0.344 nan 8.230 nan 0.000 0.452 132 G N -1.234 107.310 108.800 -0.427 0.000 2.660 132 G HA2 0.208 4.165 3.960 -0.005 0.000 0.290 132 G HA3 0.208 4.165 3.960 -0.005 0.000 0.290 132 G C -0.153 174.239 174.900 -0.847 0.000 1.432 132 G CA -0.443 44.337 45.100 -0.534 0.000 0.807 132 G HN -0.091 nan 8.290 nan 0.000 0.485 133 N N -0.818 117.605 118.700 -0.462 0.000 2.368 133 N HA 0.215 4.952 4.740 -0.005 0.000 0.178 133 N C 1.168 176.615 175.510 -0.105 0.000 1.021 133 N CA 1.356 54.241 53.050 -0.274 0.000 0.875 133 N CB 1.121 39.578 38.487 -0.049 0.000 1.020 133 N HN 0.830 nan 8.380 nan 0.000 0.433 134 G N -0.788 108.042 108.800 0.049 0.000 2.947 134 G HA2 0.216 4.173 3.960 -0.005 0.000 0.115 134 G HA3 0.216 4.173 3.960 -0.005 0.000 0.115 134 G C 0.758 175.798 174.900 0.234 0.000 1.214 134 G CA 0.243 45.519 45.100 0.292 0.000 1.324 134 G HN 0.165 nan 8.290 nan 0.000 0.645 135 G N 0.452 109.320 108.800 0.112 0.000 2.476 135 G HA2 -0.151 3.806 3.960 -0.005 0.000 0.218 135 G HA3 -0.151 3.806 3.960 -0.005 0.000 0.218 135 G C 1.887 176.768 174.900 -0.032 0.000 1.164 135 G CA 1.571 46.690 45.100 0.032 0.000 0.768 135 G HN 0.796 nan 8.290 nan 0.000 0.560 136 L N 0.564 121.732 121.223 -0.092 0.000 2.046 136 L HA 0.085 4.422 4.340 -0.005 0.000 0.208 136 L C 2.829 179.612 176.870 -0.146 0.000 1.077 136 L CA 1.968 56.656 54.840 -0.253 0.000 0.747 136 L CB -0.543 41.308 42.059 -0.347 0.000 0.896 136 L HN 0.245 nan 8.230 nan 0.000 0.432 137 G N -0.738 108.040 108.800 -0.037 0.000 2.421 137 G HA2 -0.281 3.676 3.960 -0.005 0.000 0.217 137 G HA3 -0.281 3.676 3.960 -0.005 0.000 0.217 137 G C 1.631 176.594 174.900 0.105 0.000 1.143 137 G CA 0.617 45.721 45.100 0.006 0.000 0.784 137 G HN 0.290 nan 8.290 nan 0.000 0.541 138 R N -0.006 120.594 120.500 0.167 0.000 2.115 138 R HA 0.151 4.488 4.340 -0.005 0.000 0.226 138 R C 2.254 178.550 176.300 -0.007 0.000 1.100 138 R CA 0.691 56.862 56.100 0.119 0.000 0.980 138 R CB -0.814 29.522 30.300 0.059 0.000 0.875 138 R HN 0.321 nan 8.270 nan 0.000 0.445 139 L N 0.177 121.321 121.223 -0.131 0.000 2.046 139 L HA 0.023 4.360 4.340 -0.005 0.000 0.208 139 L C 2.067 178.608 176.870 -0.548 0.000 1.077 139 L CA 2.151 56.758 54.840 -0.389 0.000 0.747 139 L CB -0.852 40.941 42.059 -0.443 0.000 0.896 139 L HN 0.245 nan 8.230 nan 0.000 0.432 140 A N -0.597 122.047 122.820 -0.293 0.000 1.940 140 A HA -0.143 4.174 4.320 -0.005 0.000 0.219 140 A C 2.437 180.050 177.584 0.047 0.000 1.176 140 A CA 1.852 53.786 52.037 -0.173 0.000 0.631 140 A CB -1.119 17.748 19.000 -0.221 0.000 0.814 140 A HN 0.572 nan 8.150 nan 0.000 0.446 141 A N -1.061 121.825 122.820 0.110 0.000 1.873 141 A HA -0.147 4.170 4.320 -0.005 0.000 0.215 141 A C 2.310 179.970 177.584 0.126 0.000 1.186 141 A CA 1.630 53.773 52.037 0.177 0.000 0.616 141 A CB -1.250 17.847 19.000 0.161 0.000 0.823 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.451 117.919 119.300 0.117 0.000 2.425 142 C HA -0.049 4.408 4.460 -0.005 0.000 0.277 142 C C 2.420 177.573 174.990 0.272 0.000 1.280 142 C CA 0.533 59.662 59.018 0.186 0.000 1.744 142 C CB -1.626 26.246 27.740 0.220 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 1.289 121.218 119.950 -0.036 0.000 2.126 143 F HA -0.086 4.437 4.527 -0.005 0.000 0.299 143 F C 2.236 177.978 175.800 -0.096 0.000 1.096 143 F CA 1.048 58.975 58.000 -0.122 0.000 1.255 143 F CB -1.362 37.420 39.000 -0.363 0.000 0.997 143 F HN 0.201 nan 8.300 nan 0.000 0.479 144 L N -0.463 120.843 121.223 0.137 0.000 2.046 144 L HA -0.243 4.094 4.340 -0.005 0.000 0.208 144 L C 2.161 179.050 176.870 0.031 0.000 1.077 144 L CA 1.905 56.784 54.840 0.065 0.000 0.747 144 L CB -0.772 41.333 42.059 0.077 0.000 0.896 144 L HN 0.097 nan 8.230 nan 0.000 0.432 145 D N -0.425 120.002 120.400 0.044 0.000 2.097 145 D HA -0.175 4.462 4.640 -0.005 0.000 0.195 145 D C 2.212 178.529 176.300 0.029 0.000 0.989 145 D CA 1.517 55.527 54.000 0.017 0.000 0.827 145 D CB 0.196 41.004 40.800 0.013 0.000 0.966 145 D HN 0.073 nan 8.370 nan 0.000 0.456 146 S N -0.735 114.998 115.700 0.055 0.000 2.383 146 S HA -0.102 4.365 4.470 -0.005 0.000 0.227 146 S C 1.989 176.602 174.600 0.021 0.000 1.026 146 S CA 0.863 59.086 58.200 0.039 0.000 0.981 146 S CB -0.221 63.006 63.200 0.044 0.000 0.818 146 S HN 0.347 nan 8.310 nan 0.000 0.472 147 M N 0.881 120.488 119.600 0.011 0.000 2.229 147 M HA -0.075 4.402 4.480 -0.005 0.000 0.264 147 M C 2.399 178.703 176.300 0.006 0.000 1.063 147 M CA 1.318 56.622 55.300 0.006 0.000 1.114 147 M CB -0.459 32.127 32.600 -0.023 0.000 1.387 147 M HN 0.393 nan 8.290 nan 0.000 0.420 148 A N -0.393 122.429 122.820 0.002 0.000 1.929 148 A HA -0.089 4.228 4.320 -0.005 0.000 0.216 148 A C 2.144 179.744 177.584 0.026 0.000 1.176 148 A CA 1.768 53.809 52.037 0.007 0.000 0.628 148 A CB -0.908 18.079 19.000 -0.021 0.000 0.816 148 A HN 0.395 nan 8.150 nan 0.000 0.444 149 T N 0.220 114.794 114.554 0.034 0.000 2.915 149 T HA 0.047 4.394 4.350 -0.005 0.000 0.269 149 T C 1.290 176.020 174.700 0.050 0.000 1.071 149 T CA 0.915 63.048 62.100 0.055 0.000 1.132 149 T CB -0.230 68.677 68.868 0.066 0.000 0.878 149 T HN 0.329 nan 8.240 nan 0.000 0.479 150 L N 0.480 121.729 121.223 0.043 0.000 2.653 150 L HA 0.302 4.639 4.340 -0.005 0.000 0.231 150 L C 1.636 178.539 176.870 0.055 0.000 1.153 150 L CA -0.086 54.781 54.840 0.046 0.000 0.933 150 L CB -0.348 41.737 42.059 0.043 0.000 1.175 150 L HN 0.391 nan 8.230 nan 0.000 0.473 151 G N 1.095 109.932 108.800 0.062 0.000 2.225 151 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.267 151 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.267 151 G C 0.140 175.098 174.900 0.096 0.000 1.024 151 G CA 0.074 45.231 45.100 0.095 0.000 0.784 151 G HN 0.288 nan 8.290 nan 0.000 0.507 152 L N -0.098 121.149 121.223 0.040 0.000 2.350 152 L HA 0.599 4.936 4.340 -0.005 0.000 0.275 152 L C 1.231 177.990 176.870 -0.185 0.000 1.099 152 L CA -0.339 54.476 54.840 -0.041 0.000 0.808 152 L CB 1.554 43.599 42.059 -0.025 0.000 1.149 152 L HN 0.249 nan 8.230 nan 0.000 0.442 153 A N 3.152 125.717 122.820 -0.424 0.000 2.981 153 A HA 0.542 4.859 4.320 -0.005 0.000 0.280 153 A C 0.330 177.572 177.584 -0.569 0.000 1.743 153 A CA -0.150 51.328 52.037 -0.931 0.000 1.430 153 A CB -0.679 17.678 19.000 -1.071 0.000 1.085 153 A HN 0.699 nan 8.150 nan 0.000 0.597 154 A N 1.567 124.106 122.820 -0.470 0.000 2.337 154 A HA 0.788 5.105 4.320 -0.005 0.000 0.329 154 A C -0.976 176.365 177.584 -0.406 0.000 1.146 154 A CA -0.451 51.378 52.037 -0.346 0.000 0.800 154 A CB 0.730 19.596 19.000 -0.224 0.000 1.220 154 A HN 0.623 nan 8.150 nan 0.000 0.472 155 Y N 0.276 120.514 120.300 -0.104 0.000 2.391 155 Y HA 0.554 5.101 4.550 -0.005 0.000 0.341 155 Y C 0.820 176.809 175.900 0.149 0.000 0.965 155 Y CA -0.556 57.558 58.100 0.023 0.000 1.067 155 Y CB 2.520 41.088 38.460 0.180 0.000 1.199 155 Y HN 0.826 nan 8.280 nan 0.000 0.450 156 G N 2.102 110.991 108.800 0.148 0.000 2.343 156 G HA2 0.493 4.450 3.960 -0.005 0.000 0.319 156 G HA3 0.493 4.450 3.960 -0.005 0.000 0.319 156 G C -1.860 173.058 174.900 0.030 0.000 1.126 156 G CA -0.334 44.895 45.100 0.215 0.000 0.889 156 G HN 0.513 nan 8.290 nan 0.000 0.457 157 Y N 0.973 121.489 120.300 0.361 0.000 2.376 157 Y HA 0.649 5.196 4.550 -0.005 0.000 0.340 157 Y C 0.759 176.939 175.900 0.467 0.000 0.965 157 Y CA 0.226 58.503 58.100 0.296 0.000 1.078 157 Y CB 2.714 41.377 38.460 0.339 0.000 1.193 157 Y HN 0.882 nan 8.280 nan 0.000 0.452 158 G N 2.288 111.387 108.800 0.499 0.000 2.664 158 G HA2 0.568 4.525 3.960 -0.005 0.000 0.303 158 G HA3 0.568 4.525 3.960 -0.005 0.000 0.303 158 G C -1.777 173.352 174.900 0.382 0.000 1.243 158 G CA -0.820 44.607 45.100 0.546 0.000 0.826 158 G HN 0.430 nan 8.290 nan 0.000 0.498 159 I N 0.514 121.200 120.570 0.193 0.000 2.441 159 I HA 0.439 4.606 4.170 -0.005 0.000 0.295 159 I C 0.281 176.295 176.117 -0.172 0.000 0.994 159 I CA -0.737 60.567 61.300 0.007 0.000 1.144 159 I CB 2.268 40.098 38.000 -0.283 0.000 1.314 159 I HN 0.387 nan 8.210 nan 0.000 0.445 160 R N 5.969 126.480 120.500 0.018 0.000 2.891 160 R HA 0.225 4.562 4.340 -0.005 0.000 0.248 160 R C -1.216 175.158 176.300 0.122 0.000 1.439 160 R CA -0.455 55.693 56.100 0.081 0.000 1.288 160 R CB -0.120 30.204 30.300 0.039 0.000 1.212 160 R HN 0.384 nan 8.270 nan 0.000 0.605 161 Y N 1.711 122.183 120.300 0.288 0.000 2.526 161 Y HA -0.079 4.467 4.550 -0.005 0.000 0.330 161 Y C 1.562 177.662 175.900 0.332 0.000 1.156 161 Y CA 0.049 58.312 58.100 0.272 0.000 1.419 161 Y CB 0.805 39.404 38.460 0.232 0.000 1.250 161 Y HN 0.571 nan 8.280 nan 0.000 0.540 162 E N 1.408 121.816 120.200 0.347 0.000 2.371 162 E HA 0.007 4.354 4.350 -0.005 0.000 0.194 162 E C -0.796 175.737 176.600 -0.112 0.000 1.012 162 E CA 0.564 56.997 56.400 0.056 0.000 0.860 162 E CB 0.066 29.658 29.700 -0.180 0.000 0.811 162 E HN 0.420 nan 8.360 nan 0.000 0.502 163 F N 0.873 121.054 119.950 0.386 0.000 2.499 163 F HA 0.497 5.021 4.527 -0.005 0.000 0.333 163 F C 0.816 176.711 175.800 0.158 0.000 1.138 163 F CA -0.947 57.226 58.000 0.289 0.000 0.945 163 F CB 2.137 41.233 39.000 0.159 0.000 1.181 163 F HN -0.048 nan 8.300 nan 0.000 0.435 164 G N 1.858 110.773 108.800 0.192 0.000 2.582 164 G HA2 0.350 4.307 3.960 -0.005 0.000 0.232 164 G HA3 0.350 4.307 3.960 -0.005 0.000 0.232 164 G C -0.529 174.340 174.900 -0.051 0.000 1.458 164 G CA -0.665 44.403 45.100 -0.054 0.000 1.062 164 G HN 0.526 nan 8.290 nan 0.000 0.566 165 I N 1.001 121.468 120.570 -0.172 0.000 2.683 165 I HA 0.226 4.393 4.170 -0.005 0.000 0.286 165 I C 0.503 176.528 176.117 -0.155 0.000 1.175 165 I CA -1.259 59.903 61.300 -0.230 0.000 1.429 165 I CB -0.307 37.462 38.000 -0.385 0.000 1.371 165 I HN 0.330 nan 8.210 nan 0.000 0.569 166 F N 6.357 126.323 119.950 0.026 0.000 2.595 166 F HA 0.248 4.772 4.527 -0.005 0.000 0.359 166 F C 0.483 176.337 175.800 0.091 0.000 1.147 166 F CA -0.523 57.514 58.000 0.062 0.000 1.341 166 F CB -0.357 38.665 39.000 0.038 0.000 1.104 166 F HN 0.434 nan 8.300 nan 0.000 0.603 167 N N 2.233 121.127 118.700 0.323 0.000 2.514 167 N HA 0.065 4.802 4.740 -0.005 0.000 0.277 167 N C -0.845 174.915 175.510 0.416 0.000 1.126 167 N CA -0.321 52.885 53.050 0.260 0.000 0.978 167 N CB 1.208 39.831 38.487 0.227 0.000 1.106 167 N HN 0.769 nan 8.380 nan 0.000 0.461 168 Q N 2.292 122.306 119.800 0.355 0.000 2.278 168 Q HA 0.195 4.532 4.340 -0.005 0.000 0.257 168 Q C -1.044 175.128 176.000 0.287 0.000 0.928 168 Q CA -0.485 55.561 55.803 0.405 0.000 0.932 168 Q CB 0.738 29.725 28.738 0.415 0.000 1.221 168 Q HN 0.209 nan 8.270 nan 0.000 0.434 169 K N 4.181 124.722 120.400 0.235 0.000 2.259 169 K HA 0.468 4.785 4.320 -0.005 0.000 0.252 169 K C -0.717 175.977 176.600 0.157 0.000 0.936 169 K CA -0.843 55.556 56.287 0.188 0.000 0.810 169 K CB 1.584 34.173 32.500 0.148 0.000 1.143 169 K HN 0.637 nan 8.250 nan 0.000 0.427 170 I N 2.173 122.829 120.570 0.143 0.000 2.328 170 I HA 0.148 4.315 4.170 -0.005 0.000 0.287 170 I C -0.029 176.141 176.117 0.089 0.000 1.012 170 I CA -0.782 60.570 61.300 0.087 0.000 1.195 170 I CB 0.826 38.856 38.000 0.051 0.000 1.350 170 I HN 0.462 nan 8.210 nan 0.000 0.464 171 C N 5.498 124.862 119.300 0.106 0.000 2.301 171 C HA 0.657 5.114 4.460 -0.005 0.000 0.323 171 C C 1.252 176.342 174.990 0.166 0.000 1.265 171 C CA 0.337 59.424 59.018 0.115 0.000 1.503 171 C CB -0.219 27.582 27.740 0.102 0.000 2.195 171 C HN 1.110 nan 8.230 nan 0.000 0.477 172 G N 4.078 112.951 108.800 0.121 0.000 2.225 172 G HA2 0.094 4.051 3.960 -0.005 0.000 0.267 172 G HA3 0.094 4.051 3.960 -0.005 0.000 0.267 172 G C 1.233 176.171 174.900 0.064 0.000 1.024 172 G CA 1.151 46.337 45.100 0.142 0.000 0.784 172 G HN 2.669 nan 8.290 nan 0.000 0.507 173 G N -3.011 105.761 108.800 -0.047 0.000 2.176 173 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.253 173 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.253 173 G C 0.311 174.972 174.900 -0.398 0.000 0.979 173 G CA 0.650 45.595 45.100 -0.259 0.000 0.641 173 G HN 1.214 nan 8.290 nan 0.000 0.530 174 W N 0.677 121.921 121.300 -0.094 0.000 2.570 174 W HA 0.677 5.334 4.660 -0.005 0.000 0.337 174 W C 0.552 177.014 176.519 -0.094 0.000 1.067 174 W CA -0.934 56.350 57.345 -0.101 0.000 1.229 174 W CB 0.890 30.309 29.460 -0.069 0.000 1.355 174 W HN 0.236 nan 8.180 nan 0.000 0.555 175 Q N 2.976 122.873 119.800 0.162 0.000 2.304 175 Q HA 0.289 4.626 4.340 -0.005 0.000 0.260 175 Q C -0.644 175.408 176.000 0.087 0.000 0.965 175 Q CA 0.122 55.985 55.803 0.100 0.000 0.898 175 Q CB 0.590 29.381 28.738 0.088 0.000 1.196 175 Q HN 0.322 nan 8.270 nan 0.000 0.402 176 M N 3.107 122.750 119.600 0.072 0.000 2.393 176 M HA 0.376 4.853 4.480 -0.005 0.000 0.316 176 M C -1.165 175.130 176.300 -0.009 0.000 1.087 176 M CA -0.698 54.612 55.300 0.016 0.000 0.937 176 M CB 1.849 34.475 32.600 0.044 0.000 1.668 176 M HN 0.619 nan 8.290 nan 0.000 0.438 177 E N 1.329 121.450 120.200 -0.132 0.000 2.191 177 E HA 0.462 4.809 4.350 -0.005 0.000 0.278 177 E C -0.871 175.714 176.600 -0.024 0.000 0.972 177 E CA -0.385 55.893 56.400 -0.203 0.000 0.804 177 E CB 1.775 31.106 29.700 -0.616 0.000 1.110 177 E HN 0.461 nan 8.360 nan 0.000 0.394 178 E N 1.440 121.714 120.200 0.123 0.000 2.248 178 E HA 0.584 4.931 4.350 -0.005 0.000 0.267 178 E C -1.165 175.539 176.600 0.173 0.000 0.877 178 E CA -1.146 55.328 56.400 0.123 0.000 0.759 178 E CB 1.256 31.045 29.700 0.148 0.000 1.182 178 E HN 0.622 nan 8.360 nan 0.000 0.418 179 A N 3.460 126.346 122.820 0.110 0.000 2.540 179 A HA -0.002 4.315 4.320 -0.005 0.000 0.239 179 A C 0.039 177.809 177.584 0.310 0.000 1.061 179 A CA 0.250 52.372 52.037 0.141 0.000 0.758 179 A CB 0.132 19.112 19.000 -0.034 0.000 0.991 179 A HN 0.660 nan 8.150 nan 0.000 0.502 180 D N 1.719 122.371 120.400 0.420 0.000 2.563 180 D HA 0.192 4.829 4.640 -0.005 0.000 0.222 180 D C -0.403 176.192 176.300 0.492 0.000 1.145 180 D CA -0.212 54.023 54.000 0.392 0.000 1.001 180 D CB 0.177 41.145 40.800 0.279 0.000 1.049 180 D HN 0.404 nan 8.370 nan 0.000 0.515 181 D N 3.055 123.699 120.400 0.406 0.000 2.688 181 D HA -0.037 4.600 4.640 -0.005 0.000 0.228 181 D C 1.212 177.567 176.300 0.091 0.000 1.116 181 D CA -0.506 53.582 54.000 0.147 0.000 1.023 181 D CB -0.164 40.748 40.800 0.186 0.000 1.100 181 D HN 0.519 nan 8.370 nan 0.000 0.487 182 W N 2.074 123.350 121.300 -0.041 0.000 2.525 182 W HA -0.037 4.620 4.660 -0.005 0.000 0.259 182 W C 0.058 176.582 176.519 0.008 0.000 1.253 182 W CA 0.124 57.480 57.345 0.018 0.000 1.262 182 W CB -0.707 28.789 29.460 0.059 0.000 1.122 182 W HN 0.207 nan 8.180 nan 0.000 0.607 183 L N 1.003 121.795 121.223 -0.719 0.000 2.607 183 L HA 0.180 4.517 4.340 -0.005 0.000 0.228 183 L C 2.713 179.357 176.870 -0.377 0.000 1.123 183 L CA -0.024 54.383 54.840 -0.722 0.000 0.890 183 L CB -0.611 40.925 42.059 -0.871 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.777 121.073 120.500 -0.340 0.000 2.113 184 R HA -0.245 4.092 4.340 -0.005 0.000 0.244 184 R C 1.366 177.436 176.300 -0.384 0.000 1.142 184 R CA 2.217 58.070 56.100 -0.412 0.000 0.953 184 R CB -0.245 29.688 30.300 -0.612 0.000 0.860 184 R HN 0.281 nan 8.270 nan 0.000 0.438 185 Y N -0.387 119.932 120.300 0.031 0.000 2.466 185 Y HA 0.377 4.924 4.550 -0.005 0.000 0.272 185 Y C 0.818 176.734 175.900 0.027 0.000 1.169 185 Y CA 0.361 58.507 58.100 0.077 0.000 1.285 185 Y CB 0.571 39.185 38.460 0.257 0.000 1.078 185 Y HN 0.448 nan 8.280 nan 0.000 0.523 186 G N 1.235 110.075 108.800 0.067 0.000 2.663 186 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.686 186 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.686 186 G C -1.269 173.698 174.900 0.112 0.000 1.246 186 G CA -0.876 44.225 45.100 0.001 0.000 0.795 186 G HN 0.247 nan 8.290 nan 0.000 0.627 187 N N 1.414 120.127 118.700 0.022 0.000 2.569 187 N HA 0.544 5.281 4.740 -0.005 0.000 0.254 187 N C -0.569 174.959 175.510 0.029 0.000 1.004 187 N CA -1.910 51.186 53.050 0.076 0.000 0.904 187 N CB 2.065 40.523 38.487 -0.048 0.000 1.165 187 N HN 0.269 nan 8.380 nan 0.000 0.513 188 P HA -0.021 nan 4.420 nan 0.000 0.226 188 P C 0.611 177.611 177.300 -0.500 0.000 1.153 188 P CA 0.800 63.642 63.100 -0.431 0.000 0.777 188 P CB 0.120 31.391 31.700 -0.716 0.000 0.794 189 W N 1.932 123.255 121.300 0.040 0.000 2.576 189 W HA 0.050 4.707 4.660 -0.005 0.000 0.270 189 W C 1.335 177.900 176.519 0.077 0.000 1.255 189 W CA -0.320 57.041 57.345 0.027 0.000 1.314 189 W CB -0.322 29.161 29.460 0.039 0.000 1.101 189 W HN 0.022 nan 8.180 nan 0.000 0.595 190 E N 1.785 122.162 120.200 0.295 0.000 2.349 190 E HA 0.338 4.685 4.350 -0.005 0.000 0.262 190 E C -0.545 176.216 176.600 0.269 0.000 1.088 190 E CA -0.707 55.874 56.400 0.303 0.000 0.899 190 E CB 1.290 31.180 29.700 0.316 0.000 1.044 190 E HN -0.320 nan 8.360 nan 0.000 0.420 191 K N 1.419 121.987 120.400 0.279 0.000 2.578 191 K HA 0.426 4.743 4.320 -0.005 0.000 0.250 191 K C -1.331 175.270 176.600 0.001 0.000 0.955 191 K CA -0.458 55.917 56.287 0.147 0.000 0.825 191 K CB 1.634 34.223 32.500 0.149 0.000 1.151 191 K HN 0.676 nan 8.250 nan 0.000 0.432 192 A N 4.039 126.751 122.820 -0.179 0.000 2.462 192 A HA 0.459 4.776 4.320 -0.005 0.000 0.243 192 A C -0.328 177.075 177.584 -0.302 0.000 1.076 192 A CA -0.238 51.462 52.037 -0.562 0.000 0.773 192 A CB 0.254 18.847 19.000 -0.678 0.000 1.010 192 A HN 0.645 nan 8.150 nan 0.000 0.493 193 R N 2.999 123.334 120.500 -0.275 0.000 2.748 193 R HA 0.211 4.548 4.340 -0.005 0.000 0.283 193 R C -2.295 173.914 176.300 -0.152 0.000 1.507 193 R CA -1.849 54.157 56.100 -0.157 0.000 1.666 193 R CB 0.710 31.036 30.300 0.043 0.000 1.237 193 R HN 0.603 nan 8.270 nan 0.000 0.633 194 P HA -0.214 nan 4.420 nan 0.000 0.218 194 P C 0.814 178.037 177.300 -0.127 0.000 1.146 194 P CA 1.253 64.285 63.100 -0.114 0.000 0.813 194 P CB 0.387 32.022 31.700 -0.109 0.000 0.778 195 E N -0.034 119.992 120.200 -0.289 0.000 2.472 195 E HA -0.125 4.221 4.350 -0.005 0.000 0.200 195 E C 0.921 177.319 176.600 -0.336 0.000 1.046 195 E CA 0.653 56.825 56.400 -0.380 0.000 0.871 195 E CB -1.013 28.334 29.700 -0.588 0.000 0.806 195 E HN 0.400 nan 8.360 nan 0.000 0.533 196 F N 1.495 121.465 119.950 0.032 0.000 2.708 196 F HA 0.219 4.743 4.527 -0.005 0.000 0.300 196 F C 0.404 176.311 175.800 0.178 0.000 1.118 196 F CA -0.700 57.357 58.000 0.095 0.000 1.307 196 F CB 0.738 39.793 39.000 0.092 0.000 0.986 196 F HN -0.272 nan 8.300 nan 0.000 0.522 197 T N 3.140 117.847 114.554 0.254 0.000 2.888 197 T HA 0.285 4.632 4.350 -0.005 0.000 0.301 197 T C -0.267 174.539 174.700 0.177 0.000 1.001 197 T CA 0.312 62.553 62.100 0.234 0.000 1.147 197 T CB 0.762 69.714 68.868 0.139 0.000 0.931 197 T HN -0.125 nan 8.240 nan 0.000 0.541 198 L N 5.874 127.171 121.223 0.123 0.000 2.388 198 L HA 0.577 4.914 4.340 -0.005 0.000 0.264 198 L C -2.224 174.595 176.870 -0.084 0.000 0.998 198 L CA -2.520 52.315 54.840 -0.008 0.000 0.817 198 L CB 1.878 43.870 42.059 -0.112 0.000 1.338 198 L HN 0.375 nan 8.230 nan 0.000 0.414 199 P HA 0.382 nan 4.420 nan 0.000 0.288 199 P C -1.219 175.902 177.300 -0.299 0.000 1.267 199 P CA -0.388 62.603 63.100 -0.182 0.000 0.815 199 P CB 1.937 33.524 31.700 -0.188 0.000 0.989 200 V N 3.807 123.527 119.914 -0.323 0.000 2.604 200 V HA 0.333 4.450 4.120 -0.005 0.000 0.305 200 V C 0.203 176.006 176.094 -0.486 0.000 1.043 200 V CA -0.634 61.453 62.300 -0.355 0.000 0.888 200 V CB 1.556 33.245 31.823 -0.223 0.000 0.995 200 V HN 0.610 nan 8.190 nan 0.000 0.429 201 H N 3.621 122.516 119.070 -0.293 0.000 2.479 201 H HA 0.641 5.193 4.556 -0.005 0.000 0.335 201 H C -1.296 173.741 175.328 -0.485 0.000 1.142 201 H CA -0.187 55.612 56.048 -0.416 0.000 1.234 201 H CB 1.919 31.185 29.762 -0.826 0.000 1.503 201 H HN 0.484 nan 8.280 nan 0.000 0.510 202 F N 0.159 120.162 119.950 0.088 0.000 2.599 202 F HA 0.207 4.731 4.527 -0.005 0.000 0.311 202 F C -0.324 175.585 175.800 0.181 0.000 1.076 202 F CA -0.587 57.463 58.000 0.083 0.000 0.937 202 F CB 1.145 40.083 39.000 -0.103 0.000 1.282 202 F HN 0.536 nan 8.300 nan 0.000 0.460 203 Y N 0.252 120.849 120.300 0.496 0.000 2.904 203 Y HA 0.000 4.547 4.550 -0.005 0.000 0.466 203 Y C 1.318 177.470 175.900 0.421 0.000 1.202 203 Y CA 0.677 58.987 58.100 0.350 0.000 2.492 203 Y CB -1.882 36.712 38.460 0.223 0.000 1.237 203 Y HN 1.308 nan 8.280 nan 0.000 0.633 204 G N 0.570 109.650 108.800 0.467 0.000 2.593 204 G HA2 0.119 4.076 3.960 -0.005 0.000 0.237 204 G HA3 0.119 4.076 3.960 -0.005 0.000 0.237 204 G C -0.574 174.541 174.900 0.358 0.000 1.312 204 G CA 0.874 46.171 45.100 0.329 0.000 0.896 204 G HN 1.371 nan 8.290 nan 0.000 0.574 205 R N -2.498 118.209 120.500 0.345 0.000 2.752 205 R HA 0.731 5.067 4.340 -0.005 0.000 0.271 205 R C -1.340 175.109 176.300 0.249 0.000 1.026 205 R CA -0.988 55.263 56.100 0.251 0.000 0.901 205 R CB 1.341 31.735 30.300 0.156 0.000 1.243 205 R HN 0.889 nan 8.270 nan 0.000 0.463 206 V N 0.706 120.686 119.914 0.111 0.000 2.427 206 V HA 0.376 4.493 4.120 -0.005 0.000 0.286 206 V C -0.263 175.805 176.094 -0.044 0.000 1.034 206 V CA -0.548 61.751 62.300 -0.002 0.000 0.893 206 V CB 1.405 33.154 31.823 -0.123 0.000 0.982 206 V HN 0.722 nan 8.190 nan 0.000 0.452 207 E N 1.993 122.134 120.200 -0.098 0.000 2.176 207 E HA 0.450 4.797 4.350 -0.005 0.000 0.267 207 E C -1.345 175.153 176.600 -0.170 0.000 0.893 207 E CA -0.776 55.590 56.400 -0.057 0.000 0.761 207 E CB 1.060 30.760 29.700 0.000 0.000 1.133 207 E HN 0.775 nan 8.360 nan 0.000 0.409 208 H N 1.788 120.874 119.070 0.026 0.000 2.685 208 H HA 0.196 4.749 4.556 -0.005 0.000 0.286 208 H C 0.128 175.465 175.328 0.015 0.000 1.102 208 H CA -0.264 55.794 56.048 0.017 0.000 1.254 208 H CB 0.790 30.557 29.762 0.009 0.000 1.397 208 H HN 0.407 nan 8.280 nan 0.000 0.473 209 T N -1.057 113.547 114.554 0.085 0.000 2.910 209 T HA 0.154 4.501 4.350 -0.005 0.000 0.279 209 T C 1.755 176.489 174.700 0.057 0.000 0.989 209 T CA -0.280 61.856 62.100 0.060 0.000 0.968 209 T CB 1.185 70.073 68.868 0.033 0.000 1.135 209 T HN 0.502 nan 8.240 nan 0.000 0.562 210 S N -0.329 115.395 115.700 0.041 0.000 2.392 210 S HA -0.190 4.277 4.470 -0.005 0.000 0.232 210 S C 1.007 175.628 174.600 0.034 0.000 1.041 210 S CA 1.123 59.343 58.200 0.034 0.000 1.026 210 S CB -0.653 62.562 63.200 0.025 0.000 0.845 210 S HN 0.707 nan 8.310 nan 0.000 0.465 211 Q N 1.361 121.180 119.800 0.032 0.000 2.644 211 Q HA 0.584 4.921 4.340 -0.005 0.000 0.245 211 Q C 0.179 176.198 176.000 0.030 0.000 1.064 211 Q CA 0.593 56.414 55.803 0.030 0.000 0.860 211 Q CB 0.648 29.401 28.738 0.024 0.000 1.145 211 Q HN 0.724 nan 8.270 nan 0.000 0.515 212 G N 1.081 109.907 108.800 0.043 0.000 2.814 212 G HA2 0.052 4.009 3.960 -0.005 0.000 0.677 212 G HA3 0.052 4.009 3.960 -0.005 0.000 0.677 212 G C -0.521 174.388 174.900 0.015 0.000 1.429 212 G CA -0.596 44.528 45.100 0.040 0.000 0.868 212 G HN 0.791 nan 8.290 nan 0.000 0.553 213 A N 0.342 123.149 122.820 -0.022 0.000 2.304 213 A HA 0.805 5.122 4.320 -0.005 0.000 0.271 213 A C 0.488 178.011 177.584 -0.101 0.000 1.091 213 A CA 0.811 52.753 52.037 -0.158 0.000 0.812 213 A CB 1.094 19.945 19.000 -0.249 0.000 1.056 213 A HN 1.268 nan 8.150 nan 0.000 0.489 214 K N 0.695 121.029 120.400 -0.110 0.000 2.507 214 K HA 0.314 4.631 4.320 -0.005 0.000 0.251 214 K C -1.958 174.676 176.600 0.057 0.000 0.943 214 K CA -0.461 55.814 56.287 -0.019 0.000 0.794 214 K CB 1.239 33.730 32.500 -0.016 0.000 1.188 214 K HN 0.709 nan 8.250 nan 0.000 0.428 215 W N 6.576 127.794 121.300 -0.137 0.000 2.342 215 W HA 0.362 5.019 4.660 -0.005 0.000 0.310 215 W C -0.844 175.611 176.519 -0.106 0.000 1.128 215 W CA -0.692 56.580 57.345 -0.122 0.000 1.322 215 W CB 0.161 29.536 29.460 -0.142 0.000 1.251 215 W HN 0.307 nan 8.180 nan 0.000 0.439 216 V N 2.761 122.729 119.914 0.090 0.000 3.158 216 V HA 0.602 4.719 4.120 -0.005 0.000 0.315 216 V C -0.021 176.050 176.094 -0.039 0.000 1.148 216 V CA -0.892 61.379 62.300 -0.049 0.000 1.042 216 V CB 1.894 33.718 31.823 0.003 0.000 1.101 216 V HN 0.453 nan 8.190 nan 0.000 0.448 217 D N 0.296 120.672 120.400 -0.039 0.000 2.772 217 D HA -0.142 4.495 4.640 -0.005 0.000 0.233 217 D C 0.558 176.863 176.300 0.008 0.000 1.143 217 D CA 1.500 55.502 54.000 0.003 0.000 0.700 217 D CB -1.566 39.261 40.800 0.045 0.000 1.076 217 D HN 1.296 nan 8.370 nan 0.000 0.430 218 T N -2.801 111.705 114.554 -0.081 0.000 2.874 218 T HA 0.484 4.831 4.350 -0.005 0.000 0.281 218 T C 0.445 175.189 174.700 0.073 0.000 0.994 218 T CA -0.760 61.306 62.100 -0.056 0.000 1.015 218 T CB 2.073 70.718 68.868 -0.371 0.000 1.028 218 T HN 0.031 nan 8.240 nan 0.000 0.523 219 Q N 0.648 120.558 119.800 0.183 0.000 2.230 219 Q HA 0.586 4.923 4.340 -0.005 0.000 0.253 219 Q C -0.928 175.169 176.000 0.161 0.000 0.919 219 Q CA -0.953 54.969 55.803 0.199 0.000 0.908 219 Q CB 2.007 30.938 28.738 0.321 0.000 1.245 219 Q HN 0.506 nan 8.270 nan 0.000 0.437 220 V N 2.529 122.491 119.914 0.080 0.000 2.513 220 V HA 0.464 4.581 4.120 -0.005 0.000 0.299 220 V C -0.323 175.816 176.094 0.074 0.000 1.035 220 V CA -0.684 61.600 62.300 -0.026 0.000 0.889 220 V CB 1.862 33.615 31.823 -0.116 0.000 0.988 220 V HN 0.498 nan 8.190 nan 0.000 0.440 221 V N 5.591 125.572 119.914 0.112 0.000 2.656 221 V HA 0.493 4.610 4.120 -0.005 0.000 0.307 221 V C -0.266 175.930 176.094 0.170 0.000 1.051 221 V CA -0.605 61.809 62.300 0.191 0.000 0.893 221 V CB 1.976 34.001 31.823 0.337 0.000 0.999 221 V HN 0.646 nan 8.190 nan 0.000 0.426 222 L N 3.445 124.771 121.223 0.172 0.000 2.375 222 L HA 0.774 5.111 4.340 -0.005 0.000 0.271 222 L C 0.431 177.488 176.870 0.312 0.000 1.107 222 L CA -0.363 54.576 54.840 0.165 0.000 0.806 222 L CB 1.372 43.510 42.059 0.131 0.000 1.146 222 L HN 0.758 nan 8.230 nan 0.000 0.447 223 A N 4.792 127.738 122.820 0.210 0.000 2.285 223 A HA 0.599 4.916 4.320 -0.005 0.000 0.310 223 A C -0.550 177.313 177.584 0.465 0.000 1.266 223 A CA -0.454 51.747 52.037 0.273 0.000 0.832 223 A CB 0.972 19.697 19.000 -0.458 0.000 1.163 223 A HN 0.774 nan 8.150 nan 0.000 0.499 224 M N 6.169 126.098 119.600 0.548 0.000 2.149 224 M HA 0.434 4.911 4.480 -0.005 0.000 0.342 224 M C -2.605 173.963 176.300 0.446 0.000 1.068 224 M CA -2.198 53.361 55.300 0.432 0.000 0.991 224 M CB 2.173 34.954 32.600 0.301 0.000 1.596 224 M HN 0.399 nan 8.290 nan 0.000 0.439 225 P HA 0.245 nan 4.420 nan 0.000 0.286 225 P C -1.954 175.281 177.300 -0.109 0.000 1.261 225 P CA -0.097 62.904 63.100 -0.164 0.000 0.821 225 P CB 0.746 32.095 31.700 -0.586 0.000 1.013 226 Y N 0.578 120.810 120.300 -0.114 0.000 2.350 226 Y HA 0.332 4.879 4.550 -0.005 0.000 0.338 226 Y C 0.222 176.106 175.900 -0.027 0.000 0.961 226 Y CA -0.261 57.830 58.100 -0.014 0.000 1.100 226 Y CB 1.493 39.977 38.460 0.038 0.000 1.179 226 Y HN 0.229 nan 8.280 nan 0.000 0.454 227 D N 1.700 122.203 120.400 0.172 0.000 2.168 227 D HA 0.458 5.095 4.640 -0.005 0.000 0.246 227 D C -0.674 175.843 176.300 0.361 0.000 1.050 227 D CA -0.254 53.885 54.000 0.232 0.000 0.857 227 D CB 1.838 42.806 40.800 0.280 0.000 1.169 227 D HN 0.374 nan 8.370 nan 0.000 0.453 228 T N 2.962 117.649 114.554 0.222 0.000 2.824 228 T HA 0.457 4.804 4.350 -0.005 0.000 0.282 228 T C -2.543 172.033 174.700 -0.207 0.000 0.993 228 T CA -1.405 60.740 62.100 0.074 0.000 0.967 228 T CB 2.119 71.016 68.868 0.047 0.000 0.960 228 T HN 0.183 nan 8.240 nan 0.000 0.441 229 P HA 0.294 nan 4.420 nan 0.000 0.275 229 P C -0.985 175.994 177.300 -0.534 0.000 1.227 229 P CA -0.362 62.096 63.100 -1.070 0.000 0.781 229 P CB 0.892 31.742 31.700 -1.416 0.000 0.906 230 V N 5.334 124.988 119.914 -0.433 0.000 2.289 230 V HA 0.246 4.363 4.120 -0.005 0.000 0.272 230 V C -2.009 173.951 176.094 -0.224 0.000 1.026 230 V CA -1.886 60.256 62.300 -0.264 0.000 0.807 230 V CB 1.359 33.077 31.823 -0.174 0.000 1.044 230 V HN 0.556 nan 8.190 nan 0.000 0.443 231 P HA 0.246 nan 4.420 nan 0.000 0.281 231 P C 0.356 177.605 177.300 -0.085 0.000 1.252 231 P CA 0.349 63.358 63.100 -0.153 0.000 0.778 231 P CB 1.689 33.294 31.700 -0.158 0.000 0.895 232 G N 2.465 111.233 108.800 -0.054 0.000 2.599 232 G HA2 0.131 4.088 3.960 -0.005 0.000 0.264 232 G HA3 0.131 4.088 3.960 -0.005 0.000 0.264 232 G C -1.154 173.759 174.900 0.021 0.000 1.200 232 G CA -0.622 44.476 45.100 -0.002 0.000 0.896 232 G HN 0.525 nan 8.290 nan 0.000 0.536 233 Y N 1.084 121.347 120.300 -0.062 0.000 2.624 233 Y HA 0.218 4.765 4.550 -0.005 0.000 0.354 233 Y C 1.360 177.224 175.900 -0.060 0.000 1.051 233 Y CA -0.161 57.899 58.100 -0.068 0.000 1.377 233 Y CB -0.135 38.284 38.460 -0.069 0.000 1.168 233 Y HN 0.723 nan 8.280 nan 0.000 0.525 234 R N 3.005 123.219 120.500 -0.477 0.000 3.502 234 R HA -0.328 4.009 4.340 -0.005 0.000 0.266 234 R C 0.057 176.227 176.300 -0.217 0.000 1.077 234 R CA 1.351 57.200 56.100 -0.418 0.000 0.718 234 R CB -2.132 27.765 30.300 -0.673 0.000 1.120 234 R HN 0.941 nan 8.270 nan 0.000 0.457 235 N N -0.675 117.948 118.700 -0.128 0.000 2.177 235 N HA 0.050 4.787 4.740 -0.005 0.000 0.218 235 N C -0.135 175.332 175.510 -0.071 0.000 1.182 235 N CA -0.538 52.467 53.050 -0.074 0.000 0.882 235 N CB 0.485 38.954 38.487 -0.029 0.000 1.052 235 N HN 0.099 nan 8.380 nan 0.000 0.519 236 N N -0.124 118.528 118.700 -0.080 0.000 2.753 236 N HA -0.133 4.604 4.740 -0.005 0.000 0.251 236 N C -0.972 174.500 175.510 -0.064 0.000 1.097 236 N CA 0.579 53.589 53.050 -0.068 0.000 0.786 236 N CB -1.260 37.187 38.487 -0.067 0.000 1.137 236 N HN 0.184 nan 8.380 nan 0.000 0.566 237 V N 1.141 121.022 119.914 -0.055 0.000 2.439 237 V HA 0.458 4.575 4.120 -0.005 0.000 0.282 237 V C 0.578 176.645 176.094 -0.045 0.000 1.039 237 V CA -0.505 61.770 62.300 -0.042 0.000 0.913 237 V CB 2.214 34.038 31.823 0.000 0.000 0.983 237 V HN -0.041 nan 8.190 nan 0.000 0.460 238 V N 5.311 125.205 119.914 -0.034 0.000 2.419 238 V HA 0.431 4.548 4.120 -0.005 0.000 0.287 238 V C -0.120 175.962 176.094 -0.021 0.000 1.017 238 V CA -0.831 61.412 62.300 -0.094 0.000 0.844 238 V CB 1.449 33.184 31.823 -0.146 0.000 1.011 238 V HN 0.844 nan 8.190 nan 0.000 0.429 239 N N 1.966 120.629 118.700 -0.061 0.000 2.448 239 N HA 0.574 5.311 4.740 -0.005 0.000 0.274 239 N C -0.029 175.467 175.510 -0.023 0.000 1.239 239 N CA -0.277 52.766 53.050 -0.013 0.000 0.982 239 N CB 1.260 39.701 38.487 -0.076 0.000 1.199 239 N HN 0.571 nan 8.380 nan 0.000 0.576 240 T N 0.714 115.266 114.554 -0.003 0.000 2.863 240 T HA 0.441 4.788 4.350 -0.005 0.000 0.285 240 T C -0.304 174.368 174.700 -0.047 0.000 1.009 240 T CA -0.525 61.635 62.100 0.101 0.000 0.989 240 T CB 1.165 70.213 68.868 0.300 0.000 1.004 240 T HN 0.322 nan 8.240 nan 0.000 0.455 241 M N 3.572 123.118 119.600 -0.090 0.000 2.078 241 M HA 0.518 4.995 4.480 -0.005 0.000 0.320 241 M C -0.655 175.505 176.300 -0.232 0.000 0.969 241 M CA -0.745 54.411 55.300 -0.238 0.000 0.929 241 M CB 0.869 33.282 32.600 -0.311 0.000 1.504 241 M HN 0.483 nan 8.290 nan 0.000 0.419 242 R N 5.822 126.079 120.500 -0.405 0.000 2.265 242 R HA 0.630 4.967 4.340 -0.005 0.000 0.328 242 R C -1.923 174.102 176.300 -0.458 0.000 0.969 242 R CA -0.419 55.401 56.100 -0.467 0.000 0.832 242 R CB 0.883 30.742 30.300 -0.736 0.000 1.139 242 R HN 0.817 nan 8.270 nan 0.000 0.457 243 L N 5.048 126.103 121.223 -0.281 0.000 2.322 243 L HA 0.500 4.837 4.340 -0.005 0.000 0.281 243 L C -0.816 176.008 176.870 -0.078 0.000 1.014 243 L CA -0.925 53.841 54.840 -0.123 0.000 0.815 243 L CB 1.439 43.509 42.059 0.018 0.000 1.247 243 L HN 0.578 nan 8.230 nan 0.000 0.421 244 W N 1.866 123.289 121.300 0.205 0.000 2.365 244 W HA 0.483 5.140 4.660 -0.005 0.000 0.316 244 W C 0.552 177.304 176.519 0.388 0.000 1.164 244 W CA -0.204 57.291 57.345 0.250 0.000 1.204 244 W CB 1.434 30.912 29.460 0.031 0.000 1.213 244 W HN 0.345 nan 8.180 nan 0.000 0.539 245 S N 1.977 118.085 115.700 0.679 0.000 2.482 245 S HA 0.782 5.249 4.470 -0.005 0.000 0.303 245 S C -0.446 174.504 174.600 0.583 0.000 1.091 245 S CA -0.723 57.781 58.200 0.507 0.000 1.057 245 S CB 0.641 64.069 63.200 0.381 0.000 1.031 245 S HN 0.543 nan 8.310 nan 0.000 0.485 246 A N 4.877 127.891 122.820 0.324 0.000 2.366 246 A HA 0.679 4.996 4.320 -0.005 0.000 0.272 246 A C -0.295 177.393 177.584 0.174 0.000 1.135 246 A CA -0.342 51.799 52.037 0.173 0.000 0.804 246 A CB 0.330 19.160 19.000 -0.284 0.000 1.064 246 A HN 0.682 nan 8.150 nan 0.000 0.499 247 K N 1.150 121.671 120.400 0.201 0.000 2.427 247 K HA 0.609 4.926 4.320 -0.005 0.000 0.252 247 K C -0.428 176.243 176.600 0.118 0.000 0.931 247 K CA -0.406 55.970 56.287 0.149 0.000 0.793 247 K CB 2.263 34.862 32.500 0.167 0.000 1.211 247 K HN 0.810 nan 8.250 nan 0.000 0.426 248 A N 3.671 126.541 122.820 0.083 0.000 2.351 248 A HA 0.536 4.853 4.320 -0.005 0.000 0.257 248 A C -2.224 175.398 177.584 0.063 0.000 1.087 248 A CA -1.062 51.016 52.037 0.067 0.000 0.798 248 A CB -0.241 18.787 19.000 0.046 0.000 1.033 248 A HN 0.321 nan 8.150 nan 0.000 0.488 249 P HA 0.161 nan 4.420 nan 0.000 0.274 249 P C 0.381 177.706 177.300 0.041 0.000 1.231 249 P CA -0.484 62.644 63.100 0.046 0.000 0.790 249 P CB 0.563 32.286 31.700 0.038 0.000 0.951 250 N N 0.738 119.462 118.700 0.040 0.000 2.381 250 N HA -0.074 4.663 4.740 -0.005 0.000 0.182 250 N C 0.531 176.065 175.510 0.041 0.000 1.025 250 N CA 1.089 54.163 53.050 0.040 0.000 0.888 250 N CB -0.249 38.262 38.487 0.040 0.000 0.965 250 N HN 0.625 nan 8.380 nan 0.000 0.438 260 G N 1.650 110.497 108.800 0.079 0.000 2.513 260 G HA2 -0.095 3.862 3.960 -0.005 0.000 0.219 260 G HA3 -0.095 3.862 3.960 -0.005 0.000 0.219 260 G C 1.501 176.429 174.900 0.048 0.000 1.160 260 G CA 1.706 46.837 45.100 0.052 0.000 0.767 260 G HN 1.219 nan 8.290 nan 0.000 0.571 261 G N -0.317 108.521 108.800 0.063 0.000 2.404 261 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.215 261 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.215 261 G C 1.654 176.596 174.900 0.070 0.000 1.174 261 G CA 1.168 46.301 45.100 0.055 0.000 0.780 261 G HN 0.462 nan 8.290 nan 0.000 0.537 262 Y N 1.370 121.673 120.300 0.005 0.000 2.128 262 Y HA -0.140 4.407 4.550 -0.005 0.000 0.284 262 Y C 2.570 178.475 175.900 0.008 0.000 1.154 262 Y CA 1.173 59.277 58.100 0.007 0.000 1.149 262 Y CB -0.178 38.286 38.460 0.006 0.000 0.976 262 Y HN 0.098 nan 8.280 nan 0.000 0.505 263 I N 0.533 121.021 120.570 -0.137 0.000 2.163 263 I HA -0.305 3.862 4.170 -0.005 0.000 0.243 263 I C 2.395 178.396 176.117 -0.194 0.000 1.085 263 I CA 1.827 62.994 61.300 -0.221 0.000 1.347 263 I CB -1.487 36.495 38.000 -0.029 0.000 1.044 263 I HN 0.334 nan 8.210 nan 0.000 0.408 264 Q N 1.147 120.886 119.800 -0.101 0.000 2.135 264 Q HA -0.124 4.213 4.340 -0.005 0.000 0.204 264 Q C 2.233 178.177 176.000 -0.094 0.000 0.981 264 Q CA 2.254 58.013 55.803 -0.074 0.000 0.856 264 Q CB -0.374 28.343 28.738 -0.034 0.000 0.902 264 Q HN 0.475 nan 8.270 nan 0.000 0.425 265 A N -0.768 121.983 122.820 -0.116 0.000 1.908 265 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 265 A C 2.253 179.754 177.584 -0.137 0.000 1.181 265 A CA 1.733 53.709 52.037 -0.102 0.000 0.627 265 A CB -0.792 18.161 19.000 -0.077 0.000 0.818 265 A HN 0.272 nan 8.150 nan 0.000 0.445 266 V N 0.143 119.908 119.914 -0.247 0.000 2.358 266 V HA -0.221 3.896 4.120 -0.005 0.000 0.246 266 V C 2.516 178.539 176.094 -0.118 0.000 1.047 266 V CA 1.790 63.963 62.300 -0.212 0.000 1.035 266 V CB -0.755 30.869 31.823 -0.331 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.204 120.952 121.223 -0.111 0.000 2.141 267 L HA -0.151 4.186 4.340 -0.005 0.000 0.209 267 L C 2.061 178.906 176.870 -0.041 0.000 1.094 267 L CA 1.265 56.067 54.840 -0.062 0.000 0.763 267 L CB -0.715 41.311 42.059 -0.054 0.000 0.908 267 L HN 0.323 nan 8.230 nan 0.000 0.437 268 D N 0.110 120.483 120.400 -0.045 0.000 2.378 268 D HA -0.090 4.547 4.640 -0.005 0.000 0.222 268 D C 2.141 178.431 176.300 -0.017 0.000 0.980 268 D CA 0.532 54.516 54.000 -0.027 0.000 0.907 268 D CB -0.018 40.766 40.800 -0.027 0.000 0.899 268 D HN 0.250 nan 8.370 nan 0.000 0.527 269 R N 0.383 120.871 120.500 -0.019 0.000 2.152 269 R HA -0.028 4.309 4.340 -0.005 0.000 0.232 269 R C 1.635 177.940 176.300 0.007 0.000 1.117 269 R CA 0.565 56.663 56.100 -0.003 0.000 0.981 269 R CB -0.043 30.255 30.300 -0.002 0.000 0.870 269 R HN 0.169 nan 8.270 nan 0.000 0.451 270 N N 0.736 119.438 118.700 0.004 0.000 2.223 270 N HA -0.156 4.581 4.740 -0.005 0.000 0.185 270 N C 1.597 177.113 175.510 0.010 0.000 1.016 270 N CA 0.983 54.041 53.050 0.013 0.000 0.863 270 N CB -0.111 38.384 38.487 0.013 0.000 0.983 270 N HN 0.091 nan 8.380 nan 0.000 0.429 271 L N 1.376 122.601 121.223 0.003 0.000 1.990 271 L HA -0.158 4.179 4.340 -0.005 0.000 0.213 271 L C 2.429 179.293 176.870 -0.010 0.000 1.072 271 L CA 1.678 56.517 54.840 -0.001 0.000 0.755 271 L CB -1.061 40.996 42.059 -0.002 0.000 0.889 271 L HN 0.127 nan 8.230 nan 0.000 0.432 272 A N -0.965 121.852 122.820 -0.004 0.000 1.902 272 A HA -0.198 4.119 4.320 -0.005 0.000 0.217 272 A C 2.100 179.664 177.584 -0.033 0.000 1.181 272 A CA 1.633 53.662 52.037 -0.012 0.000 0.623 272 A CB -0.533 18.481 19.000 0.024 0.000 0.818 272 A HN 0.565 nan 8.150 nan 0.000 0.443 273 E N 0.041 120.238 120.200 -0.005 0.000 2.418 273 E HA -0.084 4.263 4.350 -0.005 0.000 0.197 273 E C 0.969 177.568 176.600 -0.001 0.000 1.026 273 E CA 0.246 56.646 56.400 0.000 0.000 0.862 273 E CB -0.185 29.537 29.700 0.037 0.000 0.799 273 E HN 0.460 nan 8.360 nan 0.000 0.518 274 N N 1.089 119.789 118.700 -0.000 0.000 2.443 274 N HA -0.082 4.655 4.740 -0.005 0.000 0.184 274 N C 1.613 177.136 175.510 0.021 0.000 1.037 274 N CA 0.574 53.641 53.050 0.028 0.000 0.896 274 N CB -0.036 38.465 38.487 0.023 0.000 0.959 274 N HN 0.280 nan 8.380 nan 0.000 0.442 275 I N 0.337 120.864 120.570 -0.072 0.000 2.194 275 I HA -0.250 3.917 4.170 -0.005 0.000 0.246 275 I C 1.385 177.485 176.117 -0.029 0.000 1.093 275 I CA 1.246 62.471 61.300 -0.126 0.000 1.355 275 I CB -0.230 37.526 38.000 -0.407 0.000 1.046 275 I HN 0.123 nan 8.210 nan 0.000 0.413 276 S N -0.405 115.276 115.700 -0.033 0.000 2.583 276 S HA 0.189 4.656 4.470 -0.005 0.000 0.239 276 S C 1.448 176.204 174.600 0.261 0.000 0.966 276 S CA -0.527 57.747 58.200 0.123 0.000 0.973 276 S CB 0.256 63.512 63.200 0.093 0.000 0.794 276 S HN 0.215 nan 8.310 nan 0.000 0.463 277 R N 1.276 121.928 120.500 0.254 0.000 2.062 277 R HA 0.286 4.623 4.340 -0.005 0.000 0.229 277 R C 0.414 176.977 176.300 0.438 0.000 1.128 277 R CA 1.099 57.390 56.100 0.319 0.000 0.960 277 R CB -0.207 30.234 30.300 0.234 0.000 0.855 277 R HN 0.400 nan 8.270 nan 0.000 0.432 278 V N 0.190 120.310 119.914 0.343 0.000 3.012 278 V HA 0.364 4.481 4.120 -0.005 0.000 0.307 278 V C -1.653 174.379 176.094 -0.103 0.000 1.166 278 V CA -1.385 61.029 62.300 0.190 0.000 0.974 278 V CB 1.794 33.652 31.823 0.058 0.000 1.040 278 V HN 0.143 nan 8.190 nan 0.000 0.428 279 L N 6.362 127.297 121.223 -0.479 0.000 2.367 279 L HA 0.490 4.827 4.340 -0.005 0.000 0.275 279 L C -0.929 175.774 176.870 -0.278 0.000 1.129 279 L CA 0.429 54.792 54.840 -0.795 0.000 0.839 279 L CB 0.547 42.104 42.059 -0.837 0.000 1.133 279 L HN 0.680 nan 8.230 nan 0.000 0.453 280 Y N 7.053 127.245 120.300 -0.180 0.000 2.496 280 Y HA 0.232 4.779 4.550 -0.005 0.000 0.334 280 Y C -1.333 174.545 175.900 -0.037 0.000 1.080 280 Y CA -1.267 56.803 58.100 -0.051 0.000 1.355 280 Y CB 0.504 38.958 38.460 -0.009 0.000 1.193 280 Y HN 0.585 nan 8.280 nan 0.000 0.523 281 P HA -0.032 nan 4.420 nan 0.000 0.255 281 P C -0.749 176.667 177.300 0.193 0.000 1.248 281 P CA 0.155 63.343 63.100 0.146 0.000 0.807 281 P CB 0.184 32.047 31.700 0.272 0.000 1.150 282 N N 1.745 120.565 118.700 0.200 0.000 2.415 282 N HA 0.005 4.742 4.740 -0.005 0.000 0.250 282 N C -0.038 175.593 175.510 0.200 0.000 1.127 282 N CA -0.055 53.117 53.050 0.203 0.000 0.945 282 N CB 0.494 39.096 38.487 0.191 0.000 1.196 282 N HN 0.076 nan 8.380 nan 0.000 0.499 283 D N 1.310 121.860 120.400 0.250 0.000 2.440 283 D HA -0.047 4.590 4.640 -0.005 0.000 0.216 283 D C 0.370 176.895 176.300 0.375 0.000 1.150 283 D CA -0.226 53.939 54.000 0.276 0.000 0.832 283 D CB -0.113 40.860 40.800 0.289 0.000 0.992 283 D HN 0.561 nan 8.370 nan 0.000 0.502 284 N N -0.273 118.636 118.700 0.349 0.000 2.516 284 N HA 0.037 4.774 4.740 -0.005 0.000 0.197 284 N C -0.438 175.219 175.510 0.246 0.000 1.064 284 N CA -0.161 53.081 53.050 0.320 0.000 0.866 284 N CB 0.339 38.875 38.487 0.082 0.000 1.255 284 N HN 0.081 nan 8.380 nan 0.000 0.447 285 F N 1.170 121.129 119.950 0.016 0.000 2.547 285 F HA 0.465 4.989 4.527 -0.005 0.000 0.316 285 F C -1.006 174.819 175.800 0.043 0.000 1.121 285 F CA -1.779 56.227 58.000 0.010 0.000 0.911 285 F CB 1.543 40.503 39.000 -0.067 0.000 1.179 285 F HN -0.079 nan 8.300 nan 0.000 0.443 286 F N 5.491 125.138 119.950 -0.506 0.000 2.484 286 F HA 0.352 4.876 4.527 -0.005 0.000 0.360 286 F C -0.424 175.094 175.800 -0.470 0.000 1.101 286 F CA 0.186 57.922 58.000 -0.440 0.000 1.251 286 F CB 0.512 39.221 39.000 -0.485 0.000 1.132 286 F HN 0.498 nan 8.300 nan 0.000 0.570 287 E N 4.088 123.547 120.200 -1.235 0.000 2.216 287 E HA 0.237 4.584 4.350 -0.005 0.000 0.260 287 E C -0.269 175.505 176.600 -1.376 0.000 0.880 287 E CA -0.736 55.090 56.400 -0.957 0.000 0.765 287 E CB 1.706 31.220 29.700 -0.310 0.000 1.174 287 E HN 0.910 nan 8.360 nan 0.000 0.417 288 G N 4.081 112.174 108.800 -1.178 0.000 3.102 288 G HA2 -0.009 3.948 3.960 -0.005 0.000 0.264 288 G HA3 -0.009 3.948 3.960 -0.005 0.000 0.264 288 G C 0.143 175.006 174.900 -0.061 0.000 0.788 288 G CA -0.166 44.496 45.100 -0.731 0.000 2.029 288 G HN 0.093 nan 8.290 nan 0.000 0.608 289 K N 0.791 121.178 120.400 -0.022 0.000 2.172 289 K HA 0.162 4.479 4.320 -0.005 0.000 0.276 289 K C 1.000 177.730 176.600 0.216 0.000 1.013 289 K CA -0.568 55.786 56.287 0.111 0.000 0.913 289 K CB 2.201 34.752 32.500 0.084 0.000 1.055 289 K HN 0.499 nan 8.250 nan 0.000 0.461 290 E N 1.856 122.156 120.200 0.165 0.000 2.085 290 E HA -0.220 4.127 4.350 -0.005 0.000 0.194 290 E C 1.517 178.140 176.600 0.037 0.000 0.994 290 E CA 1.078 57.532 56.400 0.090 0.000 0.801 290 E CB 0.174 29.928 29.700 0.090 0.000 0.743 290 E HN 0.394 nan 8.360 nan 0.000 0.453 291 L N 1.260 122.541 121.223 0.096 0.000 2.083 291 L HA -0.174 4.163 4.340 -0.005 0.000 0.209 291 L C 2.441 179.371 176.870 0.100 0.000 1.083 291 L CA 1.788 56.697 54.840 0.115 0.000 0.752 291 L CB -0.497 41.707 42.059 0.240 0.000 0.899 291 L HN 0.002 nan 8.230 nan 0.000 0.433 292 R N -0.653 119.833 120.500 -0.024 0.000 2.092 292 R HA -0.150 4.187 4.340 -0.005 0.000 0.231 292 R C 2.091 178.408 176.300 0.028 0.000 1.119 292 R CA 1.765 57.767 56.100 -0.163 0.000 0.970 292 R CB -0.951 29.027 30.300 -0.536 0.000 0.864 292 R HN 0.410 nan 8.270 nan 0.000 0.440 293 L N 0.804 121.980 121.223 -0.079 0.000 2.093 293 L HA -0.046 4.291 4.340 -0.005 0.000 0.208 293 L C 1.674 178.477 176.870 -0.111 0.000 1.085 293 L CA 1.866 56.455 54.840 -0.418 0.000 0.755 293 L CB -0.359 41.187 42.059 -0.855 0.000 0.904 293 L HN 0.142 nan 8.230 nan 0.000 0.435 294 K N -0.946 119.432 120.400 -0.036 0.000 2.057 294 K HA -0.191 4.126 4.320 -0.005 0.000 0.207 294 K C 2.078 178.830 176.600 0.253 0.000 1.049 294 K CA 1.754 58.085 56.287 0.072 0.000 0.931 294 K CB -0.180 32.179 32.500 -0.236 0.000 0.714 294 K HN 0.516 nan 8.250 nan 0.000 0.440 295 Q N 0.664 120.577 119.800 0.188 0.000 2.084 295 Q HA -0.182 4.155 4.340 -0.005 0.000 0.202 295 Q C 1.939 178.129 176.000 0.317 0.000 0.978 295 Q CA 1.403 57.376 55.803 0.283 0.000 0.844 295 Q CB -0.022 28.901 28.738 0.308 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.426 296 E N -0.186 120.151 120.200 0.228 0.000 2.077 296 E HA -0.209 4.138 4.350 -0.005 0.000 0.193 296 E C 1.706 178.407 176.600 0.169 0.000 0.989 296 E CA 1.016 57.533 56.400 0.195 0.000 0.800 296 E CB -0.110 29.681 29.700 0.151 0.000 0.746 296 E HN 0.329 nan 8.360 nan 0.000 0.452 297 Y N 0.259 120.595 120.300 0.061 0.000 2.286 297 Y HA -0.169 4.378 4.550 -0.005 0.000 0.293 297 Y C 1.923 177.842 175.900 0.032 0.000 1.124 297 Y CA 0.830 58.917 58.100 -0.021 0.000 1.178 297 Y CB -0.317 38.097 38.460 -0.075 0.000 1.010 297 Y HN 0.002 nan 8.280 nan 0.000 0.536 298 F N -0.283 119.646 119.950 -0.036 0.000 2.065 298 F HA -0.239 4.284 4.527 -0.005 0.000 0.298 298 F C 2.471 178.112 175.800 -0.265 0.000 1.112 298 F CA 2.030 59.964 58.000 -0.111 0.000 1.212 298 F CB -1.032 38.058 39.000 0.150 0.000 0.975 298 F HN -0.057 nan 8.300 nan 0.000 0.476 299 V N -0.523 119.346 119.914 -0.075 0.000 2.427 299 V HA -0.183 3.934 4.120 -0.005 0.000 0.248 299 V C 2.156 178.080 176.094 -0.283 0.000 1.051 299 V CA 1.893 64.103 62.300 -0.150 0.000 1.048 299 V CB -0.343 31.596 31.823 0.194 0.000 0.666 299 V HN 0.249 nan 8.190 nan 0.000 0.456 300 V N 0.484 120.245 119.914 -0.256 0.000 2.307 300 V HA -0.152 3.965 4.120 -0.005 0.000 0.245 300 V C 2.822 178.642 176.094 -0.456 0.000 1.045 300 V CA 2.034 64.167 62.300 -0.277 0.000 1.024 300 V CB -1.059 30.666 31.823 -0.164 0.000 0.651 300 V HN 0.639 nan 8.190 nan 0.000 0.449 301 A N -0.060 122.324 122.820 -0.726 0.000 1.877 301 A HA -0.114 4.203 4.320 -0.005 0.000 0.216 301 A C 2.394 179.583 177.584 -0.659 0.000 1.186 301 A CA 2.150 53.745 52.037 -0.737 0.000 0.620 301 A CB -0.787 17.552 19.000 -1.101 0.000 0.822 301 A HN 0.560 nan 8.150 nan 0.000 0.443 302 A N -1.233 121.029 122.820 -0.930 0.000 1.898 302 A HA -0.028 4.289 4.320 -0.005 0.000 0.216 302 A C 2.299 179.344 177.584 -0.898 0.000 1.181 302 A CA 2.168 53.471 52.037 -1.224 0.000 0.620 302 A CB -1.175 16.435 19.000 -2.316 0.000 0.819 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.501 114.660 114.554 -0.658 0.000 2.708 303 T HA -0.081 4.266 4.350 -0.005 0.000 0.266 303 T C 1.812 176.211 174.700 -0.502 0.000 1.037 303 T CA 1.429 63.257 62.100 -0.453 0.000 1.146 303 T CB -0.372 68.224 68.868 -0.453 0.000 0.865 303 T HN 0.341 nan 8.240 nan 0.000 0.435 304 L N 0.717 121.698 121.223 -0.404 0.000 2.131 304 L HA -0.147 4.190 4.340 -0.005 0.000 0.210 304 L C 2.889 179.622 176.870 -0.228 0.000 1.092 304 L CA 1.334 55.992 54.840 -0.303 0.000 0.759 304 L CB -0.497 41.424 42.059 -0.231 0.000 0.903 304 L HN 0.358 nan 8.230 nan 0.000 0.435 305 Q N -0.624 119.037 119.800 -0.231 0.000 2.119 305 Q HA -0.234 4.103 4.340 -0.005 0.000 0.201 305 Q C 1.739 177.686 176.000 -0.088 0.000 0.972 305 Q CA 1.591 57.312 55.803 -0.137 0.000 0.847 305 Q CB -0.073 28.573 28.738 -0.155 0.000 0.903 305 Q HN 0.388 nan 8.270 nan 0.000 0.433 306 D N 0.628 120.961 120.400 -0.111 0.000 2.117 306 D HA -0.096 4.541 4.640 -0.005 0.000 0.198 306 D C 1.674 177.891 176.300 -0.139 0.000 0.982 306 D CA 0.854 54.826 54.000 -0.046 0.000 0.828 306 D CB -0.012 40.872 40.800 0.139 0.000 0.967 306 D HN 0.152 nan 8.370 nan 0.000 0.464 307 I N 0.194 120.583 120.570 -0.303 0.000 2.179 307 I HA -0.237 3.930 4.170 -0.005 0.000 0.242 307 I C 2.317 178.432 176.117 -0.005 0.000 1.088 307 I CA 0.744 61.816 61.300 -0.380 0.000 1.357 307 I CB -0.132 37.487 38.000 -0.635 0.000 1.051 307 I HN 0.059 nan 8.210 nan 0.000 0.409 308 I N 0.247 120.869 120.570 0.087 0.000 2.315 308 I HA -0.289 3.878 4.170 -0.005 0.000 0.248 308 I C 2.783 179.060 176.117 0.267 0.000 1.117 308 I CA 1.096 62.574 61.300 0.296 0.000 1.404 308 I CB -0.430 37.692 38.000 0.204 0.000 1.071 308 I HN 0.225 nan 8.210 nan 0.000 0.419 309 R N 1.365 121.942 120.500 0.127 0.000 2.080 309 R HA -0.231 4.106 4.340 -0.005 0.000 0.236 309 R C 2.500 178.862 176.300 0.102 0.000 1.137 309 R CA 1.831 57.991 56.100 0.100 0.000 0.943 309 R CB -0.307 30.023 30.300 0.050 0.000 0.846 309 R HN 0.192 nan 8.270 nan 0.000 0.431 310 R N -0.604 119.945 120.500 0.080 0.000 2.120 310 R HA -0.172 4.165 4.340 -0.005 0.000 0.234 310 R C 2.159 178.557 176.300 0.162 0.000 1.123 310 R CA 1.662 57.819 56.100 0.095 0.000 0.975 310 R CB -0.367 29.967 30.300 0.057 0.000 0.866 310 R HN 0.303 nan 8.270 nan 0.000 0.446 311 F N 1.376 121.364 119.950 0.063 0.000 2.146 311 F HA -0.095 4.429 4.527 -0.005 0.000 0.298 311 F C 1.631 177.459 175.800 0.046 0.000 1.096 311 F CA 1.540 59.578 58.000 0.064 0.000 1.275 311 F CB 0.012 39.107 39.000 0.159 0.000 1.008 311 F HN -0.135 nan 8.300 nan 0.000 0.480 312 K N -0.469 119.900 120.400 -0.052 0.000 2.217 312 K HA -0.013 4.304 4.320 -0.005 0.000 0.202 312 K C 1.793 178.322 176.600 -0.118 0.000 1.051 312 K CA 1.203 57.379 56.287 -0.185 0.000 0.952 312 K CB -0.225 32.272 32.500 -0.005 0.000 0.736 312 K HN 0.111 nan 8.250 nan 0.000 0.453 313 S N 1.237 116.931 115.700 -0.010 0.000 2.650 313 S HA 0.006 4.473 4.470 -0.005 0.000 0.219 313 S C 0.589 175.264 174.600 0.126 0.000 0.960 313 S CA -0.141 58.096 58.200 0.062 0.000 0.925 313 S CB -0.045 63.213 63.200 0.096 0.000 0.775 313 S HN 0.319 nan 8.310 nan 0.000 0.525 325 N N 2.359 121.006 118.700 -0.088 0.000 2.422 325 N HA 0.208 4.945 4.740 -0.005 0.000 0.264 325 N C -0.047 175.481 175.510 0.030 0.000 1.063 325 N CA -0.486 52.573 53.050 0.016 0.000 0.959 325 N CB 0.825 39.342 38.487 0.050 0.000 1.087 325 N HN 0.265 nan 8.380 nan 0.000 0.483 326 F N 0.755 120.797 119.950 0.154 0.000 2.804 326 F HA 0.115 4.639 4.527 -0.005 0.000 0.303 326 F C 1.558 177.423 175.800 0.108 0.000 1.154 326 F CA -0.128 57.951 58.000 0.131 0.000 1.401 326 F CB 0.101 39.057 39.000 -0.074 0.000 1.106 326 F HN 0.446 nan 8.300 nan 0.000 0.568 327 D N 0.281 120.815 120.400 0.223 0.000 2.219 327 D HA -0.110 4.527 4.640 -0.005 0.000 0.205 327 D C 2.127 178.515 176.300 0.147 0.000 0.970 327 D CA 1.133 55.224 54.000 0.151 0.000 0.851 327 D CB 0.102 40.966 40.800 0.107 0.000 0.943 327 D HN 0.317 nan 8.370 nan 0.000 0.488 328 A N -0.334 122.599 122.820 0.189 0.000 2.308 328 A HA 0.078 4.395 4.320 -0.005 0.000 0.217 328 A C 1.617 179.306 177.584 0.176 0.000 1.216 328 A CA -0.376 51.766 52.037 0.176 0.000 0.864 328 A CB -0.548 18.565 19.000 0.188 0.000 0.902 328 A HN 0.115 nan 8.150 nan 0.000 0.499 329 F N 1.904 121.824 119.950 -0.050 0.000 2.091 329 F HA -0.123 4.401 4.527 -0.005 0.000 0.299 329 F C -0.840 174.844 175.800 -0.192 0.000 1.103 329 F CA 2.395 60.168 58.000 -0.378 0.000 1.228 329 F CB -0.532 38.275 39.000 -0.320 0.000 0.984 329 F HN 0.198 nan 8.300 nan 0.000 0.477 330 P HA -0.099 nan 4.420 nan 0.000 0.226 330 P C 0.725 177.979 177.300 -0.078 0.000 1.153 330 P CA 1.465 64.536 63.100 -0.048 0.000 0.777 330 P CB -0.039 31.660 31.700 -0.002 0.000 0.794 331 D N -0.938 119.436 120.400 -0.044 0.000 2.323 331 D HA -0.020 4.617 4.640 -0.005 0.000 0.209 331 D C 1.455 177.735 176.300 -0.033 0.000 0.973 331 D CA 0.894 54.882 54.000 -0.020 0.000 0.874 331 D CB 0.143 40.954 40.800 0.018 0.000 0.930 331 D HN 0.147 nan 8.370 nan 0.000 0.521 332 K N 0.134 120.486 120.400 -0.080 0.000 2.373 332 K HA 0.215 4.532 4.320 -0.005 0.000 0.200 332 K C -0.045 176.449 176.600 -0.177 0.000 1.054 332 K CA 0.042 56.292 56.287 -0.062 0.000 1.065 332 K CB 2.329 34.901 32.500 0.118 0.000 0.886 332 K HN -0.061 nan 8.250 nan 0.000 0.546 333 V N 0.869 120.585 119.914 -0.329 0.000 2.686 333 V HA 0.648 4.765 4.120 -0.005 0.000 0.306 333 V C -1.167 174.827 176.094 -0.167 0.000 1.065 333 V CA -1.268 60.837 62.300 -0.325 0.000 0.894 333 V CB 1.905 33.224 31.823 -0.840 0.000 1.004 333 V HN 0.105 nan 8.190 nan 0.000 0.424 334 A N 5.603 128.380 122.820 -0.073 0.000 2.359 334 A HA 0.911 5.228 4.320 -0.005 0.000 0.303 334 A C -1.051 176.548 177.584 0.024 0.000 1.066 334 A CA -0.424 51.602 52.037 -0.018 0.000 0.730 334 A CB 1.020 19.952 19.000 -0.114 0.000 1.211 334 A HN 0.758 nan 8.150 nan 0.000 0.439 335 I N 1.950 122.584 120.570 0.106 0.000 2.382 335 I HA 0.312 4.479 4.170 -0.005 0.000 0.286 335 I C -0.333 175.870 176.117 0.143 0.000 1.002 335 I CA -0.584 60.790 61.300 0.123 0.000 1.135 335 I CB 1.955 40.010 38.000 0.092 0.000 1.288 335 I HN 0.703 nan 8.210 nan 0.000 0.448 336 Q N 6.861 126.742 119.800 0.135 0.000 2.314 336 Q HA 0.511 4.848 4.340 -0.005 0.000 0.259 336 Q C -1.363 174.630 176.000 -0.012 0.000 0.951 336 Q CA -0.271 55.643 55.803 0.185 0.000 0.909 336 Q CB 1.369 30.337 28.738 0.382 0.000 1.236 336 Q HN 0.569 nan 8.270 nan 0.000 0.444 337 L N 3.770 125.026 121.223 0.055 0.000 2.257 337 L HA 0.411 4.748 4.340 -0.005 0.000 0.290 337 L C 0.046 176.936 176.870 0.034 0.000 1.044 337 L CA -0.770 54.090 54.840 0.034 0.000 0.810 337 L CB 0.736 42.864 42.059 0.115 0.000 1.193 337 L HN 0.567 nan 8.230 nan 0.000 0.425 338 N N 4.455 123.098 118.700 -0.095 0.000 2.448 338 N HA 0.075 4.812 4.740 -0.005 0.000 0.250 338 N C -0.203 175.341 175.510 0.056 0.000 1.136 338 N CA 0.515 53.573 53.050 0.014 0.000 0.953 338 N CB -0.086 38.333 38.487 -0.114 0.000 1.251 338 N HN 0.633 nan 8.380 nan 0.000 0.502 339 D N -0.073 120.446 120.400 0.198 0.000 4.808 339 D HA -0.218 4.419 4.640 -0.005 0.000 0.304 339 D C 0.361 176.749 176.300 0.147 0.000 2.360 339 D CA 1.460 55.554 54.000 0.156 0.000 1.222 339 D CB -0.531 40.067 40.800 -0.336 0.000 1.085 339 D HN 0.500 nan 8.370 nan 0.000 1.266 340 T N -2.416 112.158 114.554 0.034 0.000 3.129 340 T HA 0.088 4.435 4.350 -0.005 0.000 0.251 340 T C 1.669 176.440 174.700 0.119 0.000 1.117 340 T CA 1.529 63.626 62.100 -0.004 0.000 1.034 340 T CB -0.507 68.323 68.868 -0.063 0.000 0.968 340 T HN 0.513 nan 8.240 nan 0.000 0.526 341 H N 2.669 121.822 119.070 0.137 0.000 2.357 341 H HA -0.030 4.523 4.556 -0.005 0.000 0.296 341 H C -0.761 174.651 175.328 0.141 0.000 1.108 341 H CA 1.212 57.358 56.048 0.164 0.000 1.273 341 H CB -0.791 29.069 29.762 0.164 0.000 1.367 341 H HN 0.453 nan 8.280 nan 0.000 0.498 342 P HA 0.091 nan 4.420 nan 0.000 0.266 342 P C 0.708 178.045 177.300 0.062 0.000 1.561 342 P CA 0.388 63.564 63.100 0.126 0.000 1.089 342 P CB 0.486 32.251 31.700 0.108 0.000 1.534 343 S N -0.097 115.632 115.700 0.050 0.000 2.440 343 S HA -0.121 4.346 4.470 -0.005 0.000 0.238 343 S C 1.789 176.383 174.600 -0.010 0.000 1.010 343 S CA 0.726 58.915 58.200 -0.018 0.000 0.972 343 S CB -1.459 61.704 63.200 -0.063 0.000 0.774 343 S HN 0.148 nan 8.310 nan 0.000 0.501 344 L N 0.900 122.131 121.223 0.013 0.000 2.549 344 L HA 0.030 4.367 4.340 -0.005 0.000 0.229 344 L C 2.866 179.760 176.870 0.040 0.000 1.158 344 L CA 0.603 55.454 54.840 0.017 0.000 0.842 344 L CB -0.709 41.361 42.059 0.018 0.000 0.952 344 L HN 0.481 nan 8.230 nan 0.000 0.452 345 A N 0.438 123.262 122.820 0.006 0.000 1.972 345 A HA -0.170 4.147 4.320 -0.005 0.000 0.219 345 A C 2.175 179.742 177.584 -0.028 0.000 1.169 345 A CA 1.308 53.332 52.037 -0.022 0.000 0.635 345 A CB -0.400 18.579 19.000 -0.035 0.000 0.810 345 A HN 0.370 nan 8.150 nan 0.000 0.446 346 I N 0.325 120.881 120.570 -0.024 0.000 2.113 346 I HA -0.144 4.023 4.170 -0.005 0.000 0.238 346 I C -0.338 175.776 176.117 -0.004 0.000 1.070 346 I CA 1.532 62.812 61.300 -0.034 0.000 1.332 346 I CB -1.018 36.965 38.000 -0.028 0.000 1.044 346 I HN 0.252 nan 8.210 nan 0.000 0.402 347 P HA -0.152 nan 4.420 nan 0.000 0.225 347 P C 1.233 178.532 177.300 -0.002 0.000 1.156 347 P CA 1.415 64.532 63.100 0.028 0.000 0.787 347 P CB 0.062 31.802 31.700 0.066 0.000 0.802 348 E N 0.353 120.615 120.200 0.104 0.000 2.107 348 E HA -0.133 4.214 4.350 -0.005 0.000 0.191 348 E C 1.906 178.469 176.600 -0.060 0.000 0.982 348 E CA 0.582 57.057 56.400 0.125 0.000 0.809 348 E CB -1.156 28.674 29.700 0.216 0.000 0.756 348 E HN 0.001 nan 8.360 nan 0.000 0.459 349 L N -0.044 121.112 121.223 -0.112 0.000 2.093 349 L HA -0.057 4.280 4.340 -0.005 0.000 0.208 349 L C 2.026 178.730 176.870 -0.277 0.000 1.085 349 L CA 1.670 56.381 54.840 -0.215 0.000 0.755 349 L CB -0.516 41.414 42.059 -0.214 0.000 0.904 349 L HN 0.219 nan 8.230 nan 0.000 0.435 350 M N -0.737 118.718 119.600 -0.242 0.000 2.117 350 M HA -0.201 4.276 4.480 -0.005 0.000 0.262 350 M C 2.432 178.550 176.300 -0.302 0.000 1.065 350 M CA 1.523 56.631 55.300 -0.321 0.000 1.114 350 M CB -1.157 31.238 32.600 -0.341 0.000 1.361 350 M HN 0.334 nan 8.290 nan 0.000 0.408 351 R N 0.065 120.412 120.500 -0.256 0.000 2.080 351 R HA -0.140 4.196 4.340 -0.005 0.000 0.236 351 R C 2.047 178.230 176.300 -0.195 0.000 1.137 351 R CA 1.778 57.733 56.100 -0.243 0.000 0.943 351 R CB -0.214 29.892 30.300 -0.323 0.000 0.846 351 R HN 0.211 nan 8.270 nan 0.000 0.431 352 V N 1.436 121.231 119.914 -0.198 0.000 2.295 352 V HA -0.252 3.865 4.120 -0.005 0.000 0.246 352 V C 2.411 178.333 176.094 -0.287 0.000 1.049 352 V CA 1.730 63.907 62.300 -0.205 0.000 1.024 352 V CB -0.421 31.269 31.823 -0.222 0.000 0.648 352 V HN 0.344 nan 8.190 nan 0.000 0.447 353 L N -0.599 120.390 121.223 -0.390 0.000 2.056 353 L HA -0.118 4.219 4.340 -0.005 0.000 0.207 353 L C 2.391 179.089 176.870 -0.286 0.000 1.078 353 L CA 1.101 55.660 54.840 -0.468 0.000 0.749 353 L CB -0.587 41.147 42.059 -0.542 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.642 119.136 119.914 -0.226 0.000 2.331 354 V HA -0.172 3.945 4.120 -0.005 0.000 0.242 354 V C 1.961 178.013 176.094 -0.070 0.000 1.034 354 V CA 1.620 63.848 62.300 -0.120 0.000 1.027 354 V CB -0.364 31.410 31.823 -0.081 0.000 0.667 354 V HN 0.337 nan 8.190 nan 0.000 0.457 355 D N 0.037 120.387 120.400 -0.084 0.000 2.149 355 D HA -0.016 4.621 4.640 -0.005 0.000 0.201 355 D C 2.032 178.304 176.300 -0.048 0.000 0.972 355 D CA 1.199 55.167 54.000 -0.054 0.000 0.835 355 D CB 0.064 40.827 40.800 -0.062 0.000 0.966 355 D HN 0.330 nan 8.370 nan 0.000 0.476 356 L N 0.141 121.322 121.223 -0.070 0.000 2.362 356 L HA 0.108 4.445 4.340 -0.005 0.000 0.204 356 L C 1.904 178.751 176.870 -0.038 0.000 1.060 356 L CA 0.463 55.274 54.840 -0.048 0.000 0.827 356 L CB 0.035 42.063 42.059 -0.051 0.000 1.027 356 L HN -0.204 nan 8.230 nan 0.000 0.474 357 E N 0.378 120.528 120.200 -0.082 0.000 2.435 357 E HA 0.004 4.351 4.350 -0.005 0.000 0.195 357 E C 0.157 176.751 176.600 -0.009 0.000 1.029 357 E CA 0.015 56.392 56.400 -0.037 0.000 0.865 357 E CB 0.263 29.864 29.700 -0.164 0.000 0.833 357 E HN 0.167 nan 8.360 nan 0.000 0.510 358 R N -0.422 120.058 120.500 -0.033 0.000 3.656 358 R HA -0.184 4.153 4.340 -0.005 0.000 0.297 358 R C -0.401 175.902 176.300 0.004 0.000 1.166 358 R CA 0.241 56.339 56.100 -0.004 0.000 0.799 358 R CB -2.858 27.453 30.300 0.020 0.000 1.285 358 R HN 0.079 nan 8.270 nan 0.000 0.477 359 L N 1.952 123.156 121.223 -0.031 0.000 2.439 359 L HA 0.194 4.531 4.340 -0.005 0.000 0.261 359 L C 1.427 178.303 176.870 0.011 0.000 1.153 359 L CA 0.054 54.887 54.840 -0.012 0.000 0.808 359 L CB 0.410 42.429 42.059 -0.066 0.000 1.126 359 L HN 0.129 nan 8.230 nan 0.000 0.460 360 D N 0.388 120.817 120.400 0.047 0.000 2.362 360 D HA -0.136 4.501 4.640 -0.005 0.000 0.242 360 D C 0.927 177.302 176.300 0.125 0.000 1.132 360 D CA -0.506 53.553 54.000 0.098 0.000 0.907 360 D CB 0.749 41.610 40.800 0.102 0.000 1.195 360 D HN 0.601 nan 8.370 nan 0.000 0.429 361 W N 2.090 123.398 121.300 0.012 0.000 2.315 361 W HA -0.249 4.408 4.660 -0.005 0.000 0.323 361 W C 1.063 177.630 176.519 0.080 0.000 1.233 361 W CA 2.049 59.408 57.345 0.024 0.000 1.267 361 W CB -0.403 29.050 29.460 -0.011 0.000 1.160 361 W HN 0.442 nan 8.180 nan 0.000 0.474 362 D N 0.005 120.634 120.400 0.381 0.000 2.133 362 D HA -0.233 4.404 4.640 -0.005 0.000 0.195 362 D C 2.032 178.446 176.300 0.190 0.000 0.997 362 D CA 2.026 56.211 54.000 0.309 0.000 0.840 362 D CB -0.565 40.375 40.800 0.232 0.000 0.947 362 D HN 0.228 nan 8.370 nan 0.000 0.452 363 K N 0.157 120.625 120.400 0.113 0.000 2.057 363 K HA -0.026 4.291 4.320 -0.005 0.000 0.206 363 K C 2.035 178.633 176.600 -0.003 0.000 1.050 363 K CA 1.039 57.364 56.287 0.062 0.000 0.935 363 K CB -0.013 32.520 32.500 0.054 0.000 0.715 363 K HN 0.041 nan 8.250 nan 0.000 0.439 364 A N 1.144 123.922 122.820 -0.071 0.000 1.902 364 A HA -0.212 4.105 4.320 -0.005 0.000 0.217 364 A C 1.982 179.467 177.584 -0.166 0.000 1.181 364 A CA 1.271 53.192 52.037 -0.193 0.000 0.623 364 A CB -1.077 17.738 19.000 -0.308 0.000 0.818 364 A HN 0.716 nan 8.150 nan 0.000 0.443 365 W N 0.689 121.781 121.300 -0.347 0.000 2.363 365 W HA -0.171 4.486 4.660 -0.005 0.000 0.296 365 W C 1.958 178.417 176.519 -0.100 0.000 1.212 365 W CA 1.828 59.019 57.345 -0.257 0.000 1.260 365 W CB -0.091 29.268 29.460 -0.169 0.000 1.131 365 W HN 0.616 nan 8.180 nan 0.000 0.530 366 E N 0.082 120.272 120.200 -0.015 0.000 2.051 366 E HA -0.221 4.126 4.350 -0.005 0.000 0.192 366 E C 2.060 178.580 176.600 -0.134 0.000 0.991 366 E CA 1.884 58.243 56.400 -0.070 0.000 0.799 366 E CB -0.308 29.409 29.700 0.029 0.000 0.748 366 E HN 0.052 nan 8.360 nan 0.000 0.449 367 V N 0.741 120.589 119.914 -0.109 0.000 2.295 367 V HA -0.259 3.858 4.120 -0.005 0.000 0.246 367 V C 2.390 178.403 176.094 -0.134 0.000 1.049 367 V CA 2.176 64.426 62.300 -0.084 0.000 1.024 367 V CB -0.780 30.987 31.823 -0.094 0.000 0.648 367 V HN 0.388 nan 8.190 nan 0.000 0.447 368 T N 0.183 114.584 114.554 -0.255 0.000 2.652 368 T HA -0.199 4.148 4.350 -0.005 0.000 0.267 368 T C 1.954 176.463 174.700 -0.319 0.000 1.039 368 T CA 1.884 63.804 62.100 -0.300 0.000 1.153 368 T CB -0.368 68.257 68.868 -0.405 0.000 0.863 368 T HN 0.276 nan 8.240 nan 0.000 0.428 369 V N 1.559 121.162 119.914 -0.517 0.000 2.332 369 V HA -0.209 3.908 4.120 -0.005 0.000 0.248 369 V C 2.378 178.421 176.094 -0.086 0.000 1.055 369 V CA 1.682 63.748 62.300 -0.389 0.000 1.038 369 V CB -0.550 30.977 31.823 -0.494 0.000 0.651 369 V HN 0.490 nan 8.190 nan 0.000 0.450 370 K N -0.067 120.262 120.400 -0.118 0.000 2.283 370 K HA -0.121 4.196 4.320 -0.005 0.000 0.202 370 K C 2.175 178.731 176.600 -0.074 0.000 1.048 370 K CA 1.647 57.847 56.287 -0.145 0.000 0.948 370 K CB -0.239 32.183 32.500 -0.130 0.000 0.742 370 K HN 0.679 nan 8.250 nan 0.000 0.458 371 T N -1.863 112.716 114.554 0.042 0.000 3.037 371 T HA 0.069 4.416 4.350 -0.005 0.000 0.252 371 T C 0.796 175.607 174.700 0.184 0.000 1.073 371 T CA -0.240 61.925 62.100 0.108 0.000 1.091 371 T CB -0.049 68.905 68.868 0.144 0.000 0.935 371 T HN 0.023 nan 8.240 nan 0.000 0.488 372 C N 2.494 121.887 119.300 0.154 0.000 2.365 372 C HA 0.922 5.379 4.460 -0.005 0.000 0.351 372 C C 0.564 175.601 174.990 0.077 0.000 1.240 372 C CA -0.783 58.299 59.018 0.107 0.000 2.062 372 C CB 0.275 28.013 27.740 -0.004 0.000 2.387 372 C HN 0.758 nan 8.230 nan 0.000 0.537 373 A N 2.174 125.033 122.820 0.066 0.000 2.486 373 A HA 0.748 5.065 4.320 -0.005 0.000 0.300 373 A C -1.552 176.100 177.584 0.112 0.000 1.048 373 A CA -0.411 51.617 52.037 -0.016 0.000 0.696 373 A CB 1.014 20.033 19.000 0.032 0.000 1.278 373 A HN 0.942 nan 8.150 nan 0.000 0.405 374 Y N 1.158 121.405 120.300 -0.089 0.000 2.409 374 Y HA 0.664 5.211 4.550 -0.005 0.000 0.343 374 Y C -0.514 175.368 175.900 -0.031 0.000 0.973 374 Y CA -0.328 57.734 58.100 -0.063 0.000 1.064 374 Y CB 2.103 40.485 38.460 -0.129 0.000 1.207 374 Y HN 0.574 nan 8.280 nan 0.000 0.452 375 T N 6.475 120.787 114.554 -0.402 0.000 2.779 375 T HA 0.206 4.553 4.350 -0.005 0.000 0.280 375 T C -0.913 173.278 174.700 -0.849 0.000 0.987 375 T CA -0.845 60.954 62.100 -0.501 0.000 0.966 375 T CB 0.561 69.382 68.868 -0.078 0.000 0.933 375 T HN 0.658 nan 8.240 nan 0.000 0.442 376 N N 1.631 119.851 118.700 -0.801 0.000 2.473 376 N HA 0.159 4.896 4.740 -0.005 0.000 0.291 376 N C -0.042 175.270 175.510 -0.331 0.000 1.083 376 N CA -0.384 52.419 53.050 -0.413 0.000 0.951 376 N CB 0.880 39.319 38.487 -0.080 0.000 1.164 376 N HN 0.666 nan 8.380 nan 0.000 0.480 377 H N 0.855 119.940 119.070 0.026 0.000 2.893 377 H HA 0.180 4.733 4.556 -0.005 0.000 0.270 377 H C -0.192 175.034 175.328 -0.170 0.000 1.095 377 H CA -0.020 55.985 56.048 -0.071 0.000 1.186 377 H CB 1.100 30.832 29.762 -0.050 0.000 1.562 377 H HN 0.542 nan 8.280 nan 0.000 0.536 378 T N 0.198 114.754 114.554 0.002 0.000 2.827 378 T HA 0.215 4.561 4.350 -0.005 0.000 0.328 378 T C 0.351 175.050 174.700 -0.002 0.000 1.598 378 T CA -0.318 61.737 62.100 -0.076 0.000 1.043 378 T CB 1.237 70.049 68.868 -0.092 0.000 1.447 378 T HN -0.051 nan 8.240 nan 0.000 0.491 379 V N 1.248 121.131 119.914 -0.051 0.000 3.528 379 V HA 0.574 4.691 4.120 -0.005 0.000 0.294 379 V C 0.788 176.840 176.094 -0.071 0.000 1.404 379 V CA 0.013 62.271 62.300 -0.070 0.000 1.065 379 V CB -0.437 31.346 31.823 -0.068 0.000 0.904 379 V HN 0.748 nan 8.190 nan 0.000 0.435 380 I N 2.641 123.163 120.570 -0.080 0.000 2.517 380 I HA 0.165 4.332 4.170 -0.005 0.000 0.285 380 I C -0.964 175.146 176.117 -0.012 0.000 1.106 380 I CA -1.324 59.953 61.300 -0.039 0.000 1.402 380 I CB 1.119 39.082 38.000 -0.061 0.000 1.399 380 I HN 0.096 nan 8.210 nan 0.000 0.535 381 P HA -0.253 nan 4.420 nan 0.000 0.216 381 P C 1.321 178.614 177.300 -0.012 0.000 1.157 381 P CA 1.283 64.384 63.100 0.002 0.000 0.880 381 P CB -0.025 31.690 31.700 0.025 0.000 0.791 382 E N -0.039 120.186 120.200 0.042 0.000 2.333 382 E HA -0.139 4.208 4.350 -0.005 0.000 0.198 382 E C 1.574 178.112 176.600 -0.103 0.000 1.007 382 E CA 1.581 57.984 56.400 0.005 0.000 0.845 382 E CB -0.850 29.047 29.700 0.328 0.000 0.766 382 E HN 0.217 nan 8.360 nan 0.000 0.507 383 A N 0.671 123.479 122.820 -0.020 0.000 2.195 383 A HA 0.206 4.523 4.320 -0.005 0.000 0.210 383 A C 0.915 178.471 177.584 -0.046 0.000 1.165 383 A CA -0.253 51.787 52.037 0.005 0.000 0.806 383 A CB 0.013 19.037 19.000 0.040 0.000 0.847 383 A HN 0.115 nan 8.150 nan 0.000 0.482 384 L N 1.391 122.544 121.223 -0.117 0.000 2.380 384 L HA 0.182 4.519 4.340 -0.005 0.000 0.273 384 L C 0.319 176.872 176.870 -0.528 0.000 1.138 384 L CA 0.243 54.963 54.840 -0.200 0.000 0.832 384 L CB 0.404 42.382 42.059 -0.135 0.000 1.124 384 L HN 0.279 nan 8.230 nan 0.000 0.454 385 E N 4.320 124.106 120.200 -0.689 0.000 2.257 385 E HA 0.251 4.598 4.350 -0.005 0.000 0.278 385 E C -0.434 175.548 176.600 -1.030 0.000 1.049 385 E CA -0.123 55.409 56.400 -1.447 0.000 0.876 385 E CB 0.555 29.717 29.700 -0.897 0.000 1.035 385 E HN 0.336 nan 8.360 nan 0.000 0.419 386 R N 3.905 123.694 120.500 -1.184 0.000 2.576 386 R HA 0.164 4.501 4.340 -0.005 0.000 0.283 386 R C -1.269 174.866 176.300 -0.276 0.000 1.493 386 R CA -0.583 55.230 56.100 -0.478 0.000 1.170 386 R CB 0.776 30.911 30.300 -0.275 0.000 1.189 386 R HN 0.462 nan 8.270 nan 0.000 0.542 387 W N 4.207 125.458 121.300 -0.081 0.000 2.304 387 W HA 0.239 4.896 4.660 -0.005 0.000 0.313 387 W C -1.907 174.578 176.519 -0.057 0.000 1.323 387 W CA -1.938 55.418 57.345 0.017 0.000 1.223 387 W CB 0.507 29.957 29.460 -0.016 0.000 1.237 387 W HN 0.226 nan 8.180 nan 0.000 0.535 388 P HA -0.089 nan 4.420 nan 0.000 0.265 388 P C 0.802 178.009 177.300 -0.154 0.000 1.193 388 P CA 0.194 63.228 63.100 -0.110 0.000 0.765 388 P CB 0.777 32.234 31.700 -0.405 0.000 0.823 389 V N 3.206 123.071 119.914 -0.082 0.000 2.407 389 V HA -0.283 3.834 4.120 -0.005 0.000 0.248 389 V C 2.112 178.199 176.094 -0.012 0.000 1.055 389 V CA 2.499 64.790 62.300 -0.016 0.000 1.049 389 V CB -1.716 30.164 31.823 0.096 0.000 0.662 389 V HN 0.758 nan 8.190 nan 0.000 0.455 390 H N -0.802 118.328 119.070 0.100 0.000 2.456 390 H HA -0.134 4.419 4.556 -0.005 0.000 0.296 390 H C 1.848 177.227 175.328 0.085 0.000 1.079 390 H CA 1.785 57.887 56.048 0.090 0.000 1.322 390 H CB -0.516 29.299 29.762 0.089 0.000 1.388 390 H HN 0.363 nan 8.280 nan 0.000 0.538 391 L N 0.290 121.461 121.223 -0.088 0.000 2.095 391 L HA 0.052 4.389 4.340 -0.005 0.000 0.204 391 L C 2.148 179.008 176.870 -0.017 0.000 1.080 391 L CA 1.236 56.105 54.840 0.047 0.000 0.759 391 L CB -0.563 41.508 42.059 0.021 0.000 0.914 391 L HN 0.392 nan 8.230 nan 0.000 0.439 392 L N -0.770 120.406 121.223 -0.079 0.000 2.093 392 L HA -0.188 4.149 4.340 -0.005 0.000 0.208 392 L C 2.491 179.307 176.870 -0.091 0.000 1.085 392 L CA 1.338 56.092 54.840 -0.143 0.000 0.755 392 L CB -0.517 41.441 42.059 -0.169 0.000 0.904 392 L HN 0.393 nan 8.230 nan 0.000 0.435 393 E N -0.269 119.921 120.200 -0.016 0.000 2.118 393 E HA -0.206 4.141 4.350 -0.005 0.000 0.195 393 E C 1.893 178.536 176.600 0.072 0.000 0.992 393 E CA 1.836 58.256 56.400 0.033 0.000 0.804 393 E CB 0.163 29.920 29.700 0.095 0.000 0.741 393 E HN 0.414 nan 8.360 nan 0.000 0.458 394 T N 0.657 115.278 114.554 0.112 0.000 2.852 394 T HA -0.062 4.285 4.350 -0.005 0.000 0.256 394 T C 1.705 176.533 174.700 0.214 0.000 1.038 394 T CA 0.692 62.907 62.100 0.192 0.000 1.141 394 T CB -0.097 68.912 68.868 0.236 0.000 0.869 394 T HN 0.079 nan 8.240 nan 0.000 0.439 395 L N 0.094 121.345 121.223 0.047 0.000 2.127 395 L HA 0.352 4.689 4.340 -0.005 0.000 0.203 395 L C 0.351 177.161 176.870 -0.099 0.000 1.080 395 L CA 1.565 56.315 54.840 -0.151 0.000 0.768 395 L CB 0.046 41.969 42.059 -0.226 0.000 0.924 395 L HN 0.163 nan 8.230 nan 0.000 0.444 396 L N 0.897 122.017 121.223 -0.172 0.000 2.551 396 L HA 0.298 4.635 4.340 -0.005 0.000 0.248 396 L C -1.651 175.038 176.870 -0.301 0.000 1.509 396 L CA -1.010 53.633 54.840 -0.328 0.000 0.842 396 L CB 0.859 42.564 42.059 -0.590 0.000 1.087 396 L HN -0.049 nan 8.230 nan 0.000 0.512 397 P HA -0.239 nan 4.420 nan 0.000 0.216 397 P C 1.476 178.592 177.300 -0.306 0.000 1.153 397 P CA 1.360 64.345 63.100 -0.191 0.000 0.858 397 P CB 0.383 32.044 31.700 -0.064 0.000 0.789 398 R N -0.349 119.790 120.500 -0.601 0.000 2.092 398 R HA -0.149 4.188 4.340 -0.005 0.000 0.231 398 R C 2.385 178.388 176.300 -0.495 0.000 1.119 398 R CA 1.605 57.356 56.100 -0.582 0.000 0.970 398 R CB -1.422 28.355 30.300 -0.872 0.000 0.864 398 R HN 0.233 nan 8.270 nan 0.000 0.440 399 H N -0.470 118.286 119.070 -0.524 0.000 2.387 399 H HA -0.066 4.487 4.556 -0.005 0.000 0.299 399 H C 1.577 176.730 175.328 -0.292 0.000 1.090 399 H CA 1.529 57.353 56.048 -0.372 0.000 1.332 399 H CB -0.158 29.349 29.762 -0.426 0.000 1.386 399 H HN 0.140 nan 8.280 nan 0.000 0.516 400 L N 0.820 121.920 121.223 -0.206 0.000 2.046 400 L HA -0.183 4.154 4.340 -0.005 0.000 0.208 400 L C 1.882 178.563 176.870 -0.315 0.000 1.077 400 L CA 1.630 56.282 54.840 -0.313 0.000 0.747 400 L CB -0.459 41.434 42.059 -0.278 0.000 0.896 400 L HN 0.266 nan 8.230 nan 0.000 0.432 401 Q N -0.642 119.083 119.800 -0.126 0.000 2.084 401 Q HA -0.188 4.149 4.340 -0.005 0.000 0.202 401 Q C 2.314 178.338 176.000 0.040 0.000 0.978 401 Q CA 1.958 57.781 55.803 0.033 0.000 0.844 401 Q CB -0.218 28.544 28.738 0.040 0.000 0.898 401 Q HN 0.567 nan 8.270 nan 0.000 0.426 402 I N 0.494 121.060 120.570 -0.005 0.000 2.315 402 I HA -0.267 3.900 4.170 -0.005 0.000 0.248 402 I C 2.147 178.340 176.117 0.126 0.000 1.117 402 I CA 1.025 62.401 61.300 0.127 0.000 1.404 402 I CB -0.145 37.865 38.000 0.017 0.000 1.071 402 I HN 0.205 nan 8.210 nan 0.000 0.419 403 I N -0.483 120.076 120.570 -0.019 0.000 2.315 403 I HA -0.304 3.863 4.170 -0.005 0.000 0.248 403 I C 2.373 178.500 176.117 0.017 0.000 1.117 403 I CA 1.393 62.668 61.300 -0.040 0.000 1.404 403 I CB -0.360 37.541 38.000 -0.165 0.000 1.071 403 I HN 0.161 nan 8.210 nan 0.000 0.419 404 Y N 0.851 121.158 120.300 0.010 0.000 2.242 404 Y HA -0.247 4.300 4.550 -0.005 0.000 0.291 404 Y C 2.584 178.453 175.900 -0.052 0.000 1.137 404 Y CA 1.387 59.480 58.100 -0.012 0.000 1.181 404 Y CB -0.710 37.736 38.460 -0.024 0.000 0.989 404 Y HN 0.177 nan 8.280 nan 0.000 0.527 405 E N 0.482 120.728 120.200 0.077 0.000 2.072 405 E HA -0.142 4.205 4.350 -0.005 0.000 0.191 405 E C 2.036 178.554 176.600 -0.136 0.000 0.985 405 E CA 1.282 57.586 56.400 -0.160 0.000 0.801 405 E CB -0.541 28.905 29.700 -0.423 0.000 0.750 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.613 121.205 120.570 0.036 0.000 2.226 406 I HA -0.278 3.889 4.170 -0.005 0.000 0.245 406 I C 2.261 178.375 176.117 -0.004 0.000 1.100 406 I CA 1.384 62.656 61.300 -0.046 0.000 1.374 406 I CB -0.403 37.584 38.000 -0.021 0.000 1.057 406 I HN 0.210 nan 8.210 nan 0.000 0.413 407 N N 0.757 119.505 118.700 0.080 0.000 2.120 407 N HA -0.265 4.472 4.740 -0.005 0.000 0.188 407 N C 1.869 177.462 175.510 0.138 0.000 1.024 407 N CA 1.533 54.681 53.050 0.163 0.000 0.852 407 N CB -0.124 38.477 38.487 0.190 0.000 1.003 407 N HN 0.295 nan 8.380 nan 0.000 0.424 408 Q N -0.049 119.778 119.800 0.045 0.000 2.061 408 Q HA -0.114 4.223 4.340 -0.005 0.000 0.204 408 Q C 2.047 178.029 176.000 -0.031 0.000 0.984 408 Q CA 1.498 57.292 55.803 -0.015 0.000 0.846 408 Q CB 0.008 28.697 28.738 -0.082 0.000 0.902 408 Q HN 0.365 nan 8.270 nan 0.000 0.421 409 R N -0.753 119.704 120.500 -0.072 0.000 2.092 409 R HA -0.128 4.209 4.340 -0.005 0.000 0.231 409 R C 2.140 178.461 176.300 0.035 0.000 1.119 409 R CA 1.327 57.382 56.100 -0.076 0.000 0.970 409 R CB -0.353 29.842 30.300 -0.175 0.000 0.864 409 R HN 0.271 nan 8.270 nan 0.000 0.440 410 F N 1.423 121.342 119.950 -0.052 0.000 2.113 410 F HA -0.092 4.432 4.527 -0.005 0.000 0.297 410 F C 1.804 177.626 175.800 0.037 0.000 1.103 410 F CA 1.343 59.362 58.000 0.033 0.000 1.248 410 F CB -0.234 38.818 39.000 0.086 0.000 0.999 410 F HN -0.119 nan 8.300 nan 0.000 0.475 411 L N 0.010 121.247 121.223 0.023 0.000 2.265 411 L HA -0.229 4.108 4.340 -0.005 0.000 0.215 411 L C 1.916 178.721 176.870 -0.109 0.000 1.117 411 L CA 1.408 56.197 54.840 -0.084 0.000 0.782 411 L CB -0.863 41.210 42.059 0.023 0.000 0.914 411 L HN 0.280 nan 8.230 nan 0.000 0.441 412 N N -0.279 118.374 118.700 -0.080 0.000 2.270 412 N HA -0.115 4.622 4.740 -0.005 0.000 0.181 412 N C 1.895 177.348 175.510 -0.094 0.000 1.016 412 N CA 0.537 53.543 53.050 -0.074 0.000 0.870 412 N CB 0.087 38.537 38.487 -0.061 0.000 0.979 412 N HN 0.298 nan 8.380 nan 0.000 0.431 413 R N 0.516 120.939 120.500 -0.128 0.000 2.075 413 R HA -0.022 4.315 4.340 -0.005 0.000 0.232 413 R C 2.160 178.356 176.300 -0.173 0.000 1.126 413 R CA 0.809 56.829 56.100 -0.134 0.000 0.963 413 R CB -0.304 29.921 30.300 -0.126 0.000 0.858 413 R HN 0.072 nan 8.270 nan 0.000 0.435 414 V N 1.118 120.877 119.914 -0.258 0.000 2.295 414 V HA -0.233 3.884 4.120 -0.005 0.000 0.246 414 V C 2.460 178.542 176.094 -0.021 0.000 1.049 414 V CA 1.982 64.192 62.300 -0.150 0.000 1.024 414 V CB -0.743 30.929 31.823 -0.252 0.000 0.648 414 V HN 0.391 nan 8.190 nan 0.000 0.447 415 A N 0.020 122.805 122.820 -0.058 0.000 1.933 415 A HA -0.109 4.208 4.320 -0.005 0.000 0.218 415 A C 2.377 179.935 177.584 -0.043 0.000 1.175 415 A CA 2.086 54.107 52.037 -0.028 0.000 0.628 415 A CB -0.677 18.299 19.000 -0.040 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.444 416 A N -0.598 122.176 122.820 -0.076 0.000 1.968 416 A HA 0.307 4.624 4.320 -0.005 0.000 0.217 416 A C 2.361 179.850 177.584 -0.157 0.000 1.169 416 A CA 1.682 53.662 52.037 -0.095 0.000 0.638 416 A CB -0.645 18.304 19.000 -0.086 0.000 0.812 416 A HN 0.953 nan 8.150 nan 0.000 0.446 417 A N -1.670 121.011 122.820 -0.233 0.000 1.975 417 A HA 0.387 4.704 4.320 -0.005 0.000 0.215 417 A C 0.437 177.545 177.584 -0.792 0.000 1.170 417 A CA 0.512 52.237 52.037 -0.520 0.000 0.656 417 A CB -0.134 18.486 19.000 -0.632 0.000 0.821 417 A HN 0.412 nan 8.150 nan 0.000 0.449 418 F N -0.085 119.817 119.950 -0.079 0.000 2.584 418 F HA 0.344 4.868 4.527 -0.005 0.000 0.328 418 F C -2.780 172.983 175.800 -0.062 0.000 1.407 418 F CA -2.899 55.060 58.000 -0.070 0.000 1.145 418 F CB 0.662 39.612 39.000 -0.083 0.000 1.440 418 F HN -0.073 nan 8.300 nan 0.000 0.580 419 P HA 0.151 nan 4.420 nan 0.000 0.262 419 P C 1.022 178.342 177.300 0.032 0.000 1.182 419 P CA 1.223 64.333 63.100 0.016 0.000 0.761 419 P CB 0.734 32.425 31.700 -0.015 0.000 0.795 420 G N 2.673 111.484 108.800 0.020 0.000 2.205 420 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.261 420 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.261 420 G C 0.370 175.279 174.900 0.016 0.000 0.980 420 G CA 0.053 45.161 45.100 0.014 0.000 0.632 420 G HN 0.603 nan 8.290 nan 0.000 0.533 421 D N 1.250 121.668 120.400 0.031 0.000 2.551 421 D HA 0.440 5.077 4.640 -0.005 0.000 0.223 421 D C 1.779 178.071 176.300 -0.014 0.000 1.144 421 D CA 0.178 54.182 54.000 0.006 0.000 1.025 421 D CB 0.428 41.231 40.800 0.006 0.000 1.085 421 D HN 0.111 nan 8.370 nan 0.000 0.506 422 V N 2.502 122.409 119.914 -0.012 0.000 2.407 422 V HA -0.200 3.917 4.120 -0.005 0.000 0.248 422 V C 1.794 177.877 176.094 -0.019 0.000 1.055 422 V CA 1.400 63.692 62.300 -0.013 0.000 1.049 422 V CB -0.168 31.651 31.823 -0.007 0.000 0.662 422 V HN 0.430 nan 8.190 nan 0.000 0.455 423 D N -0.185 120.200 120.400 -0.025 0.000 2.144 423 D HA -0.164 4.473 4.640 -0.005 0.000 0.200 423 D C 2.271 178.544 176.300 -0.045 0.000 0.978 423 D CA 1.128 55.112 54.000 -0.026 0.000 0.833 423 D CB -0.224 40.559 40.800 -0.028 0.000 0.961 423 D HN 0.368 nan 8.370 nan 0.000 0.470 424 R N 0.644 121.093 120.500 -0.084 0.000 2.081 424 R HA -0.061 4.276 4.340 -0.005 0.000 0.235 424 R C 2.448 178.682 176.300 -0.109 0.000 1.131 424 R CA 0.644 56.659 56.100 -0.142 0.000 0.960 424 R CB -0.251 29.907 30.300 -0.238 0.000 0.856 424 R HN 0.154 nan 8.270 nan 0.000 0.436 425 L N 0.276 121.460 121.223 -0.065 0.000 2.083 425 L HA -0.181 4.156 4.340 -0.005 0.000 0.209 425 L C 2.906 179.782 176.870 0.010 0.000 1.083 425 L CA 1.563 56.382 54.840 -0.034 0.000 0.752 425 L CB -0.491 41.557 42.059 -0.018 0.000 0.899 425 L HN 0.283 nan 8.230 nan 0.000 0.433 426 R N 0.420 120.928 120.500 0.014 0.000 2.075 426 R HA -0.125 4.212 4.340 -0.005 0.000 0.232 426 R C 2.460 178.810 176.300 0.082 0.000 1.126 426 R CA 1.202 57.331 56.100 0.048 0.000 0.963 426 R CB -0.038 30.284 30.300 0.036 0.000 0.858 426 R HN 0.286 nan 8.270 nan 0.000 0.435 427 R N -0.224 120.307 120.500 0.052 0.000 2.092 427 R HA -0.039 4.298 4.340 -0.005 0.000 0.231 427 R C 2.185 178.570 176.300 0.141 0.000 1.119 427 R CA 1.650 57.807 56.100 0.095 0.000 0.970 427 R CB -0.134 30.181 30.300 0.026 0.000 0.864 427 R HN 0.319 nan 8.270 nan 0.000 0.440 428 M N 0.239 119.839 119.600 -0.001 0.000 2.514 428 M HA 0.037 4.514 4.480 -0.005 0.000 0.258 428 M C 0.935 177.394 176.300 0.266 0.000 1.119 428 M CA 0.049 55.301 55.300 -0.079 0.000 1.111 428 M CB 0.332 32.731 32.600 -0.335 0.000 1.390 428 M HN -0.069 nan 8.290 nan 0.000 0.475 429 S N 1.021 116.886 115.700 0.273 0.000 2.558 429 S HA 0.038 4.505 4.470 -0.005 0.000 0.287 429 S C 1.097 175.955 174.600 0.430 0.000 1.321 429 S CA -0.181 58.208 58.200 0.314 0.000 1.048 429 S CB 0.557 63.883 63.200 0.210 0.000 0.844 429 S HN 0.365 nan 8.310 nan 0.000 0.512 430 L N 3.840 125.262 121.223 0.332 0.000 2.395 430 L HA 0.126 4.463 4.340 -0.005 0.000 0.218 430 L C 0.142 177.113 176.870 0.169 0.000 1.130 430 L CA 0.231 55.224 54.840 0.255 0.000 0.826 430 L CB -0.253 41.898 42.059 0.153 0.000 0.941 430 L HN 0.387 nan 8.230 nan 0.000 0.451 431 V N 0.669 120.698 119.914 0.191 0.000 2.370 431 V HA 0.194 4.311 4.120 -0.005 0.000 0.279 431 V C -0.011 176.165 176.094 0.137 0.000 1.029 431 V CA -0.656 61.742 62.300 0.163 0.000 0.870 431 V CB 1.512 33.468 31.823 0.221 0.000 0.984 431 V HN 0.159 nan 8.190 nan 0.000 0.451 432 E N 3.854 124.112 120.200 0.098 0.000 2.174 432 E HA 0.376 4.723 4.350 -0.005 0.000 0.282 432 E C -0.523 176.124 176.600 0.078 0.000 0.992 432 E CA -0.627 55.822 56.400 0.082 0.000 0.803 432 E CB 1.658 31.385 29.700 0.045 0.000 1.090 432 E HN 0.581 nan 8.360 nan 0.000 0.396 433 E N 0.994 121.239 120.200 0.074 0.000 2.322 433 E HA 0.568 4.915 4.350 -0.005 0.000 0.257 433 E C 0.561 177.197 176.600 0.060 0.000 1.155 433 E CA -0.291 56.149 56.400 0.066 0.000 0.936 433 E CB 1.341 31.075 29.700 0.057 0.000 1.130 433 E HN 0.749 nan 8.360 nan 0.000 0.465 434 G N -0.626 108.208 108.800 0.057 0.000 2.306 434 G HA2 0.037 3.994 3.960 -0.005 0.000 0.262 434 G HA3 0.037 3.994 3.960 -0.005 0.000 0.262 434 G C 0.622 175.557 174.900 0.059 0.000 1.263 434 G CA 0.442 45.574 45.100 0.053 0.000 1.088 434 G HN 0.545 nan 8.290 nan 0.000 0.489 435 A N -0.863 121.991 122.820 0.058 0.000 1.883 435 A HA 0.191 4.508 4.320 -0.005 0.000 0.222 435 A C 1.824 179.456 177.584 0.080 0.000 1.339 435 A CA 4.867 56.942 52.037 0.063 0.000 0.692 435 A CB -1.397 17.642 19.000 0.064 0.000 0.845 435 A HN 2.477 nan 8.150 nan 0.000 0.467 436 V N -3.810 116.160 119.914 0.093 0.000 2.531 436 V HA 0.584 4.701 4.120 -0.005 0.000 0.301 436 V C -0.514 175.642 176.094 0.104 0.000 1.034 436 V CA -1.338 61.037 62.300 0.124 0.000 0.865 436 V CB 1.453 33.379 31.823 0.172 0.000 0.995 436 V HN 0.391 nan 8.190 nan 0.000 0.424 437 K N 3.848 124.314 120.400 0.110 0.000 2.448 437 K HA 0.431 4.748 4.320 -0.005 0.000 0.278 437 K C -0.211 176.437 176.600 0.080 0.000 1.009 437 K CA 0.144 56.491 56.287 0.100 0.000 0.995 437 K CB 0.571 33.146 32.500 0.125 0.000 0.917 437 K HN 0.735 nan 8.250 nan 0.000 0.481 438 R N 1.700 122.240 120.500 0.067 0.000 2.808 438 R HA 0.462 4.799 4.340 -0.005 0.000 0.272 438 R C -0.782 175.543 176.300 0.042 0.000 0.995 438 R CA -1.024 55.103 56.100 0.045 0.000 0.917 438 R CB 1.323 31.634 30.300 0.019 0.000 1.217 438 R HN 0.354 nan 8.270 nan 0.000 0.471 439 I N 1.966 122.558 120.570 0.036 0.000 2.321 439 I HA 0.161 4.328 4.170 -0.005 0.000 0.291 439 I C -0.183 175.912 176.117 -0.037 0.000 0.998 439 I CA -0.734 60.576 61.300 0.017 0.000 1.227 439 I CB 1.176 39.184 38.000 0.013 0.000 1.368 439 I HN 0.513 nan 8.210 nan 0.000 0.466 440 N N 7.170 125.816 118.700 -0.089 0.000 2.415 440 N HA 0.094 4.831 4.740 -0.005 0.000 0.246 440 N C 0.808 176.210 175.510 -0.179 0.000 1.078 440 N CA -0.337 52.579 53.050 -0.222 0.000 0.942 440 N CB 0.980 39.184 38.487 -0.472 0.000 1.140 440 N HN 0.368 nan 8.380 nan 0.000 0.501 441 M N 2.470 121.969 119.600 -0.168 0.000 2.296 441 M HA -0.060 4.417 4.480 -0.005 0.000 0.265 441 M C 1.908 178.061 176.300 -0.246 0.000 1.064 441 M CA 0.693 55.908 55.300 -0.142 0.000 1.109 441 M CB -1.553 31.004 32.600 -0.071 0.000 1.396 441 M HN 0.607 nan 8.290 nan 0.000 0.430 442 A N -0.456 122.217 122.820 -0.246 0.000 1.898 442 A HA -0.165 4.152 4.320 -0.005 0.000 0.216 442 A C 1.987 179.366 177.584 -0.343 0.000 1.181 442 A CA 1.414 53.278 52.037 -0.289 0.000 0.620 442 A CB -1.104 17.921 19.000 0.041 0.000 0.819 442 A HN 0.595 nan 8.150 nan 0.000 0.442 443 H N -1.506 117.354 119.070 -0.349 0.000 2.389 443 H HA -0.095 4.458 4.556 -0.005 0.000 0.299 443 H C 2.084 177.185 175.328 -0.378 0.000 1.081 443 H CA 1.060 56.860 56.048 -0.413 0.000 1.345 443 H CB 0.002 29.731 29.762 -0.055 0.000 1.393 443 H HN 0.437 nan 8.280 nan 0.000 0.520 444 L N 0.660 121.796 121.223 -0.144 0.000 2.017 444 L HA -0.159 4.178 4.340 -0.005 0.000 0.208 444 L C 2.254 178.985 176.870 -0.232 0.000 1.073 444 L CA 1.442 56.195 54.840 -0.145 0.000 0.745 444 L CB -0.812 41.189 42.059 -0.096 0.000 0.894 444 L HN 0.279 nan 8.230 nan 0.000 0.432 445 C N -0.342 118.726 119.300 -0.386 0.000 2.429 445 C HA -0.124 4.333 4.460 -0.005 0.000 0.277 445 C C 2.729 177.473 174.990 -0.410 0.000 1.262 445 C CA 0.980 59.699 59.018 -0.499 0.000 1.733 445 C CB -0.919 26.166 27.740 -1.091 0.000 2.010 445 C HN 0.610 nan 8.230 nan 0.000 0.483 446 I N 1.315 121.592 120.570 -0.489 0.000 2.202 446 I HA -0.182 3.985 4.170 -0.005 0.000 0.242 446 I C 2.766 178.715 176.117 -0.281 0.000 1.091 446 I CA 1.600 62.640 61.300 -0.433 0.000 1.368 446 I CB -0.607 36.973 38.000 -0.700 0.000 1.058 446 I HN 0.259 nan 8.210 nan 0.000 0.410 447 A N 0.660 123.282 122.820 -0.330 0.000 1.933 447 A HA -0.106 4.211 4.320 -0.005 0.000 0.218 447 A C 2.191 179.800 177.584 0.042 0.000 1.175 447 A CA 1.901 53.783 52.037 -0.258 0.000 0.628 447 A CB -1.142 17.510 19.000 -0.579 0.000 0.814 447 A HN 0.483 nan 8.150 nan 0.000 0.444 448 G N -1.145 107.621 108.800 -0.057 0.000 3.371 448 G HA2 0.425 4.382 3.960 -0.005 0.000 0.248 448 G HA3 0.425 4.382 3.960 -0.005 0.000 0.248 448 G C 0.060 174.793 174.900 -0.277 0.000 1.161 448 G CA 0.462 45.412 45.100 -0.250 0.000 0.796 448 G HN 0.339 nan 8.290 nan 0.000 0.539 449 S N -0.395 115.194 115.700 -0.185 0.000 2.536 449 S HA 0.336 4.803 4.470 -0.005 0.000 0.298 449 S C 0.666 175.203 174.600 -0.105 0.000 1.083 449 S CA -0.725 57.391 58.200 -0.140 0.000 0.995 449 S CB 1.277 64.397 63.200 -0.133 0.000 1.058 449 S HN 0.503 nan 8.310 nan 0.000 0.488 450 H N -0.215 118.807 119.070 -0.080 0.000 2.548 450 H HA 0.532 5.085 4.556 -0.005 0.000 0.265 450 H C 0.094 175.391 175.328 -0.052 0.000 0.969 450 H CA 0.176 56.200 56.048 -0.040 0.000 1.155 450 H CB 0.150 29.909 29.762 -0.005 0.000 1.394 450 H HN 0.505 nan 8.280 nan 0.000 0.570 451 A N 0.959 123.462 122.820 -0.527 0.000 2.488 451 A HA 0.560 4.877 4.320 -0.005 0.000 0.298 451 A C -1.453 175.922 177.584 -0.349 0.000 1.044 451 A CA -0.568 51.215 52.037 -0.423 0.000 0.693 451 A CB 2.231 20.949 19.000 -0.470 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.159 123.838 119.914 -0.391 0.000 2.577 452 V HA 0.545 4.662 4.120 -0.005 0.000 0.303 452 V C -0.828 175.088 176.094 -0.297 0.000 1.042 452 V CA -0.757 61.316 62.300 -0.379 0.000 0.872 452 V CB 1.866 33.320 31.823 -0.614 0.000 0.998 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.096 121.639 118.700 -0.262 0.000 2.262 453 N HA 0.616 5.353 4.740 -0.005 0.000 0.295 453 N C -0.284 175.130 175.510 -0.160 0.000 1.161 453 N CA -0.382 52.555 53.050 -0.188 0.000 0.767 453 N CB 2.860 41.207 38.487 -0.232 0.000 1.499 453 N HN 0.639 nan 8.380 nan 0.000 0.476 454 G N -0.822 107.917 108.800 -0.102 0.000 2.522 454 G HA2 0.425 4.382 3.960 -0.005 0.000 0.304 454 G HA3 0.425 4.382 3.960 -0.005 0.000 0.304 454 G C 0.722 175.686 174.900 0.108 0.000 1.210 454 G CA -0.534 44.547 45.100 -0.032 0.000 0.960 454 G HN 0.638 nan 8.290 nan 0.000 0.497 455 V N -3.495 116.607 119.914 0.314 0.000 3.319 455 V HA 0.697 4.814 4.120 -0.005 0.000 0.317 455 V C 0.529 176.710 176.094 0.145 0.000 1.411 455 V CA 0.273 62.670 62.300 0.162 0.000 1.112 455 V CB -0.799 31.085 31.823 0.102 0.000 1.031 455 V HN 1.332 nan 8.190 nan 0.000 0.448 456 A N -0.139 122.774 122.820 0.156 0.000 2.594 456 A HA 0.657 4.974 4.320 -0.005 0.000 0.296 456 A C 0.579 178.212 177.584 0.082 0.000 1.061 456 A CA -0.160 51.946 52.037 0.114 0.000 0.689 456 A CB 1.231 20.291 19.000 0.099 0.000 1.280 456 A HN 0.064 nan 8.150 nan 0.000 0.406 457 R N 0.956 121.483 120.500 0.045 0.000 2.096 457 R HA -0.161 4.176 4.340 -0.005 0.000 0.240 457 R C 1.719 178.016 176.300 -0.005 0.000 1.139 457 R CA 2.352 58.456 56.100 0.006 0.000 0.952 457 R CB -0.238 30.061 30.300 -0.001 0.000 0.854 457 R HN 0.809 nan 8.270 nan 0.000 0.436 458 I N 0.071 120.648 120.570 0.012 0.000 2.394 458 I HA -0.276 3.891 4.170 -0.005 0.000 0.251 458 I C 2.215 178.340 176.117 0.013 0.000 1.136 458 I CA 1.708 63.008 61.300 -0.001 0.000 1.425 458 I CB -0.172 37.828 38.000 -0.000 0.000 1.079 458 I HN 0.352 nan 8.210 nan 0.000 0.425 459 H N 0.261 119.299 119.070 -0.054 0.000 2.326 459 H HA -0.101 4.452 4.556 -0.005 0.000 0.301 459 H C 2.258 177.540 175.328 -0.076 0.000 1.081 459 H CA 2.152 58.160 56.048 -0.067 0.000 1.334 459 H CB -0.268 29.461 29.762 -0.056 0.000 1.385 459 H HN 0.219 nan 8.280 nan 0.000 0.504 460 S N 0.364 115.927 115.700 -0.228 0.000 2.399 460 S HA -0.121 4.346 4.470 -0.005 0.000 0.231 460 S C 1.879 176.345 174.600 -0.224 0.000 1.022 460 S CA 1.195 59.239 58.200 -0.261 0.000 0.983 460 S CB -0.068 63.059 63.200 -0.122 0.000 0.803 460 S HN 0.479 nan 8.310 nan 0.000 0.480 461 E N 1.202 121.299 120.200 -0.172 0.000 2.072 461 E HA 0.015 4.362 4.350 -0.005 0.000 0.191 461 E C 2.008 178.491 176.600 -0.195 0.000 0.985 461 E CA 0.649 56.943 56.400 -0.177 0.000 0.801 461 E CB -0.352 29.277 29.700 -0.118 0.000 0.750 461 E HN 0.513 nan 8.360 nan 0.000 0.452 462 I N 0.933 121.401 120.570 -0.171 0.000 2.361 462 I HA -0.253 3.914 4.170 -0.005 0.000 0.251 462 I C 2.373 178.358 176.117 -0.219 0.000 1.133 462 I CA 0.702 61.907 61.300 -0.158 0.000 1.413 462 I CB -0.231 37.707 38.000 -0.103 0.000 1.073 462 I HN 0.056 nan 8.210 nan 0.000 0.424 463 L N 0.473 121.516 121.223 -0.300 0.000 2.046 463 L HA -0.216 4.121 4.340 -0.005 0.000 0.208 463 L C 2.492 179.224 176.870 -0.230 0.000 1.077 463 L CA 1.551 56.198 54.840 -0.322 0.000 0.747 463 L CB -0.518 41.383 42.059 -0.265 0.000 0.896 463 L HN 0.194 nan 8.230 nan 0.000 0.432 464 K N -0.021 120.185 120.400 -0.322 0.000 2.217 464 K HA -0.115 4.202 4.320 -0.005 0.000 0.202 464 K C 1.973 178.392 176.600 -0.300 0.000 1.051 464 K CA 0.946 56.929 56.287 -0.506 0.000 0.952 464 K CB 0.071 32.034 32.500 -0.895 0.000 0.736 464 K HN 0.289 nan 8.250 nan 0.000 0.453 465 K N -0.036 120.237 120.400 -0.213 0.000 2.314 465 K HA -0.016 4.301 4.320 -0.005 0.000 0.198 465 K C 1.771 178.323 176.600 -0.079 0.000 1.045 465 K CA 1.244 57.457 56.287 -0.122 0.000 0.988 465 K CB 0.501 32.936 32.500 -0.108 0.000 0.783 465 K HN 0.253 nan 8.250 nan 0.000 0.484 466 T N -1.194 113.304 114.554 -0.093 0.000 2.995 466 T HA 0.074 4.421 4.350 -0.005 0.000 0.170 466 T C 1.875 176.557 174.700 -0.029 0.000 0.844 466 T CA -0.072 61.991 62.100 -0.062 0.000 1.137 466 T CB -0.772 68.049 68.868 -0.078 0.000 2.193 466 T HN 0.103 nan 8.240 nan 0.000 0.384 467 I N -0.874 119.638 120.570 -0.098 0.000 2.423 467 I HA 0.108 4.275 4.170 -0.005 0.000 0.254 467 I C 1.569 177.829 176.117 0.238 0.000 1.151 467 I CA 1.581 62.852 61.300 -0.048 0.000 1.421 467 I CB -0.650 37.185 38.000 -0.275 0.000 1.079 467 I HN 0.286 nan 8.210 nan 0.000 0.431 468 F N 0.735 120.755 119.950 0.117 0.000 2.654 468 F HA 0.280 4.804 4.527 -0.005 0.000 0.303 468 F C 2.113 177.987 175.800 0.123 0.000 1.099 468 F CA -0.655 57.478 58.000 0.221 0.000 1.270 468 F CB 0.185 39.294 39.000 0.182 0.000 1.024 468 F HN -0.052 nan 8.300 nan 0.000 0.548 469 K N 1.209 121.727 120.400 0.198 0.000 2.034 469 K HA -0.232 4.085 4.320 -0.005 0.000 0.214 469 K C 1.363 178.011 176.600 0.079 0.000 1.051 469 K CA 2.293 58.632 56.287 0.088 0.000 0.931 469 K CB -0.055 32.465 32.500 0.033 0.000 0.715 469 K HN 0.133 nan 8.250 nan 0.000 0.446 470 D N -0.172 120.241 120.400 0.022 0.000 2.123 470 D HA -0.171 4.466 4.640 -0.005 0.000 0.196 470 D C 1.840 178.032 176.300 -0.180 0.000 0.992 470 D CA 1.299 55.183 54.000 -0.194 0.000 0.833 470 D CB -0.303 40.273 40.800 -0.373 0.000 0.954 470 D HN 0.258 nan 8.370 nan 0.000 0.455 471 F N -0.157 119.852 119.950 0.099 0.000 2.186 471 F HA -0.141 4.383 4.527 -0.005 0.000 0.299 471 F C 2.337 178.277 175.800 0.234 0.000 1.090 471 F CA 0.472 58.608 58.000 0.228 0.000 1.307 471 F CB -0.661 38.534 39.000 0.324 0.000 1.019 471 F HN -0.034 nan 8.300 nan 0.000 0.489 472 Y N 1.473 121.744 120.300 -0.049 0.000 2.224 472 Y HA -0.186 4.361 4.550 -0.005 0.000 0.289 472 Y C 2.067 177.964 175.900 -0.006 0.000 1.146 472 Y CA 1.571 59.482 58.100 -0.315 0.000 1.182 472 Y CB -0.620 37.481 38.460 -0.599 0.000 0.983 472 Y HN 0.153 nan 8.280 nan 0.000 0.524 473 E N -0.503 119.641 120.200 -0.093 0.000 2.150 473 E HA -0.168 4.179 4.350 -0.005 0.000 0.193 473 E C 1.956 178.613 176.600 0.096 0.000 0.985 473 E CA 1.129 57.482 56.400 -0.078 0.000 0.814 473 E CB -0.220 29.468 29.700 -0.020 0.000 0.752 473 E HN 0.434 nan 8.360 nan 0.000 0.466 474 L N 0.912 122.230 121.223 0.158 0.000 2.127 474 L HA -0.002 4.335 4.340 -0.005 0.000 0.203 474 L C 0.269 177.243 176.870 0.174 0.000 1.080 474 L CA 1.585 56.560 54.840 0.225 0.000 0.768 474 L CB 0.451 42.637 42.059 0.212 0.000 0.924 474 L HN -0.132 nan 8.230 nan 0.000 0.444 475 E N -0.757 119.550 120.200 0.178 0.000 3.132 475 E HA 0.185 4.532 4.350 -0.005 0.000 0.241 475 E C -2.082 174.503 176.600 -0.025 0.000 1.196 475 E CA -1.357 55.084 56.400 0.069 0.000 0.869 475 E CB 1.056 30.775 29.700 0.032 0.000 1.387 475 E HN 0.149 nan 8.360 nan 0.000 0.393 476 P HA -0.256 nan 4.420 nan 0.000 0.216 476 P C 1.264 178.686 177.300 0.204 0.000 1.153 476 P CA 1.284 64.351 63.100 -0.056 0.000 0.858 476 P CB -0.014 31.576 31.700 -0.182 0.000 0.789 477 H N -0.280 118.895 119.070 0.175 0.000 2.489 477 H HA -0.011 4.542 4.556 -0.005 0.000 0.295 477 H C 1.370 176.784 175.328 0.144 0.000 1.082 477 H CA 1.117 57.255 56.048 0.150 0.000 1.295 477 H CB -0.817 29.004 29.762 0.098 0.000 1.380 477 H HN 0.179 nan 8.280 nan 0.000 0.548 478 K N 0.275 120.523 120.400 -0.252 0.000 2.217 478 K HA 0.030 4.347 4.320 -0.005 0.000 0.202 478 K C -0.065 176.355 176.600 -0.299 0.000 1.051 478 K CA 0.257 56.382 56.287 -0.270 0.000 0.952 478 K CB 0.060 32.286 32.500 -0.457 0.000 0.736 478 K HN 0.111 nan 8.250 nan 0.000 0.453 479 F N 1.882 121.851 119.950 0.031 0.000 2.438 479 F HA 0.154 4.678 4.527 -0.005 0.000 0.356 479 F C 0.544 176.342 175.800 -0.004 0.000 1.099 479 F CA -0.090 57.932 58.000 0.036 0.000 1.185 479 F CB 0.829 39.902 39.000 0.122 0.000 1.115 479 F HN -0.090 nan 8.300 nan 0.000 0.526 480 Q N 1.782 121.604 119.800 0.037 0.000 2.605 480 Q HA 0.368 4.705 4.340 -0.005 0.000 0.296 480 Q C -1.163 174.792 176.000 -0.074 0.000 1.056 480 Q CA -1.270 54.511 55.803 -0.036 0.000 0.778 480 Q CB 3.113 31.775 28.738 -0.126 0.000 1.497 480 Q HN 0.636 nan 8.270 nan 0.000 0.443 481 N N 0.618 119.256 118.700 -0.103 0.000 2.269 481 N HA 0.292 5.029 4.740 -0.005 0.000 0.304 481 N C -1.503 173.908 175.510 -0.165 0.000 1.072 481 N CA -0.400 52.587 53.050 -0.104 0.000 0.802 481 N CB 1.099 39.546 38.487 -0.066 0.000 1.348 481 N HN 0.280 nan 8.380 nan 0.000 0.484 482 K N 2.733 123.040 120.400 -0.156 0.000 2.756 482 K HA 0.175 4.492 4.320 -0.005 0.000 0.218 482 K C -0.996 175.607 176.600 0.005 0.000 1.057 482 K CA -0.466 55.702 56.287 -0.199 0.000 1.056 482 K CB 1.188 33.347 32.500 -0.569 0.000 1.235 482 K HN 0.562 nan 8.250 nan 0.000 0.547 483 T N 1.960 116.534 114.554 0.033 0.000 2.908 483 T HA 0.046 4.393 4.350 -0.005 0.000 0.301 483 T C 0.816 175.635 174.700 0.199 0.000 1.019 483 T CA 0.403 62.572 62.100 0.116 0.000 1.152 483 T CB 0.311 69.243 68.868 0.107 0.000 0.966 483 T HN 0.351 nan 8.240 nan 0.000 0.540 484 N N 0.496 119.340 118.700 0.240 0.000 2.297 484 N HA 0.416 5.153 4.740 -0.005 0.000 0.232 484 N C 0.468 176.161 175.510 0.305 0.000 1.311 484 N CA -0.164 53.062 53.050 0.293 0.000 0.897 484 N CB 0.382 38.988 38.487 0.199 0.000 1.137 484 N HN 0.766 nan 8.380 nan 0.000 0.449 485 G N -0.690 108.297 108.800 0.313 0.000 2.649 485 G HA2 0.588 4.545 3.960 -0.005 0.000 0.290 485 G HA3 0.588 4.545 3.960 -0.005 0.000 0.290 485 G C -1.450 173.586 174.900 0.227 0.000 1.426 485 G CA -0.740 44.530 45.100 0.284 0.000 0.794 485 G HN 0.597 nan 8.290 nan 0.000 0.483 486 I N -2.234 118.456 120.570 0.199 0.000 2.828 486 I HA 0.751 4.918 4.170 -0.005 0.000 0.302 486 I C -0.181 176.098 176.117 0.270 0.000 1.101 486 I CA -0.947 60.467 61.300 0.189 0.000 1.031 486 I CB 2.433 40.439 38.000 0.010 0.000 1.231 486 I HN 0.509 nan 8.210 nan 0.000 0.427 487 T N 3.740 118.505 114.554 0.352 0.000 2.851 487 T HA 0.362 4.709 4.350 -0.005 0.000 0.298 487 T C -1.722 173.097 174.700 0.197 0.000 0.977 487 T CA -1.406 60.822 62.100 0.213 0.000 1.126 487 T CB 0.883 69.824 68.868 0.120 0.000 0.916 487 T HN 0.564 nan 8.240 nan 0.000 0.529 488 P HA 0.067 nan 4.420 nan 0.000 0.226 488 P C 1.199 178.467 177.300 -0.055 0.000 1.153 488 P CA 0.652 63.784 63.100 0.053 0.000 0.777 488 P CB 0.224 31.930 31.700 0.009 0.000 0.794 489 R N -0.347 120.071 120.500 -0.137 0.000 2.055 489 R HA 0.010 4.347 4.340 -0.005 0.000 0.228 489 R C 2.548 178.723 176.300 -0.209 0.000 1.143 489 R CA 1.180 57.157 56.100 -0.204 0.000 0.945 489 R CB -0.589 29.577 30.300 -0.222 0.000 0.841 489 R HN 0.060 nan 8.270 nan 0.000 0.429 490 R N 0.130 120.446 120.500 -0.307 0.000 2.090 490 R HA -0.113 4.224 4.340 -0.005 0.000 0.228 490 R C 1.047 176.950 176.300 -0.662 0.000 1.110 490 R CA 1.372 57.131 56.100 -0.568 0.000 0.973 490 R CB -0.057 29.725 30.300 -0.864 0.000 0.869 490 R HN 0.288 nan 8.270 nan 0.000 0.440 491 W N -0.011 121.246 121.300 -0.072 0.000 3.345 491 W HA 0.135 4.791 4.660 -0.006 0.000 0.282 491 W C 0.982 177.470 176.519 -0.051 0.000 1.302 491 W CA -0.625 56.676 57.345 -0.073 0.000 1.724 491 W CB 0.384 29.806 29.460 -0.064 0.000 1.104 491 W HN 0.237 nan 8.180 nan 0.000 0.694 492 L N -2.432 118.832 121.223 0.068 0.000 2.376 492 L HA 0.173 4.510 4.340 -0.005 0.000 0.153 492 L C 1.742 178.624 176.870 0.020 0.000 1.272 492 L CA 0.738 55.622 54.840 0.073 0.000 1.005 492 L CB -0.864 41.266 42.059 0.119 0.000 2.027 492 L HN -0.261 nan 8.230 nan 0.000 0.495 493 V N 1.293 121.196 119.914 -0.019 0.000 2.287 493 V HA -0.275 3.842 4.120 -0.005 0.000 0.248 493 V C 2.455 178.521 176.094 -0.047 0.000 1.053 493 V CA 2.520 64.802 62.300 -0.030 0.000 1.027 493 V CB -0.691 31.086 31.823 -0.077 0.000 0.646 493 V HN 0.520 nan 8.190 nan 0.000 0.447 494 L N 0.481 121.646 121.223 -0.097 0.000 2.023 494 L HA -0.179 4.158 4.340 -0.005 0.000 0.205 494 L C 2.532 179.336 176.870 -0.110 0.000 1.073 494 L CA 2.395 57.162 54.840 -0.121 0.000 0.745 494 L CB -0.286 41.651 42.059 -0.203 0.000 0.900 494 L HN 0.647 nan 8.230 nan 0.000 0.435 495 C N -1.581 117.644 119.300 -0.124 0.000 2.514 495 C HA 0.170 4.627 4.460 -0.005 0.000 0.271 495 C C 1.232 176.201 174.990 -0.034 0.000 1.399 495 C CA -0.201 58.763 59.018 -0.089 0.000 1.765 495 C CB -1.074 26.611 27.740 -0.092 0.000 1.893 495 C HN 0.609 nan 8.230 nan 0.000 0.531 496 N N 1.146 119.839 118.700 -0.013 0.000 2.703 496 N HA 0.273 5.010 4.740 -0.005 0.000 0.283 496 N C -1.628 173.894 175.510 0.020 0.000 1.851 496 N CA -1.636 51.420 53.050 0.010 0.000 0.826 496 N CB 0.699 39.202 38.487 0.027 0.000 1.239 496 N HN 0.266 nan 8.380 nan 0.000 0.495 497 P HA -0.066 nan 4.420 nan 0.000 0.218 497 P C 1.382 178.700 177.300 0.030 0.000 1.148 497 P CA 0.967 64.079 63.100 0.020 0.000 0.822 497 P CB 0.235 31.939 31.700 0.007 0.000 0.784 498 G N 0.571 109.384 108.800 0.021 0.000 2.418 498 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.217 498 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.217 498 G C 1.534 176.449 174.900 0.024 0.000 1.158 498 G CA 0.654 45.765 45.100 0.018 0.000 0.771 498 G HN 0.258 nan 8.290 nan 0.000 0.545 499 L N 1.196 122.436 121.223 0.028 0.000 2.072 499 L HA 0.301 4.638 4.340 -0.005 0.000 0.205 499 L C 3.029 179.940 176.870 0.068 0.000 1.079 499 L CA 1.941 56.800 54.840 0.032 0.000 0.752 499 L CB -0.698 41.380 42.059 0.031 0.000 0.906 499 L HN 0.216 nan 8.230 nan 0.000 0.436 500 A N -0.766 122.113 122.820 0.099 0.000 1.933 500 A HA -0.242 4.075 4.320 -0.005 0.000 0.218 500 A C 2.239 179.926 177.584 0.173 0.000 1.175 500 A CA 1.767 53.915 52.037 0.184 0.000 0.628 500 A CB -0.622 18.476 19.000 0.164 0.000 0.814 500 A HN 0.537 nan 8.150 nan 0.000 0.444 501 E N 0.682 120.943 120.200 0.103 0.000 2.072 501 E HA -0.140 4.207 4.350 -0.005 0.000 0.190 501 E C 1.827 178.471 176.600 0.073 0.000 0.982 501 E CA 1.494 57.943 56.400 0.083 0.000 0.803 501 E CB -0.494 29.236 29.700 0.050 0.000 0.755 501 E HN 0.745 nan 8.360 nan 0.000 0.453 502 I N -1.880 118.731 120.570 0.069 0.000 2.493 502 I HA -0.093 4.074 4.170 -0.005 0.000 0.254 502 I C 2.066 178.259 176.117 0.126 0.000 1.160 502 I CA 0.957 62.312 61.300 0.092 0.000 1.445 502 I CB -0.306 37.742 38.000 0.079 0.000 1.086 502 I HN 0.010 nan 8.210 nan 0.000 0.433 503 I N 1.940 122.560 120.570 0.084 0.000 2.233 503 I HA -0.145 4.022 4.170 -0.005 0.000 0.243 503 I C 3.014 179.076 176.117 -0.091 0.000 1.093 503 I CA 1.221 62.490 61.300 -0.053 0.000 1.380 503 I CB -0.432 37.422 38.000 -0.243 0.000 1.067 503 I HN 0.276 nan 8.210 nan 0.000 0.413 504 A N 0.625 123.488 122.820 0.071 0.000 1.933 504 A HA -0.220 4.097 4.320 -0.005 0.000 0.218 504 A C 2.134 179.749 177.584 0.052 0.000 1.175 504 A CA 1.587 53.719 52.037 0.158 0.000 0.628 504 A CB -0.602 18.529 19.000 0.218 0.000 0.814 504 A HN 0.459 nan 8.150 nan 0.000 0.444 505 E N -0.558 119.652 120.200 0.018 0.000 2.209 505 E HA -0.193 4.154 4.350 -0.005 0.000 0.196 505 E C 2.136 178.699 176.600 -0.062 0.000 0.993 505 E CA 1.185 57.580 56.400 -0.008 0.000 0.819 505 E CB -0.126 29.572 29.700 -0.003 0.000 0.745 505 E HN 0.600 nan 8.360 nan 0.000 0.477 506 R N 0.136 120.545 120.500 -0.151 0.000 2.175 506 R HA 0.153 4.490 4.340 -0.005 0.000 0.202 506 R C 2.168 178.382 176.300 -0.143 0.000 1.018 506 R CA 0.720 56.661 56.100 -0.265 0.000 1.029 506 R CB 0.248 30.105 30.300 -0.739 0.000 0.959 506 R HN 0.253 nan 8.270 nan 0.000 0.480 507 I N -3.417 117.093 120.570 -0.100 0.000 4.147 507 I HA 0.455 4.622 4.170 -0.005 0.000 0.329 507 I C 0.350 176.507 176.117 0.067 0.000 1.424 507 I CA -0.189 61.106 61.300 -0.009 0.000 1.127 507 I CB 1.082 39.063 38.000 -0.033 0.000 1.128 507 I HN 0.138 nan 8.210 nan 0.000 0.417 508 G N 2.186 111.035 108.800 0.083 0.000 2.698 508 G HA2 -0.204 3.753 3.960 -0.005 0.000 0.225 508 G HA3 -0.204 3.753 3.960 -0.005 0.000 0.225 508 G C -0.112 174.925 174.900 0.229 0.000 1.345 508 G CA 0.142 45.315 45.100 0.121 0.000 0.871 508 G HN 0.451 nan 8.290 nan 0.000 0.540 509 E N -0.442 119.845 120.200 0.145 0.000 2.476 509 E HA 0.088 4.435 4.350 -0.005 0.000 0.199 509 E C 1.819 178.379 176.600 -0.067 0.000 1.021 509 E CA -0.013 56.418 56.400 0.051 0.000 0.907 509 E CB 0.336 30.051 29.700 0.025 0.000 0.974 509 E HN 0.434 nan 8.360 nan 0.000 0.489 510 E N 0.741 120.971 120.200 0.050 0.000 2.209 510 E HA -0.197 4.150 4.350 -0.005 0.000 0.196 510 E C 1.684 178.283 176.600 -0.001 0.000 0.993 510 E CA 1.001 57.419 56.400 0.031 0.000 0.819 510 E CB -0.049 29.692 29.700 0.069 0.000 0.745 510 E HN 0.538 nan 8.360 nan 0.000 0.477 511 Y N -1.087 119.220 120.300 0.011 0.000 2.403 511 Y HA -0.019 4.529 4.550 -0.003 0.000 0.291 511 Y C 1.986 177.866 175.900 -0.033 0.000 1.143 511 Y CA 0.544 58.642 58.100 -0.002 0.000 1.257 511 Y CB -0.817 37.646 38.460 0.005 0.000 0.984 511 Y HN -0.080 nan 8.280 nan 0.000 0.550 512 I N 0.910 120.984 120.570 -0.827 0.000 2.454 512 I HA -0.228 3.939 4.170 -0.005 0.000 0.254 512 I C 1.565 177.419 176.117 -0.439 0.000 1.156 512 I CA 1.788 62.657 61.300 -0.717 0.000 1.433 512 I CB -0.359 37.146 38.000 -0.824 0.000 1.082 512 I HN 0.491 nan 8.210 nan 0.000 0.432 513 S N -2.254 113.301 115.700 -0.242 0.000 2.730 513 S HA 0.177 4.644 4.470 -0.005 0.000 0.244 513 S C 0.128 174.709 174.600 -0.032 0.000 1.022 513 S CA -0.501 57.632 58.200 -0.111 0.000 1.014 513 S CB 0.407 63.611 63.200 0.007 0.000 0.963 513 S HN 0.273 nan 8.310 nan 0.000 0.540 514 D N 0.735 121.125 120.400 -0.016 0.000 2.934 514 D HA 0.229 4.866 4.640 -0.005 0.000 0.249 514 D C 0.410 176.751 176.300 0.068 0.000 1.293 514 D CA -0.376 53.639 54.000 0.026 0.000 0.812 514 D CB 0.403 41.224 40.800 0.035 0.000 1.439 514 D HN 0.091 nan 8.370 nan 0.000 0.555 515 L N 1.235 122.499 121.223 0.068 0.000 2.261 515 L HA -0.058 4.279 4.340 -0.005 0.000 0.216 515 L C 1.456 178.384 176.870 0.097 0.000 1.114 515 L CA 1.660 56.573 54.840 0.122 0.000 0.777 515 L CB -0.100 42.022 42.059 0.105 0.000 0.910 515 L HN 0.280 nan 8.230 nan 0.000 0.440 516 D N -0.814 119.616 120.400 0.051 0.000 2.265 516 D HA -0.220 4.417 4.640 -0.005 0.000 0.208 516 D C 1.929 178.254 176.300 0.041 0.000 0.977 516 D CA 0.810 54.827 54.000 0.027 0.000 0.871 516 D CB 0.039 40.841 40.800 0.003 0.000 0.925 516 D HN 0.565 nan 8.370 nan 0.000 0.485 517 Q N -0.056 119.786 119.800 0.071 0.000 2.364 517 Q HA -0.043 4.294 4.340 -0.005 0.000 0.209 517 Q C 2.229 178.254 176.000 0.040 0.000 0.977 517 Q CA 0.214 56.059 55.803 0.070 0.000 0.885 517 Q CB 0.029 28.838 28.738 0.118 0.000 0.941 517 Q HN 0.390 nan 8.270 nan 0.000 0.464 518 L N 0.049 121.292 121.223 0.033 0.000 2.353 518 L HA -0.181 4.156 4.340 -0.005 0.000 0.220 518 L C 2.197 179.068 176.870 0.001 0.000 1.133 518 L CA 0.833 55.659 54.840 -0.024 0.000 0.798 518 L CB -0.317 41.742 42.059 -0.000 0.000 0.922 518 L HN 0.198 nan 8.230 nan 0.000 0.445 519 R N 0.330 120.839 120.500 0.015 0.000 2.152 519 R HA -0.160 4.177 4.340 -0.005 0.000 0.232 519 R C 2.078 178.382 176.300 0.006 0.000 1.117 519 R CA 0.981 57.089 56.100 0.013 0.000 0.981 519 R CB -0.136 30.167 30.300 0.006 0.000 0.870 519 R HN 0.385 nan 8.270 nan 0.000 0.451 520 K N 0.544 120.948 120.400 0.006 0.000 2.281 520 K HA -0.107 4.210 4.320 -0.005 0.000 0.203 520 K C 1.784 178.410 176.600 0.042 0.000 1.046 520 K CA 0.875 57.168 56.287 0.009 0.000 0.938 520 K CB -0.062 32.455 32.500 0.028 0.000 0.737 520 K HN 0.212 nan 8.250 nan 0.000 0.458 521 L N 0.476 121.731 121.223 0.054 0.000 2.362 521 L HA -0.131 4.206 4.340 -0.005 0.000 0.219 521 L C 1.857 178.794 176.870 0.110 0.000 1.134 521 L CA 0.071 54.981 54.840 0.116 0.000 0.807 521 L CB -0.250 41.833 42.059 0.039 0.000 0.927 521 L HN 0.128 nan 8.230 nan 0.000 0.447 522 L N 0.100 121.345 121.223 0.036 0.000 2.191 522 L HA -0.176 4.161 4.340 -0.005 0.000 0.212 522 L C 2.564 179.404 176.870 -0.049 0.000 1.103 522 L CA 1.779 56.627 54.840 0.013 0.000 0.769 522 L CB -0.695 41.361 42.059 -0.005 0.000 0.908 522 L HN 0.337 nan 8.230 nan 0.000 0.438 523 S N -2.884 112.716 115.700 -0.167 0.000 2.701 523 S HA -0.009 4.458 4.470 -0.005 0.000 0.220 523 S C 0.970 175.250 174.600 -0.532 0.000 0.954 523 S CA 0.043 58.040 58.200 -0.338 0.000 0.936 523 S CB -0.459 62.481 63.200 -0.433 0.000 0.777 523 S HN 0.431 nan 8.310 nan 0.000 0.518 524 Y N -0.766 119.487 120.300 -0.079 0.000 2.527 524 Y HA 0.407 4.956 4.550 -0.002 0.000 0.247 524 Y C 1.876 177.832 175.900 0.094 0.000 1.138 524 Y CA -0.771 57.288 58.100 -0.068 0.000 1.228 524 Y CB 0.092 38.335 38.460 -0.362 0.000 1.252 524 Y HN 0.265 nan 8.280 nan 0.000 0.531 525 V N 0.535 120.554 119.914 0.174 0.000 2.568 525 V HA -0.234 3.883 4.120 -0.005 0.000 0.253 525 V C 0.870 177.041 176.094 0.127 0.000 1.072 525 V CA 2.404 64.801 62.300 0.161 0.000 1.084 525 V CB -0.009 31.865 31.823 0.085 0.000 0.676 525 V HN 0.302 nan 8.190 nan 0.000 0.469 526 D N -0.691 119.767 120.400 0.096 0.000 2.395 526 D HA 0.133 4.770 4.640 -0.005 0.000 0.213 526 D C 0.390 176.748 176.300 0.096 0.000 1.110 526 D CA 0.016 54.060 54.000 0.073 0.000 0.835 526 D CB 0.037 40.857 40.800 0.032 0.000 0.965 526 D HN 0.476 nan 8.370 nan 0.000 0.505 527 D N 1.383 121.880 120.400 0.163 0.000 2.336 527 D HA -0.027 4.610 4.640 -0.005 0.000 0.249 527 D C 1.140 177.546 176.300 0.177 0.000 1.213 527 D CA -0.016 54.099 54.000 0.193 0.000 0.870 527 D CB 1.533 42.529 40.800 0.326 0.000 1.076 527 D HN -0.186 nan 8.370 nan 0.000 0.483 528 E N 3.367 123.635 120.200 0.114 0.000 2.118 528 E HA -0.165 4.182 4.350 -0.005 0.000 0.195 528 E C 1.740 178.391 176.600 0.085 0.000 0.992 528 E CA 1.490 57.939 56.400 0.082 0.000 0.804 528 E CB -0.036 29.696 29.700 0.054 0.000 0.741 528 E HN 0.602 nan 8.360 nan 0.000 0.458 529 A N -0.251 122.633 122.820 0.107 0.000 1.858 529 A HA -0.149 4.168 4.320 -0.005 0.000 0.216 529 A C 2.267 179.928 177.584 0.130 0.000 1.190 529 A CA 1.404 53.500 52.037 0.099 0.000 0.617 529 A CB -1.036 18.023 19.000 0.100 0.000 0.827 529 A HN 0.448 nan 8.150 nan 0.000 0.443 530 F N 0.438 120.392 119.950 0.007 0.000 2.134 530 F HA -0.162 4.362 4.527 -0.005 0.000 0.299 530 F C 2.068 177.868 175.800 -0.000 0.000 1.097 530 F CA 1.634 59.621 58.000 -0.022 0.000 1.264 530 F CB -0.110 38.876 39.000 -0.022 0.000 1.001 530 F HN 0.167 nan 8.300 nan 0.000 0.479 531 I N 0.123 120.705 120.570 0.020 0.000 2.208 531 I HA -0.350 3.817 4.170 -0.005 0.000 0.245 531 I C 2.536 178.586 176.117 -0.112 0.000 1.097 531 I CA 1.599 62.855 61.300 -0.073 0.000 1.363 531 I CB -0.489 37.526 38.000 0.025 0.000 1.051 531 I HN 0.106 nan 8.210 nan 0.000 0.413 532 R N 0.862 121.327 120.500 -0.059 0.000 2.092 532 R HA -0.170 4.167 4.340 -0.005 0.000 0.231 532 R C 1.850 178.094 176.300 -0.092 0.000 1.119 532 R CA 1.636 57.702 56.100 -0.057 0.000 0.970 532 R CB -0.076 30.211 30.300 -0.021 0.000 0.864 532 R HN 0.300 nan 8.270 nan 0.000 0.440 533 D N -0.487 119.837 120.400 -0.127 0.000 2.149 533 D HA -0.106 4.531 4.640 -0.005 0.000 0.201 533 D C 1.879 178.052 176.300 -0.212 0.000 0.972 533 D CA 1.064 54.980 54.000 -0.140 0.000 0.835 533 D CB -0.067 40.671 40.800 -0.104 0.000 0.966 533 D HN 0.080 nan 8.370 nan 0.000 0.476 534 V N 1.561 121.252 119.914 -0.372 0.000 2.343 534 V HA -0.234 3.883 4.120 -0.005 0.000 0.247 534 V C 2.538 178.538 176.094 -0.157 0.000 1.051 534 V CA 1.865 63.962 62.300 -0.338 0.000 1.036 534 V CB -0.746 30.800 31.823 -0.462 0.000 0.654 534 V HN 0.176 nan 8.190 nan 0.000 0.451 535 A N -0.570 122.176 122.820 -0.123 0.000 1.930 535 A HA -0.224 4.093 4.320 -0.005 0.000 0.217 535 A C 2.352 179.898 177.584 -0.063 0.000 1.175 535 A CA 1.969 53.967 52.037 -0.065 0.000 0.627 535 A CB -0.432 18.533 19.000 -0.058 0.000 0.815 535 A HN 0.511 nan 8.150 nan 0.000 0.443 536 K N -0.180 120.179 120.400 -0.070 0.000 2.057 536 K HA -0.079 4.237 4.320 -0.005 0.000 0.206 536 K C 1.839 178.413 176.600 -0.043 0.000 1.050 536 K CA 1.514 57.770 56.287 -0.052 0.000 0.935 536 K CB -0.259 32.213 32.500 -0.046 0.000 0.715 536 K HN 0.225 nan 8.250 nan 0.000 0.439 537 V N 1.793 121.676 119.914 -0.050 0.000 2.287 537 V HA -0.262 3.855 4.120 -0.005 0.000 0.248 537 V C 2.385 178.467 176.094 -0.021 0.000 1.053 537 V CA 2.066 64.346 62.300 -0.033 0.000 1.027 537 V CB -0.471 31.328 31.823 -0.040 0.000 0.646 537 V HN 0.357 nan 8.190 nan 0.000 0.447 538 K N 0.350 120.734 120.400 -0.026 0.000 2.057 538 K HA -0.226 4.091 4.320 -0.005 0.000 0.207 538 K C 2.148 178.722 176.600 -0.043 0.000 1.049 538 K CA 1.763 58.040 56.287 -0.016 0.000 0.931 538 K CB -0.477 32.026 32.500 0.006 0.000 0.714 538 K HN 0.390 nan 8.250 nan 0.000 0.440 539 Q N 1.035 120.803 119.800 -0.053 0.000 2.084 539 Q HA -0.112 4.225 4.340 -0.005 0.000 0.202 539 Q C 1.642 177.623 176.000 -0.031 0.000 0.978 539 Q CA 1.999 57.763 55.803 -0.066 0.000 0.844 539 Q CB -0.087 28.616 28.738 -0.057 0.000 0.898 539 Q HN 0.519 nan 8.270 nan 0.000 0.426 540 E N -0.463 119.731 120.200 -0.011 0.000 2.077 540 E HA -0.161 4.186 4.350 -0.005 0.000 0.193 540 E C 1.759 178.383 176.600 0.040 0.000 0.989 540 E CA 0.993 57.401 56.400 0.014 0.000 0.800 540 E CB -0.089 29.617 29.700 0.010 0.000 0.746 540 E HN 0.406 nan 8.360 nan 0.000 0.452 541 N N 1.058 119.779 118.700 0.035 0.000 2.120 541 N HA -0.131 4.606 4.740 -0.005 0.000 0.188 541 N C 1.526 177.116 175.510 0.134 0.000 1.024 541 N CA 1.059 54.151 53.050 0.069 0.000 0.852 541 N CB -0.091 38.421 38.487 0.042 0.000 1.003 541 N HN 0.148 nan 8.380 nan 0.000 0.424 542 K N 0.654 121.098 120.400 0.073 0.000 2.097 542 K HA 0.016 4.333 4.320 -0.005 0.000 0.205 542 K C 2.119 178.852 176.600 0.221 0.000 1.050 542 K CA 0.654 57.010 56.287 0.114 0.000 0.938 542 K CB -0.141 32.155 32.500 -0.340 0.000 0.718 542 K HN 0.118 nan 8.250 nan 0.000 0.442 543 L N 1.079 122.372 121.223 0.116 0.000 2.046 543 L HA -0.171 4.166 4.340 -0.005 0.000 0.208 543 L C 2.622 179.588 176.870 0.159 0.000 1.077 543 L CA 1.015 55.928 54.840 0.122 0.000 0.747 543 L CB -0.383 41.720 42.059 0.073 0.000 0.896 543 L HN 0.110 nan 8.230 nan 0.000 0.432 544 K N 0.070 120.569 120.400 0.165 0.000 2.063 544 K HA -0.214 4.103 4.320 -0.005 0.000 0.208 544 K C 2.113 178.872 176.600 0.264 0.000 1.048 544 K CA 1.714 58.108 56.287 0.178 0.000 0.928 544 K CB -0.331 32.258 32.500 0.149 0.000 0.713 544 K HN 0.139 nan 8.250 nan 0.000 0.442 545 F N 0.964 121.013 119.950 0.164 0.000 2.234 545 F HA 0.034 4.559 4.527 -0.005 0.000 0.296 545 F C 2.018 177.962 175.800 0.240 0.000 1.089 545 F CA 0.987 59.111 58.000 0.207 0.000 1.343 545 F CB -0.397 38.727 39.000 0.206 0.000 1.040 545 F HN 0.028 nan 8.300 nan 0.000 0.498 546 A N 0.224 123.177 122.820 0.223 0.000 1.972 546 A HA -0.048 4.269 4.320 -0.005 0.000 0.219 546 A C 2.375 179.963 177.584 0.005 0.000 1.169 546 A CA 1.734 53.818 52.037 0.077 0.000 0.635 546 A CB -1.383 17.716 19.000 0.165 0.000 0.810 546 A HN 0.445 nan 8.150 nan 0.000 0.446 547 A N -1.320 121.543 122.820 0.072 0.000 1.854 547 A HA -0.019 4.298 4.320 -0.005 0.000 0.214 547 A C 2.092 179.697 177.584 0.034 0.000 1.192 547 A CA 1.465 53.541 52.037 0.066 0.000 0.611 547 A CB -0.996 18.062 19.000 0.096 0.000 0.832 547 A HN 0.721 nan 8.150 nan 0.000 0.442 548 Y N 0.291 120.553 120.300 -0.063 0.000 2.096 548 Y HA -0.288 4.259 4.550 -0.005 0.000 0.278 548 Y C 1.940 177.775 175.900 -0.108 0.000 1.192 548 Y CA 2.076 60.129 58.100 -0.077 0.000 1.143 548 Y CB -0.491 37.926 38.460 -0.070 0.000 0.963 548 Y HN 0.205 nan 8.280 nan 0.000 0.505 549 L N 0.814 121.907 121.223 -0.217 0.000 2.043 549 L HA -0.258 4.079 4.340 -0.005 0.000 0.212 549 L C 2.366 179.163 176.870 -0.121 0.000 1.075 549 L CA 2.258 56.973 54.840 -0.207 0.000 0.752 549 L CB -0.894 41.003 42.059 -0.270 0.000 0.891 549 L HN 0.374 nan 8.230 nan 0.000 0.432 550 E N -1.444 118.697 120.200 -0.098 0.000 2.107 550 E HA -0.161 4.186 4.350 -0.005 0.000 0.191 550 E C 2.289 178.829 176.600 -0.100 0.000 0.982 550 E CA 0.706 57.075 56.400 -0.051 0.000 0.809 550 E CB -0.045 29.660 29.700 0.008 0.000 0.756 550 E HN 0.470 nan 8.360 nan 0.000 0.459 551 R N 0.850 121.259 120.500 -0.151 0.000 2.061 551 R HA -0.120 4.217 4.340 -0.005 0.000 0.230 551 R C 2.078 178.205 176.300 -0.288 0.000 1.140 551 R CA 1.239 57.235 56.100 -0.174 0.000 0.940 551 R CB -0.172 30.045 30.300 -0.138 0.000 0.839 551 R HN -0.003 nan 8.270 nan 0.000 0.429 552 E N -1.088 118.797 120.200 -0.525 0.000 2.371 552 E HA 0.049 4.396 4.350 -0.005 0.000 0.194 552 E C -0.345 175.659 176.600 -0.993 0.000 1.012 552 E CA 0.776 56.716 56.400 -0.766 0.000 0.860 552 E CB 0.265 29.324 29.700 -1.069 0.000 0.811 552 E HN 0.195 nan 8.360 nan 0.000 0.502 553 Y N -0.619 119.537 120.300 -0.239 0.000 2.914 553 Y HA 0.331 4.878 4.550 -0.005 0.000 0.315 553 Y C 0.108 175.949 175.900 -0.097 0.000 1.345 553 Y CA -1.226 56.793 58.100 -0.136 0.000 1.121 553 Y CB 0.773 39.153 38.460 -0.135 0.000 1.363 553 Y HN -0.318 nan 8.280 nan 0.000 0.566 554 K N 0.304 120.776 120.400 0.119 0.000 3.237 554 K HA 0.688 5.005 4.320 -0.005 0.000 0.197 554 K C -1.922 174.705 176.600 0.044 0.000 1.133 554 K CA -0.066 56.253 56.287 0.053 0.000 0.944 554 K CB 0.377 32.905 32.500 0.047 0.000 0.952 554 K HN 0.302 nan 8.250 nan 0.000 0.515 555 V N 0.965 120.899 119.914 0.033 0.000 2.969 555 V HA 0.199 4.316 4.120 -0.005 0.000 0.304 555 V C -1.214 174.901 176.094 0.035 0.000 1.192 555 V CA -1.075 61.242 62.300 0.028 0.000 0.962 555 V CB 1.757 33.579 31.823 -0.002 0.000 1.045 555 V HN 0.599 nan 8.190 nan 0.000 0.428 556 H N 4.303 123.356 119.070 -0.028 0.000 2.505 556 H HA 0.801 5.354 4.556 -0.005 0.000 0.351 556 H C -0.385 174.931 175.328 -0.019 0.000 1.151 556 H CA -0.142 55.896 56.048 -0.017 0.000 1.339 556 H CB 1.279 31.037 29.762 -0.007 0.000 1.483 556 H HN 0.721 nan 8.280 nan 0.000 0.558 557 I N 1.136 121.283 120.570 -0.705 0.000 2.686 557 I HA 0.362 4.529 4.170 -0.005 0.000 0.295 557 I C -0.914 174.928 176.117 -0.459 0.000 1.114 557 I CA -1.347 59.711 61.300 -0.404 0.000 1.038 557 I CB 2.081 39.937 38.000 -0.240 0.000 1.238 557 I HN 0.517 nan 8.210 nan 0.000 0.420 558 N N 6.124 124.747 118.700 -0.127 0.000 2.400 558 N HA 0.270 5.007 4.740 -0.005 0.000 0.267 558 N C -1.870 173.715 175.510 0.124 0.000 1.208 558 N CA -1.800 51.262 53.050 0.019 0.000 0.951 558 N CB 0.690 39.219 38.487 0.070 0.000 1.227 558 N HN 0.407 nan 8.380 nan 0.000 0.488 559 P HA -0.081 nan 4.420 nan 0.000 0.226 559 P C 0.156 177.434 177.300 -0.036 0.000 1.146 559 P CA 0.952 64.106 63.100 0.090 0.000 0.773 559 P CB 0.250 31.990 31.700 0.066 0.000 0.772 560 N N -1.303 117.410 118.700 0.023 0.000 2.353 560 N HA 0.020 4.757 4.740 -0.005 0.000 0.185 560 N C 0.549 176.081 175.510 0.038 0.000 1.098 560 N CA 0.311 53.365 53.050 0.008 0.000 0.872 560 N CB 0.028 38.536 38.487 0.034 0.000 0.970 560 N HN 0.231 nan 8.380 nan 0.000 0.467 561 S N 0.348 116.084 115.700 0.060 0.000 2.632 561 S HA 0.283 4.750 4.470 -0.005 0.000 0.267 561 S C 0.264 174.829 174.600 -0.057 0.000 1.276 561 S CA -0.797 57.427 58.200 0.040 0.000 0.998 561 S CB 1.389 64.639 63.200 0.082 0.000 0.953 561 S HN 0.211 nan 8.310 nan 0.000 0.547 562 L N 2.009 123.048 121.223 -0.307 0.000 2.360 562 L HA 0.378 4.715 4.340 -0.005 0.000 0.276 562 L C -0.912 175.924 176.870 -0.056 0.000 1.121 562 L CA -0.593 53.866 54.840 -0.634 0.000 0.845 562 L CB -0.164 41.220 42.059 -1.125 0.000 1.143 562 L HN 0.709 nan 8.230 nan 0.000 0.452 563 F N 4.229 124.032 119.950 -0.245 0.000 2.405 563 F HA 0.093 4.618 4.527 -0.004 0.000 0.358 563 F C 0.477 176.200 175.800 -0.129 0.000 1.151 563 F CA -0.829 57.098 58.000 -0.122 0.000 1.161 563 F CB 0.531 39.511 39.000 -0.033 0.000 1.245 563 F HN 0.528 nan 8.300 nan 0.000 0.545 564 D N 4.765 125.162 120.400 -0.005 0.000 2.380 564 D HA 0.293 4.930 4.640 -0.005 0.000 0.230 564 D C -0.884 175.356 176.300 -0.099 0.000 1.154 564 D CA -0.061 53.893 54.000 -0.077 0.000 0.859 564 D CB 1.245 41.986 40.800 -0.099 0.000 1.045 564 D HN 0.095 nan 8.370 nan 0.000 0.495 565 V N 4.322 124.159 119.914 -0.128 0.000 2.540 565 V HA 0.398 4.515 4.120 -0.005 0.000 0.302 565 V C -0.166 175.776 176.094 -0.253 0.000 1.035 565 V CA -0.835 61.373 62.300 -0.154 0.000 0.873 565 V CB 1.814 33.616 31.823 -0.034 0.000 0.992 565 V HN 0.494 nan 8.190 nan 0.000 0.428 566 Q N 3.533 123.204 119.800 -0.214 0.000 2.490 566 Q HA 0.622 4.959 4.340 -0.005 0.000 0.255 566 Q C -1.474 174.368 176.000 -0.264 0.000 0.997 566 Q CA -0.425 55.240 55.803 -0.230 0.000 0.709 566 Q CB 1.935 30.565 28.738 -0.180 0.000 1.255 566 Q HN 0.805 nan 8.270 nan 0.000 0.486 567 V N 1.656 121.402 119.914 -0.280 0.000 2.487 567 V HA 0.873 4.990 4.120 -0.005 0.000 0.298 567 V C -0.827 174.997 176.094 -0.450 0.000 1.028 567 V CA -0.558 61.387 62.300 -0.591 0.000 0.860 567 V CB 1.319 32.548 31.823 -0.991 0.000 0.991 567 V HN 0.801 nan 8.190 nan 0.000 0.427 568 K N 2.390 122.569 120.400 -0.369 0.000 3.040 568 K HA 0.367 4.684 4.320 -0.005 0.000 0.300 568 K C -1.305 175.320 176.600 0.042 0.000 1.092 568 K CA -1.135 55.130 56.287 -0.037 0.000 0.831 568 K CB 0.862 33.336 32.500 -0.043 0.000 1.469 568 K HN 0.481 nan 8.250 nan 0.000 0.365 569 R N 0.874 121.473 120.500 0.166 0.000 2.698 569 R HA 0.165 4.502 4.340 -0.005 0.000 0.266 569 R C 0.394 176.766 176.300 0.120 0.000 1.026 569 R CA -0.295 55.922 56.100 0.195 0.000 1.102 569 R CB -0.144 30.357 30.300 0.334 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 4.700 125.255 120.570 -0.025 0.000 2.379 570 I HA 0.129 4.296 4.170 -0.005 0.000 0.290 570 I C 0.704 176.601 176.117 -0.368 0.000 1.063 570 I CA 0.510 61.727 61.300 -0.140 0.000 1.351 570 I CB -0.183 37.739 38.000 -0.129 0.000 1.410 570 I HN 0.291 nan 8.210 nan 0.000 0.505 571 H N 4.565 123.553 119.070 -0.137 0.000 2.996 571 H HA 0.231 4.784 4.556 -0.005 0.000 0.368 571 H C 0.362 175.581 175.328 -0.181 0.000 1.185 571 H CA -0.500 55.511 56.048 -0.061 0.000 1.160 571 H CB 2.049 31.694 29.762 -0.194 0.000 1.820 571 H HN 0.496 nan 8.280 nan 0.000 0.547 572 E N 1.086 121.344 120.200 0.095 0.000 2.110 572 E HA -0.203 4.144 4.350 -0.005 0.000 0.193 572 E C 1.461 177.828 176.600 -0.388 0.000 0.988 572 E CA 1.486 57.880 56.400 -0.011 0.000 0.804 572 E CB -0.001 29.885 29.700 0.310 0.000 0.745 572 E HN 0.569 nan 8.360 nan 0.000 0.458 573 Y N 0.850 120.630 120.300 -0.867 0.000 2.352 573 Y HA 0.002 4.549 4.550 -0.005 0.000 0.292 573 Y C 1.514 177.160 175.900 -0.424 0.000 1.136 573 Y CA 0.776 58.188 58.100 -1.147 0.000 1.227 573 Y CB -0.089 37.717 38.460 -1.090 0.000 0.991 573 Y HN -0.213 nan 8.280 nan 0.000 0.545 574 K N 0.778 120.706 120.400 -0.786 0.000 2.432 574 K HA 0.070 4.387 4.320 -0.005 0.000 0.196 574 K C 0.084 176.520 176.600 -0.274 0.000 1.038 574 K CA 0.459 56.417 56.287 -0.547 0.000 0.986 574 K CB -0.039 32.138 32.500 -0.540 0.000 0.782 574 K HN 0.260 nan 8.250 nan 0.000 0.485 575 R N 0.554 120.919 120.500 -0.225 0.000 3.267 575 R HA -0.223 4.114 4.340 -0.005 0.000 0.254 575 R C 0.214 176.440 176.300 -0.125 0.000 0.993 575 R CA 0.160 56.180 56.100 -0.134 0.000 0.670 575 R CB -1.805 28.434 30.300 -0.101 0.000 1.125 575 R HN 0.283 nan 8.270 nan 0.000 0.434 576 Q N 0.316 120.042 119.800 -0.124 0.000 2.291 576 Q HA -0.015 4.322 4.340 -0.005 0.000 0.206 576 Q C 2.022 177.975 176.000 -0.079 0.000 0.976 576 Q CA 1.232 56.974 55.803 -0.102 0.000 0.875 576 Q CB 0.066 28.747 28.738 -0.095 0.000 0.927 576 Q HN 0.584 nan 8.270 nan 0.000 0.450 577 L N -0.611 120.569 121.223 -0.072 0.000 2.083 577 L HA -0.176 4.160 4.340 -0.005 0.000 0.209 577 L C 1.973 178.842 176.870 -0.002 0.000 1.083 577 L CA 0.562 55.375 54.840 -0.046 0.000 0.752 577 L CB -0.319 41.724 42.059 -0.026 0.000 0.899 577 L HN 0.314 nan 8.230 nan 0.000 0.433 578 L N 0.010 121.222 121.223 -0.019 0.000 2.046 578 L HA -0.240 4.097 4.340 -0.005 0.000 0.208 578 L C 2.027 178.930 176.870 0.055 0.000 1.077 578 L CA 1.912 56.745 54.840 -0.011 0.000 0.747 578 L CB -0.830 41.109 42.059 -0.200 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.578 117.126 118.700 0.007 0.000 2.069 579 N HA -0.247 4.490 4.740 -0.005 0.000 0.191 579 N C 1.940 177.531 175.510 0.135 0.000 1.031 579 N CA 1.715 54.851 53.050 0.142 0.000 0.852 579 N CB -0.163 38.344 38.487 0.033 0.000 1.018 579 N HN 0.500 nan 8.380 nan 0.000 0.423 580 C N 0.581 119.896 119.300 0.025 0.000 2.413 580 C HA -0.081 4.376 4.460 -0.005 0.000 0.277 580 C C 2.569 177.554 174.990 -0.008 0.000 1.265 580 C CA 0.401 59.390 59.018 -0.048 0.000 1.752 580 C CB -1.260 26.401 27.740 -0.132 0.000 1.998 580 C HN 0.508 nan 8.230 nan 0.000 0.489 581 L N -0.497 120.785 121.223 0.099 0.000 2.093 581 L HA -0.171 4.166 4.340 -0.005 0.000 0.208 581 L C 2.727 179.754 176.870 0.262 0.000 1.085 581 L CA 1.620 56.566 54.840 0.177 0.000 0.755 581 L CB -1.007 41.226 42.059 0.290 0.000 0.904 581 L HN 0.589 nan 8.230 nan 0.000 0.435 582 H N -0.073 119.106 119.070 0.182 0.000 2.357 582 H HA -0.112 4.441 4.556 -0.005 0.000 0.301 582 H C 2.219 177.541 175.328 -0.011 0.000 1.082 582 H CA 1.640 57.718 56.048 0.050 0.000 1.342 582 H CB 0.419 30.151 29.762 -0.050 0.000 1.389 582 H HN 0.090 nan 8.280 nan 0.000 0.511 583 V N 1.596 121.431 119.914 -0.132 0.000 2.287 583 V HA -0.275 3.842 4.120 -0.005 0.000 0.248 583 V C 2.797 178.818 176.094 -0.121 0.000 1.053 583 V CA 1.863 64.046 62.300 -0.195 0.000 1.027 583 V CB -0.497 31.252 31.823 -0.123 0.000 0.646 583 V HN 0.395 nan 8.190 nan 0.000 0.447 584 I N -0.190 120.342 120.570 -0.064 0.000 2.315 584 I HA -0.214 3.953 4.170 -0.005 0.000 0.248 584 I C 2.511 178.674 176.117 0.075 0.000 1.117 584 I CA 1.682 63.005 61.300 0.039 0.000 1.404 584 I CB -0.689 37.313 38.000 0.003 0.000 1.071 584 I HN 0.324 nan 8.210 nan 0.000 0.419 585 T N 1.244 115.807 114.554 0.015 0.000 2.708 585 T HA -0.156 4.190 4.350 -0.005 0.000 0.266 585 T C 1.891 176.547 174.700 -0.073 0.000 1.037 585 T CA 1.244 63.349 62.100 0.007 0.000 1.146 585 T CB -0.272 68.632 68.868 0.059 0.000 0.865 585 T HN 0.084 nan 8.240 nan 0.000 0.435 586 L N 0.114 121.224 121.223 -0.188 0.000 2.042 586 L HA -0.034 4.303 4.340 -0.005 0.000 0.210 586 L C 2.109 178.935 176.870 -0.073 0.000 1.076 586 L CA 1.598 56.319 54.840 -0.198 0.000 0.749 586 L CB -0.925 40.935 42.059 -0.330 0.000 0.893 586 L HN 0.372 nan 8.230 nan 0.000 0.432 587 Y N 0.053 120.283 120.300 -0.117 0.000 2.181 587 Y HA -0.270 4.277 4.550 -0.005 0.000 0.288 587 Y C 2.404 178.279 175.900 -0.041 0.000 1.146 587 Y CA 1.785 59.855 58.100 -0.050 0.000 1.164 587 Y CB -0.093 38.377 38.460 0.018 0.000 0.982 587 Y HN 0.273 nan 8.280 nan 0.000 0.515 588 N N 0.480 119.125 118.700 -0.091 0.000 2.188 588 N HA -0.133 4.604 4.740 -0.005 0.000 0.184 588 N C 1.808 177.203 175.510 -0.192 0.000 1.018 588 N CA 1.444 54.380 53.050 -0.191 0.000 0.858 588 N CB -0.347 38.090 38.487 -0.082 0.000 0.989 588 N HN 0.448 nan 8.380 nan 0.000 0.426 589 R N 0.425 120.840 120.500 -0.141 0.000 2.092 589 R HA 0.076 4.413 4.340 -0.005 0.000 0.231 589 R C 2.215 178.430 176.300 -0.142 0.000 1.119 589 R CA 0.740 56.767 56.100 -0.122 0.000 0.970 589 R CB -0.237 30.002 30.300 -0.101 0.000 0.864 589 R HN 0.242 nan 8.270 nan 0.000 0.440 590 I N 0.982 121.446 120.570 -0.176 0.000 2.179 590 I HA -0.270 3.897 4.170 -0.005 0.000 0.242 590 I C 2.103 178.105 176.117 -0.191 0.000 1.088 590 I CA 1.193 62.391 61.300 -0.169 0.000 1.357 590 I CB -0.209 37.692 38.000 -0.165 0.000 1.051 590 I HN 0.039 nan 8.210 nan 0.000 0.409 591 K N 0.857 121.079 120.400 -0.297 0.000 2.147 591 K HA -0.216 4.101 4.320 -0.005 0.000 0.205 591 K C 2.028 178.533 176.600 -0.159 0.000 1.049 591 K CA 1.216 57.343 56.287 -0.267 0.000 0.936 591 K CB -0.343 31.921 32.500 -0.393 0.000 0.722 591 K HN 0.140 nan 8.250 nan 0.000 0.446 592 K N 1.691 122.003 120.400 -0.146 0.000 2.025 592 K HA -0.094 4.223 4.320 -0.005 0.000 0.207 592 K C 0.145 176.701 176.600 -0.074 0.000 1.049 592 K CA 1.398 57.626 56.287 -0.098 0.000 0.933 592 K CB 0.227 32.673 32.500 -0.090 0.000 0.714 592 K HN 0.084 nan 8.250 nan 0.000 0.438 593 E N 0.017 120.171 120.200 -0.076 0.000 3.108 593 E HA 0.165 4.512 4.350 -0.005 0.000 0.228 593 E C -2.286 174.281 176.600 -0.055 0.000 1.176 593 E CA -1.656 54.712 56.400 -0.054 0.000 0.881 593 E CB 1.542 31.217 29.700 -0.042 0.000 1.354 593 E HN 0.103 nan 8.360 nan 0.000 0.400 594 P HA -0.188 nan 4.420 nan 0.000 0.216 594 P C 0.255 177.539 177.300 -0.026 0.000 1.153 594 P CA 1.346 64.416 63.100 -0.049 0.000 0.858 594 P CB 0.163 31.839 31.700 -0.040 0.000 0.789 595 N N -1.301 117.393 118.700 -0.011 0.000 2.370 595 N HA 0.010 4.747 4.740 -0.005 0.000 0.198 595 N C 0.525 176.052 175.510 0.028 0.000 1.156 595 N CA -0.069 52.987 53.050 0.010 0.000 0.839 595 N CB -0.012 38.481 38.487 0.010 0.000 0.989 595 N HN 0.135 nan 8.380 nan 0.000 0.468 596 K N 1.044 121.454 120.400 0.017 0.000 2.118 596 K HA 0.144 4.461 4.320 -0.005 0.000 0.267 596 K C -0.888 175.753 176.600 0.069 0.000 0.991 596 K CA -0.603 55.709 56.287 0.043 0.000 0.916 596 K CB 0.686 33.192 32.500 0.010 0.000 1.041 596 K HN -0.102 nan 8.250 nan 0.000 0.455 597 F N 4.462 124.400 119.950 -0.020 0.000 2.443 597 F HA 0.251 4.775 4.527 -0.005 0.000 0.353 597 F C -0.543 175.244 175.800 -0.022 0.000 1.101 597 F CA -0.149 57.840 58.000 -0.018 0.000 1.226 597 F CB 0.729 39.721 39.000 -0.013 0.000 1.140 597 F HN 0.191 nan 8.300 nan 0.000 0.557 598 V N 4.337 123.680 119.914 -0.951 0.000 2.841 598 V HA 0.531 4.648 4.120 -0.005 0.000 0.310 598 V C -0.854 174.661 176.094 -0.965 0.000 1.090 598 V CA -1.187 60.693 62.300 -0.700 0.000 0.930 598 V CB 0.891 32.501 31.823 -0.355 0.000 1.014 598 V HN 0.589 nan 8.190 nan 0.000 0.425 599 V N 5.146 124.717 119.914 -0.572 0.000 2.493 599 V HA 0.181 4.298 4.120 -0.005 0.000 0.292 599 V C -1.819 174.107 176.094 -0.280 0.000 1.016 599 V CA -0.400 61.696 62.300 -0.340 0.000 1.097 599 V CB 0.425 32.182 31.823 -0.109 0.000 0.947 599 V HN 0.900 nan 8.190 nan 0.000 0.479 600 P HA 0.264 nan 4.420 nan 0.000 0.268 600 P C -0.355 176.858 177.300 -0.145 0.000 1.204 600 P CA 0.155 63.170 63.100 -0.140 0.000 0.768 600 P CB 0.464 32.132 31.700 -0.054 0.000 0.842 601 R N 1.342 121.767 120.500 -0.125 0.000 2.725 601 R HA 0.568 4.905 4.340 -0.005 0.000 0.277 601 R C -0.871 175.382 176.300 -0.077 0.000 0.987 601 R CA -0.651 55.376 56.100 -0.123 0.000 0.901 601 R CB 2.088 32.298 30.300 -0.150 0.000 1.207 601 R HN 0.268 nan 8.270 nan 0.000 0.463 602 T N 1.958 116.477 114.554 -0.058 0.000 2.864 602 T HA 0.241 4.588 4.350 -0.005 0.000 0.310 602 T C -0.410 174.199 174.700 -0.152 0.000 1.040 602 T CA -0.465 61.560 62.100 -0.125 0.000 0.977 602 T CB 1.149 69.872 68.868 -0.241 0.000 0.976 602 T HN 0.142 nan 8.240 nan 0.000 0.459 603 V N 5.868 125.702 119.914 -0.133 0.000 2.385 603 V HA 0.429 4.546 4.120 -0.005 0.000 0.269 603 V C 0.096 176.107 176.094 -0.137 0.000 1.043 603 V CA -0.360 61.868 62.300 -0.120 0.000 0.906 603 V CB 0.694 32.461 31.823 -0.094 0.000 0.995 603 V HN 0.844 nan 8.190 nan 0.000 0.467 604 M N 6.624 126.134 119.600 -0.150 0.000 2.243 604 M HA 0.620 5.097 4.480 -0.005 0.000 0.324 604 M C -0.995 175.195 176.300 -0.185 0.000 1.031 604 M CA -0.167 55.035 55.300 -0.163 0.000 0.949 604 M CB 2.032 34.538 32.600 -0.158 0.000 1.615 604 M HN 0.425 nan 8.290 nan 0.000 0.430 605 I N 1.811 122.246 120.570 -0.226 0.000 2.498 605 I HA 0.843 5.010 4.170 -0.005 0.000 0.290 605 I C 0.004 175.768 176.117 -0.588 0.000 1.032 605 I CA -0.661 60.472 61.300 -0.278 0.000 1.073 605 I CB 2.359 40.283 38.000 -0.126 0.000 1.251 605 I HN 0.810 nan 8.210 nan 0.000 0.426 606 G N 2.907 111.341 108.800 -0.611 0.000 2.704 606 G HA2 0.819 4.776 3.960 -0.005 0.000 0.293 606 G HA3 0.819 4.776 3.960 -0.005 0.000 0.293 606 G C -1.060 173.546 174.900 -0.490 0.000 1.421 606 G CA -0.683 43.910 45.100 -0.846 0.000 0.870 606 G HN 1.001 nan 8.290 nan 0.000 0.492 607 G N -0.378 108.291 108.800 -0.218 0.000 2.329 607 G HA2 0.410 4.367 3.960 -0.005 0.000 0.308 607 G HA3 0.410 4.367 3.960 -0.005 0.000 0.308 607 G C -1.206 173.829 174.900 0.225 0.000 1.587 607 G CA -1.019 44.122 45.100 0.068 0.000 0.978 607 G HN 0.607 nan 8.290 nan 0.000 0.685 608 K N -0.169 120.364 120.400 0.221 0.000 2.098 608 K HA 0.766 5.083 4.320 -0.005 0.000 0.261 608 K C 0.258 176.984 176.600 0.210 0.000 0.987 608 K CA -0.154 56.279 56.287 0.244 0.000 0.916 608 K CB 1.971 34.528 32.500 0.095 0.000 1.039 608 K HN 0.890 nan 8.250 nan 0.000 0.455 609 A N 1.202 124.183 122.820 0.268 0.000 2.337 609 A HA 0.646 4.963 4.320 -0.005 0.000 0.329 609 A C -0.557 177.200 177.584 0.287 0.000 1.146 609 A CA -0.770 51.358 52.037 0.153 0.000 0.800 609 A CB 1.131 20.154 19.000 0.038 0.000 1.220 609 A HN 0.763 nan 8.150 nan 0.000 0.472 610 A N 3.526 126.503 122.820 0.261 0.000 2.511 610 A HA 0.463 4.780 4.320 -0.005 0.000 0.242 610 A C -1.363 176.347 177.584 0.210 0.000 1.069 610 A CA -0.734 51.479 52.037 0.293 0.000 0.763 610 A CB -0.404 18.764 19.000 0.280 0.000 1.001 610 A HN 0.607 nan 8.150 nan 0.000 0.498 611 P HA -0.180 nan 4.420 nan 0.000 0.218 611 P C 1.289 178.611 177.300 0.037 0.000 1.154 611 P CA 2.160 65.242 63.100 -0.029 0.000 0.872 611 P CB 0.198 31.833 31.700 -0.109 0.000 0.790 612 G N -3.182 105.671 108.800 0.088 0.000 3.284 612 G HA2 -0.058 3.899 3.960 -0.005 0.000 0.236 612 G HA3 -0.058 3.899 3.960 -0.005 0.000 0.236 612 G C -0.277 174.724 174.900 0.169 0.000 1.158 612 G CA -0.139 45.016 45.100 0.092 0.000 0.774 612 G HN 0.309 nan 8.290 nan 0.000 0.545 613 Y N 1.525 121.852 120.300 0.046 0.000 2.691 613 Y HA 0.200 4.747 4.550 -0.005 0.000 0.338 613 Y C 1.748 177.687 175.900 0.065 0.000 1.148 613 Y CA -1.134 56.995 58.100 0.047 0.000 1.430 613 Y CB 0.250 38.727 38.460 0.027 0.000 1.303 613 Y HN 0.355 nan 8.280 nan 0.000 0.499 614 H N 3.408 122.619 119.070 0.235 0.000 2.289 614 H HA -0.291 4.262 4.556 -0.005 0.000 0.296 614 H C 1.978 177.340 175.328 0.058 0.000 1.091 614 H CA 2.893 59.010 56.048 0.116 0.000 1.274 614 H CB 0.169 29.984 29.762 0.089 0.000 1.364 614 H HN 0.702 nan 8.280 nan 0.000 0.490 615 M N 0.299 119.848 119.600 -0.084 0.000 2.149 615 M HA -0.055 4.422 4.480 -0.005 0.000 0.261 615 M C 2.366 178.418 176.300 -0.413 0.000 1.064 615 M CA 1.868 57.030 55.300 -0.231 0.000 1.102 615 M CB -0.771 31.839 32.600 0.016 0.000 1.369 615 M HN 0.412 nan 8.290 nan 0.000 0.408 616 A N -0.547 121.809 122.820 -0.773 0.000 1.933 616 A HA -0.177 4.140 4.320 -0.005 0.000 0.218 616 A C 2.204 179.588 177.584 -0.333 0.000 1.175 616 A CA 1.771 53.375 52.037 -0.723 0.000 0.628 616 A CB -0.615 17.743 19.000 -1.071 0.000 0.814 616 A HN 0.573 nan 8.150 nan 0.000 0.444 617 K N -1.118 119.149 120.400 -0.222 0.000 2.217 617 K HA -0.012 4.305 4.320 -0.005 0.000 0.202 617 K C 1.817 178.380 176.600 -0.062 0.000 1.051 617 K CA 1.078 57.326 56.287 -0.065 0.000 0.952 617 K CB -0.162 32.375 32.500 0.062 0.000 0.736 617 K HN 0.347 nan 8.250 nan 0.000 0.453 618 M N 0.344 119.853 119.600 -0.150 0.000 2.254 618 M HA -0.041 4.436 4.480 -0.005 0.000 0.265 618 M C 2.007 178.243 176.300 -0.106 0.000 1.066 618 M CA 1.287 56.534 55.300 -0.089 0.000 1.123 618 M CB -0.457 32.063 32.600 -0.133 0.000 1.388 618 M HN 0.122 nan 8.290 nan 0.000 0.425 619 I N -0.276 120.194 120.570 -0.167 0.000 2.315 619 I HA -0.268 3.899 4.170 -0.005 0.000 0.248 619 I C 2.250 178.247 176.117 -0.200 0.000 1.117 619 I CA 0.923 62.117 61.300 -0.177 0.000 1.404 619 I CB -0.215 37.679 38.000 -0.176 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.691 121.126 120.570 -0.224 0.000 2.252 620 I HA -0.286 3.881 4.170 -0.005 0.000 0.245 620 I C 2.588 178.435 176.117 -0.450 0.000 1.102 620 I CA 1.169 62.253 61.300 -0.360 0.000 1.385 620 I CB -0.263 37.502 38.000 -0.391 0.000 1.064 620 I HN 0.146 nan 8.210 nan 0.000 0.414 621 K N 1.408 121.547 120.400 -0.434 0.000 2.057 621 K HA -0.203 4.114 4.320 -0.005 0.000 0.207 621 K C 1.972 178.409 176.600 -0.271 0.000 1.049 621 K CA 1.505 57.448 56.287 -0.575 0.000 0.931 621 K CB -0.576 31.305 32.500 -1.030 0.000 0.714 621 K HN 0.121 nan 8.250 nan 0.000 0.440 622 L N 0.742 121.840 121.223 -0.208 0.000 2.046 622 L HA -0.037 4.300 4.340 -0.005 0.000 0.208 622 L C 2.000 178.635 176.870 -0.392 0.000 1.077 622 L CA 1.643 56.196 54.840 -0.478 0.000 0.747 622 L CB -0.435 41.237 42.059 -0.645 0.000 0.896 622 L HN 0.289 nan 8.230 nan 0.000 0.432 623 I N -0.573 119.823 120.570 -0.290 0.000 2.163 623 I HA -0.342 3.825 4.170 -0.005 0.000 0.243 623 I C 2.439 178.453 176.117 -0.172 0.000 1.085 623 I CA 1.904 63.087 61.300 -0.196 0.000 1.347 623 I CB -0.868 37.106 38.000 -0.043 0.000 1.044 623 I HN 0.496 nan 8.210 nan 0.000 0.408 624 T N -0.862 113.564 114.554 -0.214 0.000 2.821 624 T HA -0.057 4.290 4.350 -0.005 0.000 0.267 624 T C 1.979 176.610 174.700 -0.115 0.000 1.046 624 T CA 0.913 62.916 62.100 -0.161 0.000 1.139 624 T CB -0.451 68.274 68.868 -0.238 0.000 0.871 624 T HN 0.342 nan 8.240 nan 0.000 0.454 625 A N 1.561 124.308 122.820 -0.123 0.000 1.902 625 A HA 0.140 4.457 4.320 -0.005 0.000 0.217 625 A C 2.385 179.960 177.584 -0.015 0.000 1.181 625 A CA 1.275 53.305 52.037 -0.012 0.000 0.623 625 A CB -0.828 18.259 19.000 0.145 0.000 0.818 625 A HN 0.584 nan 8.150 nan 0.000 0.443 626 I N -0.319 120.126 120.570 -0.209 0.000 2.226 626 I HA -0.204 3.963 4.170 -0.005 0.000 0.245 626 I C 2.695 178.749 176.117 -0.104 0.000 1.100 626 I CA 1.128 62.255 61.300 -0.289 0.000 1.374 626 I CB -0.587 37.140 38.000 -0.456 0.000 1.057 626 I HN 0.402 nan 8.210 nan 0.000 0.413 627 G N 0.344 109.096 108.800 -0.081 0.000 2.418 627 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.217 627 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.217 627 G C 1.242 176.180 174.900 0.062 0.000 1.158 627 G CA 0.895 45.981 45.100 -0.024 0.000 0.771 627 G HN 0.278 nan 8.290 nan 0.000 0.545 628 D N -0.001 120.442 120.400 0.071 0.000 2.182 628 D HA -0.081 4.556 4.640 -0.005 0.000 0.201 628 D C 2.679 179.063 176.300 0.139 0.000 0.986 628 D CA 0.658 54.723 54.000 0.108 0.000 0.847 628 D CB -0.085 40.717 40.800 0.005 0.000 0.942 628 D HN 0.267 nan 8.370 nan 0.000 0.467 629 V N -0.023 119.948 119.914 0.096 0.000 2.374 629 V HA -0.118 3.999 4.120 -0.005 0.000 0.241 629 V C 2.579 178.681 176.094 0.012 0.000 1.034 629 V CA 0.667 62.996 62.300 0.049 0.000 1.037 629 V CB -0.316 31.558 31.823 0.085 0.000 0.682 629 V HN 0.019 nan 8.190 nan 0.000 0.463 630 V N 1.121 120.981 119.914 -0.090 0.000 2.343 630 V HA -0.209 3.908 4.120 -0.005 0.000 0.247 630 V C 2.149 178.260 176.094 0.028 0.000 1.051 630 V CA 2.044 64.287 62.300 -0.096 0.000 1.036 630 V CB -0.896 30.848 31.823 -0.132 0.000 0.654 630 V HN 0.572 nan 8.190 nan 0.000 0.451 631 N N -0.260 118.445 118.700 0.007 0.000 2.512 631 N HA -0.093 4.644 4.740 -0.005 0.000 0.183 631 N C 1.133 176.476 175.510 -0.279 0.000 1.073 631 N CA 0.882 53.859 53.050 -0.122 0.000 0.911 631 N CB -0.261 38.114 38.487 -0.187 0.000 0.964 631 N HN 0.668 nan 8.380 nan 0.000 0.447 632 H N -1.326 117.758 119.070 0.023 0.000 2.674 632 H HA 0.208 4.761 4.556 -0.005 0.000 0.274 632 H C -0.529 174.827 175.328 0.046 0.000 1.121 632 H CA -0.523 55.541 56.048 0.026 0.000 1.132 632 H CB 0.517 30.285 29.762 0.010 0.000 1.606 632 H HN 0.005 nan 8.280 nan 0.000 0.558 633 D N 1.606 122.101 120.400 0.157 0.000 2.339 633 D HA 0.052 4.689 4.640 -0.005 0.000 0.241 633 D C -1.640 174.726 176.300 0.110 0.000 1.183 633 D CA -1.944 52.156 54.000 0.168 0.000 0.859 633 D CB 1.700 42.679 40.800 0.299 0.000 1.067 633 D HN 0.080 nan 8.370 nan 0.000 0.484 634 P HA -0.170 nan 4.420 nan 0.000 0.216 634 P C 1.595 178.920 177.300 0.042 0.000 1.153 634 P CA 0.592 63.723 63.100 0.052 0.000 0.858 634 P CB 0.389 32.115 31.700 0.043 0.000 0.789 635 V N -0.769 119.171 119.914 0.043 0.000 2.490 635 V HA -0.180 3.937 4.120 -0.005 0.000 0.250 635 V C 2.396 178.499 176.094 0.015 0.000 1.061 635 V CA 1.581 63.892 62.300 0.019 0.000 1.064 635 V CB -1.070 30.753 31.823 -0.000 0.000 0.670 635 V HN -0.007 nan 8.190 nan 0.000 0.461 636 V N -0.263 119.679 119.914 0.046 0.000 2.379 636 V HA 0.124 4.241 4.120 -0.005 0.000 0.245 636 V C 1.751 177.859 176.094 0.024 0.000 1.044 636 V CA 1.447 63.774 62.300 0.044 0.000 1.036 636 V CB -1.239 30.657 31.823 0.123 0.000 0.664 636 V HN 0.745 nan 8.190 nan 0.000 0.453 637 G N 1.589 110.407 108.800 0.029 0.000 2.547 637 G HA2 -0.352 3.605 3.960 -0.005 0.000 0.271 637 G HA3 -0.352 3.605 3.960 -0.005 0.000 0.271 637 G C 0.059 174.968 174.900 0.015 0.000 1.209 637 G CA 0.424 45.536 45.100 0.020 0.000 0.959 637 G HN 0.733 nan 8.290 nan 0.000 0.563 638 D N -0.216 120.195 120.400 0.018 0.000 2.587 638 D HA 0.322 4.959 4.640 -0.005 0.000 0.233 638 D C 1.622 177.921 176.300 -0.001 0.000 1.213 638 D CA -0.071 53.939 54.000 0.017 0.000 0.827 638 D CB 0.123 40.951 40.800 0.048 0.000 1.006 638 D HN 0.579 nan 8.370 nan 0.000 0.490 639 R N -0.710 119.778 120.500 -0.019 0.000 2.210 639 R HA 0.262 4.599 4.340 -0.005 0.000 0.203 639 R C -0.196 176.063 176.300 -0.067 0.000 1.010 639 R CA 0.128 56.193 56.100 -0.058 0.000 1.008 639 R CB 0.343 30.593 30.300 -0.084 0.000 0.923 639 R HN 0.162 nan 8.270 nan 0.000 0.469 640 L N 0.638 121.838 121.223 -0.038 0.000 2.505 640 L HA 0.407 4.744 4.340 -0.005 0.000 0.266 640 L C -1.662 175.188 176.870 -0.034 0.000 0.954 640 L CA -0.539 54.276 54.840 -0.042 0.000 0.852 640 L CB 1.823 43.870 42.059 -0.019 0.000 1.282 640 L HN -0.183 nan 8.230 nan 0.000 0.403 641 R N 3.910 124.374 120.500 -0.060 0.000 2.621 641 R HA 0.762 5.099 4.340 -0.005 0.000 0.284 641 R C -1.659 174.589 176.300 -0.087 0.000 0.998 641 R CA -0.787 55.270 56.100 -0.072 0.000 0.895 641 R CB 2.340 32.589 30.300 -0.086 0.000 1.195 641 R HN 0.402 nan 8.270 nan 0.000 0.450 642 V N 4.853 124.720 119.914 -0.079 0.000 2.376 642 V HA 0.467 4.584 4.120 -0.005 0.000 0.287 642 V C -0.174 175.882 176.094 -0.063 0.000 1.015 642 V CA -0.700 61.552 62.300 -0.080 0.000 0.834 642 V CB 1.712 33.485 31.823 -0.083 0.000 1.001 642 V HN 0.489 nan 8.190 nan 0.000 0.428 643 I N 4.802 125.327 120.570 -0.075 0.000 2.465 643 I HA 0.434 4.601 4.170 -0.005 0.000 0.291 643 I C -0.639 175.457 176.117 -0.035 0.000 1.014 643 I CA -0.667 60.599 61.300 -0.057 0.000 1.093 643 I CB 1.873 39.809 38.000 -0.108 0.000 1.267 643 I HN 0.562 nan 8.210 nan 0.000 0.431 644 F N 6.746 126.628 119.950 -0.113 0.000 2.391 644 F HA 0.453 4.978 4.527 -0.005 0.000 0.359 644 F C -0.286 175.445 175.800 -0.115 0.000 1.122 644 F CA -0.550 57.386 58.000 -0.107 0.000 1.120 644 F CB 0.790 39.731 39.000 -0.098 0.000 1.142 644 F HN 0.252 nan 8.300 nan 0.000 0.483 645 L N 6.229 127.065 121.223 -0.646 0.000 2.407 645 L HA 0.191 4.528 4.340 -0.005 0.000 0.282 645 L C 0.399 177.043 176.870 -0.377 0.000 1.110 645 L CA -0.103 54.493 54.840 -0.406 0.000 0.863 645 L CB 0.418 42.325 42.059 -0.253 0.000 1.207 645 L HN 0.649 nan 8.230 nan 0.000 0.454 646 E N 3.906 124.025 120.200 -0.136 0.000 2.373 646 E HA -0.068 4.279 4.350 -0.005 0.000 0.267 646 E C 0.423 177.114 176.600 0.152 0.000 1.032 646 E CA -0.312 56.154 56.400 0.109 0.000 0.889 646 E CB 0.430 30.183 29.700 0.089 0.000 0.984 646 E HN 0.553 nan 8.360 nan 0.000 0.425 647 N N 2.569 121.410 118.700 0.235 0.000 2.725 647 N HA -0.283 4.454 4.740 -0.005 0.000 0.251 647 N C -1.515 174.108 175.510 0.188 0.000 1.031 647 N CA 0.542 53.721 53.050 0.215 0.000 0.720 647 N CB -1.577 37.046 38.487 0.227 0.000 0.930 647 N HN 0.480 nan 8.380 nan 0.000 0.543 648 Y N 1.469 121.795 120.300 0.044 0.000 2.721 648 Y HA 0.145 4.691 4.550 -0.005 0.000 0.329 648 Y C 1.140 177.069 175.900 0.048 0.000 1.211 648 Y CA 0.638 58.748 58.100 0.017 0.000 1.512 648 Y CB 0.290 38.728 38.460 -0.036 0.000 1.249 648 Y HN 0.375 nan 8.280 nan 0.000 0.549 649 R N 2.438 122.624 120.500 -0.523 0.000 2.762 649 R HA 0.482 4.819 4.340 -0.005 0.000 0.271 649 R C -0.361 175.609 176.300 -0.551 0.000 1.038 649 R CA -0.605 55.247 56.100 -0.413 0.000 0.906 649 R CB 0.341 30.581 30.300 -0.101 0.000 1.259 649 R HN 0.340 nan 8.270 nan 0.000 0.457 650 V N 0.778 120.409 119.914 -0.471 0.000 2.282 650 V HA -0.256 3.861 4.120 -0.005 0.000 0.249 650 V C 2.222 178.198 176.094 -0.197 0.000 1.057 650 V CA 2.659 64.748 62.300 -0.352 0.000 1.032 650 V CB -0.684 30.919 31.823 -0.367 0.000 0.645 650 V HN 0.830 nan 8.190 nan 0.000 0.447 651 S N -0.223 115.381 115.700 -0.159 0.000 2.370 651 S HA -0.185 4.282 4.470 -0.005 0.000 0.226 651 S C 1.840 176.392 174.600 -0.080 0.000 1.033 651 S CA 1.797 59.933 58.200 -0.107 0.000 1.011 651 S CB -0.398 62.770 63.200 -0.052 0.000 0.852 651 S HN 0.444 nan 8.310 nan 0.000 0.457 652 L N 1.570 122.755 121.223 -0.064 0.000 2.156 652 L HA 0.148 4.485 4.340 -0.005 0.000 0.208 652 L C 2.253 179.141 176.870 0.030 0.000 1.095 652 L CA 1.526 56.376 54.840 0.017 0.000 0.770 652 L CB -0.971 41.158 42.059 0.117 0.000 0.914 652 L HN 0.231 nan 8.230 nan 0.000 0.439 653 A N -0.721 122.086 122.820 -0.022 0.000 1.933 653 A HA -0.205 4.112 4.320 -0.005 0.000 0.218 653 A C 2.113 179.757 177.584 0.100 0.000 1.175 653 A CA 1.669 53.769 52.037 0.105 0.000 0.628 653 A CB -0.554 18.488 19.000 0.068 0.000 0.814 653 A HN 0.595 nan 8.150 nan 0.000 0.444 654 E N -0.327 119.909 120.200 0.060 0.000 2.268 654 E HA -0.149 4.198 4.350 -0.005 0.000 0.195 654 E C 1.819 178.381 176.600 -0.063 0.000 0.995 654 E CA 1.100 57.492 56.400 -0.013 0.000 0.836 654 E CB -0.038 29.567 29.700 -0.158 0.000 0.763 654 E HN 0.617 nan 8.360 nan 0.000 0.491 655 K N 0.110 120.456 120.400 -0.090 0.000 2.141 655 K HA 0.026 4.343 4.320 -0.005 0.000 0.202 655 K C 2.193 178.599 176.600 -0.323 0.000 1.045 655 K CA 0.434 56.648 56.287 -0.122 0.000 0.971 655 K CB -0.034 32.402 32.500 -0.107 0.000 0.795 655 K HN -0.046 nan 8.250 nan 0.000 0.459 656 V N 2.088 121.724 119.914 -0.462 0.000 2.379 656 V HA -0.155 3.962 4.120 -0.005 0.000 0.245 656 V C 1.948 177.793 176.094 -0.414 0.000 1.044 656 V CA 1.297 63.100 62.300 -0.829 0.000 1.036 656 V CB -0.194 31.295 31.823 -0.557 0.000 0.664 656 V HN 0.243 nan 8.190 nan 0.000 0.453 657 I N 0.622 121.011 120.570 -0.300 0.000 2.163 657 I HA -0.162 4.005 4.170 -0.005 0.000 0.243 657 I C -0.195 175.814 176.117 -0.179 0.000 1.085 657 I CA 1.839 62.902 61.300 -0.395 0.000 1.347 657 I CB -1.606 36.038 38.000 -0.592 0.000 1.044 657 I HN 0.369 nan 8.210 nan 0.000 0.408 658 P HA -0.120 nan 4.420 nan 0.000 0.222 658 P C 0.971 178.269 177.300 -0.003 0.000 1.147 658 P CA 1.291 64.368 63.100 -0.037 0.000 0.790 658 P CB 0.043 31.727 31.700 -0.027 0.000 0.780 659 A N -1.249 121.552 122.820 -0.032 0.000 2.238 659 A HA 0.467 4.784 4.320 -0.005 0.000 0.210 659 A C 1.177 178.865 177.584 0.173 0.000 1.179 659 A CA 0.120 52.194 52.037 0.062 0.000 0.827 659 A CB -0.650 18.401 19.000 0.086 0.000 0.856 659 A HN 0.194 nan 8.150 nan 0.000 0.488 660 A N -0.163 122.763 122.820 0.176 0.000 2.371 660 A HA 0.466 4.783 4.320 -0.005 0.000 0.257 660 A C 0.383 178.109 177.584 0.236 0.000 1.089 660 A CA -0.070 52.130 52.037 0.272 0.000 0.794 660 A CB 0.344 19.591 19.000 0.412 0.000 1.029 660 A HN 0.269 nan 8.150 nan 0.000 0.488 661 D N -0.145 120.387 120.400 0.220 0.000 2.463 661 D HA 0.129 4.766 4.640 -0.005 0.000 0.237 661 D C -0.334 176.173 176.300 0.345 0.000 1.013 661 D CA 0.735 54.909 54.000 0.290 0.000 0.910 661 D CB 0.318 41.184 40.800 0.109 0.000 1.080 661 D HN 0.330 nan 8.370 nan 0.000 0.498 662 L N 0.597 121.906 121.223 0.143 0.000 2.381 662 L HA 0.374 4.711 4.340 -0.005 0.000 0.274 662 L C -0.800 175.949 176.870 -0.202 0.000 0.988 662 L CA -0.546 54.307 54.840 0.021 0.000 0.824 662 L CB 2.134 44.183 42.059 -0.017 0.000 1.263 662 L HN -0.283 nan 8.230 nan 0.000 0.410 663 S N 4.044 119.539 115.700 -0.342 0.000 2.429 663 S HA 0.468 4.935 4.470 -0.005 0.000 0.302 663 S C -0.651 173.685 174.600 -0.440 0.000 1.115 663 S CA -0.631 57.129 58.200 -0.734 0.000 1.095 663 S CB 0.406 63.124 63.200 -0.803 0.000 0.987 663 S HN 0.626 nan 8.310 nan 0.000 0.474 664 E N 4.083 124.035 120.200 -0.413 0.000 2.089 664 E HA 0.220 4.567 4.350 -0.005 0.000 0.284 664 E C -0.577 175.920 176.600 -0.171 0.000 1.023 664 E CA -0.427 55.854 56.400 -0.198 0.000 0.819 664 E CB 1.035 30.646 29.700 -0.148 0.000 1.076 664 E HN 0.594 nan 8.360 nan 0.000 0.396 665 Q N 2.794 122.547 119.800 -0.077 0.000 3.064 665 Q HA 0.272 4.609 4.340 -0.005 0.000 0.258 665 Q C 0.523 176.521 176.000 -0.004 0.000 0.972 665 Q CA -0.139 55.632 55.803 -0.054 0.000 0.761 665 Q CB 0.306 29.023 28.738 -0.035 0.000 1.281 665 Q HN 0.613 nan 8.270 nan 0.000 0.455 666 I N -1.474 119.083 120.570 -0.022 0.000 3.637 666 I HA 0.292 4.459 4.170 -0.005 0.000 0.342 666 I C 0.351 176.431 176.117 -0.063 0.000 1.545 666 I CA -0.676 60.624 61.300 0.000 0.000 1.126 666 I CB 0.350 38.360 38.000 0.016 0.000 1.375 666 I HN 0.005 nan 8.210 nan 0.000 0.467 667 S N 0.268 115.928 115.700 -0.066 0.000 2.579 667 S HA 0.237 4.704 4.470 -0.005 0.000 0.275 667 S C 0.547 175.136 174.600 -0.017 0.000 1.345 667 S CA -0.320 57.858 58.200 -0.038 0.000 1.031 667 S CB 0.570 63.792 63.200 0.037 0.000 0.892 667 S HN 0.392 nan 8.310 nan 0.000 0.529 668 T N 2.719 117.295 114.554 0.037 0.000 2.902 668 T HA 0.387 4.734 4.350 -0.005 0.000 0.301 668 T C 0.741 175.457 174.700 0.027 0.000 1.012 668 T CA 0.225 62.354 62.100 0.048 0.000 1.151 668 T CB 0.025 68.994 68.868 0.168 0.000 0.946 668 T HN 1.001 nan 8.240 nan 0.000 0.542 669 A N 2.742 125.546 122.820 -0.026 0.000 2.580 669 A HA 0.446 4.763 4.320 -0.005 0.000 0.244 669 A C 1.634 179.214 177.584 -0.006 0.000 1.045 669 A CA 0.313 52.330 52.037 -0.033 0.000 0.761 669 A CB -0.896 18.071 19.000 -0.055 0.000 0.962 669 A HN 1.705 nan 8.150 nan 0.000 0.512 670 G N 1.429 110.224 108.800 -0.008 0.000 2.175 670 G HA2 -0.233 3.724 3.960 -0.005 0.000 0.244 670 G HA3 -0.233 3.724 3.960 -0.005 0.000 0.244 670 G C 0.812 175.704 174.900 -0.014 0.000 0.982 670 G CA 1.133 46.229 45.100 -0.006 0.000 0.641 670 G HN 2.002 nan 8.290 nan 0.000 0.527 671 T N -2.702 111.842 114.554 -0.016 0.000 2.999 671 T HA 0.419 4.766 4.350 -0.005 0.000 0.247 671 T C 0.707 175.266 174.700 -0.235 0.000 1.012 671 T CA 1.011 63.039 62.100 -0.119 0.000 1.048 671 T CB 0.601 69.447 68.868 -0.037 0.000 1.020 671 T HN 0.270 nan 8.240 nan 0.000 0.478 672 E N 1.591 121.779 120.200 -0.020 0.000 2.044 672 E HA 0.675 5.022 4.350 -0.005 0.000 0.282 672 E C 1.184 177.735 176.600 -0.081 0.000 1.031 672 E CA 0.055 56.483 56.400 0.046 0.000 0.824 672 E CB 0.791 30.571 29.700 0.134 0.000 1.076 672 E HN 0.336 nan 8.360 nan 0.000 0.395 673 A N 3.445 126.135 122.820 -0.217 0.000 1.884 673 A HA -0.249 4.068 4.320 -0.005 0.000 0.219 673 A C 1.987 179.445 177.584 -0.211 0.000 1.197 673 A CA 2.417 54.185 52.037 -0.448 0.000 0.637 673 A CB -0.347 18.172 19.000 -0.801 0.000 0.827 673 A HN 0.611 nan 8.150 nan 0.000 0.450 674 S N -4.060 111.576 115.700 -0.106 0.000 3.984 674 S HA 0.455 4.922 4.470 -0.005 0.000 0.221 674 S C 0.661 175.254 174.600 -0.011 0.000 1.149 674 S CA 1.395 59.581 58.200 -0.023 0.000 0.950 674 S CB -0.055 63.157 63.200 0.019 0.000 1.216 674 S HN 2.324 nan 8.310 nan 0.000 0.547 675 G N 0.312 109.108 108.800 -0.006 0.000 2.721 675 G HA2 -0.027 3.930 3.960 -0.005 0.000 0.686 675 G HA3 -0.027 3.930 3.960 -0.005 0.000 0.686 675 G C 0.222 175.108 174.900 -0.023 0.000 1.236 675 G CA 0.449 45.543 45.100 -0.010 0.000 0.786 675 G HN 1.312 nan 8.290 nan 0.000 0.616 676 T N -1.974 112.553 114.554 -0.046 0.000 3.029 676 T HA 0.375 4.722 4.350 -0.005 0.000 0.256 676 T C 2.354 176.964 174.700 -0.151 0.000 0.914 676 T CA 1.251 63.298 62.100 -0.089 0.000 0.880 676 T CB 0.320 69.126 68.868 -0.104 0.000 1.246 676 T HN 1.894 nan 8.240 nan 0.000 0.523 677 G N 3.074 111.811 108.800 -0.105 0.000 2.432 677 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.219 677 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.219 677 G C 1.456 176.410 174.900 0.090 0.000 1.135 677 G CA 1.133 46.190 45.100 -0.072 0.000 0.767 677 G HN 0.832 nan 8.290 nan 0.000 0.550 678 N N 0.109 118.843 118.700 0.056 0.000 2.149 678 N HA -0.136 4.600 4.740 -0.005 0.000 0.188 678 N C 2.201 177.720 175.510 0.015 0.000 1.019 678 N CA 1.273 54.361 53.050 0.064 0.000 0.857 678 N CB -0.347 38.131 38.487 -0.015 0.000 0.997 678 N HN 0.343 nan 8.380 nan 0.000 0.426 679 M N 0.810 120.355 119.600 -0.092 0.000 2.200 679 M HA -0.019 4.458 4.480 -0.005 0.000 0.265 679 M C 1.993 178.252 176.300 -0.070 0.000 1.066 679 M CA 1.413 56.641 55.300 -0.120 0.000 1.127 679 M CB -0.074 32.469 32.600 -0.094 0.000 1.379 679 M HN 0.093 nan 8.290 nan 0.000 0.420 680 K N 0.071 120.360 120.400 -0.185 0.000 2.057 680 K HA -0.119 4.198 4.320 -0.005 0.000 0.207 680 K C 1.704 178.195 176.600 -0.182 0.000 1.049 680 K CA 1.413 57.528 56.287 -0.288 0.000 0.931 680 K CB -0.296 31.801 32.500 -0.673 0.000 0.714 680 K HN 0.152 nan 8.250 nan 0.000 0.440 681 F N 1.068 120.957 119.950 -0.101 0.000 2.146 681 F HA -0.108 4.416 4.527 -0.006 0.000 0.298 681 F C 2.571 178.353 175.800 -0.030 0.000 1.096 681 F CA 1.171 59.136 58.000 -0.059 0.000 1.275 681 F CB -0.312 38.642 39.000 -0.076 0.000 1.008 681 F HN -0.014 nan 8.300 nan 0.000 0.480 682 M N -0.405 119.288 119.600 0.156 0.000 2.108 682 M HA -0.207 4.270 4.480 -0.005 0.000 0.261 682 M C 2.100 178.460 176.300 0.101 0.000 1.066 682 M CA 1.602 56.964 55.300 0.103 0.000 1.107 682 M CB -0.258 32.389 32.600 0.079 0.000 1.356 682 M HN 0.264 nan 8.290 nan 0.000 0.406 683 L N 0.752 122.032 121.223 0.095 0.000 2.275 683 L HA -0.073 4.264 4.340 -0.005 0.000 0.215 683 L C 1.232 178.156 176.870 0.089 0.000 1.119 683 L CA 1.555 56.458 54.840 0.106 0.000 0.790 683 L CB -0.561 41.570 42.059 0.120 0.000 0.919 683 L HN 0.341 nan 8.230 nan 0.000 0.443 684 N N -0.203 118.541 118.700 0.074 0.000 2.251 684 N HA 0.187 4.924 4.740 -0.005 0.000 0.217 684 N C 0.860 176.415 175.510 0.074 0.000 1.124 684 N CA 0.777 53.864 53.050 0.062 0.000 0.843 684 N CB 0.610 39.112 38.487 0.025 0.000 1.024 684 N HN 0.391 nan 8.380 nan 0.000 0.501 685 G N 0.447 109.296 108.800 0.082 0.000 2.132 685 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.228 685 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.228 685 G C -0.026 174.952 174.900 0.130 0.000 1.000 685 G CA 0.124 45.275 45.100 0.084 0.000 0.693 685 G HN 0.525 nan 8.290 nan 0.000 0.515 686 A N -0.249 122.656 122.820 0.142 0.000 2.340 686 A HA 0.883 5.200 4.320 -0.005 0.000 0.331 686 A C 0.330 177.931 177.584 0.028 0.000 1.140 686 A CA -0.643 51.495 52.037 0.168 0.000 0.801 686 A CB 1.105 20.258 19.000 0.254 0.000 1.234 686 A HN 0.683 nan 8.150 nan 0.000 0.469 687 L N 0.873 122.079 121.223 -0.029 0.000 2.421 687 L HA 0.462 4.799 4.340 -0.005 0.000 0.263 687 L C 0.175 176.923 176.870 -0.204 0.000 1.122 687 L CA -0.344 54.372 54.840 -0.207 0.000 0.804 687 L CB 1.569 43.414 42.059 -0.355 0.000 1.150 687 L HN 0.704 nan 8.230 nan 0.000 0.457 688 T N 2.718 117.013 114.554 -0.432 0.000 2.797 688 T HA 0.475 4.822 4.350 -0.005 0.000 0.279 688 T C -0.453 174.084 174.700 -0.273 0.000 0.991 688 T CA -0.278 61.537 62.100 -0.475 0.000 0.979 688 T CB 1.660 70.046 68.868 -0.804 0.000 0.943 688 T HN 0.363 nan 8.240 nan 0.000 0.444 689 I N 2.766 123.292 120.570 -0.073 0.000 2.362 689 I HA 0.736 4.903 4.170 -0.005 0.000 0.289 689 I C 0.040 176.299 176.117 0.238 0.000 0.994 689 I CA 0.039 61.421 61.300 0.136 0.000 1.158 689 I CB 0.442 38.462 38.000 0.034 0.000 1.315 689 I HN 0.799 nan 8.210 nan 0.000 0.451 690 G N 3.995 113.014 108.800 0.365 0.000 2.550 690 G HA2 0.458 4.415 3.960 -0.005 0.000 0.293 690 G HA3 0.458 4.415 3.960 -0.005 0.000 0.293 690 G C -0.977 173.839 174.900 -0.140 0.000 1.402 690 G CA -0.340 44.890 45.100 0.218 0.000 0.784 690 G HN 0.583 nan 8.290 nan 0.000 0.482 691 T N -1.617 112.746 114.554 -0.318 0.000 2.881 691 T HA 0.543 4.890 4.350 -0.005 0.000 0.278 691 T C 0.648 175.236 174.700 -0.186 0.000 0.982 691 T CA -0.727 61.104 62.100 -0.447 0.000 0.989 691 T CB 1.262 69.887 68.868 -0.406 0.000 1.058 691 T HN 0.256 nan 8.240 nan 0.000 0.529 692 M N 2.832 122.332 119.600 -0.166 0.000 3.436 692 M HA 0.330 4.807 4.480 -0.005 0.000 0.240 692 M C -0.471 175.780 176.300 -0.081 0.000 1.469 692 M CA -0.101 55.138 55.300 -0.101 0.000 1.622 692 M CB -1.761 30.787 32.600 -0.087 0.000 1.098 692 M HN 0.730 nan 8.290 nan 0.000 0.568 693 D N -0.127 120.232 120.400 -0.068 0.000 2.601 693 D HA 0.680 5.317 4.640 -0.005 0.000 0.230 693 D C 0.741 177.024 176.300 -0.028 0.000 1.106 693 D CA 0.697 54.671 54.000 -0.044 0.000 0.873 693 D CB 1.734 42.511 40.800 -0.040 0.000 1.515 693 D HN 0.588 nan 8.370 nan 0.000 0.468 694 G N 1.653 110.445 108.800 -0.014 0.000 2.627 694 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.312 694 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.312 694 G C 1.073 175.972 174.900 -0.003 0.000 1.299 694 G CA 1.205 46.301 45.100 -0.006 0.000 0.989 694 G HN 1.067 nan 8.290 nan 0.000 0.547 695 A N -0.462 122.355 122.820 -0.005 0.000 2.168 695 A HA 0.052 4.369 4.320 -0.005 0.000 0.215 695 A C 2.133 179.667 177.584 -0.084 0.000 1.152 695 A CA 1.968 54.001 52.037 -0.007 0.000 0.716 695 A CB -0.480 18.513 19.000 -0.012 0.000 0.794 695 A HN 0.643 nan 8.150 nan 0.000 0.465 696 N N 0.472 119.126 118.700 -0.076 0.000 2.137 696 N HA -0.155 4.582 4.740 -0.005 0.000 0.190 696 N C 1.565 176.958 175.510 -0.194 0.000 1.017 696 N CA 1.590 54.587 53.050 -0.087 0.000 0.859 696 N CB -0.605 37.882 38.487 0.001 0.000 1.002 696 N HN 0.294 nan 8.380 nan 0.000 0.428 697 V N 1.194 121.035 119.914 -0.122 0.000 2.295 697 V HA -0.212 3.905 4.120 -0.005 0.000 0.246 697 V C 1.958 177.978 176.094 -0.123 0.000 1.049 697 V CA 1.682 63.907 62.300 -0.125 0.000 1.024 697 V CB -0.468 31.316 31.823 -0.065 0.000 0.648 697 V HN 0.363 nan 8.190 nan 0.000 0.447 698 E N -0.576 119.603 120.200 -0.035 0.000 2.152 698 E HA -0.134 4.213 4.350 -0.005 0.000 0.192 698 E C 2.216 178.900 176.600 0.140 0.000 0.983 698 E CA 1.062 57.513 56.400 0.084 0.000 0.818 698 E CB -0.185 29.652 29.700 0.228 0.000 0.758 698 E HN 0.541 nan 8.360 nan 0.000 0.467 699 M N 0.517 120.075 119.600 -0.071 0.000 2.117 699 M HA -0.135 4.342 4.480 -0.005 0.000 0.262 699 M C 2.491 178.504 176.300 -0.479 0.000 1.065 699 M CA 1.517 56.675 55.300 -0.237 0.000 1.114 699 M CB -0.183 32.154 32.600 -0.439 0.000 1.361 699 M HN 0.132 nan 8.290 nan 0.000 0.408 700 A N -0.151 122.139 122.820 -0.883 0.000 1.933 700 A HA -0.208 4.109 4.320 -0.005 0.000 0.218 700 A C 1.994 179.366 177.584 -0.354 0.000 1.175 700 A CA 1.899 53.375 52.037 -0.934 0.000 0.628 700 A CB -0.760 17.763 19.000 -0.795 0.000 0.814 700 A HN 0.582 nan 8.150 nan 0.000 0.444 701 E N -0.419 119.650 120.200 -0.217 0.000 2.072 701 E HA -0.200 4.147 4.350 -0.005 0.000 0.191 701 E C 1.770 178.337 176.600 -0.056 0.000 0.985 701 E CA 1.170 57.508 56.400 -0.103 0.000 0.801 701 E CB -0.052 29.610 29.700 -0.064 0.000 0.750 701 E HN 0.544 nan 8.360 nan 0.000 0.452 702 E N 0.135 120.327 120.200 -0.013 0.000 2.047 702 E HA -0.125 4.222 4.350 -0.005 0.000 0.191 702 E C 1.864 178.479 176.600 0.026 0.000 0.987 702 E CA 1.143 57.562 56.400 0.032 0.000 0.799 702 E CB -0.178 29.604 29.700 0.137 0.000 0.752 702 E HN 0.353 nan 8.360 nan 0.000 0.449 703 A N 0.347 123.179 122.820 0.020 0.000 2.072 703 A HA 0.328 4.645 4.320 -0.005 0.000 0.216 703 A C 1.048 178.638 177.584 0.010 0.000 1.156 703 A CA 1.129 53.193 52.037 0.044 0.000 0.701 703 A CB 0.032 19.106 19.000 0.124 0.000 0.816 703 A HN 0.257 nan 8.150 nan 0.000 0.458 704 G N -0.557 108.223 108.800 -0.034 0.000 3.225 704 G HA2 -0.070 3.887 3.960 -0.005 0.000 0.686 704 G HA3 -0.070 3.887 3.960 -0.005 0.000 0.686 704 G C -0.059 174.816 174.900 -0.042 0.000 1.105 704 G CA -0.016 45.062 45.100 -0.037 0.000 0.831 704 G HN 0.226 nan 8.290 nan 0.000 0.578 705 E N 0.599 120.765 120.200 -0.056 0.000 2.209 705 E HA -0.192 4.155 4.350 -0.005 0.000 0.196 705 E C 2.249 178.833 176.600 -0.028 0.000 0.993 705 E CA 1.334 57.709 56.400 -0.041 0.000 0.819 705 E CB 0.125 29.800 29.700 -0.041 0.000 0.745 705 E HN 0.785 nan 8.360 nan 0.000 0.477 706 E N 0.763 120.935 120.200 -0.047 0.000 2.418 706 E HA -0.120 4.227 4.350 -0.005 0.000 0.197 706 E C 0.782 177.294 176.600 -0.146 0.000 1.026 706 E CA 0.620 56.971 56.400 -0.082 0.000 0.862 706 E CB -0.053 29.612 29.700 -0.059 0.000 0.799 706 E HN 0.176 nan 8.360 nan 0.000 0.518 707 N N -0.180 118.462 118.700 -0.097 0.000 2.238 707 N HA 0.164 4.901 4.740 -0.005 0.000 0.222 707 N C -1.125 174.311 175.510 -0.123 0.000 1.133 707 N CA 0.008 52.975 53.050 -0.138 0.000 0.854 707 N CB 0.273 38.734 38.487 -0.043 0.000 1.041 707 N HN 0.028 nan 8.380 nan 0.000 0.510 708 F N -0.376 119.348 119.950 -0.376 0.000 2.588 708 F HA 0.425 4.949 4.527 -0.006 0.000 0.314 708 F C -0.817 174.730 175.800 -0.421 0.000 1.069 708 F CA -1.141 56.671 58.000 -0.314 0.000 0.931 708 F CB 1.331 40.246 39.000 -0.141 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 5.207 125.139 119.950 -0.029 0.000 2.300 709 F HA 0.384 4.908 4.527 -0.005 0.000 0.364 709 F C -0.280 175.636 175.800 0.194 0.000 1.090 709 F CA -0.601 57.427 58.000 0.047 0.000 1.200 709 F CB -0.014 38.961 39.000 -0.041 0.000 1.493 709 F HN -0.012 nan 8.300 nan 0.000 0.518 710 I N 4.048 124.812 120.570 0.323 0.000 2.440 710 I HA 0.380 4.547 4.170 -0.005 0.000 0.294 710 I C -0.088 176.210 176.117 0.302 0.000 0.995 710 I CA -0.672 60.787 61.300 0.265 0.000 1.306 710 I CB 0.762 38.847 38.000 0.141 0.000 1.407 710 I HN 0.360 nan 8.210 nan 0.000 0.501 711 F N 2.338 122.355 119.950 0.112 0.000 2.711 711 F HA 0.848 5.371 4.527 -0.006 0.000 0.313 711 F C -0.042 175.802 175.800 0.072 0.000 1.141 711 F CA -0.509 57.547 58.000 0.093 0.000 0.941 711 F CB 1.137 40.204 39.000 0.112 0.000 1.349 711 F HN 0.814 nan 8.300 nan 0.000 0.464 712 G N 0.974 109.836 108.800 0.105 0.000 2.796 712 G HA2 -0.063 3.894 3.960 -0.005 0.000 0.571 712 G HA3 -0.063 3.894 3.960 -0.005 0.000 0.571 712 G C -0.893 173.980 174.900 -0.044 0.000 1.370 712 G CA -0.598 44.494 45.100 -0.013 0.000 0.856 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.757 120.344 119.600 -0.022 0.000 2.252 713 M HA 0.268 4.745 4.480 -0.005 0.000 0.333 713 M C 1.213 177.483 176.300 -0.051 0.000 1.111 713 M CA 0.075 55.368 55.300 -0.011 0.000 1.140 713 M CB 0.343 32.945 32.600 0.003 0.000 1.538 713 M HN 0.515 nan 8.290 nan 0.000 0.448 714 R N 1.408 121.889 120.500 -0.030 0.000 2.608 714 R HA 0.321 4.658 4.340 -0.005 0.000 0.255 714 R C 1.214 177.497 176.300 -0.029 0.000 1.086 714 R CA -0.563 55.513 56.100 -0.039 0.000 1.125 714 R CB 0.247 30.530 30.300 -0.027 0.000 1.193 714 R HN 0.568 nan 8.270 nan 0.000 0.553 715 V N 1.574 121.470 119.914 -0.030 0.000 2.324 715 V HA -0.285 3.832 4.120 -0.005 0.000 0.250 715 V C 1.864 177.949 176.094 -0.015 0.000 1.060 715 V CA 2.070 64.356 62.300 -0.023 0.000 1.042 715 V CB -0.461 31.347 31.823 -0.026 0.000 0.650 715 V HN 0.631 nan 8.190 nan 0.000 0.450 716 E N 0.162 120.355 120.200 -0.012 0.000 2.118 716 E HA -0.193 4.154 4.350 -0.005 0.000 0.195 716 E C 1.944 178.547 176.600 0.006 0.000 0.992 716 E CA 1.425 57.823 56.400 -0.004 0.000 0.804 716 E CB -0.428 29.270 29.700 -0.003 0.000 0.741 716 E HN 0.623 nan 8.360 nan 0.000 0.458 717 D N -0.163 120.242 120.400 0.009 0.000 2.117 717 D HA -0.102 4.535 4.640 -0.005 0.000 0.198 717 D C 1.998 178.313 176.300 0.024 0.000 0.982 717 D CA 0.898 54.913 54.000 0.024 0.000 0.828 717 D CB -0.182 40.635 40.800 0.029 0.000 0.967 717 D HN 0.065 nan 8.370 nan 0.000 0.464 718 V N 1.900 121.817 119.914 0.005 0.000 2.343 718 V HA -0.205 3.912 4.120 -0.005 0.000 0.247 718 V C 1.991 178.085 176.094 0.000 0.000 1.051 718 V CA 1.627 63.922 62.300 -0.008 0.000 1.036 718 V CB -0.393 31.417 31.823 -0.023 0.000 0.654 718 V HN 0.071 nan 8.190 nan 0.000 0.451 719 D N -0.018 120.383 120.400 0.002 0.000 2.097 719 D HA -0.159 4.478 4.640 -0.005 0.000 0.195 719 D C 2.416 178.728 176.300 0.020 0.000 0.989 719 D CA 1.284 55.287 54.000 0.005 0.000 0.827 719 D CB -0.217 40.583 40.800 0.000 0.000 0.966 719 D HN 0.373 nan 8.370 nan 0.000 0.456 720 R N 0.247 120.763 120.500 0.027 0.000 2.091 720 R HA -0.040 4.297 4.340 -0.005 0.000 0.238 720 R C 2.539 178.874 176.300 0.058 0.000 1.136 720 R CA 0.496 56.620 56.100 0.039 0.000 0.959 720 R CB -0.333 29.992 30.300 0.042 0.000 0.856 720 R HN 0.193 nan 8.270 nan 0.000 0.437 721 L N 0.628 121.893 121.223 0.071 0.000 2.093 721 L HA -0.204 4.133 4.340 -0.005 0.000 0.208 721 L C 1.479 178.411 176.870 0.104 0.000 1.085 721 L CA 1.339 56.247 54.840 0.112 0.000 0.755 721 L CB -0.251 41.885 42.059 0.128 0.000 0.904 721 L HN 0.244 nan 8.230 nan 0.000 0.435 722 D N -0.779 119.658 120.400 0.060 0.000 2.144 722 D HA -0.174 4.463 4.640 -0.005 0.000 0.200 722 D C 2.256 178.587 176.300 0.051 0.000 0.978 722 D CA 0.813 54.843 54.000 0.050 0.000 0.833 722 D CB 0.012 40.822 40.800 0.016 0.000 0.961 722 D HN 0.343 nan 8.370 nan 0.000 0.470 723 Q N 0.532 120.358 119.800 0.044 0.000 2.061 723 Q HA -0.155 4.182 4.340 -0.005 0.000 0.204 723 Q C 2.216 178.243 176.000 0.044 0.000 0.984 723 Q CA 1.214 57.040 55.803 0.038 0.000 0.846 723 Q CB -0.409 28.348 28.738 0.032 0.000 0.902 723 Q HN 0.535 nan 8.270 nan 0.000 0.421 724 R N -0.368 120.166 120.500 0.057 0.000 2.246 724 R HA 0.286 4.623 4.340 -0.005 0.000 0.199 724 R C 0.245 176.585 176.300 0.067 0.000 0.984 724 R CA 0.768 56.901 56.100 0.056 0.000 1.015 724 R CB 0.207 30.542 30.300 0.058 0.000 0.930 724 R HN 0.099 nan 8.270 nan 0.000 0.475 725 G N 1.146 110.000 108.800 0.090 0.000 3.355 725 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.686 725 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.686 725 G C -1.416 173.583 174.900 0.163 0.000 1.097 725 G CA -0.465 44.698 45.100 0.106 0.000 0.881 725 G HN 0.316 nan 8.290 nan 0.000 0.550 726 Y N 3.021 123.352 120.300 0.053 0.000 2.393 726 Y HA 0.580 5.127 4.550 -0.005 0.000 0.338 726 Y C 0.295 176.248 175.900 0.088 0.000 1.029 726 Y CA -1.097 57.053 58.100 0.083 0.000 1.239 726 Y CB 1.190 39.678 38.460 0.047 0.000 1.170 726 Y HN 0.672 nan 8.280 nan 0.000 0.515 727 N N 4.795 123.287 118.700 -0.346 0.000 2.626 727 N HA 0.366 5.103 4.740 -0.005 0.000 0.249 727 N C 0.240 175.515 175.510 -0.392 0.000 1.021 727 N CA 0.210 53.064 53.050 -0.327 0.000 0.886 727 N CB 1.136 39.557 38.487 -0.111 0.000 1.149 727 N HN 0.733 nan 8.380 nan 0.000 0.517 728 A N 2.679 125.148 122.820 -0.584 0.000 1.978 728 A HA -0.215 4.102 4.320 -0.005 0.000 0.220 728 A C 1.889 179.605 177.584 0.220 0.000 1.170 728 A CA 1.618 53.557 52.037 -0.164 0.000 0.636 728 A CB -0.538 18.292 19.000 -0.283 0.000 0.810 728 A HN 0.723 nan 8.150 nan 0.000 0.448 729 Q N 0.199 120.019 119.800 0.034 0.000 2.152 729 Q HA -0.244 4.093 4.340 -0.005 0.000 0.206 729 Q C 1.891 177.961 176.000 0.117 0.000 0.985 729 Q CA 2.338 58.175 55.803 0.056 0.000 0.863 729 Q CB -0.380 28.343 28.738 -0.024 0.000 0.904 729 Q HN 0.781 nan 8.270 nan 0.000 0.422 730 E N -1.464 118.755 120.200 0.031 0.000 2.085 730 E HA -0.241 4.106 4.350 -0.005 0.000 0.194 730 E C 1.498 178.028 176.600 -0.116 0.000 0.994 730 E CA 1.468 57.815 56.400 -0.088 0.000 0.801 730 E CB -0.192 29.365 29.700 -0.237 0.000 0.743 730 E HN 0.592 nan 8.360 nan 0.000 0.453 731 Y N -1.225 119.138 120.300 0.104 0.000 2.220 731 Y HA -0.174 4.373 4.550 -0.005 0.000 0.291 731 Y C 2.164 178.056 175.900 -0.013 0.000 1.129 731 Y CA 1.387 59.533 58.100 0.075 0.000 1.161 731 Y CB -0.647 37.905 38.460 0.152 0.000 0.997 731 Y HN 0.221 nan 8.280 nan 0.000 0.522 732 Y N 1.331 121.652 120.300 0.035 0.000 2.224 732 Y HA -0.248 4.299 4.550 -0.005 0.000 0.289 732 Y C 1.721 177.584 175.900 -0.062 0.000 1.146 732 Y CA 1.791 59.837 58.100 -0.090 0.000 1.182 732 Y CB -0.383 38.077 38.460 -0.001 0.000 0.983 732 Y HN 0.082 nan 8.280 nan 0.000 0.524 733 D N -0.330 120.193 120.400 0.206 0.000 2.224 733 D HA -0.060 4.577 4.640 -0.005 0.000 0.205 733 D C 1.861 178.152 176.300 -0.016 0.000 0.965 733 D CA 1.071 55.130 54.000 0.098 0.000 0.852 733 D CB -0.098 40.764 40.800 0.104 0.000 0.947 733 D HN 0.463 nan 8.370 nan 0.000 0.494 734 R N -0.298 120.184 120.500 -0.030 0.000 2.290 734 R HA 0.300 4.637 4.340 -0.005 0.000 0.197 734 R C 0.373 176.651 176.300 -0.037 0.000 0.913 734 R CA 0.134 56.211 56.100 -0.038 0.000 1.040 734 R CB 1.079 31.350 30.300 -0.049 0.000 0.992 734 R HN 0.092 nan 8.270 nan 0.000 0.500 735 I N 1.553 122.083 120.570 -0.067 0.000 2.437 735 I HA 0.224 4.391 4.170 -0.005 0.000 0.279 735 I C -2.010 174.016 176.117 -0.151 0.000 1.028 735 I CA -2.399 58.864 61.300 -0.062 0.000 1.142 735 I CB 2.093 40.085 38.000 -0.014 0.000 1.266 735 I HN -0.279 nan 8.210 nan 0.000 0.461 736 P HA -0.191 nan 4.420 nan 0.000 0.215 736 P C 1.175 178.382 177.300 -0.156 0.000 1.157 736 P CA 1.502 64.517 63.100 -0.142 0.000 0.874 736 P CB 0.294 31.943 31.700 -0.085 0.000 0.790 737 E N -1.138 119.007 120.200 -0.091 0.000 2.153 737 E HA -0.170 4.176 4.350 -0.005 0.000 0.194 737 E C 1.870 178.368 176.600 -0.170 0.000 0.988 737 E CA 0.692 57.051 56.400 -0.069 0.000 0.811 737 E CB -0.588 29.143 29.700 0.052 0.000 0.746 737 E HN 0.122 nan 8.360 nan 0.000 0.466 738 L N 1.198 122.234 121.223 -0.313 0.000 2.072 738 L HA -0.112 4.225 4.340 -0.005 0.000 0.205 738 L C 2.343 178.926 176.870 -0.479 0.000 1.079 738 L CA 1.592 56.080 54.840 -0.587 0.000 0.752 738 L CB -0.284 41.278 42.059 -0.828 0.000 0.906 738 L HN -0.093 nan 8.230 nan 0.000 0.436 739 R N -0.766 119.426 120.500 -0.513 0.000 2.081 739 R HA -0.244 4.093 4.340 -0.005 0.000 0.235 739 R C 2.375 178.473 176.300 -0.337 0.000 1.131 739 R CA 1.967 57.661 56.100 -0.676 0.000 0.960 739 R CB -0.335 29.515 30.300 -0.751 0.000 0.856 739 R HN 0.637 nan 8.270 nan 0.000 0.436 740 Q N 0.510 120.165 119.800 -0.241 0.000 2.061 740 Q HA -0.185 4.152 4.340 -0.005 0.000 0.204 740 Q C 2.063 177.994 176.000 -0.116 0.000 0.984 740 Q CA 2.006 57.716 55.803 -0.154 0.000 0.846 740 Q CB -0.145 28.511 28.738 -0.136 0.000 0.902 740 Q HN 0.478 nan 8.270 nan 0.000 0.421 741 I N 0.681 121.180 120.570 -0.118 0.000 2.179 741 I HA -0.287 3.880 4.170 -0.005 0.000 0.242 741 I C 2.151 178.277 176.117 0.015 0.000 1.088 741 I CA 0.745 62.015 61.300 -0.049 0.000 1.357 741 I CB -0.328 37.624 38.000 -0.079 0.000 1.051 741 I HN 0.333 nan 8.210 nan 0.000 0.409 742 I N 0.795 121.370 120.570 0.008 0.000 2.286 742 I HA -0.233 3.934 4.170 -0.005 0.000 0.248 742 I C 2.426 178.634 176.117 0.151 0.000 1.115 742 I CA 1.643 63.023 61.300 0.132 0.000 1.392 742 I CB -1.237 36.926 38.000 0.272 0.000 1.065 742 I HN 0.363 nan 8.210 nan 0.000 0.418 743 E N 0.348 120.608 120.200 0.100 0.000 2.106 743 E HA -0.210 4.137 4.350 -0.005 0.000 0.192 743 E C 2.141 178.793 176.600 0.086 0.000 0.984 743 E CA 0.792 57.251 56.400 0.097 0.000 0.806 743 E CB -0.095 29.633 29.700 0.047 0.000 0.750 743 E HN 0.594 nan 8.360 nan 0.000 0.458 744 Q N 0.543 120.369 119.800 0.043 0.000 2.079 744 Q HA -0.119 4.218 4.340 -0.005 0.000 0.200 744 Q C 2.378 178.509 176.000 0.219 0.000 0.974 744 Q CA 0.975 56.797 55.803 0.030 0.000 0.840 744 Q CB -0.066 28.560 28.738 -0.186 0.000 0.898 744 Q HN 0.297 nan 8.270 nan 0.000 0.430 745 L N 0.070 121.452 121.223 0.266 0.000 2.046 745 L HA -0.188 4.149 4.340 -0.005 0.000 0.208 745 L C 2.426 179.477 176.870 0.301 0.000 1.077 745 L CA 1.007 56.045 54.840 0.329 0.000 0.747 745 L CB -0.330 41.853 42.059 0.207 0.000 0.896 745 L HN 0.143 nan 8.230 nan 0.000 0.432 746 S N -0.454 115.377 115.700 0.220 0.000 2.402 746 S HA -0.125 4.342 4.470 -0.005 0.000 0.229 746 S C 2.025 176.723 174.600 0.163 0.000 1.021 746 S CA 1.382 59.692 58.200 0.185 0.000 0.974 746 S CB -0.154 63.138 63.200 0.152 0.000 0.800 746 S HN 0.593 nan 8.310 nan 0.000 0.484 747 S N 0.438 116.233 115.700 0.158 0.000 2.562 747 S HA 0.342 4.809 4.470 -0.005 0.000 0.221 747 S C 1.399 176.080 174.600 0.136 0.000 0.975 747 S CA 0.573 58.852 58.200 0.131 0.000 0.918 747 S CB -0.072 63.199 63.200 0.118 0.000 0.772 747 S HN 0.760 nan 8.310 nan 0.000 0.531 748 G N 0.792 109.703 108.800 0.185 0.000 2.132 748 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.228 748 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.228 748 G C 0.154 175.134 174.900 0.133 0.000 1.000 748 G CA 0.129 45.329 45.100 0.167 0.000 0.693 748 G HN 0.536 nan 8.290 nan 0.000 0.515 749 F N 0.182 120.108 119.950 -0.040 0.000 2.216 749 F HA 0.223 4.747 4.527 -0.005 0.000 0.300 749 F C 1.793 177.363 175.800 -0.385 0.000 1.085 749 F CA 1.721 59.567 58.000 -0.257 0.000 1.326 749 F CB -0.039 38.711 39.000 -0.417 0.000 1.027 749 F HN 0.170 nan 8.300 nan 0.000 0.497 750 F N -0.353 119.773 119.950 0.294 0.000 2.664 750 F HA 0.218 4.742 4.527 -0.005 0.000 0.303 750 F C 0.728 176.648 175.800 0.200 0.000 1.092 750 F CA 0.224 58.348 58.000 0.207 0.000 1.305 750 F CB -0.176 38.945 39.000 0.203 0.000 1.054 750 F HN -0.004 nan 8.300 nan 0.000 0.565 751 S N -2.153 113.696 115.700 0.247 0.000 2.605 751 S HA 0.313 4.780 4.470 -0.005 0.000 0.142 751 S C -2.406 172.212 174.600 0.030 0.000 1.452 751 S CA -0.998 57.275 58.200 0.120 0.000 1.240 751 S CB 0.744 63.975 63.200 0.052 0.000 1.538 751 S HN -0.175 nan 8.310 nan 0.000 0.394 752 P HA -0.189 nan 4.420 nan 0.000 0.217 752 P C 1.241 178.525 177.300 -0.025 0.000 1.162 752 P CA 1.640 64.712 63.100 -0.047 0.000 0.901 752 P CB 0.066 31.714 31.700 -0.086 0.000 0.793 753 K N -1.155 119.231 120.400 -0.023 0.000 2.283 753 K HA -0.072 4.245 4.320 -0.005 0.000 0.202 753 K C 0.679 177.273 176.600 -0.010 0.000 1.048 753 K CA 0.915 57.193 56.287 -0.015 0.000 0.948 753 K CB -0.106 32.387 32.500 -0.012 0.000 0.742 753 K HN 0.377 nan 8.250 nan 0.000 0.458 754 Q N -0.300 119.493 119.800 -0.013 0.000 3.064 754 Q HA 0.152 4.488 4.340 -0.005 0.000 0.258 754 Q C -2.376 173.613 176.000 -0.018 0.000 0.972 754 Q CA -1.631 54.160 55.803 -0.020 0.000 0.761 754 Q CB 1.572 30.289 28.738 -0.036 0.000 1.281 754 Q HN -0.090 nan 8.270 nan 0.000 0.455 755 P HA -0.249 nan 4.420 nan 0.000 0.216 755 P C 0.643 177.974 177.300 0.052 0.000 1.154 755 P CA 1.590 64.712 63.100 0.037 0.000 0.865 755 P CB 0.194 31.914 31.700 0.033 0.000 0.789 756 D N -1.517 118.900 120.400 0.028 0.000 2.388 756 D HA 0.003 4.640 4.640 -0.005 0.000 0.221 756 D C 1.590 177.890 176.300 0.000 0.000 1.133 756 D CA -0.247 53.778 54.000 0.042 0.000 0.831 756 D CB -0.585 40.240 40.800 0.042 0.000 0.962 756 D HN 0.033 nan 8.370 nan 0.000 0.502 757 L N 0.075 121.236 121.223 -0.104 0.000 2.043 757 L HA -0.090 4.247 4.340 -0.005 0.000 0.212 757 L C 1.096 177.758 176.870 -0.346 0.000 1.075 757 L CA 1.726 56.390 54.840 -0.294 0.000 0.752 757 L CB -0.675 41.030 42.059 -0.591 0.000 0.891 757 L HN -0.009 nan 8.230 nan 0.000 0.432 758 F N -0.417 119.594 119.950 0.101 0.000 2.730 758 F HA 0.146 4.670 4.527 -0.005 0.000 0.295 758 F C 1.843 177.700 175.800 0.095 0.000 1.143 758 F CA -0.145 57.905 58.000 0.084 0.000 1.367 758 F CB -0.352 38.689 39.000 0.068 0.000 0.970 758 F HN 0.119 nan 8.300 nan 0.000 0.514 759 K N -0.307 120.215 120.400 0.203 0.000 2.147 759 K HA -0.170 4.147 4.320 -0.005 0.000 0.205 759 K C 0.932 177.639 176.600 0.179 0.000 1.049 759 K CA 1.858 58.248 56.287 0.173 0.000 0.936 759 K CB -0.221 32.355 32.500 0.126 0.000 0.722 759 K HN 0.107 nan 8.250 nan 0.000 0.446 760 D N 1.403 121.919 120.400 0.192 0.000 2.144 760 D HA -0.092 4.545 4.640 -0.005 0.000 0.199 760 D C 2.075 178.485 176.300 0.184 0.000 0.984 760 D CA 1.144 55.264 54.000 0.200 0.000 0.834 760 D CB -0.095 40.859 40.800 0.256 0.000 0.955 760 D HN 0.326 nan 8.370 nan 0.000 0.465 761 I N 0.560 121.240 120.570 0.183 0.000 2.202 761 I HA -0.204 3.963 4.170 -0.005 0.000 0.242 761 I C 2.442 178.625 176.117 0.110 0.000 1.091 761 I CA 0.584 61.963 61.300 0.132 0.000 1.368 761 I CB -0.178 37.892 38.000 0.117 0.000 1.058 761 I HN -0.124 nan 8.210 nan 0.000 0.410 762 V N 1.284 121.279 119.914 0.136 0.000 2.343 762 V HA -0.283 3.834 4.120 -0.005 0.000 0.247 762 V C 2.248 178.373 176.094 0.052 0.000 1.051 762 V CA 2.307 64.672 62.300 0.107 0.000 1.036 762 V CB -0.988 30.917 31.823 0.136 0.000 0.654 762 V HN 0.490 nan 8.190 nan 0.000 0.451 763 N N 0.062 118.831 118.700 0.115 0.000 2.120 763 N HA -0.209 4.528 4.740 -0.005 0.000 0.188 763 N C 1.853 177.449 175.510 0.144 0.000 1.024 763 N CA 1.833 54.983 53.050 0.166 0.000 0.852 763 N CB -0.301 38.348 38.487 0.271 0.000 1.003 763 N HN 0.330 nan 8.380 nan 0.000 0.424 764 M N 0.239 119.955 119.600 0.193 0.000 2.086 764 M HA -0.089 4.388 4.480 -0.005 0.000 0.261 764 M C 1.767 178.075 176.300 0.012 0.000 1.067 764 M CA 1.340 56.780 55.300 0.234 0.000 1.116 764 M CB -0.684 32.028 32.600 0.185 0.000 1.348 764 M HN 0.285 nan 8.290 nan 0.000 0.407 765 L N -0.159 121.007 121.223 -0.094 0.000 2.083 765 L HA -0.253 4.084 4.340 -0.005 0.000 0.209 765 L C 2.536 179.106 176.870 -0.500 0.000 1.083 765 L CA 0.986 55.627 54.840 -0.333 0.000 0.752 765 L CB -0.577 41.290 42.059 -0.320 0.000 0.899 765 L HN 0.327 nan 8.230 nan 0.000 0.433 766 M N -1.568 117.783 119.600 -0.415 0.000 2.334 766 M HA -0.057 4.420 4.480 -0.005 0.000 0.266 766 M C 1.765 177.587 176.300 -0.798 0.000 1.082 766 M CA 1.569 56.506 55.300 -0.605 0.000 1.141 766 M CB -0.680 31.462 32.600 -0.764 0.000 1.380 766 M HN 0.317 nan 8.290 nan 0.000 0.440 767 H N -2.092 116.765 119.070 -0.355 0.000 3.400 767 H HA 0.225 4.778 4.556 -0.005 0.000 0.251 767 H C -0.003 174.927 175.328 -0.664 0.000 1.040 767 H CA 0.458 56.157 56.048 -0.582 0.000 1.175 767 H CB 0.350 29.634 29.762 -0.797 0.000 1.487 767 H HN 0.490 nan 8.280 nan 0.000 0.505 768 H N -0.220 118.897 119.070 0.079 0.000 2.712 768 H HA 0.242 4.794 4.556 -0.005 0.000 0.226 768 H C -1.037 174.306 175.328 0.024 0.000 1.422 768 H CA -0.602 55.482 56.048 0.059 0.000 1.270 768 H CB 0.421 30.221 29.762 0.064 0.000 1.891 768 H HN -0.050 nan 8.280 nan 0.000 0.518 769 D N 1.168 121.621 120.400 0.089 0.000 2.428 769 D HA 0.159 4.796 4.640 -0.005 0.000 0.221 769 D C 0.894 177.138 176.300 -0.093 0.000 1.123 769 D CA -0.452 53.566 54.000 0.029 0.000 0.869 769 D CB 0.699 41.500 40.800 0.002 0.000 1.032 769 D HN 0.364 nan 8.370 nan 0.000 0.506 770 R N 2.295 122.626 120.500 -0.282 0.000 2.235 770 R HA -0.022 4.315 4.340 -0.005 0.000 0.213 770 R C 0.626 176.399 176.300 -0.879 0.000 1.059 770 R CA 0.839 56.566 56.100 -0.622 0.000 0.997 770 R CB 0.107 29.852 30.300 -0.926 0.000 0.884 770 R HN 0.398 nan 8.270 nan 0.000 0.462 771 F N 0.699 120.615 119.950 -0.057 0.000 2.639 771 F HA 0.250 4.774 4.527 -0.005 0.000 0.302 771 F C 0.076 175.760 175.800 -0.194 0.000 1.097 771 F CA -0.676 57.273 58.000 -0.085 0.000 1.294 771 F CB 0.018 39.024 39.000 0.010 0.000 1.027 771 F HN -0.243 nan 8.300 nan 0.000 0.550 772 K N -0.339 119.865 120.400 -0.327 0.000 3.311 772 K HA -0.187 4.130 4.320 -0.005 0.000 0.270 772 K C 1.000 177.484 176.600 -0.193 0.000 0.927 772 K CA 0.193 56.123 56.287 -0.594 0.000 0.706 772 K CB -1.795 30.249 32.500 -0.760 0.000 1.418 772 K HN 0.220 nan 8.250 nan 0.000 0.459 773 V N -0.038 119.841 119.914 -0.058 0.000 2.332 773 V HA -0.282 3.835 4.120 -0.005 0.000 0.248 773 V C 1.968 178.200 176.094 0.231 0.000 1.055 773 V CA 2.209 64.551 62.300 0.070 0.000 1.038 773 V CB -0.525 31.339 31.823 0.069 0.000 0.651 773 V HN 0.512 nan 8.190 nan 0.000 0.450 774 F N 0.287 120.235 119.950 -0.003 0.000 2.171 774 F HA -0.169 4.354 4.527 -0.005 0.000 0.300 774 F C 2.564 178.154 175.800 -0.349 0.000 1.090 774 F CA 0.625 58.563 58.000 -0.104 0.000 1.293 774 F CB -0.393 38.544 39.000 -0.106 0.000 1.013 774 F HN 0.198 nan 8.300 nan 0.000 0.486 775 A N -0.357 122.292 122.820 -0.285 0.000 1.978 775 A HA -0.214 4.103 4.320 -0.005 0.000 0.220 775 A C 1.478 179.072 177.584 0.016 0.000 1.170 775 A CA 2.007 53.825 52.037 -0.364 0.000 0.636 775 A CB -0.490 18.415 19.000 -0.157 0.000 0.810 775 A HN 0.247 nan 8.150 nan 0.000 0.448 776 D N -2.905 117.557 120.400 0.104 0.000 2.369 776 D HA 0.094 4.731 4.640 -0.005 0.000 0.211 776 D C 1.141 177.605 176.300 0.273 0.000 1.077 776 D CA -0.064 54.068 54.000 0.220 0.000 0.842 776 D CB -0.112 40.835 40.800 0.245 0.000 0.947 776 D HN 0.592 nan 8.370 nan 0.000 0.509 777 Y N 2.133 122.516 120.300 0.139 0.000 2.097 777 Y HA -0.238 4.309 4.550 -0.005 0.000 0.282 777 Y C 2.101 178.086 175.900 0.141 0.000 1.152 777 Y CA 1.918 60.108 58.100 0.150 0.000 1.136 777 Y CB 0.184 38.702 38.460 0.097 0.000 0.975 777 Y HN -0.099 nan 8.280 nan 0.000 0.498 778 E N -0.040 120.231 120.200 0.118 0.000 2.038 778 E HA -0.252 4.095 4.350 -0.005 0.000 0.195 778 E C 2.159 178.730 176.600 -0.048 0.000 1.000 778 E CA 1.666 58.062 56.400 -0.006 0.000 0.803 778 E CB -0.179 29.616 29.700 0.159 0.000 0.750 778 E HN 0.640 nan 8.360 nan 0.000 0.448 779 E N -0.278 119.970 120.200 0.080 0.000 2.153 779 E HA -0.204 4.143 4.350 -0.005 0.000 0.194 779 E C 1.902 178.493 176.600 -0.014 0.000 0.988 779 E CA 0.750 57.217 56.400 0.110 0.000 0.811 779 E CB -0.129 29.730 29.700 0.266 0.000 0.746 779 E HN 0.279 nan 8.360 nan 0.000 0.466 780 Y N 1.262 121.370 120.300 -0.319 0.000 2.145 780 Y HA -0.223 4.324 4.550 -0.005 0.000 0.286 780 Y C 2.135 177.635 175.900 -0.667 0.000 1.145 780 Y CA 1.018 58.608 58.100 -0.850 0.000 1.148 780 Y CB -0.471 37.542 38.460 -0.746 0.000 0.981 780 Y HN -0.206 nan 8.280 nan 0.000 0.507 781 V N 0.824 120.379 119.914 -0.599 0.000 2.343 781 V HA -0.316 3.801 4.120 -0.005 0.000 0.247 781 V C 2.294 178.150 176.094 -0.398 0.000 1.051 781 V CA 2.327 64.284 62.300 -0.573 0.000 1.036 781 V CB -0.600 30.920 31.823 -0.504 0.000 0.654 781 V HN 0.333 nan 8.190 nan 0.000 0.451 782 K N -0.879 119.357 120.400 -0.273 0.000 2.057 782 K HA -0.206 4.111 4.320 -0.005 0.000 0.207 782 K C 2.306 178.807 176.600 -0.166 0.000 1.049 782 K CA 1.691 57.883 56.287 -0.158 0.000 0.931 782 K CB -0.605 31.853 32.500 -0.070 0.000 0.714 782 K HN 0.524 nan 8.250 nan 0.000 0.440 783 C N 1.569 120.742 119.300 -0.212 0.000 2.429 783 C HA -0.096 4.361 4.460 -0.005 0.000 0.277 783 C C 2.673 177.470 174.990 -0.321 0.000 1.262 783 C CA 0.840 59.760 59.018 -0.164 0.000 1.733 783 C CB -0.645 27.018 27.740 -0.128 0.000 2.010 783 C HN 0.430 nan 8.230 nan 0.000 0.483 784 Q N 0.449 119.914 119.800 -0.558 0.000 2.170 784 Q HA -0.171 4.166 4.340 -0.005 0.000 0.203 784 Q C 2.005 177.797 176.000 -0.347 0.000 0.976 784 Q CA 1.622 57.057 55.803 -0.613 0.000 0.858 784 Q CB -0.398 27.721 28.738 -1.031 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.139 120.194 120.200 -0.242 0.000 2.106 785 E HA -0.122 4.224 4.350 -0.005 0.000 0.192 785 E C 2.042 178.590 176.600 -0.087 0.000 0.984 785 E CA 0.476 56.798 56.400 -0.130 0.000 0.806 785 E CB -0.036 29.609 29.700 -0.091 0.000 0.750 785 E HN 0.272 nan 8.360 nan 0.000 0.458 786 R N 0.527 120.981 120.500 -0.077 0.000 2.148 786 R HA -0.062 4.275 4.340 -0.005 0.000 0.227 786 R C 2.382 178.674 176.300 -0.013 0.000 1.103 786 R CA 0.690 56.809 56.100 0.031 0.000 0.983 786 R CB -0.185 30.202 30.300 0.145 0.000 0.874 786 R HN 0.052 nan 8.270 nan 0.000 0.451 787 V N 0.423 120.140 119.914 -0.330 0.000 2.307 787 V HA -0.222 3.895 4.120 -0.005 0.000 0.245 787 V C 2.147 178.218 176.094 -0.038 0.000 1.045 787 V CA 1.886 63.883 62.300 -0.505 0.000 1.024 787 V CB -0.311 31.098 31.823 -0.691 0.000 0.651 787 V HN 0.270 nan 8.190 nan 0.000 0.449 788 S N 0.115 115.765 115.700 -0.083 0.000 2.382 788 S HA -0.177 4.290 4.470 -0.005 0.000 0.228 788 S C 2.190 176.844 174.600 0.090 0.000 1.027 788 S CA 1.388 59.577 58.200 -0.018 0.000 0.991 788 S CB -0.461 62.698 63.200 -0.068 0.000 0.823 788 S HN 0.650 nan 8.310 nan 0.000 0.469 789 A N 1.108 123.982 122.820 0.091 0.000 1.902 789 A HA -0.040 4.277 4.320 -0.005 0.000 0.217 789 A C 2.092 179.789 177.584 0.189 0.000 1.181 789 A CA 1.313 53.426 52.037 0.126 0.000 0.623 789 A CB -0.612 18.452 19.000 0.106 0.000 0.818 789 A HN 0.432 nan 8.150 nan 0.000 0.443 790 L N -2.108 119.286 121.223 0.285 0.000 2.156 790 L HA -0.031 4.306 4.340 -0.005 0.000 0.208 790 L C 2.178 179.332 176.870 0.473 0.000 1.095 790 L CA 1.703 56.785 54.840 0.404 0.000 0.770 790 L CB -0.762 41.634 42.059 0.562 0.000 0.914 790 L HN 0.485 nan 8.230 nan 0.000 0.439 791 Y N 0.391 120.834 120.300 0.239 0.000 2.403 791 Y HA -0.192 4.356 4.550 -0.004 0.000 0.291 791 Y C 2.184 178.031 175.900 -0.089 0.000 1.143 791 Y CA 1.496 59.493 58.100 -0.172 0.000 1.257 791 Y CB -0.131 38.024 38.460 -0.509 0.000 0.984 791 Y HN 0.198 nan 8.280 nan 0.000 0.550 792 K N -0.248 120.195 120.400 0.072 0.000 2.439 792 K HA -0.100 4.217 4.320 -0.005 0.000 0.197 792 K C 0.391 176.980 176.600 -0.018 0.000 1.041 792 K CA 0.591 56.901 56.287 0.038 0.000 0.970 792 K CB -0.053 32.514 32.500 0.112 0.000 0.773 792 K HN 0.061 nan 8.250 nan 0.000 0.479 793 N N 0.745 119.449 118.700 0.005 0.000 2.898 793 N HA 0.133 4.870 4.740 -0.005 0.000 0.245 793 N C -2.434 173.079 175.510 0.005 0.000 1.185 793 N CA -2.123 50.935 53.050 0.015 0.000 0.879 793 N CB 1.168 39.695 38.487 0.067 0.000 1.157 793 N HN -0.202 nan 8.380 nan 0.000 0.503 794 P HA -0.244 nan 4.420 nan 0.000 0.219 794 P C 1.415 178.724 177.300 0.015 0.000 1.161 794 P CA 1.446 64.475 63.100 -0.119 0.000 0.909 794 P CB 0.314 31.923 31.700 -0.152 0.000 0.793 795 R N -0.174 120.335 120.500 0.014 0.000 2.083 795 R HA -0.178 4.159 4.340 -0.005 0.000 0.237 795 R C 2.004 178.344 176.300 0.066 0.000 1.137 795 R CA 1.563 57.684 56.100 0.034 0.000 0.951 795 R CB -0.445 29.867 30.300 0.020 0.000 0.851 795 R HN 0.111 nan 8.270 nan 0.000 0.434 796 E N -0.069 120.180 120.200 0.082 0.000 2.152 796 E HA -0.212 4.135 4.350 -0.005 0.000 0.192 796 E C 1.605 178.279 176.600 0.123 0.000 0.983 796 E CA 0.666 57.118 56.400 0.087 0.000 0.818 796 E CB -0.438 29.312 29.700 0.085 0.000 0.758 796 E HN 0.530 nan 8.360 nan 0.000 0.467 797 W N 2.183 123.480 121.300 -0.004 0.000 2.355 797 W HA -0.171 4.485 4.660 -0.006 0.000 0.309 797 W C 1.590 178.116 176.519 0.011 0.000 1.206 797 W CA 2.020 59.378 57.345 0.022 0.000 1.284 797 W CB -0.436 29.010 29.460 -0.024 0.000 1.145 797 W HN 0.017 nan 8.180 nan 0.000 0.502 798 T N 1.326 116.021 114.554 0.235 0.000 2.788 798 T HA -0.173 4.174 4.350 -0.005 0.000 0.268 798 T C 1.846 176.557 174.700 0.017 0.000 1.044 798 T CA 1.736 63.904 62.100 0.113 0.000 1.139 798 T CB -0.275 68.638 68.868 0.075 0.000 0.867 798 T HN 0.187 nan 8.240 nan 0.000 0.454 799 R N 0.436 120.950 120.500 0.023 0.000 2.092 799 R HA 0.100 4.437 4.340 -0.005 0.000 0.231 799 R C 2.484 178.771 176.300 -0.020 0.000 1.119 799 R CA 1.151 57.263 56.100 0.019 0.000 0.970 799 R CB -0.334 29.983 30.300 0.029 0.000 0.864 799 R HN 0.371 nan 8.270 nan 0.000 0.440 800 M N 0.509 120.059 119.600 -0.083 0.000 2.200 800 M HA -0.121 4.356 4.480 -0.005 0.000 0.265 800 M C 1.911 178.118 176.300 -0.154 0.000 1.066 800 M CA 1.309 56.522 55.300 -0.145 0.000 1.127 800 M CB 0.209 32.659 32.600 -0.251 0.000 1.379 800 M HN -0.031 nan 8.290 nan 0.000 0.420 801 V N 0.945 120.749 119.914 -0.183 0.000 2.295 801 V HA -0.314 3.803 4.120 -0.005 0.000 0.246 801 V C 2.237 178.316 176.094 -0.025 0.000 1.049 801 V CA 2.032 64.259 62.300 -0.121 0.000 1.024 801 V CB -0.623 31.158 31.823 -0.069 0.000 0.648 801 V HN 0.513 nan 8.190 nan 0.000 0.447 802 I N -0.557 120.017 120.570 0.008 0.000 2.208 802 I HA -0.283 3.884 4.170 -0.005 0.000 0.245 802 I C 2.714 178.883 176.117 0.086 0.000 1.097 802 I CA 1.623 62.975 61.300 0.086 0.000 1.363 802 I CB -0.445 37.649 38.000 0.157 0.000 1.051 802 I HN 0.227 nan 8.210 nan 0.000 0.413 803 R N 0.414 120.940 120.500 0.045 0.000 2.148 803 R HA -0.105 4.232 4.340 -0.005 0.000 0.227 803 R C 2.010 178.342 176.300 0.053 0.000 1.103 803 R CA 1.057 57.182 56.100 0.041 0.000 0.983 803 R CB -0.337 29.970 30.300 0.012 0.000 0.874 803 R HN 0.537 nan 8.270 nan 0.000 0.451 804 N N 0.570 119.296 118.700 0.044 0.000 2.148 804 N HA -0.058 4.679 4.740 -0.005 0.000 0.186 804 N C 1.946 177.517 175.510 0.101 0.000 1.031 804 N CA 1.002 54.100 53.050 0.081 0.000 0.848 804 N CB 0.016 38.529 38.487 0.044 0.000 1.005 804 N HN 0.120 nan 8.380 nan 0.000 0.427 805 I N 1.654 122.274 120.570 0.084 0.000 2.208 805 I HA -0.235 3.932 4.170 -0.005 0.000 0.245 805 I C 2.442 178.615 176.117 0.094 0.000 1.097 805 I CA 0.865 62.220 61.300 0.093 0.000 1.363 805 I CB -0.338 37.713 38.000 0.085 0.000 1.051 805 I HN 0.084 nan 8.210 nan 0.000 0.413 806 A N 0.358 123.233 122.820 0.090 0.000 2.070 806 A HA -0.167 4.150 4.320 -0.005 0.000 0.220 806 A C 2.059 179.684 177.584 0.069 0.000 1.159 806 A CA 2.068 54.149 52.037 0.073 0.000 0.656 806 A CB -0.836 18.209 19.000 0.075 0.000 0.800 806 A HN 0.541 nan 8.150 nan 0.000 0.453 807 T N -3.093 111.516 114.554 0.092 0.000 3.174 807 T HA 0.208 4.555 4.350 -0.005 0.000 0.269 807 T C 1.055 175.856 174.700 0.168 0.000 1.017 807 T CA 0.602 62.761 62.100 0.098 0.000 0.899 807 T CB -0.194 68.728 68.868 0.089 0.000 1.077 807 T HN 0.466 nan 8.240 nan 0.000 0.552 808 S N -0.051 115.765 115.700 0.193 0.000 2.593 808 S HA 0.257 4.724 4.470 -0.005 0.000 0.217 808 S C 2.200 176.949 174.600 0.247 0.000 0.966 808 S CA 0.260 58.656 58.200 0.326 0.000 0.914 808 S CB -0.577 62.777 63.200 0.257 0.000 0.776 808 S HN 0.524 nan 8.310 nan 0.000 0.523 809 G N 2.750 111.612 108.800 0.104 0.000 2.469 809 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.220 809 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.220 809 G C 1.326 176.180 174.900 -0.076 0.000 1.136 809 G CA 1.066 46.188 45.100 0.036 0.000 0.759 809 G HN 0.617 nan 8.290 nan 0.000 0.562 810 K N -0.128 120.111 120.400 -0.269 0.000 2.211 810 K HA -0.033 4.284 4.320 -0.005 0.000 0.204 810 K C 1.280 177.516 176.600 -0.607 0.000 1.047 810 K CA 0.737 56.715 56.287 -0.516 0.000 0.935 810 K CB -0.277 31.743 32.500 -0.800 0.000 0.728 810 K HN 0.399 nan 8.250 nan 0.000 0.452 811 F N 1.024 121.002 119.950 0.047 0.000 2.693 811 F HA 0.118 4.642 4.527 -0.006 0.000 0.303 811 F C 0.835 176.679 175.800 0.075 0.000 1.143 811 F CA -0.488 57.547 58.000 0.059 0.000 1.389 811 F CB 0.285 39.317 39.000 0.053 0.000 1.060 811 F HN -0.108 nan 8.300 nan 0.000 0.535 812 S N 0.242 116.012 115.700 0.117 0.000 2.545 812 S HA 0.090 4.557 4.470 -0.005 0.000 0.275 812 S C 1.423 176.097 174.600 0.123 0.000 1.299 812 S CA -0.230 58.043 58.200 0.121 0.000 1.048 812 S CB 0.870 64.112 63.200 0.070 0.000 0.938 812 S HN 0.331 nan 8.310 nan 0.000 0.496 813 S N 3.112 118.910 115.700 0.164 0.000 2.507 813 S HA -0.060 4.407 4.470 -0.005 0.000 0.235 813 S C 0.900 175.550 174.600 0.082 0.000 0.988 813 S CA 0.595 58.912 58.200 0.195 0.000 0.944 813 S CB -0.307 63.081 63.200 0.313 0.000 0.762 813 S HN 0.783 nan 8.310 nan 0.000 0.526 814 D N 1.824 122.257 120.400 0.055 0.000 2.144 814 D HA -0.054 4.583 4.640 -0.005 0.000 0.200 814 D C 2.108 178.408 176.300 -0.001 0.000 0.978 814 D CA 0.669 54.679 54.000 0.018 0.000 0.833 814 D CB -0.286 40.523 40.800 0.014 0.000 0.961 814 D HN 0.291 nan 8.370 nan 0.000 0.470 815 R N 0.861 121.362 120.500 0.002 0.000 2.066 815 R HA -0.072 4.265 4.340 -0.005 0.000 0.232 815 R C 1.846 178.131 176.300 -0.024 0.000 1.131 815 R CA 1.302 57.388 56.100 -0.022 0.000 0.955 815 R CB -0.771 29.502 30.300 -0.045 0.000 0.851 815 R HN 0.093 nan 8.270 nan 0.000 0.432 816 T N 2.308 116.869 114.554 0.011 0.000 2.652 816 T HA -0.123 4.224 4.350 -0.005 0.000 0.267 816 T C 1.924 176.620 174.700 -0.006 0.000 1.039 816 T CA 1.411 63.536 62.100 0.042 0.000 1.153 816 T CB -0.134 68.833 68.868 0.166 0.000 0.863 816 T HN 0.103 nan 8.240 nan 0.000 0.428 817 I N 1.663 122.150 120.570 -0.138 0.000 2.286 817 I HA -0.098 4.069 4.170 -0.005 0.000 0.248 817 I C 2.889 178.955 176.117 -0.086 0.000 1.115 817 I CA 0.936 62.116 61.300 -0.199 0.000 1.392 817 I CB -1.601 36.288 38.000 -0.186 0.000 1.065 817 I HN 0.198 nan 8.210 nan 0.000 0.418 818 A N 0.122 122.911 122.820 -0.051 0.000 1.972 818 A HA -0.223 4.094 4.320 -0.005 0.000 0.219 818 A C 2.243 179.782 177.584 -0.076 0.000 1.169 818 A CA 1.330 53.346 52.037 -0.036 0.000 0.635 818 A CB -0.486 18.499 19.000 -0.025 0.000 0.810 818 A HN 0.513 nan 8.150 nan 0.000 0.446 819 Q N -1.925 117.810 119.800 -0.107 0.000 2.083 819 Q HA -0.136 4.201 4.340 -0.005 0.000 0.198 819 Q C 1.898 177.726 176.000 -0.286 0.000 0.969 819 Q CA 1.481 57.181 55.803 -0.170 0.000 0.838 819 Q CB -0.281 28.348 28.738 -0.183 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.698 120.699 120.300 -0.497 0.000 2.128 820 Y HA -0.279 4.268 4.550 -0.005 0.000 0.284 820 Y C 2.481 177.796 175.900 -0.974 0.000 1.154 820 Y CA 1.290 58.839 58.100 -0.918 0.000 1.149 820 Y CB -0.383 37.204 38.460 -1.454 0.000 0.976 820 Y HN 0.156 nan 8.280 nan 0.000 0.505 821 A N 0.312 122.891 122.820 -0.401 0.000 1.865 821 A HA -0.226 4.091 4.320 -0.005 0.000 0.217 821 A C 2.248 179.844 177.584 0.020 0.000 1.191 821 A CA 2.058 54.111 52.037 0.028 0.000 0.623 821 A CB -0.546 18.550 19.000 0.161 0.000 0.826 821 A HN 0.422 nan 8.150 nan 0.000 0.444 822 R N -0.624 119.849 120.500 -0.045 0.000 2.075 822 R HA -0.027 4.310 4.340 -0.005 0.000 0.226 822 R C 1.864 178.139 176.300 -0.042 0.000 1.114 822 R CA 1.413 57.499 56.100 -0.023 0.000 0.972 822 R CB -0.213 30.069 30.300 -0.031 0.000 0.869 822 R HN 0.670 nan 8.270 nan 0.000 0.437 823 E N -0.271 119.863 120.200 -0.109 0.000 2.400 823 E HA 0.063 4.410 4.350 -0.005 0.000 0.195 823 E C 1.513 178.060 176.600 -0.089 0.000 1.012 823 E CA 0.547 56.886 56.400 -0.102 0.000 0.875 823 E CB 0.466 30.078 29.700 -0.146 0.000 0.859 823 E HN 0.326 nan 8.360 nan 0.000 0.498 824 I N -1.082 119.398 120.570 -0.150 0.000 3.739 824 I HA 0.015 4.182 4.170 -0.005 0.000 0.272 824 I C 1.372 177.617 176.117 0.214 0.000 1.167 824 I CA -0.072 61.196 61.300 -0.054 0.000 1.386 824 I CB 0.222 38.044 38.000 -0.297 0.000 1.490 824 I HN 0.108 nan 8.210 nan 0.000 0.452 825 W N 1.577 122.969 121.300 0.152 0.000 2.658 825 W HA 0.304 4.961 4.660 -0.005 0.000 0.263 825 W C 1.481 178.037 176.519 0.061 0.000 1.274 825 W CA 0.844 58.260 57.345 0.120 0.000 1.343 825 W CB -1.125 28.393 29.460 0.096 0.000 1.106 825 W HN 0.325 nan 8.180 nan 0.000 0.615 826 G N 1.156 110.093 108.800 0.229 0.000 2.256 826 G HA2 -0.091 3.866 3.960 -0.005 0.000 0.272 826 G HA3 -0.091 3.866 3.960 -0.005 0.000 0.272 826 G C -0.333 174.639 174.900 0.120 0.000 1.076 826 G CA 0.229 45.407 45.100 0.130 0.000 0.882 826 G HN 0.454 nan 8.290 nan 0.000 0.497 827 V N -4.346 115.656 119.914 0.147 0.000 3.007 827 V HA 0.934 5.051 4.120 -0.005 0.000 0.311 827 V C -0.489 175.663 176.094 0.096 0.000 1.120 827 V CA -1.644 60.724 62.300 0.113 0.000 0.980 827 V CB 2.354 34.254 31.823 0.128 0.000 1.033 827 V HN 0.143 nan 8.190 nan 0.000 0.429 828 E N 2.595 122.835 120.200 0.067 0.000 2.175 828 E HA 0.569 4.916 4.350 -0.005 0.000 0.278 828 E C -2.594 174.041 176.600 0.059 0.000 0.969 828 E CA -1.877 54.556 56.400 0.055 0.000 0.796 828 E CB 1.638 31.363 29.700 0.041 0.000 1.104 828 E HN 0.687 nan 8.360 nan 0.000 0.395 829 P HA 0.101 nan 4.420 nan 0.000 0.272 829 P C -0.679 176.650 177.300 0.049 0.000 1.223 829 P CA -0.161 62.972 63.100 0.055 0.000 0.784 829 P CB 0.694 32.420 31.700 0.044 0.000 0.923 830 S N 1.304 117.036 115.700 0.053 0.000 2.594 830 S HA 0.328 4.795 4.470 -0.005 0.000 0.296 830 S C 0.465 175.092 174.600 0.046 0.000 1.124 830 S CA -0.669 57.562 58.200 0.052 0.000 1.011 830 S CB 0.615 63.856 63.200 0.068 0.000 1.016 830 S HN 0.218 nan 8.310 nan 0.000 0.485 831 R N 2.423 122.945 120.500 0.037 0.000 2.334 831 R HA 0.189 4.526 4.340 -0.005 0.000 0.216 831 R C 0.030 176.345 176.300 0.025 0.000 0.905 831 R CA 0.131 56.251 56.100 0.033 0.000 1.064 831 R CB 0.118 30.436 30.300 0.030 0.000 1.046 831 R HN 0.705 nan 8.270 nan 0.000 0.508 832 Q N 1.277 121.092 119.800 0.025 0.000 2.311 832 Q HA 0.066 4.403 4.340 -0.005 0.000 0.272 832 Q C 0.105 176.104 176.000 -0.001 0.000 1.012 832 Q CA 0.504 56.315 55.803 0.013 0.000 0.891 832 Q CB 0.889 29.639 28.738 0.021 0.000 1.201 832 Q HN 0.000 nan 8.270 nan 0.000 0.391 833 R N 1.508 121.998 120.500 -0.017 0.000 2.668 833 R HA 0.476 4.813 4.340 -0.005 0.000 0.268 833 R C -0.021 176.241 176.300 -0.062 0.000 1.232 833 R CA -0.379 55.698 56.100 -0.039 0.000 1.166 833 R CB 0.463 30.736 30.300 -0.044 0.000 1.179 833 R HN 0.465 nan 8.270 nan 0.000 0.606 834 L N 0.100 121.271 121.223 -0.086 0.000 2.283 834 L HA 0.495 4.832 4.340 -0.005 0.000 0.259 834 L C -2.120 174.694 176.870 -0.093 0.000 1.027 834 L CA -2.435 52.329 54.840 -0.126 0.000 0.828 834 L CB 1.860 43.803 42.059 -0.193 0.000 1.380 834 L HN 0.331 nan 8.230 nan 0.000 0.425 835 P HA 0.168 nan 4.420 nan 0.000 0.271 835 P C -0.540 176.732 177.300 -0.046 0.000 1.228 835 P CA 0.501 63.567 63.100 -0.057 0.000 0.797 835 P CB 0.331 32.000 31.700 -0.052 0.000 0.914 836 A N 0.000 122.803 122.820 -0.028 0.000 2.254 836 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 836 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 836 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486