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 1xl1_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT 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 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.538 120.022 120.570 -0.018 0.000 2.569 13 I HA 0.525 4.689 4.170 -0.010 0.000 0.296 13 I C 0.943 177.061 176.117 0.002 0.000 1.028 13 I CA -0.186 61.112 61.300 -0.004 0.000 1.082 13 I CB 2.110 40.112 38.000 0.003 0.000 1.264 13 I HN 0.342 nan 8.210 nan 0.000 0.429 14 S N 4.065 119.771 115.700 0.010 0.000 2.414 14 S HA -0.244 4.220 4.470 -0.010 0.000 0.238 14 S C 1.844 176.456 174.600 0.019 0.000 1.055 14 S CA 2.959 61.168 58.200 0.015 0.000 1.174 14 S CB -0.701 62.514 63.200 0.025 0.000 1.087 14 S HN 1.052 nan 8.310 nan 0.000 0.428 15 V N 0.316 120.250 119.914 0.033 0.000 3.099 15 V HA -0.037 4.077 4.120 -0.010 0.000 0.269 15 V C 1.822 177.933 176.094 0.027 0.000 1.150 15 V CA 1.921 64.244 62.300 0.038 0.000 1.165 15 V CB -1.170 30.683 31.823 0.050 0.000 0.756 15 V HN 0.433 nan 8.190 nan 0.000 0.527 16 R N 1.147 121.654 120.500 0.012 0.000 2.356 16 R HA 0.442 4.776 4.340 -0.010 0.000 0.234 16 R C 1.141 177.433 176.300 -0.014 0.000 0.929 16 R CA 0.509 56.609 56.100 -0.000 0.000 1.084 16 R CB 0.036 30.332 30.300 -0.007 0.000 1.105 16 R HN 0.788 nan 8.270 nan 0.000 0.515 17 G N 0.803 109.594 108.800 -0.014 0.000 2.796 17 G HA2 -0.228 3.726 3.960 -0.010 0.000 0.571 17 G HA3 -0.228 3.726 3.960 -0.010 0.000 0.571 17 G C -0.742 174.143 174.900 -0.025 0.000 1.370 17 G CA -1.038 44.045 45.100 -0.028 0.000 0.856 17 G HN -0.009 nan 8.290 nan 0.000 0.538 18 L N 0.156 121.362 121.223 -0.028 0.000 2.399 18 L HA 0.694 5.028 4.340 -0.010 0.000 0.266 18 L C 1.242 178.098 176.870 -0.022 0.000 1.114 18 L CA 0.295 55.122 54.840 -0.022 0.000 0.804 18 L CB 1.094 43.142 42.059 -0.019 0.000 1.146 18 L HN 1.562 nan 8.230 nan 0.000 0.451 19 A N 1.635 124.445 122.820 -0.016 0.000 3.158 19 A HA 0.559 4.872 4.320 -0.010 0.000 0.319 19 A C 0.735 178.317 177.584 -0.004 0.000 1.204 19 A CA -0.334 51.696 52.037 -0.011 0.000 0.992 19 A CB -0.453 18.541 19.000 -0.011 0.000 1.110 19 A HN 0.803 nan 8.150 nan 0.000 0.519 20 G N -0.278 108.519 108.800 -0.005 0.000 2.484 20 G HA2 0.300 4.254 3.960 -0.010 0.000 0.235 20 G HA3 0.300 4.254 3.960 -0.010 0.000 0.235 20 G C 1.032 175.937 174.900 0.008 0.000 1.282 20 G CA 0.110 45.211 45.100 0.002 0.000 0.857 20 G HN 0.440 nan 8.290 nan 0.000 0.571 21 V N 1.935 121.855 119.914 0.010 0.000 2.261 21 V HA -0.176 3.938 4.120 -0.010 0.000 0.246 21 V C 2.706 178.811 176.094 0.018 0.000 1.047 21 V CA 2.448 64.756 62.300 0.013 0.000 1.015 21 V CB -0.732 31.098 31.823 0.012 0.000 0.642 21 V HN 0.775 nan 8.190 nan 0.000 0.446 22 E N 1.086 121.297 120.200 0.019 0.000 2.051 22 E HA -0.209 4.135 4.350 -0.010 0.000 0.192 22 E C 2.057 178.678 176.600 0.036 0.000 0.991 22 E CA 1.498 57.913 56.400 0.025 0.000 0.799 22 E CB -0.379 29.335 29.700 0.024 0.000 0.748 22 E HN 0.793 nan 8.360 nan 0.000 0.449 23 N N -0.025 118.696 118.700 0.034 0.000 2.457 23 N HA -0.093 4.641 4.740 -0.010 0.000 0.180 23 N C 1.483 177.020 175.510 0.046 0.000 1.050 23 N CA 0.806 53.885 53.050 0.048 0.000 0.906 23 N CB -0.238 38.271 38.487 0.036 0.000 0.968 23 N HN 0.072 nan 8.380 nan 0.000 0.445 24 V N 0.664 120.597 119.914 0.031 0.000 2.453 24 V HA -0.127 3.987 4.120 -0.010 0.000 0.247 24 V C 2.188 178.305 176.094 0.038 0.000 1.048 24 V CA 1.955 64.272 62.300 0.029 0.000 1.049 24 V CB -0.888 30.948 31.823 0.021 0.000 0.672 24 V HN 0.395 nan 8.190 nan 0.000 0.457 25 T N -0.430 114.146 114.554 0.037 0.000 2.777 25 T HA -0.202 4.142 4.350 -0.010 0.000 0.266 25 T C 1.909 176.643 174.700 0.057 0.000 1.040 25 T CA 1.747 63.870 62.100 0.038 0.000 1.141 25 T CB -0.146 68.741 68.868 0.031 0.000 0.868 25 T HN 0.456 nan 8.240 nan 0.000 0.444 26 E N 1.120 121.361 120.200 0.069 0.000 2.077 26 E HA -0.026 4.318 4.350 -0.010 0.000 0.193 26 E C 2.047 178.724 176.600 0.130 0.000 0.989 26 E CA 0.938 57.392 56.400 0.090 0.000 0.800 26 E CB -0.548 29.212 29.700 0.100 0.000 0.746 26 E HN 0.437 nan 8.360 nan 0.000 0.452 27 L N 0.130 121.437 121.223 0.140 0.000 2.046 27 L HA -0.196 4.137 4.340 -0.010 0.000 0.208 27 L C 2.479 179.461 176.870 0.188 0.000 1.077 27 L CA 1.589 56.539 54.840 0.182 0.000 0.747 27 L CB -0.402 41.735 42.059 0.130 0.000 0.896 27 L HN 0.102 nan 8.230 nan 0.000 0.432 28 K N 0.555 121.024 120.400 0.115 0.000 2.057 28 K HA -0.203 4.111 4.320 -0.010 0.000 0.207 28 K C 2.120 178.821 176.600 0.169 0.000 1.049 28 K CA 1.762 58.108 56.287 0.098 0.000 0.931 28 K CB -0.083 32.433 32.500 0.027 0.000 0.714 28 K HN 0.412 nan 8.250 nan 0.000 0.440 29 K N 0.178 120.657 120.400 0.131 0.000 2.103 29 K HA -0.032 4.282 4.320 -0.010 0.000 0.204 29 K C 1.577 178.261 176.600 0.140 0.000 1.052 29 K CA 1.219 57.578 56.287 0.120 0.000 0.945 29 K CB -0.111 32.434 32.500 0.075 0.000 0.722 29 K HN 0.008 nan 8.250 nan 0.000 0.443 30 N N 0.507 119.301 118.700 0.156 0.000 2.331 30 N HA -0.093 4.641 4.740 -0.010 0.000 0.180 30 N C 1.549 177.194 175.510 0.224 0.000 1.019 30 N CA 0.825 53.953 53.050 0.129 0.000 0.881 30 N CB -0.200 38.374 38.487 0.145 0.000 0.972 30 N HN 0.208 nan 8.380 nan 0.000 0.435 31 F N 2.548 122.592 119.950 0.156 0.000 2.102 31 F HA -0.081 4.440 4.527 -0.010 0.000 0.298 31 F C 1.997 177.901 175.800 0.174 0.000 1.105 31 F CA 1.271 59.385 58.000 0.189 0.000 1.239 31 F CB -0.155 38.931 39.000 0.143 0.000 0.991 31 F HN -0.040 nan 8.300 nan 0.000 0.474 32 N N 0.426 119.355 118.700 0.381 0.000 2.244 32 N HA -0.164 4.570 4.740 -0.010 0.000 0.183 32 N C 2.082 177.665 175.510 0.121 0.000 1.016 32 N CA 0.685 53.878 53.050 0.239 0.000 0.866 32 N CB -0.506 38.102 38.487 0.200 0.000 0.980 32 N HN 0.261 nan 8.380 nan 0.000 0.430 33 R N 0.944 121.515 120.500 0.118 0.000 2.081 33 R HA -0.085 4.249 4.340 -0.010 0.000 0.235 33 R C 1.537 177.913 176.300 0.127 0.000 1.131 33 R CA 1.447 57.639 56.100 0.153 0.000 0.960 33 R CB -0.526 29.802 30.300 0.047 0.000 0.856 33 R HN 0.462 nan 8.270 nan 0.000 0.436 34 H N -0.420 118.687 119.070 0.061 0.000 2.395 34 H HA -0.090 4.459 4.556 -0.010 0.000 0.299 34 H C 1.847 177.101 175.328 -0.123 0.000 1.070 34 H CA 1.201 57.220 56.048 -0.048 0.000 1.356 34 H CB 0.072 29.767 29.762 -0.111 0.000 1.401 34 H HN 0.051 nan 8.280 nan 0.000 0.524 35 L N 0.131 121.326 121.223 -0.046 0.000 2.042 35 L HA -0.209 4.125 4.340 -0.010 0.000 0.210 35 L C 2.172 179.008 176.870 -0.056 0.000 1.076 35 L CA 1.912 56.691 54.840 -0.101 0.000 0.749 35 L CB -0.490 41.521 42.059 -0.079 0.000 0.893 35 L HN 0.303 nan 8.230 nan 0.000 0.432 36 H N -1.661 117.319 119.070 -0.150 0.000 2.266 36 H HA -0.069 4.481 4.556 -0.010 0.000 0.308 36 H C 1.844 176.975 175.328 -0.329 0.000 1.057 36 H CA 2.284 58.153 56.048 -0.299 0.000 1.330 36 H CB -0.362 29.110 29.762 -0.483 0.000 1.400 36 H HN 0.271 nan 8.280 nan 0.000 0.503 37 F N -0.208 119.736 119.950 -0.010 0.000 2.206 37 F HA -0.067 4.454 4.527 -0.010 0.000 0.298 37 F C 2.624 178.355 175.800 -0.115 0.000 1.090 37 F CA 1.493 59.440 58.000 -0.087 0.000 1.323 37 F CB -0.514 38.474 39.000 -0.019 0.000 1.028 37 F HN 0.208 nan 8.300 nan 0.000 0.492 38 T N -0.421 114.172 114.554 0.065 0.000 2.901 38 T HA 0.027 4.371 4.350 -0.010 0.000 0.252 38 T C 1.686 176.286 174.700 -0.168 0.000 1.035 38 T CA 0.702 62.760 62.100 -0.069 0.000 1.142 38 T CB -0.135 68.653 68.868 -0.133 0.000 0.869 38 T HN -0.060 nan 8.240 nan 0.000 0.442 39 L N 0.979 122.101 121.223 -0.168 0.000 2.529 39 L HA 0.294 4.628 4.340 -0.010 0.000 0.223 39 L C 0.694 177.460 176.870 -0.174 0.000 1.113 39 L CA 0.267 54.996 54.840 -0.185 0.000 0.861 39 L CB -0.742 41.213 42.059 -0.174 0.000 1.012 39 L HN 0.043 nan 8.230 nan 0.000 0.461 40 V N 0.246 120.042 119.914 -0.196 0.000 6.078 40 V HA -0.293 3.821 4.120 -0.010 0.000 0.301 40 V C 0.415 176.393 176.094 -0.195 0.000 0.571 40 V CA 0.836 62.993 62.300 -0.238 0.000 0.625 40 V CB -2.099 29.613 31.823 -0.185 0.000 0.271 40 V HN 0.443 nan 8.190 nan 0.000 0.788 41 K N 0.642 120.936 120.400 -0.176 0.000 2.509 41 K HA 0.724 5.038 4.320 -0.010 0.000 0.266 41 K C -0.575 175.991 176.600 -0.057 0.000 0.987 41 K CA -0.464 55.753 56.287 -0.117 0.000 0.868 41 K CB 2.810 35.233 32.500 -0.129 0.000 1.421 41 K HN 0.484 nan 8.250 nan 0.000 0.444 42 D N -0.998 119.389 120.400 -0.021 0.000 2.497 42 D HA 0.323 4.957 4.640 -0.010 0.000 0.243 42 D C 0.588 176.921 176.300 0.055 0.000 1.039 42 D CA -0.737 53.285 54.000 0.038 0.000 1.052 42 D CB 0.895 41.717 40.800 0.037 0.000 1.344 42 D HN 0.097 nan 8.370 nan 0.000 0.553 43 R N 0.101 120.666 120.500 0.108 0.000 2.341 43 R HA 0.030 4.364 4.340 -0.010 0.000 0.213 43 R C 0.531 176.906 176.300 0.125 0.000 1.082 43 R CA 0.354 56.557 56.100 0.171 0.000 1.017 43 R CB -0.741 29.663 30.300 0.172 0.000 0.860 43 R HN 0.500 nan 8.270 nan 0.000 0.473 44 N N 0.071 118.811 118.700 0.068 0.000 2.415 44 N HA -0.053 4.681 4.740 -0.010 0.000 0.176 44 N C 1.450 176.978 175.510 0.031 0.000 1.042 44 N CA 1.025 54.105 53.050 0.049 0.000 0.902 44 N CB 0.614 39.119 38.487 0.031 0.000 0.986 44 N HN 0.174 nan 8.380 nan 0.000 0.447 45 V N -2.914 117.005 119.914 0.008 0.000 3.432 45 V HA 0.535 4.649 4.120 -0.010 0.000 0.298 45 V C 0.735 176.794 176.094 -0.060 0.000 1.464 45 V CA -0.587 61.702 62.300 -0.017 0.000 1.046 45 V CB -0.172 31.635 31.823 -0.026 0.000 0.887 45 V HN 0.011 nan 8.190 nan 0.000 0.441 46 A N 2.077 124.836 122.820 -0.101 0.000 2.425 46 A HA 0.616 4.930 4.320 -0.010 0.000 0.249 46 A C 0.701 178.114 177.584 -0.285 0.000 1.084 46 A CA 0.776 52.636 52.037 -0.295 0.000 0.781 46 A CB 0.012 18.672 19.000 -0.567 0.000 1.019 46 A HN 0.836 nan 8.150 nan 0.000 0.490 47 T N -0.151 114.235 114.554 -0.281 0.000 2.949 47 T HA 0.585 4.929 4.350 -0.010 0.000 0.287 47 T C -2.200 172.454 174.700 -0.077 0.000 1.034 47 T CA -1.822 60.216 62.100 -0.103 0.000 1.018 47 T CB 1.382 70.230 68.868 -0.033 0.000 1.135 47 T HN 0.234 nan 8.240 nan 0.000 0.532 48 P HA -0.125 nan 4.420 nan 0.000 0.217 48 P C 1.604 179.039 177.300 0.225 0.000 1.151 48 P CA 1.026 64.290 63.100 0.272 0.000 0.849 48 P CB 0.066 31.876 31.700 0.183 0.000 0.787 49 R N -0.105 120.471 120.500 0.127 0.000 2.081 49 R HA -0.141 4.193 4.340 -0.010 0.000 0.235 49 R C 1.687 178.179 176.300 0.320 0.000 1.131 49 R CA 1.785 58.003 56.100 0.197 0.000 0.960 49 R CB -0.695 29.647 30.300 0.070 0.000 0.856 49 R HN 0.088 nan 8.270 nan 0.000 0.436 50 D N -0.324 120.132 120.400 0.094 0.000 2.117 50 D HA -0.189 4.445 4.640 -0.010 0.000 0.197 50 D C 1.707 178.024 176.300 0.027 0.000 0.987 50 D CA 1.313 55.311 54.000 -0.003 0.000 0.829 50 D CB -0.290 40.356 40.800 -0.256 0.000 0.961 50 D HN 0.309 nan 8.370 nan 0.000 0.460 51 Y N -0.032 120.376 120.300 0.181 0.000 2.242 51 Y HA -0.196 4.348 4.550 -0.010 0.000 0.291 51 Y C 2.299 178.334 175.900 0.226 0.000 1.137 51 Y CA 0.353 58.597 58.100 0.239 0.000 1.181 51 Y CB -1.049 37.611 38.460 0.335 0.000 0.989 51 Y HN 0.087 nan 8.280 nan 0.000 0.527 52 Y N -0.506 119.946 120.300 0.253 0.000 2.145 52 Y HA -0.269 4.275 4.550 -0.010 0.000 0.286 52 Y C 1.904 177.785 175.900 -0.032 0.000 1.145 52 Y CA 1.230 59.378 58.100 0.079 0.000 1.148 52 Y CB -1.140 37.272 38.460 -0.081 0.000 0.981 52 Y HN 0.045 nan 8.280 nan 0.000 0.507 53 F N 0.282 119.991 119.950 -0.402 0.000 2.186 53 F HA -0.106 4.415 4.527 -0.010 0.000 0.299 53 F C 2.649 178.290 175.800 -0.265 0.000 1.090 53 F CA 1.311 59.029 58.000 -0.469 0.000 1.307 53 F CB -0.874 38.026 39.000 -0.166 0.000 1.019 53 F HN 0.198 nan 8.300 nan 0.000 0.489 54 A N -0.139 122.627 122.820 -0.090 0.000 1.902 54 A HA -0.186 4.128 4.320 -0.010 0.000 0.217 54 A C 2.076 179.542 177.584 -0.195 0.000 1.181 54 A CA 1.628 53.485 52.037 -0.301 0.000 0.623 54 A CB -1.014 17.468 19.000 -0.864 0.000 0.818 54 A HN 0.342 nan 8.150 nan 0.000 0.443 55 L N -0.317 120.902 121.223 -0.006 0.000 2.056 55 L HA 0.011 4.345 4.340 -0.010 0.000 0.207 55 L C 2.675 179.550 176.870 0.008 0.000 1.078 55 L CA 2.108 57.074 54.840 0.210 0.000 0.749 55 L CB -0.947 41.309 42.059 0.328 0.000 0.901 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.158 121.492 122.820 -0.284 0.000 1.883 56 A HA -0.291 4.023 4.320 -0.010 0.000 0.217 56 A C 2.150 179.405 177.584 -0.549 0.000 1.186 56 A CA 2.077 53.831 52.037 -0.472 0.000 0.624 56 A CB -1.106 17.270 19.000 -1.039 0.000 0.822 56 A HN 0.671 nan 8.150 nan 0.000 0.444 57 H N -0.795 117.974 119.070 -0.502 0.000 2.387 57 H HA -0.054 4.496 4.556 -0.010 0.000 0.299 57 H C 2.351 177.464 175.328 -0.358 0.000 1.090 57 H CA 1.977 57.662 56.048 -0.605 0.000 1.332 57 H CB -0.206 28.910 29.762 -1.076 0.000 1.386 57 H HN 0.468 nan 8.280 nan 0.000 0.516 58 T N -0.295 114.265 114.554 0.010 0.000 2.746 58 T HA -0.134 4.210 4.350 -0.010 0.000 0.267 58 T C 2.261 177.148 174.700 0.312 0.000 1.039 58 T CA 1.351 63.624 62.100 0.288 0.000 1.142 58 T CB -0.395 68.691 68.868 0.364 0.000 0.866 58 T HN 0.095 nan 8.240 nan 0.000 0.444 59 V N 1.664 121.728 119.914 0.251 0.000 2.358 59 V HA -0.130 3.984 4.120 -0.010 0.000 0.246 59 V C 2.646 178.929 176.094 0.314 0.000 1.047 59 V CA 1.558 64.041 62.300 0.306 0.000 1.035 59 V CB -0.649 31.346 31.823 0.286 0.000 0.658 59 V HN 0.381 nan 8.190 nan 0.000 0.452 60 R N 0.291 120.919 120.500 0.214 0.000 2.103 60 R HA -0.240 4.094 4.340 -0.010 0.000 0.242 60 R C 1.951 178.351 176.300 0.167 0.000 1.142 60 R CA 2.235 58.446 56.100 0.185 0.000 0.960 60 R CB -0.508 29.719 30.300 -0.122 0.000 0.858 60 R HN 0.475 nan 8.270 nan 0.000 0.439 61 D N -0.139 120.348 120.400 0.145 0.000 2.149 61 D HA -0.171 4.463 4.640 -0.010 0.000 0.198 61 D C 1.728 178.037 176.300 0.014 0.000 0.990 61 D CA 1.148 55.200 54.000 0.087 0.000 0.839 61 D CB -0.407 40.433 40.800 0.067 0.000 0.948 61 D HN 0.475 nan 8.370 nan 0.000 0.460 62 H N -0.366 118.770 119.070 0.111 0.000 2.524 62 H HA 0.056 4.606 4.556 -0.010 0.000 0.282 62 H C 2.184 177.555 175.328 0.071 0.000 1.016 62 H CA 0.329 56.425 56.048 0.080 0.000 1.270 62 H CB 0.392 30.194 29.762 0.065 0.000 1.394 62 H HN 0.207 nan 8.280 nan 0.000 0.568 63 L N 0.452 121.784 121.223 0.181 0.000 2.127 63 L HA -0.109 4.225 4.340 -0.010 0.000 0.203 63 L C 2.777 179.758 176.870 0.184 0.000 1.080 63 L CA 0.508 55.423 54.840 0.125 0.000 0.768 63 L CB -0.206 41.896 42.059 0.072 0.000 0.924 63 L HN 0.101 nan 8.230 nan 0.000 0.444 64 V N -1.795 118.253 119.914 0.224 0.000 2.278 64 V HA -0.230 3.884 4.120 -0.010 0.000 0.251 64 V C 2.326 178.533 176.094 0.188 0.000 1.062 64 V CA 2.198 64.661 62.300 0.271 0.000 1.038 64 V CB -1.957 29.979 31.823 0.188 0.000 0.646 64 V HN 0.417 nan 8.190 nan 0.000 0.447 65 G N 0.400 109.266 108.800 0.110 0.000 2.491 65 G HA2 -0.272 3.682 3.960 -0.010 0.000 0.218 65 G HA3 -0.272 3.682 3.960 -0.010 0.000 0.218 65 G C 1.750 176.697 174.900 0.078 0.000 1.180 65 G CA 1.158 46.299 45.100 0.069 0.000 0.774 65 G HN 0.572 nan 8.290 nan 0.000 0.562 66 R N -1.471 119.084 120.500 0.091 0.000 2.096 66 R HA -0.081 4.252 4.340 -0.010 0.000 0.235 66 R C 2.284 178.662 176.300 0.129 0.000 1.127 66 R CA 1.160 57.300 56.100 0.067 0.000 0.968 66 R CB -0.366 29.956 30.300 0.038 0.000 0.861 66 R HN 0.492 nan 8.270 nan 0.000 0.440 67 W N 1.679 122.955 121.300 -0.041 0.000 2.355 67 W HA -0.060 4.594 4.660 -0.010 0.000 0.309 67 W C 1.717 178.202 176.519 -0.057 0.000 1.206 67 W CA 0.836 58.152 57.345 -0.048 0.000 1.284 67 W CB -0.546 28.904 29.460 -0.017 0.000 1.145 67 W HN -0.043 nan 8.180 nan 0.000 0.502 68 I N 1.045 121.670 120.570 0.091 0.000 2.179 68 I HA -0.339 3.824 4.170 -0.010 0.000 0.242 68 I C 2.635 178.732 176.117 -0.033 0.000 1.088 68 I CA 1.935 63.204 61.300 -0.053 0.000 1.357 68 I CB -0.565 37.410 38.000 -0.041 0.000 1.051 68 I HN -0.018 nan 8.210 nan 0.000 0.409 69 R N 0.115 120.612 120.500 -0.006 0.000 2.148 69 R HA -0.038 4.296 4.340 -0.010 0.000 0.223 69 R C 1.968 178.232 176.300 -0.061 0.000 1.088 69 R CA 1.424 57.513 56.100 -0.018 0.000 0.985 69 R CB -1.173 29.117 30.300 -0.015 0.000 0.880 69 R HN 0.195 nan 8.270 nan 0.000 0.451 70 T N 1.670 116.162 114.554 -0.104 0.000 2.708 70 T HA -0.105 4.239 4.350 -0.010 0.000 0.266 70 T C 1.832 176.253 174.700 -0.465 0.000 1.037 70 T CA 1.342 63.265 62.100 -0.296 0.000 1.146 70 T CB -0.102 68.633 68.868 -0.222 0.000 0.865 70 T HN 0.226 nan 8.240 nan 0.000 0.435 71 Q N 0.787 120.461 119.800 -0.210 0.000 2.119 71 Q HA -0.075 4.259 4.340 -0.010 0.000 0.201 71 Q C 2.343 178.353 176.000 0.017 0.000 0.972 71 Q CA 1.258 57.012 55.803 -0.081 0.000 0.847 71 Q CB -0.533 28.185 28.738 -0.033 0.000 0.903 71 Q HN 0.467 nan 8.270 nan 0.000 0.433 72 Q N 0.099 119.903 119.800 0.007 0.000 2.119 72 Q HA -0.174 4.160 4.340 -0.010 0.000 0.201 72 Q C 1.869 177.955 176.000 0.144 0.000 0.972 72 Q CA 1.821 57.674 55.803 0.085 0.000 0.847 72 Q CB -0.365 28.404 28.738 0.051 0.000 0.903 72 Q HN 0.548 nan 8.270 nan 0.000 0.433 73 H N -1.004 118.040 119.070 -0.043 0.000 2.319 73 H HA -0.174 4.376 4.556 -0.010 0.000 0.299 73 H C 1.121 176.514 175.328 0.109 0.000 1.092 73 H CA 2.283 58.314 56.048 -0.028 0.000 1.302 73 H CB -0.262 29.409 29.762 -0.152 0.000 1.373 73 H HN 0.346 nan 8.280 nan 0.000 0.497 74 Y N -1.117 119.252 120.300 0.116 0.000 2.274 74 Y HA -0.178 4.366 4.550 -0.010 0.000 0.290 74 Y C 2.375 178.319 175.900 0.074 0.000 1.145 74 Y CA 0.950 59.088 58.100 0.064 0.000 1.203 74 Y CB -1.252 37.295 38.460 0.146 0.000 0.984 74 Y HN 0.363 nan 8.280 nan 0.000 0.533 75 Y N 1.333 121.721 120.300 0.147 0.000 2.163 75 Y HA -0.171 4.373 4.550 -0.010 0.000 0.288 75 Y C 2.132 178.044 175.900 0.020 0.000 1.136 75 Y CA 1.671 59.819 58.100 0.080 0.000 1.147 75 Y CB -0.183 38.313 38.460 0.059 0.000 0.987 75 Y HN 0.029 nan 8.280 nan 0.000 0.509 76 E N 0.580 120.753 120.200 -0.046 0.000 2.031 76 E HA -0.201 4.143 4.350 -0.010 0.000 0.193 76 E C 2.040 178.526 176.600 -0.189 0.000 0.994 76 E CA 1.657 57.962 56.400 -0.158 0.000 0.800 76 E CB -0.338 29.323 29.700 -0.065 0.000 0.752 76 E HN 0.522 nan 8.360 nan 0.000 0.447 77 K N 0.514 120.796 120.400 -0.197 0.000 2.296 77 K HA -0.075 4.239 4.320 -0.010 0.000 0.200 77 K C 0.091 176.629 176.600 -0.102 0.000 1.048 77 K CA 0.518 56.705 56.287 -0.166 0.000 0.966 77 K CB 0.016 32.373 32.500 -0.238 0.000 0.754 77 K HN 0.012 nan 8.250 nan 0.000 0.466 78 D N 0.920 121.274 120.400 -0.077 0.000 2.735 78 D HA -0.106 4.528 4.640 -0.010 0.000 0.235 78 D C -2.363 173.918 176.300 -0.032 0.000 1.175 78 D CA 0.043 54.014 54.000 -0.049 0.000 0.683 78 D CB -0.072 40.668 40.800 -0.101 0.000 1.008 78 D HN 0.175 nan 8.370 nan 0.000 0.416 79 P HA 0.092 nan 4.420 nan 0.000 0.277 79 P C -0.155 177.110 177.300 -0.060 0.000 1.271 79 P CA -0.615 62.458 63.100 -0.046 0.000 0.795 79 P CB 0.655 32.316 31.700 -0.064 0.000 1.101 80 K N 1.016 121.381 120.400 -0.058 0.000 2.412 80 K HA 0.067 4.381 4.320 -0.010 0.000 0.281 80 K C -0.031 176.485 176.600 -0.140 0.000 1.027 80 K CA -0.061 56.184 56.287 -0.070 0.000 0.989 80 K CB 0.233 32.708 32.500 -0.043 0.000 0.935 80 K HN 0.245 nan 8.250 nan 0.000 0.475 81 R N 3.613 124.015 120.500 -0.163 0.000 2.368 81 R HA 0.342 4.676 4.340 -0.010 0.000 0.302 81 R C -0.553 175.458 176.300 -0.482 0.000 1.002 81 R CA -0.436 55.484 56.100 -0.300 0.000 0.929 81 R CB 0.802 30.941 30.300 -0.268 0.000 1.073 81 R HN 0.499 nan 8.270 nan 0.000 0.464 82 I N 4.551 124.778 120.570 -0.571 0.000 2.354 82 I HA 0.221 4.385 4.170 -0.010 0.000 0.292 82 I C -0.689 175.081 176.117 -0.579 0.000 0.989 82 I CA -0.760 60.152 61.300 -0.647 0.000 1.188 82 I CB 0.979 38.492 38.000 -0.812 0.000 1.342 82 I HN 0.537 nan 8.210 nan 0.000 0.457 83 Y N 5.899 126.166 120.300 -0.056 0.000 2.345 83 Y HA 0.282 4.826 4.550 -0.010 0.000 0.331 83 Y C -0.311 175.699 175.900 0.184 0.000 0.959 83 Y CA -0.783 57.416 58.100 0.164 0.000 1.204 83 Y CB 1.128 39.660 38.460 0.121 0.000 1.135 83 Y HN 0.385 nan 8.280 nan 0.000 0.477 84 Y N 4.586 125.067 120.300 0.303 0.000 2.518 84 Y HA 0.463 5.007 4.550 -0.010 0.000 0.344 84 Y C -1.162 175.007 175.900 0.447 0.000 0.982 84 Y CA -0.984 57.303 58.100 0.311 0.000 1.234 84 Y CB 0.231 38.874 38.460 0.305 0.000 1.114 84 Y HN 0.498 nan 8.280 nan 0.000 0.515 85 L N 4.838 126.126 121.223 0.110 0.000 2.290 85 L HA 0.467 4.801 4.340 -0.010 0.000 0.284 85 L C -0.083 176.819 176.870 0.052 0.000 1.078 85 L CA 0.175 55.133 54.840 0.197 0.000 0.815 85 L CB 1.236 43.375 42.059 0.133 0.000 1.162 85 L HN 0.570 nan 8.230 nan 0.000 0.435 86 S N 2.349 118.174 115.700 0.208 0.000 2.537 86 S HA 0.509 4.973 4.470 -0.010 0.000 0.270 86 S C 0.189 174.908 174.600 0.198 0.000 1.142 86 S CA -0.516 57.706 58.200 0.036 0.000 0.870 86 S CB 1.015 64.000 63.200 -0.359 0.000 1.112 86 S HN 0.455 nan 8.310 nan 0.000 0.466 87 L N 2.658 124.021 121.223 0.232 0.000 2.591 87 L HA 0.455 4.789 4.340 -0.010 0.000 0.228 87 L C 0.272 177.361 176.870 0.364 0.000 1.133 87 L CA 0.957 56.001 54.840 0.341 0.000 0.880 87 L CB -0.070 42.205 42.059 0.361 0.000 1.033 87 L HN 0.648 nan 8.230 nan 0.000 0.450 88 E N -1.308 118.981 120.200 0.148 0.000 2.292 88 E HA 0.419 4.763 4.350 -0.010 0.000 0.272 88 E C -1.403 175.088 176.600 -0.183 0.000 0.881 88 E CA -0.466 56.003 56.400 0.115 0.000 0.754 88 E CB 1.945 31.693 29.700 0.079 0.000 1.201 88 E HN -0.179 nan 8.360 nan 0.000 0.425 89 F N 2.072 122.122 119.950 0.166 0.000 2.828 89 F HA 0.170 4.691 4.527 -0.010 0.000 0.355 89 F C -0.958 174.913 175.800 0.118 0.000 1.200 89 F CA -0.751 57.334 58.000 0.142 0.000 1.062 89 F CB 0.993 40.068 39.000 0.125 0.000 1.351 89 F HN 0.482 nan 8.300 nan 0.000 0.504 90 Y N 5.268 125.637 120.300 0.115 0.000 2.632 90 Y HA 0.220 4.765 4.550 -0.010 0.000 0.336 90 Y C 1.004 176.924 175.900 0.034 0.000 1.237 90 Y CA -1.028 57.094 58.100 0.037 0.000 1.595 90 Y CB 0.346 38.809 38.460 0.005 0.000 1.508 90 Y HN 0.541 nan 8.280 nan 0.000 0.480 91 M N 1.643 121.407 119.600 0.274 0.000 2.200 91 M HA 0.099 4.573 4.480 -0.010 0.000 0.265 91 M C 1.577 177.889 176.300 0.020 0.000 1.066 91 M CA 1.187 56.550 55.300 0.105 0.000 1.127 91 M CB -1.303 31.321 32.600 0.040 0.000 1.379 91 M HN 0.703 nan 8.290 nan 0.000 0.420 92 G N 0.965 109.813 108.800 0.079 0.000 2.553 92 G HA2 -0.264 3.690 3.960 -0.010 0.000 0.242 92 G HA3 -0.264 3.690 3.960 -0.010 0.000 0.242 92 G C -0.291 174.586 174.900 -0.039 0.000 1.277 92 G CA -0.328 44.766 45.100 -0.010 0.000 0.910 92 G HN 0.434 nan 8.290 nan 0.000 0.576 93 R N -0.610 119.838 120.500 -0.086 0.000 2.582 93 R HA 0.541 4.875 4.340 -0.010 0.000 0.271 93 R C 1.117 177.300 176.300 -0.196 0.000 1.078 93 R CA 0.434 56.484 56.100 -0.084 0.000 1.127 93 R CB 0.639 30.892 30.300 -0.078 0.000 1.038 93 R HN 0.535 nan 8.270 nan 0.000 0.500 94 T N 1.398 115.776 114.554 -0.293 0.000 2.978 94 T HA -0.009 4.334 4.350 -0.010 0.000 0.248 94 T C 1.453 175.744 174.700 -0.683 0.000 1.018 94 T CA -0.168 61.542 62.100 -0.650 0.000 1.026 94 T CB 0.122 68.216 68.868 -1.290 0.000 1.032 94 T HN 0.312 nan 8.240 nan 0.000 0.485 95 L N 2.020 123.064 121.223 -0.298 0.000 1.956 95 L HA -0.094 4.240 4.340 -0.010 0.000 0.216 95 L C 2.484 179.311 176.870 -0.072 0.000 1.073 95 L CA 2.043 56.875 54.840 -0.013 0.000 0.762 95 L CB -0.706 41.556 42.059 0.339 0.000 0.889 95 L HN 0.194 nan 8.230 nan 0.000 0.433 96 Q N -0.832 118.929 119.800 -0.064 0.000 2.084 96 Q HA -0.255 4.079 4.340 -0.010 0.000 0.202 96 Q C 2.237 178.163 176.000 -0.123 0.000 0.978 96 Q CA 1.878 57.638 55.803 -0.072 0.000 0.844 96 Q CB -0.326 28.368 28.738 -0.074 0.000 0.898 96 Q HN 0.701 nan 8.270 nan 0.000 0.426 97 N N -0.991 117.595 118.700 -0.190 0.000 2.149 97 N HA -0.152 4.582 4.740 -0.010 0.000 0.188 97 N C 1.347 176.747 175.510 -0.184 0.000 1.019 97 N CA 1.798 54.727 53.050 -0.202 0.000 0.857 97 N CB 0.057 38.389 38.487 -0.257 0.000 0.997 97 N HN 0.223 nan 8.380 nan 0.000 0.426 98 T N 1.222 115.631 114.554 -0.241 0.000 2.777 98 T HA -0.043 4.301 4.350 -0.010 0.000 0.266 98 T C 2.056 176.691 174.700 -0.108 0.000 1.040 98 T CA 1.017 62.993 62.100 -0.207 0.000 1.141 98 T CB -0.047 68.651 68.868 -0.285 0.000 0.868 98 T HN 0.271 nan 8.240 nan 0.000 0.444 99 M N 0.596 120.149 119.600 -0.078 0.000 2.117 99 M HA -0.079 4.394 4.480 -0.010 0.000 0.262 99 M C 2.482 178.749 176.300 -0.056 0.000 1.065 99 M CA 1.234 56.504 55.300 -0.051 0.000 1.114 99 M CB -0.672 31.914 32.600 -0.024 0.000 1.361 99 M HN 0.096 nan 8.290 nan 0.000 0.408 100 V N 1.026 120.913 119.914 -0.045 0.000 2.287 100 V HA -0.277 3.837 4.120 -0.010 0.000 0.248 100 V C 1.738 177.846 176.094 0.023 0.000 1.053 100 V CA 2.009 64.310 62.300 0.002 0.000 1.027 100 V CB -0.910 30.916 31.823 0.006 0.000 0.646 100 V HN 0.476 nan 8.190 nan 0.000 0.447 101 N N -0.469 118.228 118.700 -0.005 0.000 2.459 101 N HA -0.030 4.704 4.740 -0.010 0.000 0.181 101 N C 1.026 176.438 175.510 -0.163 0.000 1.046 101 N CA 0.670 53.696 53.050 -0.039 0.000 0.904 101 N CB -0.052 38.422 38.487 -0.022 0.000 0.964 101 N HN 0.300 nan 8.380 nan 0.000 0.444 102 L N -0.349 120.797 121.223 -0.129 0.000 2.693 102 L HA 0.420 4.754 4.340 -0.010 0.000 0.235 102 L C 0.500 177.286 176.870 -0.141 0.000 1.127 102 L CA -0.229 54.534 54.840 -0.129 0.000 0.914 102 L CB -0.556 41.451 42.059 -0.087 0.000 1.193 102 L HN 0.071 nan 8.230 nan 0.000 0.502 103 A N -0.402 122.332 122.820 -0.143 0.000 2.791 103 A HA -0.219 4.095 4.320 -0.010 0.000 0.292 103 A C 0.984 178.509 177.584 -0.098 0.000 1.487 103 A CA 0.969 52.935 52.037 -0.119 0.000 0.760 103 A CB -1.888 17.027 19.000 -0.141 0.000 1.031 103 A HN 0.221 nan 8.150 nan 0.000 0.503 104 L N -0.945 120.221 121.223 -0.096 0.000 2.766 104 L HA 0.262 4.596 4.340 -0.010 0.000 0.242 104 L C 1.777 178.611 176.870 -0.059 0.000 1.136 104 L CA 1.386 56.164 54.840 -0.102 0.000 0.933 104 L CB -0.175 41.792 42.059 -0.153 0.000 1.241 104 L HN 0.622 nan 8.230 nan 0.000 0.522 105 E N -0.059 120.116 120.200 -0.042 0.000 2.038 105 E HA -0.238 4.106 4.350 -0.010 0.000 0.195 105 E C 1.568 178.157 176.600 -0.019 0.000 1.000 105 E CA 1.509 57.896 56.400 -0.023 0.000 0.803 105 E CB 0.265 29.954 29.700 -0.019 0.000 0.750 105 E HN 0.410 nan 8.360 nan 0.000 0.448 106 N N -0.012 118.674 118.700 -0.024 0.000 2.142 106 N HA -0.113 4.621 4.740 -0.010 0.000 0.186 106 N C 1.579 177.078 175.510 -0.020 0.000 1.023 106 N CA 1.186 54.222 53.050 -0.023 0.000 0.852 106 N CB -0.365 38.107 38.487 -0.025 0.000 0.998 106 N HN 0.220 nan 8.380 nan 0.000 0.424 107 A N 0.529 123.335 122.820 -0.024 0.000 1.877 107 A HA -0.155 4.159 4.320 -0.010 0.000 0.216 107 A C 2.661 180.242 177.584 -0.006 0.000 1.186 107 A CA 1.409 53.435 52.037 -0.018 0.000 0.620 107 A CB -1.041 17.939 19.000 -0.034 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 C N -0.812 118.484 119.300 -0.006 0.000 2.435 108 C HA -0.059 4.395 4.460 -0.010 0.000 0.279 108 C C 2.461 177.458 174.990 0.012 0.000 1.321 108 C CA 1.078 60.105 59.018 0.015 0.000 1.752 108 C CB -1.112 26.649 27.740 0.034 0.000 1.959 108 C HN 0.700 nan 8.230 nan 0.000 0.500 109 D N 0.764 121.169 120.400 0.008 0.000 2.117 109 D HA -0.139 4.495 4.640 -0.010 0.000 0.197 109 D C 2.124 178.441 176.300 0.030 0.000 0.987 109 D CA 1.519 55.525 54.000 0.011 0.000 0.829 109 D CB -0.228 40.566 40.800 -0.009 0.000 0.961 109 D HN 0.485 nan 8.370 nan 0.000 0.460 110 E N 0.316 120.529 120.200 0.022 0.000 2.028 110 E HA -0.051 4.293 4.350 -0.010 0.000 0.191 110 E C 1.925 178.571 176.600 0.077 0.000 0.988 110 E CA 1.684 58.121 56.400 0.062 0.000 0.799 110 E CB -0.637 29.081 29.700 0.031 0.000 0.755 110 E HN 0.193 nan 8.360 nan 0.000 0.447 111 A N -0.045 122.784 122.820 0.016 0.000 1.892 111 A HA -0.248 4.066 4.320 -0.010 0.000 0.218 111 A C 2.514 180.026 177.584 -0.120 0.000 1.188 111 A CA 3.075 55.092 52.037 -0.034 0.000 0.631 111 A CB -1.571 17.414 19.000 -0.025 0.000 0.822 111 A HN 0.542 nan 8.150 nan 0.000 0.447 112 T N -3.907 110.573 114.554 -0.125 0.000 2.904 112 T HA -0.188 4.155 4.350 -0.010 0.000 0.267 112 T C 1.820 176.440 174.700 -0.134 0.000 1.059 112 T CA 1.474 63.438 62.100 -0.227 0.000 1.137 112 T CB -0.538 68.239 68.868 -0.151 0.000 0.879 112 T HN 0.472 nan 8.240 nan 0.000 0.467 113 Y N 2.199 122.420 120.300 -0.132 0.000 2.145 113 Y HA -0.089 4.455 4.550 -0.009 0.000 0.286 113 Y C 2.619 178.457 175.900 -0.104 0.000 1.145 113 Y CA 1.562 59.603 58.100 -0.099 0.000 1.148 113 Y CB -0.643 37.778 38.460 -0.065 0.000 0.981 113 Y HN 0.238 nan 8.280 nan 0.000 0.507 114 Q N -0.869 118.814 119.800 -0.194 0.000 2.226 114 Q HA -0.141 4.193 4.340 -0.010 0.000 0.204 114 Q C 1.540 177.382 176.000 -0.262 0.000 0.975 114 Q CA 1.079 56.727 55.803 -0.258 0.000 0.866 114 Q CB -0.127 28.557 28.738 -0.091 0.000 0.915 114 Q HN 0.350 nan 8.270 nan 0.000 0.440 115 L N -0.815 120.249 121.223 -0.266 0.000 2.599 115 L HA 0.133 4.467 4.340 -0.010 0.000 0.230 115 L C 1.062 177.762 176.870 -0.283 0.000 1.141 115 L CA 1.164 55.837 54.840 -0.277 0.000 0.877 115 L CB -0.373 41.436 42.059 -0.417 0.000 1.009 115 L HN 0.306 nan 8.230 nan 0.000 0.447 116 G N -0.157 108.459 108.800 -0.307 0.000 2.182 116 G HA2 -0.255 3.699 3.960 -0.010 0.000 0.248 116 G HA3 -0.255 3.699 3.960 -0.010 0.000 0.248 116 G C 0.062 174.828 174.900 -0.222 0.000 1.042 116 G CA 0.315 45.253 45.100 -0.270 0.000 0.775 116 G HN 0.288 nan 8.290 nan 0.000 0.501 117 L N -0.343 120.749 121.223 -0.219 0.000 2.354 117 L HA 0.570 4.904 4.340 -0.010 0.000 0.269 117 L C -0.642 176.198 176.870 -0.050 0.000 1.005 117 L CA -1.166 53.572 54.840 -0.170 0.000 0.819 117 L CB 1.964 43.857 42.059 -0.278 0.000 1.311 117 L HN 0.091 nan 8.230 nan 0.000 0.423 118 D N 2.369 122.766 120.400 -0.004 0.000 2.396 118 D HA 0.163 4.796 4.640 -0.010 0.000 0.225 118 D C 0.729 177.058 176.300 0.048 0.000 1.121 118 D CA -0.224 53.801 54.000 0.041 0.000 0.853 118 D CB 1.378 42.206 40.800 0.046 0.000 1.043 118 D HN 0.507 nan 8.370 nan 0.000 0.500 119 M N 3.026 122.656 119.600 0.049 0.000 2.144 119 M HA -0.186 4.288 4.480 -0.010 0.000 0.260 119 M C 1.350 177.694 176.300 0.073 0.000 1.067 119 M CA 1.627 56.967 55.300 0.067 0.000 1.095 119 M CB 0.182 32.815 32.600 0.055 0.000 1.365 119 M HN 0.420 nan 8.290 nan 0.000 0.406 120 E N -0.260 119.973 120.200 0.055 0.000 2.110 120 E HA -0.262 4.082 4.350 -0.010 0.000 0.193 120 E C 1.855 178.489 176.600 0.056 0.000 0.988 120 E CA 1.465 57.895 56.400 0.050 0.000 0.804 120 E CB -0.147 29.579 29.700 0.043 0.000 0.745 120 E HN 0.641 nan 8.360 nan 0.000 0.458 121 E N 0.348 120.585 120.200 0.061 0.000 2.106 121 E HA -0.200 4.144 4.350 -0.010 0.000 0.192 121 E C 1.862 178.504 176.600 0.070 0.000 0.984 121 E CA 0.620 57.057 56.400 0.061 0.000 0.806 121 E CB 0.175 29.912 29.700 0.062 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.458 122 L N 1.327 122.613 121.223 0.104 0.000 2.109 122 L HA -0.102 4.232 4.340 -0.010 0.000 0.207 122 L C 2.014 178.944 176.870 0.099 0.000 1.086 122 L CA 1.569 56.503 54.840 0.157 0.000 0.760 122 L CB -0.505 41.702 42.059 0.247 0.000 0.910 122 L HN 0.128 nan 8.230 nan 0.000 0.437 123 E N -0.654 119.594 120.200 0.080 0.000 2.204 123 E HA -0.177 4.167 4.350 -0.010 0.000 0.194 123 E C 1.698 178.262 176.600 -0.060 0.000 0.989 123 E CA 0.654 57.073 56.400 0.031 0.000 0.824 123 E CB -0.001 29.724 29.700 0.042 0.000 0.756 123 E HN 0.417 nan 8.360 nan 0.000 0.477 124 E N 0.367 120.548 120.200 -0.032 0.000 2.418 124 E HA -0.085 4.259 4.350 -0.010 0.000 0.197 124 E C 1.826 178.367 176.600 -0.098 0.000 1.026 124 E CA 0.493 56.874 56.400 -0.031 0.000 0.862 124 E CB 0.103 29.818 29.700 0.025 0.000 0.799 124 E HN 0.424 nan 8.360 nan 0.000 0.518 125 I N 0.679 121.128 120.570 -0.201 0.000 2.716 125 I HA -0.083 4.081 4.170 -0.010 0.000 0.259 125 I C 1.350 177.161 176.117 -0.511 0.000 1.172 125 I CA 0.132 61.249 61.300 -0.305 0.000 1.478 125 I CB 0.092 37.918 38.000 -0.290 0.000 1.104 125 I HN -0.015 nan 8.210 nan 0.000 0.439 126 E N 2.798 122.562 120.200 -0.728 0.000 2.415 126 E HA -0.047 4.297 4.350 -0.010 0.000 0.263 126 E C -0.216 176.287 176.600 -0.163 0.000 0.995 126 E CA -0.169 55.861 56.400 -0.618 0.000 0.915 126 E CB 0.645 30.111 29.700 -0.389 0.000 0.951 126 E HN 0.081 nan 8.360 nan 0.000 0.449 127 E N 3.321 123.521 120.200 -0.001 0.000 2.354 127 E HA 0.061 4.405 4.350 -0.010 0.000 0.269 127 E C -0.819 175.881 176.600 0.167 0.000 1.036 127 E CA -0.208 56.275 56.400 0.139 0.000 0.876 127 E CB 0.798 30.667 29.700 0.281 0.000 1.009 127 E HN 0.490 nan 8.360 nan 0.000 0.416 128 D N 0.651 121.132 120.400 0.136 0.000 2.390 128 D HA 0.198 4.832 4.640 -0.010 0.000 0.249 128 D C -0.581 175.773 176.300 0.090 0.000 1.144 128 D CA 0.010 54.072 54.000 0.103 0.000 0.880 128 D CB 0.706 41.564 40.800 0.098 0.000 1.182 128 D HN 0.373 nan 8.370 nan 0.000 0.451 129 A N 2.677 125.517 122.820 0.033 0.000 2.437 129 A HA 0.501 4.815 4.320 -0.010 0.000 0.303 129 A C 0.878 178.311 177.584 -0.251 0.000 1.324 129 A CA -0.345 51.544 52.037 -0.248 0.000 0.983 129 A CB 0.050 18.970 19.000 -0.133 0.000 1.142 129 A HN 0.519 nan 8.150 nan 0.000 0.541 130 G N 2.424 110.953 108.800 -0.452 0.000 4.464 130 G HA2 0.442 4.395 3.960 -0.010 0.000 0.297 130 G HA3 0.442 4.395 3.960 -0.010 0.000 0.297 130 G C 0.230 174.745 174.900 -0.642 0.000 1.342 130 G CA -0.311 44.467 45.100 -0.537 0.000 1.335 130 G HN 0.687 nan 8.290 nan 0.000 0.609 131 L N 1.418 122.362 121.223 -0.464 0.000 2.862 131 L HA 0.371 4.705 4.340 -0.010 0.000 0.240 131 L C 1.000 177.790 176.870 -0.134 0.000 1.283 131 L CA -0.164 54.572 54.840 -0.172 0.000 1.117 131 L CB -0.312 41.789 42.059 0.070 0.000 1.444 131 L HN 0.338 nan 8.230 nan 0.000 0.456 132 G N -1.270 107.243 108.800 -0.478 0.000 2.677 132 G HA2 0.200 4.154 3.960 -0.010 0.000 0.291 132 G HA3 0.200 4.154 3.960 -0.010 0.000 0.291 132 G C -0.085 174.564 174.900 -0.418 0.000 1.435 132 G CA -0.459 44.443 45.100 -0.330 0.000 0.826 132 G HN -0.086 nan 8.290 nan 0.000 0.491 133 N N -0.678 117.957 118.700 -0.108 0.000 2.402 133 N HA 0.182 4.916 4.740 -0.010 0.000 0.174 133 N C 1.194 176.780 175.510 0.126 0.000 1.027 133 N CA 1.357 54.395 53.050 -0.021 0.000 0.891 133 N CB 1.096 39.620 38.487 0.061 0.000 1.016 133 N HN 0.846 nan 8.380 nan 0.000 0.439 134 G N -0.675 108.255 108.800 0.217 0.000 2.649 134 G HA2 0.119 4.073 3.960 -0.010 0.000 0.078 134 G HA3 0.119 4.073 3.960 -0.010 0.000 0.078 134 G C 0.741 175.740 174.900 0.164 0.000 1.110 134 G CA 0.191 45.438 45.100 0.245 0.000 1.269 134 G HN 0.143 nan 8.290 nan 0.000 0.581 135 G N 0.281 109.130 108.800 0.083 0.000 2.440 135 G HA2 -0.001 3.953 3.960 -0.010 0.000 0.218 135 G HA3 -0.001 3.953 3.960 -0.010 0.000 0.218 135 G C 1.851 176.741 174.900 -0.017 0.000 1.154 135 G CA 1.883 46.994 45.100 0.019 0.000 0.767 135 G HN 0.793 nan 8.290 nan 0.000 0.552 136 L N 1.422 122.631 121.223 -0.023 0.000 2.027 136 L HA 0.179 4.513 4.340 -0.010 0.000 0.206 136 L C 2.761 179.571 176.870 -0.099 0.000 1.074 136 L CA 2.430 57.191 54.840 -0.132 0.000 0.745 136 L CB -0.967 41.006 42.059 -0.145 0.000 0.898 136 L HN 0.147 nan 8.230 nan 0.000 0.433 137 G N -1.182 107.621 108.800 0.005 0.000 2.403 137 G HA2 -0.229 3.725 3.960 -0.010 0.000 0.216 137 G HA3 -0.229 3.725 3.960 -0.010 0.000 0.216 137 G C 1.750 176.704 174.900 0.090 0.000 1.154 137 G CA 0.365 45.486 45.100 0.035 0.000 0.784 137 G HN 0.214 nan 8.290 nan 0.000 0.538 138 R N 0.184 120.751 120.500 0.113 0.000 2.092 138 R HA 0.079 4.413 4.340 -0.010 0.000 0.231 138 R C 2.440 178.731 176.300 -0.015 0.000 1.119 138 R CA 0.780 56.925 56.100 0.075 0.000 0.970 138 R CB -1.003 29.303 30.300 0.009 0.000 0.864 138 R HN 0.396 nan 8.270 nan 0.000 0.440 139 L N 0.659 121.801 121.223 -0.135 0.000 2.042 139 L HA -0.074 4.260 4.340 -0.010 0.000 0.210 139 L C 2.172 178.724 176.870 -0.530 0.000 1.076 139 L CA 2.248 56.860 54.840 -0.380 0.000 0.749 139 L CB -0.775 41.021 42.059 -0.439 0.000 0.893 139 L HN 0.185 nan 8.230 nan 0.000 0.432 140 A N -0.623 122.025 122.820 -0.287 0.000 1.933 140 A HA -0.112 4.202 4.320 -0.010 0.000 0.218 140 A C 2.437 180.062 177.584 0.068 0.000 1.175 140 A CA 1.784 53.723 52.037 -0.163 0.000 0.628 140 A CB -1.118 17.731 19.000 -0.250 0.000 0.814 140 A HN 0.576 nan 8.150 nan 0.000 0.444 141 A N -1.096 121.802 122.820 0.130 0.000 1.898 141 A HA -0.144 4.170 4.320 -0.010 0.000 0.216 141 A C 2.297 179.957 177.584 0.127 0.000 1.181 141 A CA 1.616 53.765 52.037 0.188 0.000 0.620 141 A CB -1.226 17.874 19.000 0.167 0.000 0.819 141 A HN 0.588 nan 8.150 nan 0.000 0.442 142 C N -1.476 117.894 119.300 0.116 0.000 2.440 142 C HA -0.044 4.410 4.460 -0.010 0.000 0.278 142 C C 2.417 177.565 174.990 0.264 0.000 1.295 142 C CA 0.535 59.660 59.018 0.179 0.000 1.738 142 C CB -1.591 26.275 27.740 0.211 0.000 1.987 142 C HN 0.605 nan 8.230 nan 0.000 0.492 143 F N 0.633 120.564 119.950 -0.033 0.000 2.134 143 F HA -0.076 4.444 4.527 -0.010 0.000 0.299 143 F C 2.104 177.842 175.800 -0.103 0.000 1.097 143 F CA 1.111 59.037 58.000 -0.123 0.000 1.264 143 F CB -1.371 37.410 39.000 -0.366 0.000 1.001 143 F HN 0.100 nan 8.300 nan 0.000 0.479 144 L N 0.249 121.549 121.223 0.128 0.000 2.046 144 L HA -0.232 4.102 4.340 -0.010 0.000 0.208 144 L C 2.166 179.049 176.870 0.022 0.000 1.077 144 L CA 1.960 56.832 54.840 0.053 0.000 0.747 144 L CB -1.354 40.744 42.059 0.065 0.000 0.896 144 L HN 0.110 nan 8.230 nan 0.000 0.432 145 D N -1.438 118.985 120.400 0.038 0.000 2.104 145 D HA -0.180 4.454 4.640 -0.010 0.000 0.194 145 D C 2.175 178.490 176.300 0.026 0.000 0.994 145 D CA 1.517 55.524 54.000 0.012 0.000 0.830 145 D CB 0.164 40.970 40.800 0.010 0.000 0.959 145 D HN 0.189 nan 8.370 nan 0.000 0.452 146 S N -0.768 114.965 115.700 0.053 0.000 2.383 146 S HA -0.101 4.363 4.470 -0.010 0.000 0.227 146 S C 1.981 176.593 174.600 0.020 0.000 1.026 146 S CA 0.856 59.080 58.200 0.039 0.000 0.981 146 S CB -0.212 63.017 63.200 0.048 0.000 0.818 146 S HN 0.350 nan 8.310 nan 0.000 0.472 147 M N 0.881 120.486 119.600 0.008 0.000 2.175 147 M HA -0.069 4.405 4.480 -0.010 0.000 0.264 147 M C 2.424 178.723 176.300 -0.002 0.000 1.063 147 M CA 1.307 56.608 55.300 0.001 0.000 1.119 147 M CB -0.475 32.105 32.600 -0.032 0.000 1.377 147 M HN 0.393 nan 8.290 nan 0.000 0.415 148 A N -0.248 122.568 122.820 -0.007 0.000 1.897 148 A HA -0.104 4.210 4.320 -0.010 0.000 0.215 148 A C 2.158 179.753 177.584 0.018 0.000 1.181 148 A CA 1.900 53.934 52.037 -0.004 0.000 0.620 148 A CB -1.017 17.964 19.000 -0.032 0.000 0.821 148 A HN 0.396 nan 8.150 nan 0.000 0.443 149 T N 0.290 114.860 114.554 0.028 0.000 2.915 149 T HA 0.017 4.361 4.350 -0.010 0.000 0.269 149 T C 1.242 175.970 174.700 0.046 0.000 1.071 149 T CA 0.986 63.117 62.100 0.051 0.000 1.132 149 T CB -0.255 68.653 68.868 0.065 0.000 0.878 149 T HN 0.324 nan 8.240 nan 0.000 0.479 150 L N 0.538 121.785 121.223 0.039 0.000 2.685 150 L HA 0.306 4.640 4.340 -0.010 0.000 0.233 150 L C 1.577 178.475 176.870 0.048 0.000 1.173 150 L CA -0.157 54.708 54.840 0.042 0.000 0.961 150 L CB -0.423 41.661 42.059 0.041 0.000 1.217 150 L HN 0.374 nan 8.230 nan 0.000 0.478 151 G N 1.231 110.062 108.800 0.052 0.000 2.283 151 G HA2 -0.291 3.663 3.960 -0.010 0.000 0.280 151 G HA3 -0.291 3.663 3.960 -0.010 0.000 0.280 151 G C 0.106 175.050 174.900 0.073 0.000 1.029 151 G CA 0.148 45.295 45.100 0.079 0.000 0.840 151 G HN 0.305 nan 8.290 nan 0.000 0.505 152 L N -0.235 121.001 121.223 0.021 0.000 2.334 152 L HA 0.613 4.947 4.340 -0.010 0.000 0.277 152 L C 1.170 177.912 176.870 -0.214 0.000 1.075 152 L CA -0.419 54.384 54.840 -0.062 0.000 0.804 152 L CB 1.675 43.712 42.059 -0.037 0.000 1.174 152 L HN 0.244 nan 8.230 nan 0.000 0.438 153 A N 3.123 125.670 122.820 -0.456 0.000 3.037 153 A HA 0.564 4.878 4.320 -0.010 0.000 0.272 153 A C 0.309 177.537 177.584 -0.593 0.000 1.723 153 A CA -0.164 51.308 52.037 -0.942 0.000 1.413 153 A CB -0.635 17.687 19.000 -1.131 0.000 1.112 153 A HN 0.697 nan 8.150 nan 0.000 0.606 154 A N 1.299 123.817 122.820 -0.503 0.000 2.340 154 A HA 0.811 5.125 4.320 -0.010 0.000 0.331 154 A C -1.007 176.288 177.584 -0.480 0.000 1.140 154 A CA -0.470 51.330 52.037 -0.395 0.000 0.801 154 A CB 0.777 19.617 19.000 -0.266 0.000 1.234 154 A HN 0.616 nan 8.150 nan 0.000 0.469 155 Y N 0.106 120.329 120.300 -0.130 0.000 2.373 155 Y HA 0.533 5.077 4.550 -0.010 0.000 0.336 155 Y C 0.809 176.758 175.900 0.082 0.000 0.979 155 Y CA -0.537 57.545 58.100 -0.029 0.000 1.080 155 Y CB 2.404 40.917 38.460 0.088 0.000 1.190 155 Y HN 0.843 nan 8.280 nan 0.000 0.446 156 G N 2.135 110.983 108.800 0.078 0.000 2.338 156 G HA2 0.448 4.402 3.960 -0.010 0.000 0.298 156 G HA3 0.448 4.402 3.960 -0.010 0.000 0.298 156 G C -1.764 173.101 174.900 -0.058 0.000 1.140 156 G CA -0.243 44.942 45.100 0.142 0.000 0.860 156 G HN 0.508 nan 8.290 nan 0.000 0.470 157 Y N 1.043 121.554 120.300 0.351 0.000 2.350 157 Y HA 0.631 5.175 4.550 -0.010 0.000 0.338 157 Y C 0.749 176.931 175.900 0.469 0.000 0.961 157 Y CA 0.176 58.448 58.100 0.286 0.000 1.100 157 Y CB 2.610 41.269 38.460 0.331 0.000 1.179 157 Y HN 0.871 nan 8.280 nan 0.000 0.454 158 G N 2.357 111.449 108.800 0.486 0.000 2.753 158 G HA2 0.599 4.553 3.960 -0.010 0.000 0.303 158 G HA3 0.599 4.553 3.960 -0.010 0.000 0.303 158 G C -1.735 173.383 174.900 0.364 0.000 1.242 158 G CA -0.830 44.592 45.100 0.536 0.000 0.810 158 G HN 0.421 nan 8.290 nan 0.000 0.515 159 I N 0.508 121.188 120.570 0.184 0.000 2.441 159 I HA 0.438 4.602 4.170 -0.010 0.000 0.295 159 I C 0.246 176.251 176.117 -0.186 0.000 0.994 159 I CA -0.737 60.562 61.300 -0.001 0.000 1.144 159 I CB 2.229 40.045 38.000 -0.308 0.000 1.314 159 I HN 0.381 nan 8.210 nan 0.000 0.445 160 R N 6.014 126.517 120.500 0.006 0.000 2.419 160 R HA 0.247 4.581 4.340 -0.010 0.000 0.305 160 R C -1.305 175.052 176.300 0.094 0.000 1.242 160 R CA -0.405 55.736 56.100 0.069 0.000 1.105 160 R CB 0.005 30.326 30.300 0.035 0.000 1.116 160 R HN 0.388 nan 8.270 nan 0.000 0.523 161 Y N 1.572 122.031 120.300 0.266 0.000 2.425 161 Y HA -0.047 4.497 4.550 -0.010 0.000 0.331 161 Y C 1.539 177.621 175.900 0.303 0.000 1.157 161 Y CA -0.034 58.212 58.100 0.243 0.000 1.372 161 Y CB 0.917 39.492 38.460 0.192 0.000 1.253 161 Y HN 0.600 nan 8.280 nan 0.000 0.536 162 E N 1.870 122.263 120.200 0.321 0.000 2.152 162 E HA -0.038 4.306 4.350 -0.010 0.000 0.192 162 E C -0.781 175.693 176.600 -0.210 0.000 0.983 162 E CA 0.663 57.047 56.400 -0.027 0.000 0.818 162 E CB 0.204 29.807 29.700 -0.161 0.000 0.758 162 E HN 0.495 nan 8.360 nan 0.000 0.467 163 F N -0.445 119.724 119.950 0.365 0.000 2.507 163 F HA 0.426 4.947 4.527 -0.010 0.000 0.328 163 F C 0.726 176.602 175.800 0.127 0.000 1.136 163 F CA -0.914 57.253 58.000 0.278 0.000 0.930 163 F CB 1.861 40.956 39.000 0.158 0.000 1.166 163 F HN -0.129 nan 8.300 nan 0.000 0.436 164 G N 1.790 110.670 108.800 0.134 0.000 2.582 164 G HA2 0.357 4.311 3.960 -0.010 0.000 0.232 164 G HA3 0.357 4.311 3.960 -0.010 0.000 0.232 164 G C -0.532 174.306 174.900 -0.103 0.000 1.458 164 G CA -0.688 44.332 45.100 -0.133 0.000 1.062 164 G HN 0.540 nan 8.290 nan 0.000 0.566 165 I N 0.970 121.394 120.570 -0.244 0.000 2.752 165 I HA 0.205 4.369 4.170 -0.010 0.000 0.289 165 I C 0.482 176.494 176.117 -0.176 0.000 1.197 165 I CA -1.154 59.992 61.300 -0.258 0.000 1.432 165 I CB -0.304 37.450 38.000 -0.410 0.000 1.359 165 I HN 0.319 nan 8.210 nan 0.000 0.571 166 F N 6.481 126.439 119.950 0.013 0.000 2.595 166 F HA 0.282 4.803 4.527 -0.010 0.000 0.359 166 F C 0.483 176.332 175.800 0.082 0.000 1.147 166 F CA -0.592 57.440 58.000 0.054 0.000 1.341 166 F CB -0.297 38.724 39.000 0.034 0.000 1.104 166 F HN 0.425 nan 8.300 nan 0.000 0.603 167 N N 2.610 121.484 118.700 0.289 0.000 2.497 167 N HA 0.044 4.778 4.740 -0.010 0.000 0.271 167 N C -0.789 174.956 175.510 0.391 0.000 1.142 167 N CA -0.251 52.940 53.050 0.236 0.000 0.965 167 N CB 1.165 39.784 38.487 0.219 0.000 1.077 167 N HN 0.767 nan 8.380 nan 0.000 0.462 168 Q N 2.460 122.459 119.800 0.331 0.000 2.274 168 Q HA 0.182 4.516 4.340 -0.010 0.000 0.256 168 Q C -0.977 175.193 176.000 0.283 0.000 0.927 168 Q CA -0.389 55.651 55.803 0.394 0.000 0.939 168 Q CB 0.747 29.722 28.738 0.396 0.000 1.201 168 Q HN 0.230 nan 8.270 nan 0.000 0.426 169 K N 4.193 124.735 120.400 0.236 0.000 2.259 169 K HA 0.471 4.785 4.320 -0.010 0.000 0.252 169 K C -0.728 175.965 176.600 0.154 0.000 0.936 169 K CA -0.876 55.524 56.287 0.187 0.000 0.810 169 K CB 1.608 34.199 32.500 0.151 0.000 1.143 169 K HN 0.634 nan 8.250 nan 0.000 0.427 170 I N 2.779 123.430 120.570 0.135 0.000 2.328 170 I HA 0.204 4.368 4.170 -0.010 0.000 0.287 170 I C -0.310 175.855 176.117 0.081 0.000 1.012 170 I CA -0.635 60.712 61.300 0.077 0.000 1.195 170 I CB 0.597 38.621 38.000 0.040 0.000 1.350 170 I HN 0.399 nan 8.210 nan 0.000 0.464 171 C N 3.968 123.328 119.300 0.099 0.000 2.319 171 C HA 0.598 5.051 4.460 -0.010 0.000 0.323 171 C C 1.220 176.305 174.990 0.159 0.000 1.277 171 C CA -0.471 58.613 59.018 0.110 0.000 1.517 171 C CB 0.536 28.337 27.740 0.101 0.000 2.206 171 C HN 1.081 nan 8.230 nan 0.000 0.486 172 G N 2.365 111.233 108.800 0.113 0.000 2.225 172 G HA2 0.105 4.059 3.960 -0.010 0.000 0.267 172 G HA3 0.105 4.059 3.960 -0.010 0.000 0.267 172 G C 1.093 176.005 174.900 0.020 0.000 1.024 172 G CA 0.976 46.153 45.100 0.129 0.000 0.784 172 G HN 2.397 nan 8.290 nan 0.000 0.507 173 G N -2.941 105.816 108.800 -0.072 0.000 2.179 173 G HA2 -0.292 3.662 3.960 -0.010 0.000 0.260 173 G HA3 -0.292 3.662 3.960 -0.010 0.000 0.260 173 G C 0.343 175.004 174.900 -0.397 0.000 0.977 173 G CA 0.666 45.603 45.100 -0.273 0.000 0.641 173 G HN 1.196 nan 8.290 nan 0.000 0.533 174 W N 0.780 122.017 121.300 -0.104 0.000 2.512 174 W HA 0.664 5.318 4.660 -0.010 0.000 0.335 174 W C 0.604 177.060 176.519 -0.105 0.000 1.088 174 W CA -0.902 56.375 57.345 -0.113 0.000 1.236 174 W CB 0.878 30.288 29.460 -0.082 0.000 1.307 174 W HN 0.243 nan 8.180 nan 0.000 0.567 175 Q N 3.082 122.972 119.800 0.149 0.000 2.304 175 Q HA 0.272 4.606 4.340 -0.010 0.000 0.260 175 Q C -0.648 175.401 176.000 0.081 0.000 0.965 175 Q CA 0.122 55.979 55.803 0.090 0.000 0.898 175 Q CB 0.581 29.366 28.738 0.077 0.000 1.196 175 Q HN 0.317 nan 8.270 nan 0.000 0.402 176 M N 3.197 122.842 119.600 0.074 0.000 2.393 176 M HA 0.384 4.858 4.480 -0.010 0.000 0.316 176 M C -1.184 175.124 176.300 0.013 0.000 1.087 176 M CA -0.677 54.637 55.300 0.023 0.000 0.937 176 M CB 1.808 34.437 32.600 0.047 0.000 1.668 176 M HN 0.615 nan 8.290 nan 0.000 0.438 177 E N 1.792 121.926 120.200 -0.110 0.000 2.204 177 E HA 0.529 4.873 4.350 -0.010 0.000 0.276 177 E C -0.656 175.932 176.600 -0.021 0.000 0.974 177 E CA -0.598 55.702 56.400 -0.166 0.000 0.815 177 E CB 1.703 31.016 29.700 -0.646 0.000 1.119 177 E HN 0.534 nan 8.360 nan 0.000 0.393 178 E N 0.816 121.085 120.200 0.116 0.000 2.331 178 E HA 0.670 5.014 4.350 -0.010 0.000 0.275 178 E C -1.175 175.519 176.600 0.156 0.000 0.895 178 E CA -1.416 55.044 56.400 0.100 0.000 0.753 178 E CB 1.406 31.174 29.700 0.113 0.000 1.216 178 E HN 0.490 nan 8.360 nan 0.000 0.434 179 A N 2.626 125.495 122.820 0.082 0.000 2.567 179 A HA 0.018 4.332 4.320 -0.010 0.000 0.240 179 A C 0.034 177.798 177.584 0.300 0.000 1.053 179 A CA 0.494 52.596 52.037 0.108 0.000 0.755 179 A CB -0.053 18.874 19.000 -0.123 0.000 0.978 179 A HN 0.688 nan 8.150 nan 0.000 0.507 180 D N 1.829 122.476 120.400 0.412 0.000 2.522 180 D HA 0.191 4.825 4.640 -0.010 0.000 0.218 180 D C -0.354 176.275 176.300 0.548 0.000 1.149 180 D CA -0.192 54.048 54.000 0.399 0.000 0.981 180 D CB 0.251 41.213 40.800 0.270 0.000 1.041 180 D HN 0.406 nan 8.370 nan 0.000 0.518 181 D N 3.569 124.253 120.400 0.472 0.000 2.801 181 D HA -0.029 4.605 4.640 -0.010 0.000 0.232 181 D C 1.227 177.653 176.300 0.211 0.000 1.128 181 D CA -0.520 53.658 54.000 0.296 0.000 1.003 181 D CB -0.194 40.785 40.800 0.298 0.000 1.110 181 D HN 0.524 nan 8.370 nan 0.000 0.477 182 W N 1.701 123.024 121.300 0.038 0.000 2.525 182 W HA -0.050 4.603 4.660 -0.010 0.000 0.259 182 W C 0.069 176.631 176.519 0.073 0.000 1.253 182 W CA 0.151 57.542 57.345 0.076 0.000 1.262 182 W CB -0.756 28.750 29.460 0.076 0.000 1.122 182 W HN 0.202 nan 8.180 nan 0.000 0.607 183 L N 0.872 121.727 121.223 -0.614 0.000 2.607 183 L HA 0.176 4.510 4.340 -0.010 0.000 0.228 183 L C 2.730 179.433 176.870 -0.278 0.000 1.123 183 L CA -0.054 54.404 54.840 -0.636 0.000 0.890 183 L CB -0.622 40.936 42.059 -0.836 0.000 1.103 183 L HN -0.103 nan 8.230 nan 0.000 0.468 184 R N 0.885 121.279 120.500 -0.175 0.000 2.136 184 R HA -0.254 4.080 4.340 -0.010 0.000 0.242 184 R C 1.428 177.563 176.300 -0.276 0.000 1.131 184 R CA 2.289 58.254 56.100 -0.225 0.000 0.937 184 R CB -0.313 29.839 30.300 -0.247 0.000 0.863 184 R HN 0.286 nan 8.270 nan 0.000 0.435 185 Y N -0.215 120.105 120.300 0.032 0.000 2.461 185 Y HA 0.303 4.847 4.550 -0.010 0.000 0.277 185 Y C 0.841 176.749 175.900 0.014 0.000 1.182 185 Y CA 0.509 58.639 58.100 0.050 0.000 1.276 185 Y CB 0.632 39.229 38.460 0.229 0.000 1.087 185 Y HN 0.516 nan 8.280 nan 0.000 0.519 186 G N 1.261 110.110 108.800 0.081 0.000 2.690 186 G HA2 -0.231 3.723 3.960 -0.010 0.000 0.686 186 G HA3 -0.231 3.723 3.960 -0.010 0.000 0.686 186 G C -1.198 173.775 174.900 0.123 0.000 1.277 186 G CA -0.817 44.300 45.100 0.028 0.000 0.799 186 G HN 0.267 nan 8.290 nan 0.000 0.613 187 N N 1.349 120.062 118.700 0.022 0.000 2.569 187 N HA 0.564 5.298 4.740 -0.010 0.000 0.254 187 N C -0.506 175.000 175.510 -0.007 0.000 1.004 187 N CA -1.920 51.157 53.050 0.046 0.000 0.904 187 N CB 1.994 40.446 38.487 -0.058 0.000 1.165 187 N HN 0.262 nan 8.380 nan 0.000 0.513 188 P HA -0.019 nan 4.420 nan 0.000 0.226 188 P C 0.583 177.543 177.300 -0.567 0.000 1.153 188 P CA 0.811 63.595 63.100 -0.527 0.000 0.777 188 P CB 0.111 31.217 31.700 -0.989 0.000 0.794 189 W N 1.887 123.186 121.300 -0.002 0.000 2.658 189 W HA 0.055 4.709 4.660 -0.010 0.000 0.263 189 W C 1.323 177.872 176.519 0.050 0.000 1.274 189 W CA -0.359 56.982 57.345 -0.006 0.000 1.343 189 W CB -0.211 29.249 29.460 -0.000 0.000 1.106 189 W HN 0.033 nan 8.180 nan 0.000 0.615 190 E N 1.592 121.953 120.200 0.269 0.000 2.283 190 E HA 0.372 4.716 4.350 -0.010 0.000 0.267 190 E C -0.629 176.133 176.600 0.270 0.000 1.045 190 E CA -0.815 55.756 56.400 0.286 0.000 0.884 190 E CB 1.373 31.254 29.700 0.301 0.000 1.106 190 E HN -0.325 nan 8.360 nan 0.000 0.408 191 K N 1.375 121.947 120.400 0.288 0.000 2.579 191 K HA 0.416 4.730 4.320 -0.010 0.000 0.250 191 K C -1.263 175.360 176.600 0.039 0.000 0.952 191 K CA -0.446 55.948 56.287 0.178 0.000 0.857 191 K CB 1.533 34.144 32.500 0.185 0.000 1.123 191 K HN 0.675 nan 8.250 nan 0.000 0.433 192 A N 3.996 126.762 122.820 -0.090 0.000 2.498 192 A HA 0.373 4.687 4.320 -0.010 0.000 0.239 192 A C -0.220 177.212 177.584 -0.253 0.000 1.068 192 A CA -0.119 51.622 52.037 -0.494 0.000 0.766 192 A CB 0.232 18.928 19.000 -0.506 0.000 1.003 192 A HN 0.662 nan 8.150 nan 0.000 0.497 193 R N 3.030 123.382 120.500 -0.247 0.000 2.886 193 R HA 0.194 4.528 4.340 -0.010 0.000 0.306 193 R C -2.265 174.065 176.300 0.051 0.000 1.300 193 R CA -1.733 54.373 56.100 0.011 0.000 1.441 193 R CB 0.534 30.919 30.300 0.141 0.000 1.328 193 R HN 0.606 nan 8.270 nan 0.000 0.629 194 P HA -0.224 nan 4.420 nan 0.000 0.218 194 P C 0.858 178.152 177.300 -0.011 0.000 1.146 194 P CA 1.299 64.388 63.100 -0.019 0.000 0.820 194 P CB 0.356 32.031 31.700 -0.042 0.000 0.778 195 E N -0.273 119.878 120.200 -0.082 0.000 2.338 195 E HA -0.142 4.201 4.350 -0.010 0.000 0.197 195 E C 0.900 177.292 176.600 -0.347 0.000 1.007 195 E CA 0.861 57.111 56.400 -0.250 0.000 0.849 195 E CB -0.951 28.501 29.700 -0.414 0.000 0.774 195 E HN 0.318 nan 8.360 nan 0.000 0.506 196 F N 1.821 121.782 119.950 0.019 0.000 2.639 196 F HA 0.222 4.743 4.527 -0.010 0.000 0.300 196 F C 0.554 176.446 175.800 0.152 0.000 1.109 196 F CA -0.265 57.778 58.000 0.072 0.000 1.335 196 F CB 0.377 39.413 39.000 0.061 0.000 1.014 196 F HN -0.284 nan 8.300 nan 0.000 0.537 197 T N 2.781 117.474 114.554 0.231 0.000 2.928 197 T HA 0.252 4.596 4.350 -0.010 0.000 0.305 197 T C -0.240 174.554 174.700 0.156 0.000 1.035 197 T CA 0.375 62.609 62.100 0.224 0.000 1.145 197 T CB 0.616 69.567 68.868 0.138 0.000 0.963 197 T HN -0.169 nan 8.240 nan 0.000 0.545 198 L N 5.514 126.799 121.223 0.104 0.000 2.370 198 L HA 0.574 4.908 4.340 -0.010 0.000 0.266 198 L C -2.213 174.604 176.870 -0.088 0.000 1.002 198 L CA -2.490 52.337 54.840 -0.022 0.000 0.818 198 L CB 2.034 44.014 42.059 -0.131 0.000 1.325 198 L HN 0.388 nan 8.230 nan 0.000 0.418 199 P HA 0.371 nan 4.420 nan 0.000 0.288 199 P C -1.239 175.924 177.300 -0.228 0.000 1.267 199 P CA -0.395 62.616 63.100 -0.150 0.000 0.815 199 P CB 1.966 33.581 31.700 -0.141 0.000 0.989 200 V N 4.026 123.785 119.914 -0.259 0.000 2.604 200 V HA 0.336 4.450 4.120 -0.010 0.000 0.305 200 V C 0.201 176.063 176.094 -0.386 0.000 1.043 200 V CA -0.613 61.526 62.300 -0.269 0.000 0.888 200 V CB 1.524 33.247 31.823 -0.166 0.000 0.995 200 V HN 0.611 nan 8.190 nan 0.000 0.429 201 H N 3.751 122.664 119.070 -0.262 0.000 2.499 201 H HA 0.628 5.178 4.556 -0.010 0.000 0.340 201 H C -1.320 173.723 175.328 -0.475 0.000 1.148 201 H CA -0.181 55.635 56.048 -0.387 0.000 1.215 201 H CB 1.988 31.278 29.762 -0.788 0.000 1.529 201 H HN 0.475 nan 8.280 nan 0.000 0.510 202 F N 0.197 120.191 119.950 0.073 0.000 2.613 202 F HA 0.205 4.726 4.527 -0.010 0.000 0.314 202 F C -0.278 175.610 175.800 0.147 0.000 1.075 202 F CA -0.542 57.492 58.000 0.058 0.000 0.945 202 F CB 1.086 40.005 39.000 -0.134 0.000 1.310 202 F HN 0.548 nan 8.300 nan 0.000 0.467 203 Y N 0.230 120.830 120.300 0.500 0.000 2.896 203 Y HA -0.013 4.531 4.550 -0.010 0.000 0.466 203 Y C 1.360 177.517 175.900 0.429 0.000 1.197 203 Y CA 0.679 58.995 58.100 0.360 0.000 2.513 203 Y CB -1.921 36.682 38.460 0.237 0.000 1.232 203 Y HN 1.305 nan 8.280 nan 0.000 0.632 204 G N 0.699 109.780 108.800 0.468 0.000 2.593 204 G HA2 0.105 4.059 3.960 -0.010 0.000 0.237 204 G HA3 0.105 4.059 3.960 -0.010 0.000 0.237 204 G C -0.538 174.580 174.900 0.364 0.000 1.312 204 G CA 0.945 46.241 45.100 0.326 0.000 0.896 204 G HN 1.367 nan 8.290 nan 0.000 0.574 205 R N -2.555 118.156 120.500 0.352 0.000 2.752 205 R HA 0.698 5.032 4.340 -0.010 0.000 0.271 205 R C -1.395 175.045 176.300 0.232 0.000 1.026 205 R CA -0.979 55.268 56.100 0.245 0.000 0.901 205 R CB 1.308 31.695 30.300 0.146 0.000 1.243 205 R HN 0.883 nan 8.270 nan 0.000 0.463 206 V N 0.912 120.873 119.914 0.078 0.000 2.394 206 V HA 0.346 4.460 4.120 -0.010 0.000 0.282 206 V C -0.174 175.841 176.094 -0.132 0.000 1.031 206 V CA -0.483 61.785 62.300 -0.053 0.000 0.881 206 V CB 1.321 33.039 31.823 -0.176 0.000 0.982 206 V HN 0.695 nan 8.190 nan 0.000 0.451 207 E N 2.937 123.043 120.200 -0.157 0.000 2.158 207 E HA 0.394 4.738 4.350 -0.010 0.000 0.271 207 E C -1.059 175.402 176.600 -0.231 0.000 0.911 207 E CA -0.720 55.605 56.400 -0.124 0.000 0.767 207 E CB 0.910 30.594 29.700 -0.027 0.000 1.120 207 E HN 0.679 nan 8.360 nan 0.000 0.405 208 H N 2.827 121.913 119.070 0.027 0.000 2.641 208 H HA 0.171 4.721 4.556 -0.010 0.000 0.295 208 H C 0.231 175.569 175.328 0.016 0.000 1.070 208 H CA -0.193 55.866 56.048 0.018 0.000 1.257 208 H CB 0.834 30.602 29.762 0.010 0.000 1.393 208 H HN 0.561 nan 8.280 nan 0.000 0.464 209 T N -0.608 114.009 114.554 0.104 0.000 2.892 209 T HA 0.220 4.564 4.350 -0.010 0.000 0.280 209 T C 1.591 176.329 174.700 0.064 0.000 1.004 209 T CA -0.594 61.547 62.100 0.068 0.000 0.950 209 T CB 0.970 69.863 68.868 0.041 0.000 1.309 209 T HN 0.321 nan 8.240 nan 0.000 0.592 210 S N 0.323 116.050 115.700 0.044 0.000 2.392 210 S HA -0.134 4.330 4.470 -0.010 0.000 0.225 210 S C 0.945 175.567 174.600 0.037 0.000 1.041 210 S CA 1.408 59.629 58.200 0.035 0.000 1.100 210 S CB -0.557 62.659 63.200 0.027 0.000 1.029 210 S HN 0.743 nan 8.310 nan 0.000 0.424 211 Q N 0.512 120.334 119.800 0.036 0.000 2.509 211 Q HA 0.547 4.881 4.340 -0.010 0.000 0.236 211 Q C 0.064 176.090 176.000 0.043 0.000 1.073 211 Q CA 0.422 56.248 55.803 0.037 0.000 0.867 211 Q CB 0.611 29.367 28.738 0.030 0.000 1.181 211 Q HN 0.568 nan 8.270 nan 0.000 0.526 212 G N 1.446 110.281 108.800 0.059 0.000 2.730 212 G HA2 0.107 4.061 3.960 -0.010 0.000 0.686 212 G HA3 0.107 4.061 3.960 -0.010 0.000 0.686 212 G C -0.808 174.137 174.900 0.076 0.000 1.343 212 G CA -0.636 44.505 45.100 0.068 0.000 0.826 212 G HN 0.785 nan 8.290 nan 0.000 0.582 213 A N 0.635 123.495 122.820 0.066 0.000 2.293 213 A HA 0.837 5.151 4.320 -0.010 0.000 0.302 213 A C 0.377 177.934 177.584 -0.044 0.000 1.119 213 A CA -0.093 51.926 52.037 -0.030 0.000 0.823 213 A CB 0.924 19.877 19.000 -0.080 0.000 1.097 213 A HN 0.819 nan 8.150 nan 0.000 0.491 214 K N 0.670 121.028 120.400 -0.070 0.000 2.378 214 K HA 0.250 4.564 4.320 -0.010 0.000 0.252 214 K C -1.775 174.866 176.600 0.068 0.000 0.931 214 K CA -0.367 55.920 56.287 0.001 0.000 0.794 214 K CB 2.234 34.735 32.500 0.001 0.000 1.181 214 K HN 0.701 nan 8.250 nan 0.000 0.425 215 W N 5.284 126.509 121.300 -0.125 0.000 2.308 215 W HA 0.356 5.010 4.660 -0.010 0.000 0.311 215 W C -0.713 175.750 176.519 -0.093 0.000 1.088 215 W CA -0.824 56.454 57.345 -0.112 0.000 1.309 215 W CB 0.205 29.588 29.460 -0.128 0.000 1.229 215 W HN 0.357 nan 8.180 nan 0.000 0.427 216 V N 2.802 122.774 119.914 0.097 0.000 3.158 216 V HA 0.609 4.723 4.120 -0.010 0.000 0.315 216 V C -0.040 176.037 176.094 -0.029 0.000 1.148 216 V CA -0.868 61.410 62.300 -0.037 0.000 1.042 216 V CB 1.950 33.777 31.823 0.008 0.000 1.101 216 V HN 0.467 nan 8.190 nan 0.000 0.448 217 D N 0.266 120.650 120.400 -0.027 0.000 2.772 217 D HA -0.143 4.491 4.640 -0.010 0.000 0.233 217 D C 0.557 176.870 176.300 0.023 0.000 1.143 217 D CA 1.492 55.500 54.000 0.013 0.000 0.700 217 D CB -1.604 39.225 40.800 0.048 0.000 1.076 217 D HN 1.301 nan 8.370 nan 0.000 0.430 218 T N -2.814 111.705 114.554 -0.058 0.000 2.899 218 T HA 0.476 4.820 4.350 -0.010 0.000 0.284 218 T C 0.407 175.171 174.700 0.107 0.000 1.004 218 T CA -0.707 61.375 62.100 -0.030 0.000 1.043 218 T CB 2.093 70.766 68.868 -0.326 0.000 1.013 218 T HN 0.030 nan 8.240 nan 0.000 0.518 219 Q N 0.775 120.709 119.800 0.223 0.000 2.257 219 Q HA 0.564 4.898 4.340 -0.010 0.000 0.255 219 Q C -0.940 175.189 176.000 0.215 0.000 0.920 219 Q CA -0.894 55.069 55.803 0.268 0.000 0.927 219 Q CB 1.974 30.958 28.738 0.410 0.000 1.229 219 Q HN 0.517 nan 8.270 nan 0.000 0.433 220 V N 3.045 123.041 119.914 0.138 0.000 2.483 220 V HA 0.427 4.541 4.120 -0.010 0.000 0.295 220 V C -0.285 175.852 176.094 0.072 0.000 1.035 220 V CA -0.631 61.658 62.300 -0.018 0.000 0.896 220 V CB 1.770 33.514 31.823 -0.131 0.000 0.986 220 V HN 0.489 nan 8.190 nan 0.000 0.447 221 V N 5.809 125.770 119.914 0.078 0.000 2.588 221 V HA 0.473 4.587 4.120 -0.010 0.000 0.304 221 V C -0.221 175.941 176.094 0.113 0.000 1.042 221 V CA -0.606 61.758 62.300 0.107 0.000 0.877 221 V CB 1.955 33.923 31.823 0.242 0.000 0.996 221 V HN 0.635 nan 8.190 nan 0.000 0.425 222 L N 3.691 124.972 121.223 0.097 0.000 2.350 222 L HA 0.728 5.062 4.340 -0.010 0.000 0.275 222 L C 0.473 177.504 176.870 0.268 0.000 1.099 222 L CA -0.331 54.580 54.840 0.118 0.000 0.808 222 L CB 1.356 43.466 42.059 0.084 0.000 1.149 222 L HN 0.752 nan 8.230 nan 0.000 0.442 223 A N 5.184 128.115 122.820 0.184 0.000 2.267 223 A HA 0.576 4.890 4.320 -0.010 0.000 0.315 223 A C -0.466 177.378 177.584 0.433 0.000 1.297 223 A CA -0.473 51.709 52.037 0.241 0.000 0.865 223 A CB 0.903 19.599 19.000 -0.505 0.000 1.165 223 A HN 0.791 nan 8.150 nan 0.000 0.513 224 M N 6.259 126.174 119.600 0.524 0.000 2.129 224 M HA 0.438 4.912 4.480 -0.010 0.000 0.348 224 M C -2.565 174.001 176.300 0.443 0.000 1.116 224 M CA -2.115 53.437 55.300 0.419 0.000 1.022 224 M CB 2.037 34.813 32.600 0.292 0.000 1.599 224 M HN 0.383 nan 8.290 nan 0.000 0.449 225 P HA 0.251 nan 4.420 nan 0.000 0.288 225 P C -1.960 175.234 177.300 -0.176 0.000 1.267 225 P CA -0.153 62.829 63.100 -0.197 0.000 0.815 225 P CB 0.746 32.065 31.700 -0.635 0.000 0.989 226 Y N 0.618 120.831 120.300 -0.146 0.000 2.331 226 Y HA 0.307 4.851 4.550 -0.010 0.000 0.334 226 Y C 0.209 176.070 175.900 -0.064 0.000 0.960 226 Y CA -0.290 57.786 58.100 -0.039 0.000 1.130 226 Y CB 1.376 39.851 38.460 0.025 0.000 1.164 226 Y HN 0.215 nan 8.280 nan 0.000 0.458 227 D N 2.035 122.506 120.400 0.119 0.000 2.198 227 D HA 0.404 5.038 4.640 -0.010 0.000 0.245 227 D C -0.566 175.935 176.300 0.336 0.000 1.079 227 D CA -0.186 53.924 54.000 0.183 0.000 0.854 227 D CB 1.721 42.642 40.800 0.202 0.000 1.148 227 D HN 0.370 nan 8.370 nan 0.000 0.456 228 T N 3.190 117.855 114.554 0.185 0.000 2.824 228 T HA 0.462 4.806 4.350 -0.010 0.000 0.282 228 T C -2.528 172.022 174.700 -0.251 0.000 0.993 228 T CA -1.459 60.662 62.100 0.035 0.000 0.967 228 T CB 2.110 70.989 68.868 0.019 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.314 nan 4.420 nan 0.000 0.275 229 P C -1.014 175.948 177.300 -0.564 0.000 1.227 229 P CA -0.393 62.022 63.100 -1.142 0.000 0.781 229 P CB 0.889 31.642 31.700 -1.579 0.000 0.906 230 V N 5.394 125.040 119.914 -0.447 0.000 2.305 230 V HA 0.256 4.370 4.120 -0.010 0.000 0.275 230 V C -1.986 173.970 176.094 -0.230 0.000 1.020 230 V CA -1.940 60.196 62.300 -0.275 0.000 0.811 230 V CB 1.343 33.054 31.823 -0.186 0.000 1.031 230 V HN 0.554 nan 8.190 nan 0.000 0.439 231 P HA 0.253 nan 4.420 nan 0.000 0.280 231 P C 0.355 177.602 177.300 -0.089 0.000 1.244 231 P CA 0.343 63.350 63.100 -0.154 0.000 0.784 231 P CB 1.743 33.349 31.700 -0.157 0.000 0.913 232 G N 2.312 111.078 108.800 -0.057 0.000 2.599 232 G HA2 0.147 4.101 3.960 -0.010 0.000 0.264 232 G HA3 0.147 4.101 3.960 -0.010 0.000 0.264 232 G C -1.206 173.706 174.900 0.019 0.000 1.200 232 G CA -0.622 44.474 45.100 -0.007 0.000 0.896 232 G HN 0.531 nan 8.290 nan 0.000 0.536 233 Y N 0.407 120.668 120.300 -0.065 0.000 2.584 233 Y HA 0.284 4.828 4.550 -0.010 0.000 0.351 233 Y C 1.227 177.090 175.900 -0.063 0.000 1.030 233 Y CA -0.272 57.786 58.100 -0.071 0.000 1.332 233 Y CB 0.177 38.593 38.460 -0.072 0.000 1.148 233 Y HN 0.698 nan 8.280 nan 0.000 0.528 234 R N 2.758 122.946 120.500 -0.520 0.000 3.610 234 R HA -0.321 4.013 4.340 -0.010 0.000 0.274 234 R C 0.009 176.172 176.300 -0.228 0.000 1.123 234 R CA 1.517 57.349 56.100 -0.448 0.000 0.747 234 R CB -1.885 27.997 30.300 -0.697 0.000 1.149 234 R HN 0.941 nan 8.270 nan 0.000 0.471 235 N N -1.377 117.241 118.700 -0.138 0.000 2.177 235 N HA 0.071 4.805 4.740 -0.010 0.000 0.218 235 N C -0.207 175.255 175.510 -0.079 0.000 1.182 235 N CA -0.352 52.648 53.050 -0.083 0.000 0.882 235 N CB 0.520 38.984 38.487 -0.039 0.000 1.052 235 N HN 0.073 nan 8.380 nan 0.000 0.519 236 N N -0.186 118.462 118.700 -0.087 0.000 2.778 236 N HA -0.136 4.598 4.740 -0.010 0.000 0.249 236 N C -0.916 174.552 175.510 -0.071 0.000 1.069 236 N CA 0.568 53.574 53.050 -0.072 0.000 0.831 236 N CB -1.247 37.198 38.487 -0.069 0.000 1.142 236 N HN 0.192 nan 8.380 nan 0.000 0.573 237 V N 1.223 121.098 119.914 -0.064 0.000 2.465 237 V HA 0.419 4.533 4.120 -0.010 0.000 0.279 237 V C 0.554 176.616 176.094 -0.053 0.000 1.045 237 V CA -0.446 61.822 62.300 -0.053 0.000 0.938 237 V CB 2.088 33.904 31.823 -0.011 0.000 0.986 237 V HN -0.036 nan 8.190 nan 0.000 0.467 238 V N 5.605 125.492 119.914 -0.045 0.000 2.419 238 V HA 0.433 4.547 4.120 -0.010 0.000 0.287 238 V C -0.060 176.017 176.094 -0.029 0.000 1.017 238 V CA -0.871 61.372 62.300 -0.095 0.000 0.844 238 V CB 1.430 33.171 31.823 -0.136 0.000 1.011 238 V HN 0.837 nan 8.190 nan 0.000 0.429 239 N N 1.984 120.640 118.700 -0.072 0.000 2.418 239 N HA 0.561 5.295 4.740 -0.010 0.000 0.283 239 N C -0.024 175.463 175.510 -0.038 0.000 1.267 239 N CA -0.276 52.752 53.050 -0.036 0.000 0.975 239 N CB 1.158 39.582 38.487 -0.105 0.000 1.167 239 N HN 0.578 nan 8.380 nan 0.000 0.581 240 T N 0.703 115.237 114.554 -0.033 0.000 2.841 240 T HA 0.428 4.772 4.350 -0.010 0.000 0.283 240 T C -0.296 174.363 174.700 -0.068 0.000 1.000 240 T CA -0.521 61.627 62.100 0.080 0.000 0.977 240 T CB 1.210 70.249 68.868 0.286 0.000 0.979 240 T HN 0.320 nan 8.240 nan 0.000 0.446 241 M N 3.612 123.140 119.600 -0.119 0.000 2.114 241 M HA 0.517 4.990 4.480 -0.010 0.000 0.332 241 M C -0.563 175.573 176.300 -0.274 0.000 1.014 241 M CA -0.748 54.388 55.300 -0.273 0.000 0.956 241 M CB 0.803 33.199 32.600 -0.341 0.000 1.551 241 M HN 0.487 nan 8.290 nan 0.000 0.427 242 R N 4.729 124.954 120.500 -0.458 0.000 2.265 242 R HA 0.562 4.896 4.340 -0.010 0.000 0.328 242 R C -1.978 174.031 176.300 -0.484 0.000 0.969 242 R CA -0.578 55.211 56.100 -0.518 0.000 0.832 242 R CB 0.905 30.730 30.300 -0.792 0.000 1.139 242 R HN 0.652 nan 8.270 nan 0.000 0.457 243 L N 5.563 126.600 121.223 -0.310 0.000 2.313 243 L HA 0.466 4.800 4.340 -0.010 0.000 0.283 243 L C -1.049 175.769 176.870 -0.087 0.000 1.013 243 L CA -0.484 54.272 54.840 -0.140 0.000 0.816 243 L CB 1.181 43.244 42.059 0.006 0.000 1.236 243 L HN 0.621 nan 8.230 nan 0.000 0.419 244 W N 2.345 123.755 121.300 0.183 0.000 2.315 244 W HA 0.599 5.253 4.660 -0.010 0.000 0.316 244 W C 0.551 177.286 176.519 0.361 0.000 1.211 244 W CA -0.293 57.180 57.345 0.213 0.000 1.201 244 W CB 1.446 30.878 29.460 -0.046 0.000 1.184 244 W HN 0.448 nan 8.180 nan 0.000 0.544 245 S N 1.970 118.078 115.700 0.680 0.000 2.482 245 S HA 0.775 5.239 4.470 -0.010 0.000 0.303 245 S C -0.460 174.489 174.600 0.582 0.000 1.091 245 S CA -0.726 57.781 58.200 0.512 0.000 1.057 245 S CB 0.653 64.091 63.200 0.397 0.000 1.031 245 S HN 0.544 nan 8.310 nan 0.000 0.485 246 A N 4.802 127.804 122.820 0.302 0.000 2.366 246 A HA 0.653 4.967 4.320 -0.010 0.000 0.272 246 A C -0.099 177.545 177.584 0.101 0.000 1.135 246 A CA -0.269 51.834 52.037 0.111 0.000 0.804 246 A CB 0.351 19.123 19.000 -0.380 0.000 1.064 246 A HN 0.661 nan 8.150 nan 0.000 0.499 247 K N 1.101 121.568 120.400 0.112 0.000 2.468 247 K HA 0.600 4.914 4.320 -0.010 0.000 0.252 247 K C -0.585 175.990 176.600 -0.041 0.000 0.932 247 K CA -0.395 55.920 56.287 0.047 0.000 0.794 247 K CB 2.206 34.768 32.500 0.104 0.000 1.241 247 K HN 0.844 nan 8.250 nan 0.000 0.428 248 A N 4.508 127.243 122.820 -0.142 0.000 2.354 248 A HA 0.491 4.805 4.320 -0.010 0.000 0.269 248 A C -2.117 175.400 177.584 -0.111 0.000 1.109 248 A CA -1.107 50.748 52.037 -0.304 0.000 0.800 248 A CB -0.172 18.491 19.000 -0.561 0.000 1.045 248 A HN 0.368 nan 8.150 nan 0.000 0.489 249 P HA 0.091 nan 4.420 nan 0.000 0.272 249 P C 0.021 177.392 177.300 0.118 0.000 1.230 249 P CA -0.395 62.742 63.100 0.062 0.000 0.788 249 P CB 0.632 32.393 31.700 0.101 0.000 0.949 250 N N 0.977 119.738 118.700 0.101 0.000 2.396 250 N HA -0.107 4.627 4.740 -0.010 0.000 0.180 250 N C 0.944 176.536 175.510 0.136 0.000 1.028 250 N CA 1.027 54.144 53.050 0.112 0.000 0.893 250 N CB -0.371 38.165 38.487 0.081 0.000 0.967 250 N HN 0.577 nan 8.380 nan 0.000 0.440 251 D N -0.532 119.949 120.400 0.135 0.000 2.340 251 D HA -0.093 4.541 4.640 -0.010 0.000 0.220 251 D C 0.330 176.709 176.300 0.132 0.000 1.039 251 D CA -0.492 53.576 54.000 0.113 0.000 0.866 251 D CB -0.793 40.057 40.800 0.082 0.000 0.913 251 D HN 0.007 nan 8.370 nan 0.000 0.523 252 F N 2.160 122.126 119.950 0.027 0.000 2.612 252 F HA -0.012 4.509 4.527 -0.010 0.000 0.389 252 F C 0.958 176.766 175.800 0.014 0.000 1.055 252 F CA 0.444 58.457 58.000 0.021 0.000 1.232 252 F CB -0.195 38.817 39.000 0.020 0.000 1.044 252 F HN -0.074 nan 8.300 nan 0.000 0.560 253 N N 2.254 120.553 118.700 -0.669 0.000 2.732 253 N HA -0.272 4.461 4.740 -0.010 0.000 0.250 253 N C -0.877 174.524 175.510 -0.182 0.000 1.097 253 N CA 1.298 54.054 53.050 -0.490 0.000 0.812 253 N CB -0.969 37.214 38.487 -0.507 0.000 1.148 253 N HN 0.517 nan 8.380 nan 0.000 0.572 262 Y N 0.646 120.945 120.300 -0.002 0.000 2.097 262 Y HA -0.102 4.442 4.550 -0.010 0.000 0.282 262 Y C 2.579 178.486 175.900 0.012 0.000 1.152 262 Y CA 2.207 60.309 58.100 0.004 0.000 1.136 262 Y CB -0.032 38.431 38.460 0.006 0.000 0.975 262 Y HN 0.313 nan 8.280 nan 0.000 0.498 263 I N 0.534 121.027 120.570 -0.128 0.000 2.163 263 I HA -0.331 3.832 4.170 -0.010 0.000 0.243 263 I C 2.408 178.416 176.117 -0.181 0.000 1.085 263 I CA 1.580 62.756 61.300 -0.206 0.000 1.347 263 I CB -1.414 36.577 38.000 -0.015 0.000 1.044 263 I HN 0.389 nan 8.210 nan 0.000 0.408 264 Q N 0.492 120.237 119.800 -0.092 0.000 2.096 264 Q HA -0.150 4.184 4.340 -0.010 0.000 0.204 264 Q C 2.389 178.342 176.000 -0.077 0.000 0.982 264 Q CA 1.974 57.739 55.803 -0.063 0.000 0.850 264 Q CB -0.393 28.325 28.738 -0.034 0.000 0.901 264 Q HN 0.562 nan 8.270 nan 0.000 0.422 265 A N -0.032 122.724 122.820 -0.108 0.000 1.940 265 A HA -0.139 4.175 4.320 -0.010 0.000 0.219 265 A C 2.395 179.936 177.584 -0.072 0.000 1.176 265 A CA 1.653 53.631 52.037 -0.098 0.000 0.631 265 A CB -0.589 18.352 19.000 -0.099 0.000 0.814 265 A HN 0.233 nan 8.150 nan 0.000 0.446 266 V N 0.042 119.844 119.914 -0.186 0.000 2.453 266 V HA -0.200 3.914 4.120 -0.010 0.000 0.247 266 V C 2.483 178.551 176.094 -0.043 0.000 1.048 266 V CA 1.736 63.950 62.300 -0.143 0.000 1.049 266 V CB -0.665 30.973 31.823 -0.307 0.000 0.672 266 V HN 0.570 nan 8.190 nan 0.000 0.457 267 L N -0.303 120.889 121.223 -0.052 0.000 2.141 267 L HA -0.108 4.226 4.340 -0.010 0.000 0.209 267 L C 1.918 178.809 176.870 0.035 0.000 1.094 267 L CA 1.123 55.957 54.840 -0.010 0.000 0.763 267 L CB -0.654 41.393 42.059 -0.019 0.000 0.908 267 L HN 0.317 nan 8.230 nan 0.000 0.437 268 D N 0.172 120.610 120.400 0.064 0.000 2.378 268 D HA -0.067 4.567 4.640 -0.010 0.000 0.227 268 D C 2.069 178.534 176.300 0.274 0.000 1.012 268 D CA 0.431 54.512 54.000 0.135 0.000 0.905 268 D CB 0.003 40.867 40.800 0.106 0.000 0.895 268 D HN 0.261 nan 8.370 nan 0.000 0.532 269 R N 0.288 120.917 120.500 0.215 0.000 2.152 269 R HA -0.039 4.295 4.340 -0.010 0.000 0.232 269 R C 1.725 178.001 176.300 -0.039 0.000 1.117 269 R CA 0.740 56.889 56.100 0.082 0.000 0.981 269 R CB -0.221 30.099 30.300 0.032 0.000 0.870 269 R HN 0.334 nan 8.270 nan 0.000 0.451 270 N N 0.422 119.135 118.700 0.023 0.000 2.137 270 N HA -0.199 4.535 4.740 -0.010 0.000 0.190 270 N C 1.275 176.784 175.510 -0.002 0.000 1.017 270 N CA 0.836 53.891 53.050 0.008 0.000 0.859 270 N CB -0.128 38.375 38.487 0.027 0.000 1.002 270 N HN 0.012 nan 8.380 nan 0.000 0.428 271 L N 1.064 122.309 121.223 0.037 0.000 2.043 271 L HA -0.188 4.146 4.340 -0.010 0.000 0.212 271 L C 2.421 179.273 176.870 -0.030 0.000 1.075 271 L CA 1.588 56.453 54.840 0.041 0.000 0.752 271 L CB -0.975 41.161 42.059 0.130 0.000 0.891 271 L HN 0.186 nan 8.230 nan 0.000 0.432 272 A N -1.092 121.649 122.820 -0.131 0.000 1.930 272 A HA -0.119 4.195 4.320 -0.010 0.000 0.215 272 A C 2.099 179.562 177.584 -0.202 0.000 1.176 272 A CA 1.058 52.957 52.037 -0.231 0.000 0.632 272 A CB -0.378 18.308 19.000 -0.523 0.000 0.819 272 A HN 0.517 nan 8.150 nan 0.000 0.445 273 E N 0.231 120.334 120.200 -0.160 0.000 2.482 273 E HA -0.066 4.278 4.350 -0.010 0.000 0.196 273 E C 0.875 177.436 176.600 -0.064 0.000 1.047 273 E CA 0.161 56.497 56.400 -0.106 0.000 0.869 273 E CB -0.139 29.525 29.700 -0.060 0.000 0.836 273 E HN 0.436 nan 8.360 nan 0.000 0.520 274 N N 1.057 119.727 118.700 -0.051 0.000 2.453 274 N HA -0.069 4.665 4.740 -0.010 0.000 0.183 274 N C 1.607 177.110 175.510 -0.011 0.000 1.041 274 N CA 0.562 53.611 53.050 -0.003 0.000 0.900 274 N CB -0.010 38.481 38.487 0.006 0.000 0.961 274 N HN 0.271 nan 8.380 nan 0.000 0.443 275 I N 0.351 120.853 120.570 -0.113 0.000 2.208 275 I HA -0.253 3.911 4.170 -0.010 0.000 0.245 275 I C 1.520 177.602 176.117 -0.060 0.000 1.097 275 I CA 1.286 62.489 61.300 -0.162 0.000 1.363 275 I CB -0.215 37.516 38.000 -0.449 0.000 1.051 275 I HN 0.135 nan 8.210 nan 0.000 0.413 276 S N -0.410 115.247 115.700 -0.071 0.000 2.582 276 S HA 0.160 4.624 4.470 -0.010 0.000 0.234 276 S C 1.515 176.255 174.600 0.234 0.000 0.961 276 S CA -0.495 57.761 58.200 0.094 0.000 0.953 276 S CB 0.210 63.453 63.200 0.071 0.000 0.800 276 S HN 0.208 nan 8.310 nan 0.000 0.471 277 R N 1.319 121.952 120.500 0.221 0.000 2.066 277 R HA 0.246 4.579 4.340 -0.010 0.000 0.232 277 R C 0.467 177.019 176.300 0.422 0.000 1.131 277 R CA 1.282 57.557 56.100 0.292 0.000 0.955 277 R CB -0.314 30.119 30.300 0.222 0.000 0.851 277 R HN 0.403 nan 8.270 nan 0.000 0.432 278 V N 0.173 120.283 119.914 0.327 0.000 2.971 278 V HA 0.376 4.490 4.120 -0.010 0.000 0.309 278 V C -1.562 174.483 176.094 -0.082 0.000 1.130 278 V CA -1.390 61.025 62.300 0.193 0.000 0.964 278 V CB 1.803 33.667 31.823 0.067 0.000 1.029 278 V HN 0.169 nan 8.190 nan 0.000 0.427 279 L N 6.325 127.277 121.223 -0.452 0.000 2.367 279 L HA 0.482 4.816 4.340 -0.010 0.000 0.275 279 L C -0.911 175.785 176.870 -0.289 0.000 1.129 279 L CA 0.410 54.763 54.840 -0.811 0.000 0.839 279 L CB 0.568 42.089 42.059 -0.897 0.000 1.133 279 L HN 0.685 nan 8.230 nan 0.000 0.453 280 Y N 6.810 127.017 120.300 -0.155 0.000 2.496 280 Y HA 0.211 4.755 4.550 -0.010 0.000 0.334 280 Y C -1.387 174.511 175.900 -0.004 0.000 1.080 280 Y CA -1.337 56.752 58.100 -0.018 0.000 1.355 280 Y CB 0.422 38.900 38.460 0.029 0.000 1.193 280 Y HN 0.566 nan 8.280 nan 0.000 0.523 281 P HA -0.011 nan 4.420 nan 0.000 0.249 281 P C -0.840 176.599 177.300 0.232 0.000 1.593 281 P CA 0.216 63.425 63.100 0.182 0.000 0.896 281 P CB 0.088 31.978 31.700 0.318 0.000 1.581 282 N N 1.351 120.197 118.700 0.244 0.000 2.426 282 N HA 0.137 4.871 4.740 -0.010 0.000 0.275 282 N C -0.540 175.124 175.510 0.257 0.000 1.019 282 N CA 0.105 53.324 53.050 0.281 0.000 0.941 282 N CB 1.370 40.067 38.487 0.350 0.000 1.123 282 N HN 0.113 nan 8.380 nan 0.000 0.486 283 D N 2.142 122.717 120.400 0.293 0.000 2.381 283 D HA 0.128 4.762 4.640 -0.010 0.000 0.235 283 D C -0.315 176.200 176.300 0.358 0.000 1.068 283 D CA -0.164 54.005 54.000 0.282 0.000 0.832 283 D CB 0.329 41.288 40.800 0.265 0.000 1.101 283 D HN 0.365 nan 8.370 nan 0.000 0.515 284 N N 2.977 121.854 118.700 0.295 0.000 2.756 284 N HA -0.253 4.481 4.740 -0.010 0.000 0.248 284 N C -1.270 174.480 175.510 0.401 0.000 1.062 284 N CA 0.652 53.868 53.050 0.276 0.000 0.696 284 N CB -1.134 37.478 38.487 0.208 0.000 0.946 284 N HN 0.432 nan 8.380 nan 0.000 0.548 285 F N 0.741 120.792 119.950 0.169 0.000 2.639 285 F HA 0.365 4.886 4.527 -0.010 0.000 0.326 285 F C -1.367 174.513 175.800 0.133 0.000 1.150 285 F CA -1.069 57.007 58.000 0.128 0.000 1.057 285 F CB 0.736 39.771 39.000 0.058 0.000 1.300 285 F HN -0.005 nan 8.300 nan 0.000 0.486 286 F N 6.119 125.619 119.950 -0.749 0.000 2.411 286 F HA 0.474 4.995 4.527 -0.010 0.000 0.350 286 F C -0.362 174.983 175.800 -0.757 0.000 1.114 286 F CA -0.132 57.504 58.000 -0.607 0.000 1.135 286 F CB 0.744 39.437 39.000 -0.510 0.000 1.120 286 F HN 0.603 nan 8.300 nan 0.000 0.495 287 E N 4.489 124.062 120.200 -1.044 0.000 2.141 287 E HA 0.306 4.650 4.350 -0.010 0.000 0.259 287 E C -0.096 175.764 176.600 -1.234 0.000 0.883 287 E CA -0.752 55.139 56.400 -0.849 0.000 0.744 287 E CB 1.220 30.796 29.700 -0.207 0.000 1.150 287 E HN 0.913 nan 8.360 nan 0.000 0.420 288 G N 5.390 113.359 108.800 -1.384 0.000 3.197 288 G HA2 0.020 3.974 3.960 -0.010 0.000 0.257 288 G HA3 0.020 3.974 3.960 -0.010 0.000 0.257 288 G C -0.058 174.759 174.900 -0.138 0.000 0.835 288 G CA -0.202 44.291 45.100 -1.011 0.000 2.001 288 G HN 0.213 nan 8.290 nan 0.000 0.625 289 K N 0.436 120.823 120.400 -0.021 0.000 2.110 289 K HA 0.188 4.502 4.320 -0.010 0.000 0.263 289 K C 0.994 177.736 176.600 0.236 0.000 0.975 289 K CA -0.668 55.697 56.287 0.129 0.000 0.895 289 K CB 2.184 34.757 32.500 0.122 0.000 1.060 289 K HN 0.431 nan 8.250 nan 0.000 0.448 290 E N 1.649 121.954 120.200 0.175 0.000 2.085 290 E HA -0.223 4.121 4.350 -0.010 0.000 0.194 290 E C 1.544 178.171 176.600 0.045 0.000 0.994 290 E CA 1.105 57.558 56.400 0.089 0.000 0.801 290 E CB 0.142 29.899 29.700 0.096 0.000 0.743 290 E HN 0.401 nan 8.360 nan 0.000 0.453 291 L N 1.366 122.658 121.223 0.115 0.000 2.079 291 L HA -0.194 4.140 4.340 -0.010 0.000 0.210 291 L C 2.471 179.433 176.870 0.154 0.000 1.081 291 L CA 1.905 56.830 54.840 0.142 0.000 0.752 291 L CB -0.549 41.668 42.059 0.263 0.000 0.896 291 L HN 0.027 nan 8.230 nan 0.000 0.433 292 R N -0.693 119.851 120.500 0.074 0.000 2.075 292 R HA -0.152 4.182 4.340 -0.010 0.000 0.232 292 R C 2.106 178.443 176.300 0.062 0.000 1.126 292 R CA 1.800 57.873 56.100 -0.046 0.000 0.963 292 R CB -0.996 29.077 30.300 -0.380 0.000 0.858 292 R HN 0.408 nan 8.270 nan 0.000 0.435 293 L N 0.954 122.115 121.223 -0.104 0.000 2.046 293 L HA -0.084 4.250 4.340 -0.010 0.000 0.208 293 L C 1.690 178.500 176.870 -0.099 0.000 1.077 293 L CA 1.924 56.495 54.840 -0.448 0.000 0.747 293 L CB -0.453 41.074 42.059 -0.886 0.000 0.896 293 L HN 0.161 nan 8.230 nan 0.000 0.432 294 K N -0.959 119.428 120.400 -0.022 0.000 2.063 294 K HA -0.208 4.106 4.320 -0.010 0.000 0.208 294 K C 2.073 178.836 176.600 0.272 0.000 1.048 294 K CA 1.832 58.178 56.287 0.098 0.000 0.928 294 K CB -0.213 32.150 32.500 -0.227 0.000 0.713 294 K HN 0.523 nan 8.250 nan 0.000 0.442 295 Q N 0.663 120.588 119.800 0.208 0.000 2.084 295 Q HA -0.189 4.145 4.340 -0.010 0.000 0.202 295 Q C 1.972 178.173 176.000 0.335 0.000 0.978 295 Q CA 1.433 57.418 55.803 0.303 0.000 0.844 295 Q CB -0.044 28.898 28.738 0.339 0.000 0.898 295 Q HN 0.397 nan 8.270 nan 0.000 0.426 296 E N -0.151 120.199 120.200 0.250 0.000 2.077 296 E HA -0.211 4.133 4.350 -0.010 0.000 0.193 296 E C 1.740 178.452 176.600 0.187 0.000 0.989 296 E CA 1.043 57.573 56.400 0.217 0.000 0.800 296 E CB -0.133 29.673 29.700 0.177 0.000 0.746 296 E HN 0.320 nan 8.360 nan 0.000 0.452 297 Y N 0.390 120.737 120.300 0.078 0.000 2.220 297 Y HA -0.201 4.343 4.550 -0.010 0.000 0.291 297 Y C 1.959 177.887 175.900 0.047 0.000 1.129 297 Y CA 0.983 59.078 58.100 -0.008 0.000 1.161 297 Y CB -0.396 38.022 38.460 -0.069 0.000 0.997 297 Y HN 0.011 nan 8.280 nan 0.000 0.522 298 F N -0.237 119.695 119.950 -0.030 0.000 2.065 298 F HA -0.264 4.257 4.527 -0.010 0.000 0.298 298 F C 2.505 178.148 175.800 -0.261 0.000 1.112 298 F CA 2.091 60.026 58.000 -0.107 0.000 1.212 298 F CB -1.117 37.976 39.000 0.154 0.000 0.975 298 F HN -0.059 nan 8.300 nan 0.000 0.476 299 V N -0.480 119.392 119.914 -0.070 0.000 2.427 299 V HA -0.204 3.910 4.120 -0.010 0.000 0.248 299 V C 2.196 178.138 176.094 -0.254 0.000 1.051 299 V CA 1.908 64.130 62.300 -0.129 0.000 1.048 299 V CB -0.378 31.566 31.823 0.202 0.000 0.666 299 V HN 0.270 nan 8.190 nan 0.000 0.456 300 V N 0.384 120.156 119.914 -0.237 0.000 2.307 300 V HA -0.172 3.941 4.120 -0.010 0.000 0.245 300 V C 2.805 178.634 176.094 -0.442 0.000 1.045 300 V CA 2.103 64.248 62.300 -0.258 0.000 1.024 300 V CB -1.100 30.631 31.823 -0.153 0.000 0.651 300 V HN 0.642 nan 8.190 nan 0.000 0.449 301 A N -0.037 122.347 122.820 -0.727 0.000 1.877 301 A HA -0.157 4.157 4.320 -0.010 0.000 0.216 301 A C 2.411 179.611 177.584 -0.640 0.000 1.186 301 A CA 2.314 53.910 52.037 -0.734 0.000 0.620 301 A CB -0.910 17.429 19.000 -1.101 0.000 0.822 301 A HN 0.578 nan 8.150 nan 0.000 0.443 302 A N -1.194 121.074 122.820 -0.920 0.000 1.902 302 A HA -0.063 4.251 4.320 -0.010 0.000 0.217 302 A C 2.316 179.383 177.584 -0.863 0.000 1.181 302 A CA 2.295 53.596 52.037 -1.228 0.000 0.623 302 A CB -1.279 16.286 19.000 -2.392 0.000 0.818 302 A HN 0.442 nan 8.150 nan 0.000 0.443 303 T N 0.496 114.678 114.554 -0.619 0.000 2.674 303 T HA -0.104 4.240 4.350 -0.010 0.000 0.265 303 T C 1.836 176.259 174.700 -0.461 0.000 1.039 303 T CA 1.486 63.334 62.100 -0.420 0.000 1.150 303 T CB -0.410 68.205 68.868 -0.421 0.000 0.864 303 T HN 0.343 nan 8.240 nan 0.000 0.427 304 L N 0.733 121.737 121.223 -0.364 0.000 2.079 304 L HA -0.179 4.155 4.340 -0.010 0.000 0.210 304 L C 2.936 179.694 176.870 -0.187 0.000 1.081 304 L CA 1.434 56.118 54.840 -0.260 0.000 0.752 304 L CB -0.528 41.416 42.059 -0.192 0.000 0.896 304 L HN 0.367 nan 8.230 nan 0.000 0.433 305 Q N -0.658 119.028 119.800 -0.191 0.000 2.084 305 Q HA -0.246 4.088 4.340 -0.010 0.000 0.202 305 Q C 1.794 177.772 176.000 -0.037 0.000 0.978 305 Q CA 1.694 57.439 55.803 -0.098 0.000 0.844 305 Q CB -0.126 28.540 28.738 -0.120 0.000 0.898 305 Q HN 0.399 nan 8.270 nan 0.000 0.426 306 D N 0.614 120.983 120.400 -0.051 0.000 2.117 306 D HA -0.103 4.531 4.640 -0.010 0.000 0.197 306 D C 1.684 177.954 176.300 -0.050 0.000 0.987 306 D CA 0.869 54.899 54.000 0.050 0.000 0.829 306 D CB -0.031 40.901 40.800 0.221 0.000 0.961 306 D HN 0.158 nan 8.370 nan 0.000 0.460 307 I N 0.199 120.626 120.570 -0.239 0.000 2.179 307 I HA -0.244 3.920 4.170 -0.010 0.000 0.242 307 I C 2.365 178.507 176.117 0.042 0.000 1.088 307 I CA 0.757 61.860 61.300 -0.328 0.000 1.357 307 I CB -0.155 37.497 38.000 -0.579 0.000 1.051 307 I HN 0.056 nan 8.210 nan 0.000 0.409 308 I N 0.346 120.995 120.570 0.131 0.000 2.226 308 I HA -0.312 3.852 4.170 -0.010 0.000 0.245 308 I C 2.785 179.086 176.117 0.308 0.000 1.100 308 I CA 1.270 62.768 61.300 0.329 0.000 1.374 308 I CB -0.454 37.681 38.000 0.225 0.000 1.057 308 I HN 0.232 nan 8.210 nan 0.000 0.413 309 R N 1.354 121.963 120.500 0.182 0.000 2.091 309 R HA -0.224 4.110 4.340 -0.010 0.000 0.238 309 R C 2.489 178.889 176.300 0.166 0.000 1.136 309 R CA 1.713 57.910 56.100 0.163 0.000 0.959 309 R CB -0.282 30.103 30.300 0.140 0.000 0.856 309 R HN 0.203 nan 8.270 nan 0.000 0.437 310 R N -0.596 120.000 120.500 0.161 0.000 2.096 310 R HA -0.167 4.167 4.340 -0.010 0.000 0.235 310 R C 2.098 178.516 176.300 0.196 0.000 1.127 310 R CA 1.652 57.847 56.100 0.158 0.000 0.968 310 R CB -0.387 29.988 30.300 0.125 0.000 0.861 310 R HN 0.305 nan 8.270 nan 0.000 0.440 311 F N 1.662 121.671 119.950 0.098 0.000 2.075 311 F HA -0.107 4.413 4.527 -0.010 0.000 0.297 311 F C 1.630 177.463 175.800 0.055 0.000 1.113 311 F CA 1.579 59.629 58.000 0.084 0.000 1.218 311 F CB -0.147 38.957 39.000 0.173 0.000 0.984 311 F HN -0.143 nan 8.300 nan 0.000 0.472 312 K N 0.022 120.408 120.400 -0.024 0.000 2.442 312 K HA -0.127 4.187 4.320 -0.010 0.000 0.200 312 K C 2.022 178.524 176.600 -0.163 0.000 1.045 312 K CA 1.177 57.360 56.287 -0.173 0.000 0.937 312 K CB -0.217 32.301 32.500 0.030 0.000 0.757 312 K HN 0.293 nan 8.250 nan 0.000 0.474 313 S N 0.058 115.711 115.700 -0.079 0.000 2.370 313 S HA 0.008 4.472 4.470 -0.010 0.000 0.214 313 S C 0.611 175.178 174.600 -0.055 0.000 1.033 313 S CA -0.159 58.041 58.200 0.000 0.000 0.941 313 S CB 0.067 63.343 63.200 0.126 0.000 0.886 313 S HN 0.231 nan 8.310 nan 0.000 0.521 325 N N 1.590 120.245 118.700 -0.075 0.000 2.511 325 N HA 0.301 5.035 4.740 -0.010 0.000 0.249 325 N C -0.179 175.365 175.510 0.056 0.000 0.971 325 N CA -0.581 52.503 53.050 0.057 0.000 0.938 325 N CB 0.700 39.223 38.487 0.059 0.000 1.131 325 N HN 0.180 nan 8.380 nan 0.000 0.505 326 F N 1.001 121.044 119.950 0.155 0.000 2.804 326 F HA 0.126 4.647 4.527 -0.010 0.000 0.303 326 F C 1.058 176.922 175.800 0.107 0.000 1.154 326 F CA -0.203 57.870 58.000 0.122 0.000 1.401 326 F CB 0.210 39.154 39.000 -0.094 0.000 1.106 326 F HN 0.388 nan 8.300 nan 0.000 0.568 327 D N 0.661 121.195 120.400 0.223 0.000 2.182 327 D HA -0.177 4.457 4.640 -0.010 0.000 0.201 327 D C 2.174 178.561 176.300 0.145 0.000 0.986 327 D CA 1.332 55.423 54.000 0.152 0.000 0.847 327 D CB -0.058 40.809 40.800 0.112 0.000 0.942 327 D HN 0.255 nan 8.370 nan 0.000 0.467 328 A N -0.853 122.076 122.820 0.181 0.000 2.275 328 A HA 0.117 4.431 4.320 -0.010 0.000 0.212 328 A C 1.553 179.230 177.584 0.156 0.000 1.201 328 A CA -0.323 51.816 52.037 0.169 0.000 0.843 328 A CB -0.718 18.395 19.000 0.189 0.000 0.873 328 A HN 0.225 nan 8.150 nan 0.000 0.492 329 F N 1.949 121.844 119.950 -0.091 0.000 2.091 329 F HA -0.135 4.387 4.527 -0.010 0.000 0.299 329 F C -0.836 174.846 175.800 -0.196 0.000 1.103 329 F CA 2.451 60.190 58.000 -0.436 0.000 1.228 329 F CB -0.617 38.156 39.000 -0.378 0.000 0.984 329 F HN 0.196 nan 8.300 nan 0.000 0.477 330 P HA -0.107 nan 4.420 nan 0.000 0.222 330 P C 0.776 178.036 177.300 -0.067 0.000 1.147 330 P CA 1.544 64.628 63.100 -0.027 0.000 0.790 330 P CB -0.047 31.664 31.700 0.018 0.000 0.780 331 D N -0.980 119.398 120.400 -0.037 0.000 2.323 331 D HA -0.020 4.614 4.640 -0.010 0.000 0.209 331 D C 1.429 177.713 176.300 -0.027 0.000 0.973 331 D CA 0.899 54.890 54.000 -0.015 0.000 0.874 331 D CB 0.131 40.945 40.800 0.022 0.000 0.930 331 D HN 0.151 nan 8.370 nan 0.000 0.521 332 K N 0.135 120.492 120.400 -0.070 0.000 2.374 332 K HA 0.221 4.535 4.320 -0.010 0.000 0.202 332 K C -0.073 176.433 176.600 -0.157 0.000 1.040 332 K CA 0.012 56.269 56.287 -0.049 0.000 1.085 332 K CB 2.387 34.963 32.500 0.127 0.000 0.873 332 K HN -0.064 nan 8.250 nan 0.000 0.539 333 V N 0.748 120.482 119.914 -0.301 0.000 2.808 333 V HA 0.642 4.756 4.120 -0.010 0.000 0.308 333 V C -1.269 174.736 176.094 -0.149 0.000 1.099 333 V CA -1.257 60.867 62.300 -0.292 0.000 0.920 333 V CB 1.985 33.346 31.823 -0.769 0.000 1.014 333 V HN 0.111 nan 8.190 nan 0.000 0.425 334 A N 5.410 128.195 122.820 -0.058 0.000 2.359 334 A HA 0.917 5.231 4.320 -0.010 0.000 0.303 334 A C -1.099 176.512 177.584 0.046 0.000 1.066 334 A CA -0.422 51.614 52.037 -0.002 0.000 0.730 334 A CB 1.080 20.019 19.000 -0.103 0.000 1.211 334 A HN 0.751 nan 8.150 nan 0.000 0.439 335 I N 1.956 122.606 120.570 0.133 0.000 2.382 335 I HA 0.309 4.473 4.170 -0.010 0.000 0.286 335 I C -0.347 175.869 176.117 0.166 0.000 1.002 335 I CA -0.588 60.805 61.300 0.155 0.000 1.135 335 I CB 1.952 40.030 38.000 0.130 0.000 1.288 335 I HN 0.701 nan 8.210 nan 0.000 0.448 336 Q N 6.852 126.747 119.800 0.158 0.000 2.314 336 Q HA 0.515 4.849 4.340 -0.010 0.000 0.259 336 Q C -1.354 174.656 176.000 0.016 0.000 0.951 336 Q CA -0.263 55.660 55.803 0.201 0.000 0.909 336 Q CB 1.378 30.346 28.738 0.384 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.751 125.021 121.223 0.078 0.000 2.257 337 L HA 0.408 4.742 4.340 -0.010 0.000 0.290 337 L C 0.082 176.985 176.870 0.055 0.000 1.044 337 L CA -0.764 54.111 54.840 0.059 0.000 0.810 337 L CB 0.756 42.901 42.059 0.142 0.000 1.193 337 L HN 0.569 nan 8.230 nan 0.000 0.425 338 N N 3.525 122.177 118.700 -0.080 0.000 2.605 338 N HA 0.092 4.826 4.740 -0.010 0.000 0.258 338 N C -0.198 175.322 175.510 0.017 0.000 1.156 338 N CA 0.493 53.543 53.050 -0.000 0.000 1.008 338 N CB -0.196 38.195 38.487 -0.160 0.000 1.354 338 N HN 0.713 nan 8.380 nan 0.000 0.509 339 D N -0.701 119.826 120.400 0.211 0.000 3.876 339 D HA -0.248 4.386 4.640 -0.010 0.000 0.275 339 D C 0.501 176.907 176.300 0.177 0.000 2.055 339 D CA 1.890 56.012 54.000 0.203 0.000 1.173 339 D CB -0.559 40.118 40.800 -0.206 0.000 0.929 339 D HN 0.457 nan 8.370 nan 0.000 1.134 340 T N -3.157 111.433 114.554 0.060 0.000 3.100 340 T HA 0.095 4.438 4.350 -0.010 0.000 0.253 340 T C 1.528 176.313 174.700 0.142 0.000 1.118 340 T CA 1.473 63.595 62.100 0.037 0.000 1.058 340 T CB -0.523 68.338 68.868 -0.011 0.000 0.953 340 T HN 0.528 nan 8.240 nan 0.000 0.515 341 H N 2.681 121.843 119.070 0.153 0.000 2.394 341 H HA -0.027 4.523 4.556 -0.010 0.000 0.297 341 H C -0.804 174.619 175.328 0.157 0.000 1.113 341 H CA 1.159 57.314 56.048 0.178 0.000 1.277 341 H CB -0.788 29.077 29.762 0.173 0.000 1.370 341 H HN 0.454 nan 8.280 nan 0.000 0.506 342 P HA 0.097 nan 4.420 nan 0.000 0.274 342 P C 0.686 178.035 177.300 0.082 0.000 1.673 342 P CA 0.353 63.538 63.100 0.142 0.000 1.193 342 P CB 0.530 32.304 31.700 0.123 0.000 1.571 343 S N -0.115 115.628 115.700 0.072 0.000 2.440 343 S HA -0.119 4.345 4.470 -0.010 0.000 0.238 343 S C 1.795 176.401 174.600 0.010 0.000 1.010 343 S CA 0.726 58.928 58.200 0.004 0.000 0.972 343 S CB -1.429 61.749 63.200 -0.038 0.000 0.774 343 S HN 0.146 nan 8.310 nan 0.000 0.501 344 L N 0.946 122.190 121.223 0.036 0.000 2.450 344 L HA 0.020 4.354 4.340 -0.010 0.000 0.224 344 L C 2.931 179.839 176.870 0.064 0.000 1.149 344 L CA 0.639 55.503 54.840 0.040 0.000 0.816 344 L CB -0.764 41.321 42.059 0.043 0.000 0.932 344 L HN 0.480 nan 8.230 nan 0.000 0.449 345 A N 0.537 123.376 122.820 0.030 0.000 1.978 345 A HA -0.185 4.129 4.320 -0.010 0.000 0.220 345 A C 2.180 179.764 177.584 0.000 0.000 1.170 345 A CA 1.402 53.442 52.037 0.005 0.000 0.636 345 A CB -0.440 18.556 19.000 -0.007 0.000 0.810 345 A HN 0.378 nan 8.150 nan 0.000 0.448 346 I N 0.269 120.840 120.570 0.002 0.000 2.133 346 I HA -0.141 4.023 4.170 -0.010 0.000 0.238 346 I C -0.330 175.802 176.117 0.024 0.000 1.074 346 I CA 1.516 62.813 61.300 -0.006 0.000 1.342 346 I CB -1.022 36.977 38.000 -0.003 0.000 1.053 346 I HN 0.254 nan 8.210 nan 0.000 0.404 347 P HA -0.149 nan 4.420 nan 0.000 0.222 347 P C 1.248 178.561 177.300 0.022 0.000 1.153 347 P CA 1.411 64.540 63.100 0.049 0.000 0.798 347 P CB 0.072 31.822 31.700 0.083 0.000 0.796 348 E N 0.460 120.744 120.200 0.139 0.000 2.072 348 E HA -0.146 4.198 4.350 -0.010 0.000 0.191 348 E C 1.939 178.524 176.600 -0.026 0.000 0.985 348 E CA 0.669 57.172 56.400 0.172 0.000 0.801 348 E CB -1.212 28.641 29.700 0.255 0.000 0.750 348 E HN 0.000 nan 8.360 nan 0.000 0.452 349 L N -0.059 121.119 121.223 -0.075 0.000 2.046 349 L HA -0.088 4.246 4.340 -0.010 0.000 0.208 349 L C 2.093 178.819 176.870 -0.240 0.000 1.077 349 L CA 1.726 56.461 54.840 -0.175 0.000 0.747 349 L CB -0.528 41.429 42.059 -0.170 0.000 0.896 349 L HN 0.231 nan 8.230 nan 0.000 0.432 350 M N -0.764 118.711 119.600 -0.209 0.000 2.117 350 M HA -0.206 4.268 4.480 -0.010 0.000 0.262 350 M C 2.440 178.571 176.300 -0.281 0.000 1.065 350 M CA 1.554 56.677 55.300 -0.295 0.000 1.114 350 M CB -1.188 31.223 32.600 -0.315 0.000 1.361 350 M HN 0.337 nan 8.290 nan 0.000 0.408 351 R N 0.025 120.383 120.500 -0.236 0.000 2.083 351 R HA -0.139 4.195 4.340 -0.010 0.000 0.237 351 R C 2.057 178.249 176.300 -0.180 0.000 1.137 351 R CA 1.745 57.708 56.100 -0.229 0.000 0.951 351 R CB -0.216 29.887 30.300 -0.329 0.000 0.851 351 R HN 0.205 nan 8.270 nan 0.000 0.434 352 V N 1.503 121.310 119.914 -0.179 0.000 2.295 352 V HA -0.261 3.853 4.120 -0.010 0.000 0.246 352 V C 2.440 178.373 176.094 -0.267 0.000 1.049 352 V CA 1.808 63.998 62.300 -0.183 0.000 1.024 352 V CB -0.437 31.273 31.823 -0.189 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.619 120.379 121.223 -0.375 0.000 2.046 353 L HA -0.141 4.193 4.340 -0.010 0.000 0.208 353 L C 2.393 179.085 176.870 -0.296 0.000 1.077 353 L CA 1.162 55.718 54.840 -0.473 0.000 0.747 353 L CB -0.650 41.084 42.059 -0.543 0.000 0.896 353 L HN 0.214 nan 8.230 nan 0.000 0.432 354 V N -0.458 119.320 119.914 -0.226 0.000 2.300 354 V HA -0.189 3.925 4.120 -0.010 0.000 0.241 354 V C 2.030 178.084 176.094 -0.067 0.000 1.034 354 V CA 1.732 63.961 62.300 -0.119 0.000 1.021 354 V CB -0.381 31.396 31.823 -0.077 0.000 0.662 354 V HN 0.343 nan 8.190 nan 0.000 0.458 355 D N 0.099 120.456 120.400 -0.072 0.000 2.117 355 D HA -0.057 4.577 4.640 -0.010 0.000 0.198 355 D C 2.036 178.312 176.300 -0.040 0.000 0.982 355 D CA 1.282 55.257 54.000 -0.041 0.000 0.828 355 D CB -0.032 40.742 40.800 -0.044 0.000 0.967 355 D HN 0.332 nan 8.370 nan 0.000 0.464 356 L N 0.154 121.338 121.223 -0.066 0.000 2.286 356 L HA 0.095 4.429 4.340 -0.010 0.000 0.203 356 L C 1.913 178.757 176.870 -0.043 0.000 1.068 356 L CA 0.533 55.345 54.840 -0.047 0.000 0.811 356 L CB 0.012 42.042 42.059 -0.048 0.000 0.989 356 L HN -0.182 nan 8.230 nan 0.000 0.467 357 E N 0.292 120.435 120.200 -0.096 0.000 2.442 357 E HA 0.025 4.369 4.350 -0.010 0.000 0.195 357 E C 0.170 176.751 176.600 -0.030 0.000 1.030 357 E CA -0.011 56.350 56.400 -0.065 0.000 0.869 357 E CB 0.326 29.888 29.700 -0.231 0.000 0.857 357 E HN 0.180 nan 8.360 nan 0.000 0.505 358 R N -0.351 120.121 120.500 -0.047 0.000 3.776 358 R HA -0.180 4.154 4.340 -0.010 0.000 0.312 358 R C -0.387 175.909 176.300 -0.007 0.000 1.181 358 R CA 0.225 56.318 56.100 -0.012 0.000 0.836 358 R CB -2.785 27.525 30.300 0.016 0.000 1.324 358 R HN 0.080 nan 8.270 nan 0.000 0.501 359 L N 2.157 123.350 121.223 -0.050 0.000 2.436 359 L HA 0.168 4.502 4.340 -0.010 0.000 0.265 359 L C 1.448 178.317 176.870 -0.001 0.000 1.168 359 L CA 0.155 54.976 54.840 -0.032 0.000 0.815 359 L CB 0.402 42.400 42.059 -0.102 0.000 1.109 359 L HN 0.130 nan 8.230 nan 0.000 0.462 360 D N 0.783 121.206 120.400 0.039 0.000 2.362 360 D HA -0.136 4.498 4.640 -0.010 0.000 0.242 360 D C 0.947 177.316 176.300 0.115 0.000 1.132 360 D CA -0.510 53.545 54.000 0.091 0.000 0.907 360 D CB 0.729 41.588 40.800 0.098 0.000 1.195 360 D HN 0.606 nan 8.370 nan 0.000 0.429 361 W N 2.137 123.441 121.300 0.007 0.000 2.301 361 W HA -0.248 4.406 4.660 -0.010 0.000 0.325 361 W C 1.162 177.724 176.519 0.072 0.000 1.250 361 W CA 2.031 59.386 57.345 0.015 0.000 1.261 361 W CB -0.399 29.048 29.460 -0.021 0.000 1.157 361 W HN 0.469 nan 8.180 nan 0.000 0.473 362 D N 0.335 120.950 120.400 0.358 0.000 2.158 362 D HA -0.230 4.404 4.640 -0.010 0.000 0.197 362 D C 1.854 178.261 176.300 0.178 0.000 0.995 362 D CA 2.171 56.347 54.000 0.294 0.000 0.846 362 D CB -0.435 40.506 40.800 0.234 0.000 0.941 362 D HN 0.118 nan 8.370 nan 0.000 0.456 363 K N 1.162 121.623 120.400 0.102 0.000 2.062 363 K HA 0.029 4.342 4.320 -0.010 0.000 0.205 363 K C 1.848 178.443 176.600 -0.009 0.000 1.051 363 K CA 1.358 57.678 56.287 0.055 0.000 0.941 363 K CB -0.489 32.040 32.500 0.049 0.000 0.719 363 K HN -0.001 nan 8.250 nan 0.000 0.440 364 A N 0.645 123.416 122.820 -0.083 0.000 1.877 364 A HA -0.181 4.133 4.320 -0.010 0.000 0.216 364 A C 2.254 179.743 177.584 -0.159 0.000 1.186 364 A CA 1.475 53.391 52.037 -0.201 0.000 0.620 364 A CB -1.251 17.558 19.000 -0.319 0.000 0.822 364 A HN 0.690 nan 8.150 nan 0.000 0.443 365 W N 0.641 121.721 121.300 -0.367 0.000 2.358 365 W HA -0.176 4.478 4.660 -0.010 0.000 0.303 365 W C 1.996 178.453 176.519 -0.104 0.000 1.208 365 W CA 1.846 59.029 57.345 -0.271 0.000 1.274 365 W CB -0.085 29.259 29.460 -0.194 0.000 1.138 365 W HN 0.605 nan 8.180 nan 0.000 0.515 366 E N 0.043 120.237 120.200 -0.010 0.000 2.051 366 E HA -0.222 4.122 4.350 -0.010 0.000 0.192 366 E C 2.050 178.575 176.600 -0.124 0.000 0.991 366 E CA 1.863 58.222 56.400 -0.070 0.000 0.799 366 E CB -0.293 29.425 29.700 0.029 0.000 0.748 366 E HN 0.064 nan 8.360 nan 0.000 0.449 367 V N 0.697 120.554 119.914 -0.095 0.000 2.295 367 V HA -0.256 3.858 4.120 -0.010 0.000 0.246 367 V C 2.400 178.429 176.094 -0.108 0.000 1.049 367 V CA 2.171 64.431 62.300 -0.066 0.000 1.024 367 V CB -0.768 31.006 31.823 -0.082 0.000 0.648 367 V HN 0.369 nan 8.190 nan 0.000 0.447 368 T N 0.089 114.507 114.554 -0.226 0.000 2.652 368 T HA -0.182 4.162 4.350 -0.010 0.000 0.267 368 T C 1.954 176.480 174.700 -0.290 0.000 1.039 368 T CA 1.807 63.749 62.100 -0.264 0.000 1.153 368 T CB -0.287 68.370 68.868 -0.352 0.000 0.863 368 T HN 0.277 nan 8.240 nan 0.000 0.428 369 V N 1.464 121.089 119.914 -0.481 0.000 2.343 369 V HA -0.178 3.936 4.120 -0.010 0.000 0.247 369 V C 2.318 178.377 176.094 -0.059 0.000 1.051 369 V CA 1.652 63.728 62.300 -0.373 0.000 1.036 369 V CB -0.502 31.028 31.823 -0.489 0.000 0.654 369 V HN 0.481 nan 8.190 nan 0.000 0.451 370 K N -0.515 119.834 120.400 -0.084 0.000 2.362 370 K HA -0.074 4.240 4.320 -0.010 0.000 0.200 370 K C 2.030 178.621 176.600 -0.015 0.000 1.046 370 K CA 1.432 57.658 56.287 -0.103 0.000 0.952 370 K CB -0.172 32.260 32.500 -0.112 0.000 0.753 370 K HN 0.466 nan 8.250 nan 0.000 0.466 371 T N 0.127 114.728 114.554 0.078 0.000 3.010 371 T HA 0.037 4.381 4.350 -0.010 0.000 0.252 371 T C 0.845 175.664 174.700 0.199 0.000 1.047 371 T CA 0.314 62.497 62.100 0.140 0.000 1.140 371 T CB 0.150 69.139 68.868 0.202 0.000 0.885 371 T HN 0.165 nan 8.240 nan 0.000 0.464 372 C N 2.631 122.024 119.300 0.155 0.000 2.401 372 C HA 0.869 5.323 4.460 -0.010 0.000 0.365 372 C C 0.587 175.623 174.990 0.077 0.000 1.250 372 C CA -1.291 57.795 59.018 0.113 0.000 2.131 372 C CB -0.092 27.654 27.740 0.010 0.000 2.445 372 C HN 0.575 nan 8.230 nan 0.000 0.550 373 A N 2.462 125.328 122.820 0.077 0.000 2.414 373 A HA 0.740 5.054 4.320 -0.010 0.000 0.306 373 A C -1.430 176.224 177.584 0.117 0.000 1.054 373 A CA -0.410 51.615 52.037 -0.019 0.000 0.724 373 A CB 0.946 19.971 19.000 0.041 0.000 1.267 373 A HN 0.934 nan 8.150 nan 0.000 0.418 374 Y N 1.301 121.551 120.300 -0.085 0.000 2.364 374 Y HA 0.648 5.192 4.550 -0.010 0.000 0.340 374 Y C -0.502 175.389 175.900 -0.015 0.000 0.975 374 Y CA -0.309 57.762 58.100 -0.050 0.000 1.089 374 Y CB 2.044 40.434 38.460 -0.116 0.000 1.192 374 Y HN 0.551 nan 8.280 nan 0.000 0.454 375 T N 6.626 120.944 114.554 -0.393 0.000 2.786 375 T HA 0.190 4.533 4.350 -0.010 0.000 0.283 375 T C -0.844 173.406 174.700 -0.750 0.000 0.992 375 T CA -0.840 60.976 62.100 -0.472 0.000 0.954 375 T CB 0.433 69.259 68.868 -0.071 0.000 0.934 375 T HN 0.670 nan 8.240 nan 0.000 0.440 376 N N 1.861 120.114 118.700 -0.745 0.000 2.498 376 N HA 0.141 4.875 4.740 -0.010 0.000 0.287 376 N C 0.007 175.413 175.510 -0.174 0.000 1.097 376 N CA -0.318 52.548 53.050 -0.306 0.000 0.973 376 N CB 0.780 39.266 38.487 -0.002 0.000 1.153 376 N HN 0.683 nan 8.380 nan 0.000 0.472 377 H N 0.884 119.991 119.070 0.061 0.000 3.058 377 H HA 0.164 4.714 4.556 -0.010 0.000 0.266 377 H C -0.231 175.012 175.328 -0.143 0.000 1.135 377 H CA -0.052 55.977 56.048 -0.031 0.000 1.174 377 H CB 1.148 30.897 29.762 -0.021 0.000 1.581 377 H HN 0.535 nan 8.280 nan 0.000 0.553 378 T N 0.282 114.863 114.554 0.044 0.000 2.893 378 T HA 0.228 4.572 4.350 -0.010 0.000 0.337 378 T C 0.303 175.021 174.700 0.030 0.000 1.587 378 T CA -0.368 61.706 62.100 -0.044 0.000 1.066 378 T CB 1.333 70.180 68.868 -0.035 0.000 1.414 378 T HN -0.035 nan 8.240 nan 0.000 0.488 379 V N 1.622 121.517 119.914 -0.032 0.000 3.477 379 V HA 0.554 4.668 4.120 -0.010 0.000 0.297 379 V C 0.677 176.735 176.094 -0.060 0.000 1.433 379 V CA -0.091 62.180 62.300 -0.049 0.000 1.052 379 V CB -0.376 31.417 31.823 -0.051 0.000 0.895 379 V HN 0.713 nan 8.190 nan 0.000 0.438 380 L N 3.420 124.597 121.223 -0.076 0.000 2.534 380 L HA 0.188 4.522 4.340 -0.010 0.000 0.271 380 L C -0.425 176.448 176.870 0.004 0.000 1.178 380 L CA -0.916 53.903 54.840 -0.036 0.000 0.907 380 L CB 0.759 42.777 42.059 -0.068 0.000 1.164 380 L HN 0.139 nan 8.230 nan 0.000 0.482 381 P HA -0.232 nan 4.420 nan 0.000 0.216 381 P C 0.927 178.235 177.300 0.012 0.000 1.150 381 P CA 1.382 64.488 63.100 0.010 0.000 0.843 381 P CB 0.055 31.766 31.700 0.018 0.000 0.787 382 E N 0.255 120.492 120.200 0.062 0.000 2.418 382 E HA -0.042 4.302 4.350 -0.010 0.000 0.197 382 E C 1.619 178.202 176.600 -0.028 0.000 1.026 382 E CA 1.047 57.475 56.400 0.046 0.000 0.862 382 E CB -0.670 29.162 29.700 0.220 0.000 0.799 382 E HN 0.226 nan 8.360 nan 0.000 0.518 383 A N 1.148 123.985 122.820 0.028 0.000 2.220 383 A HA 0.252 4.566 4.320 -0.010 0.000 0.211 383 A C 1.282 178.858 177.584 -0.014 0.000 1.176 383 A CA -0.333 51.730 52.037 0.044 0.000 0.834 383 A CB -0.015 19.035 19.000 0.085 0.000 0.868 383 A HN 0.140 nan 8.150 nan 0.000 0.488 384 L N 1.497 122.670 121.223 -0.083 0.000 2.416 384 L HA 0.156 4.489 4.340 -0.010 0.000 0.272 384 L C -0.069 176.490 176.870 -0.519 0.000 1.161 384 L CA -0.194 54.540 54.840 -0.177 0.000 0.845 384 L CB 0.613 42.601 42.059 -0.118 0.000 1.119 384 L HN 0.320 nan 8.230 nan 0.000 0.464 385 E N 4.261 124.060 120.200 -0.669 0.000 2.223 385 E HA 0.257 4.601 4.350 -0.010 0.000 0.282 385 E C -0.642 175.359 176.600 -0.998 0.000 1.046 385 E CA -0.229 55.332 56.400 -1.398 0.000 0.857 385 E CB 0.784 29.978 29.700 -0.844 0.000 1.055 385 E HN 0.410 nan 8.360 nan 0.000 0.409 386 R N 3.892 123.674 120.500 -1.196 0.000 2.545 386 R HA 0.181 4.515 4.340 -0.010 0.000 0.289 386 R C -1.281 174.838 176.300 -0.301 0.000 1.327 386 R CA -0.579 55.233 56.100 -0.481 0.000 1.040 386 R CB 0.848 30.991 30.300 -0.262 0.000 1.176 386 R HN 0.462 nan 8.270 nan 0.000 0.518 387 W N 4.160 125.413 121.300 -0.079 0.000 2.316 387 W HA 0.286 4.940 4.660 -0.010 0.000 0.311 387 W C -1.937 174.556 176.519 -0.045 0.000 1.217 387 W CA -2.115 55.244 57.345 0.024 0.000 1.199 387 W CB 0.740 30.194 29.460 -0.010 0.000 1.202 387 W HN 0.237 nan 8.180 nan 0.000 0.528 388 P HA -0.092 nan 4.420 nan 0.000 0.264 388 P C 0.779 178.011 177.300 -0.113 0.000 1.193 388 P CA 0.237 63.298 63.100 -0.064 0.000 0.763 388 P CB 0.748 32.237 31.700 -0.352 0.000 0.810 389 V N 3.240 123.137 119.914 -0.028 0.000 2.407 389 V HA -0.279 3.835 4.120 -0.010 0.000 0.248 389 V C 2.107 178.210 176.094 0.015 0.000 1.055 389 V CA 2.470 64.781 62.300 0.018 0.000 1.049 389 V CB -1.710 30.187 31.823 0.123 0.000 0.662 389 V HN 0.758 nan 8.190 nan 0.000 0.455 390 H N -0.945 118.188 119.070 0.105 0.000 2.456 390 H HA -0.107 4.443 4.556 -0.010 0.000 0.296 390 H C 2.014 177.396 175.328 0.090 0.000 1.079 390 H CA 1.687 57.792 56.048 0.095 0.000 1.322 390 H CB -0.593 29.224 29.762 0.093 0.000 1.388 390 H HN 0.363 nan 8.280 nan 0.000 0.538 391 L N -0.079 121.029 121.223 -0.191 0.000 2.044 391 L HA -0.080 4.254 4.340 -0.010 0.000 0.205 391 L C 2.401 179.245 176.870 -0.044 0.000 1.075 391 L CA 1.004 55.823 54.840 -0.034 0.000 0.747 391 L CB -0.236 41.784 42.059 -0.064 0.000 0.903 391 L HN 0.320 nan 8.230 nan 0.000 0.435 392 L N -0.601 120.564 121.223 -0.097 0.000 2.083 392 L HA -0.247 4.087 4.340 -0.010 0.000 0.209 392 L C 2.495 179.314 176.870 -0.085 0.000 1.083 392 L CA 1.190 55.944 54.840 -0.144 0.000 0.752 392 L CB -0.479 41.480 42.059 -0.166 0.000 0.899 392 L HN 0.344 nan 8.230 nan 0.000 0.433 393 E N -0.319 119.874 120.200 -0.012 0.000 2.085 393 E HA -0.226 4.118 4.350 -0.010 0.000 0.194 393 E C 1.927 178.574 176.600 0.078 0.000 0.994 393 E CA 1.965 58.390 56.400 0.041 0.000 0.801 393 E CB 0.133 29.895 29.700 0.105 0.000 0.743 393 E HN 0.424 nan 8.360 nan 0.000 0.453 394 T N 0.586 115.211 114.554 0.120 0.000 2.894 394 T HA -0.060 4.284 4.350 -0.010 0.000 0.258 394 T C 1.678 176.517 174.700 0.232 0.000 1.043 394 T CA 0.591 62.813 62.100 0.204 0.000 1.141 394 T CB -0.063 68.955 68.868 0.250 0.000 0.873 394 T HN 0.063 nan 8.240 nan 0.000 0.449 395 L N 0.125 121.386 121.223 0.064 0.000 2.127 395 L HA 0.359 4.693 4.340 -0.010 0.000 0.203 395 L C 0.366 177.188 176.870 -0.080 0.000 1.080 395 L CA 1.572 56.336 54.840 -0.126 0.000 0.768 395 L CB 0.050 41.992 42.059 -0.195 0.000 0.924 395 L HN 0.163 nan 8.230 nan 0.000 0.444 396 L N 0.884 122.013 121.223 -0.156 0.000 2.551 396 L HA 0.292 4.626 4.340 -0.010 0.000 0.248 396 L C -1.642 175.051 176.870 -0.294 0.000 1.509 396 L CA -1.002 53.650 54.840 -0.313 0.000 0.842 396 L CB 0.882 42.596 42.059 -0.575 0.000 1.087 396 L HN -0.050 nan 8.230 nan 0.000 0.512 397 P HA -0.241 nan 4.420 nan 0.000 0.216 397 P C 1.474 178.584 177.300 -0.316 0.000 1.153 397 P CA 1.373 64.359 63.100 -0.189 0.000 0.858 397 P CB 0.384 32.049 31.700 -0.058 0.000 0.789 398 R N -0.404 119.720 120.500 -0.626 0.000 2.092 398 R HA -0.147 4.187 4.340 -0.010 0.000 0.231 398 R C 2.394 178.392 176.300 -0.503 0.000 1.119 398 R CA 1.573 57.318 56.100 -0.592 0.000 0.970 398 R CB -1.404 28.378 30.300 -0.863 0.000 0.864 398 R HN 0.235 nan 8.270 nan 0.000 0.440 399 H N -0.281 118.471 119.070 -0.530 0.000 2.421 399 H HA -0.053 4.497 4.556 -0.010 0.000 0.298 399 H C 1.756 176.908 175.328 -0.293 0.000 1.087 399 H CA 1.574 57.398 56.048 -0.374 0.000 1.330 399 H CB -0.050 29.454 29.762 -0.430 0.000 1.388 399 H HN 0.116 nan 8.280 nan 0.000 0.526 400 L N 0.470 121.566 121.223 -0.210 0.000 2.056 400 L HA -0.216 4.118 4.340 -0.010 0.000 0.207 400 L C 1.771 178.441 176.870 -0.334 0.000 1.078 400 L CA 1.541 56.188 54.840 -0.322 0.000 0.749 400 L CB -0.254 41.639 42.059 -0.276 0.000 0.901 400 L HN 0.437 nan 8.230 nan 0.000 0.433 401 Q N -0.237 119.485 119.800 -0.131 0.000 2.084 401 Q HA -0.228 4.106 4.340 -0.010 0.000 0.202 401 Q C 2.167 178.186 176.000 0.032 0.000 0.978 401 Q CA 1.594 57.417 55.803 0.033 0.000 0.844 401 Q CB -0.088 28.676 28.738 0.043 0.000 0.898 401 Q HN 0.558 nan 8.270 nan 0.000 0.426 402 I N 0.533 121.097 120.570 -0.010 0.000 2.315 402 I HA -0.266 3.898 4.170 -0.010 0.000 0.248 402 I C 2.185 178.372 176.117 0.117 0.000 1.117 402 I CA 1.052 62.426 61.300 0.124 0.000 1.404 402 I CB -0.179 37.843 38.000 0.035 0.000 1.071 402 I HN 0.202 nan 8.210 nan 0.000 0.419 403 I N -0.415 120.139 120.570 -0.025 0.000 2.286 403 I HA -0.311 3.853 4.170 -0.010 0.000 0.248 403 I C 2.410 178.533 176.117 0.010 0.000 1.115 403 I CA 1.421 62.695 61.300 -0.044 0.000 1.392 403 I CB -0.366 37.536 38.000 -0.164 0.000 1.065 403 I HN 0.159 nan 8.210 nan 0.000 0.418 404 Y N 0.843 121.147 120.300 0.008 0.000 2.181 404 Y HA -0.259 4.285 4.550 -0.010 0.000 0.288 404 Y C 2.601 178.465 175.900 -0.060 0.000 1.146 404 Y CA 1.483 59.573 58.100 -0.016 0.000 1.164 404 Y CB -0.780 37.663 38.460 -0.028 0.000 0.982 404 Y HN 0.180 nan 8.280 nan 0.000 0.515 405 E N 0.485 120.720 120.200 0.058 0.000 2.077 405 E HA -0.154 4.190 4.350 -0.010 0.000 0.193 405 E C 2.025 178.529 176.600 -0.160 0.000 0.989 405 E CA 1.393 57.678 56.400 -0.190 0.000 0.800 405 E CB -0.558 28.851 29.700 -0.485 0.000 0.746 405 E HN 0.485 nan 8.360 nan 0.000 0.452 406 I N 0.563 121.144 120.570 0.018 0.000 2.226 406 I HA -0.263 3.901 4.170 -0.010 0.000 0.245 406 I C 2.272 178.398 176.117 0.014 0.000 1.100 406 I CA 1.338 62.615 61.300 -0.039 0.000 1.374 406 I CB -0.400 37.591 38.000 -0.015 0.000 1.057 406 I HN 0.212 nan 8.210 nan 0.000 0.413 407 N N 0.801 119.555 118.700 0.090 0.000 2.084 407 N HA -0.262 4.472 4.740 -0.010 0.000 0.190 407 N C 1.869 177.468 175.510 0.149 0.000 1.030 407 N CA 1.530 54.685 53.050 0.175 0.000 0.849 407 N CB -0.129 38.476 38.487 0.197 0.000 1.012 407 N HN 0.281 nan 8.380 nan 0.000 0.423 408 Q N -0.003 119.828 119.800 0.053 0.000 2.030 408 Q HA -0.134 4.200 4.340 -0.010 0.000 0.204 408 Q C 1.992 177.976 176.000 -0.027 0.000 0.986 408 Q CA 1.615 57.411 55.803 -0.012 0.000 0.843 408 Q CB 0.003 28.691 28.738 -0.084 0.000 0.904 408 Q HN 0.392 nan 8.270 nan 0.000 0.420 409 R N -0.782 119.679 120.500 -0.066 0.000 2.115 409 R HA -0.117 4.217 4.340 -0.010 0.000 0.230 409 R C 2.173 178.499 176.300 0.044 0.000 1.111 409 R CA 1.107 57.167 56.100 -0.067 0.000 0.976 409 R CB -0.352 29.852 30.300 -0.161 0.000 0.870 409 R HN 0.287 nan 8.270 nan 0.000 0.445 410 F N 1.684 121.614 119.950 -0.034 0.000 2.113 410 F HA -0.076 4.445 4.527 -0.010 0.000 0.297 410 F C 1.899 177.727 175.800 0.048 0.000 1.103 410 F CA 1.256 59.286 58.000 0.050 0.000 1.248 410 F CB -0.213 38.849 39.000 0.104 0.000 0.999 410 F HN -0.137 nan 8.300 nan 0.000 0.475 411 L N -0.029 121.197 121.223 0.006 0.000 2.201 411 L HA -0.224 4.110 4.340 -0.010 0.000 0.212 411 L C 1.991 178.794 176.870 -0.111 0.000 1.105 411 L CA 1.491 56.276 54.840 -0.092 0.000 0.775 411 L CB -0.881 41.189 42.059 0.018 0.000 0.913 411 L HN 0.247 nan 8.230 nan 0.000 0.440 412 N N -0.210 118.443 118.700 -0.077 0.000 2.188 412 N HA -0.163 4.571 4.740 -0.010 0.000 0.184 412 N C 1.952 177.408 175.510 -0.091 0.000 1.018 412 N CA 0.707 53.715 53.050 -0.071 0.000 0.858 412 N CB 0.019 38.471 38.487 -0.059 0.000 0.989 412 N HN 0.250 nan 8.380 nan 0.000 0.426 413 R N 0.525 120.952 120.500 -0.122 0.000 2.075 413 R HA -0.037 4.297 4.340 -0.010 0.000 0.232 413 R C 2.141 178.338 176.300 -0.171 0.000 1.126 413 R CA 0.795 56.816 56.100 -0.130 0.000 0.963 413 R CB -0.152 30.076 30.300 -0.120 0.000 0.858 413 R HN 0.055 nan 8.270 nan 0.000 0.435 414 V N 0.651 120.410 119.914 -0.258 0.000 2.307 414 V HA -0.228 3.886 4.120 -0.010 0.000 0.245 414 V C 2.354 178.443 176.094 -0.008 0.000 1.045 414 V CA 1.954 64.169 62.300 -0.143 0.000 1.024 414 V CB -0.695 30.979 31.823 -0.249 0.000 0.651 414 V HN 0.430 nan 8.190 nan 0.000 0.449 415 A N 0.012 122.802 122.820 -0.051 0.000 1.940 415 A HA -0.132 4.182 4.320 -0.010 0.000 0.219 415 A C 2.362 179.925 177.584 -0.035 0.000 1.176 415 A CA 2.137 54.162 52.037 -0.021 0.000 0.631 415 A CB -0.668 18.310 19.000 -0.036 0.000 0.814 415 A HN 0.588 nan 8.150 nan 0.000 0.446 416 A N -0.705 122.074 122.820 -0.070 0.000 2.014 416 A HA 0.334 4.648 4.320 -0.010 0.000 0.218 416 A C 2.332 179.826 177.584 -0.151 0.000 1.163 416 A CA 1.615 53.599 52.037 -0.089 0.000 0.652 416 A CB -0.602 18.349 19.000 -0.081 0.000 0.808 416 A HN 0.955 nan 8.150 nan 0.000 0.449 417 A N -1.681 121.003 122.820 -0.226 0.000 2.030 417 A HA 0.411 4.725 4.320 -0.010 0.000 0.215 417 A C 0.371 177.486 177.584 -0.781 0.000 1.164 417 A CA 0.460 52.186 52.037 -0.518 0.000 0.697 417 A CB -0.109 18.504 19.000 -0.645 0.000 0.827 417 A HN 0.405 nan 8.150 nan 0.000 0.457 418 F N -0.114 119.790 119.950 -0.076 0.000 2.622 418 F HA 0.346 4.867 4.527 -0.010 0.000 0.338 418 F C -2.811 172.954 175.800 -0.060 0.000 1.334 418 F CA -2.841 55.119 58.000 -0.067 0.000 1.179 418 F CB 0.743 39.696 39.000 -0.080 0.000 1.471 418 F HN -0.083 nan 8.300 nan 0.000 0.576 419 P HA 0.150 nan 4.420 nan 0.000 0.262 419 P C 1.019 178.340 177.300 0.035 0.000 1.182 419 P CA 1.224 64.337 63.100 0.021 0.000 0.761 419 P CB 0.755 32.449 31.700 -0.010 0.000 0.795 420 G N 2.742 111.555 108.800 0.022 0.000 2.205 420 G HA2 -0.260 3.694 3.960 -0.010 0.000 0.261 420 G HA3 -0.260 3.694 3.960 -0.010 0.000 0.261 420 G C 0.389 175.299 174.900 0.017 0.000 0.980 420 G CA 0.110 45.219 45.100 0.015 0.000 0.632 420 G HN 0.609 nan 8.290 nan 0.000 0.533 421 D N 1.411 121.830 120.400 0.032 0.000 2.551 421 D HA 0.378 5.012 4.640 -0.010 0.000 0.223 421 D C 2.098 178.389 176.300 -0.015 0.000 1.144 421 D CA 0.388 54.391 54.000 0.006 0.000 1.025 421 D CB 0.337 41.140 40.800 0.005 0.000 1.085 421 D HN 0.613 nan 8.370 nan 0.000 0.506 422 V N 0.692 120.599 119.914 -0.013 0.000 2.626 422 V HA -0.150 3.964 4.120 -0.010 0.000 0.252 422 V C 1.765 177.847 176.094 -0.021 0.000 1.067 422 V CA 1.571 63.862 62.300 -0.014 0.000 1.081 422 V CB -0.435 31.384 31.823 -0.008 0.000 0.686 422 V HN 0.219 nan 8.190 nan 0.000 0.468 423 D N 0.469 120.852 120.400 -0.028 0.000 2.149 423 D HA -0.157 4.477 4.640 -0.010 0.000 0.201 423 D C 2.338 178.608 176.300 -0.050 0.000 0.972 423 D CA 1.337 55.320 54.000 -0.029 0.000 0.835 423 D CB -0.215 40.568 40.800 -0.029 0.000 0.966 423 D HN 0.446 nan 8.370 nan 0.000 0.476 424 R N -0.052 120.393 120.500 -0.092 0.000 2.081 424 R HA -0.105 4.229 4.340 -0.010 0.000 0.235 424 R C 2.292 178.521 176.300 -0.118 0.000 1.131 424 R CA 0.958 56.964 56.100 -0.157 0.000 0.960 424 R CB -0.304 29.838 30.300 -0.263 0.000 0.856 424 R HN 0.252 nan 8.270 nan 0.000 0.436 425 L N 0.649 121.829 121.223 -0.073 0.000 2.013 425 L HA -0.238 4.096 4.340 -0.010 0.000 0.212 425 L C 2.714 179.588 176.870 0.006 0.000 1.073 425 L CA 2.036 56.853 54.840 -0.038 0.000 0.753 425 L CB -0.560 41.487 42.059 -0.019 0.000 0.890 425 L HN 0.305 nan 8.230 nan 0.000 0.432 426 R N 0.126 120.635 120.500 0.014 0.000 2.115 426 R HA -0.093 4.241 4.340 -0.010 0.000 0.226 426 R C 2.120 178.469 176.300 0.082 0.000 1.100 426 R CA 1.004 57.134 56.100 0.051 0.000 0.980 426 R CB -0.561 29.763 30.300 0.040 0.000 0.875 426 R HN 0.212 nan 8.270 nan 0.000 0.445 427 R N 0.102 120.631 120.500 0.048 0.000 2.115 427 R HA 0.129 4.462 4.340 -0.010 0.000 0.226 427 R C 2.036 178.409 176.300 0.121 0.000 1.100 427 R CA 1.708 57.859 56.100 0.086 0.000 0.980 427 R CB -0.194 30.117 30.300 0.019 0.000 0.875 427 R HN 0.325 nan 8.270 nan 0.000 0.445 428 M N 0.175 119.768 119.600 -0.012 0.000 2.514 428 M HA 0.040 4.514 4.480 -0.010 0.000 0.258 428 M C 0.906 177.343 176.300 0.229 0.000 1.119 428 M CA 0.031 55.270 55.300 -0.101 0.000 1.111 428 M CB 0.369 32.770 32.600 -0.331 0.000 1.390 428 M HN -0.081 nan 8.290 nan 0.000 0.475 429 S N 1.152 117.003 115.700 0.252 0.000 2.558 429 S HA 0.016 4.480 4.470 -0.010 0.000 0.291 429 S C 1.110 175.960 174.600 0.418 0.000 1.306 429 S CA -0.159 58.222 58.200 0.301 0.000 1.056 429 S CB 0.524 63.847 63.200 0.206 0.000 0.836 429 S HN 0.369 nan 8.310 nan 0.000 0.504 430 L N 4.102 125.525 121.223 0.334 0.000 2.395 430 L HA 0.114 4.448 4.340 -0.010 0.000 0.218 430 L C 0.237 177.218 176.870 0.185 0.000 1.130 430 L CA 0.236 55.236 54.840 0.267 0.000 0.826 430 L CB -0.362 41.791 42.059 0.157 0.000 0.941 430 L HN 0.398 nan 8.230 nan 0.000 0.451 431 V N 0.773 120.809 119.914 0.202 0.000 2.370 431 V HA 0.186 4.300 4.120 -0.010 0.000 0.279 431 V C 0.047 176.231 176.094 0.151 0.000 1.029 431 V CA -0.621 61.784 62.300 0.176 0.000 0.870 431 V CB 1.426 33.388 31.823 0.231 0.000 0.984 431 V HN 0.166 nan 8.190 nan 0.000 0.451 432 E N 3.172 123.440 120.200 0.113 0.000 2.174 432 E HA 0.436 4.780 4.350 -0.010 0.000 0.282 432 E C -0.689 175.964 176.600 0.088 0.000 0.992 432 E CA -0.559 55.898 56.400 0.095 0.000 0.803 432 E CB 2.055 31.791 29.700 0.060 0.000 1.090 432 E HN 0.610 nan 8.360 nan 0.000 0.396 433 E N 0.830 121.079 120.200 0.080 0.000 2.280 433 E HA 0.655 4.999 4.350 -0.010 0.000 0.261 433 E C 0.127 176.763 176.600 0.061 0.000 1.088 433 E CA 0.265 56.707 56.400 0.070 0.000 0.915 433 E CB 1.512 31.247 29.700 0.059 0.000 1.141 433 E HN 0.637 nan 8.360 nan 0.000 0.433 434 G N -0.220 108.615 108.800 0.057 0.000 2.291 434 G HA2 0.225 4.179 3.960 -0.010 0.000 0.249 434 G HA3 0.225 4.179 3.960 -0.010 0.000 0.249 434 G C 0.493 175.426 174.900 0.055 0.000 1.340 434 G CA 0.320 45.450 45.100 0.051 0.000 1.017 434 G HN 0.645 nan 8.290 nan 0.000 0.470 435 A N -0.794 122.057 122.820 0.052 0.000 1.863 435 A HA 0.270 4.584 4.320 -0.010 0.000 0.218 435 A C 1.757 179.384 177.584 0.073 0.000 1.233 435 A CA 4.406 56.476 52.037 0.055 0.000 0.655 435 A CB -1.303 17.729 19.000 0.053 0.000 0.839 435 A HN 2.400 nan 8.150 nan 0.000 0.454 436 V N -3.333 116.635 119.914 0.090 0.000 2.604 436 V HA 0.570 4.684 4.120 -0.010 0.000 0.305 436 V C -0.582 175.580 176.094 0.114 0.000 1.043 436 V CA -1.384 60.992 62.300 0.126 0.000 0.888 436 V CB 1.633 33.562 31.823 0.176 0.000 0.995 436 V HN 0.366 nan 8.190 nan 0.000 0.429 437 K N 4.015 124.490 120.400 0.126 0.000 2.350 437 K HA 0.496 4.810 4.320 -0.010 0.000 0.279 437 K C -0.401 176.262 176.600 0.104 0.000 1.027 437 K CA -0.180 56.177 56.287 0.116 0.000 0.969 437 K CB 0.904 33.486 32.500 0.137 0.000 0.954 437 K HN 0.728 nan 8.250 nan 0.000 0.474 438 R N 1.514 122.065 120.500 0.086 0.000 2.837 438 R HA 0.485 4.819 4.340 -0.010 0.000 0.271 438 R C -0.586 175.750 176.300 0.059 0.000 0.993 438 R CA -1.025 55.115 56.100 0.065 0.000 0.931 438 R CB 1.334 31.655 30.300 0.036 0.000 1.206 438 R HN 0.370 nan 8.270 nan 0.000 0.474 439 I N 1.903 122.503 120.570 0.051 0.000 2.354 439 I HA 0.159 4.323 4.170 -0.010 0.000 0.292 439 I C -0.215 175.886 176.117 -0.027 0.000 0.989 439 I CA -0.703 60.615 61.300 0.030 0.000 1.188 439 I CB 1.293 39.309 38.000 0.028 0.000 1.342 439 I HN 0.516 nan 8.210 nan 0.000 0.457 440 N N 7.166 125.823 118.700 -0.073 0.000 2.439 440 N HA 0.091 4.825 4.740 -0.010 0.000 0.243 440 N C 0.826 176.229 175.510 -0.178 0.000 1.088 440 N CA -0.363 52.559 53.050 -0.213 0.000 0.940 440 N CB 0.946 39.161 38.487 -0.453 0.000 1.180 440 N HN 0.375 nan 8.380 nan 0.000 0.505 441 M N 2.371 121.873 119.600 -0.163 0.000 2.279 441 M HA -0.084 4.390 4.480 -0.010 0.000 0.264 441 M C 1.930 178.084 176.300 -0.242 0.000 1.062 441 M CA 0.789 56.008 55.300 -0.135 0.000 1.099 441 M CB -1.570 30.994 32.600 -0.060 0.000 1.394 441 M HN 0.603 nan 8.290 nan 0.000 0.426 442 A N -0.583 122.086 122.820 -0.251 0.000 1.898 442 A HA -0.167 4.147 4.320 -0.010 0.000 0.216 442 A C 1.990 179.330 177.584 -0.407 0.000 1.181 442 A CA 1.446 53.297 52.037 -0.311 0.000 0.620 442 A CB -1.107 17.913 19.000 0.034 0.000 0.819 442 A HN 0.600 nan 8.150 nan 0.000 0.442 443 H N -1.027 117.813 119.070 -0.384 0.000 2.389 443 H HA -0.032 4.518 4.556 -0.010 0.000 0.299 443 H C 2.128 177.207 175.328 -0.415 0.000 1.081 443 H CA 0.938 56.707 56.048 -0.465 0.000 1.345 443 H CB -0.054 29.664 29.762 -0.075 0.000 1.393 443 H HN 0.382 nan 8.280 nan 0.000 0.520 444 L N 0.404 121.531 121.223 -0.160 0.000 2.012 444 L HA -0.237 4.097 4.340 -0.010 0.000 0.210 444 L C 2.245 178.968 176.870 -0.245 0.000 1.073 444 L CA 1.378 56.126 54.840 -0.153 0.000 0.748 444 L CB -0.416 41.583 42.059 -0.100 0.000 0.891 444 L HN 0.446 nan 8.230 nan 0.000 0.431 445 C N 0.062 119.113 119.300 -0.415 0.000 2.429 445 C HA -0.177 4.277 4.460 -0.010 0.000 0.277 445 C C 2.667 177.390 174.990 -0.445 0.000 1.262 445 C CA 0.646 59.338 59.018 -0.543 0.000 1.733 445 C CB -0.789 26.228 27.740 -1.205 0.000 2.010 445 C HN 0.522 nan 8.230 nan 0.000 0.483 446 I N 1.370 121.627 120.570 -0.522 0.000 2.179 446 I HA -0.194 3.970 4.170 -0.010 0.000 0.242 446 I C 2.770 178.727 176.117 -0.267 0.000 1.088 446 I CA 1.627 62.674 61.300 -0.421 0.000 1.357 446 I CB -0.611 36.982 38.000 -0.677 0.000 1.051 446 I HN 0.265 nan 8.210 nan 0.000 0.409 447 A N 0.696 123.326 122.820 -0.317 0.000 1.902 447 A HA -0.107 4.207 4.320 -0.010 0.000 0.217 447 A C 2.230 179.846 177.584 0.054 0.000 1.181 447 A CA 1.902 53.813 52.037 -0.211 0.000 0.623 447 A CB -1.185 17.511 19.000 -0.506 0.000 0.818 447 A HN 0.481 nan 8.150 nan 0.000 0.443 448 G N -1.152 107.617 108.800 -0.052 0.000 3.233 448 G HA2 0.405 4.359 3.960 -0.010 0.000 0.227 448 G HA3 0.405 4.359 3.960 -0.010 0.000 0.227 448 G C 0.149 174.875 174.900 -0.289 0.000 1.175 448 G CA 0.514 45.451 45.100 -0.272 0.000 0.781 448 G HN 0.361 nan 8.290 nan 0.000 0.542 449 S N -0.445 115.142 115.700 -0.189 0.000 2.566 449 S HA 0.343 4.807 4.470 -0.010 0.000 0.298 449 S C 0.691 175.224 174.600 -0.112 0.000 1.083 449 S CA -0.714 57.401 58.200 -0.141 0.000 0.978 449 S CB 1.290 64.418 63.200 -0.120 0.000 1.073 449 S HN 0.505 nan 8.310 nan 0.000 0.491 450 H N -0.290 118.737 119.070 -0.073 0.000 2.553 450 H HA 0.535 5.085 4.556 -0.010 0.000 0.265 450 H C 0.082 175.382 175.328 -0.047 0.000 0.964 450 H CA 0.161 56.188 56.048 -0.036 0.000 1.156 450 H CB 0.170 29.931 29.762 -0.003 0.000 1.411 450 H HN 0.508 nan 8.280 nan 0.000 0.558 451 A N 1.009 123.502 122.820 -0.544 0.000 2.488 451 A HA 0.562 4.876 4.320 -0.010 0.000 0.298 451 A C -1.443 175.938 177.584 -0.339 0.000 1.044 451 A CA -0.565 51.218 52.037 -0.423 0.000 0.693 451 A CB 2.237 20.962 19.000 -0.459 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.082 123.769 119.914 -0.379 0.000 2.577 452 V HA 0.571 4.685 4.120 -0.010 0.000 0.303 452 V C -0.799 175.133 176.094 -0.270 0.000 1.042 452 V CA -0.757 61.333 62.300 -0.350 0.000 0.872 452 V CB 1.872 33.375 31.823 -0.534 0.000 0.998 452 V HN 1.041 nan 8.190 nan 0.000 0.423 453 N N 2.909 121.465 118.700 -0.241 0.000 2.284 453 N HA 0.624 5.358 4.740 -0.010 0.000 0.289 453 N C -0.316 175.102 175.510 -0.153 0.000 1.179 453 N CA -0.389 52.559 53.050 -0.170 0.000 0.774 453 N CB 2.835 41.192 38.487 -0.217 0.000 1.548 453 N HN 0.650 nan 8.380 nan 0.000 0.473 454 G N -0.916 107.825 108.800 -0.098 0.000 2.531 454 G HA2 0.438 4.391 3.960 -0.010 0.000 0.313 454 G HA3 0.438 4.391 3.960 -0.010 0.000 0.313 454 G C 0.681 175.640 174.900 0.099 0.000 1.238 454 G CA -0.512 44.573 45.100 -0.025 0.000 0.994 454 G HN 0.639 nan 8.290 nan 0.000 0.493 455 V N -3.594 116.498 119.914 0.297 0.000 3.319 455 V HA 0.697 4.811 4.120 -0.010 0.000 0.317 455 V C 0.508 176.682 176.094 0.134 0.000 1.411 455 V CA 0.254 62.640 62.300 0.144 0.000 1.112 455 V CB -0.793 31.073 31.823 0.073 0.000 1.031 455 V HN 1.370 nan 8.190 nan 0.000 0.448 456 A N -0.076 122.831 122.820 0.146 0.000 2.594 456 A HA 0.619 4.933 4.320 -0.010 0.000 0.296 456 A C 0.673 178.305 177.584 0.079 0.000 1.056 456 A CA -0.095 52.006 52.037 0.106 0.000 0.693 456 A CB 1.174 20.227 19.000 0.088 0.000 1.278 456 A HN 0.051 nan 8.150 nan 0.000 0.408 457 R N 1.092 121.618 120.500 0.043 0.000 2.112 457 R HA -0.184 4.150 4.340 -0.010 0.000 0.242 457 R C 1.679 177.975 176.300 -0.006 0.000 1.137 457 R CA 2.394 58.498 56.100 0.005 0.000 0.944 457 R CB -0.252 30.047 30.300 -0.002 0.000 0.857 457 R HN 0.834 nan 8.270 nan 0.000 0.435 458 I N 0.217 120.792 120.570 0.009 0.000 2.286 458 I HA -0.293 3.871 4.170 -0.010 0.000 0.248 458 I C 2.339 178.463 176.117 0.010 0.000 1.115 458 I CA 1.862 63.160 61.300 -0.005 0.000 1.392 458 I CB -0.233 37.764 38.000 -0.005 0.000 1.065 458 I HN 0.364 nan 8.210 nan 0.000 0.418 459 H N 0.293 119.328 119.070 -0.058 0.000 2.326 459 H HA -0.113 4.437 4.556 -0.010 0.000 0.301 459 H C 2.270 177.551 175.328 -0.079 0.000 1.081 459 H CA 2.176 58.182 56.048 -0.071 0.000 1.334 459 H CB -0.291 29.436 29.762 -0.058 0.000 1.385 459 H HN 0.231 nan 8.280 nan 0.000 0.504 460 S N 0.338 115.908 115.700 -0.217 0.000 2.382 460 S HA -0.124 4.340 4.470 -0.010 0.000 0.228 460 S C 1.885 176.348 174.600 -0.230 0.000 1.027 460 S CA 1.223 59.268 58.200 -0.259 0.000 0.991 460 S CB -0.074 63.054 63.200 -0.120 0.000 0.823 460 S HN 0.487 nan 8.310 nan 0.000 0.469 461 E N 1.116 121.211 120.200 -0.176 0.000 2.107 461 E HA 0.021 4.365 4.350 -0.010 0.000 0.191 461 E C 2.001 178.479 176.600 -0.204 0.000 0.982 461 E CA 0.592 56.881 56.400 -0.186 0.000 0.809 461 E CB -0.324 29.301 29.700 -0.124 0.000 0.756 461 E HN 0.510 nan 8.360 nan 0.000 0.459 462 I N 0.923 121.386 120.570 -0.179 0.000 2.286 462 I HA -0.256 3.908 4.170 -0.010 0.000 0.248 462 I C 2.370 178.347 176.117 -0.234 0.000 1.115 462 I CA 0.720 61.920 61.300 -0.166 0.000 1.392 462 I CB -0.208 37.729 38.000 -0.106 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.455 121.487 121.223 -0.319 0.000 2.046 463 L HA -0.220 4.114 4.340 -0.010 0.000 0.208 463 L C 2.461 179.170 176.870 -0.269 0.000 1.077 463 L CA 1.574 56.206 54.840 -0.347 0.000 0.747 463 L CB -0.521 41.368 42.059 -0.283 0.000 0.896 463 L HN 0.198 nan 8.230 nan 0.000 0.432 464 K N -0.117 120.070 120.400 -0.356 0.000 2.217 464 K HA -0.106 4.207 4.320 -0.010 0.000 0.202 464 K C 1.947 178.346 176.600 -0.334 0.000 1.051 464 K CA 0.862 56.823 56.287 -0.543 0.000 0.952 464 K CB 0.083 32.010 32.500 -0.956 0.000 0.736 464 K HN 0.271 nan 8.250 nan 0.000 0.453 465 K N -0.034 120.225 120.400 -0.235 0.000 2.323 465 K HA -0.010 4.304 4.320 -0.010 0.000 0.197 465 K C 1.737 178.282 176.600 -0.092 0.000 1.043 465 K CA 1.209 57.413 56.287 -0.138 0.000 0.997 465 K CB 0.576 33.004 32.500 -0.121 0.000 0.807 465 K HN 0.248 nan 8.250 nan 0.000 0.497 466 T N -1.543 112.946 114.554 -0.109 0.000 3.257 466 T HA 0.109 4.453 4.350 -0.010 0.000 0.176 466 T C 1.660 176.328 174.700 -0.053 0.000 0.892 466 T CA -0.439 61.616 62.100 -0.076 0.000 1.147 466 T CB -0.371 68.443 68.868 -0.089 0.000 1.840 466 T HN -0.231 nan 8.240 nan 0.000 0.375 467 I N 1.349 121.836 120.570 -0.139 0.000 2.185 467 I HA -0.073 4.091 4.170 -0.010 0.000 0.246 467 I C 1.780 177.974 176.117 0.128 0.000 1.088 467 I CA 1.825 63.033 61.300 -0.153 0.000 1.347 467 I CB -1.434 36.253 38.000 -0.521 0.000 1.041 467 I HN 0.398 nan 8.210 nan 0.000 0.415 468 F N 0.100 120.116 119.950 0.110 0.000 2.708 468 F HA 0.176 4.697 4.527 -0.010 0.000 0.300 468 F C 1.986 177.857 175.800 0.120 0.000 1.118 468 F CA -0.497 57.638 58.000 0.225 0.000 1.307 468 F CB 0.116 39.220 39.000 0.173 0.000 0.986 468 F HN -0.036 nan 8.300 nan 0.000 0.522 469 K N 1.161 121.672 120.400 0.186 0.000 2.034 469 K HA -0.229 4.085 4.320 -0.010 0.000 0.214 469 K C 1.369 178.020 176.600 0.085 0.000 1.051 469 K CA 2.263 58.601 56.287 0.085 0.000 0.931 469 K CB -0.038 32.480 32.500 0.030 0.000 0.715 469 K HN 0.156 nan 8.250 nan 0.000 0.446 470 D N -0.179 120.236 120.400 0.026 0.000 2.123 470 D HA -0.171 4.463 4.640 -0.010 0.000 0.196 470 D C 1.835 178.031 176.300 -0.173 0.000 0.992 470 D CA 1.286 55.172 54.000 -0.189 0.000 0.833 470 D CB -0.306 40.272 40.800 -0.370 0.000 0.954 470 D HN 0.249 nan 8.370 nan 0.000 0.455 471 F N -0.178 119.844 119.950 0.120 0.000 2.186 471 F HA -0.136 4.385 4.527 -0.010 0.000 0.299 471 F C 2.341 178.306 175.800 0.275 0.000 1.090 471 F CA 0.484 58.636 58.000 0.253 0.000 1.307 471 F CB -0.684 38.522 39.000 0.343 0.000 1.019 471 F HN -0.032 nan 8.300 nan 0.000 0.489 472 Y N 1.442 121.730 120.300 -0.020 0.000 2.224 472 Y HA -0.184 4.360 4.550 -0.010 0.000 0.289 472 Y C 2.057 177.974 175.900 0.028 0.000 1.146 472 Y CA 1.588 59.515 58.100 -0.288 0.000 1.182 472 Y CB -0.612 37.487 38.460 -0.602 0.000 0.983 472 Y HN 0.151 nan 8.280 nan 0.000 0.524 473 E N -0.451 119.714 120.200 -0.058 0.000 2.150 473 E HA -0.171 4.173 4.350 -0.010 0.000 0.193 473 E C 1.953 178.623 176.600 0.117 0.000 0.985 473 E CA 1.116 57.488 56.400 -0.046 0.000 0.814 473 E CB -0.223 29.490 29.700 0.021 0.000 0.752 473 E HN 0.429 nan 8.360 nan 0.000 0.466 474 L N 0.950 122.283 121.223 0.183 0.000 2.095 474 L HA -0.026 4.308 4.340 -0.010 0.000 0.204 474 L C 0.299 177.276 176.870 0.178 0.000 1.080 474 L CA 1.642 56.625 54.840 0.239 0.000 0.759 474 L CB 0.410 42.611 42.059 0.236 0.000 0.914 474 L HN -0.115 nan 8.230 nan 0.000 0.439 475 E N 0.054 120.361 120.200 0.178 0.000 3.666 475 E HA 0.179 4.523 4.350 -0.010 0.000 0.230 475 E C -1.994 174.572 176.600 -0.056 0.000 1.235 475 E CA -1.229 55.193 56.400 0.036 0.000 1.096 475 E CB 0.706 30.391 29.700 -0.024 0.000 1.287 475 E HN 0.208 nan 8.360 nan 0.000 0.406 476 P HA -0.265 nan 4.420 nan 0.000 0.217 476 P C 1.195 178.601 177.300 0.177 0.000 1.148 476 P CA 1.468 64.507 63.100 -0.100 0.000 0.828 476 P CB -0.038 31.457 31.700 -0.340 0.000 0.783 477 H N 0.316 119.483 119.070 0.162 0.000 2.456 477 H HA 0.034 4.583 4.556 -0.010 0.000 0.296 477 H C 1.539 176.941 175.328 0.122 0.000 1.079 477 H CA 0.904 57.033 56.048 0.136 0.000 1.322 477 H CB -0.841 28.973 29.762 0.087 0.000 1.388 477 H HN 0.173 nan 8.280 nan 0.000 0.538 478 K N 0.344 120.565 120.400 -0.299 0.000 2.155 478 K HA 0.013 4.327 4.320 -0.010 0.000 0.203 478 K C -0.039 176.356 176.600 -0.341 0.000 1.052 478 K CA 0.322 56.417 56.287 -0.320 0.000 0.948 478 K CB 0.008 32.181 32.500 -0.546 0.000 0.728 478 K HN 0.101 nan 8.250 nan 0.000 0.448 479 F N 1.986 121.962 119.950 0.044 0.000 2.472 479 F HA 0.122 4.643 4.527 -0.010 0.000 0.364 479 F C 0.586 176.394 175.800 0.013 0.000 1.090 479 F CA 0.076 58.111 58.000 0.059 0.000 1.188 479 F CB 0.686 39.786 39.000 0.167 0.000 1.105 479 F HN -0.059 nan 8.300 nan 0.000 0.536 480 Q N 1.748 121.581 119.800 0.055 0.000 2.683 480 Q HA 0.387 4.721 4.340 -0.010 0.000 0.302 480 Q C -1.157 174.804 176.000 -0.064 0.000 1.042 480 Q CA -1.302 54.486 55.803 -0.025 0.000 0.773 480 Q CB 3.028 31.696 28.738 -0.116 0.000 1.508 480 Q HN 0.624 nan 8.270 nan 0.000 0.459 481 N N 0.546 119.185 118.700 -0.102 0.000 2.238 481 N HA 0.290 5.024 4.740 -0.010 0.000 0.302 481 N C -1.573 173.832 175.510 -0.174 0.000 1.072 481 N CA -0.396 52.590 53.050 -0.106 0.000 0.792 481 N CB 1.232 39.679 38.487 -0.066 0.000 1.425 481 N HN 0.305 nan 8.380 nan 0.000 0.478 482 K N 2.687 122.986 120.400 -0.168 0.000 2.803 482 K HA 0.175 4.488 4.320 -0.010 0.000 0.229 482 K C -1.010 175.590 176.600 0.001 0.000 1.084 482 K CA -0.463 55.690 56.287 -0.223 0.000 1.063 482 K CB 1.123 33.239 32.500 -0.641 0.000 1.254 482 K HN 0.552 nan 8.250 nan 0.000 0.551 483 T N 2.006 116.580 114.554 0.034 0.000 2.908 483 T HA 0.045 4.389 4.350 -0.010 0.000 0.301 483 T C 0.830 175.656 174.700 0.210 0.000 1.019 483 T CA 0.404 62.577 62.100 0.122 0.000 1.152 483 T CB 0.254 69.195 68.868 0.122 0.000 0.966 483 T HN 0.348 nan 8.240 nan 0.000 0.540 484 N N 0.699 119.548 118.700 0.248 0.000 2.267 484 N HA 0.372 5.106 4.740 -0.010 0.000 0.226 484 N C 0.510 176.208 175.510 0.313 0.000 1.314 484 N CA -0.082 53.151 53.050 0.306 0.000 0.887 484 N CB 0.348 38.952 38.487 0.194 0.000 1.120 484 N HN 0.766 nan 8.380 nan 0.000 0.440 485 G N -0.741 108.251 108.800 0.321 0.000 2.645 485 G HA2 0.587 4.541 3.960 -0.010 0.000 0.292 485 G HA3 0.587 4.541 3.960 -0.010 0.000 0.292 485 G C -1.467 173.564 174.900 0.218 0.000 1.415 485 G CA -0.744 44.528 45.100 0.286 0.000 0.785 485 G HN 0.605 nan 8.290 nan 0.000 0.483 486 I N -2.327 118.357 120.570 0.191 0.000 2.828 486 I HA 0.749 4.913 4.170 -0.010 0.000 0.302 486 I C -0.288 175.988 176.117 0.264 0.000 1.101 486 I CA -0.930 60.476 61.300 0.176 0.000 1.031 486 I CB 2.465 40.451 38.000 -0.024 0.000 1.231 486 I HN 0.513 nan 8.210 nan 0.000 0.427 487 T N 4.648 119.414 114.554 0.354 0.000 2.779 487 T HA 0.341 4.685 4.350 -0.010 0.000 0.296 487 T C -1.305 173.513 174.700 0.198 0.000 0.938 487 T CA -1.593 60.637 62.100 0.217 0.000 1.119 487 T CB 0.728 69.669 68.868 0.122 0.000 0.891 487 T HN 0.652 nan 8.240 nan 0.000 0.526 488 P HA 0.007 nan 4.420 nan 0.000 0.230 488 P C 1.065 178.333 177.300 -0.054 0.000 1.158 488 P CA 0.382 63.519 63.100 0.062 0.000 0.769 488 P CB 0.373 32.092 31.700 0.032 0.000 0.807 489 R N 0.458 120.879 120.500 -0.131 0.000 2.056 489 R HA 0.015 4.349 4.340 -0.010 0.000 0.227 489 R C 2.734 178.915 176.300 -0.199 0.000 1.149 489 R CA 1.528 57.506 56.100 -0.204 0.000 0.937 489 R CB -1.195 28.987 30.300 -0.196 0.000 0.835 489 R HN 0.056 nan 8.270 nan 0.000 0.430 490 R N -0.777 119.549 120.500 -0.292 0.000 2.075 490 R HA -0.109 4.225 4.340 -0.010 0.000 0.232 490 R C 1.026 176.967 176.300 -0.598 0.000 1.126 490 R CA 1.530 57.306 56.100 -0.539 0.000 0.963 490 R CB -0.167 29.629 30.300 -0.841 0.000 0.858 490 R HN 0.289 nan 8.270 nan 0.000 0.435 491 W N -0.015 121.240 121.300 -0.076 0.000 3.405 491 W HA 0.141 4.795 4.660 -0.011 0.000 0.300 491 W C 0.926 177.413 176.519 -0.053 0.000 1.286 491 W CA -0.671 56.628 57.345 -0.076 0.000 1.762 491 W CB 0.377 29.796 29.460 -0.068 0.000 1.087 491 W HN 0.232 nan 8.180 nan 0.000 0.703 492 L N -2.359 118.914 121.223 0.084 0.000 2.604 492 L HA 0.170 4.504 4.340 -0.010 0.000 0.150 492 L C 1.786 178.671 176.870 0.026 0.000 1.292 492 L CA 0.717 55.606 54.840 0.081 0.000 0.977 492 L CB -0.877 41.257 42.059 0.123 0.000 1.943 492 L HN -0.260 nan 8.230 nan 0.000 0.508 493 V N 1.312 121.220 119.914 -0.011 0.000 2.287 493 V HA -0.294 3.820 4.120 -0.010 0.000 0.248 493 V C 2.460 178.526 176.094 -0.047 0.000 1.053 493 V CA 2.575 64.858 62.300 -0.029 0.000 1.027 493 V CB -0.759 31.016 31.823 -0.079 0.000 0.646 493 V HN 0.528 nan 8.190 nan 0.000 0.447 494 L N 0.457 121.622 121.223 -0.096 0.000 2.027 494 L HA -0.187 4.147 4.340 -0.010 0.000 0.206 494 L C 2.491 179.296 176.870 -0.109 0.000 1.074 494 L CA 2.407 57.175 54.840 -0.121 0.000 0.745 494 L CB -0.268 41.669 42.059 -0.203 0.000 0.898 494 L HN 0.668 nan 8.230 nan 0.000 0.433 495 C N -1.848 117.382 119.300 -0.117 0.000 2.563 495 C HA 0.196 4.649 4.460 -0.010 0.000 0.268 495 C C 1.222 176.195 174.990 -0.028 0.000 1.365 495 C CA -0.291 58.678 59.018 -0.082 0.000 1.754 495 C CB -0.993 26.698 27.740 -0.082 0.000 1.932 495 C HN 0.590 nan 8.230 nan 0.000 0.536 496 N N 1.236 119.931 118.700 -0.008 0.000 2.703 496 N HA 0.271 5.005 4.740 -0.010 0.000 0.283 496 N C -1.661 173.862 175.510 0.022 0.000 1.851 496 N CA -1.612 51.446 53.050 0.012 0.000 0.826 496 N CB 0.757 39.260 38.487 0.028 0.000 1.239 496 N HN 0.258 nan 8.380 nan 0.000 0.495 497 P HA -0.083 nan 4.420 nan 0.000 0.216 497 P C 1.407 178.725 177.300 0.030 0.000 1.150 497 P CA 1.060 64.172 63.100 0.020 0.000 0.837 497 P CB 0.208 31.912 31.700 0.007 0.000 0.786 498 G N 0.521 109.333 108.800 0.021 0.000 2.440 498 G HA2 -0.253 3.701 3.960 -0.010 0.000 0.218 498 G HA3 -0.253 3.701 3.960 -0.010 0.000 0.218 498 G C 1.555 176.468 174.900 0.022 0.000 1.154 498 G CA 0.750 45.861 45.100 0.018 0.000 0.767 498 G HN 0.264 nan 8.290 nan 0.000 0.552 499 L N 1.149 122.388 121.223 0.026 0.000 2.072 499 L HA 0.313 4.647 4.340 -0.010 0.000 0.205 499 L C 3.030 179.939 176.870 0.065 0.000 1.079 499 L CA 1.947 56.804 54.840 0.028 0.000 0.752 499 L CB -0.701 41.374 42.059 0.027 0.000 0.906 499 L HN 0.214 nan 8.230 nan 0.000 0.436 500 A N -0.796 122.083 122.820 0.098 0.000 1.972 500 A HA -0.235 4.079 4.320 -0.010 0.000 0.219 500 A C 2.217 179.907 177.584 0.177 0.000 1.169 500 A CA 1.749 53.898 52.037 0.188 0.000 0.635 500 A CB -0.601 18.498 19.000 0.164 0.000 0.810 500 A HN 0.546 nan 8.150 nan 0.000 0.446 501 E N 0.778 121.040 120.200 0.102 0.000 2.028 501 E HA -0.151 4.193 4.350 -0.010 0.000 0.190 501 E C 1.872 178.515 176.600 0.072 0.000 0.984 501 E CA 1.575 58.024 56.400 0.081 0.000 0.800 501 E CB -0.522 29.207 29.700 0.048 0.000 0.758 501 E HN 0.717 nan 8.360 nan 0.000 0.448 502 I N -1.483 119.126 120.570 0.065 0.000 2.454 502 I HA -0.162 4.002 4.170 -0.010 0.000 0.254 502 I C 2.117 178.306 176.117 0.120 0.000 1.156 502 I CA 1.193 62.546 61.300 0.088 0.000 1.433 502 I CB -0.375 37.669 38.000 0.075 0.000 1.082 502 I HN 0.043 nan 8.210 nan 0.000 0.432 503 I N 1.841 122.459 120.570 0.080 0.000 2.233 503 I HA -0.146 4.018 4.170 -0.010 0.000 0.243 503 I C 3.036 179.095 176.117 -0.096 0.000 1.093 503 I CA 1.176 62.444 61.300 -0.055 0.000 1.380 503 I CB -0.455 37.406 38.000 -0.233 0.000 1.067 503 I HN 0.280 nan 8.210 nan 0.000 0.413 504 A N 0.542 123.405 122.820 0.072 0.000 1.940 504 A HA -0.245 4.069 4.320 -0.010 0.000 0.219 504 A C 2.162 179.773 177.584 0.046 0.000 1.176 504 A CA 1.721 53.854 52.037 0.160 0.000 0.631 504 A CB -0.629 18.492 19.000 0.202 0.000 0.814 504 A HN 0.432 nan 8.150 nan 0.000 0.446 505 E N -0.751 119.457 120.200 0.012 0.000 2.130 505 E HA -0.214 4.130 4.350 -0.010 0.000 0.196 505 E C 2.265 178.818 176.600 -0.077 0.000 0.998 505 E CA 1.282 57.672 56.400 -0.017 0.000 0.806 505 E CB -0.056 29.640 29.700 -0.007 0.000 0.738 505 E HN 0.492 nan 8.360 nan 0.000 0.459 506 R N 0.033 120.421 120.500 -0.187 0.000 2.105 506 R HA 0.078 4.411 4.340 -0.010 0.000 0.214 506 R C 2.281 178.483 176.300 -0.163 0.000 1.091 506 R CA 0.850 56.755 56.100 -0.325 0.000 1.007 506 R CB -0.140 29.606 30.300 -0.924 0.000 0.912 506 R HN 0.332 nan 8.270 nan 0.000 0.450 507 I N -3.000 117.494 120.570 -0.126 0.000 4.081 507 I HA 0.438 4.602 4.170 -0.010 0.000 0.333 507 I C 0.331 176.486 176.117 0.063 0.000 1.413 507 I CA 0.002 61.290 61.300 -0.020 0.000 1.110 507 I CB 0.830 38.805 38.000 -0.042 0.000 1.082 507 I HN 0.158 nan 8.210 nan 0.000 0.402 508 G N 2.231 111.079 108.800 0.080 0.000 2.728 508 G HA2 -0.206 3.748 3.960 -0.010 0.000 0.294 508 G HA3 -0.206 3.748 3.960 -0.010 0.000 0.294 508 G C -0.095 174.940 174.900 0.226 0.000 1.342 508 G CA 0.119 45.291 45.100 0.119 0.000 0.866 508 G HN 0.472 nan 8.290 nan 0.000 0.534 509 E N -0.372 119.911 120.200 0.139 0.000 2.472 509 E HA 0.079 4.423 4.350 -0.010 0.000 0.196 509 E C 1.849 178.405 176.600 -0.073 0.000 1.033 509 E CA 0.060 56.485 56.400 0.042 0.000 0.886 509 E CB 0.296 30.007 29.700 0.019 0.000 0.944 509 E HN 0.456 nan 8.360 nan 0.000 0.492 510 E N 0.856 121.084 120.200 0.047 0.000 2.219 510 E HA -0.212 4.132 4.350 -0.010 0.000 0.198 510 E C 1.790 178.388 176.600 -0.002 0.000 0.998 510 E CA 1.139 57.558 56.400 0.032 0.000 0.818 510 E CB -0.109 29.633 29.700 0.069 0.000 0.741 510 E HN 0.549 nan 8.360 nan 0.000 0.477 511 Y N -0.922 119.383 120.300 0.008 0.000 2.333 511 Y HA -0.052 4.493 4.550 -0.008 0.000 0.290 511 Y C 2.039 177.917 175.900 -0.038 0.000 1.144 511 Y CA 0.628 58.724 58.100 -0.006 0.000 1.228 511 Y CB -0.876 37.584 38.460 0.000 0.000 0.985 511 Y HN -0.082 nan 8.280 nan 0.000 0.542 512 I N 0.980 121.030 120.570 -0.866 0.000 2.423 512 I HA -0.248 3.916 4.170 -0.010 0.000 0.254 512 I C 1.574 177.419 176.117 -0.455 0.000 1.151 512 I CA 1.880 62.740 61.300 -0.734 0.000 1.421 512 I CB -0.402 37.092 38.000 -0.843 0.000 1.079 512 I HN 0.508 nan 8.210 nan 0.000 0.431 513 S N -2.106 113.442 115.700 -0.254 0.000 2.754 513 S HA 0.202 4.666 4.470 -0.010 0.000 0.247 513 S C 0.043 174.623 174.600 -0.033 0.000 1.031 513 S CA -0.534 57.597 58.200 -0.116 0.000 1.014 513 S CB 0.374 63.584 63.200 0.017 0.000 0.918 513 S HN 0.284 nan 8.310 nan 0.000 0.519 514 D N 0.658 121.046 120.400 -0.020 0.000 3.036 514 D HA 0.192 4.826 4.640 -0.010 0.000 0.244 514 D C 0.335 176.678 176.300 0.070 0.000 1.337 514 D CA -0.345 53.670 54.000 0.026 0.000 0.829 514 D CB 0.337 41.159 40.800 0.036 0.000 1.478 514 D HN 0.125 nan 8.370 nan 0.000 0.570 515 L N 1.192 122.457 121.223 0.069 0.000 2.265 515 L HA -0.027 4.307 4.340 -0.010 0.000 0.215 515 L C 1.481 178.405 176.870 0.090 0.000 1.117 515 L CA 1.615 56.527 54.840 0.120 0.000 0.782 515 L CB -0.074 42.047 42.059 0.103 0.000 0.914 515 L HN 0.272 nan 8.230 nan 0.000 0.441 516 D N -0.773 119.655 120.400 0.046 0.000 2.221 516 D HA -0.223 4.411 4.640 -0.010 0.000 0.204 516 D C 1.941 178.262 176.300 0.036 0.000 0.982 516 D CA 0.869 54.881 54.000 0.021 0.000 0.857 516 D CB 0.027 40.826 40.800 -0.002 0.000 0.934 516 D HN 0.541 nan 8.370 nan 0.000 0.475 517 Q N -0.032 119.808 119.800 0.066 0.000 2.443 517 Q HA -0.068 4.266 4.340 -0.010 0.000 0.213 517 Q C 2.223 178.246 176.000 0.037 0.000 0.982 517 Q CA 0.242 56.085 55.803 0.067 0.000 0.894 517 Q CB -0.010 28.797 28.738 0.115 0.000 0.947 517 Q HN 0.393 nan 8.270 nan 0.000 0.480 518 L N -0.070 121.171 121.223 0.030 0.000 2.353 518 L HA -0.179 4.155 4.340 -0.010 0.000 0.220 518 L C 2.227 179.096 176.870 -0.002 0.000 1.133 518 L CA 0.808 55.631 54.840 -0.028 0.000 0.798 518 L CB -0.303 41.752 42.059 -0.006 0.000 0.922 518 L HN 0.198 nan 8.230 nan 0.000 0.445 519 R N 0.301 120.809 120.500 0.013 0.000 2.159 519 R HA -0.175 4.159 4.340 -0.010 0.000 0.237 519 R C 2.119 178.427 176.300 0.013 0.000 1.131 519 R CA 1.094 57.202 56.100 0.014 0.000 0.982 519 R CB -0.157 30.147 30.300 0.006 0.000 0.868 519 R HN 0.368 nan 8.270 nan 0.000 0.453 520 K N 0.556 120.963 120.400 0.012 0.000 2.281 520 K HA -0.122 4.192 4.320 -0.010 0.000 0.203 520 K C 1.811 178.452 176.600 0.068 0.000 1.046 520 K CA 0.895 57.196 56.287 0.023 0.000 0.938 520 K CB -0.092 32.429 32.500 0.035 0.000 0.737 520 K HN 0.238 nan 8.250 nan 0.000 0.458 521 L N 0.572 121.828 121.223 0.056 0.000 2.456 521 L HA -0.150 4.184 4.340 -0.010 0.000 0.224 521 L C 1.902 178.850 176.870 0.130 0.000 1.148 521 L CA 0.075 54.973 54.840 0.097 0.000 0.825 521 L CB -0.265 41.812 42.059 0.030 0.000 0.937 521 L HN 0.130 nan 8.230 nan 0.000 0.450 522 L N 0.057 121.316 121.223 0.061 0.000 2.131 522 L HA -0.179 4.155 4.340 -0.010 0.000 0.210 522 L C 2.639 179.499 176.870 -0.017 0.000 1.092 522 L CA 1.880 56.740 54.840 0.034 0.000 0.759 522 L CB -0.779 41.285 42.059 0.008 0.000 0.903 522 L HN 0.342 nan 8.230 nan 0.000 0.435 523 S N -2.771 112.862 115.700 -0.112 0.000 2.660 523 S HA -0.045 4.419 4.470 -0.010 0.000 0.223 523 S C 1.069 175.403 174.600 -0.443 0.000 0.963 523 S CA 0.165 58.200 58.200 -0.275 0.000 0.932 523 S CB -0.516 62.463 63.200 -0.368 0.000 0.775 523 S HN 0.445 nan 8.310 nan 0.000 0.531 524 Y N -0.697 119.552 120.300 -0.085 0.000 2.500 524 Y HA 0.416 4.964 4.550 -0.004 0.000 0.246 524 Y C 1.883 177.840 175.900 0.094 0.000 1.146 524 Y CA -0.680 57.371 58.100 -0.081 0.000 1.230 524 Y CB 0.178 38.394 38.460 -0.406 0.000 1.214 524 Y HN 0.262 nan 8.280 nan 0.000 0.526 525 V N 0.472 120.495 119.914 0.182 0.000 2.720 525 V HA -0.220 3.894 4.120 -0.010 0.000 0.256 525 V C 0.908 177.079 176.094 0.129 0.000 1.082 525 V CA 2.309 64.710 62.300 0.168 0.000 1.101 525 V CB -0.014 31.865 31.823 0.093 0.000 0.693 525 V HN 0.336 nan 8.190 nan 0.000 0.479 526 D N -0.814 119.643 120.400 0.096 0.000 2.395 526 D HA 0.119 4.753 4.640 -0.010 0.000 0.213 526 D C 0.310 176.664 176.300 0.090 0.000 1.110 526 D CA -0.025 54.017 54.000 0.070 0.000 0.835 526 D CB 0.134 40.952 40.800 0.030 0.000 0.965 526 D HN 0.434 nan 8.370 nan 0.000 0.505 527 D N 1.508 122.000 120.400 0.153 0.000 2.336 527 D HA -0.024 4.610 4.640 -0.010 0.000 0.249 527 D C 1.244 177.653 176.300 0.182 0.000 1.213 527 D CA -0.015 54.095 54.000 0.183 0.000 0.870 527 D CB 1.544 42.527 40.800 0.306 0.000 1.076 527 D HN -0.211 nan 8.370 nan 0.000 0.483 528 E N 3.479 123.749 120.200 0.117 0.000 2.118 528 E HA -0.177 4.167 4.350 -0.010 0.000 0.195 528 E C 1.714 178.368 176.600 0.091 0.000 0.992 528 E CA 1.634 58.086 56.400 0.086 0.000 0.804 528 E CB -0.095 29.638 29.700 0.056 0.000 0.741 528 E HN 0.584 nan 8.360 nan 0.000 0.458 529 A N -0.289 122.599 122.820 0.114 0.000 1.877 529 A HA -0.150 4.164 4.320 -0.010 0.000 0.216 529 A C 2.281 179.949 177.584 0.141 0.000 1.186 529 A CA 1.421 53.522 52.037 0.107 0.000 0.620 529 A CB -1.024 18.041 19.000 0.108 0.000 0.822 529 A HN 0.454 nan 8.150 nan 0.000 0.443 530 F N 0.412 120.374 119.950 0.020 0.000 2.134 530 F HA -0.151 4.371 4.527 -0.009 0.000 0.299 530 F C 2.070 177.874 175.800 0.007 0.000 1.097 530 F CA 1.580 59.575 58.000 -0.008 0.000 1.264 530 F CB -0.101 38.900 39.000 0.002 0.000 1.001 530 F HN 0.164 nan 8.300 nan 0.000 0.479 531 I N 0.163 120.754 120.570 0.035 0.000 2.151 531 I HA -0.360 3.804 4.170 -0.010 0.000 0.243 531 I C 2.564 178.620 176.117 -0.103 0.000 1.080 531 I CA 1.668 62.932 61.300 -0.060 0.000 1.339 531 I CB -0.516 37.502 38.000 0.030 0.000 1.039 531 I HN 0.115 nan 8.210 nan 0.000 0.409 532 R N 0.934 121.404 120.500 -0.051 0.000 2.081 532 R HA -0.188 4.146 4.340 -0.010 0.000 0.235 532 R C 1.914 178.163 176.300 -0.086 0.000 1.131 532 R CA 1.859 57.929 56.100 -0.051 0.000 0.960 532 R CB -0.122 30.169 30.300 -0.016 0.000 0.856 532 R HN 0.295 nan 8.270 nan 0.000 0.436 533 D N -0.375 119.956 120.400 -0.115 0.000 2.097 533 D HA -0.124 4.510 4.640 -0.010 0.000 0.197 533 D C 1.945 178.121 176.300 -0.207 0.000 0.984 533 D CA 1.259 55.180 54.000 -0.133 0.000 0.826 533 D CB -0.238 40.503 40.800 -0.098 0.000 0.973 533 D HN 0.079 nan 8.370 nan 0.000 0.460 534 V N 1.574 121.264 119.914 -0.373 0.000 2.287 534 V HA -0.274 3.840 4.120 -0.010 0.000 0.248 534 V C 2.525 178.525 176.094 -0.157 0.000 1.053 534 V CA 2.022 64.117 62.300 -0.342 0.000 1.027 534 V CB -0.797 30.747 31.823 -0.465 0.000 0.646 534 V HN 0.199 nan 8.190 nan 0.000 0.447 535 A N -0.814 121.933 122.820 -0.122 0.000 1.969 535 A HA -0.227 4.087 4.320 -0.010 0.000 0.218 535 A C 2.345 179.891 177.584 -0.063 0.000 1.169 535 A CA 1.967 53.966 52.037 -0.064 0.000 0.635 535 A CB -0.431 18.535 19.000 -0.056 0.000 0.810 535 A HN 0.531 nan 8.150 nan 0.000 0.445 536 K N -0.236 120.122 120.400 -0.070 0.000 2.057 536 K HA -0.061 4.253 4.320 -0.010 0.000 0.206 536 K C 1.817 178.392 176.600 -0.043 0.000 1.050 536 K CA 1.427 57.682 56.287 -0.052 0.000 0.935 536 K CB -0.219 32.254 32.500 -0.046 0.000 0.715 536 K HN 0.228 nan 8.250 nan 0.000 0.439 537 V N 1.792 121.676 119.914 -0.050 0.000 2.343 537 V HA -0.255 3.859 4.120 -0.010 0.000 0.247 537 V C 2.367 178.450 176.094 -0.019 0.000 1.051 537 V CA 1.999 64.280 62.300 -0.032 0.000 1.036 537 V CB -0.463 31.336 31.823 -0.040 0.000 0.654 537 V HN 0.348 nan 8.190 nan 0.000 0.451 538 K N 0.583 120.969 120.400 -0.024 0.000 2.009 538 K HA -0.245 4.069 4.320 -0.010 0.000 0.210 538 K C 2.189 178.769 176.600 -0.034 0.000 1.049 538 K CA 1.990 58.270 56.287 -0.011 0.000 0.929 538 K CB -0.615 31.890 32.500 0.009 0.000 0.714 538 K HN 0.374 nan 8.250 nan 0.000 0.440 539 Q N 1.028 120.798 119.800 -0.050 0.000 2.096 539 Q HA -0.157 4.177 4.340 -0.010 0.000 0.204 539 Q C 1.714 177.696 176.000 -0.029 0.000 0.982 539 Q CA 2.143 57.907 55.803 -0.065 0.000 0.850 539 Q CB -0.152 28.549 28.738 -0.061 0.000 0.901 539 Q HN 0.552 nan 8.270 nan 0.000 0.422 540 E N -0.604 119.590 120.200 -0.010 0.000 2.072 540 E HA -0.150 4.194 4.350 -0.010 0.000 0.191 540 E C 1.766 178.393 176.600 0.045 0.000 0.985 540 E CA 0.958 57.367 56.400 0.015 0.000 0.801 540 E CB -0.085 29.621 29.700 0.011 0.000 0.750 540 E HN 0.422 nan 8.360 nan 0.000 0.452 541 N N 1.049 119.774 118.700 0.042 0.000 2.166 541 N HA -0.135 4.598 4.740 -0.010 0.000 0.186 541 N C 1.493 177.093 175.510 0.151 0.000 1.019 541 N CA 1.050 54.148 53.050 0.079 0.000 0.856 541 N CB -0.078 38.439 38.487 0.050 0.000 0.993 541 N HN 0.148 nan 8.380 nan 0.000 0.426 542 K N 0.553 121.011 120.400 0.097 0.000 2.057 542 K HA 0.036 4.350 4.320 -0.010 0.000 0.206 542 K C 2.107 178.863 176.600 0.259 0.000 1.050 542 K CA 0.613 56.995 56.287 0.158 0.000 0.935 542 K CB -0.128 32.190 32.500 -0.303 0.000 0.715 542 K HN 0.103 nan 8.250 nan 0.000 0.439 543 L N 1.205 122.508 121.223 0.133 0.000 2.046 543 L HA -0.183 4.151 4.340 -0.010 0.000 0.208 543 L C 2.618 179.585 176.870 0.162 0.000 1.077 543 L CA 1.276 56.193 54.840 0.129 0.000 0.747 543 L CB -0.315 41.784 42.059 0.067 0.000 0.896 543 L HN 0.160 nan 8.230 nan 0.000 0.432 544 K N -0.267 120.235 120.400 0.169 0.000 2.097 544 K HA -0.230 4.084 4.320 -0.010 0.000 0.206 544 K C 2.178 178.935 176.600 0.262 0.000 1.049 544 K CA 1.506 57.900 56.287 0.178 0.000 0.933 544 K CB -0.124 32.467 32.500 0.152 0.000 0.717 544 K HN 0.086 nan 8.250 nan 0.000 0.442 545 F N 1.114 121.165 119.950 0.168 0.000 2.163 545 F HA 0.029 4.550 4.527 -0.010 0.000 0.297 545 F C 1.996 177.942 175.800 0.244 0.000 1.094 545 F CA 1.090 59.206 58.000 0.192 0.000 1.290 545 F CB -0.462 38.651 39.000 0.189 0.000 1.017 545 F HN 0.071 nan 8.300 nan 0.000 0.483 546 A N 0.170 123.143 122.820 0.256 0.000 1.978 546 A HA -0.060 4.253 4.320 -0.010 0.000 0.220 546 A C 2.375 179.986 177.584 0.046 0.000 1.170 546 A CA 1.743 53.864 52.037 0.139 0.000 0.636 546 A CB -1.407 17.746 19.000 0.255 0.000 0.810 546 A HN 0.456 nan 8.150 nan 0.000 0.448 547 A N -1.422 121.444 122.820 0.078 0.000 1.872 547 A HA -0.020 4.294 4.320 -0.010 0.000 0.214 547 A C 2.107 179.705 177.584 0.024 0.000 1.187 547 A CA 1.448 53.513 52.037 0.047 0.000 0.614 547 A CB -0.866 18.174 19.000 0.068 0.000 0.826 547 A HN 0.731 nan 8.150 nan 0.000 0.442 548 Y N 0.807 121.055 120.300 -0.087 0.000 2.151 548 Y HA -0.224 4.320 4.550 -0.010 0.000 0.284 548 Y C 1.884 177.698 175.900 -0.143 0.000 1.166 548 Y CA 1.921 59.956 58.100 -0.110 0.000 1.163 548 Y CB -0.351 38.048 38.460 -0.103 0.000 0.974 548 Y HN 0.212 nan 8.280 nan 0.000 0.511 549 L N 0.046 121.220 121.223 -0.082 0.000 2.127 549 L HA -0.223 4.111 4.340 -0.010 0.000 0.211 549 L C 2.230 179.075 176.870 -0.042 0.000 1.089 549 L CA 1.833 56.630 54.840 -0.071 0.000 0.757 549 L CB -0.459 41.503 42.059 -0.162 0.000 0.899 549 L HN 0.383 nan 8.230 nan 0.000 0.434 550 E N -0.710 119.457 120.200 -0.056 0.000 2.190 550 E HA -0.086 4.258 4.350 -0.010 0.000 0.191 550 E C 2.210 178.757 176.600 -0.088 0.000 0.978 550 E CA 0.187 56.575 56.400 -0.020 0.000 0.839 550 E CB 0.158 29.849 29.700 -0.015 0.000 0.787 550 E HN 0.436 nan 8.360 nan 0.000 0.473 551 R N 1.163 121.563 120.500 -0.166 0.000 2.092 551 R HA -0.132 4.202 4.340 -0.010 0.000 0.226 551 R C 1.986 178.098 176.300 -0.313 0.000 1.140 551 R CA 1.453 57.426 56.100 -0.212 0.000 0.910 551 R CB -0.135 30.028 30.300 -0.228 0.000 0.822 551 R HN -0.021 nan 8.270 nan 0.000 0.433 552 E N -1.177 118.678 120.200 -0.576 0.000 2.435 552 E HA -0.061 4.283 4.350 -0.010 0.000 0.195 552 E C 0.376 176.474 176.600 -0.836 0.000 1.029 552 E CA 0.787 56.729 56.400 -0.763 0.000 0.865 552 E CB 0.389 29.417 29.700 -1.120 0.000 0.833 552 E HN 0.385 nan 8.360 nan 0.000 0.510 553 Y N -0.764 119.420 120.300 -0.193 0.000 2.610 553 Y HA 0.251 4.795 4.550 -0.010 0.000 0.254 553 Y C -0.019 175.855 175.900 -0.044 0.000 1.110 553 Y CA -0.610 57.439 58.100 -0.086 0.000 1.238 553 Y CB 0.839 39.263 38.460 -0.060 0.000 1.322 553 Y HN -0.293 nan 8.280 nan 0.000 0.547 554 K N 0.730 121.165 120.400 0.058 0.000 3.148 554 K HA -0.118 4.196 4.320 -0.010 0.000 0.267 554 K C -0.764 175.907 176.600 0.118 0.000 0.996 554 K CA 0.828 57.166 56.287 0.085 0.000 0.737 554 K CB -2.265 30.274 32.500 0.065 0.000 1.308 554 K HN 0.238 nan 8.250 nan 0.000 0.470 555 V N -2.003 117.989 119.914 0.129 0.000 2.483 555 V HA 0.412 4.526 4.120 -0.010 0.000 0.297 555 V C 0.414 176.616 176.094 0.180 0.000 1.027 555 V CA -0.981 61.371 62.300 0.087 0.000 0.855 555 V CB 1.526 33.365 31.823 0.027 0.000 0.995 555 V HN 0.321 nan 8.190 nan 0.000 0.424 556 H N 5.747 124.811 119.070 -0.010 0.000 2.722 556 H HA 0.729 5.279 4.556 -0.010 0.000 0.328 556 H C -0.026 175.297 175.328 -0.008 0.000 1.067 556 H CA -0.315 55.730 56.048 -0.004 0.000 1.447 556 H CB 1.554 31.317 29.762 0.002 0.000 1.469 556 H HN 0.889 nan 8.280 nan 0.000 0.544 557 I N -0.156 120.494 120.570 0.134 0.000 2.894 557 I HA 0.342 4.506 4.170 -0.010 0.000 0.302 557 I C -0.877 175.322 176.117 0.136 0.000 1.188 557 I CA -1.348 60.009 61.300 0.095 0.000 1.014 557 I CB 2.363 40.388 38.000 0.042 0.000 1.242 557 I HN 0.366 nan 8.210 nan 0.000 0.430 558 N N 5.089 123.876 118.700 0.146 0.000 2.415 558 N HA 0.416 5.150 4.740 -0.010 0.000 0.246 558 N C -2.034 173.615 175.510 0.232 0.000 1.078 558 N CA -2.257 50.884 53.050 0.151 0.000 0.942 558 N CB 1.084 39.634 38.487 0.104 0.000 1.140 558 N HN 0.379 nan 8.380 nan 0.000 0.501 559 P HA -0.032 nan 4.420 nan 0.000 0.228 559 P C -0.038 177.236 177.300 -0.043 0.000 1.151 559 P CA 1.140 64.310 63.100 0.117 0.000 0.770 559 P CB 0.150 31.902 31.700 0.087 0.000 0.786 560 N N -1.352 117.359 118.700 0.019 0.000 2.373 560 N HA 0.007 4.741 4.740 -0.010 0.000 0.181 560 N C 0.510 176.041 175.510 0.034 0.000 1.082 560 N CA -0.115 52.935 53.050 0.001 0.000 0.885 560 N CB 0.081 38.583 38.487 0.025 0.000 0.977 560 N HN 0.183 nan 8.380 nan 0.000 0.462 561 S N 0.394 116.127 115.700 0.054 0.000 2.624 561 S HA 0.195 4.659 4.470 -0.010 0.000 0.263 561 S C 0.020 174.574 174.600 -0.076 0.000 1.287 561 S CA -0.845 57.379 58.200 0.041 0.000 0.990 561 S CB 1.125 64.383 63.200 0.096 0.000 0.950 561 S HN 0.160 nan 8.310 nan 0.000 0.561 562 L N 1.796 122.834 121.223 -0.309 0.000 2.361 562 L HA 0.384 4.718 4.340 -0.010 0.000 0.278 562 L C -0.890 175.935 176.870 -0.076 0.000 1.113 562 L CA -0.596 53.847 54.840 -0.663 0.000 0.849 562 L CB -0.140 41.239 42.059 -1.134 0.000 1.155 562 L HN 0.704 nan 8.230 nan 0.000 0.452 563 F N 4.218 124.025 119.950 -0.239 0.000 2.405 563 F HA 0.090 4.612 4.527 -0.009 0.000 0.358 563 F C 0.438 176.160 175.800 -0.131 0.000 1.151 563 F CA -0.829 57.102 58.000 -0.116 0.000 1.161 563 F CB 0.551 39.534 39.000 -0.029 0.000 1.245 563 F HN 0.528 nan 8.300 nan 0.000 0.545 564 D N 4.938 125.339 120.400 0.002 0.000 2.396 564 D HA 0.241 4.875 4.640 -0.010 0.000 0.225 564 D C -1.023 175.214 176.300 -0.105 0.000 1.121 564 D CA -0.044 53.907 54.000 -0.082 0.000 0.853 564 D CB 1.356 42.092 40.800 -0.107 0.000 1.043 564 D HN 0.268 nan 8.370 nan 0.000 0.500 565 V N 2.885 122.718 119.914 -0.135 0.000 2.656 565 V HA 0.564 4.678 4.120 -0.010 0.000 0.307 565 V C -1.436 174.498 176.094 -0.267 0.000 1.051 565 V CA -0.685 61.516 62.300 -0.165 0.000 0.893 565 V CB 1.924 33.703 31.823 -0.073 0.000 0.999 565 V HN 0.524 nan 8.190 nan 0.000 0.426 566 Q N 4.476 124.134 119.800 -0.238 0.000 2.394 566 Q HA 0.647 4.981 4.340 -0.010 0.000 0.261 566 Q C -1.443 174.379 176.000 -0.296 0.000 1.023 566 Q CA -0.627 55.020 55.803 -0.261 0.000 0.720 566 Q CB 1.840 30.454 28.738 -0.206 0.000 1.241 566 Q HN 1.117 nan 8.270 nan 0.000 0.483 567 V N 1.876 121.598 119.914 -0.319 0.000 2.448 567 V HA 0.861 4.975 4.120 -0.010 0.000 0.295 567 V C -0.807 174.992 176.094 -0.492 0.000 1.025 567 V CA -0.546 61.365 62.300 -0.649 0.000 0.859 567 V CB 1.253 32.426 31.823 -1.082 0.000 0.988 567 V HN 0.806 nan 8.190 nan 0.000 0.431 568 K N 2.469 122.629 120.400 -0.399 0.000 3.040 568 K HA 0.370 4.684 4.320 -0.010 0.000 0.300 568 K C -1.294 175.301 176.600 -0.007 0.000 1.092 568 K CA -1.117 55.127 56.287 -0.073 0.000 0.831 568 K CB 0.867 33.313 32.500 -0.090 0.000 1.469 568 K HN 0.466 nan 8.250 nan 0.000 0.365 569 R N 0.909 121.455 120.500 0.076 0.000 2.698 569 R HA 0.157 4.491 4.340 -0.010 0.000 0.266 569 R C 0.376 176.701 176.300 0.041 0.000 1.026 569 R CA -0.266 55.895 56.100 0.102 0.000 1.102 569 R CB -0.175 30.212 30.300 0.145 0.000 0.978 569 R HN 0.466 nan 8.270 nan 0.000 0.436 570 I N 4.240 124.848 120.570 0.064 0.000 2.436 570 I HA 0.091 4.255 4.170 -0.010 0.000 0.289 570 I C 0.730 176.845 176.117 -0.004 0.000 1.083 570 I CA 0.545 61.840 61.300 -0.009 0.000 1.372 570 I CB -0.273 37.712 38.000 -0.025 0.000 1.408 570 I HN 0.360 nan 8.210 nan 0.000 0.516 571 H N 5.284 124.259 119.070 -0.159 0.000 3.046 571 H HA 0.226 4.776 4.556 -0.010 0.000 0.363 571 H C 0.364 175.571 175.328 -0.202 0.000 1.203 571 H CA -0.386 55.615 56.048 -0.079 0.000 1.169 571 H CB 1.816 31.523 29.762 -0.092 0.000 1.851 571 H HN 0.588 nan 8.280 nan 0.000 0.546 572 E N 1.943 122.212 120.200 0.115 0.000 2.110 572 E HA -0.226 4.118 4.350 -0.010 0.000 0.193 572 E C 1.329 177.725 176.600 -0.339 0.000 0.988 572 E CA 1.747 58.167 56.400 0.033 0.000 0.804 572 E CB -0.053 29.826 29.700 0.298 0.000 0.745 572 E HN 0.585 nan 8.360 nan 0.000 0.458 573 Y N 0.866 120.741 120.300 -0.708 0.000 2.352 573 Y HA 0.004 4.547 4.550 -0.010 0.000 0.292 573 Y C 1.521 177.149 175.900 -0.453 0.000 1.136 573 Y CA 0.774 58.170 58.100 -1.172 0.000 1.227 573 Y CB -0.105 37.685 38.460 -1.117 0.000 0.991 573 Y HN -0.214 nan 8.280 nan 0.000 0.545 574 K N 0.833 120.740 120.400 -0.821 0.000 2.432 574 K HA 0.049 4.363 4.320 -0.010 0.000 0.196 574 K C 0.095 176.519 176.600 -0.294 0.000 1.038 574 K CA 0.476 56.412 56.287 -0.584 0.000 0.986 574 K CB -0.074 32.071 32.500 -0.593 0.000 0.782 574 K HN 0.278 nan 8.250 nan 0.000 0.485 575 R N 0.614 120.972 120.500 -0.236 0.000 3.264 575 R HA -0.230 4.104 4.340 -0.010 0.000 0.251 575 R C 0.257 176.478 176.300 -0.131 0.000 0.971 575 R CA 0.160 56.177 56.100 -0.140 0.000 0.658 575 R CB -1.698 28.539 30.300 -0.106 0.000 1.095 575 R HN 0.292 nan 8.270 nan 0.000 0.443 576 Q N 0.294 120.015 119.800 -0.130 0.000 2.226 576 Q HA -0.032 4.302 4.340 -0.010 0.000 0.204 576 Q C 2.009 177.960 176.000 -0.080 0.000 0.975 576 Q CA 1.286 57.024 55.803 -0.108 0.000 0.866 576 Q CB 0.056 28.735 28.738 -0.099 0.000 0.915 576 Q HN 0.587 nan 8.270 nan 0.000 0.440 577 L N -0.588 120.592 121.223 -0.071 0.000 2.131 577 L HA -0.178 4.156 4.340 -0.010 0.000 0.210 577 L C 1.965 178.840 176.870 0.008 0.000 1.092 577 L CA 0.519 55.333 54.840 -0.043 0.000 0.759 577 L CB -0.339 41.706 42.059 -0.024 0.000 0.903 577 L HN 0.309 nan 8.230 nan 0.000 0.435 578 L N -0.020 121.197 121.223 -0.009 0.000 2.093 578 L HA -0.216 4.118 4.340 -0.010 0.000 0.208 578 L C 2.001 178.921 176.870 0.083 0.000 1.085 578 L CA 1.853 56.699 54.840 0.011 0.000 0.755 578 L CB -0.853 41.102 42.059 -0.174 0.000 0.904 578 L HN 0.279 nan 8.230 nan 0.000 0.435 579 N N -1.706 117.008 118.700 0.023 0.000 2.120 579 N HA -0.228 4.506 4.740 -0.010 0.000 0.188 579 N C 1.949 177.541 175.510 0.137 0.000 1.024 579 N CA 1.590 54.730 53.050 0.150 0.000 0.852 579 N CB -0.129 38.374 38.487 0.028 0.000 1.003 579 N HN 0.485 nan 8.380 nan 0.000 0.424 580 C N 0.564 119.880 119.300 0.028 0.000 2.413 580 C HA -0.078 4.376 4.460 -0.010 0.000 0.276 580 C C 2.591 177.574 174.990 -0.011 0.000 1.248 580 C CA 0.399 59.387 59.018 -0.050 0.000 1.742 580 C CB -1.261 26.398 27.740 -0.135 0.000 2.017 580 C HN 0.512 nan 8.230 nan 0.000 0.481 581 L N -0.322 120.957 121.223 0.095 0.000 2.083 581 L HA -0.204 4.130 4.340 -0.010 0.000 0.209 581 L C 2.771 179.786 176.870 0.242 0.000 1.083 581 L CA 1.804 56.750 54.840 0.176 0.000 0.752 581 L CB -1.031 41.218 42.059 0.316 0.000 0.899 581 L HN 0.594 nan 8.230 nan 0.000 0.433 582 H N -0.082 119.091 119.070 0.172 0.000 2.357 582 H HA -0.126 4.424 4.556 -0.010 0.000 0.301 582 H C 2.217 177.530 175.328 -0.026 0.000 1.082 582 H CA 1.827 57.889 56.048 0.024 0.000 1.342 582 H CB 0.331 30.028 29.762 -0.108 0.000 1.389 582 H HN 0.103 nan 8.280 nan 0.000 0.511 583 V N 1.565 121.390 119.914 -0.148 0.000 2.332 583 V HA -0.271 3.843 4.120 -0.010 0.000 0.248 583 V C 2.825 178.840 176.094 -0.133 0.000 1.055 583 V CA 1.886 64.067 62.300 -0.199 0.000 1.038 583 V CB -0.506 31.248 31.823 -0.115 0.000 0.651 583 V HN 0.388 nan 8.190 nan 0.000 0.450 584 I N -0.225 120.300 120.570 -0.075 0.000 2.394 584 I HA -0.199 3.965 4.170 -0.010 0.000 0.251 584 I C 2.475 178.630 176.117 0.064 0.000 1.136 584 I CA 1.547 62.867 61.300 0.033 0.000 1.425 584 I CB -0.604 37.392 38.000 -0.006 0.000 1.079 584 I HN 0.325 nan 8.210 nan 0.000 0.425 585 T N 1.152 115.698 114.554 -0.014 0.000 2.708 585 T HA -0.143 4.201 4.350 -0.010 0.000 0.266 585 T C 1.884 176.523 174.700 -0.101 0.000 1.037 585 T CA 1.175 63.261 62.100 -0.023 0.000 1.146 585 T CB -0.248 68.625 68.868 0.008 0.000 0.865 585 T HN 0.082 nan 8.240 nan 0.000 0.435 586 L N 0.177 121.264 121.223 -0.227 0.000 2.042 586 L HA -0.040 4.294 4.340 -0.010 0.000 0.210 586 L C 2.111 178.930 176.870 -0.084 0.000 1.076 586 L CA 1.606 56.317 54.840 -0.215 0.000 0.749 586 L CB -0.969 40.895 42.059 -0.326 0.000 0.893 586 L HN 0.365 nan 8.230 nan 0.000 0.432 587 Y N 0.121 120.347 120.300 -0.123 0.000 2.145 587 Y HA -0.279 4.265 4.550 -0.010 0.000 0.286 587 Y C 2.419 178.290 175.900 -0.048 0.000 1.145 587 Y CA 1.819 59.887 58.100 -0.054 0.000 1.148 587 Y CB -0.096 38.375 38.460 0.019 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.454 119.099 118.700 -0.092 0.000 2.166 588 N HA -0.137 4.597 4.740 -0.010 0.000 0.186 588 N C 1.799 177.193 175.510 -0.193 0.000 1.019 588 N CA 1.456 54.394 53.050 -0.187 0.000 0.856 588 N CB -0.347 38.090 38.487 -0.084 0.000 0.993 588 N HN 0.451 nan 8.380 nan 0.000 0.426 589 R N 0.347 120.759 120.500 -0.147 0.000 2.092 589 R HA 0.093 4.427 4.340 -0.010 0.000 0.231 589 R C 2.175 178.387 176.300 -0.147 0.000 1.119 589 R CA 0.691 56.714 56.100 -0.128 0.000 0.970 589 R CB -0.180 30.054 30.300 -0.108 0.000 0.864 589 R HN 0.246 nan 8.270 nan 0.000 0.440 590 I N 0.874 121.334 120.570 -0.183 0.000 2.252 590 I HA -0.241 3.923 4.170 -0.010 0.000 0.245 590 I C 2.044 178.042 176.117 -0.199 0.000 1.102 590 I CA 1.117 62.311 61.300 -0.177 0.000 1.385 590 I CB -0.158 37.738 38.000 -0.174 0.000 1.064 590 I HN 0.017 nan 8.210 nan 0.000 0.414 591 K N 0.934 121.151 120.400 -0.306 0.000 2.209 591 K HA -0.193 4.121 4.320 -0.010 0.000 0.204 591 K C 1.993 178.494 176.600 -0.165 0.000 1.048 591 K CA 1.118 57.241 56.287 -0.274 0.000 0.940 591 K CB -0.283 31.974 32.500 -0.405 0.000 0.729 591 K HN 0.328 nan 8.250 nan 0.000 0.451 592 K N 1.135 121.444 120.400 -0.151 0.000 2.116 592 K HA -0.070 4.244 4.320 -0.010 0.000 0.203 592 K C -0.018 176.536 176.600 -0.077 0.000 1.052 592 K CA 0.982 57.208 56.287 -0.102 0.000 0.952 592 K CB 0.389 32.832 32.500 -0.095 0.000 0.729 592 K HN 0.062 nan 8.250 nan 0.000 0.446 593 E N 0.153 120.305 120.200 -0.080 0.000 3.386 593 E HA 0.118 4.462 4.350 -0.010 0.000 0.236 593 E C -2.376 174.189 176.600 -0.057 0.000 1.227 593 E CA -1.582 54.784 56.400 -0.056 0.000 0.970 593 E CB 1.750 31.423 29.700 -0.045 0.000 1.343 593 E HN 0.095 nan 8.360 nan 0.000 0.397 594 P HA -0.186 nan 4.420 nan 0.000 0.215 594 P C 0.312 177.597 177.300 -0.025 0.000 1.157 594 P CA 1.348 64.418 63.100 -0.050 0.000 0.874 594 P CB 0.168 31.843 31.700 -0.041 0.000 0.790 595 N N -1.185 117.509 118.700 -0.010 0.000 2.362 595 N HA -0.001 4.733 4.740 -0.010 0.000 0.204 595 N C 0.475 176.004 175.510 0.031 0.000 1.166 595 N CA 0.103 53.161 53.050 0.012 0.000 0.831 595 N CB -0.139 38.355 38.487 0.011 0.000 1.008 595 N HN 0.072 nan 8.380 nan 0.000 0.472 596 K N 1.034 121.446 120.400 0.020 0.000 2.143 596 K HA 0.158 4.472 4.320 -0.010 0.000 0.272 596 K C -0.925 175.718 176.600 0.072 0.000 1.001 596 K CA -0.586 55.727 56.287 0.043 0.000 0.915 596 K CB 0.652 33.155 32.500 0.006 0.000 1.047 596 K HN -0.045 nan 8.250 nan 0.000 0.458 597 F N 4.310 124.247 119.950 -0.021 0.000 2.412 597 F HA 0.275 4.796 4.527 -0.010 0.000 0.348 597 F C -0.468 175.319 175.800 -0.022 0.000 1.102 597 F CA -0.164 57.825 58.000 -0.019 0.000 1.196 597 F CB 0.721 39.713 39.000 -0.014 0.000 1.144 597 F HN 0.194 nan 8.300 nan 0.000 0.541 598 V N 3.895 123.173 119.914 -1.060 0.000 2.888 598 V HA 0.523 4.637 4.120 -0.010 0.000 0.309 598 V C -0.900 174.568 176.094 -1.044 0.000 1.114 598 V CA -1.228 60.601 62.300 -0.784 0.000 0.940 598 V CB 0.904 32.499 31.823 -0.381 0.000 1.021 598 V HN 0.595 nan 8.190 nan 0.000 0.426 599 V N 4.556 124.119 119.914 -0.585 0.000 2.493 599 V HA 0.183 4.297 4.120 -0.010 0.000 0.292 599 V C -1.847 174.089 176.094 -0.264 0.000 1.016 599 V CA -0.415 61.693 62.300 -0.320 0.000 1.097 599 V CB 0.358 32.122 31.823 -0.098 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.247 nan 4.420 nan 0.000 0.265 600 P C -0.333 176.892 177.300 -0.125 0.000 1.193 600 P CA 0.181 63.208 63.100 -0.121 0.000 0.765 600 P CB 0.454 32.134 31.700 -0.033 0.000 0.823 601 R N 1.385 121.821 120.500 -0.106 0.000 2.725 601 R HA 0.553 4.887 4.340 -0.010 0.000 0.277 601 R C -0.827 175.447 176.300 -0.044 0.000 0.987 601 R CA -0.640 55.399 56.100 -0.102 0.000 0.901 601 R CB 2.059 32.280 30.300 -0.132 0.000 1.207 601 R HN 0.274 nan 8.270 nan 0.000 0.463 602 T N 2.054 116.604 114.554 -0.007 0.000 2.842 602 T HA 0.235 4.579 4.350 -0.010 0.000 0.308 602 T C -0.392 174.249 174.700 -0.099 0.000 1.041 602 T CA -0.447 61.623 62.100 -0.050 0.000 0.964 602 T CB 1.133 69.950 68.868 -0.085 0.000 0.972 602 T HN 0.138 nan 8.240 nan 0.000 0.460 603 V N 6.003 125.857 119.914 -0.100 0.000 2.385 603 V HA 0.400 4.514 4.120 -0.010 0.000 0.269 603 V C 0.099 176.120 176.094 -0.122 0.000 1.043 603 V CA -0.331 61.908 62.300 -0.102 0.000 0.906 603 V CB 0.578 32.354 31.823 -0.080 0.000 0.995 603 V HN 0.849 nan 8.190 nan 0.000 0.467 604 M N 6.689 126.202 119.600 -0.145 0.000 2.167 604 M HA 0.604 5.078 4.480 -0.010 0.000 0.333 604 M C -0.965 175.219 176.300 -0.193 0.000 1.030 604 M CA -0.150 55.051 55.300 -0.165 0.000 0.963 604 M CB 1.900 34.398 32.600 -0.170 0.000 1.589 604 M HN 0.422 nan 8.290 nan 0.000 0.431 605 I N 2.054 122.486 120.570 -0.229 0.000 2.466 605 I HA 0.788 4.952 4.170 -0.010 0.000 0.289 605 I C 0.061 175.836 176.117 -0.570 0.000 1.026 605 I CA -0.587 60.546 61.300 -0.278 0.000 1.078 605 I CB 2.245 40.168 38.000 -0.128 0.000 1.249 605 I HN 0.793 nan 8.210 nan 0.000 0.429 606 G N 3.098 111.540 108.800 -0.597 0.000 2.690 606 G HA2 0.843 4.797 3.960 -0.010 0.000 0.293 606 G HA3 0.843 4.797 3.960 -0.010 0.000 0.293 606 G C -1.015 173.594 174.900 -0.485 0.000 1.399 606 G CA -0.810 43.800 45.100 -0.817 0.000 0.890 606 G HN 0.968 nan 8.290 nan 0.000 0.485 607 G N -0.311 108.359 108.800 -0.217 0.000 2.352 607 G HA2 0.419 4.373 3.960 -0.010 0.000 0.305 607 G HA3 0.419 4.373 3.960 -0.010 0.000 0.305 607 G C -1.291 173.751 174.900 0.236 0.000 1.537 607 G CA -1.035 44.107 45.100 0.069 0.000 0.959 607 G HN 0.614 nan 8.290 nan 0.000 0.668 608 K N -0.136 120.397 120.400 0.222 0.000 2.098 608 K HA 0.765 5.079 4.320 -0.010 0.000 0.258 608 K C 0.190 176.941 176.600 0.252 0.000 0.973 608 K CA -0.262 56.178 56.287 0.255 0.000 0.898 608 K CB 2.104 34.658 32.500 0.089 0.000 1.057 608 K HN 0.858 nan 8.250 nan 0.000 0.447 609 A N 1.312 124.313 122.820 0.302 0.000 2.324 609 A HA 0.650 4.963 4.320 -0.010 0.000 0.330 609 A C -0.488 177.286 177.584 0.315 0.000 1.165 609 A CA -0.755 51.403 52.037 0.202 0.000 0.813 609 A CB 1.080 20.110 19.000 0.050 0.000 1.197 609 A HN 0.772 nan 8.150 nan 0.000 0.484 610 A N 3.419 126.417 122.820 0.297 0.000 2.511 610 A HA 0.477 4.791 4.320 -0.010 0.000 0.242 610 A C -1.424 176.250 177.584 0.150 0.000 1.069 610 A CA -0.812 51.395 52.037 0.284 0.000 0.763 610 A CB -0.366 18.778 19.000 0.240 0.000 1.001 610 A HN 0.598 nan 8.150 nan 0.000 0.498 611 P HA -0.154 nan 4.420 nan 0.000 0.217 611 P C 1.284 178.572 177.300 -0.019 0.000 1.151 611 P CA 2.045 65.087 63.100 -0.098 0.000 0.849 611 P CB 0.214 31.799 31.700 -0.192 0.000 0.787 612 G N -3.103 105.710 108.800 0.022 0.000 3.189 612 G HA2 -0.065 3.889 3.960 -0.010 0.000 0.225 612 G HA3 -0.065 3.889 3.960 -0.010 0.000 0.225 612 G C -0.257 174.677 174.900 0.057 0.000 1.159 612 G CA -0.114 45.002 45.100 0.025 0.000 0.763 612 G HN 0.309 nan 8.290 nan 0.000 0.549 613 Y N 1.743 121.986 120.300 -0.095 0.000 2.691 613 Y HA 0.187 4.731 4.550 -0.010 0.000 0.338 613 Y C 1.648 177.523 175.900 -0.042 0.000 1.148 613 Y CA -1.112 56.909 58.100 -0.132 0.000 1.430 613 Y CB 0.116 38.469 38.460 -0.178 0.000 1.303 613 Y HN 0.304 nan 8.280 nan 0.000 0.499 614 H N 4.043 123.212 119.070 0.166 0.000 2.289 614 H HA -0.246 4.304 4.556 -0.010 0.000 0.296 614 H C 1.830 177.163 175.328 0.009 0.000 1.091 614 H CA 2.537 58.629 56.048 0.072 0.000 1.274 614 H CB 0.294 30.098 29.762 0.070 0.000 1.364 614 H HN 0.718 nan 8.280 nan 0.000 0.490 615 M N 1.023 120.632 119.600 0.014 0.000 2.149 615 M HA -0.094 4.380 4.480 -0.010 0.000 0.261 615 M C 2.529 178.577 176.300 -0.420 0.000 1.064 615 M CA 1.860 57.077 55.300 -0.139 0.000 1.102 615 M CB -0.742 31.899 32.600 0.068 0.000 1.369 615 M HN 0.356 nan 8.290 nan 0.000 0.408 616 A N -0.496 121.808 122.820 -0.861 0.000 1.933 616 A HA -0.180 4.133 4.320 -0.010 0.000 0.218 616 A C 2.199 179.565 177.584 -0.363 0.000 1.175 616 A CA 1.803 53.371 52.037 -0.782 0.000 0.628 616 A CB -0.616 17.711 19.000 -1.122 0.000 0.814 616 A HN 0.584 nan 8.150 nan 0.000 0.444 617 K N -1.116 119.120 120.400 -0.274 0.000 2.155 617 K HA -0.010 4.304 4.320 -0.010 0.000 0.203 617 K C 1.852 178.388 176.600 -0.107 0.000 1.052 617 K CA 1.086 57.299 56.287 -0.122 0.000 0.948 617 K CB -0.174 32.307 32.500 -0.032 0.000 0.728 617 K HN 0.347 nan 8.250 nan 0.000 0.448 618 M N 0.432 119.922 119.600 -0.184 0.000 2.254 618 M HA -0.053 4.421 4.480 -0.010 0.000 0.265 618 M C 2.062 178.304 176.300 -0.096 0.000 1.066 618 M CA 1.328 56.570 55.300 -0.097 0.000 1.123 618 M CB -0.527 32.008 32.600 -0.109 0.000 1.388 618 M HN 0.118 nan 8.290 nan 0.000 0.425 619 I N -0.164 120.311 120.570 -0.159 0.000 2.315 619 I HA -0.284 3.880 4.170 -0.010 0.000 0.248 619 I C 2.263 178.262 176.117 -0.196 0.000 1.117 619 I CA 0.983 62.182 61.300 -0.169 0.000 1.404 619 I CB -0.248 37.649 38.000 -0.171 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.647 121.084 120.570 -0.222 0.000 2.226 620 I HA -0.293 3.871 4.170 -0.010 0.000 0.245 620 I C 2.589 178.442 176.117 -0.439 0.000 1.100 620 I CA 1.187 62.274 61.300 -0.355 0.000 1.374 620 I CB -0.291 37.469 38.000 -0.400 0.000 1.057 620 I HN 0.148 nan 8.210 nan 0.000 0.413 621 K N 1.601 121.755 120.400 -0.410 0.000 2.057 621 K HA -0.151 4.163 4.320 -0.010 0.000 0.207 621 K C 2.041 178.486 176.600 -0.258 0.000 1.049 621 K CA 1.502 57.466 56.287 -0.538 0.000 0.931 621 K CB -0.576 31.363 32.500 -0.935 0.000 0.714 621 K HN 0.234 nan 8.250 nan 0.000 0.440 622 L N 0.345 121.447 121.223 -0.201 0.000 2.046 622 L HA -0.155 4.179 4.340 -0.010 0.000 0.208 622 L C 2.159 178.785 176.870 -0.407 0.000 1.077 622 L CA 1.587 56.123 54.840 -0.507 0.000 0.747 622 L CB -0.243 41.436 42.059 -0.633 0.000 0.896 622 L HN 0.267 nan 8.230 nan 0.000 0.432 623 I N -0.227 120.167 120.570 -0.294 0.000 2.179 623 I HA -0.323 3.841 4.170 -0.010 0.000 0.242 623 I C 2.619 178.632 176.117 -0.174 0.000 1.088 623 I CA 1.913 63.093 61.300 -0.200 0.000 1.357 623 I CB -0.626 37.346 38.000 -0.048 0.000 1.051 623 I HN 0.416 nan 8.210 nan 0.000 0.409 624 T N -0.772 113.652 114.554 -0.216 0.000 2.867 624 T HA -0.056 4.288 4.350 -0.010 0.000 0.268 624 T C 1.972 176.602 174.700 -0.116 0.000 1.057 624 T CA 0.920 62.921 62.100 -0.164 0.000 1.136 624 T CB -0.436 68.286 68.868 -0.243 0.000 0.874 624 T HN 0.340 nan 8.240 nan 0.000 0.466 625 A N 1.536 124.282 122.820 -0.124 0.000 1.930 625 A HA 0.149 4.463 4.320 -0.010 0.000 0.217 625 A C 2.375 179.961 177.584 0.002 0.000 1.175 625 A CA 1.236 53.269 52.037 -0.008 0.000 0.627 625 A CB -0.794 18.292 19.000 0.144 0.000 0.815 625 A HN 0.588 nan 8.150 nan 0.000 0.443 626 I N -0.348 120.111 120.570 -0.186 0.000 2.226 626 I HA -0.192 3.972 4.170 -0.010 0.000 0.245 626 I C 2.707 178.770 176.117 -0.091 0.000 1.100 626 I CA 1.136 62.289 61.300 -0.245 0.000 1.374 626 I CB -0.622 37.118 38.000 -0.432 0.000 1.057 626 I HN 0.394 nan 8.210 nan 0.000 0.413 627 G N 0.357 109.106 108.800 -0.086 0.000 2.422 627 G HA2 -0.254 3.700 3.960 -0.010 0.000 0.218 627 G HA3 -0.254 3.700 3.960 -0.010 0.000 0.218 627 G C 1.242 176.142 174.900 0.000 0.000 1.146 627 G CA 0.898 45.964 45.100 -0.057 0.000 0.769 627 G HN 0.273 nan 8.290 nan 0.000 0.547 628 D N 0.074 120.508 120.400 0.057 0.000 2.123 628 D HA -0.098 4.536 4.640 -0.010 0.000 0.196 628 D C 2.723 179.152 176.300 0.214 0.000 0.992 628 D CA 0.802 54.901 54.000 0.164 0.000 0.833 628 D CB -0.273 40.572 40.800 0.073 0.000 0.954 628 D HN 0.239 nan 8.370 nan 0.000 0.455 629 V N 0.116 120.089 119.914 0.098 0.000 2.302 629 V HA -0.145 3.968 4.120 -0.010 0.000 0.243 629 V C 2.599 178.673 176.094 -0.033 0.000 1.036 629 V CA 0.834 63.149 62.300 0.025 0.000 1.020 629 V CB -0.356 31.474 31.823 0.012 0.000 0.657 629 V HN 0.035 nan 8.190 nan 0.000 0.453 630 V N 1.007 120.838 119.914 -0.138 0.000 2.343 630 V HA -0.209 3.905 4.120 -0.010 0.000 0.247 630 V C 2.141 178.207 176.094 -0.045 0.000 1.051 630 V CA 2.013 64.228 62.300 -0.143 0.000 1.036 630 V CB -0.894 30.831 31.823 -0.162 0.000 0.654 630 V HN 0.575 nan 8.190 nan 0.000 0.451 631 N N -0.279 118.341 118.700 -0.134 0.000 2.512 631 N HA -0.086 4.648 4.740 -0.010 0.000 0.183 631 N C 1.194 176.434 175.510 -0.450 0.000 1.073 631 N CA 0.910 53.782 53.050 -0.296 0.000 0.911 631 N CB -0.253 37.983 38.487 -0.418 0.000 0.964 631 N HN 0.687 nan 8.380 nan 0.000 0.447 632 H N -1.376 117.694 119.070 -0.000 0.000 2.674 632 H HA 0.196 4.746 4.556 -0.010 0.000 0.274 632 H C -0.475 174.869 175.328 0.026 0.000 1.121 632 H CA -0.488 55.561 56.048 0.001 0.000 1.132 632 H CB 0.601 30.352 29.762 -0.018 0.000 1.606 632 H HN -0.003 nan 8.280 nan 0.000 0.558 633 D N 1.721 122.200 120.400 0.131 0.000 2.339 633 D HA 0.036 4.670 4.640 -0.010 0.000 0.241 633 D C -1.633 174.728 176.300 0.101 0.000 1.183 633 D CA -1.954 52.137 54.000 0.151 0.000 0.859 633 D CB 1.627 42.597 40.800 0.283 0.000 1.067 633 D HN 0.087 nan 8.370 nan 0.000 0.484 634 P HA -0.163 nan 4.420 nan 0.000 0.216 634 P C 1.588 178.912 177.300 0.040 0.000 1.153 634 P CA 0.564 63.694 63.100 0.050 0.000 0.858 634 P CB 0.397 32.122 31.700 0.041 0.000 0.789 635 V N -0.747 119.190 119.914 0.038 0.000 2.407 635 V HA -0.181 3.933 4.120 -0.010 0.000 0.248 635 V C 2.415 178.515 176.094 0.010 0.000 1.055 635 V CA 1.577 63.886 62.300 0.014 0.000 1.049 635 V CB -1.077 30.742 31.823 -0.007 0.000 0.662 635 V HN -0.013 nan 8.190 nan 0.000 0.455 636 V N -0.197 119.739 119.914 0.037 0.000 2.358 636 V HA 0.076 4.190 4.120 -0.010 0.000 0.246 636 V C 1.775 177.881 176.094 0.020 0.000 1.047 636 V CA 1.564 63.886 62.300 0.036 0.000 1.035 636 V CB -1.314 30.577 31.823 0.114 0.000 0.658 636 V HN 0.754 nan 8.190 nan 0.000 0.452 637 G N 1.367 110.182 108.800 0.026 0.000 2.547 637 G HA2 -0.391 3.563 3.960 -0.010 0.000 0.271 637 G HA3 -0.391 3.563 3.960 -0.010 0.000 0.271 637 G C 0.187 175.094 174.900 0.012 0.000 1.209 637 G CA 0.529 45.641 45.100 0.019 0.000 0.959 637 G HN 0.738 nan 8.290 nan 0.000 0.563 638 D N -0.175 120.234 120.400 0.015 0.000 2.336 638 D HA 0.290 4.924 4.640 -0.010 0.000 0.228 638 D C 1.861 178.162 176.300 0.003 0.000 1.120 638 D CA 0.257 54.266 54.000 0.016 0.000 0.839 638 D CB 0.117 40.937 40.800 0.033 0.000 0.932 638 D HN 0.555 nan 8.370 nan 0.000 0.509 639 R N -0.613 119.878 120.500 -0.014 0.000 2.153 639 R HA 0.209 4.543 4.340 -0.010 0.000 0.218 639 R C -0.163 176.102 176.300 -0.058 0.000 1.072 639 R CA 0.321 56.391 56.100 -0.051 0.000 0.990 639 R CB 0.162 30.415 30.300 -0.077 0.000 0.889 639 R HN 0.208 nan 8.270 nan 0.000 0.452 640 L N 0.682 121.887 121.223 -0.030 0.000 2.505 640 L HA 0.399 4.733 4.340 -0.010 0.000 0.266 640 L C -1.630 175.223 176.870 -0.027 0.000 0.954 640 L CA -0.549 54.272 54.840 -0.032 0.000 0.852 640 L CB 1.832 43.883 42.059 -0.012 0.000 1.282 640 L HN -0.190 nan 8.230 nan 0.000 0.403 641 R N 3.909 124.382 120.500 -0.045 0.000 2.575 641 R HA 0.740 5.073 4.340 -0.010 0.000 0.293 641 R C -1.582 174.673 176.300 -0.076 0.000 0.983 641 R CA -0.776 55.288 56.100 -0.061 0.000 0.887 641 R CB 2.312 32.579 30.300 -0.055 0.000 1.184 641 R HN 0.406 nan 8.270 nan 0.000 0.445 642 V N 5.081 124.945 119.914 -0.082 0.000 2.350 642 V HA 0.459 4.573 4.120 -0.010 0.000 0.285 642 V C -0.212 175.842 176.094 -0.067 0.000 1.014 642 V CA -0.679 61.573 62.300 -0.081 0.000 0.831 642 V CB 1.412 33.182 31.823 -0.088 0.000 1.000 642 V HN 0.516 nan 8.190 nan 0.000 0.433 643 I N 4.890 125.419 120.570 -0.069 0.000 2.474 643 I HA 0.460 4.624 4.170 -0.010 0.000 0.294 643 I C -0.659 175.438 176.117 -0.033 0.000 1.005 643 I CA -0.423 60.847 61.300 -0.049 0.000 1.113 643 I CB 1.915 39.866 38.000 -0.081 0.000 1.289 643 I HN 0.545 nan 8.210 nan 0.000 0.436 644 F N 7.058 126.943 119.950 -0.108 0.000 2.361 644 F HA 0.503 5.024 4.527 -0.010 0.000 0.364 644 F C -0.713 175.020 175.800 -0.112 0.000 1.120 644 F CA -0.803 57.133 58.000 -0.106 0.000 1.102 644 F CB 0.605 39.544 39.000 -0.102 0.000 1.183 644 F HN 0.128 nan 8.300 nan 0.000 0.476 645 L N 5.768 126.597 121.223 -0.656 0.000 2.456 645 L HA 0.133 4.467 4.340 -0.010 0.000 0.277 645 L C 0.380 176.983 176.870 -0.446 0.000 1.124 645 L CA 0.236 54.819 54.840 -0.429 0.000 0.880 645 L CB 0.013 41.909 42.059 -0.272 0.000 1.192 645 L HN 0.618 nan 8.230 nan 0.000 0.463 646 E N 3.336 123.412 120.200 -0.207 0.000 2.354 646 E HA 0.006 4.350 4.350 -0.010 0.000 0.269 646 E C 0.478 177.134 176.600 0.094 0.000 1.036 646 E CA -0.263 56.161 56.400 0.041 0.000 0.876 646 E CB 0.316 30.005 29.700 -0.018 0.000 1.009 646 E HN 0.539 nan 8.360 nan 0.000 0.416 647 N N 2.650 121.471 118.700 0.202 0.000 2.725 647 N HA -0.283 4.451 4.740 -0.010 0.000 0.251 647 N C -1.556 174.053 175.510 0.166 0.000 1.031 647 N CA 0.512 53.677 53.050 0.192 0.000 0.720 647 N CB -1.520 37.097 38.487 0.216 0.000 0.930 647 N HN 0.475 nan 8.380 nan 0.000 0.543 648 Y N 1.495 121.806 120.300 0.018 0.000 2.721 648 Y HA 0.171 4.715 4.550 -0.010 0.000 0.329 648 Y C 1.153 177.072 175.900 0.031 0.000 1.211 648 Y CA 0.589 58.684 58.100 -0.008 0.000 1.512 648 Y CB 0.300 38.721 38.460 -0.065 0.000 1.249 648 Y HN 0.380 nan 8.280 nan 0.000 0.549 649 R N 2.460 122.642 120.500 -0.529 0.000 2.844 649 R HA 0.494 4.828 4.340 -0.010 0.000 0.264 649 R C -0.368 175.591 176.300 -0.569 0.000 1.077 649 R CA -0.633 55.231 56.100 -0.393 0.000 0.953 649 R CB 0.337 30.609 30.300 -0.047 0.000 1.272 649 R HN 0.348 nan 8.270 nan 0.000 0.447 650 V N 1.114 120.735 119.914 -0.489 0.000 2.287 650 V HA -0.280 3.833 4.120 -0.010 0.000 0.248 650 V C 2.579 178.545 176.094 -0.214 0.000 1.053 650 V CA 2.801 64.861 62.300 -0.400 0.000 1.027 650 V CB -0.775 30.764 31.823 -0.474 0.000 0.646 650 V HN 0.930 nan 8.190 nan 0.000 0.447 651 S N 0.126 115.733 115.700 -0.154 0.000 2.399 651 S HA -0.190 4.274 4.470 -0.010 0.000 0.231 651 S C 1.918 176.473 174.600 -0.075 0.000 1.022 651 S CA 1.716 59.855 58.200 -0.101 0.000 0.983 651 S CB -0.535 62.640 63.200 -0.041 0.000 0.803 651 S HN 0.401 nan 8.310 nan 0.000 0.480 652 L N 1.820 123.002 121.223 -0.067 0.000 2.179 652 L HA 0.366 4.700 4.340 -0.010 0.000 0.208 652 L C 2.621 179.497 176.870 0.010 0.000 1.096 652 L CA 1.277 56.117 54.840 -0.001 0.000 0.779 652 L CB -1.236 40.880 42.059 0.096 0.000 0.922 652 L HN 0.338 nan 8.230 nan 0.000 0.443 653 A N -0.630 122.169 122.820 -0.036 0.000 1.902 653 A HA -0.227 4.087 4.320 -0.010 0.000 0.217 653 A C 2.125 179.761 177.584 0.086 0.000 1.181 653 A CA 1.772 53.867 52.037 0.097 0.000 0.623 653 A CB -0.601 18.441 19.000 0.069 0.000 0.818 653 A HN 0.586 nan 8.150 nan 0.000 0.443 654 E N -0.386 119.845 120.200 0.051 0.000 2.265 654 E HA -0.180 4.164 4.350 -0.010 0.000 0.196 654 E C 1.872 178.437 176.600 -0.059 0.000 0.996 654 E CA 1.274 57.663 56.400 -0.019 0.000 0.832 654 E CB -0.063 29.540 29.700 -0.162 0.000 0.756 654 E HN 0.632 nan 8.360 nan 0.000 0.491 655 K N -0.041 120.307 120.400 -0.087 0.000 2.141 655 K HA 0.032 4.346 4.320 -0.010 0.000 0.202 655 K C 2.136 178.557 176.600 -0.299 0.000 1.045 655 K CA 0.410 56.631 56.287 -0.110 0.000 0.971 655 K CB 0.076 32.516 32.500 -0.099 0.000 0.795 655 K HN -0.048 nan 8.250 nan 0.000 0.459 656 V N 1.813 121.448 119.914 -0.465 0.000 2.591 656 V HA -0.101 4.013 4.120 -0.010 0.000 0.249 656 V C 1.854 177.686 176.094 -0.436 0.000 1.053 656 V CA 1.129 62.914 62.300 -0.858 0.000 1.068 656 V CB -0.147 31.268 31.823 -0.679 0.000 0.689 656 V HN 0.237 nan 8.190 nan 0.000 0.462 657 I N 0.700 121.074 120.570 -0.327 0.000 2.226 657 I HA -0.128 4.036 4.170 -0.010 0.000 0.245 657 I C -0.290 175.701 176.117 -0.210 0.000 1.100 657 I CA 1.617 62.655 61.300 -0.437 0.000 1.374 657 I CB -1.415 36.208 38.000 -0.629 0.000 1.057 657 I HN 0.369 nan 8.210 nan 0.000 0.413 658 P HA -0.093 nan 4.420 nan 0.000 0.226 658 P C 0.908 178.204 177.300 -0.007 0.000 1.153 658 P CA 1.118 64.191 63.100 -0.044 0.000 0.777 658 P CB 0.070 31.754 31.700 -0.026 0.000 0.794 659 A N -1.250 121.549 122.820 -0.036 0.000 2.275 659 A HA 0.491 4.805 4.320 -0.010 0.000 0.212 659 A C 1.113 178.814 177.584 0.195 0.000 1.201 659 A CA 0.038 52.120 52.037 0.074 0.000 0.843 659 A CB -0.612 18.445 19.000 0.095 0.000 0.873 659 A HN 0.184 nan 8.150 nan 0.000 0.492 660 A N -0.235 122.683 122.820 0.164 0.000 2.340 660 A HA 0.505 4.819 4.320 -0.010 0.000 0.268 660 A C 0.323 178.053 177.584 0.243 0.000 1.100 660 A CA -0.205 51.992 52.037 0.267 0.000 0.803 660 A CB 0.412 19.657 19.000 0.410 0.000 1.043 660 A HN 0.253 nan 8.150 nan 0.000 0.488 661 D N 0.314 120.851 120.400 0.229 0.000 2.431 661 D HA 0.134 4.768 4.640 -0.010 0.000 0.235 661 D C 0.020 176.526 176.300 0.343 0.000 0.980 661 D CA 0.664 54.842 54.000 0.297 0.000 0.912 661 D CB 0.288 41.158 40.800 0.116 0.000 1.056 661 D HN 0.360 nan 8.370 nan 0.000 0.494 662 L N 1.160 122.466 121.223 0.137 0.000 2.356 662 L HA 0.310 4.644 4.340 -0.010 0.000 0.277 662 L C -0.753 175.989 176.870 -0.212 0.000 0.996 662 L CA -0.307 54.533 54.840 0.000 0.000 0.822 662 L CB 2.048 44.072 42.059 -0.059 0.000 1.256 662 L HN -0.170 nan 8.230 nan 0.000 0.413 663 S N 4.246 119.734 115.700 -0.353 0.000 2.422 663 S HA 0.322 4.786 4.470 -0.010 0.000 0.308 663 S C -0.414 173.893 174.600 -0.489 0.000 1.097 663 S CA -0.694 57.050 58.200 -0.760 0.000 1.099 663 S CB 0.657 63.364 63.200 -0.821 0.000 0.976 663 S HN 0.549 nan 8.310 nan 0.000 0.471 664 E N 4.149 124.070 120.200 -0.466 0.000 2.044 664 E HA 0.205 4.549 4.350 -0.010 0.000 0.282 664 E C -0.554 175.916 176.600 -0.216 0.000 1.031 664 E CA -0.413 55.840 56.400 -0.245 0.000 0.824 664 E CB 0.962 30.550 29.700 -0.186 0.000 1.076 664 E HN 0.592 nan 8.360 nan 0.000 0.395 665 Q N 2.779 122.508 119.800 -0.119 0.000 2.965 665 Q HA 0.264 4.597 4.340 -0.010 0.000 0.288 665 Q C 0.628 176.609 176.000 -0.033 0.000 0.974 665 Q CA -0.136 55.615 55.803 -0.086 0.000 0.849 665 Q CB 0.238 28.939 28.738 -0.062 0.000 1.280 665 Q HN 0.616 nan 8.270 nan 0.000 0.441 666 I N -1.632 118.906 120.570 -0.054 0.000 3.736 666 I HA 0.272 4.436 4.170 -0.010 0.000 0.338 666 I C 0.422 176.486 176.117 -0.089 0.000 1.558 666 I CA -0.652 60.627 61.300 -0.034 0.000 1.147 666 I CB 0.316 38.289 38.000 -0.044 0.000 1.275 666 I HN 0.002 nan 8.210 nan 0.000 0.454 667 S N 0.408 116.058 115.700 -0.083 0.000 2.579 667 S HA 0.205 4.669 4.470 -0.010 0.000 0.275 667 S C 0.550 175.133 174.600 -0.028 0.000 1.345 667 S CA -0.301 57.872 58.200 -0.046 0.000 1.031 667 S CB 0.458 63.684 63.200 0.043 0.000 0.892 667 S HN 0.385 nan 8.310 nan 0.000 0.529 668 T N 2.711 117.284 114.554 0.031 0.000 2.902 668 T HA 0.401 4.745 4.350 -0.010 0.000 0.301 668 T C 0.747 175.455 174.700 0.014 0.000 1.012 668 T CA 0.219 62.340 62.100 0.036 0.000 1.151 668 T CB 0.050 69.013 68.868 0.159 0.000 0.946 668 T HN 1.021 nan 8.240 nan 0.000 0.542 669 A N 2.679 125.474 122.820 -0.041 0.000 2.580 669 A HA 0.435 4.749 4.320 -0.010 0.000 0.244 669 A C 1.651 179.224 177.584 -0.018 0.000 1.045 669 A CA 0.344 52.353 52.037 -0.046 0.000 0.761 669 A CB -0.927 18.033 19.000 -0.066 0.000 0.962 669 A HN 1.726 nan 8.150 nan 0.000 0.512 670 G N 1.373 110.161 108.800 -0.020 0.000 2.176 670 G HA2 -0.240 3.714 3.960 -0.010 0.000 0.232 670 G HA3 -0.240 3.714 3.960 -0.010 0.000 0.232 670 G C 0.871 175.751 174.900 -0.033 0.000 0.986 670 G CA 1.118 46.206 45.100 -0.019 0.000 0.643 670 G HN 2.007 nan 8.290 nan 0.000 0.522 671 T N -2.527 112.001 114.554 -0.042 0.000 3.018 671 T HA 0.406 4.750 4.350 -0.010 0.000 0.246 671 T C 0.756 175.271 174.700 -0.310 0.000 1.026 671 T CA 1.055 63.054 62.100 -0.169 0.000 1.081 671 T CB 0.544 69.352 68.868 -0.099 0.000 0.970 671 T HN 0.251 nan 8.240 nan 0.000 0.475 672 E N 1.653 121.807 120.200 -0.077 0.000 1.996 672 E HA 0.663 5.007 4.350 -0.010 0.000 0.280 672 E C 1.200 177.736 176.600 -0.107 0.000 1.092 672 E CA 0.041 56.443 56.400 0.004 0.000 0.862 672 E CB 0.651 30.420 29.700 0.115 0.000 1.066 672 E HN 0.355 nan 8.360 nan 0.000 0.396 673 A N 3.370 126.048 122.820 -0.237 0.000 1.915 673 A HA -0.262 4.052 4.320 -0.010 0.000 0.220 673 A C 1.999 179.446 177.584 -0.228 0.000 1.198 673 A CA 2.443 54.204 52.037 -0.461 0.000 0.647 673 A CB -0.286 18.223 19.000 -0.818 0.000 0.825 673 A HN 0.608 nan 8.150 nan 0.000 0.456 674 S N -4.139 111.491 115.700 -0.116 0.000 3.916 674 S HA 0.448 4.912 4.470 -0.010 0.000 0.231 674 S C 0.702 175.289 174.600 -0.021 0.000 1.161 674 S CA 1.375 59.554 58.200 -0.035 0.000 0.938 674 S CB -0.150 63.055 63.200 0.007 0.000 1.170 674 S HN 2.332 nan 8.310 nan 0.000 0.508 675 G N 0.349 109.141 108.800 -0.012 0.000 2.705 675 G HA2 -0.049 3.905 3.960 -0.010 0.000 0.686 675 G HA3 -0.049 3.905 3.960 -0.010 0.000 0.686 675 G C 0.242 175.121 174.900 -0.034 0.000 1.285 675 G CA 0.448 45.538 45.100 -0.016 0.000 0.800 675 G HN 1.339 nan 8.290 nan 0.000 0.611 676 T N -1.967 112.551 114.554 -0.059 0.000 3.029 676 T HA 0.380 4.724 4.350 -0.010 0.000 0.256 676 T C 2.367 176.967 174.700 -0.168 0.000 0.914 676 T CA 1.239 63.275 62.100 -0.106 0.000 0.880 676 T CB 0.293 69.087 68.868 -0.124 0.000 1.246 676 T HN 1.890 nan 8.240 nan 0.000 0.523 677 G N 3.167 111.896 108.800 -0.118 0.000 2.442 677 G HA2 -0.271 3.683 3.960 -0.010 0.000 0.219 677 G HA3 -0.271 3.683 3.960 -0.010 0.000 0.219 677 G C 1.459 176.408 174.900 0.082 0.000 1.141 677 G CA 1.190 46.244 45.100 -0.077 0.000 0.763 677 G HN 0.830 nan 8.290 nan 0.000 0.554 678 N N 0.166 118.891 118.700 0.043 0.000 2.094 678 N HA -0.169 4.565 4.740 -0.010 0.000 0.191 678 N C 2.215 177.729 175.510 0.007 0.000 1.023 678 N CA 1.425 54.502 53.050 0.045 0.000 0.857 678 N CB -0.368 38.099 38.487 -0.034 0.000 1.013 678 N HN 0.352 nan 8.380 nan 0.000 0.426 679 M N 0.757 120.295 119.600 -0.104 0.000 2.175 679 M HA -0.031 4.443 4.480 -0.010 0.000 0.264 679 M C 2.012 178.263 176.300 -0.083 0.000 1.063 679 M CA 1.447 56.669 55.300 -0.131 0.000 1.119 679 M CB -0.081 32.449 32.600 -0.116 0.000 1.377 679 M HN 0.115 nan 8.290 nan 0.000 0.415 680 K N 0.052 120.330 120.400 -0.202 0.000 2.057 680 K HA -0.114 4.200 4.320 -0.010 0.000 0.207 680 K C 1.705 178.188 176.600 -0.194 0.000 1.049 680 K CA 1.407 57.508 56.287 -0.310 0.000 0.931 680 K CB -0.302 31.780 32.500 -0.698 0.000 0.714 680 K HN 0.151 nan 8.250 nan 0.000 0.440 681 F N 1.094 120.973 119.950 -0.118 0.000 2.171 681 F HA -0.117 4.403 4.527 -0.011 0.000 0.300 681 F C 2.542 178.319 175.800 -0.040 0.000 1.090 681 F CA 1.180 59.136 58.000 -0.073 0.000 1.293 681 F CB -0.271 38.674 39.000 -0.093 0.000 1.013 681 F HN 0.006 nan 8.300 nan 0.000 0.486 682 M N -0.532 119.156 119.600 0.148 0.000 2.175 682 M HA -0.164 4.310 4.480 -0.010 0.000 0.264 682 M C 2.034 178.394 176.300 0.100 0.000 1.063 682 M CA 1.506 56.868 55.300 0.104 0.000 1.119 682 M CB -0.182 32.474 32.600 0.092 0.000 1.377 682 M HN 0.254 nan 8.290 nan 0.000 0.415 683 L N 0.802 122.079 121.223 0.090 0.000 2.291 683 L HA -0.043 4.291 4.340 -0.010 0.000 0.214 683 L C 1.215 178.135 176.870 0.083 0.000 1.120 683 L CA 1.522 56.423 54.840 0.101 0.000 0.799 683 L CB -0.554 41.574 42.059 0.114 0.000 0.925 683 L HN 0.341 nan 8.230 nan 0.000 0.446 684 N N -0.108 118.630 118.700 0.063 0.000 2.251 684 N HA 0.177 4.911 4.740 -0.010 0.000 0.217 684 N C 0.849 176.397 175.510 0.064 0.000 1.124 684 N CA 0.776 53.857 53.050 0.051 0.000 0.843 684 N CB 0.549 39.042 38.487 0.010 0.000 1.024 684 N HN 0.398 nan 8.380 nan 0.000 0.501 685 G N 0.478 109.323 108.800 0.075 0.000 2.142 685 G HA2 -0.202 3.752 3.960 -0.010 0.000 0.225 685 G HA3 -0.202 3.752 3.960 -0.010 0.000 0.225 685 G C -0.012 174.964 174.900 0.126 0.000 1.015 685 G CA 0.150 45.298 45.100 0.079 0.000 0.716 685 G HN 0.530 nan 8.290 nan 0.000 0.508 686 A N -0.347 122.555 122.820 0.138 0.000 2.325 686 A HA 0.889 5.203 4.320 -0.010 0.000 0.333 686 A C 0.315 177.916 177.584 0.028 0.000 1.155 686 A CA -0.650 51.489 52.037 0.168 0.000 0.814 686 A CB 1.115 20.275 19.000 0.266 0.000 1.206 686 A HN 0.691 nan 8.150 nan 0.000 0.482 687 L N 0.799 122.000 121.223 -0.037 0.000 2.399 687 L HA 0.470 4.803 4.340 -0.010 0.000 0.265 687 L C 0.153 176.890 176.870 -0.221 0.000 1.089 687 L CA -0.372 54.338 54.840 -0.216 0.000 0.802 687 L CB 1.654 43.477 42.059 -0.394 0.000 1.180 687 L HN 0.701 nan 8.230 nan 0.000 0.454 688 T N 2.780 117.074 114.554 -0.434 0.000 2.797 688 T HA 0.473 4.817 4.350 -0.010 0.000 0.279 688 T C -0.454 174.066 174.700 -0.299 0.000 0.991 688 T CA -0.261 61.542 62.100 -0.494 0.000 0.979 688 T CB 1.586 69.946 68.868 -0.847 0.000 0.943 688 T HN 0.363 nan 8.240 nan 0.000 0.444 689 I N 2.875 123.374 120.570 -0.119 0.000 2.355 689 I HA 0.727 4.891 4.170 -0.010 0.000 0.288 689 I C 0.011 176.252 176.117 0.206 0.000 0.999 689 I CA 0.046 61.399 61.300 0.088 0.000 1.163 689 I CB 0.332 38.313 38.000 -0.032 0.000 1.316 689 I HN 0.792 nan 8.210 nan 0.000 0.454 690 G N 3.945 112.956 108.800 0.352 0.000 2.559 690 G HA2 0.449 4.403 3.960 -0.010 0.000 0.291 690 G HA3 0.449 4.403 3.960 -0.010 0.000 0.291 690 G C -0.924 173.931 174.900 -0.075 0.000 1.424 690 G CA -0.370 44.868 45.100 0.231 0.000 0.786 690 G HN 0.575 nan 8.290 nan 0.000 0.485 691 T N -1.483 112.890 114.554 -0.300 0.000 2.847 691 T HA 0.519 4.863 4.350 -0.010 0.000 0.279 691 T C 0.710 175.303 174.700 -0.177 0.000 0.984 691 T CA -0.676 61.163 62.100 -0.435 0.000 0.988 691 T CB 1.149 69.766 68.868 -0.418 0.000 1.040 691 T HN 0.257 nan 8.240 nan 0.000 0.528 692 M N 2.820 122.324 119.600 -0.161 0.000 3.436 692 M HA 0.326 4.800 4.480 -0.010 0.000 0.240 692 M C -0.449 175.802 176.300 -0.082 0.000 1.469 692 M CA -0.117 55.126 55.300 -0.097 0.000 1.622 692 M CB -1.724 30.825 32.600 -0.085 0.000 1.098 692 M HN 0.729 nan 8.290 nan 0.000 0.568 693 D N -0.090 120.268 120.400 -0.070 0.000 2.575 693 D HA 0.680 5.313 4.640 -0.010 0.000 0.236 693 D C 0.742 177.021 176.300 -0.035 0.000 1.075 693 D CA 0.672 54.643 54.000 -0.050 0.000 0.860 693 D CB 1.747 42.518 40.800 -0.049 0.000 1.475 693 D HN 0.593 nan 8.370 nan 0.000 0.474 694 G N 1.670 110.456 108.800 -0.024 0.000 2.627 694 G HA2 -0.261 3.693 3.960 -0.010 0.000 0.312 694 G HA3 -0.261 3.693 3.960 -0.010 0.000 0.312 694 G C 1.061 175.953 174.900 -0.013 0.000 1.299 694 G CA 1.131 46.221 45.100 -0.017 0.000 0.989 694 G HN 1.059 nan 8.290 nan 0.000 0.547 695 A N -0.415 122.394 122.820 -0.019 0.000 2.168 695 A HA 0.045 4.358 4.320 -0.010 0.000 0.215 695 A C 2.139 179.659 177.584 -0.106 0.000 1.152 695 A CA 1.967 53.986 52.037 -0.030 0.000 0.716 695 A CB -0.478 18.493 19.000 -0.049 0.000 0.794 695 A HN 0.633 nan 8.150 nan 0.000 0.465 696 N N 0.500 119.150 118.700 -0.083 0.000 2.137 696 N HA -0.153 4.581 4.740 -0.010 0.000 0.190 696 N C 1.602 177.006 175.510 -0.176 0.000 1.017 696 N CA 1.616 54.620 53.050 -0.076 0.000 0.859 696 N CB -0.646 37.849 38.487 0.012 0.000 1.002 696 N HN 0.291 nan 8.380 nan 0.000 0.428 697 V N 1.298 121.144 119.914 -0.114 0.000 2.287 697 V HA -0.223 3.891 4.120 -0.010 0.000 0.248 697 V C 1.937 177.960 176.094 -0.119 0.000 1.053 697 V CA 1.729 63.958 62.300 -0.118 0.000 1.027 697 V CB -0.512 31.273 31.823 -0.063 0.000 0.646 697 V HN 0.367 nan 8.190 nan 0.000 0.447 698 E N -0.609 119.571 120.200 -0.033 0.000 2.158 698 E HA -0.117 4.227 4.350 -0.010 0.000 0.191 698 E C 2.197 178.887 176.600 0.151 0.000 0.982 698 E CA 0.986 57.440 56.400 0.089 0.000 0.823 698 E CB -0.188 29.656 29.700 0.239 0.000 0.766 698 E HN 0.545 nan 8.360 nan 0.000 0.468 699 M N 0.518 120.067 119.600 -0.085 0.000 2.132 699 M HA -0.125 4.349 4.480 -0.010 0.000 0.263 699 M C 2.479 178.463 176.300 -0.527 0.000 1.065 699 M CA 1.504 56.655 55.300 -0.248 0.000 1.122 699 M CB -0.160 32.182 32.600 -0.430 0.000 1.365 699 M HN 0.141 nan 8.290 nan 0.000 0.411 700 A N -0.160 122.090 122.820 -0.950 0.000 1.930 700 A HA -0.207 4.107 4.320 -0.010 0.000 0.217 700 A C 1.991 179.347 177.584 -0.380 0.000 1.175 700 A CA 1.890 53.323 52.037 -1.006 0.000 0.627 700 A CB -0.758 17.765 19.000 -0.796 0.000 0.815 700 A HN 0.577 nan 8.150 nan 0.000 0.443 701 E N -0.445 119.616 120.200 -0.232 0.000 2.106 701 E HA -0.199 4.145 4.350 -0.010 0.000 0.192 701 E C 1.754 178.316 176.600 -0.063 0.000 0.984 701 E CA 1.176 57.510 56.400 -0.110 0.000 0.806 701 E CB -0.037 29.623 29.700 -0.067 0.000 0.750 701 E HN 0.545 nan 8.360 nan 0.000 0.458 702 E N 0.019 120.207 120.200 -0.020 0.000 2.072 702 E HA -0.103 4.241 4.350 -0.010 0.000 0.190 702 E C 1.812 178.423 176.600 0.019 0.000 0.982 702 E CA 1.082 57.495 56.400 0.022 0.000 0.803 702 E CB -0.099 29.671 29.700 0.117 0.000 0.755 702 E HN 0.342 nan 8.360 nan 0.000 0.453 703 A N 0.370 123.197 122.820 0.011 0.000 2.081 703 A HA 0.353 4.666 4.320 -0.010 0.000 0.214 703 A C 1.031 178.619 177.584 0.007 0.000 1.158 703 A CA 1.056 53.117 52.037 0.041 0.000 0.724 703 A CB 0.062 19.138 19.000 0.127 0.000 0.826 703 A HN 0.240 nan 8.150 nan 0.000 0.463 704 G N -0.459 108.316 108.800 -0.042 0.000 3.067 704 G HA2 -0.087 3.867 3.960 -0.010 0.000 0.686 704 G HA3 -0.087 3.867 3.960 -0.010 0.000 0.686 704 G C -0.041 174.832 174.900 -0.044 0.000 1.119 704 G CA -0.021 45.053 45.100 -0.042 0.000 0.790 704 G HN 0.251 nan 8.290 nan 0.000 0.605 705 E N 0.945 121.111 120.200 -0.058 0.000 2.209 705 E HA -0.173 4.171 4.350 -0.010 0.000 0.196 705 E C 1.928 178.511 176.600 -0.029 0.000 0.993 705 E CA 1.726 58.103 56.400 -0.038 0.000 0.819 705 E CB 0.078 29.754 29.700 -0.039 0.000 0.745 705 E HN 0.763 nan 8.360 nan 0.000 0.477 706 E N 0.578 120.748 120.200 -0.050 0.000 2.418 706 E HA -0.054 4.289 4.350 -0.010 0.000 0.197 706 E C 0.806 177.318 176.600 -0.147 0.000 1.026 706 E CA 0.512 56.859 56.400 -0.088 0.000 0.862 706 E CB 0.023 29.684 29.700 -0.064 0.000 0.799 706 E HN 0.148 nan 8.360 nan 0.000 0.518 707 N N -0.234 118.412 118.700 -0.090 0.000 2.275 707 N HA 0.162 4.896 4.740 -0.010 0.000 0.236 707 N C -1.047 174.421 175.510 -0.069 0.000 1.154 707 N CA 0.025 53.004 53.050 -0.118 0.000 0.866 707 N CB 0.474 38.945 38.487 -0.027 0.000 1.093 707 N HN 0.039 nan 8.380 nan 0.000 0.515 708 F N -0.232 119.512 119.950 -0.345 0.000 2.578 708 F HA 0.395 4.916 4.527 -0.011 0.000 0.311 708 F C -0.871 174.726 175.800 -0.339 0.000 1.094 708 F CA -1.059 56.784 58.000 -0.262 0.000 0.923 708 F CB 1.291 40.221 39.000 -0.117 0.000 1.230 708 F HN -0.203 nan 8.300 nan 0.000 0.450 709 F N 5.610 125.533 119.950 -0.045 0.000 2.425 709 F HA 0.403 4.924 4.527 -0.010 0.000 0.354 709 F C -0.254 175.658 175.800 0.187 0.000 1.162 709 F CA -0.443 57.578 58.000 0.036 0.000 1.250 709 F CB -0.204 38.763 39.000 -0.055 0.000 1.579 709 F HN 0.051 nan 8.300 nan 0.000 0.589 710 I N 3.710 124.473 120.570 0.321 0.000 2.440 710 I HA 0.428 4.592 4.170 -0.010 0.000 0.294 710 I C -0.090 176.224 176.117 0.327 0.000 0.995 710 I CA -0.453 61.014 61.300 0.279 0.000 1.306 710 I CB 0.605 38.694 38.000 0.148 0.000 1.407 710 I HN 0.359 nan 8.210 nan 0.000 0.501 711 F N 2.507 122.518 119.950 0.102 0.000 2.779 711 F HA 0.888 5.408 4.527 -0.011 0.000 0.316 711 F C 0.009 175.846 175.800 0.063 0.000 1.164 711 F CA -0.651 57.401 58.000 0.085 0.000 0.924 711 F CB 0.653 39.718 39.000 0.107 0.000 1.348 711 F HN 0.899 nan 8.300 nan 0.000 0.467 712 G N 0.891 109.726 108.800 0.057 0.000 2.828 712 G HA2 -0.078 3.876 3.960 -0.010 0.000 0.463 712 G HA3 -0.078 3.876 3.960 -0.010 0.000 0.463 712 G C -0.827 174.023 174.900 -0.082 0.000 1.394 712 G CA -0.525 44.532 45.100 -0.072 0.000 0.862 712 G HN 0.960 nan 8.290 nan 0.000 0.540 713 M N 0.763 120.331 119.600 -0.054 0.000 2.248 713 M HA 0.287 4.760 4.480 -0.010 0.000 0.337 713 M C 1.221 177.479 176.300 -0.071 0.000 1.121 713 M CA 0.069 55.350 55.300 -0.032 0.000 1.155 713 M CB 0.353 32.945 32.600 -0.014 0.000 1.514 713 M HN 0.521 nan 8.290 nan 0.000 0.452 714 R N 1.331 121.805 120.500 -0.044 0.000 2.608 714 R HA 0.326 4.660 4.340 -0.010 0.000 0.255 714 R C 1.212 177.490 176.300 -0.038 0.000 1.086 714 R CA -0.577 55.493 56.100 -0.049 0.000 1.125 714 R CB 0.194 30.473 30.300 -0.034 0.000 1.193 714 R HN 0.572 nan 8.270 nan 0.000 0.553 715 V N 1.530 121.421 119.914 -0.037 0.000 2.324 715 V HA -0.286 3.828 4.120 -0.010 0.000 0.250 715 V C 1.877 177.959 176.094 -0.021 0.000 1.060 715 V CA 2.076 64.357 62.300 -0.030 0.000 1.042 715 V CB -0.483 31.321 31.823 -0.032 0.000 0.650 715 V HN 0.632 nan 8.190 nan 0.000 0.450 716 E N 0.140 120.330 120.200 -0.017 0.000 2.110 716 E HA -0.187 4.157 4.350 -0.010 0.000 0.193 716 E C 1.986 178.588 176.600 0.003 0.000 0.988 716 E CA 1.417 57.812 56.400 -0.008 0.000 0.804 716 E CB -0.402 29.295 29.700 -0.006 0.000 0.745 716 E HN 0.631 nan 8.360 nan 0.000 0.458 717 D N -0.087 120.316 120.400 0.005 0.000 2.117 717 D HA -0.107 4.527 4.640 -0.010 0.000 0.198 717 D C 1.998 178.312 176.300 0.022 0.000 0.982 717 D CA 0.966 54.979 54.000 0.022 0.000 0.828 717 D CB -0.063 40.752 40.800 0.026 0.000 0.967 717 D HN 0.063 nan 8.370 nan 0.000 0.464 718 V N 1.967 121.882 119.914 0.000 0.000 2.343 718 V HA -0.213 3.901 4.120 -0.010 0.000 0.247 718 V C 2.021 178.114 176.094 -0.001 0.000 1.051 718 V CA 1.668 63.961 62.300 -0.012 0.000 1.036 718 V CB -0.397 31.408 31.823 -0.030 0.000 0.654 718 V HN 0.060 nan 8.190 nan 0.000 0.451 719 D N -0.230 120.170 120.400 -0.000 0.000 2.117 719 D HA -0.151 4.483 4.640 -0.010 0.000 0.197 719 D C 2.410 178.722 176.300 0.021 0.000 0.987 719 D CA 1.191 55.194 54.000 0.004 0.000 0.829 719 D CB -0.218 40.581 40.800 -0.002 0.000 0.961 719 D HN 0.353 nan 8.370 nan 0.000 0.460 720 R N 0.183 120.700 120.500 0.028 0.000 2.081 720 R HA -0.038 4.296 4.340 -0.010 0.000 0.235 720 R C 2.529 178.866 176.300 0.062 0.000 1.131 720 R CA 0.533 56.658 56.100 0.041 0.000 0.960 720 R CB -0.330 29.997 30.300 0.044 0.000 0.856 720 R HN 0.191 nan 8.270 nan 0.000 0.436 721 L N 0.573 121.841 121.223 0.076 0.000 2.093 721 L HA -0.208 4.126 4.340 -0.010 0.000 0.208 721 L C 1.488 178.428 176.870 0.115 0.000 1.085 721 L CA 1.307 56.220 54.840 0.123 0.000 0.755 721 L CB -0.254 41.892 42.059 0.145 0.000 0.904 721 L HN 0.241 nan 8.230 nan 0.000 0.435 722 D N -0.640 119.802 120.400 0.069 0.000 2.144 722 D HA -0.180 4.454 4.640 -0.010 0.000 0.200 722 D C 2.208 178.541 176.300 0.055 0.000 0.978 722 D CA 0.984 55.020 54.000 0.059 0.000 0.833 722 D CB -0.002 40.811 40.800 0.022 0.000 0.961 722 D HN 0.456 nan 8.370 nan 0.000 0.470 723 Q N 0.100 119.928 119.800 0.046 0.000 2.119 723 Q HA -0.082 4.252 4.340 -0.010 0.000 0.201 723 Q C 2.195 178.223 176.000 0.046 0.000 0.972 723 Q CA 0.778 56.605 55.803 0.039 0.000 0.847 723 Q CB 0.068 28.825 28.738 0.031 0.000 0.903 723 Q HN 0.152 nan 8.270 nan 0.000 0.433 724 R N -0.095 120.441 120.500 0.060 0.000 2.127 724 R HA 0.040 4.373 4.340 -0.010 0.000 0.217 724 R C -0.149 176.193 176.300 0.071 0.000 1.074 724 R CA 0.882 57.020 56.100 0.062 0.000 0.991 724 R CB 0.371 30.714 30.300 0.072 0.000 0.895 724 R HN 0.252 nan 8.270 nan 0.000 0.450 725 G N 0.258 109.115 108.800 0.096 0.000 3.434 725 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.686 725 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.686 725 G C -1.410 173.586 174.900 0.160 0.000 1.099 725 G CA -0.403 44.761 45.100 0.107 0.000 0.931 725 G HN 0.265 nan 8.290 nan 0.000 0.520 726 Y N 3.936 124.273 120.300 0.062 0.000 2.480 726 Y HA 0.539 5.083 4.550 -0.010 0.000 0.341 726 Y C 0.360 176.321 175.900 0.102 0.000 1.031 726 Y CA -0.984 57.171 58.100 0.093 0.000 1.295 726 Y CB 0.882 39.377 38.460 0.058 0.000 1.162 726 Y HN 0.561 nan 8.280 nan 0.000 0.523 727 N N 5.342 123.816 118.700 -0.377 0.000 2.626 727 N HA 0.260 4.994 4.740 -0.010 0.000 0.242 727 N C 0.267 175.539 175.510 -0.398 0.000 1.005 727 N CA 0.381 53.230 53.050 -0.335 0.000 0.905 727 N CB 1.510 39.931 38.487 -0.111 0.000 1.128 727 N HN 0.881 nan 8.380 nan 0.000 0.512 728 A N 3.114 125.598 122.820 -0.560 0.000 1.940 728 A HA -0.235 4.079 4.320 -0.010 0.000 0.219 728 A C 1.938 179.661 177.584 0.231 0.000 1.176 728 A CA 1.548 53.507 52.037 -0.130 0.000 0.631 728 A CB -0.413 18.450 19.000 -0.229 0.000 0.814 728 A HN 0.745 nan 8.150 nan 0.000 0.446 729 Q N 0.177 120.004 119.800 0.046 0.000 2.173 729 Q HA -0.256 4.078 4.340 -0.010 0.000 0.208 729 Q C 1.893 177.965 176.000 0.120 0.000 0.989 729 Q CA 2.434 58.275 55.803 0.064 0.000 0.872 729 Q CB -0.391 28.338 28.738 -0.015 0.000 0.909 729 Q HN 0.788 nan 8.270 nan 0.000 0.420 730 E N -1.472 118.748 120.200 0.033 0.000 2.085 730 E HA -0.242 4.102 4.350 -0.010 0.000 0.194 730 E C 1.588 178.122 176.600 -0.109 0.000 0.994 730 E CA 1.499 57.848 56.400 -0.085 0.000 0.801 730 E CB -0.240 29.320 29.700 -0.234 0.000 0.743 730 E HN 0.602 nan 8.360 nan 0.000 0.453 731 Y N -1.149 119.216 120.300 0.109 0.000 2.242 731 Y HA -0.190 4.354 4.550 -0.010 0.000 0.291 731 Y C 2.180 178.068 175.900 -0.019 0.000 1.137 731 Y CA 1.445 59.591 58.100 0.078 0.000 1.181 731 Y CB -0.600 37.956 38.460 0.159 0.000 0.989 731 Y HN 0.241 nan 8.280 nan 0.000 0.527 732 Y N 1.285 121.597 120.300 0.021 0.000 2.224 732 Y HA -0.244 4.300 4.550 -0.010 0.000 0.289 732 Y C 1.750 177.607 175.900 -0.072 0.000 1.146 732 Y CA 1.766 59.802 58.100 -0.107 0.000 1.182 732 Y CB -0.366 38.081 38.460 -0.022 0.000 0.983 732 Y HN 0.077 nan 8.280 nan 0.000 0.524 733 D N -0.276 120.236 120.400 0.187 0.000 2.224 733 D HA -0.080 4.554 4.640 -0.010 0.000 0.205 733 D C 1.731 178.016 176.300 -0.025 0.000 0.965 733 D CA 1.069 55.121 54.000 0.086 0.000 0.852 733 D CB -0.087 40.770 40.800 0.095 0.000 0.947 733 D HN 0.488 nan 8.370 nan 0.000 0.494 734 R N -0.050 120.428 120.500 -0.037 0.000 2.362 734 R HA 0.284 4.618 4.340 -0.010 0.000 0.227 734 R C 0.388 176.663 176.300 -0.041 0.000 0.905 734 R CA 0.073 56.148 56.100 -0.042 0.000 1.067 734 R CB 1.145 31.417 30.300 -0.048 0.000 1.078 734 R HN 0.145 nan 8.270 nan 0.000 0.516 735 I N 2.016 122.539 120.570 -0.080 0.000 2.495 735 I HA 0.224 4.388 4.170 -0.010 0.000 0.277 735 I C -1.976 174.036 176.117 -0.175 0.000 1.045 735 I CA -2.347 58.906 61.300 -0.079 0.000 1.135 735 I CB 2.195 40.174 38.000 -0.035 0.000 1.241 735 I HN -0.304 nan 8.210 nan 0.000 0.469 736 P HA -0.206 nan 4.420 nan 0.000 0.216 736 P C 1.208 178.404 177.300 -0.174 0.000 1.157 736 P CA 1.558 64.563 63.100 -0.159 0.000 0.880 736 P CB 0.306 31.949 31.700 -0.095 0.000 0.791 737 E N -1.092 119.042 120.200 -0.110 0.000 2.077 737 E HA -0.185 4.159 4.350 -0.010 0.000 0.193 737 E C 1.913 178.396 176.600 -0.194 0.000 0.989 737 E CA 0.803 57.151 56.400 -0.088 0.000 0.800 737 E CB -0.663 29.059 29.700 0.036 0.000 0.746 737 E HN 0.113 nan 8.360 nan 0.000 0.452 738 L N 1.354 122.371 121.223 -0.343 0.000 2.056 738 L HA -0.149 4.185 4.340 -0.010 0.000 0.207 738 L C 2.372 178.941 176.870 -0.501 0.000 1.078 738 L CA 1.666 56.134 54.840 -0.620 0.000 0.749 738 L CB -0.345 41.203 42.059 -0.850 0.000 0.901 738 L HN -0.071 nan 8.230 nan 0.000 0.433 739 R N -0.770 119.403 120.500 -0.544 0.000 2.083 739 R HA -0.251 4.083 4.340 -0.010 0.000 0.237 739 R C 2.389 178.481 176.300 -0.347 0.000 1.137 739 R CA 2.024 57.691 56.100 -0.720 0.000 0.951 739 R CB -0.380 29.444 30.300 -0.793 0.000 0.851 739 R HN 0.645 nan 8.270 nan 0.000 0.434 740 Q N 0.490 120.140 119.800 -0.251 0.000 2.096 740 Q HA -0.191 4.143 4.340 -0.010 0.000 0.204 740 Q C 2.072 178.005 176.000 -0.113 0.000 0.982 740 Q CA 2.024 57.734 55.803 -0.155 0.000 0.850 740 Q CB -0.144 28.510 28.738 -0.140 0.000 0.901 740 Q HN 0.487 nan 8.270 nan 0.000 0.422 741 I N 0.163 120.663 120.570 -0.118 0.000 2.179 741 I HA -0.288 3.876 4.170 -0.010 0.000 0.242 741 I C 2.077 178.205 176.117 0.020 0.000 1.088 741 I CA 0.818 62.090 61.300 -0.045 0.000 1.357 741 I CB -0.260 37.694 38.000 -0.077 0.000 1.051 741 I HN 0.259 nan 8.210 nan 0.000 0.409 742 I N 0.839 121.418 120.570 0.015 0.000 2.286 742 I HA -0.267 3.897 4.170 -0.010 0.000 0.248 742 I C 2.444 178.653 176.117 0.153 0.000 1.115 742 I CA 1.596 62.978 61.300 0.136 0.000 1.392 742 I CB -0.599 37.569 38.000 0.280 0.000 1.065 742 I HN 0.219 nan 8.210 nan 0.000 0.418 743 E N -0.248 120.018 120.200 0.110 0.000 2.150 743 E HA -0.234 4.110 4.350 -0.010 0.000 0.193 743 E C 2.148 178.804 176.600 0.093 0.000 0.985 743 E CA 0.846 57.309 56.400 0.104 0.000 0.814 743 E CB -0.182 29.553 29.700 0.058 0.000 0.752 743 E HN 0.612 nan 8.360 nan 0.000 0.466 744 Q N 0.518 120.352 119.800 0.057 0.000 2.079 744 Q HA -0.102 4.232 4.340 -0.010 0.000 0.200 744 Q C 2.364 178.515 176.000 0.251 0.000 0.974 744 Q CA 0.909 56.744 55.803 0.054 0.000 0.840 744 Q CB -0.014 28.642 28.738 -0.137 0.000 0.898 744 Q HN 0.292 nan 8.270 nan 0.000 0.430 745 L N -0.020 121.371 121.223 0.280 0.000 2.017 745 L HA -0.188 4.146 4.340 -0.010 0.000 0.208 745 L C 2.445 179.497 176.870 0.304 0.000 1.073 745 L CA 1.041 56.081 54.840 0.332 0.000 0.745 745 L CB -0.375 41.803 42.059 0.199 0.000 0.894 745 L HN 0.146 nan 8.230 nan 0.000 0.432 746 S N -0.244 115.588 115.700 0.221 0.000 2.368 746 S HA -0.153 4.311 4.470 -0.010 0.000 0.224 746 S C 2.095 176.794 174.600 0.164 0.000 1.029 746 S CA 1.499 59.809 58.200 0.183 0.000 0.988 746 S CB -0.262 63.027 63.200 0.147 0.000 0.838 746 S HN 0.602 nan 8.310 nan 0.000 0.462 747 S N 0.552 116.348 115.700 0.160 0.000 2.515 747 S HA 0.266 4.730 4.470 -0.010 0.000 0.231 747 S C 1.525 176.210 174.600 0.142 0.000 0.987 747 S CA 0.798 59.079 58.200 0.134 0.000 0.936 747 S CB -0.245 63.029 63.200 0.122 0.000 0.766 747 S HN 0.847 nan 8.310 nan 0.000 0.528 748 G N 0.461 109.378 108.800 0.196 0.000 2.144 748 G HA2 -0.285 3.669 3.960 -0.010 0.000 0.218 748 G HA3 -0.285 3.669 3.960 -0.010 0.000 0.218 748 G C 0.235 175.228 174.900 0.155 0.000 0.988 748 G CA 0.114 45.321 45.100 0.178 0.000 0.659 748 G HN 0.519 nan 8.290 nan 0.000 0.522 749 F N 0.569 120.513 119.950 -0.010 0.000 2.154 749 F HA 0.109 4.630 4.527 -0.010 0.000 0.301 749 F C 1.835 177.440 175.800 -0.324 0.000 1.087 749 F CA 2.132 60.006 58.000 -0.210 0.000 1.274 749 F CB -0.102 38.684 39.000 -0.356 0.000 1.009 749 F HN 0.166 nan 8.300 nan 0.000 0.485 750 F N -0.265 119.856 119.950 0.285 0.000 2.727 750 F HA 0.200 4.721 4.527 -0.010 0.000 0.302 750 F C 0.731 176.644 175.800 0.188 0.000 1.097 750 F CA 0.347 58.459 58.000 0.186 0.000 1.330 750 F CB -0.184 38.930 39.000 0.190 0.000 1.084 750 F HN 0.001 nan 8.300 nan 0.000 0.578 751 S N -2.172 113.679 115.700 0.251 0.000 2.605 751 S HA 0.310 4.774 4.470 -0.010 0.000 0.142 751 S C -2.412 172.210 174.600 0.035 0.000 1.452 751 S CA -1.013 57.264 58.200 0.129 0.000 1.240 751 S CB 0.786 64.029 63.200 0.072 0.000 1.538 751 S HN -0.176 nan 8.310 nan 0.000 0.394 752 P HA -0.179 nan 4.420 nan 0.000 0.215 752 P C 1.256 178.543 177.300 -0.021 0.000 1.163 752 P CA 1.604 64.679 63.100 -0.041 0.000 0.894 752 P CB 0.074 31.726 31.700 -0.081 0.000 0.791 753 K N -1.132 119.256 120.400 -0.019 0.000 2.283 753 K HA -0.076 4.238 4.320 -0.010 0.000 0.202 753 K C 0.695 177.291 176.600 -0.007 0.000 1.048 753 K CA 0.957 57.236 56.287 -0.012 0.000 0.948 753 K CB -0.123 32.371 32.500 -0.009 0.000 0.742 753 K HN 0.361 nan 8.250 nan 0.000 0.458 754 Q N -0.408 119.386 119.800 -0.010 0.000 3.122 754 Q HA 0.149 4.483 4.340 -0.010 0.000 0.282 754 Q C -2.353 173.637 176.000 -0.018 0.000 0.947 754 Q CA -1.568 54.224 55.803 -0.018 0.000 0.812 754 Q CB 1.528 30.247 28.738 -0.032 0.000 1.333 754 Q HN -0.085 nan 8.270 nan 0.000 0.430 755 P HA -0.255 nan 4.420 nan 0.000 0.218 755 P C 0.597 177.931 177.300 0.056 0.000 1.154 755 P CA 1.637 64.762 63.100 0.042 0.000 0.872 755 P CB 0.175 31.898 31.700 0.038 0.000 0.790 756 D N -1.573 118.844 120.400 0.029 0.000 2.427 756 D HA 0.007 4.640 4.640 -0.010 0.000 0.224 756 D C 1.487 177.784 176.300 -0.006 0.000 1.157 756 D CA -0.298 53.727 54.000 0.042 0.000 0.828 756 D CB -0.699 40.127 40.800 0.044 0.000 0.974 756 D HN 0.036 nan 8.370 nan 0.000 0.498 757 L N -0.173 120.979 121.223 -0.117 0.000 2.079 757 L HA -0.019 4.315 4.340 -0.010 0.000 0.210 757 L C 1.006 177.646 176.870 -0.383 0.000 1.081 757 L CA 1.651 56.300 54.840 -0.318 0.000 0.752 757 L CB -0.590 41.099 42.059 -0.617 0.000 0.896 757 L HN -0.000 nan 8.230 nan 0.000 0.433 758 F N -0.435 119.573 119.950 0.096 0.000 2.730 758 F HA 0.155 4.676 4.527 -0.010 0.000 0.295 758 F C 1.810 177.665 175.800 0.092 0.000 1.143 758 F CA -0.217 57.832 58.000 0.080 0.000 1.367 758 F CB -0.335 38.702 39.000 0.061 0.000 0.970 758 F HN 0.103 nan 8.300 nan 0.000 0.514 759 K N -0.373 120.144 120.400 0.194 0.000 2.097 759 K HA -0.161 4.153 4.320 -0.010 0.000 0.206 759 K C 0.926 177.628 176.600 0.171 0.000 1.049 759 K CA 1.855 58.240 56.287 0.164 0.000 0.933 759 K CB -0.224 32.347 32.500 0.119 0.000 0.717 759 K HN 0.104 nan 8.250 nan 0.000 0.442 760 D N 1.399 121.915 120.400 0.194 0.000 2.144 760 D HA -0.088 4.546 4.640 -0.010 0.000 0.199 760 D C 2.099 178.518 176.300 0.199 0.000 0.984 760 D CA 1.115 55.244 54.000 0.215 0.000 0.834 760 D CB -0.109 40.862 40.800 0.284 0.000 0.955 760 D HN 0.314 nan 8.370 nan 0.000 0.465 761 I N 0.645 121.333 120.570 0.197 0.000 2.202 761 I HA -0.216 3.948 4.170 -0.010 0.000 0.242 761 I C 2.479 178.649 176.117 0.088 0.000 1.091 761 I CA 0.650 62.033 61.300 0.138 0.000 1.368 761 I CB -0.242 37.838 38.000 0.133 0.000 1.058 761 I HN -0.121 nan 8.210 nan 0.000 0.410 762 V N 1.213 121.195 119.914 0.113 0.000 2.343 762 V HA -0.300 3.814 4.120 -0.010 0.000 0.247 762 V C 2.252 178.339 176.094 -0.012 0.000 1.051 762 V CA 2.331 64.676 62.300 0.075 0.000 1.036 762 V CB -0.977 30.915 31.823 0.115 0.000 0.654 762 V HN 0.471 nan 8.190 nan 0.000 0.451 763 N N -0.047 118.672 118.700 0.032 0.000 2.069 763 N HA -0.217 4.517 4.740 -0.010 0.000 0.191 763 N C 1.852 177.216 175.510 -0.244 0.000 1.031 763 N CA 1.946 55.001 53.050 0.008 0.000 0.852 763 N CB -0.322 38.260 38.487 0.158 0.000 1.018 763 N HN 0.326 nan 8.380 nan 0.000 0.423 764 M N -0.214 119.306 119.600 -0.133 0.000 2.086 764 M HA -0.115 4.359 4.480 -0.010 0.000 0.261 764 M C 1.533 177.666 176.300 -0.278 0.000 1.067 764 M CA 1.330 56.506 55.300 -0.207 0.000 1.116 764 M CB -0.710 31.973 32.600 0.139 0.000 1.348 764 M HN 0.214 nan 8.290 nan 0.000 0.407 765 L N 0.660 121.748 121.223 -0.225 0.000 2.042 765 L HA -0.216 4.118 4.340 -0.010 0.000 0.210 765 L C 2.451 178.985 176.870 -0.561 0.000 1.076 765 L CA 1.673 56.276 54.840 -0.395 0.000 0.749 765 L CB -0.968 40.902 42.059 -0.315 0.000 0.893 765 L HN 0.345 nan 8.230 nan 0.000 0.432 766 M N -1.982 117.335 119.600 -0.471 0.000 2.287 766 M HA -0.058 4.415 4.480 -0.010 0.000 0.266 766 M C 1.905 177.761 176.300 -0.739 0.000 1.079 766 M CA 1.428 56.370 55.300 -0.596 0.000 1.146 766 M CB -0.825 31.331 32.600 -0.740 0.000 1.374 766 M HN 0.328 nan 8.290 nan 0.000 0.435 767 H N -1.745 117.128 119.070 -0.328 0.000 2.927 767 H HA 0.192 4.742 4.556 -0.010 0.000 0.255 767 H C 0.084 175.295 175.328 -0.196 0.000 0.974 767 H CA 0.641 56.528 56.048 -0.270 0.000 1.199 767 H CB 0.234 29.872 29.762 -0.207 0.000 1.447 767 H HN 0.548 nan 8.280 nan 0.000 0.467 768 H N -1.152 117.970 119.070 0.088 0.000 2.825 768 H HA 0.262 4.812 4.556 -0.010 0.000 0.226 768 H C -1.125 174.228 175.328 0.041 0.000 1.414 768 H CA -0.688 55.403 56.048 0.072 0.000 1.198 768 H CB -0.059 29.749 29.762 0.076 0.000 2.013 768 H HN -0.107 nan 8.280 nan 0.000 0.530 769 D N 1.380 121.822 120.400 0.069 0.000 2.411 769 D HA 0.134 4.768 4.640 -0.010 0.000 0.225 769 D C 0.840 177.104 176.300 -0.060 0.000 1.156 769 D CA -0.451 53.569 54.000 0.033 0.000 0.874 769 D CB 0.727 41.515 40.800 -0.021 0.000 1.034 769 D HN 0.454 nan 8.370 nan 0.000 0.502 770 R N 2.351 122.716 120.500 -0.225 0.000 2.285 770 R HA -0.019 4.315 4.340 -0.010 0.000 0.213 770 R C 0.572 176.363 176.300 -0.850 0.000 1.068 770 R CA 0.783 56.544 56.100 -0.565 0.000 1.004 770 R CB 0.099 29.902 30.300 -0.829 0.000 0.873 770 R HN 0.402 nan 8.270 nan 0.000 0.467 771 F N 0.649 120.572 119.950 -0.046 0.000 2.639 771 F HA 0.257 4.778 4.527 -0.010 0.000 0.302 771 F C 0.047 175.727 175.800 -0.200 0.000 1.097 771 F CA -0.735 57.218 58.000 -0.079 0.000 1.294 771 F CB 0.097 39.111 39.000 0.024 0.000 1.027 771 F HN -0.242 nan 8.300 nan 0.000 0.550 772 K N -0.356 119.842 120.400 -0.338 0.000 3.311 772 K HA -0.189 4.125 4.320 -0.010 0.000 0.270 772 K C 1.014 177.492 176.600 -0.204 0.000 0.927 772 K CA 0.191 56.105 56.287 -0.621 0.000 0.706 772 K CB -1.821 30.215 32.500 -0.775 0.000 1.418 772 K HN 0.224 nan 8.250 nan 0.000 0.459 773 V N 0.040 119.915 119.914 -0.065 0.000 2.287 773 V HA -0.283 3.831 4.120 -0.010 0.000 0.248 773 V C 1.980 178.212 176.094 0.231 0.000 1.053 773 V CA 2.241 64.582 62.300 0.067 0.000 1.027 773 V CB -0.512 31.351 31.823 0.066 0.000 0.646 773 V HN 0.518 nan 8.190 nan 0.000 0.447 774 F N 0.237 120.197 119.950 0.017 0.000 2.216 774 F HA -0.182 4.339 4.527 -0.010 0.000 0.300 774 F C 2.537 178.127 175.800 -0.349 0.000 1.085 774 F CA 0.631 58.588 58.000 -0.072 0.000 1.326 774 F CB -0.388 38.588 39.000 -0.040 0.000 1.027 774 F HN 0.203 nan 8.300 nan 0.000 0.497 775 A N -0.420 122.232 122.820 -0.280 0.000 2.019 775 A HA -0.201 4.113 4.320 -0.010 0.000 0.219 775 A C 1.448 179.011 177.584 -0.036 0.000 1.164 775 A CA 1.919 53.697 52.037 -0.432 0.000 0.644 775 A CB -0.456 18.427 19.000 -0.195 0.000 0.805 775 A HN 0.245 nan 8.150 nan 0.000 0.449 776 D N -2.909 117.539 120.400 0.081 0.000 2.398 776 D HA 0.094 4.728 4.640 -0.010 0.000 0.210 776 D C 1.135 177.605 176.300 0.282 0.000 1.094 776 D CA -0.077 54.049 54.000 0.210 0.000 0.839 776 D CB -0.122 40.813 40.800 0.225 0.000 0.963 776 D HN 0.577 nan 8.370 nan 0.000 0.506 777 Y N 2.193 122.582 120.300 0.148 0.000 2.053 777 Y HA -0.249 4.295 4.550 -0.010 0.000 0.277 777 Y C 2.134 178.129 175.900 0.157 0.000 1.159 777 Y CA 1.966 60.167 58.100 0.168 0.000 1.125 777 Y CB 0.145 38.670 38.460 0.109 0.000 0.969 777 Y HN -0.107 nan 8.280 nan 0.000 0.492 778 E N -0.088 120.201 120.200 0.147 0.000 2.038 778 E HA -0.280 4.064 4.350 -0.010 0.000 0.195 778 E C 2.250 178.833 176.600 -0.029 0.000 1.000 778 E CA 1.652 58.067 56.400 0.025 0.000 0.803 778 E CB -0.217 29.595 29.700 0.186 0.000 0.750 778 E HN 0.615 nan 8.360 nan 0.000 0.448 779 E N -0.440 119.818 120.200 0.096 0.000 2.110 779 E HA -0.206 4.138 4.350 -0.010 0.000 0.193 779 E C 1.903 178.508 176.600 0.007 0.000 0.988 779 E CA 0.723 57.198 56.400 0.125 0.000 0.804 779 E CB -0.081 29.782 29.700 0.273 0.000 0.745 779 E HN 0.249 nan 8.360 nan 0.000 0.458 780 Y N 0.882 121.013 120.300 -0.281 0.000 2.114 780 Y HA -0.236 4.308 4.550 -0.010 0.000 0.284 780 Y C 2.084 177.598 175.900 -0.643 0.000 1.143 780 Y CA 1.186 58.792 58.100 -0.823 0.000 1.135 780 Y CB -0.608 37.436 38.460 -0.694 0.000 0.980 780 Y HN -0.175 nan 8.280 nan 0.000 0.499 781 V N 0.471 120.029 119.914 -0.594 0.000 2.332 781 V HA -0.316 3.797 4.120 -0.010 0.000 0.248 781 V C 2.374 178.236 176.094 -0.386 0.000 1.055 781 V CA 2.354 64.320 62.300 -0.557 0.000 1.038 781 V CB -0.686 30.844 31.823 -0.489 0.000 0.651 781 V HN 0.216 nan 8.190 nan 0.000 0.450 782 K N -0.495 119.747 120.400 -0.263 0.000 2.032 782 K HA -0.189 4.125 4.320 -0.010 0.000 0.209 782 K C 2.263 178.769 176.600 -0.157 0.000 1.048 782 K CA 1.898 58.096 56.287 -0.148 0.000 0.927 782 K CB -1.034 31.428 32.500 -0.062 0.000 0.712 782 K HN 0.547 nan 8.250 nan 0.000 0.441 783 C N 0.818 119.999 119.300 -0.199 0.000 2.429 783 C HA -0.096 4.358 4.460 -0.010 0.000 0.277 783 C C 2.456 177.268 174.990 -0.297 0.000 1.262 783 C CA 0.779 59.708 59.018 -0.148 0.000 1.733 783 C CB -0.742 26.920 27.740 -0.130 0.000 2.010 783 C HN 0.473 nan 8.230 nan 0.000 0.483 784 Q N 0.411 119.886 119.800 -0.542 0.000 2.226 784 Q HA -0.162 4.172 4.340 -0.010 0.000 0.204 784 Q C 2.006 177.801 176.000 -0.342 0.000 0.975 784 Q CA 1.592 57.025 55.803 -0.617 0.000 0.866 784 Q CB -0.361 27.745 28.738 -1.054 0.000 0.915 784 Q HN 0.770 nan 8.270 nan 0.000 0.440 785 E N 0.089 120.152 120.200 -0.228 0.000 2.107 785 E HA -0.107 4.236 4.350 -0.010 0.000 0.191 785 E C 2.019 178.582 176.600 -0.061 0.000 0.982 785 E CA 0.402 56.732 56.400 -0.116 0.000 0.809 785 E CB -0.015 29.637 29.700 -0.079 0.000 0.756 785 E HN 0.268 nan 8.360 nan 0.000 0.459 786 R N 0.638 121.116 120.500 -0.036 0.000 2.115 786 R HA -0.069 4.265 4.340 -0.010 0.000 0.230 786 R C 2.387 178.741 176.300 0.089 0.000 1.111 786 R CA 0.782 56.940 56.100 0.096 0.000 0.976 786 R CB -0.341 30.092 30.300 0.222 0.000 0.870 786 R HN 0.074 nan 8.270 nan 0.000 0.445 787 V N 0.736 120.509 119.914 -0.234 0.000 2.270 787 V HA -0.226 3.888 4.120 -0.010 0.000 0.245 787 V C 2.236 178.328 176.094 -0.004 0.000 1.043 787 V CA 1.956 63.997 62.300 -0.430 0.000 1.014 787 V CB -0.399 31.031 31.823 -0.655 0.000 0.645 787 V HN 0.273 nan 8.190 nan 0.000 0.447 788 S N 0.219 115.879 115.700 -0.066 0.000 2.370 788 S HA -0.196 4.268 4.470 -0.010 0.000 0.226 788 S C 2.215 176.874 174.600 0.099 0.000 1.033 788 S CA 1.435 59.628 58.200 -0.011 0.000 1.011 788 S CB -0.546 62.616 63.200 -0.064 0.000 0.852 788 S HN 0.650 nan 8.310 nan 0.000 0.457 789 A N 1.478 124.359 122.820 0.102 0.000 1.883 789 A HA -0.041 4.273 4.320 -0.010 0.000 0.217 789 A C 2.110 179.813 177.584 0.198 0.000 1.186 789 A CA 1.218 53.335 52.037 0.135 0.000 0.624 789 A CB -0.779 18.292 19.000 0.118 0.000 0.822 789 A HN 0.462 nan 8.150 nan 0.000 0.444 790 L N -2.087 119.318 121.223 0.303 0.000 2.093 790 L HA -0.153 4.181 4.340 -0.010 0.000 0.208 790 L C 2.472 179.627 176.870 0.475 0.000 1.085 790 L CA 1.737 56.830 54.840 0.421 0.000 0.755 790 L CB -0.411 42.010 42.059 0.604 0.000 0.904 790 L HN 0.599 nan 8.230 nan 0.000 0.435 791 Y N 1.004 121.443 120.300 0.231 0.000 2.333 791 Y HA -0.254 4.291 4.550 -0.009 0.000 0.290 791 Y C 2.370 178.205 175.900 -0.109 0.000 1.144 791 Y CA 1.549 59.521 58.100 -0.213 0.000 1.228 791 Y CB -0.070 38.065 38.460 -0.542 0.000 0.985 791 Y HN 0.065 nan 8.280 nan 0.000 0.542 792 K N -0.141 120.293 120.400 0.056 0.000 2.442 792 K HA -0.114 4.200 4.320 -0.010 0.000 0.198 792 K C 0.373 176.957 176.600 -0.028 0.000 1.042 792 K CA 0.638 56.940 56.287 0.025 0.000 0.958 792 K CB -0.073 32.492 32.500 0.109 0.000 0.766 792 K HN 0.056 nan 8.250 nan 0.000 0.474 793 N N 0.496 119.196 118.700 -0.001 0.000 2.898 793 N HA 0.134 4.868 4.740 -0.010 0.000 0.245 793 N C -2.450 173.062 175.510 0.003 0.000 1.185 793 N CA -2.108 50.950 53.050 0.012 0.000 0.879 793 N CB 1.146 39.675 38.487 0.070 0.000 1.157 793 N HN -0.192 nan 8.380 nan 0.000 0.503 794 P HA -0.225 nan 4.420 nan 0.000 0.217 794 P C 1.417 178.725 177.300 0.013 0.000 1.158 794 P CA 1.354 64.378 63.100 -0.127 0.000 0.887 794 P CB 0.354 31.955 31.700 -0.165 0.000 0.792 795 R N -0.125 120.384 120.500 0.014 0.000 2.073 795 R HA -0.165 4.169 4.340 -0.010 0.000 0.234 795 R C 2.005 178.347 176.300 0.072 0.000 1.134 795 R CA 1.517 57.638 56.100 0.036 0.000 0.952 795 R CB -0.430 29.883 30.300 0.021 0.000 0.850 795 R HN 0.101 nan 8.270 nan 0.000 0.433 796 E N -0.091 120.162 120.200 0.087 0.000 2.152 796 E HA -0.215 4.129 4.350 -0.010 0.000 0.192 796 E C 1.602 178.283 176.600 0.134 0.000 0.983 796 E CA 0.632 57.088 56.400 0.093 0.000 0.818 796 E CB -0.397 29.355 29.700 0.087 0.000 0.758 796 E HN 0.539 nan 8.360 nan 0.000 0.467 797 W N 2.187 123.490 121.300 0.004 0.000 2.379 797 W HA -0.151 4.502 4.660 -0.011 0.000 0.307 797 W C 1.546 178.077 176.519 0.021 0.000 1.200 797 W CA 1.942 59.307 57.345 0.034 0.000 1.297 797 W CB -0.401 29.060 29.460 0.002 0.000 1.140 797 W HN 0.010 nan 8.180 nan 0.000 0.507 798 T N 1.349 116.060 114.554 0.262 0.000 2.788 798 T HA -0.166 4.178 4.350 -0.010 0.000 0.268 798 T C 1.852 176.571 174.700 0.030 0.000 1.044 798 T CA 1.703 63.884 62.100 0.135 0.000 1.139 798 T CB -0.273 68.648 68.868 0.088 0.000 0.867 798 T HN 0.178 nan 8.240 nan 0.000 0.454 799 R N 0.440 120.961 120.500 0.035 0.000 2.115 799 R HA 0.111 4.445 4.340 -0.010 0.000 0.230 799 R C 2.481 178.775 176.300 -0.010 0.000 1.111 799 R CA 1.103 57.219 56.100 0.028 0.000 0.976 799 R CB -0.329 29.993 30.300 0.036 0.000 0.870 799 R HN 0.371 nan 8.270 nan 0.000 0.445 800 M N 0.505 120.064 119.600 -0.068 0.000 2.200 800 M HA -0.117 4.357 4.480 -0.010 0.000 0.265 800 M C 1.901 178.119 176.300 -0.137 0.000 1.066 800 M CA 1.302 56.525 55.300 -0.128 0.000 1.127 800 M CB 0.220 32.683 32.600 -0.228 0.000 1.379 800 M HN -0.031 nan 8.290 nan 0.000 0.420 801 V N 0.905 120.720 119.914 -0.166 0.000 2.343 801 V HA -0.307 3.807 4.120 -0.010 0.000 0.247 801 V C 2.224 178.307 176.094 -0.018 0.000 1.051 801 V CA 1.947 64.182 62.300 -0.109 0.000 1.036 801 V CB -0.600 31.187 31.823 -0.059 0.000 0.654 801 V HN 0.507 nan 8.190 nan 0.000 0.451 802 I N -0.572 120.005 120.570 0.011 0.000 2.208 802 I HA -0.267 3.897 4.170 -0.010 0.000 0.245 802 I C 2.715 178.884 176.117 0.087 0.000 1.097 802 I CA 1.588 62.938 61.300 0.084 0.000 1.363 802 I CB -0.415 37.676 38.000 0.153 0.000 1.051 802 I HN 0.218 nan 8.210 nan 0.000 0.413 803 R N 0.410 120.940 120.500 0.050 0.000 2.120 803 R HA -0.117 4.217 4.340 -0.010 0.000 0.234 803 R C 2.040 178.377 176.300 0.061 0.000 1.123 803 R CA 1.141 57.270 56.100 0.048 0.000 0.975 803 R CB -0.373 29.939 30.300 0.019 0.000 0.866 803 R HN 0.532 nan 8.270 nan 0.000 0.446 804 N N 0.625 119.358 118.700 0.055 0.000 2.109 804 N HA -0.077 4.657 4.740 -0.010 0.000 0.188 804 N C 1.979 177.555 175.510 0.110 0.000 1.034 804 N CA 1.085 54.193 53.050 0.096 0.000 0.846 804 N CB -0.034 38.490 38.487 0.062 0.000 1.010 804 N HN 0.110 nan 8.380 nan 0.000 0.425 805 I N 1.708 122.330 120.570 0.088 0.000 2.194 805 I HA -0.264 3.900 4.170 -0.010 0.000 0.246 805 I C 2.463 178.636 176.117 0.094 0.000 1.093 805 I CA 1.023 62.379 61.300 0.093 0.000 1.355 805 I CB -0.368 37.680 38.000 0.080 0.000 1.046 805 I HN 0.103 nan 8.210 nan 0.000 0.413 806 A N 0.302 123.176 122.820 0.091 0.000 2.019 806 A HA -0.172 4.142 4.320 -0.010 0.000 0.219 806 A C 2.046 179.671 177.584 0.068 0.000 1.164 806 A CA 2.101 54.182 52.037 0.074 0.000 0.644 806 A CB -0.867 18.180 19.000 0.079 0.000 0.805 806 A HN 0.551 nan 8.150 nan 0.000 0.449 807 T N -2.939 111.669 114.554 0.090 0.000 3.215 807 T HA 0.220 4.564 4.350 -0.010 0.000 0.271 807 T C 1.017 175.811 174.700 0.156 0.000 1.012 807 T CA 0.576 62.731 62.100 0.092 0.000 0.899 807 T CB -0.163 68.756 68.868 0.084 0.000 1.089 807 T HN 0.472 nan 8.240 nan 0.000 0.552 808 S N -0.135 115.675 115.700 0.185 0.000 2.575 808 S HA 0.277 4.741 4.470 -0.010 0.000 0.215 808 S C 2.186 176.918 174.600 0.220 0.000 0.966 808 S CA 0.214 58.605 58.200 0.318 0.000 0.911 808 S CB -0.503 62.855 63.200 0.264 0.000 0.780 808 S HN 0.512 nan 8.310 nan 0.000 0.514 809 G N 2.864 111.714 108.800 0.082 0.000 2.469 809 G HA2 -0.306 3.648 3.960 -0.010 0.000 0.219 809 G HA3 -0.306 3.648 3.960 -0.010 0.000 0.219 809 G C 1.322 176.167 174.900 -0.091 0.000 1.150 809 G CA 1.086 46.198 45.100 0.021 0.000 0.763 809 G HN 0.612 nan 8.290 nan 0.000 0.561 810 K N -0.089 120.133 120.400 -0.297 0.000 2.281 810 K HA -0.041 4.273 4.320 -0.010 0.000 0.203 810 K C 1.217 177.467 176.600 -0.585 0.000 1.046 810 K CA 0.746 56.718 56.287 -0.524 0.000 0.938 810 K CB -0.283 31.733 32.500 -0.807 0.000 0.737 810 K HN 0.409 nan 8.250 nan 0.000 0.458 811 F N 1.018 120.994 119.950 0.044 0.000 2.676 811 F HA 0.126 4.646 4.527 -0.011 0.000 0.300 811 F C 0.768 176.611 175.800 0.072 0.000 1.160 811 F CA -0.563 57.471 58.000 0.055 0.000 1.401 811 F CB 0.345 39.374 39.000 0.048 0.000 1.037 811 F HN -0.112 nan 8.300 nan 0.000 0.522 812 S N 0.238 116.013 115.700 0.125 0.000 2.545 812 S HA 0.096 4.560 4.470 -0.010 0.000 0.275 812 S C 1.407 176.086 174.600 0.131 0.000 1.299 812 S CA -0.306 57.969 58.200 0.124 0.000 1.048 812 S CB 0.872 64.114 63.200 0.071 0.000 0.938 812 S HN 0.335 nan 8.310 nan 0.000 0.496 813 S N 3.311 119.115 115.700 0.173 0.000 2.507 813 S HA -0.081 4.383 4.470 -0.010 0.000 0.235 813 S C 0.919 175.574 174.600 0.091 0.000 0.988 813 S CA 0.702 59.027 58.200 0.208 0.000 0.944 813 S CB -0.332 63.061 63.200 0.322 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.806 122.243 120.400 0.061 0.000 2.144 814 D HA -0.063 4.571 4.640 -0.010 0.000 0.200 814 D C 2.115 178.417 176.300 0.004 0.000 0.978 814 D CA 0.704 54.717 54.000 0.023 0.000 0.833 814 D CB -0.303 40.507 40.800 0.017 0.000 0.961 814 D HN 0.286 nan 8.370 nan 0.000 0.470 815 R N 0.932 121.435 120.500 0.006 0.000 2.066 815 R HA -0.081 4.253 4.340 -0.010 0.000 0.232 815 R C 1.862 178.150 176.300 -0.021 0.000 1.131 815 R CA 1.353 57.441 56.100 -0.020 0.000 0.955 815 R CB -0.806 29.468 30.300 -0.044 0.000 0.851 815 R HN 0.097 nan 8.270 nan 0.000 0.432 816 T N 2.263 116.828 114.554 0.019 0.000 2.684 816 T HA -0.122 4.222 4.350 -0.010 0.000 0.267 816 T C 1.920 176.625 174.700 0.009 0.000 1.036 816 T CA 1.416 63.545 62.100 0.049 0.000 1.148 816 T CB -0.121 68.854 68.868 0.179 0.000 0.863 816 T HN 0.108 nan 8.240 nan 0.000 0.436 817 I N 1.627 122.129 120.570 -0.113 0.000 2.315 817 I HA -0.077 4.087 4.170 -0.010 0.000 0.248 817 I C 2.900 178.973 176.117 -0.074 0.000 1.117 817 I CA 0.891 62.089 61.300 -0.170 0.000 1.404 817 I CB -1.623 36.279 38.000 -0.164 0.000 1.071 817 I HN 0.194 nan 8.210 nan 0.000 0.419 818 A N 0.252 123.045 122.820 -0.045 0.000 1.933 818 A HA -0.229 4.085 4.320 -0.010 0.000 0.218 818 A C 2.247 179.782 177.584 -0.081 0.000 1.175 818 A CA 1.383 53.399 52.037 -0.036 0.000 0.628 818 A CB -0.531 18.454 19.000 -0.025 0.000 0.814 818 A HN 0.511 nan 8.150 nan 0.000 0.444 819 Q N -1.875 117.856 119.800 -0.116 0.000 2.079 819 Q HA -0.161 4.173 4.340 -0.010 0.000 0.200 819 Q C 1.927 177.744 176.000 -0.306 0.000 0.974 819 Q CA 1.586 57.277 55.803 -0.186 0.000 0.840 819 Q CB -0.306 28.309 28.738 -0.206 0.000 0.898 819 Q HN 0.817 nan 8.270 nan 0.000 0.430 820 Y N 0.652 120.651 120.300 -0.501 0.000 2.145 820 Y HA -0.272 4.272 4.550 -0.010 0.000 0.286 820 Y C 2.479 177.773 175.900 -1.009 0.000 1.145 820 Y CA 1.290 58.829 58.100 -0.935 0.000 1.148 820 Y CB -0.412 37.189 38.460 -1.433 0.000 0.981 820 Y HN 0.154 nan 8.280 nan 0.000 0.507 821 A N 0.295 122.868 122.820 -0.411 0.000 1.877 821 A HA -0.215 4.099 4.320 -0.010 0.000 0.216 821 A C 2.244 179.837 177.584 0.014 0.000 1.186 821 A CA 2.001 54.053 52.037 0.024 0.000 0.620 821 A CB -0.532 18.567 19.000 0.164 0.000 0.822 821 A HN 0.423 nan 8.150 nan 0.000 0.443 822 R N -0.556 119.914 120.500 -0.050 0.000 2.093 822 R HA -0.022 4.312 4.340 -0.010 0.000 0.224 822 R C 1.722 177.995 176.300 -0.046 0.000 1.101 822 R CA 1.399 57.483 56.100 -0.027 0.000 0.979 822 R CB -0.178 30.102 30.300 -0.034 0.000 0.877 822 R HN 0.670 nan 8.270 nan 0.000 0.441 823 E N -0.358 119.774 120.200 -0.114 0.000 2.452 823 E HA 0.093 4.437 4.350 -0.010 0.000 0.197 823 E C 1.377 177.925 176.600 -0.088 0.000 1.022 823 E CA 0.452 56.790 56.400 -0.103 0.000 0.890 823 E CB 0.531 30.143 29.700 -0.147 0.000 0.918 823 E HN 0.320 nan 8.360 nan 0.000 0.496 824 I N -1.161 119.325 120.570 -0.140 0.000 4.046 824 I HA 0.029 4.192 4.170 -0.010 0.000 0.285 824 I C 1.266 177.520 176.117 0.228 0.000 1.183 824 I CA -0.091 61.190 61.300 -0.031 0.000 1.337 824 I CB 0.267 38.111 38.000 -0.260 0.000 1.478 824 I HN 0.102 nan 8.210 nan 0.000 0.452 825 W N 1.660 123.053 121.300 0.156 0.000 2.658 825 W HA 0.330 4.984 4.660 -0.010 0.000 0.263 825 W C 1.457 178.012 176.519 0.060 0.000 1.274 825 W CA 0.785 58.202 57.345 0.120 0.000 1.343 825 W CB -1.088 28.430 29.460 0.096 0.000 1.106 825 W HN 0.311 nan 8.180 nan 0.000 0.615 826 G N 1.299 110.236 108.800 0.228 0.000 2.289 826 G HA2 -0.084 3.870 3.960 -0.010 0.000 0.280 826 G HA3 -0.084 3.870 3.960 -0.010 0.000 0.280 826 G C -0.362 174.611 174.900 0.122 0.000 1.089 826 G CA 0.243 45.420 45.100 0.128 0.000 0.939 826 G HN 0.461 nan 8.290 nan 0.000 0.499 827 V N -4.239 115.765 119.914 0.150 0.000 2.925 827 V HA 0.897 5.011 4.120 -0.010 0.000 0.311 827 V C -0.430 175.724 176.094 0.099 0.000 1.104 827 V CA -1.682 60.688 62.300 0.117 0.000 0.954 827 V CB 2.352 34.255 31.823 0.135 0.000 1.022 827 V HN 0.141 nan 8.190 nan 0.000 0.427 828 E N 4.177 124.418 120.200 0.068 0.000 2.174 828 E HA 0.505 4.849 4.350 -0.010 0.000 0.282 828 E C -2.484 174.151 176.600 0.058 0.000 0.992 828 E CA -1.757 54.676 56.400 0.055 0.000 0.803 828 E CB 1.858 31.582 29.700 0.040 0.000 1.090 828 E HN 0.770 nan 8.360 nan 0.000 0.396 829 P HA 0.100 nan 4.420 nan 0.000 0.272 829 P C -0.472 176.855 177.300 0.045 0.000 1.223 829 P CA -0.310 62.822 63.100 0.054 0.000 0.784 829 P CB 1.086 32.813 31.700 0.046 0.000 0.923 830 S N 1.008 116.736 115.700 0.047 0.000 2.541 830 S HA 0.375 4.839 4.470 -0.010 0.000 0.280 830 S C 0.273 174.896 174.600 0.039 0.000 1.112 830 S CA -0.774 57.452 58.200 0.043 0.000 0.925 830 S CB 1.072 64.304 63.200 0.054 0.000 1.067 830 S HN 0.296 nan 8.310 nan 0.000 0.479 831 R N 2.366 122.884 120.500 0.032 0.000 2.552 831 R HA 0.218 4.552 4.340 -0.010 0.000 0.314 831 R C -0.292 176.019 176.300 0.019 0.000 1.041 831 R CA -0.058 56.059 56.100 0.028 0.000 1.076 831 R CB 0.313 30.630 30.300 0.028 0.000 1.290 831 R HN 0.661 nan 8.270 nan 0.000 0.563 832 Q N 1.073 120.883 119.800 0.018 0.000 2.288 832 Q HA 0.173 4.507 4.340 -0.010 0.000 0.258 832 Q C -0.278 175.713 176.000 -0.014 0.000 0.957 832 Q CA -0.105 55.702 55.803 0.006 0.000 0.919 832 Q CB 1.184 29.931 28.738 0.015 0.000 1.185 832 Q HN -0.175 nan 8.270 nan 0.000 0.408 833 R N 1.542 122.026 120.500 -0.026 0.000 2.641 833 R HA 0.277 4.611 4.340 -0.010 0.000 0.269 833 R C -0.466 175.793 176.300 -0.068 0.000 1.074 833 R CA 0.105 56.177 56.100 -0.048 0.000 1.133 833 R CB 0.425 30.697 30.300 -0.048 0.000 1.029 833 R HN 0.495 nan 8.270 nan 0.000 0.488 834 L N 4.425 125.591 121.223 -0.095 0.000 2.334 834 L HA 0.484 4.818 4.340 -0.010 0.000 0.275 834 L C -1.858 174.956 176.870 -0.094 0.000 1.036 834 L CA -2.260 52.497 54.840 -0.139 0.000 0.807 834 L CB 1.859 43.795 42.059 -0.204 0.000 1.231 834 L HN 0.469 nan 8.230 nan 0.000 0.438 835 P HA 0.101 nan 4.420 nan 0.000 0.267 835 P C -0.816 176.458 177.300 -0.044 0.000 1.209 835 P CA -0.104 62.967 63.100 -0.049 0.000 0.763 835 P CB 1.166 32.846 31.700 -0.034 0.000 0.816 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.010 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486