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 2g9r_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 EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.942 119.617 120.570 -0.019 0.000 2.648 13 I HA 0.580 4.743 4.170 -0.012 0.000 0.304 13 I C 0.990 177.107 176.117 -0.001 0.000 1.009 13 I CA -0.295 61.002 61.300 -0.006 0.000 1.114 13 I CB 1.847 39.849 38.000 0.002 0.000 1.293 13 I HN 0.143 nan 8.210 nan 0.000 0.449 14 S N 2.907 118.612 115.700 0.009 0.000 2.348 14 S HA -0.152 4.311 4.470 -0.012 0.000 0.221 14 S C 1.780 176.390 174.600 0.017 0.000 1.033 14 S CA 1.943 60.151 58.200 0.013 0.000 1.010 14 S CB -0.599 62.614 63.200 0.022 0.000 0.891 14 S HN 0.771 nan 8.310 nan 0.000 0.442 15 V N 0.029 119.961 119.914 0.029 0.000 3.026 15 V HA 0.084 4.197 4.120 -0.012 0.000 0.265 15 V C 1.969 178.078 176.094 0.024 0.000 1.121 15 V CA 1.525 63.845 62.300 0.034 0.000 1.142 15 V CB -1.098 30.753 31.823 0.045 0.000 0.730 15 V HN 0.393 nan 8.190 nan 0.000 0.503 16 R N 1.104 121.609 120.500 0.009 0.000 2.334 16 R HA 0.443 4.776 4.340 -0.012 0.000 0.220 16 R C 1.148 177.438 176.300 -0.017 0.000 0.917 16 R CA 0.534 56.632 56.100 -0.003 0.000 1.073 16 R CB 0.083 30.378 30.300 -0.009 0.000 1.056 16 R HN 0.765 nan 8.270 nan 0.000 0.506 17 G N 0.688 109.478 108.800 -0.017 0.000 2.728 17 G HA2 -0.222 3.731 3.960 -0.012 0.000 0.294 17 G HA3 -0.222 3.731 3.960 -0.012 0.000 0.294 17 G C -0.853 174.030 174.900 -0.029 0.000 1.342 17 G CA -1.060 44.021 45.100 -0.031 0.000 0.866 17 G HN -0.023 nan 8.290 nan 0.000 0.534 18 L N 0.325 121.528 121.223 -0.033 0.000 2.375 18 L HA 0.672 5.005 4.340 -0.012 0.000 0.271 18 L C 1.208 178.061 176.870 -0.029 0.000 1.107 18 L CA 0.401 55.224 54.840 -0.028 0.000 0.806 18 L CB 1.014 43.058 42.059 -0.025 0.000 1.146 18 L HN 1.594 nan 8.230 nan 0.000 0.447 19 A N 2.077 124.883 122.820 -0.024 0.000 3.150 19 A HA 0.597 4.910 4.320 -0.012 0.000 0.328 19 A C 0.615 178.191 177.584 -0.014 0.000 1.104 19 A CA -0.330 51.694 52.037 -0.021 0.000 0.937 19 A CB -0.184 18.801 19.000 -0.025 0.000 1.073 19 A HN 0.789 nan 8.150 nan 0.000 0.497 20 G N -0.400 108.394 108.800 -0.011 0.000 2.569 20 G HA2 0.371 4.324 3.960 -0.012 0.000 0.249 20 G HA3 0.371 4.324 3.960 -0.012 0.000 0.249 20 G C 0.988 175.890 174.900 0.003 0.000 1.216 20 G CA -0.022 45.075 45.100 -0.004 0.000 0.845 20 G HN 0.402 nan 8.290 nan 0.000 0.568 21 V N 1.123 121.040 119.914 0.005 0.000 2.295 21 V HA -0.147 3.966 4.120 -0.012 0.000 0.246 21 V C 2.719 178.822 176.094 0.015 0.000 1.049 21 V CA 2.325 64.631 62.300 0.009 0.000 1.024 21 V CB -0.642 31.186 31.823 0.008 0.000 0.648 21 V HN 0.760 nan 8.190 nan 0.000 0.447 22 E N 0.385 120.594 120.200 0.016 0.000 2.072 22 E HA -0.170 4.173 4.350 -0.012 0.000 0.191 22 E C 2.101 178.721 176.600 0.034 0.000 0.985 22 E CA 1.390 57.804 56.400 0.024 0.000 0.801 22 E CB -0.283 29.430 29.700 0.022 0.000 0.750 22 E HN 0.571 nan 8.360 nan 0.000 0.452 23 N N -0.765 117.953 118.700 0.030 0.000 2.142 23 N HA -0.115 4.618 4.740 -0.012 0.000 0.186 23 N C 1.603 177.137 175.510 0.040 0.000 1.023 23 N CA 0.928 54.000 53.050 0.038 0.000 0.852 23 N CB -0.119 38.376 38.487 0.013 0.000 0.998 23 N HN -0.020 nan 8.380 nan 0.000 0.424 24 V N 0.296 120.225 119.914 0.025 0.000 2.343 24 V HA -0.219 3.894 4.120 -0.012 0.000 0.247 24 V C 1.982 178.096 176.094 0.034 0.000 1.051 24 V CA 1.897 64.211 62.300 0.024 0.000 1.036 24 V CB -0.925 30.907 31.823 0.014 0.000 0.654 24 V HN 0.402 nan 8.190 nan 0.000 0.451 25 T N -0.512 114.063 114.554 0.034 0.000 2.746 25 T HA -0.219 4.123 4.350 -0.012 0.000 0.267 25 T C 1.898 176.632 174.700 0.057 0.000 1.039 25 T CA 1.753 63.876 62.100 0.038 0.000 1.142 25 T CB -0.175 68.711 68.868 0.030 0.000 0.866 25 T HN 0.514 nan 8.240 nan 0.000 0.444 26 E N 0.986 121.228 120.200 0.069 0.000 2.072 26 E HA 0.008 4.351 4.350 -0.012 0.000 0.191 26 E C 2.023 178.702 176.600 0.133 0.000 0.985 26 E CA 0.776 57.231 56.400 0.092 0.000 0.801 26 E CB -0.488 29.271 29.700 0.099 0.000 0.750 26 E HN 0.432 nan 8.360 nan 0.000 0.452 27 L N 0.201 121.508 121.223 0.139 0.000 2.046 27 L HA -0.177 4.156 4.340 -0.012 0.000 0.208 27 L C 2.479 179.459 176.870 0.183 0.000 1.077 27 L CA 1.455 56.400 54.840 0.176 0.000 0.747 27 L CB -0.323 41.810 42.059 0.123 0.000 0.896 27 L HN 0.078 nan 8.230 nan 0.000 0.432 28 K N 0.436 120.903 120.400 0.112 0.000 2.063 28 K HA -0.216 4.097 4.320 -0.012 0.000 0.208 28 K C 2.141 178.843 176.600 0.170 0.000 1.048 28 K CA 1.817 58.160 56.287 0.094 0.000 0.928 28 K CB -0.061 32.456 32.500 0.028 0.000 0.713 28 K HN 0.378 nan 8.250 nan 0.000 0.442 29 K N 0.089 120.571 120.400 0.137 0.000 2.103 29 K HA -0.038 4.275 4.320 -0.012 0.000 0.204 29 K C 1.552 178.244 176.600 0.154 0.000 1.052 29 K CA 1.247 57.610 56.287 0.127 0.000 0.945 29 K CB -0.112 32.437 32.500 0.082 0.000 0.722 29 K HN 0.010 nan 8.250 nan 0.000 0.443 30 N N 0.572 119.377 118.700 0.175 0.000 2.244 30 N HA -0.118 4.615 4.740 -0.012 0.000 0.183 30 N C 1.609 177.291 175.510 0.286 0.000 1.016 30 N CA 0.962 54.120 53.050 0.181 0.000 0.866 30 N CB -0.257 38.349 38.487 0.198 0.000 0.980 30 N HN 0.209 nan 8.380 nan 0.000 0.430 31 F N 2.633 122.691 119.950 0.179 0.000 2.102 31 F HA -0.125 4.395 4.527 -0.012 0.000 0.298 31 F C 2.053 177.959 175.800 0.176 0.000 1.105 31 F CA 1.330 59.444 58.000 0.191 0.000 1.239 31 F CB -0.174 38.907 39.000 0.135 0.000 0.991 31 F HN -0.029 nan 8.300 nan 0.000 0.474 32 N N 0.458 119.388 118.700 0.382 0.000 2.166 32 N HA -0.190 4.543 4.740 -0.012 0.000 0.186 32 N C 2.033 177.614 175.510 0.118 0.000 1.019 32 N CA 1.163 54.354 53.050 0.235 0.000 0.856 32 N CB -0.543 38.064 38.487 0.200 0.000 0.993 32 N HN 0.379 nan 8.380 nan 0.000 0.426 33 R N 0.319 120.892 120.500 0.122 0.000 2.073 33 R HA -0.115 4.218 4.340 -0.012 0.000 0.234 33 R C 1.841 178.206 176.300 0.109 0.000 1.134 33 R CA 1.543 57.735 56.100 0.153 0.000 0.952 33 R CB -0.231 30.112 30.300 0.073 0.000 0.850 33 R HN 0.374 nan 8.270 nan 0.000 0.433 34 H N -0.362 118.743 119.070 0.059 0.000 2.387 34 H HA -0.128 4.421 4.556 -0.012 0.000 0.299 34 H C 1.872 177.128 175.328 -0.119 0.000 1.090 34 H CA 1.501 57.517 56.048 -0.052 0.000 1.332 34 H CB 0.035 29.730 29.762 -0.111 0.000 1.386 34 H HN 0.132 nan 8.280 nan 0.000 0.516 35 L N -0.071 121.126 121.223 -0.043 0.000 2.079 35 L HA -0.201 4.132 4.340 -0.012 0.000 0.210 35 L C 2.197 179.038 176.870 -0.049 0.000 1.081 35 L CA 1.913 56.703 54.840 -0.084 0.000 0.752 35 L CB -0.426 41.590 42.059 -0.071 0.000 0.896 35 L HN 0.318 nan 8.230 nan 0.000 0.433 36 H N -1.947 117.030 119.070 -0.155 0.000 2.287 36 H HA -0.043 4.506 4.556 -0.012 0.000 0.309 36 H C 1.785 176.916 175.328 -0.329 0.000 1.059 36 H CA 2.116 57.981 56.048 -0.305 0.000 1.357 36 H CB -0.220 29.247 29.762 -0.492 0.000 1.409 36 H HN 0.275 nan 8.280 nan 0.000 0.515 37 F N -0.378 119.558 119.950 -0.023 0.000 2.293 37 F HA 0.001 4.521 4.527 -0.012 0.000 0.297 37 F C 2.526 178.247 175.800 -0.132 0.000 1.089 37 F CA 1.352 59.295 58.000 -0.096 0.000 1.377 37 F CB -0.336 38.637 39.000 -0.044 0.000 1.051 37 F HN 0.185 nan 8.300 nan 0.000 0.511 38 T N -0.205 114.373 114.554 0.041 0.000 2.953 38 T HA 0.094 4.436 4.350 -0.012 0.000 0.247 38 T C 1.984 176.593 174.700 -0.153 0.000 1.029 38 T CA 0.752 62.807 62.100 -0.076 0.000 1.144 38 T CB -0.261 68.534 68.868 -0.122 0.000 0.870 38 T HN 0.095 nan 8.240 nan 0.000 0.446 39 L N 1.277 122.410 121.223 -0.149 0.000 2.446 39 L HA 0.188 4.521 4.340 -0.012 0.000 0.219 39 L C 0.365 177.141 176.870 -0.155 0.000 1.116 39 L CA -0.054 54.689 54.840 -0.162 0.000 0.844 39 L CB -0.107 41.865 42.059 -0.145 0.000 0.970 39 L HN -0.005 nan 8.230 nan 0.000 0.457 40 V N 0.593 120.400 119.914 -0.178 0.000 6.078 40 V HA -0.276 3.837 4.120 -0.012 0.000 0.301 40 V C -0.059 175.925 176.094 -0.184 0.000 0.571 40 V CA 1.110 63.278 62.300 -0.220 0.000 0.625 40 V CB -2.202 29.518 31.823 -0.172 0.000 0.271 40 V HN 0.431 nan 8.190 nan 0.000 0.788 41 K N 1.102 121.399 120.400 -0.171 0.000 2.480 41 K HA 0.751 5.064 4.320 -0.012 0.000 0.258 41 K C -0.593 175.971 176.600 -0.061 0.000 0.990 41 K CA -0.526 55.694 56.287 -0.112 0.000 0.857 41 K CB 2.847 35.280 32.500 -0.111 0.000 1.384 41 K HN 0.501 nan 8.250 nan 0.000 0.446 42 D N -0.492 119.896 120.400 -0.019 0.000 2.493 42 D HA 0.312 4.945 4.640 -0.012 0.000 0.239 42 D C 0.658 176.994 176.300 0.060 0.000 1.049 42 D CA -0.640 53.384 54.000 0.041 0.000 1.008 42 D CB 0.993 41.821 40.800 0.047 0.000 1.398 42 D HN 0.116 nan 8.370 nan 0.000 0.513 43 R N 0.123 120.692 120.500 0.115 0.000 2.170 43 R HA -0.073 4.260 4.340 -0.012 0.000 0.242 43 R C 1.068 177.445 176.300 0.129 0.000 1.145 43 R CA 0.860 57.069 56.100 0.182 0.000 0.984 43 R CB -0.775 29.631 30.300 0.176 0.000 0.869 43 R HN 0.537 nan 8.270 nan 0.000 0.455 44 N N 0.320 119.063 118.700 0.072 0.000 2.459 44 N HA -0.084 4.649 4.740 -0.012 0.000 0.181 44 N C 1.632 177.161 175.510 0.030 0.000 1.046 44 N CA 1.282 54.362 53.050 0.050 0.000 0.904 44 N CB 0.223 38.730 38.487 0.032 0.000 0.964 44 N HN 0.271 nan 8.380 nan 0.000 0.444 45 V N -3.211 116.708 119.914 0.010 0.000 3.604 45 V HA 0.518 4.631 4.120 -0.012 0.000 0.277 45 V C 0.817 176.877 176.094 -0.057 0.000 1.399 45 V CA -0.432 61.857 62.300 -0.017 0.000 1.034 45 V CB -0.314 31.493 31.823 -0.027 0.000 0.824 45 V HN 0.044 nan 8.190 nan 0.000 0.439 46 A N 2.398 125.161 122.820 -0.096 0.000 2.477 46 A HA 0.574 4.887 4.320 -0.012 0.000 0.246 46 A C 0.744 178.144 177.584 -0.306 0.000 1.078 46 A CA 0.768 52.632 52.037 -0.288 0.000 0.770 46 A CB -0.179 18.510 19.000 -0.520 0.000 1.011 46 A HN 0.825 nan 8.150 nan 0.000 0.494 47 T N 0.354 114.732 114.554 -0.293 0.000 2.936 47 T HA 0.554 4.897 4.350 -0.012 0.000 0.282 47 T C -2.069 172.534 174.700 -0.162 0.000 1.003 47 T CA -1.732 60.282 62.100 -0.143 0.000 1.005 47 T CB 1.079 69.914 68.868 -0.055 0.000 1.097 47 T HN 0.262 nan 8.240 nan 0.000 0.532 48 P HA -0.116 nan 4.420 nan 0.000 0.216 48 P C 1.634 179.042 177.300 0.180 0.000 1.150 48 P CA 1.020 64.256 63.100 0.228 0.000 0.843 48 P CB 0.024 31.824 31.700 0.166 0.000 0.787 49 R N 0.097 120.651 120.500 0.090 0.000 2.091 49 R HA -0.161 4.172 4.340 -0.012 0.000 0.238 49 R C 1.710 178.174 176.300 0.274 0.000 1.136 49 R CA 1.955 58.145 56.100 0.150 0.000 0.959 49 R CB -0.775 29.545 30.300 0.033 0.000 0.856 49 R HN 0.106 nan 8.270 nan 0.000 0.437 50 D N -0.421 120.019 120.400 0.066 0.000 2.117 50 D HA -0.187 4.446 4.640 -0.012 0.000 0.197 50 D C 1.762 178.081 176.300 0.032 0.000 0.987 50 D CA 1.324 55.318 54.000 -0.009 0.000 0.829 50 D CB -0.312 40.341 40.800 -0.245 0.000 0.961 50 D HN 0.317 nan 8.370 nan 0.000 0.460 51 Y N 0.161 120.567 120.300 0.177 0.000 2.181 51 Y HA -0.206 4.337 4.550 -0.012 0.000 0.288 51 Y C 2.338 178.377 175.900 0.232 0.000 1.146 51 Y CA 0.301 58.548 58.100 0.245 0.000 1.164 51 Y CB -1.203 37.456 38.460 0.330 0.000 0.982 51 Y HN 0.085 nan 8.280 nan 0.000 0.515 52 Y N -0.399 120.046 120.300 0.243 0.000 2.097 52 Y HA -0.307 4.235 4.550 -0.012 0.000 0.282 52 Y C 2.027 177.907 175.900 -0.033 0.000 1.152 52 Y CA 1.411 59.551 58.100 0.066 0.000 1.136 52 Y CB -1.162 37.243 38.460 -0.092 0.000 0.975 52 Y HN 0.048 nan 8.280 nan 0.000 0.498 53 F N 0.194 119.942 119.950 -0.335 0.000 2.171 53 F HA -0.154 4.366 4.527 -0.011 0.000 0.300 53 F C 2.644 178.288 175.800 -0.260 0.000 1.090 53 F CA 1.325 59.069 58.000 -0.426 0.000 1.293 53 F CB -0.826 38.100 39.000 -0.123 0.000 1.013 53 F HN 0.214 nan 8.300 nan 0.000 0.486 54 A N -0.161 122.613 122.820 -0.078 0.000 1.902 54 A HA -0.188 4.125 4.320 -0.012 0.000 0.217 54 A C 2.061 179.510 177.584 -0.225 0.000 1.181 54 A CA 1.642 53.502 52.037 -0.296 0.000 0.623 54 A CB -1.017 17.485 19.000 -0.831 0.000 0.818 54 A HN 0.353 nan 8.150 nan 0.000 0.443 55 L N -0.251 120.953 121.223 -0.032 0.000 2.027 55 L HA -0.011 4.322 4.340 -0.012 0.000 0.206 55 L C 2.694 179.537 176.870 -0.044 0.000 1.074 55 L CA 2.208 57.152 54.840 0.173 0.000 0.745 55 L CB -0.949 41.287 42.059 0.295 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.087 121.531 122.820 -0.336 0.000 1.892 56 A HA -0.317 3.996 4.320 -0.012 0.000 0.218 56 A C 2.156 179.379 177.584 -0.602 0.000 1.188 56 A CA 2.217 53.926 52.037 -0.546 0.000 0.631 56 A CB -1.210 17.126 19.000 -1.108 0.000 0.822 56 A HN 0.706 nan 8.150 nan 0.000 0.447 57 H N -0.949 117.800 119.070 -0.535 0.000 2.387 57 H HA -0.053 4.496 4.556 -0.012 0.000 0.299 57 H C 2.355 177.374 175.328 -0.516 0.000 1.090 57 H CA 1.913 57.563 56.048 -0.662 0.000 1.332 57 H CB -0.140 28.997 29.762 -1.042 0.000 1.386 57 H HN 0.482 nan 8.280 nan 0.000 0.516 58 T N -0.316 114.158 114.554 -0.133 0.000 2.737 58 T HA -0.130 4.213 4.350 -0.012 0.000 0.265 58 T C 2.269 177.118 174.700 0.249 0.000 1.038 58 T CA 1.347 63.556 62.100 0.180 0.000 1.144 58 T CB -0.392 68.654 68.868 0.297 0.000 0.866 58 T HN 0.093 nan 8.240 nan 0.000 0.434 59 V N 1.637 121.667 119.914 0.194 0.000 2.358 59 V HA -0.142 3.971 4.120 -0.012 0.000 0.246 59 V C 2.631 178.892 176.094 0.278 0.000 1.047 59 V CA 1.609 64.063 62.300 0.256 0.000 1.035 59 V CB -0.661 31.308 31.823 0.243 0.000 0.658 59 V HN 0.374 nan 8.190 nan 0.000 0.452 60 R N 0.270 120.880 120.500 0.182 0.000 2.103 60 R HA -0.240 4.093 4.340 -0.012 0.000 0.242 60 R C 2.007 178.405 176.300 0.164 0.000 1.142 60 R CA 2.274 58.476 56.100 0.171 0.000 0.960 60 R CB -0.491 29.749 30.300 -0.101 0.000 0.858 60 R HN 0.488 nan 8.270 nan 0.000 0.439 61 D N -0.200 120.281 120.400 0.135 0.000 2.158 61 D HA -0.184 4.449 4.640 -0.012 0.000 0.197 61 D C 1.801 178.119 176.300 0.030 0.000 0.995 61 D CA 1.197 55.252 54.000 0.092 0.000 0.846 61 D CB -0.468 40.379 40.800 0.078 0.000 0.941 61 D HN 0.475 nan 8.370 nan 0.000 0.456 62 H N -0.215 118.919 119.070 0.107 0.000 2.491 62 H HA 0.013 4.562 4.556 -0.011 0.000 0.290 62 H C 2.291 177.661 175.328 0.071 0.000 1.050 62 H CA 0.432 56.527 56.048 0.079 0.000 1.309 62 H CB 0.190 29.990 29.762 0.063 0.000 1.392 62 H HN 0.206 nan 8.280 nan 0.000 0.554 63 L N 0.509 121.843 121.223 0.186 0.000 2.131 63 L HA -0.117 4.216 4.340 -0.012 0.000 0.206 63 L C 2.810 179.793 176.870 0.188 0.000 1.087 63 L CA 0.656 55.572 54.840 0.126 0.000 0.767 63 L CB -0.213 41.889 42.059 0.072 0.000 0.917 63 L HN 0.129 nan 8.230 nan 0.000 0.441 64 V N -2.449 117.604 119.914 0.230 0.000 2.407 64 V HA -0.091 4.022 4.120 -0.012 0.000 0.248 64 V C 2.291 178.508 176.094 0.205 0.000 1.055 64 V CA 1.865 64.349 62.300 0.307 0.000 1.049 64 V CB -1.642 30.325 31.823 0.239 0.000 0.662 64 V HN 0.370 nan 8.190 nan 0.000 0.455 65 G N 0.509 109.381 108.800 0.121 0.000 2.459 65 G HA2 -0.253 3.700 3.960 -0.012 0.000 0.217 65 G HA3 -0.253 3.700 3.960 -0.012 0.000 0.217 65 G C 1.756 176.704 174.900 0.081 0.000 1.183 65 G CA 1.052 46.195 45.100 0.072 0.000 0.776 65 G HN 0.544 nan 8.290 nan 0.000 0.552 66 R N -1.449 119.107 120.500 0.095 0.000 2.092 66 R HA -0.068 4.265 4.340 -0.012 0.000 0.231 66 R C 2.265 178.647 176.300 0.136 0.000 1.119 66 R CA 1.132 57.276 56.100 0.073 0.000 0.970 66 R CB -0.375 29.952 30.300 0.045 0.000 0.864 66 R HN 0.477 nan 8.270 nan 0.000 0.440 67 W N 1.629 122.912 121.300 -0.029 0.000 2.355 67 W HA -0.088 4.565 4.660 -0.011 0.000 0.309 67 W C 1.701 178.196 176.519 -0.040 0.000 1.206 67 W CA 0.977 58.303 57.345 -0.032 0.000 1.284 67 W CB -0.563 28.898 29.460 0.000 0.000 1.145 67 W HN -0.026 nan 8.180 nan 0.000 0.502 68 I N 0.974 121.603 120.570 0.099 0.000 2.252 68 I HA -0.327 3.836 4.170 -0.012 0.000 0.245 68 I C 2.644 178.748 176.117 -0.022 0.000 1.102 68 I CA 1.936 63.211 61.300 -0.041 0.000 1.385 68 I CB -0.612 37.364 38.000 -0.039 0.000 1.064 68 I HN -0.015 nan 8.210 nan 0.000 0.414 69 R N 0.292 120.793 120.500 0.002 0.000 2.153 69 R HA -0.023 4.310 4.340 -0.012 0.000 0.218 69 R C 1.914 178.185 176.300 -0.049 0.000 1.072 69 R CA 1.369 57.462 56.100 -0.013 0.000 0.990 69 R CB -1.145 29.148 30.300 -0.013 0.000 0.889 69 R HN 0.178 nan 8.270 nan 0.000 0.452 70 T N 1.756 116.258 114.554 -0.087 0.000 2.674 70 T HA -0.110 4.233 4.350 -0.012 0.000 0.265 70 T C 1.819 176.263 174.700 -0.426 0.000 1.039 70 T CA 1.377 63.315 62.100 -0.271 0.000 1.150 70 T CB -0.119 68.616 68.868 -0.222 0.000 0.864 70 T HN 0.239 nan 8.240 nan 0.000 0.427 71 Q N 0.756 120.448 119.800 -0.179 0.000 2.167 71 Q HA -0.066 4.267 4.340 -0.012 0.000 0.202 71 Q C 2.336 178.357 176.000 0.034 0.000 0.970 71 Q CA 1.186 56.960 55.803 -0.048 0.000 0.855 71 Q CB -0.466 28.275 28.738 0.004 0.000 0.911 71 Q HN 0.503 nan 8.270 nan 0.000 0.438 72 Q N 0.257 120.067 119.800 0.016 0.000 2.050 72 Q HA -0.189 4.143 4.340 -0.012 0.000 0.202 72 Q C 1.935 178.022 176.000 0.144 0.000 0.980 72 Q CA 1.924 57.781 55.803 0.091 0.000 0.840 72 Q CB -0.395 28.377 28.738 0.056 0.000 0.898 72 Q HN 0.543 nan 8.270 nan 0.000 0.424 73 H N -0.952 118.095 119.070 -0.037 0.000 2.353 73 H HA -0.190 4.359 4.556 -0.012 0.000 0.298 73 H C 1.185 176.573 175.328 0.099 0.000 1.103 73 H CA 2.301 58.334 56.048 -0.026 0.000 1.293 73 H CB -0.321 29.363 29.762 -0.131 0.000 1.372 73 H HN 0.371 nan 8.280 nan 0.000 0.501 74 Y N -1.108 119.209 120.300 0.029 0.000 2.293 74 Y HA -0.173 4.370 4.550 -0.012 0.000 0.291 74 Y C 2.403 178.320 175.900 0.029 0.000 1.137 74 Y CA 1.011 59.102 58.100 -0.016 0.000 1.202 74 Y CB -1.297 37.220 38.460 0.094 0.000 0.990 74 Y HN 0.364 nan 8.280 nan 0.000 0.537 75 Y N 1.310 121.681 120.300 0.118 0.000 2.200 75 Y HA -0.161 4.382 4.550 -0.012 0.000 0.290 75 Y C 2.082 177.986 175.900 0.007 0.000 1.137 75 Y CA 1.574 59.707 58.100 0.056 0.000 1.163 75 Y CB -0.099 38.385 38.460 0.040 0.000 0.988 75 Y HN 0.072 nan 8.280 nan 0.000 0.518 76 E N 0.411 120.576 120.200 -0.058 0.000 2.028 76 E HA -0.176 4.167 4.350 -0.012 0.000 0.191 76 E C 1.939 178.434 176.600 -0.176 0.000 0.988 76 E CA 1.356 57.669 56.400 -0.145 0.000 0.799 76 E CB -0.301 29.380 29.700 -0.032 0.000 0.755 76 E HN 0.482 nan 8.360 nan 0.000 0.447 77 K N 0.744 121.036 120.400 -0.181 0.000 2.418 77 K HA -0.062 4.251 4.320 -0.012 0.000 0.195 77 K C -0.023 176.504 176.600 -0.121 0.000 1.035 77 K CA 0.307 56.493 56.287 -0.168 0.000 1.003 77 K CB -0.011 32.331 32.500 -0.264 0.000 0.793 77 K HN 0.006 nan 8.250 nan 0.000 0.494 78 D N 1.353 121.688 120.400 -0.108 0.000 2.740 78 D HA -0.107 4.526 4.640 -0.012 0.000 0.231 78 D C -2.408 173.854 176.300 -0.062 0.000 1.194 78 D CA 0.161 54.113 54.000 -0.080 0.000 0.673 78 D CB -0.097 40.633 40.800 -0.118 0.000 0.995 78 D HN 0.187 nan 8.370 nan 0.000 0.411 79 P HA 0.110 nan 4.420 nan 0.000 0.276 79 P C -0.120 177.131 177.300 -0.082 0.000 1.261 79 P CA -0.611 62.444 63.100 -0.075 0.000 0.800 79 P CB 0.622 32.262 31.700 -0.100 0.000 1.066 80 K N 1.227 121.583 120.400 -0.073 0.000 2.451 80 K HA 0.035 4.348 4.320 -0.012 0.000 0.280 80 K C -0.086 176.423 176.600 -0.153 0.000 1.020 80 K CA 0.077 56.315 56.287 -0.083 0.000 1.008 80 K CB 0.174 32.644 32.500 -0.051 0.000 0.917 80 K HN 0.258 nan 8.250 nan 0.000 0.478 81 R N 3.642 124.032 120.500 -0.183 0.000 2.368 81 R HA 0.352 4.685 4.340 -0.012 0.000 0.302 81 R C -0.586 175.429 176.300 -0.475 0.000 1.002 81 R CA -0.507 55.399 56.100 -0.324 0.000 0.929 81 R CB 0.886 30.988 30.300 -0.330 0.000 1.073 81 R HN 0.492 nan 8.270 nan 0.000 0.464 82 I N 4.497 124.738 120.570 -0.547 0.000 2.330 82 I HA 0.211 4.374 4.170 -0.012 0.000 0.289 82 I C -0.690 175.126 176.117 -0.503 0.000 1.001 82 I CA -0.844 60.097 61.300 -0.599 0.000 1.193 82 I CB 0.757 38.291 38.000 -0.776 0.000 1.345 82 I HN 0.530 nan 8.210 nan 0.000 0.461 83 Y N 6.060 126.326 120.300 -0.058 0.000 2.369 83 Y HA 0.292 4.835 4.550 -0.012 0.000 0.337 83 Y C -0.267 175.734 175.900 0.169 0.000 0.961 83 Y CA -0.712 57.473 58.100 0.142 0.000 1.186 83 Y CB 1.068 39.572 38.460 0.073 0.000 1.139 83 Y HN 0.407 nan 8.280 nan 0.000 0.494 84 Y N 4.587 125.068 120.300 0.302 0.000 2.504 84 Y HA 0.496 5.039 4.550 -0.011 0.000 0.339 84 Y C -1.295 174.874 175.900 0.448 0.000 0.974 84 Y CA -0.981 57.304 58.100 0.308 0.000 1.232 84 Y CB 0.326 38.961 38.460 0.292 0.000 1.108 84 Y HN 0.528 nan 8.280 nan 0.000 0.509 85 L N 5.122 126.405 121.223 0.099 0.000 2.260 85 L HA 0.470 4.802 4.340 -0.012 0.000 0.289 85 L C -0.211 176.686 176.870 0.046 0.000 1.057 85 L CA 0.184 55.138 54.840 0.190 0.000 0.811 85 L CB 1.280 43.419 42.059 0.133 0.000 1.184 85 L HN 0.570 nan 8.230 nan 0.000 0.429 86 S N 2.431 118.234 115.700 0.172 0.000 2.540 86 S HA 0.506 4.969 4.470 -0.012 0.000 0.275 86 S C 0.330 175.005 174.600 0.126 0.000 1.123 86 S CA -0.521 57.673 58.200 -0.010 0.000 0.907 86 S CB 1.085 64.037 63.200 -0.413 0.000 1.081 86 S HN 0.477 nan 8.310 nan 0.000 0.476 87 L N 2.808 124.143 121.223 0.186 0.000 2.599 87 L HA 0.417 4.750 4.340 -0.012 0.000 0.230 87 L C 0.339 177.384 176.870 0.292 0.000 1.141 87 L CA 1.015 56.025 54.840 0.282 0.000 0.877 87 L CB -0.098 42.140 42.059 0.299 0.000 1.009 87 L HN 0.639 nan 8.230 nan 0.000 0.447 88 E N -1.237 119.005 120.200 0.069 0.000 2.275 88 E HA 0.405 4.748 4.350 -0.012 0.000 0.270 88 E C -1.401 175.052 176.600 -0.245 0.000 0.882 88 E CA -0.444 55.986 56.400 0.049 0.000 0.758 88 E CB 1.861 31.579 29.700 0.030 0.000 1.195 88 E HN -0.167 nan 8.360 nan 0.000 0.419 89 F N 2.152 122.208 119.950 0.176 0.000 2.659 89 F HA 0.189 4.709 4.527 -0.012 0.000 0.342 89 F C -0.829 175.054 175.800 0.137 0.000 1.168 89 F CA -0.814 57.278 58.000 0.153 0.000 1.003 89 F CB 1.038 40.118 39.000 0.134 0.000 1.267 89 F HN 0.475 nan 8.300 nan 0.000 0.463 90 Y N 5.407 125.783 120.300 0.126 0.000 2.714 90 Y HA 0.254 4.798 4.550 -0.011 0.000 0.333 90 Y C 0.816 176.734 175.900 0.030 0.000 1.220 90 Y CA -1.161 56.961 58.100 0.037 0.000 1.513 90 Y CB 0.406 38.868 38.460 0.003 0.000 1.435 90 Y HN 0.568 nan 8.280 nan 0.000 0.489 91 M N 1.794 121.551 119.600 0.261 0.000 2.334 91 M HA 0.124 4.596 4.480 -0.012 0.000 0.266 91 M C 1.550 177.842 176.300 -0.013 0.000 1.082 91 M CA 1.083 56.434 55.300 0.085 0.000 1.141 91 M CB -1.191 31.430 32.600 0.034 0.000 1.380 91 M HN 0.721 nan 8.290 nan 0.000 0.440 92 G N 1.257 110.075 108.800 0.030 0.000 2.569 92 G HA2 -0.279 3.673 3.960 -0.012 0.000 0.259 92 G HA3 -0.279 3.673 3.960 -0.012 0.000 0.259 92 G C -0.243 174.625 174.900 -0.053 0.000 1.263 92 G CA -0.288 44.781 45.100 -0.051 0.000 0.928 92 G HN 0.443 nan 8.290 nan 0.000 0.572 93 R N -0.665 119.778 120.500 -0.095 0.000 2.582 93 R HA 0.546 4.879 4.340 -0.012 0.000 0.271 93 R C 1.104 177.291 176.300 -0.189 0.000 1.078 93 R CA 0.383 56.432 56.100 -0.085 0.000 1.127 93 R CB 0.685 30.938 30.300 -0.078 0.000 1.038 93 R HN 0.524 nan 8.270 nan 0.000 0.500 94 T N 1.312 115.706 114.554 -0.266 0.000 2.978 94 T HA -0.009 4.334 4.350 -0.012 0.000 0.248 94 T C 1.429 175.768 174.700 -0.601 0.000 1.018 94 T CA -0.122 61.607 62.100 -0.618 0.000 1.026 94 T CB 0.137 68.222 68.868 -1.305 0.000 1.032 94 T HN 0.331 nan 8.240 nan 0.000 0.485 95 L N 1.883 122.980 121.223 -0.211 0.000 1.976 95 L HA -0.016 4.317 4.340 -0.012 0.000 0.209 95 L C 2.446 179.290 176.870 -0.044 0.000 1.071 95 L CA 2.008 56.874 54.840 0.043 0.000 0.746 95 L CB -0.641 41.637 42.059 0.365 0.000 0.890 95 L HN 0.173 nan 8.230 nan 0.000 0.432 96 Q N -0.755 119.013 119.800 -0.054 0.000 2.079 96 Q HA -0.242 4.091 4.340 -0.012 0.000 0.200 96 Q C 2.231 178.162 176.000 -0.114 0.000 0.974 96 Q CA 1.754 57.518 55.803 -0.065 0.000 0.840 96 Q CB -0.297 28.399 28.738 -0.070 0.000 0.898 96 Q HN 0.708 nan 8.270 nan 0.000 0.430 97 N N -0.958 117.635 118.700 -0.178 0.000 2.104 97 N HA -0.159 4.574 4.740 -0.012 0.000 0.190 97 N C 1.364 176.769 175.510 -0.175 0.000 1.024 97 N CA 1.855 54.790 53.050 -0.193 0.000 0.853 97 N CB 0.051 38.389 38.487 -0.249 0.000 1.008 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 1.323 115.740 114.554 -0.229 0.000 2.746 98 T HA -0.076 4.267 4.350 -0.012 0.000 0.267 98 T C 2.086 176.725 174.700 -0.102 0.000 1.039 98 T CA 1.144 63.127 62.100 -0.195 0.000 1.142 98 T CB -0.099 68.612 68.868 -0.261 0.000 0.866 98 T HN 0.262 nan 8.240 nan 0.000 0.444 99 M N 0.598 120.155 119.600 -0.071 0.000 2.086 99 M HA -0.106 4.367 4.480 -0.012 0.000 0.261 99 M C 2.515 178.781 176.300 -0.057 0.000 1.067 99 M CA 1.340 56.611 55.300 -0.049 0.000 1.116 99 M CB -0.745 31.842 32.600 -0.022 0.000 1.348 99 M HN 0.090 nan 8.290 nan 0.000 0.407 100 V N 1.094 120.980 119.914 -0.046 0.000 2.252 100 V HA -0.310 3.803 4.120 -0.012 0.000 0.249 100 V C 1.882 177.976 176.094 -0.000 0.000 1.056 100 V CA 2.100 64.396 62.300 -0.007 0.000 1.022 100 V CB -0.925 30.899 31.823 0.002 0.000 0.641 100 V HN 0.485 nan 8.190 nan 0.000 0.445 101 N N -0.484 118.204 118.700 -0.020 0.000 2.381 101 N HA -0.052 4.681 4.740 -0.012 0.000 0.182 101 N C 1.112 176.522 175.510 -0.166 0.000 1.025 101 N CA 0.793 53.811 53.050 -0.053 0.000 0.888 101 N CB -0.131 38.337 38.487 -0.032 0.000 0.965 101 N HN 0.300 nan 8.380 nan 0.000 0.438 102 L N -0.248 120.896 121.223 -0.131 0.000 2.640 102 L HA 0.393 4.725 4.340 -0.012 0.000 0.230 102 L C 0.590 177.374 176.870 -0.143 0.000 1.123 102 L CA -0.189 54.573 54.840 -0.130 0.000 0.900 102 L CB -0.651 41.355 42.059 -0.089 0.000 1.146 102 L HN 0.097 nan 8.230 nan 0.000 0.484 103 A N -0.533 122.199 122.820 -0.146 0.000 2.846 103 A HA -0.209 4.104 4.320 -0.012 0.000 0.287 103 A C 1.010 178.535 177.584 -0.100 0.000 1.469 103 A CA 0.886 52.849 52.037 -0.123 0.000 0.757 103 A CB -1.935 16.980 19.000 -0.142 0.000 1.033 103 A HN 0.198 nan 8.150 nan 0.000 0.516 104 L N -0.781 120.384 121.223 -0.096 0.000 2.766 104 L HA 0.262 4.595 4.340 -0.012 0.000 0.242 104 L C 1.822 178.655 176.870 -0.062 0.000 1.136 104 L CA 1.522 56.300 54.840 -0.102 0.000 0.933 104 L CB -0.282 41.691 42.059 -0.144 0.000 1.241 104 L HN 0.640 nan 8.230 nan 0.000 0.522 105 E N -0.242 119.931 120.200 -0.045 0.000 2.051 105 E HA -0.209 4.134 4.350 -0.012 0.000 0.192 105 E C 1.518 178.105 176.600 -0.022 0.000 0.991 105 E CA 1.181 57.565 56.400 -0.026 0.000 0.799 105 E CB 0.330 30.017 29.700 -0.021 0.000 0.748 105 E HN 0.405 nan 8.360 nan 0.000 0.449 106 N N 0.192 118.875 118.700 -0.028 0.000 2.142 106 N HA -0.104 4.629 4.740 -0.012 0.000 0.186 106 N C 1.609 177.102 175.510 -0.028 0.000 1.023 106 N CA 1.190 54.222 53.050 -0.029 0.000 0.852 106 N CB -0.384 38.084 38.487 -0.031 0.000 0.998 106 N HN 0.195 nan 8.380 nan 0.000 0.424 107 A N 0.582 123.384 122.820 -0.031 0.000 1.883 107 A HA -0.171 4.142 4.320 -0.012 0.000 0.217 107 A C 2.661 180.236 177.584 -0.015 0.000 1.186 107 A CA 1.502 53.523 52.037 -0.026 0.000 0.624 107 A CB -1.071 17.905 19.000 -0.040 0.000 0.822 107 A HN 0.446 nan 8.150 nan 0.000 0.444 108 C N -0.952 118.340 119.300 -0.014 0.000 2.440 108 C HA -0.059 4.394 4.460 -0.012 0.000 0.278 108 C C 2.466 177.458 174.990 0.003 0.000 1.295 108 C CA 1.017 60.038 59.018 0.005 0.000 1.738 108 C CB -1.147 26.607 27.740 0.024 0.000 1.987 108 C HN 0.688 nan 8.230 nan 0.000 0.492 109 D N 0.758 121.160 120.400 0.002 0.000 2.104 109 D HA -0.152 4.481 4.640 -0.012 0.000 0.194 109 D C 2.120 178.432 176.300 0.021 0.000 0.994 109 D CA 1.592 55.596 54.000 0.007 0.000 0.830 109 D CB -0.251 40.542 40.800 -0.012 0.000 0.959 109 D HN 0.472 nan 8.370 nan 0.000 0.452 110 E N 0.208 120.411 120.200 0.004 0.000 2.028 110 E HA -0.061 4.282 4.350 -0.012 0.000 0.191 110 E C 1.911 178.541 176.600 0.051 0.000 0.988 110 E CA 1.636 58.052 56.400 0.027 0.000 0.799 110 E CB -0.607 29.092 29.700 -0.002 0.000 0.755 110 E HN 0.211 nan 8.360 nan 0.000 0.447 111 A N -0.118 122.704 122.820 0.003 0.000 1.892 111 A HA -0.245 4.068 4.320 -0.012 0.000 0.218 111 A C 2.496 180.008 177.584 -0.119 0.000 1.188 111 A CA 3.028 55.041 52.037 -0.039 0.000 0.631 111 A CB -1.499 17.482 19.000 -0.032 0.000 0.822 111 A HN 0.531 nan 8.150 nan 0.000 0.447 112 T N -3.800 110.680 114.554 -0.123 0.000 2.857 112 T HA -0.194 4.149 4.350 -0.012 0.000 0.266 112 T C 1.854 176.476 174.700 -0.130 0.000 1.048 112 T CA 1.451 63.423 62.100 -0.213 0.000 1.139 112 T CB -0.616 68.166 68.868 -0.143 0.000 0.874 112 T HN 0.464 nan 8.240 nan 0.000 0.455 113 Y N 2.200 122.423 120.300 -0.128 0.000 2.165 113 Y HA -0.148 4.396 4.550 -0.011 0.000 0.286 113 Y C 2.653 178.493 175.900 -0.101 0.000 1.155 113 Y CA 1.696 59.738 58.100 -0.096 0.000 1.164 113 Y CB -0.458 37.965 38.460 -0.063 0.000 0.978 113 Y HN 0.245 nan 8.280 nan 0.000 0.513 114 Q N -0.962 118.808 119.800 -0.051 0.000 2.291 114 Q HA -0.115 4.217 4.340 -0.012 0.000 0.205 114 Q C 1.494 177.382 176.000 -0.188 0.000 0.970 114 Q CA 0.796 56.529 55.803 -0.116 0.000 0.876 114 Q CB -0.035 28.695 28.738 -0.014 0.000 0.935 114 Q HN 0.357 nan 8.270 nan 0.000 0.455 115 L N -0.878 120.207 121.223 -0.230 0.000 2.599 115 L HA 0.135 4.468 4.340 -0.012 0.000 0.230 115 L C 1.103 177.805 176.870 -0.280 0.000 1.141 115 L CA 1.194 55.875 54.840 -0.266 0.000 0.877 115 L CB -0.444 41.367 42.059 -0.413 0.000 1.009 115 L HN 0.310 nan 8.230 nan 0.000 0.447 116 G N -0.075 108.542 108.800 -0.306 0.000 2.182 116 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.248 116 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.248 116 G C 0.004 174.754 174.900 -0.249 0.000 1.042 116 G CA 0.212 45.137 45.100 -0.291 0.000 0.775 116 G HN 0.279 nan 8.290 nan 0.000 0.501 117 L N -0.233 120.844 121.223 -0.244 0.000 2.370 117 L HA 0.582 4.915 4.340 -0.012 0.000 0.266 117 L C -0.628 176.202 176.870 -0.066 0.000 1.002 117 L CA -1.187 53.546 54.840 -0.179 0.000 0.818 117 L CB 1.965 43.865 42.059 -0.266 0.000 1.325 117 L HN 0.082 nan 8.230 nan 0.000 0.418 118 D N 2.214 122.608 120.400 -0.010 0.000 2.313 118 D HA 0.178 4.811 4.640 -0.012 0.000 0.239 118 D C 0.582 176.912 176.300 0.050 0.000 1.142 118 D CA -0.190 53.834 54.000 0.040 0.000 0.847 118 D CB 1.617 42.446 40.800 0.048 0.000 1.082 118 D HN 0.507 nan 8.370 nan 0.000 0.480 119 M N 3.271 122.903 119.600 0.054 0.000 2.175 119 M HA -0.121 4.352 4.480 -0.012 0.000 0.264 119 M C 1.351 177.694 176.300 0.072 0.000 1.063 119 M CA 1.435 56.776 55.300 0.067 0.000 1.119 119 M CB 0.217 32.850 32.600 0.056 0.000 1.377 119 M HN 0.416 nan 8.290 nan 0.000 0.415 120 E N -0.154 120.079 120.200 0.056 0.000 2.110 120 E HA -0.262 4.081 4.350 -0.012 0.000 0.193 120 E C 1.832 178.463 176.600 0.052 0.000 0.988 120 E CA 1.405 57.833 56.400 0.047 0.000 0.804 120 E CB -0.220 29.505 29.700 0.041 0.000 0.745 120 E HN 0.651 nan 8.360 nan 0.000 0.458 121 E N 0.645 120.881 120.200 0.060 0.000 2.077 121 E HA -0.206 4.137 4.350 -0.012 0.000 0.193 121 E C 1.973 178.614 176.600 0.068 0.000 0.989 121 E CA 0.686 57.123 56.400 0.062 0.000 0.800 121 E CB 0.141 29.881 29.700 0.066 0.000 0.746 121 E HN 0.078 nan 8.360 nan 0.000 0.452 122 L N 1.410 122.695 121.223 0.104 0.000 2.093 122 L HA -0.129 4.204 4.340 -0.012 0.000 0.208 122 L C 2.121 179.049 176.870 0.097 0.000 1.085 122 L CA 1.629 56.563 54.840 0.158 0.000 0.755 122 L CB -0.560 41.645 42.059 0.244 0.000 0.904 122 L HN 0.139 nan 8.230 nan 0.000 0.435 123 E N -0.705 119.542 120.200 0.078 0.000 2.153 123 E HA -0.199 4.144 4.350 -0.012 0.000 0.194 123 E C 1.847 178.407 176.600 -0.067 0.000 0.988 123 E CA 0.833 57.249 56.400 0.027 0.000 0.811 123 E CB 0.023 29.744 29.700 0.035 0.000 0.746 123 E HN 0.404 nan 8.360 nan 0.000 0.466 124 E N 0.231 120.405 120.200 -0.043 0.000 2.347 124 E HA -0.105 4.238 4.350 -0.012 0.000 0.196 124 E C 1.888 178.422 176.600 -0.110 0.000 1.008 124 E CA 0.521 56.894 56.400 -0.045 0.000 0.852 124 E CB 0.039 29.747 29.700 0.014 0.000 0.783 124 E HN 0.399 nan 8.360 nan 0.000 0.505 125 I N 0.940 121.386 120.570 -0.207 0.000 2.439 125 I HA -0.126 4.037 4.170 -0.012 0.000 0.251 125 I C 1.406 177.224 176.117 -0.498 0.000 1.139 125 I CA 0.329 61.442 61.300 -0.312 0.000 1.438 125 I CB 0.057 37.879 38.000 -0.296 0.000 1.085 125 I HN -0.023 nan 8.210 nan 0.000 0.427 126 E N 2.755 122.530 120.200 -0.708 0.000 2.415 126 E HA -0.045 4.298 4.350 -0.012 0.000 0.263 126 E C -0.192 176.308 176.600 -0.168 0.000 0.995 126 E CA -0.174 55.873 56.400 -0.588 0.000 0.915 126 E CB 0.571 30.029 29.700 -0.404 0.000 0.951 126 E HN 0.114 nan 8.360 nan 0.000 0.449 127 E N 3.495 123.686 120.200 -0.016 0.000 2.383 127 E HA 0.033 4.376 4.350 -0.012 0.000 0.264 127 E C -0.770 175.916 176.600 0.144 0.000 1.050 127 E CA -0.107 56.363 56.400 0.118 0.000 0.896 127 E CB 0.645 30.495 29.700 0.250 0.000 0.982 127 E HN 0.518 nan 8.360 nan 0.000 0.424 128 D N 0.744 121.213 120.400 0.116 0.000 2.455 128 D HA 0.131 4.764 4.640 -0.012 0.000 0.241 128 D C -0.326 176.042 176.300 0.113 0.000 1.138 128 D CA 0.289 54.348 54.000 0.099 0.000 0.877 128 D CB 0.524 41.383 40.800 0.098 0.000 1.187 128 D HN 0.373 nan 8.370 nan 0.000 0.451 129 A N 2.568 125.425 122.820 0.060 0.000 2.457 129 A HA 0.472 4.785 4.320 -0.012 0.000 0.298 129 A C 1.016 178.480 177.584 -0.201 0.000 1.288 129 A CA -0.374 51.539 52.037 -0.206 0.000 0.956 129 A CB -0.024 18.904 19.000 -0.120 0.000 1.135 129 A HN 0.611 nan 8.150 nan 0.000 0.535 130 G N 2.397 110.962 108.800 -0.392 0.000 4.178 130 G HA2 0.430 4.383 3.960 -0.012 0.000 0.287 130 G HA3 0.430 4.383 3.960 -0.012 0.000 0.287 130 G C 0.261 174.818 174.900 -0.573 0.000 1.293 130 G CA -0.304 44.560 45.100 -0.393 0.000 1.393 130 G HN 0.688 nan 8.290 nan 0.000 0.623 131 L N 1.308 122.281 121.223 -0.416 0.000 2.862 131 L HA 0.383 4.716 4.340 -0.012 0.000 0.240 131 L C 1.048 177.834 176.870 -0.141 0.000 1.283 131 L CA -0.168 54.563 54.840 -0.183 0.000 1.117 131 L CB -0.277 41.799 42.059 0.028 0.000 1.444 131 L HN 0.317 nan 8.230 nan 0.000 0.456 132 G N -1.375 107.133 108.800 -0.488 0.000 2.649 132 G HA2 0.193 4.146 3.960 -0.012 0.000 0.290 132 G HA3 0.193 4.146 3.960 -0.012 0.000 0.290 132 G C -0.143 174.440 174.900 -0.529 0.000 1.426 132 G CA -0.448 44.429 45.100 -0.372 0.000 0.794 132 G HN -0.097 nan 8.290 nan 0.000 0.483 133 N N -0.871 117.715 118.700 -0.190 0.000 2.439 133 N HA 0.213 4.945 4.740 -0.012 0.000 0.176 133 N C 1.152 176.707 175.510 0.074 0.000 1.029 133 N CA 1.317 54.312 53.050 -0.091 0.000 0.886 133 N CB 1.217 39.710 38.487 0.009 0.000 1.057 133 N HN 0.835 nan 8.380 nan 0.000 0.437 134 G N -0.657 108.253 108.800 0.182 0.000 2.649 134 G HA2 0.142 4.095 3.960 -0.012 0.000 0.078 134 G HA3 0.142 4.095 3.960 -0.012 0.000 0.078 134 G C 0.732 175.723 174.900 0.153 0.000 1.110 134 G CA 0.236 45.466 45.100 0.217 0.000 1.269 134 G HN 0.169 nan 8.290 nan 0.000 0.581 135 G N 0.248 109.095 108.800 0.079 0.000 2.446 135 G HA2 0.008 3.961 3.960 -0.012 0.000 0.217 135 G HA3 0.008 3.961 3.960 -0.012 0.000 0.217 135 G C 1.835 176.726 174.900 -0.015 0.000 1.168 135 G CA 1.876 46.989 45.100 0.022 0.000 0.771 135 G HN 0.734 nan 8.290 nan 0.000 0.551 136 L N 1.630 122.829 121.223 -0.040 0.000 2.017 136 L HA 0.161 4.494 4.340 -0.012 0.000 0.208 136 L C 2.795 179.613 176.870 -0.087 0.000 1.073 136 L CA 2.423 57.169 54.840 -0.156 0.000 0.745 136 L CB -1.136 40.789 42.059 -0.224 0.000 0.894 136 L HN 0.172 nan 8.230 nan 0.000 0.432 137 G N -1.070 107.734 108.800 0.007 0.000 2.408 137 G HA2 -0.272 3.681 3.960 -0.012 0.000 0.217 137 G HA3 -0.272 3.681 3.960 -0.012 0.000 0.217 137 G C 1.766 176.740 174.900 0.122 0.000 1.150 137 G CA 0.545 45.681 45.100 0.060 0.000 0.776 137 G HN 0.246 nan 8.290 nan 0.000 0.542 138 R N 0.180 120.756 120.500 0.128 0.000 2.090 138 R HA 0.105 4.438 4.340 -0.012 0.000 0.228 138 R C 2.446 178.746 176.300 -0.000 0.000 1.110 138 R CA 0.744 56.891 56.100 0.077 0.000 0.973 138 R CB -1.089 29.217 30.300 0.009 0.000 0.869 138 R HN 0.381 nan 8.270 nan 0.000 0.440 139 L N 0.652 121.811 121.223 -0.107 0.000 2.012 139 L HA -0.096 4.237 4.340 -0.012 0.000 0.210 139 L C 2.181 178.783 176.870 -0.447 0.000 1.073 139 L CA 2.300 56.937 54.840 -0.337 0.000 0.748 139 L CB -0.826 41.002 42.059 -0.385 0.000 0.891 139 L HN 0.207 nan 8.230 nan 0.000 0.431 140 A N -0.689 122.014 122.820 -0.195 0.000 1.940 140 A HA -0.156 4.157 4.320 -0.012 0.000 0.219 140 A C 2.430 180.108 177.584 0.157 0.000 1.176 140 A CA 1.908 53.927 52.037 -0.030 0.000 0.631 140 A CB -1.142 17.811 19.000 -0.077 0.000 0.814 140 A HN 0.583 nan 8.150 nan 0.000 0.446 141 A N -1.131 121.796 122.820 0.178 0.000 1.898 141 A HA -0.134 4.179 4.320 -0.012 0.000 0.216 141 A C 2.299 179.961 177.584 0.129 0.000 1.181 141 A CA 1.591 53.746 52.037 0.196 0.000 0.620 141 A CB -1.222 17.879 19.000 0.168 0.000 0.819 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.439 117.933 119.300 0.120 0.000 2.429 142 C HA -0.058 4.395 4.460 -0.012 0.000 0.277 142 C C 2.415 177.565 174.990 0.268 0.000 1.262 142 C CA 0.577 59.702 59.018 0.178 0.000 1.733 142 C CB -1.603 26.254 27.740 0.194 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 1.226 121.169 119.950 -0.011 0.000 2.134 143 F HA -0.074 4.446 4.527 -0.012 0.000 0.299 143 F C 2.246 177.986 175.800 -0.100 0.000 1.097 143 F CA 1.019 58.957 58.000 -0.102 0.000 1.264 143 F CB -1.384 37.430 39.000 -0.311 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.389 120.905 121.223 0.119 0.000 2.012 144 L HA -0.259 4.074 4.340 -0.012 0.000 0.210 144 L C 2.183 179.059 176.870 0.010 0.000 1.073 144 L CA 1.970 56.830 54.840 0.033 0.000 0.748 144 L CB -0.810 41.263 42.059 0.024 0.000 0.891 144 L HN 0.098 nan 8.230 nan 0.000 0.431 145 D N -0.423 119.995 120.400 0.029 0.000 2.104 145 D HA -0.189 4.444 4.640 -0.012 0.000 0.194 145 D C 2.206 178.523 176.300 0.028 0.000 0.994 145 D CA 1.658 55.665 54.000 0.011 0.000 0.830 145 D CB 0.174 40.981 40.800 0.011 0.000 0.959 145 D HN 0.090 nan 8.370 nan 0.000 0.452 146 S N -0.804 114.931 115.700 0.059 0.000 2.383 146 S HA -0.113 4.350 4.470 -0.012 0.000 0.227 146 S C 1.998 176.615 174.600 0.029 0.000 1.026 146 S CA 0.911 59.140 58.200 0.049 0.000 0.981 146 S CB -0.225 63.014 63.200 0.066 0.000 0.818 146 S HN 0.344 nan 8.310 nan 0.000 0.472 147 M N 0.934 120.543 119.600 0.015 0.000 2.159 147 M HA -0.096 4.377 4.480 -0.012 0.000 0.263 147 M C 2.437 178.740 176.300 0.005 0.000 1.063 147 M CA 1.415 56.719 55.300 0.007 0.000 1.110 147 M CB -0.503 32.079 32.600 -0.031 0.000 1.374 147 M HN 0.395 nan 8.290 nan 0.000 0.411 148 A N -0.263 122.555 122.820 -0.003 0.000 1.897 148 A HA -0.105 4.208 4.320 -0.012 0.000 0.215 148 A C 2.166 179.766 177.584 0.026 0.000 1.181 148 A CA 1.917 53.957 52.037 0.004 0.000 0.620 148 A CB -1.035 17.949 19.000 -0.027 0.000 0.821 148 A HN 0.408 nan 8.150 nan 0.000 0.443 149 T N 0.286 114.861 114.554 0.035 0.000 2.833 149 T HA -0.020 4.323 4.350 -0.012 0.000 0.269 149 T C 1.312 176.045 174.700 0.055 0.000 1.054 149 T CA 1.157 63.293 62.100 0.060 0.000 1.135 149 T CB -0.265 68.646 68.868 0.072 0.000 0.869 149 T HN 0.332 nan 8.240 nan 0.000 0.466 150 L N 0.402 121.653 121.223 0.048 0.000 2.653 150 L HA 0.310 4.643 4.340 -0.012 0.000 0.231 150 L C 1.569 178.474 176.870 0.057 0.000 1.153 150 L CA -0.117 54.753 54.840 0.050 0.000 0.933 150 L CB -0.288 41.800 42.059 0.049 0.000 1.175 150 L HN 0.394 nan 8.230 nan 0.000 0.473 151 G N 1.135 109.972 108.800 0.063 0.000 2.249 151 G HA2 -0.285 3.668 3.960 -0.012 0.000 0.273 151 G HA3 -0.285 3.668 3.960 -0.012 0.000 0.273 151 G C 0.074 175.029 174.900 0.092 0.000 1.036 151 G CA 0.048 45.204 45.100 0.093 0.000 0.824 151 G HN 0.283 nan 8.290 nan 0.000 0.504 152 L N -0.199 121.048 121.223 0.040 0.000 2.334 152 L HA 0.623 4.956 4.340 -0.012 0.000 0.277 152 L C 1.208 177.972 176.870 -0.176 0.000 1.075 152 L CA -0.405 54.411 54.840 -0.039 0.000 0.804 152 L CB 1.626 43.672 42.059 -0.022 0.000 1.174 152 L HN 0.256 nan 8.230 nan 0.000 0.438 153 A N 3.027 125.605 122.820 -0.403 0.000 2.981 153 A HA 0.554 4.867 4.320 -0.012 0.000 0.280 153 A C 0.308 177.550 177.584 -0.571 0.000 1.743 153 A CA -0.128 51.387 52.037 -0.871 0.000 1.430 153 A CB -0.705 17.659 19.000 -1.060 0.000 1.085 153 A HN 0.698 nan 8.150 nan 0.000 0.597 154 A N 1.504 124.030 122.820 -0.491 0.000 2.355 154 A HA 0.795 5.108 4.320 -0.012 0.000 0.324 154 A C -1.037 176.285 177.584 -0.438 0.000 1.117 154 A CA -0.473 51.344 52.037 -0.367 0.000 0.785 154 A CB 0.816 19.666 19.000 -0.250 0.000 1.254 154 A HN 0.616 nan 8.150 nan 0.000 0.453 155 Y N 0.382 120.614 120.300 -0.114 0.000 2.373 155 Y HA 0.532 5.075 4.550 -0.011 0.000 0.336 155 Y C 0.855 176.833 175.900 0.131 0.000 0.979 155 Y CA -0.566 57.541 58.100 0.012 0.000 1.080 155 Y CB 2.397 40.959 38.460 0.170 0.000 1.190 155 Y HN 0.837 nan 8.280 nan 0.000 0.446 156 G N 2.275 111.138 108.800 0.105 0.000 2.353 156 G HA2 0.427 4.380 3.960 -0.012 0.000 0.284 156 G HA3 0.427 4.380 3.960 -0.012 0.000 0.284 156 G C -1.704 173.192 174.900 -0.007 0.000 1.172 156 G CA -0.202 44.974 45.100 0.127 0.000 0.854 156 G HN 0.527 nan 8.290 nan 0.000 0.485 157 Y N 1.088 121.622 120.300 0.390 0.000 2.350 157 Y HA 0.623 5.166 4.550 -0.012 0.000 0.338 157 Y C 0.748 176.965 175.900 0.527 0.000 0.961 157 Y CA 0.170 58.474 58.100 0.340 0.000 1.100 157 Y CB 2.640 41.316 38.460 0.360 0.000 1.179 157 Y HN 0.872 nan 8.280 nan 0.000 0.454 158 G N 2.344 111.473 108.800 0.549 0.000 2.753 158 G HA2 0.608 4.561 3.960 -0.012 0.000 0.303 158 G HA3 0.608 4.561 3.960 -0.012 0.000 0.303 158 G C -1.771 173.363 174.900 0.390 0.000 1.242 158 G CA -0.843 44.593 45.100 0.560 0.000 0.810 158 G HN 0.423 nan 8.290 nan 0.000 0.515 159 I N 0.593 121.285 120.570 0.203 0.000 2.404 159 I HA 0.429 4.592 4.170 -0.012 0.000 0.293 159 I C 0.328 176.344 176.117 -0.167 0.000 0.992 159 I CA -0.705 60.607 61.300 0.021 0.000 1.149 159 I CB 2.182 40.015 38.000 -0.278 0.000 1.315 159 I HN 0.343 nan 8.210 nan 0.000 0.446 160 R N 6.216 126.725 120.500 0.016 0.000 2.419 160 R HA 0.223 4.556 4.340 -0.012 0.000 0.305 160 R C -1.238 175.109 176.300 0.078 0.000 1.242 160 R CA -0.414 55.725 56.100 0.066 0.000 1.105 160 R CB -0.018 30.302 30.300 0.033 0.000 1.116 160 R HN 0.402 nan 8.270 nan 0.000 0.523 161 Y N 1.547 121.997 120.300 0.250 0.000 2.511 161 Y HA -0.073 4.469 4.550 -0.012 0.000 0.332 161 Y C 1.588 177.662 175.900 0.290 0.000 1.177 161 Y CA 0.038 58.273 58.100 0.225 0.000 1.422 161 Y CB 0.811 39.374 38.460 0.170 0.000 1.271 161 Y HN 0.593 nan 8.280 nan 0.000 0.550 162 E N 1.984 122.366 120.200 0.303 0.000 2.107 162 E HA -0.053 4.290 4.350 -0.012 0.000 0.191 162 E C -0.742 175.741 176.600 -0.196 0.000 0.982 162 E CA 0.674 57.059 56.400 -0.023 0.000 0.809 162 E CB 0.178 29.765 29.700 -0.189 0.000 0.756 162 E HN 0.500 nan 8.360 nan 0.000 0.459 163 F N -0.220 119.942 119.950 0.352 0.000 2.477 163 F HA 0.442 4.962 4.527 -0.012 0.000 0.335 163 F C 0.786 176.655 175.800 0.115 0.000 1.130 163 F CA -0.859 57.300 58.000 0.265 0.000 0.948 163 F CB 1.846 40.935 39.000 0.148 0.000 1.154 163 F HN -0.103 nan 8.300 nan 0.000 0.439 164 G N 1.870 110.748 108.800 0.129 0.000 2.531 164 G HA2 0.337 4.290 3.960 -0.012 0.000 0.253 164 G HA3 0.337 4.290 3.960 -0.012 0.000 0.253 164 G C -0.516 174.321 174.900 -0.106 0.000 1.439 164 G CA -0.672 44.344 45.100 -0.141 0.000 1.056 164 G HN 0.550 nan 8.290 nan 0.000 0.555 165 I N 0.910 121.332 120.570 -0.247 0.000 2.752 165 I HA 0.204 4.367 4.170 -0.012 0.000 0.289 165 I C 0.547 176.561 176.117 -0.173 0.000 1.197 165 I CA -1.051 60.087 61.300 -0.272 0.000 1.432 165 I CB -0.261 37.472 38.000 -0.444 0.000 1.359 165 I HN 0.328 nan 8.210 nan 0.000 0.571 166 F N 6.269 126.220 119.950 0.002 0.000 2.595 166 F HA 0.240 4.760 4.527 -0.012 0.000 0.359 166 F C 0.510 176.353 175.800 0.072 0.000 1.147 166 F CA -0.583 57.443 58.000 0.043 0.000 1.341 166 F CB -0.337 38.679 39.000 0.027 0.000 1.104 166 F HN 0.421 nan 8.300 nan 0.000 0.603 167 N N 2.389 121.262 118.700 0.287 0.000 2.497 167 N HA 0.039 4.772 4.740 -0.012 0.000 0.271 167 N C -0.786 174.963 175.510 0.397 0.000 1.142 167 N CA -0.241 52.956 53.050 0.246 0.000 0.965 167 N CB 1.149 39.762 38.487 0.211 0.000 1.077 167 N HN 0.758 nan 8.380 nan 0.000 0.462 168 Q N 2.635 122.641 119.800 0.344 0.000 2.331 168 Q HA 0.153 4.486 4.340 -0.012 0.000 0.257 168 Q C -0.935 175.234 176.000 0.282 0.000 0.957 168 Q CA -0.433 55.608 55.803 0.396 0.000 0.923 168 Q CB 0.627 29.605 28.738 0.401 0.000 1.212 168 Q HN 0.219 nan 8.270 nan 0.000 0.443 169 K N 4.171 124.712 120.400 0.235 0.000 2.164 169 K HA 0.472 4.785 4.320 -0.012 0.000 0.258 169 K C -0.541 176.160 176.600 0.169 0.000 0.951 169 K CA -0.862 55.540 56.287 0.191 0.000 0.844 169 K CB 1.530 34.121 32.500 0.151 0.000 1.099 169 K HN 0.628 nan 8.250 nan 0.000 0.435 170 I N 2.428 123.090 120.570 0.155 0.000 2.330 170 I HA 0.211 4.374 4.170 -0.012 0.000 0.289 170 I C -0.334 175.841 176.117 0.098 0.000 1.001 170 I CA -0.650 60.713 61.300 0.106 0.000 1.193 170 I CB 0.829 38.877 38.000 0.079 0.000 1.345 170 I HN 0.416 nan 8.210 nan 0.000 0.461 171 C N 4.046 123.413 119.300 0.111 0.000 2.344 171 C HA 0.570 5.023 4.460 -0.012 0.000 0.326 171 C C 1.131 176.218 174.990 0.161 0.000 1.201 171 C CA -0.580 58.509 59.018 0.120 0.000 1.410 171 C CB 0.450 28.260 27.740 0.116 0.000 2.070 171 C HN 1.092 nan 8.230 nan 0.000 0.445 172 G N 2.439 111.301 108.800 0.104 0.000 2.283 172 G HA2 0.121 4.074 3.960 -0.012 0.000 0.280 172 G HA3 0.121 4.074 3.960 -0.012 0.000 0.280 172 G C 1.110 175.977 174.900 -0.055 0.000 1.029 172 G CA 1.003 46.158 45.100 0.093 0.000 0.840 172 G HN 2.381 nan 8.290 nan 0.000 0.505 173 G N -2.854 105.869 108.800 -0.129 0.000 2.179 173 G HA2 -0.298 3.655 3.960 -0.012 0.000 0.260 173 G HA3 -0.298 3.655 3.960 -0.012 0.000 0.260 173 G C 0.365 174.982 174.900 -0.471 0.000 0.977 173 G CA 0.595 45.489 45.100 -0.343 0.000 0.641 173 G HN 1.185 nan 8.290 nan 0.000 0.533 174 W N 1.106 122.357 121.300 -0.081 0.000 2.469 174 W HA 0.641 5.294 4.660 -0.012 0.000 0.320 174 W C 0.676 177.149 176.519 -0.077 0.000 1.086 174 W CA -0.905 56.388 57.345 -0.088 0.000 1.211 174 W CB 0.878 30.301 29.460 -0.061 0.000 1.298 174 W HN 0.259 nan 8.180 nan 0.000 0.525 175 Q N 3.659 123.558 119.800 0.164 0.000 2.289 175 Q HA 0.163 4.496 4.340 -0.012 0.000 0.273 175 Q C -0.483 175.576 176.000 0.098 0.000 1.029 175 Q CA 0.247 56.117 55.803 0.110 0.000 0.896 175 Q CB 0.518 29.312 28.738 0.092 0.000 1.182 175 Q HN 0.333 nan 8.270 nan 0.000 0.385 176 M N 3.162 122.815 119.600 0.088 0.000 2.456 176 M HA 0.392 4.865 4.480 -0.012 0.000 0.324 176 M C -0.974 175.336 176.300 0.017 0.000 1.124 176 M CA -0.693 54.627 55.300 0.034 0.000 0.959 176 M CB 1.761 34.394 32.600 0.054 0.000 1.692 176 M HN 0.598 nan 8.290 nan 0.000 0.444 177 E N 1.627 121.769 120.200 -0.097 0.000 2.204 177 E HA 0.492 4.835 4.350 -0.012 0.000 0.276 177 E C -0.754 175.844 176.600 -0.004 0.000 0.974 177 E CA -0.591 55.725 56.400 -0.140 0.000 0.815 177 E CB 1.642 31.015 29.700 -0.545 0.000 1.119 177 E HN 0.530 nan 8.360 nan 0.000 0.393 178 E N 0.635 120.906 120.200 0.119 0.000 2.340 178 E HA 0.713 5.056 4.350 -0.012 0.000 0.273 178 E C -1.132 175.556 176.600 0.146 0.000 0.891 178 E CA -1.509 54.950 56.400 0.097 0.000 0.757 178 E CB 1.424 31.185 29.700 0.101 0.000 1.231 178 E HN 0.461 nan 8.360 nan 0.000 0.439 179 A N 2.105 124.968 122.820 0.072 0.000 2.546 179 A HA 0.047 4.360 4.320 -0.012 0.000 0.243 179 A C -0.085 177.662 177.584 0.271 0.000 1.063 179 A CA 0.301 52.391 52.037 0.087 0.000 0.757 179 A CB -0.041 18.865 19.000 -0.155 0.000 0.991 179 A HN 0.684 nan 8.150 nan 0.000 0.503 180 D N 1.735 122.363 120.400 0.380 0.000 2.494 180 D HA 0.189 4.822 4.640 -0.012 0.000 0.217 180 D C -0.419 176.207 176.300 0.544 0.000 1.153 180 D CA -0.179 54.050 54.000 0.382 0.000 0.954 180 D CB 0.326 41.280 40.800 0.257 0.000 1.034 180 D HN 0.388 nan 8.370 nan 0.000 0.518 181 D N 3.779 124.461 120.400 0.470 0.000 2.801 181 D HA -0.032 4.601 4.640 -0.012 0.000 0.232 181 D C 1.159 177.588 176.300 0.214 0.000 1.128 181 D CA -0.492 53.704 54.000 0.327 0.000 1.003 181 D CB -0.192 40.791 40.800 0.305 0.000 1.110 181 D HN 0.554 nan 8.370 nan 0.000 0.477 182 W N 1.609 122.934 121.300 0.042 0.000 2.525 182 W HA -0.035 4.618 4.660 -0.012 0.000 0.259 182 W C 0.179 176.744 176.519 0.078 0.000 1.253 182 W CA 0.088 57.481 57.345 0.081 0.000 1.262 182 W CB -0.746 28.763 29.460 0.081 0.000 1.122 182 W HN 0.174 nan 8.180 nan 0.000 0.607 183 L N 0.857 121.729 121.223 -0.585 0.000 2.607 183 L HA 0.174 4.507 4.340 -0.012 0.000 0.228 183 L C 2.771 179.476 176.870 -0.276 0.000 1.123 183 L CA -0.009 54.456 54.840 -0.625 0.000 0.890 183 L CB -0.618 40.952 42.059 -0.815 0.000 1.103 183 L HN -0.112 nan 8.230 nan 0.000 0.468 184 R N 0.533 120.928 120.500 -0.174 0.000 2.113 184 R HA -0.240 4.093 4.340 -0.012 0.000 0.244 184 R C 1.461 177.585 176.300 -0.294 0.000 1.142 184 R CA 2.170 58.129 56.100 -0.235 0.000 0.953 184 R CB -0.211 29.929 30.300 -0.266 0.000 0.860 184 R HN 0.293 nan 8.270 nan 0.000 0.438 185 Y N -0.497 119.814 120.300 0.018 0.000 2.466 185 Y HA 0.305 4.848 4.550 -0.012 0.000 0.272 185 Y C 0.834 176.716 175.900 -0.030 0.000 1.169 185 Y CA 0.489 58.607 58.100 0.029 0.000 1.285 185 Y CB 0.805 39.395 38.460 0.218 0.000 1.078 185 Y HN 0.437 nan 8.280 nan 0.000 0.523 186 G N 1.314 110.152 108.800 0.063 0.000 2.690 186 G HA2 -0.230 3.723 3.960 -0.012 0.000 0.686 186 G HA3 -0.230 3.723 3.960 -0.012 0.000 0.686 186 G C -1.196 173.775 174.900 0.118 0.000 1.277 186 G CA -0.783 44.322 45.100 0.008 0.000 0.799 186 G HN 0.268 nan 8.290 nan 0.000 0.613 187 N N 1.359 120.070 118.700 0.018 0.000 2.569 187 N HA 0.579 5.312 4.740 -0.012 0.000 0.254 187 N C -0.578 174.929 175.510 -0.005 0.000 1.004 187 N CA -2.025 51.054 53.050 0.049 0.000 0.904 187 N CB 1.973 40.426 38.487 -0.058 0.000 1.165 187 N HN 0.226 nan 8.380 nan 0.000 0.513 188 P HA -0.012 nan 4.420 nan 0.000 0.226 188 P C 0.644 177.652 177.300 -0.488 0.000 1.153 188 P CA 0.868 63.657 63.100 -0.519 0.000 0.777 188 P CB 0.103 31.162 31.700 -1.069 0.000 0.794 189 W N 1.852 123.157 121.300 0.008 0.000 2.576 189 W HA 0.037 4.690 4.660 -0.011 0.000 0.270 189 W C 1.303 177.860 176.519 0.062 0.000 1.255 189 W CA -0.320 57.027 57.345 0.004 0.000 1.314 189 W CB -0.307 29.156 29.460 0.004 0.000 1.101 189 W HN 0.013 nan 8.180 nan 0.000 0.595 190 E N 1.726 122.099 120.200 0.288 0.000 2.319 190 E HA 0.321 4.664 4.350 -0.012 0.000 0.268 190 E C -0.643 176.129 176.600 0.287 0.000 1.050 190 E CA -0.749 55.833 56.400 0.304 0.000 0.878 190 E CB 1.336 31.224 29.700 0.314 0.000 1.066 190 E HN -0.310 nan 8.360 nan 0.000 0.406 191 K N 1.705 122.293 120.400 0.313 0.000 2.483 191 K HA 0.419 4.732 4.320 -0.012 0.000 0.256 191 K C -1.142 175.492 176.600 0.056 0.000 0.961 191 K CA -0.482 55.920 56.287 0.191 0.000 0.873 191 K CB 1.556 34.169 32.500 0.188 0.000 1.107 191 K HN 0.667 nan 8.250 nan 0.000 0.432 192 A N 4.171 126.935 122.820 -0.094 0.000 2.511 192 A HA 0.298 4.611 4.320 -0.012 0.000 0.242 192 A C -0.236 177.157 177.584 -0.319 0.000 1.069 192 A CA -0.043 51.678 52.037 -0.527 0.000 0.763 192 A CB 0.200 18.889 19.000 -0.520 0.000 1.001 192 A HN 0.683 nan 8.150 nan 0.000 0.498 193 R N 3.137 123.433 120.500 -0.339 0.000 2.835 193 R HA 0.200 4.533 4.340 -0.012 0.000 0.290 193 R C -2.325 173.846 176.300 -0.216 0.000 1.410 193 R CA -1.708 54.270 56.100 -0.204 0.000 1.590 193 R CB 0.559 30.878 30.300 0.032 0.000 1.288 193 R HN 0.567 nan 8.270 nan 0.000 0.637 194 P HA -0.195 nan 4.420 nan 0.000 0.221 194 P C 0.963 178.171 177.300 -0.153 0.000 1.145 194 P CA 1.139 64.153 63.100 -0.145 0.000 0.795 194 P CB 0.370 31.993 31.700 -0.128 0.000 0.775 195 E N -0.115 119.891 120.200 -0.322 0.000 2.204 195 E HA -0.148 4.195 4.350 -0.012 0.000 0.194 195 E C 0.638 177.025 176.600 -0.355 0.000 0.989 195 E CA 0.974 57.121 56.400 -0.422 0.000 0.824 195 E CB -0.885 28.417 29.700 -0.663 0.000 0.756 195 E HN 0.271 nan 8.360 nan 0.000 0.477 196 F N 2.092 122.058 119.950 0.025 0.000 2.730 196 F HA 0.283 4.803 4.527 -0.012 0.000 0.295 196 F C 0.394 176.290 175.800 0.159 0.000 1.143 196 F CA -0.569 57.477 58.000 0.078 0.000 1.367 196 F CB -0.108 38.934 39.000 0.071 0.000 0.970 196 F HN -0.305 nan 8.300 nan 0.000 0.514 197 T N 2.848 117.539 114.554 0.227 0.000 2.916 197 T HA 0.302 4.645 4.350 -0.012 0.000 0.303 197 T C -0.187 174.614 174.700 0.168 0.000 1.025 197 T CA 0.288 62.520 62.100 0.220 0.000 1.142 197 T CB 0.718 69.664 68.868 0.130 0.000 0.947 197 T HN -0.145 nan 8.240 nan 0.000 0.544 198 L N 5.725 127.015 121.223 0.113 0.000 2.370 198 L HA 0.568 4.901 4.340 -0.012 0.000 0.266 198 L C -2.231 174.593 176.870 -0.076 0.000 1.002 198 L CA -2.671 52.162 54.840 -0.013 0.000 0.818 198 L CB 1.904 43.881 42.059 -0.137 0.000 1.325 198 L HN 0.383 nan 8.230 nan 0.000 0.418 199 P HA 0.356 nan 4.420 nan 0.000 0.284 199 P C -1.145 176.024 177.300 -0.218 0.000 1.253 199 P CA -0.358 62.660 63.100 -0.136 0.000 0.800 199 P CB 1.633 33.252 31.700 -0.136 0.000 0.961 200 V N 3.988 123.764 119.914 -0.230 0.000 2.540 200 V HA 0.322 4.435 4.120 -0.012 0.000 0.302 200 V C 0.190 176.093 176.094 -0.318 0.000 1.035 200 V CA -0.618 61.538 62.300 -0.239 0.000 0.873 200 V CB 1.385 33.121 31.823 -0.145 0.000 0.992 200 V HN 0.596 nan 8.190 nan 0.000 0.428 201 H N 3.901 122.854 119.070 -0.194 0.000 2.463 201 H HA 0.607 5.156 4.556 -0.012 0.000 0.332 201 H C -1.269 173.837 175.328 -0.371 0.000 1.127 201 H CA -0.121 55.741 56.048 -0.311 0.000 1.238 201 H CB 1.820 31.156 29.762 -0.710 0.000 1.478 201 H HN 0.478 nan 8.280 nan 0.000 0.499 202 F N 0.539 120.565 119.950 0.127 0.000 2.613 202 F HA 0.211 4.731 4.527 -0.012 0.000 0.314 202 F C -0.224 175.711 175.800 0.226 0.000 1.075 202 F CA -0.519 57.562 58.000 0.135 0.000 0.945 202 F CB 1.112 40.105 39.000 -0.012 0.000 1.310 202 F HN 0.561 nan 8.300 nan 0.000 0.467 203 Y N 0.213 120.821 120.300 0.513 0.000 2.904 203 Y HA -0.017 4.526 4.550 -0.012 0.000 0.466 203 Y C 1.350 177.509 175.900 0.431 0.000 1.202 203 Y CA 0.649 58.968 58.100 0.366 0.000 2.492 203 Y CB -1.908 36.694 38.460 0.237 0.000 1.237 203 Y HN 1.271 nan 8.280 nan 0.000 0.633 204 G N 0.659 109.737 108.800 0.464 0.000 2.593 204 G HA2 0.094 4.047 3.960 -0.012 0.000 0.237 204 G HA3 0.094 4.047 3.960 -0.012 0.000 0.237 204 G C -0.580 174.539 174.900 0.365 0.000 1.312 204 G CA 0.899 46.190 45.100 0.318 0.000 0.896 204 G HN 1.368 nan 8.290 nan 0.000 0.574 205 R N -2.543 118.166 120.500 0.349 0.000 2.752 205 R HA 0.705 5.038 4.340 -0.012 0.000 0.271 205 R C -1.346 175.105 176.300 0.253 0.000 1.026 205 R CA -0.995 55.258 56.100 0.255 0.000 0.901 205 R CB 1.338 31.730 30.300 0.153 0.000 1.243 205 R HN 0.873 nan 8.270 nan 0.000 0.463 206 V N 1.056 121.034 119.914 0.106 0.000 2.394 206 V HA 0.342 4.455 4.120 -0.012 0.000 0.282 206 V C -0.125 175.921 176.094 -0.080 0.000 1.031 206 V CA -0.495 61.796 62.300 -0.016 0.000 0.881 206 V CB 1.284 33.030 31.823 -0.129 0.000 0.982 206 V HN 0.676 nan 8.190 nan 0.000 0.451 207 E N 3.119 123.246 120.200 -0.123 0.000 2.183 207 E HA 0.444 4.787 4.350 -0.012 0.000 0.271 207 E C -1.035 175.415 176.600 -0.251 0.000 0.919 207 E CA -0.732 55.605 56.400 -0.106 0.000 0.781 207 E CB 1.259 30.947 29.700 -0.019 0.000 1.140 207 E HN 0.683 nan 8.360 nan 0.000 0.402 208 H N 1.577 120.663 119.070 0.027 0.000 2.459 208 H HA 0.276 4.825 4.556 -0.012 0.000 0.332 208 H C 0.135 175.473 175.328 0.016 0.000 1.094 208 H CA -0.317 55.741 56.048 0.017 0.000 1.224 208 H CB 1.655 31.422 29.762 0.010 0.000 1.449 208 H HN 0.589 nan 8.280 nan 0.000 0.484 209 T N -1.216 113.406 114.554 0.114 0.000 2.807 209 T HA 0.211 4.554 4.350 -0.012 0.000 0.277 209 T C 1.335 176.073 174.700 0.063 0.000 1.006 209 T CA -0.592 61.550 62.100 0.070 0.000 1.006 209 T CB 0.934 69.826 68.868 0.040 0.000 1.274 209 T HN 0.396 nan 8.240 nan 0.000 0.569 210 S N 0.017 115.742 115.700 0.042 0.000 2.359 210 S HA -0.108 4.355 4.470 -0.012 0.000 0.224 210 S C 1.093 175.714 174.600 0.035 0.000 1.035 210 S CA 1.143 59.363 58.200 0.033 0.000 1.018 210 S CB -0.517 62.697 63.200 0.025 0.000 0.876 210 S HN 0.723 nan 8.310 nan 0.000 0.448 211 Q N 0.913 120.733 119.800 0.034 0.000 2.834 211 Q HA 0.529 4.862 4.340 -0.012 0.000 0.271 211 Q C 0.230 176.253 176.000 0.038 0.000 1.196 211 Q CA 0.292 56.115 55.803 0.033 0.000 1.063 211 Q CB 0.180 28.934 28.738 0.026 0.000 1.265 211 Q HN 0.529 nan 8.270 nan 0.000 0.526 212 G N 0.756 109.589 108.800 0.055 0.000 2.795 212 G HA2 0.009 3.962 3.960 -0.012 0.000 0.664 212 G HA3 0.009 3.962 3.960 -0.012 0.000 0.664 212 G C -0.550 174.386 174.900 0.059 0.000 1.381 212 G CA -0.647 44.493 45.100 0.066 0.000 0.853 212 G HN 0.767 nan 8.290 nan 0.000 0.545 213 A N 0.253 123.096 122.820 0.038 0.000 2.322 213 A HA 0.734 5.047 4.320 -0.012 0.000 0.269 213 A C 0.487 178.027 177.584 -0.073 0.000 1.094 213 A CA 0.302 52.283 52.037 -0.092 0.000 0.807 213 A CB 0.696 19.604 19.000 -0.153 0.000 1.047 213 A HN 0.765 nan 8.150 nan 0.000 0.487 214 K N 0.666 121.008 120.400 -0.097 0.000 2.482 214 K HA 0.190 4.503 4.320 -0.012 0.000 0.251 214 K C -1.906 174.726 176.600 0.054 0.000 0.936 214 K CA -0.348 55.930 56.287 -0.015 0.000 0.791 214 K CB 2.110 34.603 32.500 -0.012 0.000 1.213 214 K HN 0.745 nan 8.250 nan 0.000 0.428 215 W N 5.456 126.676 121.300 -0.133 0.000 2.308 215 W HA 0.345 4.998 4.660 -0.012 0.000 0.311 215 W C -0.616 175.845 176.519 -0.096 0.000 1.088 215 W CA -0.739 56.536 57.345 -0.117 0.000 1.309 215 W CB 0.129 29.510 29.460 -0.132 0.000 1.229 215 W HN 0.296 nan 8.180 nan 0.000 0.427 216 V N 2.704 122.661 119.914 0.072 0.000 3.155 216 V HA 0.605 4.718 4.120 -0.012 0.000 0.313 216 V C -0.128 175.938 176.094 -0.048 0.000 1.162 216 V CA -0.963 61.307 62.300 -0.050 0.000 1.048 216 V CB 1.947 33.772 31.823 0.004 0.000 1.092 216 V HN 0.459 nan 8.190 nan 0.000 0.447 217 D N 0.209 120.585 120.400 -0.040 0.000 2.772 217 D HA -0.140 4.493 4.640 -0.012 0.000 0.233 217 D C 0.551 176.854 176.300 0.004 0.000 1.143 217 D CA 1.537 55.536 54.000 -0.000 0.000 0.700 217 D CB -1.616 39.207 40.800 0.038 0.000 1.076 217 D HN 1.300 nan 8.370 nan 0.000 0.430 218 T N -2.681 111.827 114.554 -0.077 0.000 2.904 218 T HA 0.462 4.805 4.350 -0.012 0.000 0.290 218 T C 0.456 175.210 174.700 0.089 0.000 1.018 218 T CA -0.717 61.351 62.100 -0.054 0.000 1.075 218 T CB 1.917 70.586 68.868 -0.332 0.000 0.986 218 T HN 0.033 nan 8.240 nan 0.000 0.523 219 Q N 0.939 120.863 119.800 0.207 0.000 2.256 219 Q HA 0.526 4.859 4.340 -0.012 0.000 0.254 219 Q C -0.808 175.322 176.000 0.217 0.000 0.916 219 Q CA -0.808 55.139 55.803 0.240 0.000 0.932 219 Q CB 1.678 30.630 28.738 0.357 0.000 1.207 219 Q HN 0.524 nan 8.270 nan 0.000 0.426 220 V N 3.401 123.397 119.914 0.136 0.000 2.427 220 V HA 0.365 4.478 4.120 -0.012 0.000 0.286 220 V C -0.228 175.955 176.094 0.147 0.000 1.034 220 V CA -0.590 61.715 62.300 0.008 0.000 0.893 220 V CB 1.610 33.380 31.823 -0.087 0.000 0.982 220 V HN 0.488 nan 8.190 nan 0.000 0.452 221 V N 5.993 126.008 119.914 0.168 0.000 2.604 221 V HA 0.475 4.588 4.120 -0.012 0.000 0.305 221 V C -0.146 176.049 176.094 0.168 0.000 1.043 221 V CA -0.662 61.755 62.300 0.195 0.000 0.888 221 V CB 1.914 33.920 31.823 0.305 0.000 0.995 221 V HN 0.631 nan 8.190 nan 0.000 0.429 222 L N 3.621 124.933 121.223 0.148 0.000 2.350 222 L HA 0.704 5.037 4.340 -0.012 0.000 0.275 222 L C 0.497 177.540 176.870 0.288 0.000 1.099 222 L CA -0.297 54.631 54.840 0.148 0.000 0.808 222 L CB 1.277 43.403 42.059 0.111 0.000 1.149 222 L HN 0.761 nan 8.230 nan 0.000 0.442 223 A N 5.315 128.248 122.820 0.190 0.000 2.256 223 A HA 0.570 4.883 4.320 -0.012 0.000 0.317 223 A C -0.433 177.412 177.584 0.436 0.000 1.318 223 A CA -0.472 51.705 52.037 0.233 0.000 0.894 223 A CB 0.823 19.501 19.000 -0.538 0.000 1.165 223 A HN 0.793 nan 8.150 nan 0.000 0.525 224 M N 6.001 125.922 119.600 0.536 0.000 2.129 224 M HA 0.462 4.935 4.480 -0.012 0.000 0.348 224 M C -2.602 173.968 176.300 0.450 0.000 1.116 224 M CA -2.115 53.442 55.300 0.427 0.000 1.022 224 M CB 1.934 34.703 32.600 0.283 0.000 1.599 224 M HN 0.331 nan 8.290 nan 0.000 0.449 225 P HA 0.266 nan 4.420 nan 0.000 0.288 225 P C -1.934 175.304 177.300 -0.104 0.000 1.267 225 P CA -0.023 62.999 63.100 -0.130 0.000 0.815 225 P CB 0.514 31.960 31.700 -0.424 0.000 0.989 226 Y N 0.546 120.792 120.300 -0.090 0.000 2.350 226 Y HA 0.342 4.884 4.550 -0.012 0.000 0.338 226 Y C 0.200 176.094 175.900 -0.009 0.000 0.961 226 Y CA -0.308 57.793 58.100 0.001 0.000 1.100 226 Y CB 1.308 39.798 38.460 0.051 0.000 1.179 226 Y HN 0.215 nan 8.280 nan 0.000 0.454 227 D N 1.919 122.435 120.400 0.193 0.000 2.193 227 D HA 0.406 5.039 4.640 -0.012 0.000 0.244 227 D C -0.596 175.938 176.300 0.389 0.000 1.064 227 D CA -0.254 53.901 54.000 0.259 0.000 0.845 227 D CB 1.757 42.739 40.800 0.305 0.000 1.148 227 D HN 0.373 nan 8.370 nan 0.000 0.464 228 T N 3.089 117.774 114.554 0.219 0.000 2.807 228 T HA 0.490 4.832 4.350 -0.012 0.000 0.279 228 T C -2.524 172.013 174.700 -0.271 0.000 0.993 228 T CA -1.492 60.632 62.100 0.041 0.000 0.970 228 T CB 2.047 70.933 68.868 0.030 0.000 0.950 228 T HN 0.169 nan 8.240 nan 0.000 0.441 229 P HA 0.349 nan 4.420 nan 0.000 0.279 229 P C -1.053 175.913 177.300 -0.556 0.000 1.239 229 P CA -0.442 61.983 63.100 -1.126 0.000 0.789 229 P CB 0.838 31.663 31.700 -1.458 0.000 0.933 230 V N 4.769 124.418 119.914 -0.442 0.000 2.305 230 V HA 0.269 4.382 4.120 -0.012 0.000 0.275 230 V C -2.138 173.822 176.094 -0.224 0.000 1.020 230 V CA -1.946 60.188 62.300 -0.277 0.000 0.811 230 V CB 1.320 33.026 31.823 -0.195 0.000 1.031 230 V HN 0.534 nan 8.190 nan 0.000 0.439 231 P HA 0.266 nan 4.420 nan 0.000 0.281 231 P C 0.428 177.676 177.300 -0.086 0.000 1.252 231 P CA 0.315 63.326 63.100 -0.148 0.000 0.778 231 P CB 1.517 33.127 31.700 -0.151 0.000 0.895 232 G N 2.465 111.233 108.800 -0.054 0.000 2.606 232 G HA2 0.084 4.037 3.960 -0.012 0.000 0.252 232 G HA3 0.084 4.037 3.960 -0.012 0.000 0.252 232 G C -1.071 173.839 174.900 0.017 0.000 1.206 232 G CA -0.540 44.557 45.100 -0.004 0.000 0.861 232 G HN 0.520 nan 8.290 nan 0.000 0.561 233 Y N 0.666 120.929 120.300 -0.061 0.000 2.674 233 Y HA 0.240 4.783 4.550 -0.012 0.000 0.354 233 Y C 1.281 177.146 175.900 -0.059 0.000 1.089 233 Y CA -0.140 57.920 58.100 -0.067 0.000 1.444 233 Y CB 0.074 38.494 38.460 -0.068 0.000 1.187 233 Y HN 0.726 nan 8.280 nan 0.000 0.523 234 R N 2.696 122.898 120.500 -0.496 0.000 3.741 234 R HA -0.319 4.014 4.340 -0.012 0.000 0.292 234 R C 0.099 176.260 176.300 -0.231 0.000 1.176 234 R CA 1.493 57.315 56.100 -0.464 0.000 0.794 234 R CB -1.927 27.909 30.300 -0.772 0.000 1.213 234 R HN 0.946 nan 8.270 nan 0.000 0.494 235 N N -1.295 117.322 118.700 -0.137 0.000 2.177 235 N HA 0.055 4.788 4.740 -0.012 0.000 0.218 235 N C -0.185 175.281 175.510 -0.073 0.000 1.182 235 N CA -0.259 52.743 53.050 -0.079 0.000 0.882 235 N CB 0.490 38.957 38.487 -0.033 0.000 1.052 235 N HN 0.091 nan 8.380 nan 0.000 0.519 236 N N -0.196 118.455 118.700 -0.080 0.000 2.778 236 N HA -0.138 4.595 4.740 -0.012 0.000 0.249 236 N C -0.889 174.584 175.510 -0.062 0.000 1.069 236 N CA 0.605 53.616 53.050 -0.066 0.000 0.831 236 N CB -1.339 37.109 38.487 -0.064 0.000 1.142 236 N HN 0.195 nan 8.380 nan 0.000 0.573 237 V N 1.196 121.078 119.914 -0.054 0.000 2.498 237 V HA 0.391 4.504 4.120 -0.012 0.000 0.279 237 V C 0.618 176.686 176.094 -0.043 0.000 1.048 237 V CA -0.414 61.862 62.300 -0.039 0.000 0.967 237 V CB 2.035 33.862 31.823 0.007 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.473 238 V N 5.536 125.429 119.914 -0.035 0.000 2.419 238 V HA 0.436 4.549 4.120 -0.012 0.000 0.287 238 V C -0.094 175.993 176.094 -0.012 0.000 1.017 238 V CA -0.864 61.390 62.300 -0.077 0.000 0.844 238 V CB 1.481 33.240 31.823 -0.106 0.000 1.011 238 V HN 0.843 nan 8.190 nan 0.000 0.429 239 N N 1.967 120.630 118.700 -0.062 0.000 2.476 239 N HA 0.570 5.303 4.740 -0.012 0.000 0.287 239 N C -0.066 175.418 175.510 -0.042 0.000 1.262 239 N CA -0.313 52.717 53.050 -0.033 0.000 0.980 239 N CB 1.157 39.584 38.487 -0.101 0.000 1.163 239 N HN 0.580 nan 8.380 nan 0.000 0.592 240 T N 0.747 115.282 114.554 -0.032 0.000 2.824 240 T HA 0.387 4.730 4.350 -0.012 0.000 0.282 240 T C -0.258 174.402 174.700 -0.066 0.000 0.993 240 T CA -0.504 61.651 62.100 0.091 0.000 0.967 240 T CB 1.059 70.106 68.868 0.298 0.000 0.960 240 T HN 0.302 nan 8.240 nan 0.000 0.441 241 M N 3.923 123.450 119.600 -0.121 0.000 2.066 241 M HA 0.478 4.951 4.480 -0.012 0.000 0.340 241 M C -0.368 175.790 176.300 -0.235 0.000 1.053 241 M CA -0.734 54.408 55.300 -0.264 0.000 0.983 241 M CB 0.558 32.941 32.600 -0.362 0.000 1.520 241 M HN 0.480 nan 8.290 nan 0.000 0.428 242 R N 5.919 126.175 120.500 -0.406 0.000 2.229 242 R HA 0.609 4.942 4.340 -0.012 0.000 0.332 242 R C -1.902 174.123 176.300 -0.459 0.000 0.989 242 R CA -0.403 55.414 56.100 -0.472 0.000 0.842 242 R CB 0.787 30.643 30.300 -0.739 0.000 1.119 242 R HN 0.813 nan 8.270 nan 0.000 0.456 243 L N 5.181 126.237 121.223 -0.279 0.000 2.341 243 L HA 0.490 4.823 4.340 -0.012 0.000 0.278 243 L C -0.809 176.013 176.870 -0.080 0.000 1.005 243 L CA -0.933 53.834 54.840 -0.122 0.000 0.818 243 L CB 1.493 43.576 42.059 0.039 0.000 1.259 243 L HN 0.597 nan 8.230 nan 0.000 0.418 244 W N 1.859 123.292 121.300 0.222 0.000 2.315 244 W HA 0.454 5.107 4.660 -0.012 0.000 0.316 244 W C 0.573 177.330 176.519 0.397 0.000 1.211 244 W CA -0.181 57.317 57.345 0.254 0.000 1.201 244 W CB 1.382 30.844 29.460 0.003 0.000 1.184 244 W HN 0.341 nan 8.180 nan 0.000 0.544 245 S N 1.942 118.059 115.700 0.696 0.000 2.473 245 S HA 0.742 5.205 4.470 -0.012 0.000 0.307 245 S C -0.375 174.572 174.600 0.578 0.000 1.094 245 S CA -0.730 57.782 58.200 0.520 0.000 1.070 245 S CB 0.558 64.013 63.200 0.425 0.000 1.019 245 S HN 0.525 nan 8.310 nan 0.000 0.480 246 A N 5.021 128.022 122.820 0.301 0.000 2.409 246 A HA 0.595 4.908 4.320 -0.012 0.000 0.262 246 A C -0.050 177.598 177.584 0.106 0.000 1.113 246 A CA -0.151 51.950 52.037 0.105 0.000 0.790 246 A CB 0.289 19.062 19.000 -0.378 0.000 1.046 246 A HN 0.659 nan 8.150 nan 0.000 0.496 247 K N 1.294 121.771 120.400 0.129 0.000 2.443 247 K HA 0.576 4.889 4.320 -0.012 0.000 0.252 247 K C -0.492 176.105 176.600 -0.006 0.000 0.933 247 K CA -0.404 55.919 56.287 0.061 0.000 0.792 247 K CB 2.204 34.770 32.500 0.110 0.000 1.185 247 K HN 0.837 nan 8.250 nan 0.000 0.425 248 A N 4.594 127.348 122.820 -0.110 0.000 2.388 248 A HA 0.421 4.734 4.320 -0.012 0.000 0.257 248 A C -2.085 175.484 177.584 -0.025 0.000 1.095 248 A CA -0.986 50.930 52.037 -0.200 0.000 0.791 248 A CB -0.308 18.384 19.000 -0.515 0.000 1.029 248 A HN 0.347 nan 8.150 nan 0.000 0.489 249 P HA 0.091 nan 4.420 nan 0.000 0.272 249 P C 0.054 177.433 177.300 0.132 0.000 1.230 249 P CA -0.366 62.797 63.100 0.104 0.000 0.788 249 P CB 0.563 32.340 31.700 0.128 0.000 0.949 250 N N 0.976 119.736 118.700 0.100 0.000 2.381 250 N HA -0.123 4.610 4.740 -0.012 0.000 0.182 250 N C 0.711 176.292 175.510 0.119 0.000 1.025 250 N CA 1.104 54.213 53.050 0.099 0.000 0.888 250 N CB -0.481 38.050 38.487 0.073 0.000 0.965 250 N HN 0.551 nan 8.380 nan 0.000 0.438 251 D N -0.918 119.554 120.400 0.120 0.000 2.342 251 D HA -0.055 4.578 4.640 -0.012 0.000 0.221 251 D C 0.060 176.428 176.300 0.114 0.000 1.101 251 D CA -0.609 53.452 54.000 0.102 0.000 0.837 251 D CB -1.052 39.789 40.800 0.068 0.000 0.938 251 D HN 0.065 nan 8.370 nan 0.000 0.508 252 F N 2.339 122.301 119.950 0.020 0.000 2.590 252 F HA 0.028 4.548 4.527 -0.012 0.000 0.389 252 F C 1.006 176.808 175.800 0.003 0.000 1.049 252 F CA 0.549 58.557 58.000 0.013 0.000 1.199 252 F CB -0.246 38.761 39.000 0.011 0.000 1.058 252 F HN 0.074 nan 8.300 nan 0.000 0.556 253 N N 2.522 120.836 118.700 -0.643 0.000 2.732 253 N HA -0.287 4.446 4.740 -0.012 0.000 0.250 253 N C -0.586 174.826 175.510 -0.163 0.000 1.097 253 N CA 0.625 53.404 53.050 -0.451 0.000 0.812 253 N CB -0.903 37.293 38.487 -0.486 0.000 1.148 253 N HN 0.436 nan 8.380 nan 0.000 0.572 262 Y N 0.454 120.759 120.300 0.008 0.000 2.097 262 Y HA -0.104 4.439 4.550 -0.012 0.000 0.282 262 Y C 2.599 178.513 175.900 0.023 0.000 1.152 262 Y CA 2.251 60.360 58.100 0.014 0.000 1.136 262 Y CB -0.021 38.447 38.460 0.013 0.000 0.975 262 Y HN 0.291 nan 8.280 nan 0.000 0.498 263 I N 0.487 121.033 120.570 -0.041 0.000 2.163 263 I HA -0.318 3.845 4.170 -0.012 0.000 0.243 263 I C 2.349 178.387 176.117 -0.132 0.000 1.085 263 I CA 1.535 62.757 61.300 -0.129 0.000 1.347 263 I CB -1.357 36.659 38.000 0.026 0.000 1.044 263 I HN 0.392 nan 8.210 nan 0.000 0.408 264 Q N 0.477 120.242 119.800 -0.059 0.000 2.084 264 Q HA -0.123 4.210 4.340 -0.012 0.000 0.202 264 Q C 2.398 178.373 176.000 -0.042 0.000 0.978 264 Q CA 1.840 57.621 55.803 -0.036 0.000 0.844 264 Q CB -0.418 28.313 28.738 -0.012 0.000 0.898 264 Q HN 0.554 nan 8.270 nan 0.000 0.426 265 A N 0.085 122.861 122.820 -0.072 0.000 1.908 265 A HA -0.139 4.174 4.320 -0.012 0.000 0.218 265 A C 2.412 179.987 177.584 -0.016 0.000 1.181 265 A CA 1.671 53.678 52.037 -0.050 0.000 0.627 265 A CB -0.631 18.327 19.000 -0.070 0.000 0.818 265 A HN 0.224 nan 8.150 nan 0.000 0.445 266 V N 0.120 119.937 119.914 -0.161 0.000 2.358 266 V HA -0.225 3.888 4.120 -0.012 0.000 0.246 266 V C 2.501 178.569 176.094 -0.043 0.000 1.047 266 V CA 1.826 64.045 62.300 -0.134 0.000 1.035 266 V CB -0.767 30.878 31.823 -0.297 0.000 0.658 266 V HN 0.567 nan 8.190 nan 0.000 0.452 267 L N -0.198 120.997 121.223 -0.046 0.000 2.201 267 L HA -0.128 4.205 4.340 -0.012 0.000 0.212 267 L C 1.904 178.790 176.870 0.027 0.000 1.105 267 L CA 1.145 55.978 54.840 -0.012 0.000 0.775 267 L CB -0.615 41.435 42.059 -0.014 0.000 0.913 267 L HN 0.325 nan 8.230 nan 0.000 0.440 268 D N -0.070 120.378 120.400 0.079 0.000 2.363 268 D HA -0.049 4.584 4.640 -0.012 0.000 0.226 268 D C 2.087 178.529 176.300 0.236 0.000 1.020 268 D CA 0.354 54.452 54.000 0.163 0.000 0.892 268 D CB 0.046 40.958 40.800 0.187 0.000 0.900 268 D HN 0.217 nan 8.370 nan 0.000 0.531 269 R N 0.518 121.069 120.500 0.086 0.000 2.159 269 R HA -0.075 4.258 4.340 -0.012 0.000 0.237 269 R C 1.593 177.731 176.300 -0.270 0.000 1.131 269 R CA 0.686 56.621 56.100 -0.275 0.000 0.982 269 R CB -0.096 30.101 30.300 -0.172 0.000 0.868 269 R HN 0.156 nan 8.270 nan 0.000 0.453 270 N N 0.753 119.393 118.700 -0.100 0.000 2.192 270 N HA -0.173 4.560 4.740 -0.012 0.000 0.188 270 N C 1.548 177.015 175.510 -0.071 0.000 1.013 270 N CA 1.120 54.130 53.050 -0.067 0.000 0.863 270 N CB -0.204 38.273 38.487 -0.017 0.000 0.990 270 N HN 0.092 nan 8.380 nan 0.000 0.430 271 L N 1.017 122.213 121.223 -0.045 0.000 2.042 271 L HA -0.103 4.229 4.340 -0.012 0.000 0.210 271 L C 2.373 179.198 176.870 -0.076 0.000 1.076 271 L CA 1.433 56.269 54.840 -0.008 0.000 0.749 271 L CB -1.213 40.910 42.059 0.106 0.000 0.893 271 L HN 0.142 nan 8.230 nan 0.000 0.432 272 A N -1.041 121.651 122.820 -0.214 0.000 1.929 272 A HA -0.128 4.184 4.320 -0.012 0.000 0.216 272 A C 2.149 179.607 177.584 -0.210 0.000 1.176 272 A CA 1.152 53.041 52.037 -0.246 0.000 0.628 272 A CB -0.364 18.358 19.000 -0.463 0.000 0.816 272 A HN 0.502 nan 8.150 nan 0.000 0.444 273 E N 0.084 120.169 120.200 -0.192 0.000 2.435 273 E HA -0.067 4.276 4.350 -0.012 0.000 0.195 273 E C 1.038 177.589 176.600 -0.083 0.000 1.029 273 E CA 0.168 56.491 56.400 -0.128 0.000 0.865 273 E CB -0.128 29.515 29.700 -0.094 0.000 0.833 273 E HN 0.441 nan 8.360 nan 0.000 0.510 274 N N 1.179 119.837 118.700 -0.069 0.000 2.348 274 N HA -0.128 4.605 4.740 -0.012 0.000 0.185 274 N C 1.625 177.122 175.510 -0.022 0.000 1.019 274 N CA 0.720 53.758 53.050 -0.020 0.000 0.880 274 N CB -0.085 38.395 38.487 -0.011 0.000 0.965 274 N HN 0.268 nan 8.380 nan 0.000 0.437 275 I N 0.368 120.867 120.570 -0.119 0.000 2.194 275 I HA -0.253 3.910 4.170 -0.012 0.000 0.246 275 I C 1.479 177.549 176.117 -0.078 0.000 1.093 275 I CA 1.294 62.493 61.300 -0.168 0.000 1.355 275 I CB -0.218 37.517 38.000 -0.441 0.000 1.046 275 I HN 0.138 nan 8.210 nan 0.000 0.413 276 S N -0.450 115.199 115.700 -0.087 0.000 2.583 276 S HA 0.176 4.638 4.470 -0.012 0.000 0.239 276 S C 1.472 176.196 174.600 0.206 0.000 0.966 276 S CA -0.511 57.729 58.200 0.066 0.000 0.973 276 S CB 0.230 63.458 63.200 0.046 0.000 0.794 276 S HN 0.215 nan 8.310 nan 0.000 0.463 277 R N 1.234 121.858 120.500 0.206 0.000 2.062 277 R HA 0.292 4.625 4.340 -0.012 0.000 0.226 277 R C 0.356 176.894 176.300 0.397 0.000 1.125 277 R CA 1.108 57.369 56.100 0.269 0.000 0.966 277 R CB -0.232 30.189 30.300 0.201 0.000 0.861 277 R HN 0.389 nan 8.270 nan 0.000 0.433 278 V N 0.564 120.666 119.914 0.313 0.000 2.851 278 V HA 0.362 4.475 4.120 -0.012 0.000 0.307 278 V C -1.599 174.437 176.094 -0.096 0.000 1.129 278 V CA -1.367 61.035 62.300 0.169 0.000 0.932 278 V CB 1.773 33.623 31.823 0.045 0.000 1.024 278 V HN 0.168 nan 8.190 nan 0.000 0.426 279 L N 7.143 128.087 121.223 -0.465 0.000 2.360 279 L HA 0.465 4.798 4.340 -0.012 0.000 0.276 279 L C -0.769 175.924 176.870 -0.295 0.000 1.121 279 L CA 0.439 54.793 54.840 -0.810 0.000 0.845 279 L CB 0.399 41.907 42.059 -0.919 0.000 1.143 279 L HN 0.682 nan 8.230 nan 0.000 0.452 280 Y N 7.124 127.323 120.300 -0.169 0.000 2.650 280 Y HA 0.161 4.704 4.550 -0.012 0.000 0.331 280 Y C -1.399 174.489 175.900 -0.020 0.000 1.165 280 Y CA -0.959 57.121 58.100 -0.034 0.000 1.473 280 Y CB 0.310 38.780 38.460 0.017 0.000 1.224 280 Y HN 0.572 nan 8.280 nan 0.000 0.533 281 P HA 0.113 nan 4.420 nan 0.000 0.254 281 P C -0.377 177.065 177.300 0.236 0.000 1.620 281 P CA 0.175 63.385 63.100 0.184 0.000 1.050 281 P CB 0.346 32.255 31.700 0.349 0.000 1.539 282 N N 0.623 119.460 118.700 0.229 0.000 2.268 282 N HA -0.008 4.725 4.740 -0.012 0.000 0.204 282 N C 0.371 176.034 175.510 0.255 0.000 1.124 282 N CA 0.039 53.235 53.050 0.244 0.000 0.838 282 N CB -0.414 38.238 38.487 0.275 0.000 0.994 282 N HN 0.011 nan 8.380 nan 0.000 0.489 283 D N 1.532 122.054 120.400 0.202 0.000 2.911 283 D HA -0.214 4.419 4.640 -0.012 0.000 0.227 283 D C -0.524 175.898 176.300 0.203 0.000 1.164 283 D CA 0.579 54.691 54.000 0.186 0.000 0.782 283 D CB -1.362 39.566 40.800 0.214 0.000 1.094 283 D HN 0.285 nan 8.370 nan 0.000 0.425 284 N N -1.929 116.887 118.700 0.194 0.000 2.782 284 N HA -0.290 4.443 4.740 -0.012 0.000 0.251 284 N C 0.120 175.775 175.510 0.243 0.000 1.101 284 N CA 1.006 54.166 53.050 0.183 0.000 0.764 284 N CB -2.000 36.607 38.487 0.199 0.000 1.122 284 N HN 0.538 nan 8.380 nan 0.000 0.561 285 F N 1.480 121.504 119.950 0.123 0.000 2.608 285 F HA 0.145 4.665 4.527 -0.012 0.000 0.380 285 F C 0.619 176.478 175.800 0.098 0.000 1.083 285 F CA -0.204 57.861 58.000 0.109 0.000 1.266 285 F CB 0.211 39.257 39.000 0.078 0.000 1.076 285 F HN 0.096 nan 8.300 nan 0.000 0.574 286 F N 7.145 126.743 119.950 -0.587 0.000 2.502 286 F HA 0.202 4.722 4.527 -0.012 0.000 0.371 286 F C -0.101 175.455 175.800 -0.407 0.000 1.083 286 F CA -0.212 57.514 58.000 -0.458 0.000 1.174 286 F CB 0.183 38.899 39.000 -0.472 0.000 1.096 286 F HN 0.576 nan 8.300 nan 0.000 0.545 287 E N 4.284 123.998 120.200 -0.810 0.000 2.185 287 E HA 0.285 4.628 4.350 -0.012 0.000 0.261 287 E C -0.025 175.914 176.600 -1.102 0.000 0.879 287 E CA -0.738 55.246 56.400 -0.693 0.000 0.756 287 E CB 1.412 31.015 29.700 -0.163 0.000 1.152 287 E HN 0.879 nan 8.360 nan 0.000 0.416 288 G N 5.158 113.243 108.800 -1.192 0.000 3.284 288 G HA2 0.009 3.961 3.960 -0.012 0.000 0.251 288 G HA3 0.009 3.961 3.960 -0.012 0.000 0.251 288 G C 0.041 174.903 174.900 -0.063 0.000 0.913 288 G CA -0.122 44.465 45.100 -0.854 0.000 1.947 288 G HN 0.198 nan 8.290 nan 0.000 0.635 289 K N 0.489 120.902 120.400 0.022 0.000 2.172 289 K HA 0.152 4.465 4.320 -0.012 0.000 0.276 289 K C 0.946 177.701 176.600 0.258 0.000 1.013 289 K CA -0.524 55.853 56.287 0.150 0.000 0.913 289 K CB 2.246 34.816 32.500 0.117 0.000 1.055 289 K HN 0.443 nan 8.250 nan 0.000 0.461 290 E N 2.005 122.315 120.200 0.184 0.000 2.085 290 E HA -0.228 4.115 4.350 -0.012 0.000 0.194 290 E C 1.550 178.188 176.600 0.063 0.000 0.994 290 E CA 1.091 57.548 56.400 0.096 0.000 0.801 290 E CB 0.134 29.891 29.700 0.095 0.000 0.743 290 E HN 0.423 nan 8.360 nan 0.000 0.453 291 L N 1.277 122.580 121.223 0.133 0.000 2.079 291 L HA -0.177 4.156 4.340 -0.012 0.000 0.210 291 L C 2.435 179.419 176.870 0.191 0.000 1.081 291 L CA 1.844 56.780 54.840 0.161 0.000 0.752 291 L CB -0.526 41.686 42.059 0.254 0.000 0.896 291 L HN 0.027 nan 8.230 nan 0.000 0.433 292 R N -0.619 119.965 120.500 0.140 0.000 2.075 292 R HA -0.151 4.182 4.340 -0.012 0.000 0.232 292 R C 2.106 178.471 176.300 0.109 0.000 1.126 292 R CA 1.830 57.952 56.100 0.037 0.000 0.963 292 R CB -1.015 29.121 30.300 -0.273 0.000 0.858 292 R HN 0.413 nan 8.270 nan 0.000 0.435 293 L N 0.930 122.116 121.223 -0.062 0.000 2.046 293 L HA -0.079 4.254 4.340 -0.012 0.000 0.208 293 L C 1.693 178.517 176.870 -0.077 0.000 1.077 293 L CA 1.916 56.512 54.840 -0.406 0.000 0.747 293 L CB -0.450 41.047 42.059 -0.937 0.000 0.896 293 L HN 0.153 nan 8.230 nan 0.000 0.432 294 K N -0.912 119.494 120.400 0.011 0.000 2.063 294 K HA -0.219 4.094 4.320 -0.012 0.000 0.208 294 K C 2.101 178.877 176.600 0.293 0.000 1.048 294 K CA 1.928 58.301 56.287 0.143 0.000 0.928 294 K CB -0.224 32.189 32.500 -0.146 0.000 0.713 294 K HN 0.523 nan 8.250 nan 0.000 0.442 295 Q N 0.602 120.538 119.800 0.226 0.000 2.084 295 Q HA -0.188 4.145 4.340 -0.012 0.000 0.202 295 Q C 1.991 178.195 176.000 0.341 0.000 0.978 295 Q CA 1.444 57.431 55.803 0.307 0.000 0.844 295 Q CB -0.023 28.916 28.738 0.337 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.426 296 E N -0.192 120.165 120.200 0.261 0.000 2.077 296 E HA -0.212 4.131 4.350 -0.012 0.000 0.193 296 E C 1.739 178.460 176.600 0.202 0.000 0.989 296 E CA 1.039 57.575 56.400 0.227 0.000 0.800 296 E CB -0.136 29.678 29.700 0.190 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.356 120.704 120.300 0.080 0.000 2.263 297 Y HA -0.208 4.335 4.550 -0.012 0.000 0.292 297 Y C 1.964 177.892 175.900 0.047 0.000 1.130 297 Y CA 1.074 59.170 58.100 -0.007 0.000 1.179 297 Y CB -0.354 38.047 38.460 -0.099 0.000 0.998 297 Y HN 0.022 nan 8.280 nan 0.000 0.532 298 F N -0.360 119.582 119.950 -0.013 0.000 2.095 298 F HA -0.237 4.283 4.527 -0.012 0.000 0.298 298 F C 2.477 178.137 175.800 -0.234 0.000 1.104 298 F CA 1.997 59.945 58.000 -0.086 0.000 1.232 298 F CB -1.030 38.074 39.000 0.173 0.000 0.987 298 F HN -0.055 nan 8.300 nan 0.000 0.475 299 V N -0.476 119.408 119.914 -0.051 0.000 2.358 299 V HA -0.193 3.920 4.120 -0.012 0.000 0.246 299 V C 2.179 178.139 176.094 -0.222 0.000 1.047 299 V CA 1.966 64.213 62.300 -0.088 0.000 1.035 299 V CB -0.401 31.565 31.823 0.239 0.000 0.658 299 V HN 0.256 nan 8.190 nan 0.000 0.452 300 V N 0.497 120.284 119.914 -0.212 0.000 2.307 300 V HA -0.178 3.935 4.120 -0.012 0.000 0.245 300 V C 2.829 178.671 176.094 -0.420 0.000 1.045 300 V CA 2.203 64.360 62.300 -0.239 0.000 1.024 300 V CB -1.075 30.669 31.823 -0.132 0.000 0.651 300 V HN 0.653 nan 8.190 nan 0.000 0.449 301 A N -0.257 122.138 122.820 -0.709 0.000 1.873 301 A HA -0.068 4.245 4.320 -0.012 0.000 0.215 301 A C 2.394 179.613 177.584 -0.608 0.000 1.186 301 A CA 2.012 53.623 52.037 -0.710 0.000 0.616 301 A CB -0.789 17.559 19.000 -1.087 0.000 0.823 301 A HN 0.557 nan 8.150 nan 0.000 0.442 302 A N -0.996 121.306 122.820 -0.862 0.000 1.898 302 A HA -0.060 4.253 4.320 -0.012 0.000 0.216 302 A C 2.310 179.418 177.584 -0.794 0.000 1.181 302 A CA 2.262 53.613 52.037 -1.143 0.000 0.620 302 A CB -1.291 16.372 19.000 -2.227 0.000 0.819 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.463 114.684 114.554 -0.554 0.000 2.684 303 T HA -0.118 4.225 4.350 -0.012 0.000 0.267 303 T C 1.833 176.268 174.700 -0.441 0.000 1.036 303 T CA 1.515 63.395 62.100 -0.367 0.000 1.148 303 T CB -0.393 68.259 68.868 -0.360 0.000 0.863 303 T HN 0.335 nan 8.240 nan 0.000 0.436 304 L N 0.623 121.634 121.223 -0.353 0.000 2.083 304 L HA -0.152 4.181 4.340 -0.012 0.000 0.209 304 L C 2.939 179.694 176.870 -0.193 0.000 1.083 304 L CA 1.360 56.043 54.840 -0.262 0.000 0.752 304 L CB -0.475 41.472 42.059 -0.188 0.000 0.899 304 L HN 0.356 nan 8.230 nan 0.000 0.433 305 Q N -0.564 119.121 119.800 -0.193 0.000 2.096 305 Q HA -0.266 4.067 4.340 -0.012 0.000 0.204 305 Q C 1.781 177.742 176.000 -0.064 0.000 0.982 305 Q CA 1.854 57.590 55.803 -0.111 0.000 0.850 305 Q CB -0.121 28.539 28.738 -0.131 0.000 0.901 305 Q HN 0.403 nan 8.270 nan 0.000 0.422 306 D N 0.395 120.749 120.400 -0.078 0.000 2.117 306 D HA -0.107 4.526 4.640 -0.012 0.000 0.197 306 D C 1.631 177.865 176.300 -0.109 0.000 0.987 306 D CA 0.873 54.871 54.000 -0.004 0.000 0.829 306 D CB -0.011 40.896 40.800 0.178 0.000 0.961 306 D HN 0.172 nan 8.370 nan 0.000 0.460 307 I N -0.066 120.337 120.570 -0.280 0.000 2.252 307 I HA -0.215 3.948 4.170 -0.012 0.000 0.245 307 I C 2.214 178.332 176.117 0.002 0.000 1.102 307 I CA 0.684 61.760 61.300 -0.374 0.000 1.385 307 I CB -0.071 37.557 38.000 -0.619 0.000 1.064 307 I HN 0.034 nan 8.210 nan 0.000 0.414 308 I N 0.221 120.849 120.570 0.097 0.000 2.252 308 I HA -0.271 3.892 4.170 -0.012 0.000 0.245 308 I C 2.734 179.006 176.117 0.259 0.000 1.102 308 I CA 1.076 62.550 61.300 0.290 0.000 1.385 308 I CB -0.359 37.767 38.000 0.209 0.000 1.064 308 I HN 0.147 nan 8.210 nan 0.000 0.414 309 R N 1.175 121.752 120.500 0.129 0.000 2.094 309 R HA -0.250 4.083 4.340 -0.012 0.000 0.239 309 R C 2.504 178.857 176.300 0.087 0.000 1.137 309 R CA 1.960 58.115 56.100 0.091 0.000 0.943 309 R CB -0.305 30.024 30.300 0.047 0.000 0.850 309 R HN 0.174 nan 8.270 nan 0.000 0.433 310 R N -0.759 119.788 120.500 0.078 0.000 2.120 310 R HA -0.164 4.168 4.340 -0.012 0.000 0.234 310 R C 2.142 178.523 176.300 0.136 0.000 1.123 310 R CA 1.663 57.812 56.100 0.081 0.000 0.975 310 R CB -0.338 29.998 30.300 0.059 0.000 0.866 310 R HN 0.327 nan 8.270 nan 0.000 0.446 311 F N 1.302 121.277 119.950 0.042 0.000 2.146 311 F HA -0.076 4.444 4.527 -0.012 0.000 0.298 311 F C 1.651 177.456 175.800 0.010 0.000 1.096 311 F CA 1.472 59.494 58.000 0.036 0.000 1.275 311 F CB 0.046 39.115 39.000 0.116 0.000 1.008 311 F HN -0.149 nan 8.300 nan 0.000 0.480 312 K N -0.346 120.022 120.400 -0.055 0.000 2.217 312 K HA -0.013 4.300 4.320 -0.012 0.000 0.202 312 K C 1.390 177.897 176.600 -0.155 0.000 1.051 312 K CA 1.148 57.325 56.287 -0.183 0.000 0.952 312 K CB -0.199 32.305 32.500 0.007 0.000 0.736 312 K HN 0.100 nan 8.250 nan 0.000 0.453 313 S N 1.215 116.878 115.700 -0.062 0.000 2.677 313 S HA 0.123 4.586 4.470 -0.012 0.000 0.246 313 S C 0.036 174.648 174.600 0.020 0.000 1.005 313 S CA -0.310 57.892 58.200 0.003 0.000 1.062 313 S CB 0.215 63.448 63.200 0.055 0.000 0.778 313 S HN 0.117 nan 8.310 nan 0.000 0.461 325 N N 0.845 119.533 118.700 -0.019 0.000 2.645 325 N HA 0.301 5.034 4.740 -0.012 0.000 0.233 325 N C -0.679 174.879 175.510 0.081 0.000 1.058 325 N CA -0.093 52.995 53.050 0.064 0.000 0.942 325 N CB 0.183 38.697 38.487 0.046 0.000 1.210 325 N HN 0.192 nan 8.380 nan 0.000 0.512 326 F N 1.139 121.188 119.950 0.165 0.000 2.797 326 F HA 0.091 4.611 4.527 -0.012 0.000 0.302 326 F C 1.753 177.618 175.800 0.108 0.000 1.130 326 F CA -0.173 57.904 58.000 0.128 0.000 1.387 326 F CB 0.320 39.277 39.000 -0.071 0.000 1.107 326 F HN 0.415 nan 8.300 nan 0.000 0.577 327 D N 0.553 121.090 120.400 0.228 0.000 2.149 327 D HA -0.175 4.458 4.640 -0.012 0.000 0.198 327 D C 2.237 178.628 176.300 0.150 0.000 0.990 327 D CA 1.396 55.488 54.000 0.153 0.000 0.839 327 D CB -0.116 40.749 40.800 0.109 0.000 0.948 327 D HN 0.303 nan 8.370 nan 0.000 0.460 328 A N -0.344 122.591 122.820 0.191 0.000 2.251 328 A HA 0.038 4.351 4.320 -0.012 0.000 0.209 328 A C 1.757 179.461 177.584 0.199 0.000 1.187 328 A CA -0.218 51.931 52.037 0.186 0.000 0.823 328 A CB -0.679 18.436 19.000 0.192 0.000 0.846 328 A HN 0.137 nan 8.150 nan 0.000 0.486 329 F N 1.877 121.800 119.950 -0.045 0.000 2.065 329 F HA -0.153 4.367 4.527 -0.012 0.000 0.298 329 F C -0.752 174.946 175.800 -0.170 0.000 1.112 329 F CA 2.603 60.372 58.000 -0.385 0.000 1.212 329 F CB -0.591 38.184 39.000 -0.375 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.094 nan 4.420 nan 0.000 0.226 330 P C 0.700 177.959 177.300 -0.068 0.000 1.153 330 P CA 1.416 64.489 63.100 -0.045 0.000 0.777 330 P CB -0.075 31.624 31.700 -0.002 0.000 0.794 331 D N -0.765 119.616 120.400 -0.032 0.000 2.277 331 D HA -0.034 4.599 4.640 -0.012 0.000 0.208 331 D C 1.518 177.802 176.300 -0.027 0.000 0.962 331 D CA 0.932 54.924 54.000 -0.013 0.000 0.865 331 D CB 0.108 40.921 40.800 0.021 0.000 0.939 331 D HN 0.148 nan 8.370 nan 0.000 0.510 332 K N 0.018 120.382 120.400 -0.061 0.000 2.380 332 K HA 0.209 4.522 4.320 -0.012 0.000 0.198 332 K C -0.094 176.422 176.600 -0.142 0.000 1.070 332 K CA 0.074 56.335 56.287 -0.043 0.000 1.040 332 K CB 2.344 34.919 32.500 0.125 0.000 0.903 332 K HN -0.062 nan 8.250 nan 0.000 0.549 333 V N 1.057 120.800 119.914 -0.284 0.000 2.686 333 V HA 0.596 4.709 4.120 -0.012 0.000 0.306 333 V C -1.064 174.938 176.094 -0.153 0.000 1.065 333 V CA -1.267 60.862 62.300 -0.285 0.000 0.894 333 V CB 1.808 33.185 31.823 -0.745 0.000 1.004 333 V HN 0.110 nan 8.190 nan 0.000 0.424 334 A N 5.757 128.535 122.820 -0.069 0.000 2.343 334 A HA 0.921 5.234 4.320 -0.012 0.000 0.316 334 A C -0.928 176.678 177.584 0.038 0.000 1.104 334 A CA -0.477 51.555 52.037 -0.008 0.000 0.768 334 A CB 0.924 19.879 19.000 -0.075 0.000 1.213 334 A HN 0.774 nan 8.150 nan 0.000 0.456 335 I N 1.890 122.528 120.570 0.115 0.000 2.355 335 I HA 0.289 4.452 4.170 -0.012 0.000 0.288 335 I C -0.282 175.928 176.117 0.154 0.000 0.999 335 I CA -0.534 60.846 61.300 0.133 0.000 1.163 335 I CB 1.899 39.961 38.000 0.104 0.000 1.316 335 I HN 0.682 nan 8.210 nan 0.000 0.454 336 Q N 6.921 126.812 119.800 0.151 0.000 2.340 336 Q HA 0.477 4.810 4.340 -0.012 0.000 0.259 336 Q C -1.268 174.746 176.000 0.024 0.000 0.964 336 Q CA -0.248 55.672 55.803 0.196 0.000 0.900 336 Q CB 1.187 30.147 28.738 0.371 0.000 1.228 336 Q HN 0.570 nan 8.270 nan 0.000 0.449 337 L N 3.831 125.103 121.223 0.081 0.000 2.261 337 L HA 0.368 4.701 4.340 -0.012 0.000 0.289 337 L C 0.089 176.998 176.870 0.066 0.000 1.059 337 L CA -0.680 54.200 54.840 0.067 0.000 0.816 337 L CB 0.473 42.612 42.059 0.133 0.000 1.191 337 L HN 0.559 nan 8.230 nan 0.000 0.431 338 N N 4.432 123.094 118.700 -0.062 0.000 2.448 338 N HA 0.063 4.796 4.740 -0.012 0.000 0.250 338 N C -0.143 175.415 175.510 0.079 0.000 1.136 338 N CA 0.496 53.561 53.050 0.024 0.000 0.953 338 N CB -0.015 38.390 38.487 -0.136 0.000 1.251 338 N HN 0.609 nan 8.380 nan 0.000 0.502 339 D N -0.056 120.479 120.400 0.224 0.000 4.199 339 D HA -0.223 4.410 4.640 -0.012 0.000 0.291 339 D C 0.333 176.713 176.300 0.134 0.000 2.213 339 D CA 1.513 55.605 54.000 0.153 0.000 1.174 339 D CB -0.509 40.092 40.800 -0.333 0.000 1.012 339 D HN 0.515 nan 8.370 nan 0.000 1.213 340 T N -2.502 112.047 114.554 -0.007 0.000 3.129 340 T HA 0.086 4.429 4.350 -0.012 0.000 0.251 340 T C 1.632 176.383 174.700 0.085 0.000 1.117 340 T CA 1.509 63.604 62.100 -0.009 0.000 1.034 340 T CB -0.485 68.354 68.868 -0.048 0.000 0.968 340 T HN 0.507 nan 8.240 nan 0.000 0.526 341 H N 2.703 121.868 119.070 0.159 0.000 2.353 341 H HA -0.010 4.539 4.556 -0.012 0.000 0.298 341 H C -0.870 174.553 175.328 0.157 0.000 1.103 341 H CA 1.114 57.269 56.048 0.179 0.000 1.293 341 H CB -1.006 28.860 29.762 0.174 0.000 1.372 341 H HN 0.438 nan 8.280 nan 0.000 0.501 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.707 178.056 177.300 0.080 0.000 1.620 342 P CA 0.350 63.534 63.100 0.140 0.000 1.050 342 P CB 0.313 32.084 31.700 0.119 0.000 1.539 343 S N -0.185 115.555 115.700 0.066 0.000 2.419 343 S HA -0.137 4.326 4.470 -0.012 0.000 0.235 343 S C 1.752 176.358 174.600 0.011 0.000 1.019 343 S CA 0.821 59.021 58.200 -0.001 0.000 0.982 343 S CB -1.508 61.667 63.200 -0.041 0.000 0.789 343 S HN 0.155 nan 8.310 nan 0.000 0.490 344 L N 1.077 122.321 121.223 0.036 0.000 2.450 344 L HA 0.001 4.334 4.340 -0.012 0.000 0.224 344 L C 2.939 179.848 176.870 0.065 0.000 1.149 344 L CA 0.621 55.484 54.840 0.040 0.000 0.816 344 L CB -0.797 41.284 42.059 0.037 0.000 0.932 344 L HN 0.472 nan 8.230 nan 0.000 0.449 345 A N 0.624 123.464 122.820 0.033 0.000 1.978 345 A HA -0.211 4.102 4.320 -0.012 0.000 0.220 345 A C 2.178 179.765 177.584 0.004 0.000 1.170 345 A CA 1.588 53.630 52.037 0.008 0.000 0.636 345 A CB -0.482 18.515 19.000 -0.005 0.000 0.810 345 A HN 0.381 nan 8.150 nan 0.000 0.448 346 I N 0.250 120.824 120.570 0.007 0.000 2.113 346 I HA -0.144 4.019 4.170 -0.012 0.000 0.238 346 I C -0.327 175.812 176.117 0.035 0.000 1.070 346 I CA 1.585 62.888 61.300 0.004 0.000 1.332 346 I CB -1.010 36.996 38.000 0.011 0.000 1.044 346 I HN 0.249 nan 8.210 nan 0.000 0.402 347 P HA -0.162 nan 4.420 nan 0.000 0.221 347 P C 1.269 178.592 177.300 0.039 0.000 1.150 347 P CA 1.458 64.592 63.100 0.057 0.000 0.800 347 P CB 0.045 31.797 31.700 0.086 0.000 0.787 348 E N 0.267 120.554 120.200 0.146 0.000 2.072 348 E HA -0.147 4.196 4.350 -0.012 0.000 0.191 348 E C 1.921 178.509 176.600 -0.020 0.000 0.985 348 E CA 0.655 57.152 56.400 0.162 0.000 0.801 348 E CB -1.188 28.663 29.700 0.252 0.000 0.750 348 E HN -0.002 nan 8.360 nan 0.000 0.452 349 L N -0.021 121.161 121.223 -0.068 0.000 2.046 349 L HA -0.104 4.229 4.340 -0.012 0.000 0.208 349 L C 2.080 178.812 176.870 -0.230 0.000 1.077 349 L CA 1.749 56.490 54.840 -0.164 0.000 0.747 349 L CB -0.571 41.393 42.059 -0.158 0.000 0.896 349 L HN 0.234 nan 8.230 nan 0.000 0.432 350 M N -0.770 118.709 119.600 -0.201 0.000 2.080 350 M HA -0.228 4.245 4.480 -0.012 0.000 0.260 350 M C 2.435 178.573 176.300 -0.270 0.000 1.068 350 M CA 1.609 56.737 55.300 -0.287 0.000 1.109 350 M CB -1.259 31.153 32.600 -0.314 0.000 1.342 350 M HN 0.333 nan 8.290 nan 0.000 0.405 351 R N 0.074 120.441 120.500 -0.222 0.000 2.083 351 R HA -0.143 4.190 4.340 -0.012 0.000 0.237 351 R C 2.092 178.288 176.300 -0.173 0.000 1.137 351 R CA 1.774 57.745 56.100 -0.215 0.000 0.951 351 R CB -0.240 29.878 30.300 -0.304 0.000 0.851 351 R HN 0.209 nan 8.270 nan 0.000 0.434 352 V N 1.492 121.302 119.914 -0.173 0.000 2.261 352 V HA -0.271 3.842 4.120 -0.012 0.000 0.246 352 V C 2.411 178.345 176.094 -0.268 0.000 1.047 352 V CA 1.894 64.084 62.300 -0.183 0.000 1.015 352 V CB -0.424 31.289 31.823 -0.184 0.000 0.642 352 V HN 0.350 nan 8.190 nan 0.000 0.446 353 L N -0.719 120.281 121.223 -0.371 0.000 2.093 353 L HA -0.121 4.212 4.340 -0.012 0.000 0.208 353 L C 2.358 179.048 176.870 -0.300 0.000 1.085 353 L CA 1.011 55.568 54.840 -0.472 0.000 0.755 353 L CB -0.640 41.088 42.059 -0.551 0.000 0.904 353 L HN 0.200 nan 8.230 nan 0.000 0.435 354 V N -0.586 119.194 119.914 -0.223 0.000 2.331 354 V HA -0.160 3.953 4.120 -0.012 0.000 0.242 354 V C 1.930 177.983 176.094 -0.069 0.000 1.034 354 V CA 1.636 63.867 62.300 -0.116 0.000 1.027 354 V CB -0.307 31.478 31.823 -0.063 0.000 0.667 354 V HN 0.333 nan 8.190 nan 0.000 0.457 355 D N -0.081 120.273 120.400 -0.076 0.000 2.194 355 D HA 0.007 4.640 4.640 -0.012 0.000 0.204 355 D C 1.970 178.243 176.300 -0.045 0.000 0.964 355 D CA 1.134 55.106 54.000 -0.046 0.000 0.846 355 D CB 0.137 40.907 40.800 -0.049 0.000 0.962 355 D HN 0.339 nan 8.370 nan 0.000 0.490 356 L N 0.024 121.204 121.223 -0.071 0.000 2.445 356 L HA 0.147 4.480 4.340 -0.012 0.000 0.207 356 L C 1.804 178.643 176.870 -0.050 0.000 1.053 356 L CA 0.387 55.196 54.840 -0.052 0.000 0.841 356 L CB 0.152 42.182 42.059 -0.050 0.000 1.074 356 L HN -0.214 nan 8.230 nan 0.000 0.479 357 E N 0.506 120.642 120.200 -0.107 0.000 2.447 357 E HA 0.054 4.397 4.350 -0.012 0.000 0.195 357 E C 0.123 176.686 176.600 -0.061 0.000 1.028 357 E CA -0.037 56.307 56.400 -0.093 0.000 0.876 357 E CB 0.371 29.904 29.700 -0.279 0.000 0.885 357 E HN 0.207 nan 8.360 nan 0.000 0.500 358 R N -0.175 120.284 120.500 -0.067 0.000 3.651 358 R HA -0.191 4.142 4.340 -0.012 0.000 0.292 358 R C -0.261 176.024 176.300 -0.025 0.000 1.161 358 R CA 0.257 56.341 56.100 -0.028 0.000 0.787 358 R CB -2.838 27.464 30.300 0.003 0.000 1.249 358 R HN 0.083 nan 8.270 nan 0.000 0.476 359 L N 2.355 123.533 121.223 -0.074 0.000 2.452 359 L HA 0.098 4.431 4.340 -0.012 0.000 0.267 359 L C 1.516 178.376 176.870 -0.016 0.000 1.188 359 L CA 0.449 55.255 54.840 -0.056 0.000 0.821 359 L CB 0.343 42.319 42.059 -0.138 0.000 1.102 359 L HN 0.141 nan 8.230 nan 0.000 0.470 360 D N 1.040 121.456 120.400 0.027 0.000 2.357 360 D HA -0.126 4.507 4.640 -0.012 0.000 0.242 360 D C 0.900 177.268 176.300 0.112 0.000 1.153 360 D CA -0.554 53.497 54.000 0.085 0.000 0.918 360 D CB 0.717 41.572 40.800 0.093 0.000 1.181 360 D HN 0.609 nan 8.370 nan 0.000 0.435 361 W N 1.752 123.056 121.300 0.006 0.000 2.317 361 W HA -0.231 4.422 4.660 -0.012 0.000 0.318 361 W C 1.117 177.681 176.519 0.076 0.000 1.227 361 W CA 1.920 59.276 57.345 0.018 0.000 1.269 361 W CB -0.297 29.154 29.460 -0.015 0.000 1.155 361 W HN 0.466 nan 8.180 nan 0.000 0.484 362 D N 0.276 120.874 120.400 0.330 0.000 2.123 362 D HA -0.208 4.425 4.640 -0.012 0.000 0.196 362 D C 1.877 178.277 176.300 0.168 0.000 0.992 362 D CA 1.993 56.157 54.000 0.275 0.000 0.833 362 D CB -0.415 40.515 40.800 0.218 0.000 0.954 362 D HN 0.092 nan 8.370 nan 0.000 0.455 363 K N 1.158 121.615 120.400 0.095 0.000 2.031 363 K HA 0.036 4.349 4.320 -0.012 0.000 0.205 363 K C 1.859 178.448 176.600 -0.019 0.000 1.049 363 K CA 1.429 57.743 56.287 0.046 0.000 0.939 363 K CB -0.575 31.948 32.500 0.039 0.000 0.717 363 K HN -0.012 nan 8.250 nan 0.000 0.438 364 A N 0.801 123.568 122.820 -0.089 0.000 1.883 364 A HA -0.205 4.108 4.320 -0.012 0.000 0.217 364 A C 2.270 179.753 177.584 -0.168 0.000 1.186 364 A CA 1.614 53.528 52.037 -0.205 0.000 0.624 364 A CB -1.285 17.528 19.000 -0.311 0.000 0.822 364 A HN 0.705 nan 8.150 nan 0.000 0.444 365 W N 0.564 121.648 121.300 -0.359 0.000 2.358 365 W HA -0.172 4.481 4.660 -0.012 0.000 0.303 365 W C 2.029 178.486 176.519 -0.104 0.000 1.208 365 W CA 1.850 59.034 57.345 -0.268 0.000 1.274 365 W CB -0.166 29.171 29.460 -0.205 0.000 1.138 365 W HN 0.606 nan 8.180 nan 0.000 0.515 366 E N 0.070 120.255 120.200 -0.026 0.000 2.058 366 E HA -0.242 4.101 4.350 -0.012 0.000 0.194 366 E C 2.041 178.560 176.600 -0.135 0.000 0.997 366 E CA 2.046 58.398 56.400 -0.080 0.000 0.801 366 E CB -0.314 29.397 29.700 0.018 0.000 0.746 366 E HN 0.069 nan 8.360 nan 0.000 0.450 367 V N 0.600 120.450 119.914 -0.108 0.000 2.295 367 V HA -0.255 3.858 4.120 -0.012 0.000 0.246 367 V C 2.394 178.418 176.094 -0.116 0.000 1.049 367 V CA 2.175 64.431 62.300 -0.074 0.000 1.024 367 V CB -0.731 31.046 31.823 -0.077 0.000 0.648 367 V HN 0.376 nan 8.190 nan 0.000 0.447 368 T N 0.025 114.435 114.554 -0.240 0.000 2.684 368 T HA -0.180 4.162 4.350 -0.012 0.000 0.267 368 T C 1.945 176.456 174.700 -0.315 0.000 1.036 368 T CA 1.782 63.712 62.100 -0.284 0.000 1.148 368 T CB -0.282 68.361 68.868 -0.375 0.000 0.863 368 T HN 0.278 nan 8.240 nan 0.000 0.436 369 V N 1.369 120.980 119.914 -0.506 0.000 2.295 369 V HA -0.177 3.936 4.120 -0.012 0.000 0.246 369 V C 2.383 178.434 176.094 -0.073 0.000 1.049 369 V CA 1.657 63.726 62.300 -0.385 0.000 1.024 369 V CB -0.491 31.033 31.823 -0.498 0.000 0.648 369 V HN 0.452 nan 8.190 nan 0.000 0.447 370 K N -0.432 119.906 120.400 -0.103 0.000 2.283 370 K HA -0.101 4.212 4.320 -0.012 0.000 0.202 370 K C 2.098 178.667 176.600 -0.051 0.000 1.048 370 K CA 1.608 57.815 56.287 -0.134 0.000 0.948 370 K CB -0.222 32.201 32.500 -0.129 0.000 0.742 370 K HN 0.495 nan 8.250 nan 0.000 0.458 371 T N 0.123 114.707 114.554 0.050 0.000 2.937 371 T HA 0.012 4.355 4.350 -0.012 0.000 0.260 371 T C 0.934 175.744 174.700 0.184 0.000 1.051 371 T CA 0.421 62.587 62.100 0.111 0.000 1.141 371 T CB 0.082 69.048 68.868 0.163 0.000 0.879 371 T HN 0.160 nan 8.240 nan 0.000 0.459 372 C N 2.313 121.705 119.300 0.153 0.000 2.401 372 C HA 0.879 5.332 4.460 -0.012 0.000 0.365 372 C C 0.597 175.635 174.990 0.080 0.000 1.250 372 C CA -1.227 57.857 59.018 0.109 0.000 2.131 372 C CB 0.091 27.835 27.740 0.008 0.000 2.445 372 C HN 0.601 nan 8.230 nan 0.000 0.550 373 A N 2.106 124.969 122.820 0.070 0.000 2.475 373 A HA 0.773 5.086 4.320 -0.012 0.000 0.301 373 A C -1.572 176.081 177.584 0.114 0.000 1.059 373 A CA -0.428 51.596 52.037 -0.021 0.000 0.710 373 A CB 1.080 20.066 19.000 -0.022 0.000 1.288 373 A HN 0.951 nan 8.150 nan 0.000 0.408 374 Y N 1.080 121.329 120.300 -0.086 0.000 2.361 374 Y HA 0.614 5.157 4.550 -0.011 0.000 0.337 374 Y C -0.546 175.335 175.900 -0.030 0.000 0.965 374 Y CA -0.318 57.746 58.100 -0.061 0.000 1.091 374 Y CB 2.020 40.402 38.460 -0.130 0.000 1.182 374 Y HN 0.562 nan 8.280 nan 0.000 0.450 375 T N 6.636 120.975 114.554 -0.357 0.000 2.743 375 T HA 0.161 4.504 4.350 -0.012 0.000 0.292 375 T C -0.577 173.646 174.700 -0.795 0.000 0.972 375 T CA -0.720 61.100 62.100 -0.467 0.000 0.967 375 T CB 0.252 69.071 68.868 -0.081 0.000 0.926 375 T HN 0.649 nan 8.240 nan 0.000 0.459 376 N N 1.934 120.157 118.700 -0.795 0.000 2.499 376 N HA 0.092 4.824 4.740 -0.012 0.000 0.281 376 N C 0.176 175.581 175.510 -0.174 0.000 1.098 376 N CA -0.244 52.592 53.050 -0.355 0.000 0.979 376 N CB 0.725 39.195 38.487 -0.029 0.000 1.121 376 N HN 0.640 nan 8.380 nan 0.000 0.466 377 H N 1.034 120.142 119.070 0.063 0.000 2.827 377 H HA 0.170 4.719 4.556 -0.012 0.000 0.269 377 H C -0.149 175.089 175.328 -0.149 0.000 1.031 377 H CA 0.160 56.196 56.048 -0.020 0.000 1.202 377 H CB 1.122 30.877 29.762 -0.011 0.000 1.511 377 H HN 0.544 nan 8.280 nan 0.000 0.517 378 T N -0.080 114.486 114.554 0.020 0.000 2.907 378 T HA 0.165 4.508 4.350 -0.012 0.000 0.344 378 T C 0.530 175.248 174.700 0.029 0.000 1.675 378 T CA -0.241 61.809 62.100 -0.084 0.000 1.076 378 T CB 1.023 69.832 68.868 -0.099 0.000 1.483 378 T HN -0.062 nan 8.240 nan 0.000 0.487 379 V N 1.748 121.646 119.914 -0.026 0.000 3.660 379 V HA 0.545 4.658 4.120 -0.012 0.000 0.276 379 V C 0.791 176.834 176.094 -0.084 0.000 1.317 379 V CA 0.198 62.465 62.300 -0.056 0.000 1.097 379 V CB -0.556 31.234 31.823 -0.054 0.000 0.863 379 V HN 0.677 nan 8.190 nan 0.000 0.438 380 L N 2.806 123.966 121.223 -0.105 0.000 2.462 380 L HA 0.229 4.562 4.340 -0.012 0.000 0.272 380 L C -0.616 176.223 176.870 -0.050 0.000 1.166 380 L CA -1.072 53.720 54.840 -0.080 0.000 0.880 380 L CB 0.685 42.661 42.059 -0.138 0.000 1.142 380 L HN 0.125 nan 8.230 nan 0.000 0.473 381 P HA -0.193 nan 4.420 nan 0.000 0.218 381 P C 0.968 178.226 177.300 -0.071 0.000 1.149 381 P CA 1.140 64.211 63.100 -0.047 0.000 0.817 381 P CB 0.060 31.744 31.700 -0.026 0.000 0.785 382 E N 0.510 120.682 120.200 -0.047 0.000 2.333 382 E HA -0.097 4.246 4.350 -0.012 0.000 0.198 382 E C 1.609 178.048 176.600 -0.269 0.000 1.007 382 E CA 1.267 57.565 56.400 -0.169 0.000 0.845 382 E CB -0.804 28.904 29.700 0.013 0.000 0.766 382 E HN 0.216 nan 8.360 nan 0.000 0.507 383 A N 1.261 124.018 122.820 -0.104 0.000 2.238 383 A HA 0.236 4.549 4.320 -0.012 0.000 0.210 383 A C 1.239 178.780 177.584 -0.072 0.000 1.179 383 A CA -0.336 51.675 52.037 -0.042 0.000 0.827 383 A CB -0.020 18.996 19.000 0.026 0.000 0.856 383 A HN 0.121 nan 8.150 nan 0.000 0.488 384 L N 1.647 122.779 121.223 -0.152 0.000 2.360 384 L HA 0.150 4.483 4.340 -0.012 0.000 0.276 384 L C -0.168 176.340 176.870 -0.604 0.000 1.121 384 L CA -0.061 54.634 54.840 -0.241 0.000 0.845 384 L CB 0.581 42.528 42.059 -0.187 0.000 1.143 384 L HN 0.343 nan 8.230 nan 0.000 0.452 385 E N 4.565 124.348 120.200 -0.695 0.000 2.180 385 E HA 0.234 4.577 4.350 -0.012 0.000 0.283 385 E C -0.543 175.408 176.600 -1.082 0.000 1.061 385 E CA -0.216 55.360 56.400 -1.374 0.000 0.861 385 E CB 0.774 30.055 29.700 -0.698 0.000 1.056 385 E HN 0.403 nan 8.360 nan 0.000 0.407 386 R N 3.634 123.294 120.500 -1.400 0.000 2.487 386 R HA 0.193 4.526 4.340 -0.012 0.000 0.288 386 R C -1.252 174.853 176.300 -0.324 0.000 1.394 386 R CA -0.538 55.216 56.100 -0.577 0.000 1.155 386 R CB 0.781 30.878 30.300 -0.339 0.000 1.156 386 R HN 0.447 nan 8.270 nan 0.000 0.553 387 W N 4.367 125.618 121.300 -0.081 0.000 2.287 387 W HA 0.259 4.912 4.660 -0.012 0.000 0.313 387 W C -1.869 174.643 176.519 -0.011 0.000 1.267 387 W CA -2.102 55.272 57.345 0.049 0.000 1.201 387 W CB 0.677 30.138 29.460 0.002 0.000 1.196 387 W HN 0.251 nan 8.180 nan 0.000 0.536 388 P HA -0.086 nan 4.420 nan 0.000 0.264 388 P C 0.784 178.056 177.300 -0.047 0.000 1.193 388 P CA 0.211 63.324 63.100 0.021 0.000 0.763 388 P CB 0.723 32.294 31.700 -0.215 0.000 0.810 389 V N 3.275 123.207 119.914 0.031 0.000 2.392 389 V HA -0.289 3.824 4.120 -0.012 0.000 0.249 389 V C 2.128 178.242 176.094 0.033 0.000 1.059 389 V CA 2.558 64.886 62.300 0.046 0.000 1.051 389 V CB -1.706 30.201 31.823 0.140 0.000 0.658 389 V HN 0.762 nan 8.190 nan 0.000 0.455 390 H N -1.137 117.995 119.070 0.102 0.000 2.423 390 H HA -0.070 4.479 4.556 -0.012 0.000 0.297 390 H C 2.029 177.409 175.328 0.085 0.000 1.075 390 H CA 1.569 57.673 56.048 0.092 0.000 1.342 390 H CB -0.576 29.241 29.762 0.092 0.000 1.395 390 H HN 0.348 nan 8.280 nan 0.000 0.530 391 L N 0.053 121.114 121.223 -0.269 0.000 2.027 391 L HA -0.116 4.217 4.340 -0.012 0.000 0.206 391 L C 2.386 179.205 176.870 -0.084 0.000 1.074 391 L CA 1.140 55.918 54.840 -0.103 0.000 0.745 391 L CB -0.295 41.695 42.059 -0.115 0.000 0.898 391 L HN 0.321 nan 8.230 nan 0.000 0.433 392 L N -0.668 120.484 121.223 -0.119 0.000 2.141 392 L HA -0.215 4.118 4.340 -0.012 0.000 0.209 392 L C 2.459 179.267 176.870 -0.103 0.000 1.094 392 L CA 1.002 55.747 54.840 -0.159 0.000 0.763 392 L CB -0.395 41.558 42.059 -0.177 0.000 0.908 392 L HN 0.289 nan 8.230 nan 0.000 0.437 393 E N -0.367 119.817 120.200 -0.026 0.000 2.058 393 E HA -0.211 4.132 4.350 -0.012 0.000 0.194 393 E C 1.969 178.608 176.600 0.065 0.000 0.997 393 E CA 1.992 58.410 56.400 0.030 0.000 0.801 393 E CB 0.131 29.889 29.700 0.097 0.000 0.746 393 E HN 0.417 nan 8.360 nan 0.000 0.450 394 T N 0.527 115.142 114.554 0.102 0.000 2.852 394 T HA -0.071 4.272 4.350 -0.012 0.000 0.256 394 T C 1.729 176.541 174.700 0.186 0.000 1.038 394 T CA 0.677 62.889 62.100 0.186 0.000 1.141 394 T CB -0.128 68.881 68.868 0.235 0.000 0.869 394 T HN 0.053 nan 8.240 nan 0.000 0.439 395 L N -0.006 121.227 121.223 0.016 0.000 2.127 395 L HA 0.343 4.676 4.340 -0.012 0.000 0.203 395 L C 0.389 177.196 176.870 -0.105 0.000 1.080 395 L CA 1.570 56.306 54.840 -0.172 0.000 0.768 395 L CB 0.048 41.969 42.059 -0.230 0.000 0.924 395 L HN 0.174 nan 8.230 nan 0.000 0.444 396 L N 0.583 121.700 121.223 -0.177 0.000 2.551 396 L HA 0.288 4.621 4.340 -0.012 0.000 0.248 396 L C -1.746 174.932 176.870 -0.319 0.000 1.509 396 L CA -0.906 53.728 54.840 -0.343 0.000 0.842 396 L CB 0.930 42.628 42.059 -0.602 0.000 1.087 396 L HN -0.059 nan 8.230 nan 0.000 0.512 397 P HA -0.180 nan 4.420 nan 0.000 0.217 397 P C 1.493 178.597 177.300 -0.327 0.000 1.150 397 P CA 1.115 64.092 63.100 -0.205 0.000 0.832 397 P CB 0.365 32.026 31.700 -0.065 0.000 0.787 398 R N -0.227 119.890 120.500 -0.638 0.000 2.092 398 R HA -0.149 4.184 4.340 -0.012 0.000 0.231 398 R C 2.302 178.294 176.300 -0.514 0.000 1.119 398 R CA 1.589 57.323 56.100 -0.610 0.000 0.970 398 R CB -1.336 28.438 30.300 -0.878 0.000 0.864 398 R HN 0.220 nan 8.270 nan 0.000 0.440 399 H N -0.277 118.475 119.070 -0.530 0.000 2.389 399 H HA -0.047 4.502 4.556 -0.012 0.000 0.299 399 H C 1.787 176.937 175.328 -0.297 0.000 1.081 399 H CA 1.589 57.411 56.048 -0.377 0.000 1.345 399 H CB -0.076 29.425 29.762 -0.436 0.000 1.393 399 H HN 0.106 nan 8.280 nan 0.000 0.520 400 L N 0.511 121.603 121.223 -0.218 0.000 2.046 400 L HA -0.242 4.090 4.340 -0.012 0.000 0.208 400 L C 1.848 178.509 176.870 -0.349 0.000 1.077 400 L CA 1.606 56.244 54.840 -0.337 0.000 0.747 400 L CB -0.279 41.597 42.059 -0.305 0.000 0.896 400 L HN 0.451 nan 8.230 nan 0.000 0.432 401 Q N -0.365 119.347 119.800 -0.147 0.000 2.124 401 Q HA -0.224 4.109 4.340 -0.012 0.000 0.202 401 Q C 2.154 178.171 176.000 0.029 0.000 0.977 401 Q CA 1.531 57.343 55.803 0.015 0.000 0.850 401 Q CB -0.070 28.682 28.738 0.024 0.000 0.901 401 Q HN 0.552 nan 8.270 nan 0.000 0.429 402 I N 0.358 120.922 120.570 -0.009 0.000 2.252 402 I HA -0.259 3.904 4.170 -0.012 0.000 0.245 402 I C 2.131 178.321 176.117 0.122 0.000 1.102 402 I CA 0.989 62.366 61.300 0.128 0.000 1.385 402 I CB -0.107 37.920 38.000 0.045 0.000 1.064 402 I HN 0.175 nan 8.210 nan 0.000 0.414 403 I N -0.472 120.088 120.570 -0.016 0.000 2.226 403 I HA -0.320 3.842 4.170 -0.012 0.000 0.245 403 I C 2.387 178.521 176.117 0.029 0.000 1.100 403 I CA 1.424 62.704 61.300 -0.033 0.000 1.374 403 I CB -0.373 37.541 38.000 -0.145 0.000 1.057 403 I HN 0.159 nan 8.210 nan 0.000 0.413 404 Y N 0.835 121.140 120.300 0.008 0.000 2.181 404 Y HA -0.282 4.261 4.550 -0.012 0.000 0.288 404 Y C 2.607 178.475 175.900 -0.053 0.000 1.146 404 Y CA 1.584 59.676 58.100 -0.014 0.000 1.164 404 Y CB -0.801 37.643 38.460 -0.026 0.000 0.982 404 Y HN 0.201 nan 8.280 nan 0.000 0.515 405 E N 0.340 120.581 120.200 0.068 0.000 2.072 405 E HA -0.137 4.206 4.350 -0.012 0.000 0.191 405 E C 2.086 178.610 176.600 -0.127 0.000 0.985 405 E CA 1.215 57.518 56.400 -0.162 0.000 0.801 405 E CB -0.534 28.899 29.700 -0.445 0.000 0.750 405 E HN 0.469 nan 8.360 nan 0.000 0.452 406 I N 0.715 121.309 120.570 0.040 0.000 2.163 406 I HA -0.301 3.862 4.170 -0.012 0.000 0.243 406 I C 2.296 178.418 176.117 0.009 0.000 1.085 406 I CA 1.424 62.700 61.300 -0.041 0.000 1.347 406 I CB -0.425 37.550 38.000 -0.041 0.000 1.044 406 I HN 0.219 nan 8.210 nan 0.000 0.408 407 N N 0.776 119.526 118.700 0.085 0.000 2.069 407 N HA -0.280 4.453 4.740 -0.012 0.000 0.191 407 N C 1.873 177.472 175.510 0.148 0.000 1.031 407 N CA 1.691 54.840 53.050 0.166 0.000 0.852 407 N CB -0.213 38.387 38.487 0.188 0.000 1.018 407 N HN 0.324 nan 8.380 nan 0.000 0.423 408 Q N 0.055 119.888 119.800 0.055 0.000 2.045 408 Q HA -0.178 4.155 4.340 -0.012 0.000 0.206 408 Q C 2.033 178.020 176.000 -0.022 0.000 0.991 408 Q CA 1.635 57.433 55.803 -0.007 0.000 0.851 408 Q CB -0.054 28.639 28.738 -0.075 0.000 0.911 408 Q HN 0.393 nan 8.270 nan 0.000 0.418 409 R N -0.751 119.714 120.500 -0.058 0.000 2.115 409 R HA -0.114 4.219 4.340 -0.012 0.000 0.230 409 R C 2.172 178.495 176.300 0.040 0.000 1.111 409 R CA 1.241 57.304 56.100 -0.061 0.000 0.976 409 R CB -0.344 29.868 30.300 -0.147 0.000 0.870 409 R HN 0.293 nan 8.270 nan 0.000 0.445 410 F N 1.395 121.320 119.950 -0.042 0.000 2.113 410 F HA -0.101 4.419 4.527 -0.012 0.000 0.297 410 F C 1.806 177.629 175.800 0.038 0.000 1.103 410 F CA 1.349 59.371 58.000 0.037 0.000 1.248 410 F CB -0.149 38.904 39.000 0.089 0.000 0.999 410 F HN -0.116 nan 8.300 nan 0.000 0.475 411 L N -0.004 121.227 121.223 0.014 0.000 2.141 411 L HA -0.221 4.112 4.340 -0.012 0.000 0.209 411 L C 1.993 178.798 176.870 -0.110 0.000 1.094 411 L CA 1.526 56.316 54.840 -0.083 0.000 0.763 411 L CB -0.878 41.198 42.059 0.028 0.000 0.908 411 L HN 0.244 nan 8.230 nan 0.000 0.437 412 N N -0.191 118.463 118.700 -0.076 0.000 2.166 412 N HA -0.184 4.549 4.740 -0.012 0.000 0.186 412 N C 1.938 177.393 175.510 -0.092 0.000 1.019 412 N CA 0.815 53.822 53.050 -0.072 0.000 0.856 412 N CB -0.022 38.429 38.487 -0.059 0.000 0.993 412 N HN 0.250 nan 8.380 nan 0.000 0.426 413 R N 0.579 121.005 120.500 -0.123 0.000 2.075 413 R HA -0.051 4.282 4.340 -0.012 0.000 0.232 413 R C 2.168 178.362 176.300 -0.175 0.000 1.126 413 R CA 0.838 56.856 56.100 -0.136 0.000 0.963 413 R CB -0.221 30.005 30.300 -0.124 0.000 0.858 413 R HN 0.060 nan 8.270 nan 0.000 0.435 414 V N 0.717 120.473 119.914 -0.263 0.000 2.295 414 V HA -0.255 3.857 4.120 -0.012 0.000 0.246 414 V C 2.373 178.460 176.094 -0.012 0.000 1.049 414 V CA 2.006 64.216 62.300 -0.151 0.000 1.024 414 V CB -0.734 30.930 31.823 -0.266 0.000 0.648 414 V HN 0.443 nan 8.190 nan 0.000 0.447 415 A N -0.041 122.746 122.820 -0.054 0.000 1.940 415 A HA -0.129 4.184 4.320 -0.012 0.000 0.219 415 A C 2.374 179.936 177.584 -0.037 0.000 1.176 415 A CA 2.162 54.184 52.037 -0.024 0.000 0.631 415 A CB -0.704 18.274 19.000 -0.037 0.000 0.814 415 A HN 0.590 nan 8.150 nan 0.000 0.446 416 A N -0.623 122.155 122.820 -0.071 0.000 1.968 416 A HA 0.311 4.624 4.320 -0.012 0.000 0.217 416 A C 2.377 179.871 177.584 -0.149 0.000 1.169 416 A CA 1.677 53.660 52.037 -0.089 0.000 0.638 416 A CB -0.666 18.285 19.000 -0.082 0.000 0.812 416 A HN 0.948 nan 8.150 nan 0.000 0.446 417 A N -1.411 121.276 122.820 -0.222 0.000 1.975 417 A HA 0.358 4.671 4.320 -0.012 0.000 0.215 417 A C 0.458 177.594 177.584 -0.748 0.000 1.170 417 A CA 0.548 52.280 52.037 -0.508 0.000 0.656 417 A CB -0.179 18.439 19.000 -0.637 0.000 0.821 417 A HN 0.430 nan 8.150 nan 0.000 0.449 418 F N 0.096 119.999 119.950 -0.078 0.000 2.622 418 F HA 0.354 4.874 4.527 -0.012 0.000 0.338 418 F C -2.791 172.972 175.800 -0.061 0.000 1.334 418 F CA -2.795 55.164 58.000 -0.068 0.000 1.179 418 F CB 0.777 39.730 39.000 -0.079 0.000 1.471 418 F HN -0.068 nan 8.300 nan 0.000 0.576 419 P HA 0.200 nan 4.420 nan 0.000 0.267 419 P C 1.012 178.331 177.300 0.033 0.000 1.205 419 P CA 0.904 64.016 63.100 0.020 0.000 0.765 419 P CB 0.962 32.655 31.700 -0.011 0.000 0.828 420 G N 2.430 111.242 108.800 0.020 0.000 2.205 420 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.261 420 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.261 420 G C 0.340 175.249 174.900 0.014 0.000 0.980 420 G CA 0.047 45.155 45.100 0.013 0.000 0.632 420 G HN 0.607 nan 8.290 nan 0.000 0.533 421 D N 1.458 121.875 120.400 0.028 0.000 2.551 421 D HA 0.371 5.004 4.640 -0.012 0.000 0.223 421 D C 2.115 178.405 176.300 -0.016 0.000 1.144 421 D CA 0.409 54.412 54.000 0.004 0.000 1.025 421 D CB 0.348 41.148 40.800 0.001 0.000 1.085 421 D HN 0.580 nan 8.370 nan 0.000 0.506 422 V N 0.658 120.564 119.914 -0.013 0.000 2.515 422 V HA -0.149 3.964 4.120 -0.012 0.000 0.250 422 V C 1.778 177.861 176.094 -0.018 0.000 1.058 422 V CA 1.520 63.812 62.300 -0.013 0.000 1.064 422 V CB -0.468 31.351 31.823 -0.007 0.000 0.675 422 V HN 0.208 nan 8.190 nan 0.000 0.461 423 D N 0.169 120.554 120.400 -0.025 0.000 2.183 423 D HA -0.122 4.511 4.640 -0.012 0.000 0.203 423 D C 2.323 178.597 176.300 -0.043 0.000 0.969 423 D CA 1.018 55.004 54.000 -0.024 0.000 0.842 423 D CB -0.161 40.626 40.800 -0.022 0.000 0.957 423 D HN 0.419 nan 8.370 nan 0.000 0.484 424 R N -0.075 120.376 120.500 -0.081 0.000 2.081 424 R HA -0.107 4.226 4.340 -0.012 0.000 0.235 424 R C 2.210 178.449 176.300 -0.102 0.000 1.131 424 R CA 0.946 56.962 56.100 -0.139 0.000 0.960 424 R CB -0.265 29.893 30.300 -0.237 0.000 0.856 424 R HN 0.247 nan 8.270 nan 0.000 0.436 425 L N 0.567 121.753 121.223 -0.062 0.000 2.013 425 L HA -0.244 4.089 4.340 -0.012 0.000 0.212 425 L C 2.718 179.598 176.870 0.018 0.000 1.073 425 L CA 2.069 56.893 54.840 -0.027 0.000 0.753 425 L CB -0.559 41.491 42.059 -0.014 0.000 0.890 425 L HN 0.311 nan 8.230 nan 0.000 0.432 426 R N 0.070 120.583 120.500 0.023 0.000 2.115 426 R HA -0.105 4.228 4.340 -0.012 0.000 0.230 426 R C 2.181 178.535 176.300 0.090 0.000 1.111 426 R CA 1.007 57.141 56.100 0.056 0.000 0.976 426 R CB -0.532 29.794 30.300 0.042 0.000 0.870 426 R HN 0.196 nan 8.270 nan 0.000 0.445 427 R N 0.090 120.627 120.500 0.061 0.000 2.115 427 R HA 0.089 4.422 4.340 -0.012 0.000 0.230 427 R C 1.984 178.384 176.300 0.166 0.000 1.111 427 R CA 1.783 57.945 56.100 0.103 0.000 0.976 427 R CB -0.160 30.161 30.300 0.035 0.000 0.870 427 R HN 0.340 nan 8.270 nan 0.000 0.445 428 M N -0.140 119.490 119.600 0.050 0.000 2.465 428 M HA 0.054 4.527 4.480 -0.012 0.000 0.249 428 M C 0.800 177.281 176.300 0.302 0.000 1.130 428 M CA -0.050 55.239 55.300 -0.019 0.000 1.067 428 M CB 0.565 32.991 32.600 -0.291 0.000 1.394 428 M HN -0.090 nan 8.290 nan 0.000 0.483 429 S N 1.191 117.065 115.700 0.291 0.000 2.558 429 S HA 0.050 4.513 4.470 -0.012 0.000 0.291 429 S C 1.134 175.980 174.600 0.411 0.000 1.306 429 S CA -0.211 58.178 58.200 0.314 0.000 1.056 429 S CB 0.534 63.859 63.200 0.209 0.000 0.836 429 S HN 0.371 nan 8.310 nan 0.000 0.504 430 L N 4.191 125.605 121.223 0.319 0.000 2.313 430 L HA 0.115 4.448 4.340 -0.012 0.000 0.214 430 L C 0.307 177.276 176.870 0.166 0.000 1.119 430 L CA 0.231 55.215 54.840 0.240 0.000 0.809 430 L CB -0.456 41.689 42.059 0.144 0.000 0.933 430 L HN 0.388 nan 8.230 nan 0.000 0.449 431 V N 1.017 121.044 119.914 0.188 0.000 2.364 431 V HA 0.160 4.273 4.120 -0.012 0.000 0.272 431 V C 0.086 176.264 176.094 0.140 0.000 1.036 431 V CA -0.553 61.849 62.300 0.170 0.000 0.880 431 V CB 1.259 33.218 31.823 0.227 0.000 0.991 431 V HN 0.183 nan 8.190 nan 0.000 0.460 432 E N 3.532 123.794 120.200 0.104 0.000 2.146 432 E HA 0.384 4.726 4.350 -0.012 0.000 0.282 432 E C -0.640 176.009 176.600 0.083 0.000 0.989 432 E CA -0.496 55.954 56.400 0.084 0.000 0.799 432 E CB 1.792 31.520 29.700 0.047 0.000 1.088 432 E HN 0.616 nan 8.360 nan 0.000 0.397 433 E N 1.058 121.303 120.200 0.076 0.000 2.318 433 E HA 0.612 4.955 4.350 -0.012 0.000 0.265 433 E C 0.155 176.789 176.600 0.057 0.000 1.069 433 E CA 0.297 56.736 56.400 0.066 0.000 0.893 433 E CB 1.449 31.182 29.700 0.055 0.000 1.076 433 E HN 0.641 nan 8.360 nan 0.000 0.414 434 G N -0.260 108.573 108.800 0.055 0.000 2.350 434 G HA2 0.283 4.236 3.960 -0.012 0.000 0.276 434 G HA3 0.283 4.236 3.960 -0.012 0.000 0.276 434 G C 0.365 175.296 174.900 0.052 0.000 1.313 434 G CA 0.068 45.198 45.100 0.049 0.000 0.903 434 G HN 0.579 nan 8.290 nan 0.000 0.490 435 A N -0.921 121.928 122.820 0.048 0.000 1.870 435 A HA 0.245 4.558 4.320 -0.012 0.000 0.219 435 A C 1.690 179.314 177.584 0.066 0.000 1.224 435 A CA 3.849 55.915 52.037 0.050 0.000 0.650 435 A CB -1.322 17.705 19.000 0.046 0.000 0.836 435 A HN 2.318 nan 8.150 nan 0.000 0.454 436 V N -3.162 116.803 119.914 0.086 0.000 2.513 436 V HA 0.538 4.651 4.120 -0.012 0.000 0.299 436 V C -0.426 175.739 176.094 0.119 0.000 1.035 436 V CA -1.420 60.955 62.300 0.124 0.000 0.889 436 V CB 1.468 33.395 31.823 0.173 0.000 0.988 436 V HN 0.330 nan 8.190 nan 0.000 0.440 437 K N 4.003 124.483 120.400 0.133 0.000 2.326 437 K HA 0.489 4.802 4.320 -0.012 0.000 0.275 437 K C -0.363 176.312 176.600 0.125 0.000 1.018 437 K CA -0.178 56.184 56.287 0.125 0.000 0.962 437 K CB 0.919 33.505 32.500 0.143 0.000 0.953 437 K HN 0.734 nan 8.250 nan 0.000 0.475 438 R N 1.488 122.048 120.500 0.100 0.000 2.837 438 R HA 0.480 4.813 4.340 -0.012 0.000 0.271 438 R C -0.578 175.762 176.300 0.067 0.000 0.993 438 R CA -1.037 55.111 56.100 0.081 0.000 0.931 438 R CB 1.280 31.607 30.300 0.046 0.000 1.206 438 R HN 0.367 nan 8.270 nan 0.000 0.474 439 I N 1.911 122.516 120.570 0.059 0.000 2.336 439 I HA 0.158 4.321 4.170 -0.012 0.000 0.292 439 I C -0.133 175.965 176.117 -0.031 0.000 0.991 439 I CA -0.761 60.559 61.300 0.033 0.000 1.227 439 I CB 1.065 39.084 38.000 0.032 0.000 1.366 439 I HN 0.498 nan 8.210 nan 0.000 0.466 440 N N 7.076 125.728 118.700 -0.080 0.000 2.402 440 N HA 0.104 4.837 4.740 -0.012 0.000 0.252 440 N C 0.757 176.165 175.510 -0.169 0.000 1.118 440 N CA -0.293 52.629 53.050 -0.214 0.000 0.945 440 N CB 0.972 39.194 38.487 -0.442 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.406 121.906 119.600 -0.167 0.000 2.319 441 M HA -0.018 4.454 4.480 -0.012 0.000 0.265 441 M C 1.889 178.050 176.300 -0.231 0.000 1.068 441 M CA 0.599 55.823 55.300 -0.128 0.000 1.118 441 M CB -1.483 31.090 32.600 -0.045 0.000 1.395 441 M HN 0.604 nan 8.290 nan 0.000 0.435 442 A N -0.436 122.245 122.820 -0.233 0.000 1.930 442 A HA -0.167 4.146 4.320 -0.012 0.000 0.217 442 A C 1.982 179.357 177.584 -0.348 0.000 1.175 442 A CA 1.413 53.282 52.037 -0.279 0.000 0.627 442 A CB -1.074 17.970 19.000 0.072 0.000 0.815 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.120 117.740 119.070 -0.350 0.000 2.357 443 H HA 0.005 4.554 4.556 -0.012 0.000 0.301 443 H C 2.125 177.228 175.328 -0.374 0.000 1.082 443 H CA 0.873 56.678 56.048 -0.406 0.000 1.342 443 H CB -0.052 29.672 29.762 -0.063 0.000 1.389 443 H HN 0.358 nan 8.280 nan 0.000 0.511 444 L N 0.432 121.574 121.223 -0.135 0.000 2.012 444 L HA -0.257 4.076 4.340 -0.012 0.000 0.210 444 L C 2.346 179.084 176.870 -0.220 0.000 1.073 444 L CA 1.380 56.136 54.840 -0.139 0.000 0.748 444 L CB -0.392 41.613 42.059 -0.090 0.000 0.891 444 L HN 0.454 nan 8.230 nan 0.000 0.431 445 C N -0.096 118.972 119.300 -0.387 0.000 2.429 445 C HA -0.183 4.270 4.460 -0.012 0.000 0.277 445 C C 2.651 177.390 174.990 -0.418 0.000 1.262 445 C CA 0.645 59.352 59.018 -0.518 0.000 1.733 445 C CB -0.761 26.275 27.740 -1.174 0.000 2.010 445 C HN 0.504 nan 8.230 nan 0.000 0.483 446 I N 1.331 121.606 120.570 -0.491 0.000 2.202 446 I HA -0.191 3.972 4.170 -0.012 0.000 0.242 446 I C 2.768 178.744 176.117 -0.235 0.000 1.091 446 I CA 1.587 62.643 61.300 -0.407 0.000 1.368 446 I CB -0.597 37.005 38.000 -0.664 0.000 1.058 446 I HN 0.264 nan 8.210 nan 0.000 0.410 447 A N 0.656 123.310 122.820 -0.277 0.000 1.908 447 A HA -0.149 4.163 4.320 -0.012 0.000 0.218 447 A C 2.239 179.894 177.584 0.119 0.000 1.181 447 A CA 2.054 53.987 52.037 -0.173 0.000 0.627 447 A CB -1.275 17.452 19.000 -0.454 0.000 0.818 447 A HN 0.487 nan 8.150 nan 0.000 0.445 448 G N -1.321 107.483 108.800 0.007 0.000 3.189 448 G HA2 0.408 4.361 3.960 -0.012 0.000 0.225 448 G HA3 0.408 4.361 3.960 -0.012 0.000 0.225 448 G C 0.140 174.885 174.900 -0.259 0.000 1.159 448 G CA 0.552 45.537 45.100 -0.192 0.000 0.763 448 G HN 0.369 nan 8.290 nan 0.000 0.549 449 S N -0.292 115.310 115.700 -0.162 0.000 2.536 449 S HA 0.319 4.781 4.470 -0.012 0.000 0.298 449 S C 0.785 175.331 174.600 -0.090 0.000 1.083 449 S CA -0.702 57.423 58.200 -0.125 0.000 0.995 449 S CB 1.310 64.439 63.200 -0.118 0.000 1.058 449 S HN 0.500 nan 8.310 nan 0.000 0.488 450 H N 0.062 119.093 119.070 -0.065 0.000 2.535 450 H HA 0.444 4.992 4.556 -0.012 0.000 0.273 450 H C 0.178 175.489 175.328 -0.028 0.000 0.983 450 H CA 0.367 56.403 56.048 -0.020 0.000 1.238 450 H CB 0.142 29.906 29.762 0.004 0.000 1.412 450 H HN 0.515 nan 8.280 nan 0.000 0.562 451 A N 1.079 123.584 122.820 -0.524 0.000 2.455 451 A HA 0.563 4.876 4.320 -0.012 0.000 0.300 451 A C -1.360 176.017 177.584 -0.344 0.000 1.040 451 A CA -0.586 51.207 52.037 -0.406 0.000 0.697 451 A CB 2.306 21.046 19.000 -0.434 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.160 123.836 119.914 -0.397 0.000 2.531 452 V HA 0.518 4.631 4.120 -0.012 0.000 0.301 452 V C -0.763 175.151 176.094 -0.300 0.000 1.034 452 V CA -0.786 61.279 62.300 -0.391 0.000 0.865 452 V CB 1.795 33.242 31.823 -0.626 0.000 0.995 452 V HN 1.008 nan 8.190 nan 0.000 0.424 453 N N 3.205 121.744 118.700 -0.268 0.000 2.238 453 N HA 0.601 5.334 4.740 -0.012 0.000 0.302 453 N C -0.233 175.176 175.510 -0.169 0.000 1.072 453 N CA -0.361 52.572 53.050 -0.194 0.000 0.792 453 N CB 2.895 41.241 38.487 -0.235 0.000 1.425 453 N HN 0.634 nan 8.380 nan 0.000 0.478 454 G N -0.627 108.105 108.800 -0.113 0.000 2.535 454 G HA2 0.414 4.367 3.960 -0.012 0.000 0.303 454 G HA3 0.414 4.367 3.960 -0.012 0.000 0.303 454 G C 0.782 175.741 174.900 0.098 0.000 1.237 454 G CA -0.467 44.611 45.100 -0.036 0.000 0.986 454 G HN 0.626 nan 8.290 nan 0.000 0.494 455 V N -3.816 116.285 119.914 0.310 0.000 3.427 455 V HA 0.697 4.810 4.120 -0.012 0.000 0.305 455 V C 0.570 176.751 176.094 0.144 0.000 1.412 455 V CA 0.421 62.816 62.300 0.158 0.000 1.086 455 V CB -0.759 31.111 31.823 0.079 0.000 0.964 455 V HN 1.330 nan 8.190 nan 0.000 0.439 456 A N -0.091 122.823 122.820 0.157 0.000 2.608 456 A HA 0.642 4.955 4.320 -0.012 0.000 0.292 456 A C 0.683 178.315 177.584 0.081 0.000 1.066 456 A CA -0.116 51.987 52.037 0.110 0.000 0.676 456 A CB 1.166 20.219 19.000 0.089 0.000 1.277 456 A HN 0.002 nan 8.150 nan 0.000 0.413 457 R N 0.606 121.134 120.500 0.046 0.000 2.096 457 R HA -0.147 4.186 4.340 -0.012 0.000 0.240 457 R C 1.667 177.964 176.300 -0.006 0.000 1.139 457 R CA 2.222 58.327 56.100 0.007 0.000 0.952 457 R CB -0.225 30.076 30.300 0.001 0.000 0.854 457 R HN 0.816 nan 8.270 nan 0.000 0.436 458 I N 0.265 120.841 120.570 0.010 0.000 2.286 458 I HA -0.298 3.865 4.170 -0.012 0.000 0.248 458 I C 2.334 178.461 176.117 0.016 0.000 1.115 458 I CA 1.809 63.108 61.300 -0.001 0.000 1.392 458 I CB -0.224 37.774 38.000 -0.004 0.000 1.065 458 I HN 0.342 nan 8.210 nan 0.000 0.418 459 H N 0.422 119.462 119.070 -0.050 0.000 2.299 459 H HA -0.117 4.432 4.556 -0.012 0.000 0.302 459 H C 2.285 177.577 175.328 -0.059 0.000 1.078 459 H CA 2.203 58.216 56.048 -0.057 0.000 1.323 459 H CB -0.337 29.397 29.762 -0.046 0.000 1.381 459 H HN 0.230 nan 8.280 nan 0.000 0.498 460 S N 0.516 116.082 115.700 -0.223 0.000 2.400 460 S HA -0.140 4.323 4.470 -0.012 0.000 0.232 460 S C 1.886 176.361 174.600 -0.209 0.000 1.025 460 S CA 1.290 59.343 58.200 -0.245 0.000 0.993 460 S CB -0.083 63.046 63.200 -0.118 0.000 0.808 460 S HN 0.487 nan 8.310 nan 0.000 0.478 461 E N 1.193 121.296 120.200 -0.162 0.000 2.046 461 E HA 0.017 4.360 4.350 -0.012 0.000 0.190 461 E C 2.066 178.555 176.600 -0.186 0.000 0.982 461 E CA 0.629 56.926 56.400 -0.171 0.000 0.800 461 E CB -0.423 29.207 29.700 -0.116 0.000 0.756 461 E HN 0.502 nan 8.360 nan 0.000 0.449 462 I N 1.123 121.601 120.570 -0.153 0.000 2.264 462 I HA -0.293 3.870 4.170 -0.012 0.000 0.248 462 I C 2.442 178.440 176.117 -0.199 0.000 1.111 462 I CA 0.871 62.085 61.300 -0.143 0.000 1.382 462 I CB -0.275 37.675 38.000 -0.084 0.000 1.060 462 I HN 0.058 nan 8.210 nan 0.000 0.418 463 L N 0.372 121.438 121.223 -0.261 0.000 2.012 463 L HA -0.247 4.086 4.340 -0.012 0.000 0.210 463 L C 2.512 179.256 176.870 -0.210 0.000 1.073 463 L CA 1.640 56.325 54.840 -0.259 0.000 0.748 463 L CB -0.580 41.377 42.059 -0.170 0.000 0.891 463 L HN 0.207 nan 8.230 nan 0.000 0.431 464 K N -0.267 119.945 120.400 -0.313 0.000 2.217 464 K HA -0.114 4.199 4.320 -0.012 0.000 0.202 464 K C 2.021 178.433 176.600 -0.313 0.000 1.051 464 K CA 0.875 56.856 56.287 -0.510 0.000 0.952 464 K CB 0.068 32.035 32.500 -0.888 0.000 0.736 464 K HN 0.278 nan 8.250 nan 0.000 0.453 465 K N -0.056 120.211 120.400 -0.221 0.000 2.284 465 K HA -0.018 4.295 4.320 -0.012 0.000 0.198 465 K C 1.885 178.431 176.600 -0.091 0.000 1.048 465 K CA 1.301 57.507 56.287 -0.134 0.000 0.987 465 K CB 0.543 32.972 32.500 -0.119 0.000 0.800 465 K HN 0.259 nan 8.250 nan 0.000 0.486 466 T N -1.291 113.198 114.554 -0.108 0.000 3.330 466 T HA 0.064 4.407 4.350 -0.012 0.000 0.185 466 T C 1.927 176.580 174.700 -0.079 0.000 0.874 466 T CA -0.033 62.015 62.100 -0.087 0.000 1.268 466 T CB -0.770 68.040 68.868 -0.097 0.000 1.866 466 T HN 0.098 nan 8.240 nan 0.000 0.395 467 I N -1.003 119.459 120.570 -0.179 0.000 2.454 467 I HA 0.221 4.384 4.170 -0.012 0.000 0.254 467 I C 1.388 177.491 176.117 -0.024 0.000 1.156 467 I CA 1.360 62.534 61.300 -0.210 0.000 1.433 467 I CB -0.602 37.128 38.000 -0.449 0.000 1.082 467 I HN 0.258 nan 8.210 nan 0.000 0.432 468 F N 0.858 120.866 119.950 0.096 0.000 2.735 468 F HA 0.328 4.848 4.527 -0.012 0.000 0.304 468 F C 2.015 177.878 175.800 0.106 0.000 1.119 468 F CA -0.648 57.465 58.000 0.188 0.000 1.280 468 F CB 0.185 39.275 39.000 0.150 0.000 0.994 468 F HN -0.090 nan 8.300 nan 0.000 0.520 469 K N 1.087 121.593 120.400 0.177 0.000 2.044 469 K HA -0.215 4.098 4.320 -0.012 0.000 0.210 469 K C 1.337 177.990 176.600 0.088 0.000 1.049 469 K CA 2.200 58.536 56.287 0.081 0.000 0.927 469 K CB -0.013 32.502 32.500 0.025 0.000 0.713 469 K HN 0.142 nan 8.250 nan 0.000 0.443 470 D N -0.103 120.330 120.400 0.053 0.000 2.123 470 D HA -0.166 4.466 4.640 -0.012 0.000 0.196 470 D C 1.797 178.012 176.300 -0.142 0.000 0.992 470 D CA 1.278 55.183 54.000 -0.158 0.000 0.833 470 D CB -0.299 40.314 40.800 -0.312 0.000 0.954 470 D HN 0.254 nan 8.370 nan 0.000 0.455 471 F N -0.335 119.681 119.950 0.111 0.000 2.206 471 F HA -0.120 4.400 4.527 -0.012 0.000 0.298 471 F C 2.321 178.260 175.800 0.233 0.000 1.090 471 F CA 0.432 58.575 58.000 0.238 0.000 1.323 471 F CB -0.612 38.595 39.000 0.345 0.000 1.028 471 F HN -0.038 nan 8.300 nan 0.000 0.492 472 Y N 1.320 121.587 120.300 -0.055 0.000 2.224 472 Y HA -0.187 4.356 4.550 -0.012 0.000 0.289 472 Y C 2.115 178.009 175.900 -0.009 0.000 1.146 472 Y CA 1.573 59.489 58.100 -0.306 0.000 1.182 472 Y CB -0.557 37.542 38.460 -0.601 0.000 0.983 472 Y HN 0.122 nan 8.280 nan 0.000 0.524 473 E N -0.386 119.777 120.200 -0.062 0.000 2.072 473 E HA -0.198 4.145 4.350 -0.012 0.000 0.191 473 E C 2.005 178.677 176.600 0.119 0.000 0.985 473 E CA 1.231 57.609 56.400 -0.037 0.000 0.801 473 E CB -0.287 29.415 29.700 0.003 0.000 0.750 473 E HN 0.426 nan 8.360 nan 0.000 0.452 474 L N 0.989 122.323 121.223 0.184 0.000 2.044 474 L HA -0.074 4.259 4.340 -0.012 0.000 0.205 474 L C 0.223 177.179 176.870 0.143 0.000 1.075 474 L CA 1.744 56.720 54.840 0.227 0.000 0.747 474 L CB 0.308 42.494 42.059 0.212 0.000 0.903 474 L HN -0.082 nan 8.230 nan 0.000 0.435 475 E N -0.243 120.040 120.200 0.139 0.000 3.386 475 E HA 0.182 4.525 4.350 -0.012 0.000 0.236 475 E C -1.998 174.553 176.600 -0.082 0.000 1.227 475 E CA -1.241 55.154 56.400 -0.008 0.000 0.970 475 E CB 0.820 30.508 29.700 -0.021 0.000 1.343 475 E HN 0.207 nan 8.360 nan 0.000 0.397 476 P HA -0.239 nan 4.420 nan 0.000 0.218 476 P C 1.201 178.597 177.300 0.161 0.000 1.149 476 P CA 1.351 64.361 63.100 -0.150 0.000 0.817 476 P CB -0.045 31.443 31.700 -0.353 0.000 0.785 477 H N 0.204 119.376 119.070 0.169 0.000 2.489 477 H HA 0.056 4.605 4.556 -0.012 0.000 0.293 477 H C 1.459 176.871 175.328 0.141 0.000 1.066 477 H CA 0.797 56.931 56.048 0.144 0.000 1.305 477 H CB -0.681 29.137 29.762 0.093 0.000 1.386 477 H HN 0.158 nan 8.280 nan 0.000 0.551 478 K N 0.309 120.592 120.400 -0.196 0.000 2.217 478 K HA 0.019 4.332 4.320 -0.012 0.000 0.202 478 K C -0.137 176.307 176.600 -0.260 0.000 1.051 478 K CA 0.342 56.488 56.287 -0.235 0.000 0.952 478 K CB 0.077 32.298 32.500 -0.464 0.000 0.736 478 K HN 0.115 nan 8.250 nan 0.000 0.453 479 F N 1.715 121.689 119.950 0.041 0.000 2.411 479 F HA 0.190 4.709 4.527 -0.012 0.000 0.350 479 F C 0.473 176.274 175.800 0.002 0.000 1.114 479 F CA -0.225 57.801 58.000 0.044 0.000 1.135 479 F CB 1.019 40.103 39.000 0.140 0.000 1.120 479 F HN -0.116 nan 8.300 nan 0.000 0.495 480 Q N 1.796 121.627 119.800 0.051 0.000 2.528 480 Q HA 0.349 4.682 4.340 -0.012 0.000 0.289 480 Q C -1.178 174.781 176.000 -0.068 0.000 1.091 480 Q CA -1.249 54.535 55.803 -0.032 0.000 0.797 480 Q CB 3.175 31.840 28.738 -0.123 0.000 1.466 480 Q HN 0.618 nan 8.270 nan 0.000 0.436 481 N N 0.753 119.395 118.700 -0.095 0.000 2.314 481 N HA 0.273 5.006 4.740 -0.012 0.000 0.304 481 N C -1.435 173.978 175.510 -0.163 0.000 1.073 481 N CA -0.390 52.600 53.050 -0.100 0.000 0.822 481 N CB 1.003 39.454 38.487 -0.061 0.000 1.280 481 N HN 0.283 nan 8.380 nan 0.000 0.489 482 K N 2.780 123.086 120.400 -0.155 0.000 2.675 482 K HA 0.180 4.493 4.320 -0.012 0.000 0.224 482 K C -0.931 175.685 176.600 0.026 0.000 1.003 482 K CA -0.500 55.679 56.287 -0.181 0.000 1.034 482 K CB 1.268 33.442 32.500 -0.544 0.000 1.218 482 K HN 0.538 nan 8.250 nan 0.000 0.507 483 T N 2.214 116.800 114.554 0.054 0.000 2.908 483 T HA 0.031 4.374 4.350 -0.012 0.000 0.301 483 T C 0.779 175.613 174.700 0.223 0.000 1.019 483 T CA 0.423 62.606 62.100 0.138 0.000 1.152 483 T CB 0.182 69.136 68.868 0.144 0.000 0.966 483 T HN 0.364 nan 8.240 nan 0.000 0.540 484 N N 0.727 119.576 118.700 0.248 0.000 2.267 484 N HA 0.394 5.126 4.740 -0.012 0.000 0.226 484 N C 0.521 176.215 175.510 0.306 0.000 1.314 484 N CA -0.122 53.104 53.050 0.294 0.000 0.887 484 N CB 0.388 38.982 38.487 0.178 0.000 1.120 484 N HN 0.761 nan 8.380 nan 0.000 0.440 485 G N -0.656 108.331 108.800 0.312 0.000 2.687 485 G HA2 0.615 4.568 3.960 -0.012 0.000 0.291 485 G HA3 0.615 4.568 3.960 -0.012 0.000 0.291 485 G C -1.435 173.586 174.900 0.201 0.000 1.420 485 G CA -0.747 44.520 45.100 0.279 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.421 118.256 120.570 0.178 0.000 2.828 486 I HA 0.742 4.905 4.170 -0.012 0.000 0.302 486 I C -0.208 176.059 176.117 0.250 0.000 1.101 486 I CA -0.956 60.440 61.300 0.159 0.000 1.031 486 I CB 2.455 40.430 38.000 -0.042 0.000 1.231 486 I HN 0.499 nan 8.210 nan 0.000 0.427 487 T N 4.196 118.955 114.554 0.340 0.000 2.814 487 T HA 0.359 4.702 4.350 -0.012 0.000 0.297 487 T C -1.446 173.373 174.700 0.197 0.000 0.956 487 T CA -1.580 60.648 62.100 0.214 0.000 1.123 487 T CB 0.738 69.682 68.868 0.127 0.000 0.902 487 T HN 0.632 nan 8.240 nan 0.000 0.528 488 P HA 0.046 nan 4.420 nan 0.000 0.237 488 P C 1.076 178.348 177.300 -0.047 0.000 1.178 488 P CA 0.335 63.472 63.100 0.061 0.000 0.766 488 P CB 0.329 32.045 31.700 0.026 0.000 0.876 489 R N 0.368 120.798 120.500 -0.118 0.000 2.056 489 R HA 0.016 4.349 4.340 -0.012 0.000 0.227 489 R C 2.669 178.858 176.300 -0.185 0.000 1.149 489 R CA 1.495 57.486 56.100 -0.180 0.000 0.937 489 R CB -1.208 28.990 30.300 -0.170 0.000 0.835 489 R HN 0.036 nan 8.270 nan 0.000 0.430 490 R N -0.821 119.513 120.500 -0.276 0.000 2.081 490 R HA -0.130 4.203 4.340 -0.012 0.000 0.235 490 R C 0.981 176.938 176.300 -0.571 0.000 1.131 490 R CA 1.731 57.505 56.100 -0.543 0.000 0.960 490 R CB -0.153 29.626 30.300 -0.869 0.000 0.856 490 R HN 0.301 nan 8.270 nan 0.000 0.436 491 W N -0.513 120.743 121.300 -0.073 0.000 3.330 491 W HA 0.187 4.839 4.660 -0.013 0.000 0.348 491 W C 0.865 177.353 176.519 -0.053 0.000 1.205 491 W CA -0.716 56.584 57.345 -0.075 0.000 1.841 491 W CB 0.481 29.899 29.460 -0.070 0.000 1.084 491 W HN 0.213 nan 8.180 nan 0.000 0.665 492 L N -2.266 119.013 121.223 0.093 0.000 2.681 492 L HA 0.183 4.516 4.340 -0.012 0.000 0.163 492 L C 1.786 178.671 176.870 0.025 0.000 1.188 492 L CA 0.739 55.627 54.840 0.081 0.000 0.944 492 L CB -0.829 41.304 42.059 0.124 0.000 1.835 492 L HN -0.252 nan 8.230 nan 0.000 0.510 493 V N 1.103 121.011 119.914 -0.010 0.000 2.255 493 V HA -0.289 3.824 4.120 -0.012 0.000 0.247 493 V C 2.428 178.495 176.094 -0.046 0.000 1.051 493 V CA 2.532 64.816 62.300 -0.027 0.000 1.018 493 V CB -0.715 31.063 31.823 -0.074 0.000 0.641 493 V HN 0.510 nan 8.190 nan 0.000 0.445 494 L N 0.481 121.647 121.223 -0.095 0.000 2.005 494 L HA -0.196 4.137 4.340 -0.012 0.000 0.207 494 L C 2.500 179.305 176.870 -0.110 0.000 1.072 494 L CA 2.473 57.240 54.840 -0.122 0.000 0.744 494 L CB -0.294 41.642 42.059 -0.205 0.000 0.895 494 L HN 0.665 nan 8.230 nan 0.000 0.433 495 C N -1.809 117.419 119.300 -0.121 0.000 2.563 495 C HA 0.199 4.652 4.460 -0.012 0.000 0.268 495 C C 1.212 176.183 174.990 -0.033 0.000 1.365 495 C CA -0.268 58.696 59.018 -0.089 0.000 1.754 495 C CB -1.026 26.656 27.740 -0.097 0.000 1.932 495 C HN 0.596 nan 8.230 nan 0.000 0.536 496 N N 1.157 119.850 118.700 -0.012 0.000 2.703 496 N HA 0.290 5.023 4.740 -0.012 0.000 0.283 496 N C -1.747 173.773 175.510 0.017 0.000 1.851 496 N CA -1.654 51.401 53.050 0.008 0.000 0.826 496 N CB 0.702 39.203 38.487 0.024 0.000 1.239 496 N HN 0.236 nan 8.380 nan 0.000 0.495 497 P HA -0.063 nan 4.420 nan 0.000 0.216 497 P C 1.417 178.732 177.300 0.025 0.000 1.150 497 P CA 0.981 64.090 63.100 0.016 0.000 0.837 497 P CB 0.172 31.875 31.700 0.005 0.000 0.786 498 G N 0.370 109.180 108.800 0.016 0.000 2.442 498 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.219 498 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.219 498 G C 1.514 176.421 174.900 0.012 0.000 1.141 498 G CA 0.662 45.769 45.100 0.011 0.000 0.763 498 G HN 0.261 nan 8.290 nan 0.000 0.554 499 L N 0.973 122.207 121.223 0.017 0.000 2.131 499 L HA 0.381 4.713 4.340 -0.012 0.000 0.206 499 L C 3.032 179.934 176.870 0.053 0.000 1.087 499 L CA 1.789 56.639 54.840 0.017 0.000 0.767 499 L CB -0.652 41.417 42.059 0.016 0.000 0.917 499 L HN 0.203 nan 8.230 nan 0.000 0.441 500 A N -0.625 122.247 122.820 0.087 0.000 1.940 500 A HA -0.262 4.051 4.320 -0.012 0.000 0.219 500 A C 2.237 179.917 177.584 0.160 0.000 1.176 500 A CA 1.904 54.044 52.037 0.172 0.000 0.631 500 A CB -0.627 18.461 19.000 0.147 0.000 0.814 500 A HN 0.544 nan 8.150 nan 0.000 0.446 501 E N 0.585 120.839 120.200 0.090 0.000 2.028 501 E HA -0.138 4.205 4.350 -0.012 0.000 0.190 501 E C 1.859 178.496 176.600 0.062 0.000 0.984 501 E CA 1.474 57.917 56.400 0.072 0.000 0.800 501 E CB -0.508 29.217 29.700 0.041 0.000 0.758 501 E HN 0.729 nan 8.360 nan 0.000 0.448 502 I N -1.549 119.051 120.570 0.050 0.000 2.454 502 I HA -0.152 4.011 4.170 -0.012 0.000 0.254 502 I C 2.079 178.260 176.117 0.106 0.000 1.156 502 I CA 1.175 62.514 61.300 0.065 0.000 1.433 502 I CB -0.330 37.688 38.000 0.029 0.000 1.082 502 I HN 0.035 nan 8.210 nan 0.000 0.432 503 I N 1.845 122.454 120.570 0.065 0.000 2.286 503 I HA -0.152 4.011 4.170 -0.012 0.000 0.245 503 I C 3.001 179.069 176.117 -0.082 0.000 1.104 503 I CA 1.218 62.484 61.300 -0.058 0.000 1.397 503 I CB -0.451 37.399 38.000 -0.249 0.000 1.072 503 I HN 0.289 nan 8.210 nan 0.000 0.417 504 A N 0.486 123.349 122.820 0.073 0.000 1.933 504 A HA -0.228 4.085 4.320 -0.012 0.000 0.218 504 A C 2.169 179.783 177.584 0.049 0.000 1.175 504 A CA 1.616 53.744 52.037 0.152 0.000 0.628 504 A CB -0.589 18.526 19.000 0.192 0.000 0.814 504 A HN 0.443 nan 8.150 nan 0.000 0.444 505 E N -0.556 119.654 120.200 0.016 0.000 2.118 505 E HA -0.219 4.124 4.350 -0.012 0.000 0.195 505 E C 2.267 178.832 176.600 -0.058 0.000 0.992 505 E CA 1.292 57.687 56.400 -0.008 0.000 0.804 505 E CB -0.126 29.574 29.700 0.000 0.000 0.741 505 E HN 0.514 nan 8.360 nan 0.000 0.458 506 R N 0.236 120.642 120.500 -0.157 0.000 2.090 506 R HA 0.047 4.379 4.340 -0.012 0.000 0.219 506 R C 2.359 178.572 176.300 -0.145 0.000 1.100 506 R CA 0.957 56.887 56.100 -0.283 0.000 0.991 506 R CB -0.236 29.565 30.300 -0.831 0.000 0.893 506 R HN 0.341 nan 8.270 nan 0.000 0.443 507 I N -3.208 117.292 120.570 -0.115 0.000 4.154 507 I HA 0.432 4.595 4.170 -0.012 0.000 0.334 507 I C 0.463 176.615 176.117 0.057 0.000 1.371 507 I CA 0.059 61.343 61.300 -0.025 0.000 1.110 507 I CB 0.887 38.853 38.000 -0.057 0.000 1.085 507 I HN 0.173 nan 8.210 nan 0.000 0.398 508 G N 2.051 110.896 108.800 0.075 0.000 2.725 508 G HA2 -0.226 3.727 3.960 -0.012 0.000 0.220 508 G HA3 -0.226 3.727 3.960 -0.012 0.000 0.220 508 G C -0.024 175.006 174.900 0.217 0.000 1.357 508 G CA 0.212 45.380 45.100 0.113 0.000 0.866 508 G HN 0.433 nan 8.290 nan 0.000 0.548 509 E N -0.389 119.893 120.200 0.136 0.000 2.481 509 E HA 0.077 4.420 4.350 -0.012 0.000 0.198 509 E C 1.907 178.471 176.600 -0.060 0.000 1.027 509 E CA -0.042 56.386 56.400 0.047 0.000 0.900 509 E CB 0.217 29.932 29.700 0.025 0.000 0.993 509 E HN 0.487 nan 8.360 nan 0.000 0.482 510 E N 0.457 120.688 120.200 0.052 0.000 2.204 510 E HA -0.190 4.153 4.350 -0.012 0.000 0.195 510 E C 1.750 178.350 176.600 -0.001 0.000 0.990 510 E CA 0.952 57.372 56.400 0.034 0.000 0.821 510 E CB -0.023 29.719 29.700 0.069 0.000 0.750 510 E HN 0.506 nan 8.360 nan 0.000 0.477 511 Y N -0.874 119.427 120.300 0.002 0.000 2.403 511 Y HA -0.054 4.490 4.550 -0.010 0.000 0.291 511 Y C 1.952 177.824 175.900 -0.046 0.000 1.143 511 Y CA 0.571 58.663 58.100 -0.013 0.000 1.257 511 Y CB -0.792 37.664 38.460 -0.007 0.000 0.984 511 Y HN -0.087 nan 8.280 nan 0.000 0.550 512 I N 0.958 121.051 120.570 -0.795 0.000 2.335 512 I HA -0.249 3.914 4.170 -0.012 0.000 0.251 512 I C 1.759 177.599 176.117 -0.462 0.000 1.129 512 I CA 1.873 62.742 61.300 -0.719 0.000 1.402 512 I CB -0.390 37.096 38.000 -0.856 0.000 1.069 512 I HN 0.470 nan 8.210 nan 0.000 0.424 513 S N -2.066 113.470 115.700 -0.273 0.000 2.650 513 S HA 0.168 4.630 4.470 -0.012 0.000 0.240 513 S C 0.180 174.759 174.600 -0.035 0.000 1.007 513 S CA -0.460 57.666 58.200 -0.122 0.000 0.984 513 S CB 0.297 63.501 63.200 0.008 0.000 0.910 513 S HN 0.292 nan 8.310 nan 0.000 0.509 514 D N 0.688 121.075 120.400 -0.021 0.000 2.823 514 D HA 0.255 4.888 4.640 -0.012 0.000 0.255 514 D C 0.302 176.643 176.300 0.067 0.000 1.257 514 D CA -0.377 53.638 54.000 0.025 0.000 0.803 514 D CB 0.385 41.206 40.800 0.035 0.000 1.384 514 D HN 0.092 nan 8.370 nan 0.000 0.541 515 L N 1.081 122.343 121.223 0.065 0.000 2.362 515 L HA 0.026 4.359 4.340 -0.012 0.000 0.219 515 L C 1.378 178.297 176.870 0.083 0.000 1.134 515 L CA 1.398 56.307 54.840 0.114 0.000 0.807 515 L CB -0.050 42.069 42.059 0.099 0.000 0.927 515 L HN 0.243 nan 8.230 nan 0.000 0.447 516 D N -0.655 119.770 120.400 0.043 0.000 2.265 516 D HA -0.210 4.423 4.640 -0.012 0.000 0.208 516 D C 1.907 178.226 176.300 0.032 0.000 0.977 516 D CA 0.820 54.832 54.000 0.019 0.000 0.871 516 D CB 0.073 40.873 40.800 -0.000 0.000 0.925 516 D HN 0.546 nan 8.370 nan 0.000 0.485 517 Q N -0.113 119.725 119.800 0.063 0.000 2.364 517 Q HA -0.027 4.306 4.340 -0.012 0.000 0.207 517 Q C 2.238 178.253 176.000 0.024 0.000 0.970 517 Q CA 0.228 56.067 55.803 0.061 0.000 0.888 517 Q CB 0.052 28.856 28.738 0.109 0.000 0.951 517 Q HN 0.384 nan 8.270 nan 0.000 0.469 518 L N 0.165 121.396 121.223 0.012 0.000 2.349 518 L HA -0.185 4.148 4.340 -0.012 0.000 0.220 518 L C 2.257 179.118 176.870 -0.015 0.000 1.130 518 L CA 0.826 55.638 54.840 -0.046 0.000 0.791 518 L CB -0.374 41.669 42.059 -0.026 0.000 0.918 518 L HN 0.199 nan 8.230 nan 0.000 0.444 519 R N 0.400 120.903 120.500 0.004 0.000 2.159 519 R HA -0.175 4.158 4.340 -0.012 0.000 0.237 519 R C 2.099 178.403 176.300 0.006 0.000 1.131 519 R CA 1.090 57.194 56.100 0.007 0.000 0.982 519 R CB -0.214 30.088 30.300 0.003 0.000 0.868 519 R HN 0.399 nan 8.270 nan 0.000 0.453 520 K N 0.605 121.009 120.400 0.006 0.000 2.281 520 K HA -0.103 4.210 4.320 -0.012 0.000 0.203 520 K C 1.852 178.493 176.600 0.069 0.000 1.046 520 K CA 0.838 57.139 56.287 0.024 0.000 0.938 520 K CB -0.077 32.443 32.500 0.033 0.000 0.737 520 K HN 0.224 nan 8.250 nan 0.000 0.458 521 L N 0.545 121.787 121.223 0.031 0.000 2.456 521 L HA -0.141 4.192 4.340 -0.012 0.000 0.224 521 L C 1.817 178.739 176.870 0.086 0.000 1.148 521 L CA 0.058 54.922 54.840 0.041 0.000 0.825 521 L CB -0.240 41.797 42.059 -0.037 0.000 0.937 521 L HN 0.130 nan 8.230 nan 0.000 0.450 522 L N 0.040 121.287 121.223 0.041 0.000 2.131 522 L HA -0.175 4.158 4.340 -0.012 0.000 0.210 522 L C 2.669 179.519 176.870 -0.034 0.000 1.092 522 L CA 1.888 56.738 54.840 0.018 0.000 0.759 522 L CB -0.959 41.100 42.059 0.001 0.000 0.903 522 L HN 0.352 nan 8.230 nan 0.000 0.435 523 S N -2.639 112.991 115.700 -0.118 0.000 2.660 523 S HA -0.066 4.397 4.470 -0.012 0.000 0.223 523 S C 1.098 175.392 174.600 -0.509 0.000 0.963 523 S CA 0.209 58.229 58.200 -0.300 0.000 0.932 523 S CB -0.543 62.430 63.200 -0.378 0.000 0.775 523 S HN 0.465 nan 8.310 nan 0.000 0.531 524 Y N -0.702 119.515 120.300 -0.138 0.000 2.557 524 Y HA 0.435 4.983 4.550 -0.004 0.000 0.247 524 Y C 1.852 177.771 175.900 0.032 0.000 1.164 524 Y CA -0.592 57.416 58.100 -0.154 0.000 1.218 524 Y CB 0.221 38.352 38.460 -0.550 0.000 1.210 524 Y HN 0.259 nan 8.280 nan 0.000 0.529 525 V N 0.441 120.434 119.914 0.132 0.000 2.626 525 V HA -0.195 3.918 4.120 -0.012 0.000 0.252 525 V C 0.962 177.122 176.094 0.110 0.000 1.067 525 V CA 2.174 64.559 62.300 0.141 0.000 1.081 525 V CB 0.001 31.871 31.823 0.077 0.000 0.686 525 V HN 0.348 nan 8.190 nan 0.000 0.468 526 D N -0.559 119.884 120.400 0.071 0.000 2.402 526 D HA 0.107 4.739 4.640 -0.012 0.000 0.216 526 D C 0.287 176.631 176.300 0.073 0.000 1.128 526 D CA 0.009 54.041 54.000 0.054 0.000 0.833 526 D CB 0.162 40.971 40.800 0.015 0.000 0.971 526 D HN 0.434 nan 8.370 nan 0.000 0.503 527 D N 1.429 121.908 120.400 0.132 0.000 2.339 527 D HA -0.002 4.631 4.640 -0.012 0.000 0.241 527 D C 1.068 177.475 176.300 0.177 0.000 1.183 527 D CA -0.093 54.007 54.000 0.166 0.000 0.859 527 D CB 1.663 42.627 40.800 0.272 0.000 1.067 527 D HN -0.203 nan 8.370 nan 0.000 0.484 528 E N 2.969 123.238 120.200 0.114 0.000 2.153 528 E HA -0.117 4.226 4.350 -0.012 0.000 0.194 528 E C 1.720 178.373 176.600 0.088 0.000 0.988 528 E CA 1.224 57.675 56.400 0.085 0.000 0.811 528 E CB 0.068 29.800 29.700 0.054 0.000 0.746 528 E HN 0.593 nan 8.360 nan 0.000 0.466 529 A N -0.319 122.569 122.820 0.114 0.000 1.873 529 A HA -0.120 4.193 4.320 -0.012 0.000 0.215 529 A C 2.167 179.831 177.584 0.133 0.000 1.186 529 A CA 1.180 53.280 52.037 0.105 0.000 0.616 529 A CB -0.905 18.160 19.000 0.109 0.000 0.823 529 A HN 0.429 nan 8.150 nan 0.000 0.442 530 F N 0.510 120.478 119.950 0.030 0.000 2.102 530 F HA -0.172 4.349 4.527 -0.011 0.000 0.298 530 F C 2.039 177.846 175.800 0.012 0.000 1.105 530 F CA 1.754 59.759 58.000 0.007 0.000 1.239 530 F CB -0.142 38.875 39.000 0.028 0.000 0.991 530 F HN 0.170 nan 8.300 nan 0.000 0.474 531 I N 0.300 120.896 120.570 0.045 0.000 2.151 531 I HA -0.374 3.789 4.170 -0.012 0.000 0.243 531 I C 2.615 178.676 176.117 -0.094 0.000 1.080 531 I CA 1.854 63.127 61.300 -0.044 0.000 1.339 531 I CB -0.550 37.476 38.000 0.043 0.000 1.039 531 I HN 0.122 nan 8.210 nan 0.000 0.409 532 R N 0.865 121.335 120.500 -0.050 0.000 2.081 532 R HA -0.200 4.133 4.340 -0.012 0.000 0.235 532 R C 1.856 178.101 176.300 -0.091 0.000 1.131 532 R CA 2.008 58.077 56.100 -0.052 0.000 0.960 532 R CB -0.179 30.110 30.300 -0.019 0.000 0.856 532 R HN 0.288 nan 8.270 nan 0.000 0.436 533 D N -0.115 120.208 120.400 -0.129 0.000 2.097 533 D HA -0.118 4.515 4.640 -0.012 0.000 0.197 533 D C 1.994 178.159 176.300 -0.224 0.000 0.984 533 D CA 1.294 55.201 54.000 -0.155 0.000 0.826 533 D CB -0.246 40.472 40.800 -0.138 0.000 0.973 533 D HN 0.082 nan 8.370 nan 0.000 0.460 534 V N 1.573 121.257 119.914 -0.384 0.000 2.252 534 V HA -0.287 3.826 4.120 -0.012 0.000 0.249 534 V C 2.533 178.534 176.094 -0.155 0.000 1.056 534 V CA 2.085 64.183 62.300 -0.336 0.000 1.022 534 V CB -0.891 30.667 31.823 -0.442 0.000 0.641 534 V HN 0.208 nan 8.190 nan 0.000 0.445 535 A N -0.667 122.083 122.820 -0.117 0.000 1.972 535 A HA -0.253 4.060 4.320 -0.012 0.000 0.219 535 A C 2.347 179.894 177.584 -0.063 0.000 1.169 535 A CA 2.100 54.100 52.037 -0.061 0.000 0.635 535 A CB -0.469 18.500 19.000 -0.053 0.000 0.810 535 A HN 0.561 nan 8.150 nan 0.000 0.446 536 K N -0.252 120.105 120.400 -0.072 0.000 2.025 536 K HA -0.068 4.245 4.320 -0.012 0.000 0.207 536 K C 1.803 178.375 176.600 -0.046 0.000 1.049 536 K CA 1.501 57.755 56.287 -0.055 0.000 0.933 536 K CB -0.248 32.221 32.500 -0.052 0.000 0.714 536 K HN 0.212 nan 8.250 nan 0.000 0.438 537 V N 1.818 121.698 119.914 -0.057 0.000 2.343 537 V HA -0.246 3.867 4.120 -0.012 0.000 0.247 537 V C 2.389 178.468 176.094 -0.024 0.000 1.051 537 V CA 1.974 64.251 62.300 -0.039 0.000 1.036 537 V CB -0.470 31.323 31.823 -0.050 0.000 0.654 537 V HN 0.350 nan 8.190 nan 0.000 0.451 538 K N 0.516 120.900 120.400 -0.027 0.000 2.026 538 K HA -0.235 4.078 4.320 -0.012 0.000 0.208 538 K C 2.188 178.764 176.600 -0.040 0.000 1.048 538 K CA 1.926 58.204 56.287 -0.015 0.000 0.929 538 K CB -0.578 31.928 32.500 0.010 0.000 0.713 538 K HN 0.400 nan 8.250 nan 0.000 0.439 539 Q N 1.000 120.769 119.800 -0.052 0.000 2.096 539 Q HA -0.142 4.191 4.340 -0.012 0.000 0.204 539 Q C 1.742 177.723 176.000 -0.030 0.000 0.982 539 Q CA 2.107 57.872 55.803 -0.064 0.000 0.850 539 Q CB -0.140 28.563 28.738 -0.057 0.000 0.901 539 Q HN 0.514 nan 8.270 nan 0.000 0.422 540 E N -0.496 119.697 120.200 -0.011 0.000 2.077 540 E HA -0.177 4.166 4.350 -0.012 0.000 0.193 540 E C 1.804 178.428 176.600 0.040 0.000 0.989 540 E CA 1.041 57.450 56.400 0.014 0.000 0.800 540 E CB -0.112 29.594 29.700 0.009 0.000 0.746 540 E HN 0.424 nan 8.360 nan 0.000 0.452 541 N N 1.014 119.735 118.700 0.035 0.000 2.120 541 N HA -0.147 4.586 4.740 -0.012 0.000 0.188 541 N C 1.550 177.139 175.510 0.131 0.000 1.024 541 N CA 1.107 54.198 53.050 0.069 0.000 0.852 541 N CB -0.129 38.383 38.487 0.041 0.000 1.003 541 N HN 0.136 nan 8.380 nan 0.000 0.424 542 K N 0.568 121.007 120.400 0.065 0.000 2.057 542 K HA 0.017 4.330 4.320 -0.012 0.000 0.206 542 K C 2.149 178.876 176.600 0.212 0.000 1.050 542 K CA 0.648 56.983 56.287 0.079 0.000 0.935 542 K CB -0.178 32.109 32.500 -0.355 0.000 0.715 542 K HN 0.099 nan 8.250 nan 0.000 0.439 543 L N 1.198 122.489 121.223 0.114 0.000 2.017 543 L HA -0.209 4.124 4.340 -0.012 0.000 0.208 543 L C 2.618 179.587 176.870 0.165 0.000 1.073 543 L CA 1.352 56.269 54.840 0.127 0.000 0.745 543 L CB -0.338 41.764 42.059 0.072 0.000 0.894 543 L HN 0.165 nan 8.230 nan 0.000 0.432 544 K N -0.380 120.120 120.400 0.166 0.000 2.057 544 K HA -0.239 4.074 4.320 -0.012 0.000 0.207 544 K C 2.165 178.920 176.600 0.259 0.000 1.049 544 K CA 1.640 58.034 56.287 0.178 0.000 0.931 544 K CB -0.129 32.459 32.500 0.147 0.000 0.714 544 K HN 0.103 nan 8.250 nan 0.000 0.440 545 F N 0.917 120.970 119.950 0.172 0.000 2.206 545 F HA 0.015 4.535 4.527 -0.012 0.000 0.298 545 F C 1.969 177.926 175.800 0.261 0.000 1.090 545 F CA 1.025 59.155 58.000 0.216 0.000 1.323 545 F CB -0.292 38.836 39.000 0.213 0.000 1.028 545 F HN 0.047 nan 8.300 nan 0.000 0.492 546 A N 0.252 123.237 122.820 0.275 0.000 1.933 546 A HA -0.060 4.253 4.320 -0.012 0.000 0.218 546 A C 2.392 180.007 177.584 0.051 0.000 1.175 546 A CA 1.703 53.832 52.037 0.154 0.000 0.628 546 A CB -1.438 17.718 19.000 0.258 0.000 0.814 546 A HN 0.438 nan 8.150 nan 0.000 0.444 547 A N -1.444 121.429 122.820 0.088 0.000 1.898 547 A HA -0.068 4.245 4.320 -0.012 0.000 0.216 547 A C 2.121 179.719 177.584 0.023 0.000 1.181 547 A CA 1.523 53.594 52.037 0.058 0.000 0.620 547 A CB -0.846 18.204 19.000 0.084 0.000 0.819 547 A HN 0.755 nan 8.150 nan 0.000 0.442 548 Y N 0.600 120.848 120.300 -0.087 0.000 2.165 548 Y HA -0.212 4.331 4.550 -0.012 0.000 0.286 548 Y C 1.929 177.738 175.900 -0.151 0.000 1.155 548 Y CA 1.959 59.988 58.100 -0.117 0.000 1.164 548 Y CB -0.288 38.095 38.460 -0.128 0.000 0.978 548 Y HN 0.212 nan 8.280 nan 0.000 0.513 549 L N 0.066 121.136 121.223 -0.255 0.000 2.079 549 L HA -0.224 4.109 4.340 -0.012 0.000 0.210 549 L C 2.370 179.120 176.870 -0.200 0.000 1.081 549 L CA 1.778 56.464 54.840 -0.257 0.000 0.752 549 L CB -0.469 41.422 42.059 -0.281 0.000 0.896 549 L HN 0.380 nan 8.230 nan 0.000 0.433 550 E N -0.391 119.696 120.200 -0.187 0.000 2.051 550 E HA -0.150 4.193 4.350 -0.012 0.000 0.189 550 E C 2.324 178.814 176.600 -0.184 0.000 0.979 550 E CA 0.605 56.890 56.400 -0.192 0.000 0.803 550 E CB 0.034 29.661 29.700 -0.122 0.000 0.761 550 E HN 0.398 nan 8.360 nan 0.000 0.451 551 R N 0.626 121.015 120.500 -0.184 0.000 2.081 551 R HA -0.146 4.187 4.340 -0.012 0.000 0.235 551 R C 1.672 177.804 176.300 -0.279 0.000 1.131 551 R CA 1.251 57.242 56.100 -0.183 0.000 0.960 551 R CB 0.017 30.236 30.300 -0.136 0.000 0.856 551 R HN 0.010 nan 8.270 nan 0.000 0.436 552 E N -2.023 117.899 120.200 -0.464 0.000 2.473 552 E HA 0.061 4.403 4.350 -0.012 0.000 0.204 552 E C -0.041 176.045 176.600 -0.856 0.000 0.994 552 E CA 0.449 56.439 56.400 -0.682 0.000 0.945 552 E CB 0.679 29.802 29.700 -0.962 0.000 0.990 552 E HN 0.305 nan 8.360 nan 0.000 0.493 553 Y N -0.520 119.609 120.300 -0.285 0.000 2.666 553 Y HA 0.254 4.797 4.550 -0.012 0.000 0.260 553 Y C -0.005 175.790 175.900 -0.176 0.000 1.089 553 Y CA -0.623 57.362 58.100 -0.192 0.000 1.246 553 Y CB 0.873 39.225 38.460 -0.179 0.000 1.353 553 Y HN -0.280 nan 8.280 nan 0.000 0.558 554 K N 0.622 120.955 120.400 -0.111 0.000 3.035 554 K HA -0.139 4.174 4.320 -0.012 0.000 0.262 554 K C -0.462 175.965 176.600 -0.288 0.000 1.024 554 K CA 0.896 57.074 56.287 -0.183 0.000 0.748 554 K CB -2.219 30.223 32.500 -0.097 0.000 1.247 554 K HN 0.276 nan 8.250 nan 0.000 0.482 555 V N -2.047 117.695 119.914 -0.287 0.000 2.459 555 V HA 0.521 4.634 4.120 -0.012 0.000 0.295 555 V C 0.177 176.062 176.094 -0.349 0.000 1.029 555 V CA -0.947 61.187 62.300 -0.277 0.000 0.874 555 V CB 1.626 33.376 31.823 -0.121 0.000 0.985 555 V HN 0.267 nan 8.190 nan 0.000 0.438 556 H N 5.267 124.324 119.070 -0.021 0.000 2.519 556 H HA 0.772 5.321 4.556 -0.012 0.000 0.316 556 H C 0.027 175.345 175.328 -0.016 0.000 1.065 556 H CA -0.245 55.796 56.048 -0.012 0.000 1.264 556 H CB 1.459 31.218 29.762 -0.005 0.000 1.413 556 H HN 0.937 nan 8.280 nan 0.000 0.465 557 I N -0.399 120.233 120.570 0.104 0.000 2.689 557 I HA 0.447 4.609 4.170 -0.012 0.000 0.299 557 I C -0.433 175.768 176.117 0.140 0.000 1.059 557 I CA -1.372 59.977 61.300 0.081 0.000 1.055 557 I CB 2.144 40.150 38.000 0.010 0.000 1.243 557 I HN 0.350 nan 8.210 nan 0.000 0.425 558 N N 5.795 124.579 118.700 0.140 0.000 2.405 558 N HA 0.340 5.073 4.740 -0.012 0.000 0.260 558 N C -1.979 173.683 175.510 0.253 0.000 1.152 558 N CA -2.265 50.877 53.050 0.153 0.000 0.948 558 N CB 0.902 39.450 38.487 0.102 0.000 1.111 558 N HN 0.409 nan 8.380 nan 0.000 0.485 559 P HA 0.088 nan 4.420 nan 0.000 0.242 559 P C -0.176 177.113 177.300 -0.017 0.000 1.197 559 P CA 0.741 63.935 63.100 0.157 0.000 0.765 559 P CB 0.244 32.013 31.700 0.115 0.000 0.936 560 N N -1.127 117.598 118.700 0.042 0.000 2.336 560 N HA -0.000 4.732 4.740 -0.012 0.000 0.189 560 N C 0.336 175.882 175.510 0.059 0.000 1.113 560 N CA -0.019 53.043 53.050 0.021 0.000 0.858 560 N CB 0.003 38.511 38.487 0.035 0.000 0.970 560 N HN 0.126 nan 8.380 nan 0.000 0.471 561 S N -0.075 115.676 115.700 0.085 0.000 2.632 561 S HA 0.234 4.697 4.470 -0.012 0.000 0.267 561 S C 0.057 174.637 174.600 -0.034 0.000 1.276 561 S CA -0.949 57.289 58.200 0.064 0.000 0.998 561 S CB 1.048 64.313 63.200 0.110 0.000 0.953 561 S HN 0.188 nan 8.310 nan 0.000 0.547 562 L N 1.982 123.023 121.223 -0.303 0.000 2.418 562 L HA 0.351 4.684 4.340 -0.012 0.000 0.274 562 L C -0.861 175.994 176.870 -0.026 0.000 1.135 562 L CA -0.496 53.975 54.840 -0.615 0.000 0.870 562 L CB -0.230 41.194 42.059 -1.059 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.269 124.088 119.950 -0.218 0.000 2.464 563 F HA 0.088 4.609 4.527 -0.011 0.000 0.353 563 F C 0.461 176.198 175.800 -0.104 0.000 1.191 563 F CA -0.799 57.142 58.000 -0.099 0.000 1.147 563 F CB 0.456 39.444 39.000 -0.020 0.000 1.294 563 F HN 0.524 nan 8.300 nan 0.000 0.583 564 D N 4.799 125.205 120.400 0.011 0.000 2.396 564 D HA 0.245 4.877 4.640 -0.012 0.000 0.225 564 D C -1.071 175.177 176.300 -0.088 0.000 1.121 564 D CA -0.082 53.883 54.000 -0.058 0.000 0.853 564 D CB 1.465 42.217 40.800 -0.081 0.000 1.043 564 D HN 0.265 nan 8.370 nan 0.000 0.500 565 V N 3.217 123.060 119.914 -0.118 0.000 2.656 565 V HA 0.548 4.661 4.120 -0.012 0.000 0.307 565 V C -1.465 174.480 176.094 -0.247 0.000 1.051 565 V CA -0.659 61.550 62.300 -0.152 0.000 0.893 565 V CB 1.852 33.636 31.823 -0.066 0.000 0.999 565 V HN 0.546 nan 8.190 nan 0.000 0.426 566 Q N 4.709 124.381 119.800 -0.212 0.000 2.394 566 Q HA 0.663 4.996 4.340 -0.012 0.000 0.261 566 Q C -1.446 174.395 176.000 -0.266 0.000 1.023 566 Q CA -0.631 55.035 55.803 -0.229 0.000 0.720 566 Q CB 1.849 30.484 28.738 -0.172 0.000 1.241 566 Q HN 1.106 nan 8.270 nan 0.000 0.483 567 V N 1.874 121.617 119.914 -0.286 0.000 2.487 567 V HA 0.869 4.982 4.120 -0.012 0.000 0.298 567 V C -0.895 174.937 176.094 -0.437 0.000 1.028 567 V CA -0.567 61.383 62.300 -0.583 0.000 0.860 567 V CB 1.262 32.501 31.823 -0.974 0.000 0.991 567 V HN 0.816 nan 8.190 nan 0.000 0.427 568 K N 2.561 122.748 120.400 -0.355 0.000 2.960 568 K HA 0.361 4.674 4.320 -0.012 0.000 0.296 568 K C -1.339 175.263 176.600 0.004 0.000 1.092 568 K CA -1.108 55.147 56.287 -0.053 0.000 0.847 568 K CB 0.911 33.365 32.500 -0.076 0.000 1.458 568 K HN 0.482 nan 8.250 nan 0.000 0.359 569 R N 1.098 121.644 120.500 0.077 0.000 2.640 569 R HA 0.144 4.477 4.340 -0.012 0.000 0.270 569 R C 0.373 176.699 176.300 0.044 0.000 1.024 569 R CA -0.297 55.863 56.100 0.099 0.000 1.085 569 R CB -0.170 30.209 30.300 0.131 0.000 0.963 569 R HN 0.464 nan 8.270 nan 0.000 0.426 570 I N 4.644 125.256 120.570 0.070 0.000 2.421 570 I HA 0.066 4.229 4.170 -0.012 0.000 0.291 570 I C 0.834 176.967 176.117 0.026 0.000 1.089 570 I CA 0.588 61.890 61.300 0.003 0.000 1.354 570 I CB -0.652 37.338 38.000 -0.018 0.000 1.413 570 I HN 0.337 nan 8.210 nan 0.000 0.513 571 H N 5.382 124.376 119.070 -0.127 0.000 2.961 571 H HA 0.246 4.795 4.556 -0.012 0.000 0.371 571 H C 0.446 175.673 175.328 -0.169 0.000 1.190 571 H CA -0.396 55.627 56.048 -0.042 0.000 1.138 571 H CB 1.990 31.750 29.762 -0.004 0.000 1.816 571 H HN 0.563 nan 8.280 nan 0.000 0.551 572 E N 1.857 121.932 120.200 -0.209 0.000 2.118 572 E HA -0.249 4.094 4.350 -0.012 0.000 0.195 572 E C 1.379 177.771 176.600 -0.347 0.000 0.992 572 E CA 1.819 58.157 56.400 -0.103 0.000 0.804 572 E CB -0.090 29.701 29.700 0.151 0.000 0.741 572 E HN 0.578 nan 8.360 nan 0.000 0.458 573 Y N 0.816 120.768 120.300 -0.579 0.000 2.352 573 Y HA -0.029 4.514 4.550 -0.012 0.000 0.292 573 Y C 1.502 177.171 175.900 -0.385 0.000 1.136 573 Y CA 0.875 58.358 58.100 -1.029 0.000 1.227 573 Y CB -0.111 37.774 38.460 -0.958 0.000 0.991 573 Y HN -0.213 nan 8.280 nan 0.000 0.545 574 K N 0.799 120.793 120.400 -0.677 0.000 2.432 574 K HA 0.065 4.378 4.320 -0.012 0.000 0.196 574 K C 0.115 176.561 176.600 -0.255 0.000 1.038 574 K CA 0.489 56.477 56.287 -0.498 0.000 0.986 574 K CB -0.056 32.131 32.500 -0.521 0.000 0.782 574 K HN 0.253 nan 8.250 nan 0.000 0.485 575 R N 0.394 120.770 120.500 -0.205 0.000 3.333 575 R HA -0.249 4.084 4.340 -0.012 0.000 0.256 575 R C 0.257 176.486 176.300 -0.119 0.000 1.010 575 R CA 0.239 56.265 56.100 -0.124 0.000 0.680 575 R CB -1.943 28.303 30.300 -0.091 0.000 1.102 575 R HN 0.309 nan 8.270 nan 0.000 0.440 576 Q N 0.386 120.113 119.800 -0.121 0.000 2.248 576 Q HA -0.093 4.240 4.340 -0.012 0.000 0.208 576 Q C 2.033 177.989 176.000 -0.074 0.000 0.984 576 Q CA 1.607 57.352 55.803 -0.096 0.000 0.875 576 Q CB -0.014 28.670 28.738 -0.090 0.000 0.910 576 Q HN 0.597 nan 8.270 nan 0.000 0.433 577 L N -0.667 120.514 121.223 -0.070 0.000 2.141 577 L HA -0.169 4.164 4.340 -0.012 0.000 0.209 577 L C 2.027 178.901 176.870 0.006 0.000 1.094 577 L CA 0.441 55.253 54.840 -0.048 0.000 0.763 577 L CB -0.370 41.667 42.059 -0.036 0.000 0.908 577 L HN 0.295 nan 8.230 nan 0.000 0.437 578 L N 0.151 121.374 121.223 -0.001 0.000 2.046 578 L HA -0.243 4.090 4.340 -0.012 0.000 0.208 578 L C 2.046 178.981 176.870 0.108 0.000 1.077 578 L CA 1.899 56.753 54.840 0.023 0.000 0.747 578 L CB -0.810 41.160 42.059 -0.148 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.700 117.031 118.700 0.052 0.000 2.084 579 N HA -0.238 4.495 4.740 -0.012 0.000 0.190 579 N C 1.947 177.542 175.510 0.142 0.000 1.030 579 N CA 1.667 54.823 53.050 0.176 0.000 0.849 579 N CB -0.140 38.381 38.487 0.057 0.000 1.012 579 N HN 0.490 nan 8.380 nan 0.000 0.423 580 C N 0.534 119.852 119.300 0.029 0.000 2.413 580 C HA -0.086 4.367 4.460 -0.012 0.000 0.276 580 C C 2.572 177.548 174.990 -0.023 0.000 1.248 580 C CA 0.420 59.405 59.018 -0.055 0.000 1.742 580 C CB -1.260 26.394 27.740 -0.143 0.000 2.017 580 C HN 0.502 nan 8.230 nan 0.000 0.481 581 L N -0.472 120.800 121.223 0.081 0.000 2.093 581 L HA -0.175 4.158 4.340 -0.012 0.000 0.208 581 L C 2.769 179.790 176.870 0.252 0.000 1.085 581 L CA 1.684 56.614 54.840 0.151 0.000 0.755 581 L CB -1.010 41.192 42.059 0.239 0.000 0.904 581 L HN 0.580 nan 8.230 nan 0.000 0.435 582 H N -0.016 119.164 119.070 0.184 0.000 2.326 582 H HA -0.138 4.411 4.556 -0.012 0.000 0.301 582 H C 2.266 177.586 175.328 -0.014 0.000 1.081 582 H CA 1.916 57.988 56.048 0.041 0.000 1.334 582 H CB 0.287 29.996 29.762 -0.088 0.000 1.385 582 H HN 0.077 nan 8.280 nan 0.000 0.504 583 V N 1.661 121.482 119.914 -0.156 0.000 2.282 583 V HA -0.297 3.816 4.120 -0.012 0.000 0.249 583 V C 2.844 178.862 176.094 -0.125 0.000 1.057 583 V CA 2.067 64.245 62.300 -0.203 0.000 1.032 583 V CB -0.542 31.213 31.823 -0.112 0.000 0.645 583 V HN 0.399 nan 8.190 nan 0.000 0.447 584 I N -0.366 120.167 120.570 -0.062 0.000 2.315 584 I HA -0.212 3.950 4.170 -0.012 0.000 0.248 584 I C 2.474 178.634 176.117 0.071 0.000 1.117 584 I CA 1.680 63.008 61.300 0.046 0.000 1.404 584 I CB -0.688 37.314 38.000 0.002 0.000 1.071 584 I HN 0.328 nan 8.210 nan 0.000 0.419 585 T N 1.226 115.783 114.554 0.005 0.000 2.708 585 T HA -0.146 4.196 4.350 -0.012 0.000 0.266 585 T C 1.876 176.527 174.700 -0.080 0.000 1.037 585 T CA 1.209 63.307 62.100 -0.003 0.000 1.146 585 T CB -0.239 68.659 68.868 0.050 0.000 0.865 585 T HN 0.076 nan 8.240 nan 0.000 0.435 586 L N 0.126 121.234 121.223 -0.191 0.000 2.046 586 L HA -0.019 4.314 4.340 -0.012 0.000 0.208 586 L C 2.102 178.931 176.870 -0.068 0.000 1.077 586 L CA 1.561 56.288 54.840 -0.189 0.000 0.747 586 L CB -1.096 40.777 42.059 -0.309 0.000 0.896 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.238 120.472 120.300 -0.109 0.000 2.181 587 Y HA -0.273 4.270 4.550 -0.012 0.000 0.288 587 Y C 2.423 178.300 175.900 -0.038 0.000 1.146 587 Y CA 1.774 59.847 58.100 -0.043 0.000 1.164 587 Y CB -0.081 38.397 38.460 0.030 0.000 0.982 587 Y HN 0.277 nan 8.280 nan 0.000 0.515 588 N N 0.457 119.102 118.700 -0.092 0.000 2.166 588 N HA -0.137 4.596 4.740 -0.012 0.000 0.186 588 N C 1.823 177.222 175.510 -0.185 0.000 1.019 588 N CA 1.430 54.370 53.050 -0.184 0.000 0.856 588 N CB -0.351 38.088 38.487 -0.081 0.000 0.993 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.349 120.766 120.500 -0.138 0.000 2.092 589 R HA 0.093 4.426 4.340 -0.012 0.000 0.231 589 R C 2.204 178.420 176.300 -0.140 0.000 1.119 589 R CA 0.695 56.722 56.100 -0.121 0.000 0.970 589 R CB -0.193 30.047 30.300 -0.101 0.000 0.864 589 R HN 0.225 nan 8.270 nan 0.000 0.440 590 I N 0.898 121.365 120.570 -0.172 0.000 2.202 590 I HA -0.265 3.898 4.170 -0.012 0.000 0.242 590 I C 2.072 178.070 176.117 -0.198 0.000 1.091 590 I CA 1.176 62.373 61.300 -0.170 0.000 1.368 590 I CB -0.156 37.749 38.000 -0.159 0.000 1.058 590 I HN -0.005 nan 8.210 nan 0.000 0.410 591 K N 0.844 121.057 120.400 -0.311 0.000 2.209 591 K HA -0.203 4.110 4.320 -0.012 0.000 0.204 591 K C 1.999 178.498 176.600 -0.169 0.000 1.048 591 K CA 1.218 57.334 56.287 -0.284 0.000 0.940 591 K CB -0.285 31.960 32.500 -0.426 0.000 0.729 591 K HN 0.334 nan 8.250 nan 0.000 0.451 592 K N 1.011 121.321 120.400 -0.150 0.000 2.076 592 K HA -0.055 4.257 4.320 -0.012 0.000 0.204 592 K C 0.095 176.648 176.600 -0.077 0.000 1.051 592 K CA 0.973 57.199 56.287 -0.101 0.000 0.949 592 K CB 0.376 32.820 32.500 -0.092 0.000 0.726 592 K HN 0.033 nan 8.250 nan 0.000 0.443 593 E N 0.273 120.426 120.200 -0.079 0.000 3.303 593 E HA 0.120 4.463 4.350 -0.012 0.000 0.215 593 E C -2.314 174.252 176.600 -0.057 0.000 1.181 593 E CA -1.630 54.736 56.400 -0.056 0.000 0.998 593 E CB 1.686 31.360 29.700 -0.045 0.000 1.312 593 E HN 0.148 nan 8.360 nan 0.000 0.412 594 P HA -0.118 nan 4.420 nan 0.000 0.218 594 P C 0.261 177.542 177.300 -0.030 0.000 1.149 594 P CA 1.144 64.212 63.100 -0.053 0.000 0.817 594 P CB 0.220 31.892 31.700 -0.046 0.000 0.785 595 N N -1.165 117.526 118.700 -0.015 0.000 2.276 595 N HA 0.016 4.748 4.740 -0.012 0.000 0.212 595 N C 0.504 176.029 175.510 0.025 0.000 1.127 595 N CA -0.092 52.962 53.050 0.006 0.000 0.834 595 N CB 0.091 38.581 38.487 0.005 0.000 1.014 595 N HN 0.007 nan 8.380 nan 0.000 0.491 596 K N 1.153 121.562 120.400 0.016 0.000 2.130 596 K HA 0.151 4.464 4.320 -0.012 0.000 0.268 596 K C -0.990 175.650 176.600 0.066 0.000 0.983 596 K CA -0.576 55.736 56.287 0.042 0.000 0.893 596 K CB 0.725 33.231 32.500 0.010 0.000 1.066 596 K HN -0.064 nan 8.250 nan 0.000 0.450 597 F N 4.638 124.574 119.950 -0.022 0.000 2.456 597 F HA 0.213 4.733 4.527 -0.012 0.000 0.358 597 F C -0.420 175.366 175.800 -0.024 0.000 1.095 597 F CA -0.176 57.812 58.000 -0.020 0.000 1.216 597 F CB 0.623 39.613 39.000 -0.015 0.000 1.125 597 F HN 0.181 nan 8.300 nan 0.000 0.549 598 V N 4.480 123.856 119.914 -0.896 0.000 2.789 598 V HA 0.528 4.641 4.120 -0.012 0.000 0.311 598 V C -0.651 174.821 176.094 -1.037 0.000 1.073 598 V CA -1.208 60.657 62.300 -0.726 0.000 0.921 598 V CB 0.955 32.564 31.823 -0.356 0.000 1.009 598 V HN 0.580 nan 8.190 nan 0.000 0.426 599 V N 5.471 125.026 119.914 -0.599 0.000 2.509 599 V HA 0.163 4.275 4.120 -0.012 0.000 0.297 599 V C -1.786 174.142 176.094 -0.277 0.000 1.014 599 V CA -0.270 61.834 62.300 -0.326 0.000 1.127 599 V CB 0.335 32.105 31.823 -0.088 0.000 0.925 599 V HN 0.908 nan 8.190 nan 0.000 0.480 600 P HA 0.360 nan 4.420 nan 0.000 0.271 600 P C -0.446 176.773 177.300 -0.135 0.000 1.216 600 P CA -0.138 62.876 63.100 -0.142 0.000 0.776 600 P CB 0.571 32.235 31.700 -0.060 0.000 0.881 601 R N 1.035 121.466 120.500 -0.115 0.000 2.686 601 R HA 0.540 4.873 4.340 -0.012 0.000 0.283 601 R C -0.715 175.551 176.300 -0.056 0.000 0.978 601 R CA -0.605 55.431 56.100 -0.108 0.000 0.897 601 R CB 1.909 32.129 30.300 -0.133 0.000 1.192 601 R HN 0.315 nan 8.270 nan 0.000 0.457 602 T N 2.253 116.792 114.554 -0.025 0.000 2.770 602 T HA 0.237 4.580 4.350 -0.012 0.000 0.297 602 T C -0.267 174.351 174.700 -0.136 0.000 0.997 602 T CA -0.483 61.557 62.100 -0.100 0.000 0.949 602 T CB 1.120 69.860 68.868 -0.214 0.000 0.941 602 T HN 0.129 nan 8.240 nan 0.000 0.457 603 V N 5.997 125.840 119.914 -0.120 0.000 2.348 603 V HA 0.384 4.497 4.120 -0.012 0.000 0.270 603 V C 0.073 176.092 176.094 -0.125 0.000 1.037 603 V CA -0.417 61.818 62.300 -0.108 0.000 0.872 603 V CB 0.488 32.263 31.823 -0.080 0.000 1.002 603 V HN 0.864 nan 8.190 nan 0.000 0.464 604 M N 6.776 126.290 119.600 -0.144 0.000 2.227 604 M HA 0.617 5.090 4.480 -0.012 0.000 0.335 604 M C -0.947 175.248 176.300 -0.175 0.000 1.053 604 M CA -0.137 55.068 55.300 -0.158 0.000 0.973 604 M CB 1.855 34.356 32.600 -0.164 0.000 1.623 604 M HN 0.407 nan 8.290 nan 0.000 0.434 605 I N 1.839 122.288 120.570 -0.202 0.000 2.498 605 I HA 0.848 5.011 4.170 -0.012 0.000 0.290 605 I C 0.092 175.888 176.117 -0.535 0.000 1.032 605 I CA -0.615 60.538 61.300 -0.245 0.000 1.073 605 I CB 2.332 40.279 38.000 -0.089 0.000 1.251 605 I HN 0.807 nan 8.210 nan 0.000 0.426 606 G N 2.869 111.319 108.800 -0.583 0.000 2.690 606 G HA2 0.836 4.789 3.960 -0.012 0.000 0.293 606 G HA3 0.836 4.789 3.960 -0.012 0.000 0.293 606 G C -1.050 173.572 174.900 -0.464 0.000 1.399 606 G CA -0.739 43.865 45.100 -0.827 0.000 0.890 606 G HN 0.995 nan 8.290 nan 0.000 0.485 607 G N -0.446 108.231 108.800 -0.204 0.000 2.352 607 G HA2 0.399 4.352 3.960 -0.012 0.000 0.303 607 G HA3 0.399 4.352 3.960 -0.012 0.000 0.303 607 G C -1.256 173.790 174.900 0.244 0.000 1.593 607 G CA -1.042 44.111 45.100 0.088 0.000 0.963 607 G HN 0.597 nan 8.290 nan 0.000 0.685 608 K N 0.009 120.547 120.400 0.230 0.000 2.118 608 K HA 0.723 5.036 4.320 -0.012 0.000 0.267 608 K C 0.395 177.150 176.600 0.260 0.000 0.991 608 K CA -0.074 56.371 56.287 0.263 0.000 0.916 608 K CB 1.892 34.457 32.500 0.109 0.000 1.041 608 K HN 0.864 nan 8.250 nan 0.000 0.455 609 A N 1.552 124.550 122.820 0.298 0.000 2.312 609 A HA 0.621 4.934 4.320 -0.012 0.000 0.326 609 A C -0.393 177.384 177.584 0.321 0.000 1.172 609 A CA -0.716 51.447 52.037 0.211 0.000 0.821 609 A CB 0.934 19.974 19.000 0.066 0.000 1.166 609 A HN 0.782 nan 8.150 nan 0.000 0.493 610 A N 3.326 126.328 122.820 0.303 0.000 2.511 610 A HA 0.466 4.779 4.320 -0.012 0.000 0.242 610 A C -1.449 176.227 177.584 0.152 0.000 1.069 610 A CA -0.794 51.409 52.037 0.276 0.000 0.763 610 A CB -0.345 18.797 19.000 0.237 0.000 1.001 610 A HN 0.591 nan 8.150 nan 0.000 0.498 611 P HA -0.101 nan 4.420 nan 0.000 0.218 611 P C 1.233 178.523 177.300 -0.017 0.000 1.148 611 P CA 1.864 64.908 63.100 -0.094 0.000 0.822 611 P CB 0.217 31.799 31.700 -0.197 0.000 0.784 612 G N -2.777 106.034 108.800 0.019 0.000 3.284 612 G HA2 -0.053 3.900 3.960 -0.012 0.000 0.236 612 G HA3 -0.053 3.900 3.960 -0.012 0.000 0.236 612 G C -0.357 174.588 174.900 0.075 0.000 1.158 612 G CA -0.091 45.024 45.100 0.025 0.000 0.774 612 G HN 0.306 nan 8.290 nan 0.000 0.545 613 Y N 1.451 121.715 120.300 -0.061 0.000 2.676 613 Y HA 0.220 4.763 4.550 -0.012 0.000 0.338 613 Y C 1.551 177.454 175.900 0.005 0.000 1.057 613 Y CA -1.119 56.937 58.100 -0.073 0.000 1.314 613 Y CB 0.195 38.587 38.460 -0.112 0.000 1.164 613 Y HN 0.313 nan 8.280 nan 0.000 0.509 614 H N 4.194 123.386 119.070 0.203 0.000 2.319 614 H HA -0.228 4.321 4.556 -0.012 0.000 0.297 614 H C 1.751 177.107 175.328 0.046 0.000 1.097 614 H CA 2.429 58.537 56.048 0.100 0.000 1.285 614 H CB 0.379 30.196 29.762 0.092 0.000 1.368 614 H HN 0.731 nan 8.280 nan 0.000 0.495 615 M N 0.983 120.581 119.600 -0.003 0.000 2.117 615 M HA -0.069 4.404 4.480 -0.012 0.000 0.262 615 M C 2.579 178.635 176.300 -0.407 0.000 1.065 615 M CA 1.859 57.062 55.300 -0.162 0.000 1.114 615 M CB -0.703 31.929 32.600 0.054 0.000 1.361 615 M HN 0.332 nan 8.290 nan 0.000 0.408 616 A N -0.328 121.995 122.820 -0.829 0.000 1.933 616 A HA -0.204 4.109 4.320 -0.012 0.000 0.218 616 A C 2.206 179.585 177.584 -0.343 0.000 1.175 616 A CA 1.934 53.526 52.037 -0.742 0.000 0.628 616 A CB -0.676 17.681 19.000 -1.072 0.000 0.814 616 A HN 0.591 nan 8.150 nan 0.000 0.444 617 K N -1.226 119.027 120.400 -0.246 0.000 2.148 617 K HA -0.036 4.277 4.320 -0.012 0.000 0.204 617 K C 1.950 178.502 176.600 -0.081 0.000 1.050 617 K CA 1.198 57.429 56.287 -0.093 0.000 0.942 617 K CB -0.206 32.302 32.500 0.013 0.000 0.724 617 K HN 0.344 nan 8.250 nan 0.000 0.446 618 M N 0.553 120.061 119.600 -0.152 0.000 2.175 618 M HA -0.088 4.385 4.480 -0.012 0.000 0.264 618 M C 2.107 178.342 176.300 -0.108 0.000 1.063 618 M CA 1.425 56.674 55.300 -0.085 0.000 1.119 618 M CB -0.635 31.896 32.600 -0.115 0.000 1.377 618 M HN 0.118 nan 8.290 nan 0.000 0.415 619 I N -0.236 120.230 120.570 -0.173 0.000 2.226 619 I HA -0.299 3.864 4.170 -0.012 0.000 0.245 619 I C 2.304 178.284 176.117 -0.228 0.000 1.100 619 I CA 1.029 62.214 61.300 -0.192 0.000 1.374 619 I CB -0.350 37.540 38.000 -0.184 0.000 1.057 619 I HN 0.166 nan 8.210 nan 0.000 0.413 620 I N 0.733 121.146 120.570 -0.261 0.000 2.163 620 I HA -0.330 3.833 4.170 -0.012 0.000 0.243 620 I C 2.636 178.456 176.117 -0.496 0.000 1.085 620 I CA 1.378 62.411 61.300 -0.446 0.000 1.347 620 I CB -0.327 37.383 38.000 -0.483 0.000 1.044 620 I HN 0.169 nan 8.210 nan 0.000 0.408 621 K N 1.496 121.631 120.400 -0.442 0.000 2.063 621 K HA -0.172 4.141 4.320 -0.012 0.000 0.208 621 K C 2.048 178.484 176.600 -0.273 0.000 1.048 621 K CA 1.565 57.528 56.287 -0.540 0.000 0.928 621 K CB -0.647 31.302 32.500 -0.919 0.000 0.713 621 K HN 0.240 nan 8.250 nan 0.000 0.442 622 L N 0.371 121.457 121.223 -0.229 0.000 2.012 622 L HA -0.198 4.135 4.340 -0.012 0.000 0.210 622 L C 2.222 178.857 176.870 -0.392 0.000 1.073 622 L CA 1.807 56.349 54.840 -0.498 0.000 0.748 622 L CB -0.304 41.373 42.059 -0.636 0.000 0.891 622 L HN 0.279 nan 8.230 nan 0.000 0.431 623 I N -0.240 120.151 120.570 -0.299 0.000 2.163 623 I HA -0.343 3.820 4.170 -0.012 0.000 0.243 623 I C 2.655 178.670 176.117 -0.169 0.000 1.085 623 I CA 1.957 63.136 61.300 -0.200 0.000 1.347 623 I CB -0.653 37.309 38.000 -0.063 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -0.703 113.724 114.554 -0.213 0.000 2.788 624 T HA -0.113 4.230 4.350 -0.012 0.000 0.268 624 T C 1.982 176.622 174.700 -0.100 0.000 1.044 624 T CA 1.025 63.032 62.100 -0.155 0.000 1.139 624 T CB -0.526 68.204 68.868 -0.229 0.000 0.867 624 T HN 0.348 nan 8.240 nan 0.000 0.454 625 A N 1.456 124.215 122.820 -0.103 0.000 1.930 625 A HA 0.140 4.453 4.320 -0.012 0.000 0.217 625 A C 2.382 179.997 177.584 0.052 0.000 1.175 625 A CA 1.302 53.350 52.037 0.019 0.000 0.627 625 A CB -0.820 18.286 19.000 0.177 0.000 0.815 625 A HN 0.591 nan 8.150 nan 0.000 0.443 626 I N -0.233 120.265 120.570 -0.119 0.000 2.179 626 I HA -0.216 3.947 4.170 -0.012 0.000 0.242 626 I C 2.755 178.845 176.117 -0.046 0.000 1.088 626 I CA 1.176 62.391 61.300 -0.143 0.000 1.357 626 I CB -0.712 37.075 38.000 -0.355 0.000 1.051 626 I HN 0.387 nan 8.210 nan 0.000 0.409 627 G N 0.580 109.344 108.800 -0.061 0.000 2.513 627 G HA2 -0.311 3.642 3.960 -0.012 0.000 0.219 627 G HA3 -0.311 3.642 3.960 -0.012 0.000 0.219 627 G C 1.276 176.187 174.900 0.019 0.000 1.160 627 G CA 1.309 46.386 45.100 -0.038 0.000 0.767 627 G HN 0.298 nan 8.290 nan 0.000 0.571 628 D N -0.104 120.340 120.400 0.073 0.000 2.158 628 D HA -0.094 4.539 4.640 -0.012 0.000 0.197 628 D C 2.692 179.104 176.300 0.186 0.000 0.995 628 D CA 0.877 54.977 54.000 0.166 0.000 0.846 628 D CB -0.255 40.592 40.800 0.079 0.000 0.941 628 D HN 0.266 nan 8.370 nan 0.000 0.456 629 V N 0.034 119.997 119.914 0.083 0.000 2.379 629 V HA -0.120 3.993 4.120 -0.012 0.000 0.243 629 V C 2.561 178.612 176.094 -0.072 0.000 1.035 629 V CA 0.705 62.999 62.300 -0.011 0.000 1.035 629 V CB -0.160 31.627 31.823 -0.060 0.000 0.673 629 V HN 0.027 nan 8.190 nan 0.000 0.457 630 V N 0.899 120.719 119.914 -0.157 0.000 2.358 630 V HA -0.171 3.942 4.120 -0.012 0.000 0.246 630 V C 2.122 178.181 176.094 -0.057 0.000 1.047 630 V CA 1.893 64.080 62.300 -0.188 0.000 1.035 630 V CB -0.805 30.904 31.823 -0.190 0.000 0.658 630 V HN 0.561 nan 8.190 nan 0.000 0.452 631 N N -0.328 118.298 118.700 -0.124 0.000 2.512 631 N HA -0.082 4.651 4.740 -0.012 0.000 0.183 631 N C 1.191 176.463 175.510 -0.396 0.000 1.073 631 N CA 0.894 53.785 53.050 -0.265 0.000 0.911 631 N CB -0.244 38.019 38.487 -0.374 0.000 0.964 631 N HN 0.677 nan 8.380 nan 0.000 0.447 632 H N -1.520 117.558 119.070 0.014 0.000 2.784 632 H HA 0.199 4.748 4.556 -0.012 0.000 0.273 632 H C -0.491 174.856 175.328 0.032 0.000 1.112 632 H CA -0.480 55.578 56.048 0.017 0.000 1.162 632 H CB 0.674 30.436 29.762 0.001 0.000 1.586 632 H HN -0.019 nan 8.280 nan 0.000 0.548 633 D N 1.660 122.141 120.400 0.135 0.000 2.316 633 D HA 0.038 4.671 4.640 -0.012 0.000 0.245 633 D C -1.631 174.730 176.300 0.102 0.000 1.171 633 D CA -2.028 52.062 54.000 0.151 0.000 0.856 633 D CB 1.708 42.676 40.800 0.280 0.000 1.090 633 D HN 0.104 nan 8.370 nan 0.000 0.476 634 P HA -0.109 nan 4.420 nan 0.000 0.218 634 P C 1.584 178.906 177.300 0.036 0.000 1.149 634 P CA 0.351 63.480 63.100 0.047 0.000 0.817 634 P CB 0.414 32.136 31.700 0.037 0.000 0.785 635 V N -0.486 119.451 119.914 0.038 0.000 2.407 635 V HA -0.180 3.933 4.120 -0.012 0.000 0.248 635 V C 2.441 178.541 176.094 0.010 0.000 1.055 635 V CA 1.592 63.900 62.300 0.014 0.000 1.049 635 V CB -1.097 30.724 31.823 -0.004 0.000 0.662 635 V HN -0.017 nan 8.190 nan 0.000 0.455 636 V N -0.166 119.772 119.914 0.040 0.000 2.358 636 V HA 0.092 4.205 4.120 -0.012 0.000 0.246 636 V C 1.834 177.938 176.094 0.015 0.000 1.047 636 V CA 1.558 63.881 62.300 0.039 0.000 1.035 636 V CB -1.318 30.575 31.823 0.117 0.000 0.658 636 V HN 0.741 nan 8.190 nan 0.000 0.452 637 G N 1.632 110.444 108.800 0.020 0.000 2.556 637 G HA2 -0.367 3.586 3.960 -0.012 0.000 0.283 637 G HA3 -0.367 3.586 3.960 -0.012 0.000 0.283 637 G C 0.230 175.131 174.900 0.001 0.000 1.177 637 G CA 0.465 45.570 45.100 0.008 0.000 0.978 637 G HN 0.705 nan 8.290 nan 0.000 0.554 638 D N 0.273 120.672 120.400 -0.001 0.000 2.427 638 D HA 0.232 4.865 4.640 -0.012 0.000 0.224 638 D C 1.733 178.027 176.300 -0.011 0.000 1.157 638 D CA -0.008 53.992 54.000 -0.000 0.000 0.828 638 D CB -0.049 40.759 40.800 0.013 0.000 0.974 638 D HN 0.595 nan 8.370 nan 0.000 0.498 639 R N -0.668 119.815 120.500 -0.027 0.000 2.200 639 R HA 0.236 4.569 4.340 -0.012 0.000 0.208 639 R C -0.116 176.143 176.300 -0.068 0.000 1.033 639 R CA 0.191 56.252 56.100 -0.064 0.000 1.000 639 R CB 0.343 30.588 30.300 -0.093 0.000 0.906 639 R HN 0.118 nan 8.270 nan 0.000 0.462 640 L N 0.576 121.776 121.223 -0.039 0.000 2.543 640 L HA 0.380 4.713 4.340 -0.012 0.000 0.265 640 L C -1.627 175.222 176.870 -0.036 0.000 0.945 640 L CA -0.476 54.340 54.840 -0.041 0.000 0.869 640 L CB 1.788 43.835 42.059 -0.021 0.000 1.294 640 L HN -0.189 nan 8.230 nan 0.000 0.405 641 R N 3.789 124.256 120.500 -0.055 0.000 2.628 641 R HA 0.785 5.118 4.340 -0.012 0.000 0.288 641 R C -1.657 174.593 176.300 -0.082 0.000 0.980 641 R CA -0.796 55.263 56.100 -0.069 0.000 0.891 641 R CB 2.460 32.721 30.300 -0.065 0.000 1.188 641 R HN 0.406 nan 8.270 nan 0.000 0.450 642 V N 4.899 124.763 119.914 -0.084 0.000 2.376 642 V HA 0.469 4.582 4.120 -0.012 0.000 0.287 642 V C -0.392 175.664 176.094 -0.064 0.000 1.015 642 V CA -0.692 61.560 62.300 -0.079 0.000 0.834 642 V CB 1.586 33.360 31.823 -0.082 0.000 1.001 642 V HN 0.535 nan 8.190 nan 0.000 0.428 643 I N 4.977 125.507 120.570 -0.067 0.000 2.436 643 I HA 0.425 4.588 4.170 -0.012 0.000 0.289 643 I C -0.582 175.522 176.117 -0.021 0.000 1.010 643 I CA -0.330 60.940 61.300 -0.050 0.000 1.098 643 I CB 1.833 39.777 38.000 -0.093 0.000 1.266 643 I HN 0.538 nan 8.210 nan 0.000 0.434 644 F N 7.160 127.045 119.950 -0.108 0.000 2.404 644 F HA 0.436 4.956 4.527 -0.011 0.000 0.358 644 F C -0.423 175.312 175.800 -0.109 0.000 1.120 644 F CA -0.617 57.321 58.000 -0.103 0.000 1.144 644 F CB 0.543 39.486 39.000 -0.095 0.000 1.133 644 F HN 0.172 nan 8.300 nan 0.000 0.495 645 L N 6.072 126.922 121.223 -0.620 0.000 2.385 645 L HA 0.136 4.469 4.340 -0.012 0.000 0.281 645 L C 0.269 176.875 176.870 -0.439 0.000 1.106 645 L CA 0.191 54.772 54.840 -0.432 0.000 0.856 645 L CB 0.105 41.988 42.059 -0.293 0.000 1.186 645 L HN 0.604 nan 8.230 nan 0.000 0.453 646 E N 3.274 123.351 120.200 -0.205 0.000 2.373 646 E HA 0.015 4.358 4.350 -0.012 0.000 0.267 646 E C 0.498 177.153 176.600 0.092 0.000 1.032 646 E CA -0.161 56.260 56.400 0.036 0.000 0.889 646 E CB 0.296 30.015 29.700 0.032 0.000 0.984 646 E HN 0.532 nan 8.360 nan 0.000 0.425 647 N N 2.627 121.441 118.700 0.191 0.000 2.738 647 N HA -0.279 4.454 4.740 -0.012 0.000 0.249 647 N C -1.571 174.035 175.510 0.160 0.000 1.047 647 N CA 0.476 53.638 53.050 0.186 0.000 0.707 647 N CB -1.548 37.065 38.487 0.209 0.000 0.937 647 N HN 0.476 nan 8.380 nan 0.000 0.545 648 Y N 1.624 121.934 120.300 0.016 0.000 2.717 648 Y HA 0.204 4.747 4.550 -0.012 0.000 0.330 648 Y C 1.124 177.047 175.900 0.039 0.000 1.217 648 Y CA 0.702 58.801 58.100 -0.002 0.000 1.506 648 Y CB 0.341 38.766 38.460 -0.059 0.000 1.268 648 Y HN 0.387 nan 8.280 nan 0.000 0.561 649 R N 2.470 122.617 120.500 -0.589 0.000 2.741 649 R HA 0.389 4.722 4.340 -0.012 0.000 0.274 649 R C -0.675 175.317 176.300 -0.514 0.000 1.029 649 R CA -0.572 55.297 56.100 -0.385 0.000 0.880 649 R CB 0.282 30.549 30.300 -0.054 0.000 1.264 649 R HN 0.377 nan 8.270 nan 0.000 0.465 650 V N 1.166 120.805 119.914 -0.459 0.000 2.287 650 V HA -0.295 3.818 4.120 -0.012 0.000 0.248 650 V C 2.611 178.582 176.094 -0.205 0.000 1.053 650 V CA 2.869 64.946 62.300 -0.371 0.000 1.027 650 V CB -0.838 30.703 31.823 -0.469 0.000 0.646 650 V HN 0.921 nan 8.190 nan 0.000 0.447 651 S N 0.220 115.826 115.700 -0.157 0.000 2.383 651 S HA -0.219 4.244 4.470 -0.012 0.000 0.229 651 S C 1.954 176.508 174.600 -0.076 0.000 1.030 651 S CA 1.819 59.955 58.200 -0.107 0.000 1.002 651 S CB -0.642 62.526 63.200 -0.054 0.000 0.829 651 S HN 0.393 nan 8.310 nan 0.000 0.467 652 L N 2.028 123.221 121.223 -0.051 0.000 2.093 652 L HA 0.256 4.589 4.340 -0.012 0.000 0.208 652 L C 2.712 179.612 176.870 0.051 0.000 1.085 652 L CA 1.431 56.287 54.840 0.028 0.000 0.755 652 L CB -1.256 40.879 42.059 0.127 0.000 0.904 652 L HN 0.368 nan 8.230 nan 0.000 0.435 653 A N -0.680 122.147 122.820 0.011 0.000 1.908 653 A HA -0.251 4.062 4.320 -0.012 0.000 0.218 653 A C 2.138 179.795 177.584 0.123 0.000 1.181 653 A CA 1.919 54.039 52.037 0.139 0.000 0.627 653 A CB -0.635 18.441 19.000 0.127 0.000 0.818 653 A HN 0.601 nan 8.150 nan 0.000 0.445 654 E N -0.525 119.714 120.200 0.064 0.000 2.338 654 E HA -0.150 4.193 4.350 -0.012 0.000 0.197 654 E C 1.872 178.441 176.600 -0.051 0.000 1.007 654 E CA 1.137 57.526 56.400 -0.018 0.000 0.849 654 E CB -0.039 29.552 29.700 -0.182 0.000 0.774 654 E HN 0.633 nan 8.360 nan 0.000 0.506 655 K N -0.010 120.350 120.400 -0.067 0.000 2.141 655 K HA 0.028 4.341 4.320 -0.012 0.000 0.202 655 K C 2.128 178.577 176.600 -0.251 0.000 1.045 655 K CA 0.411 56.651 56.287 -0.078 0.000 0.971 655 K CB 0.031 32.492 32.500 -0.066 0.000 0.795 655 K HN -0.058 nan 8.250 nan 0.000 0.459 656 V N 1.814 121.498 119.914 -0.384 0.000 2.488 656 V HA -0.122 3.991 4.120 -0.012 0.000 0.246 656 V C 1.877 177.739 176.094 -0.386 0.000 1.046 656 V CA 1.213 63.053 62.300 -0.766 0.000 1.053 656 V CB -0.152 31.340 31.823 -0.552 0.000 0.679 656 V HN 0.242 nan 8.190 nan 0.000 0.458 657 I N 0.769 121.172 120.570 -0.277 0.000 2.179 657 I HA -0.136 4.027 4.170 -0.012 0.000 0.242 657 I C -0.227 175.787 176.117 -0.173 0.000 1.088 657 I CA 1.659 62.733 61.300 -0.378 0.000 1.357 657 I CB -1.571 36.067 38.000 -0.602 0.000 1.051 657 I HN 0.365 nan 8.210 nan 0.000 0.409 658 P HA -0.126 nan 4.420 nan 0.000 0.222 658 P C 0.972 178.272 177.300 0.000 0.000 1.147 658 P CA 1.279 64.361 63.100 -0.031 0.000 0.790 658 P CB 0.011 31.700 31.700 -0.018 0.000 0.780 659 A N -1.189 121.615 122.820 -0.027 0.000 2.275 659 A HA 0.460 4.773 4.320 -0.012 0.000 0.212 659 A C 1.189 178.876 177.584 0.172 0.000 1.201 659 A CA 0.141 52.215 52.037 0.063 0.000 0.843 659 A CB -0.660 18.383 19.000 0.071 0.000 0.873 659 A HN 0.203 nan 8.150 nan 0.000 0.492 660 A N -0.075 122.845 122.820 0.167 0.000 2.354 660 A HA 0.475 4.788 4.320 -0.012 0.000 0.269 660 A C 0.344 178.078 177.584 0.249 0.000 1.109 660 A CA -0.174 52.024 52.037 0.269 0.000 0.800 660 A CB 0.352 19.600 19.000 0.413 0.000 1.045 660 A HN 0.270 nan 8.150 nan 0.000 0.489 661 D N 0.497 121.047 120.400 0.249 0.000 2.431 661 D HA 0.125 4.758 4.640 -0.012 0.000 0.235 661 D C 0.047 176.575 176.300 0.380 0.000 0.980 661 D CA 0.746 54.948 54.000 0.337 0.000 0.912 661 D CB 0.297 41.207 40.800 0.184 0.000 1.056 661 D HN 0.366 nan 8.370 nan 0.000 0.494 662 L N 1.024 122.355 121.223 0.180 0.000 2.381 662 L HA 0.298 4.631 4.340 -0.012 0.000 0.274 662 L C -0.853 175.925 176.870 -0.153 0.000 0.988 662 L CA -0.319 54.560 54.840 0.066 0.000 0.824 662 L CB 2.136 44.210 42.059 0.025 0.000 1.263 662 L HN -0.188 nan 8.230 nan 0.000 0.410 663 S N 4.220 119.752 115.700 -0.280 0.000 2.422 663 S HA 0.327 4.790 4.470 -0.012 0.000 0.308 663 S C -0.414 173.949 174.600 -0.395 0.000 1.097 663 S CA -0.687 57.108 58.200 -0.676 0.000 1.099 663 S CB 0.637 63.383 63.200 -0.755 0.000 0.976 663 S HN 0.547 nan 8.310 nan 0.000 0.471 664 E N 4.117 124.088 120.200 -0.383 0.000 2.105 664 E HA 0.199 4.542 4.350 -0.012 0.000 0.285 664 E C -0.515 175.989 176.600 -0.160 0.000 1.055 664 E CA -0.371 55.925 56.400 -0.174 0.000 0.843 664 E CB 0.926 30.549 29.700 -0.127 0.000 1.067 664 E HN 0.600 nan 8.360 nan 0.000 0.398 665 Q N 2.786 122.548 119.800 -0.063 0.000 3.122 665 Q HA 0.270 4.603 4.340 -0.012 0.000 0.282 665 Q C 0.542 176.529 176.000 -0.020 0.000 0.947 665 Q CA -0.134 55.637 55.803 -0.054 0.000 0.812 665 Q CB 0.186 28.901 28.738 -0.037 0.000 1.333 665 Q HN 0.609 nan 8.270 nan 0.000 0.430 666 I N -1.759 118.785 120.570 -0.043 0.000 3.569 666 I HA 0.289 4.452 4.170 -0.012 0.000 0.334 666 I C 0.342 176.408 176.117 -0.086 0.000 1.570 666 I CA -0.687 60.595 61.300 -0.031 0.000 1.082 666 I CB 0.543 38.531 38.000 -0.021 0.000 1.323 666 I HN -0.010 nan 8.210 nan 0.000 0.489 667 S N 0.241 115.893 115.700 -0.080 0.000 2.579 667 S HA 0.236 4.699 4.470 -0.012 0.000 0.275 667 S C 0.570 175.155 174.600 -0.026 0.000 1.345 667 S CA -0.306 57.870 58.200 -0.040 0.000 1.031 667 S CB 0.394 63.621 63.200 0.045 0.000 0.892 667 S HN 0.384 nan 8.310 nan 0.000 0.529 668 T N 2.611 117.186 114.554 0.034 0.000 2.902 668 T HA 0.377 4.720 4.350 -0.012 0.000 0.301 668 T C 0.739 175.449 174.700 0.017 0.000 1.012 668 T CA 0.216 62.341 62.100 0.041 0.000 1.151 668 T CB -0.030 68.931 68.868 0.155 0.000 0.946 668 T HN 1.004 nan 8.240 nan 0.000 0.542 669 A N 2.715 125.513 122.820 -0.036 0.000 2.580 669 A HA 0.447 4.760 4.320 -0.012 0.000 0.244 669 A C 1.649 179.223 177.584 -0.015 0.000 1.045 669 A CA 0.301 52.312 52.037 -0.044 0.000 0.761 669 A CB -0.914 18.047 19.000 -0.065 0.000 0.962 669 A HN 1.729 nan 8.150 nan 0.000 0.512 670 G N 1.385 110.174 108.800 -0.018 0.000 2.176 670 G HA2 -0.246 3.707 3.960 -0.012 0.000 0.232 670 G HA3 -0.246 3.707 3.960 -0.012 0.000 0.232 670 G C 0.889 175.773 174.900 -0.028 0.000 0.986 670 G CA 1.119 46.209 45.100 -0.016 0.000 0.643 670 G HN 1.961 nan 8.290 nan 0.000 0.522 671 T N -2.274 112.262 114.554 -0.031 0.000 3.056 671 T HA 0.388 4.731 4.350 -0.012 0.000 0.241 671 T C 0.813 175.356 174.700 -0.262 0.000 1.006 671 T CA 1.084 63.101 62.100 -0.140 0.000 1.115 671 T CB 0.419 69.253 68.868 -0.057 0.000 0.939 671 T HN 0.288 nan 8.240 nan 0.000 0.462 672 E N 1.677 121.857 120.200 -0.034 0.000 2.070 672 E HA 0.626 4.968 4.350 -0.012 0.000 0.282 672 E C 1.155 177.711 176.600 -0.074 0.000 1.104 672 E CA 0.128 56.559 56.400 0.051 0.000 0.876 672 E CB 0.718 30.506 29.700 0.148 0.000 1.055 672 E HN 0.385 nan 8.360 nan 0.000 0.401 673 A N 3.453 126.157 122.820 -0.194 0.000 1.892 673 A HA -0.209 4.104 4.320 -0.012 0.000 0.218 673 A C 2.005 179.485 177.584 -0.174 0.000 1.188 673 A CA 2.213 54.025 52.037 -0.375 0.000 0.631 673 A CB -0.271 18.262 19.000 -0.779 0.000 0.822 673 A HN 0.611 nan 8.150 nan 0.000 0.447 674 S N -3.817 111.828 115.700 -0.091 0.000 3.984 674 S HA 0.452 4.914 4.470 -0.012 0.000 0.221 674 S C 0.735 175.321 174.600 -0.022 0.000 1.149 674 S CA 1.446 59.631 58.200 -0.026 0.000 0.950 674 S CB -0.145 63.063 63.200 0.012 0.000 1.216 674 S HN 2.266 nan 8.310 nan 0.000 0.547 675 G N 0.383 109.176 108.800 -0.011 0.000 2.722 675 G HA2 -0.073 3.880 3.960 -0.012 0.000 0.686 675 G HA3 -0.073 3.880 3.960 -0.012 0.000 0.686 675 G C 0.268 175.145 174.900 -0.039 0.000 1.282 675 G CA 0.461 45.550 45.100 -0.018 0.000 0.817 675 G HN 1.323 nan 8.290 nan 0.000 0.605 676 T N -1.819 112.698 114.554 -0.061 0.000 3.010 676 T HA 0.381 4.724 4.350 -0.012 0.000 0.253 676 T C 2.430 177.026 174.700 -0.173 0.000 0.939 676 T CA 1.278 63.311 62.100 -0.111 0.000 0.910 676 T CB 0.205 68.997 68.868 -0.127 0.000 1.226 676 T HN 1.915 nan 8.240 nan 0.000 0.508 677 G N 3.253 111.980 108.800 -0.123 0.000 2.469 677 G HA2 -0.322 3.631 3.960 -0.012 0.000 0.219 677 G HA3 -0.322 3.631 3.960 -0.012 0.000 0.219 677 G C 1.468 176.425 174.900 0.094 0.000 1.150 677 G CA 1.318 46.374 45.100 -0.073 0.000 0.763 677 G HN 0.843 nan 8.290 nan 0.000 0.561 678 N N -0.086 118.652 118.700 0.063 0.000 2.091 678 N HA -0.120 4.613 4.740 -0.012 0.000 0.193 678 N C 1.459 176.980 175.510 0.020 0.000 1.021 678 N CA 0.723 53.811 53.050 0.063 0.000 0.862 678 N CB -0.348 38.124 38.487 -0.026 0.000 1.018 678 N HN 0.351 nan 8.380 nan 0.000 0.429 682 M N 0.233 119.911 119.600 0.131 0.000 2.159 682 M HA -0.128 4.345 4.480 -0.012 0.000 0.263 682 M C 1.954 178.301 176.300 0.077 0.000 1.063 682 M CA 1.742 57.086 55.300 0.073 0.000 1.110 682 M CB -0.026 32.621 32.600 0.078 0.000 1.374 682 M HN 0.310 nan 8.290 nan 0.000 0.411 683 L N 0.587 121.857 121.223 0.078 0.000 2.291 683 L HA -0.062 4.271 4.340 -0.012 0.000 0.214 683 L C 1.327 178.240 176.870 0.070 0.000 1.120 683 L CA 1.557 56.451 54.840 0.089 0.000 0.799 683 L CB -0.539 41.583 42.059 0.105 0.000 0.925 683 L HN 0.329 nan 8.230 nan 0.000 0.446 684 N N -0.390 118.342 118.700 0.054 0.000 2.203 684 N HA 0.179 4.912 4.740 -0.012 0.000 0.207 684 N C 0.813 176.357 175.510 0.056 0.000 1.130 684 N CA 0.793 53.869 53.050 0.044 0.000 0.861 684 N CB 0.690 39.181 38.487 0.007 0.000 1.005 684 N HN 0.375 nan 8.380 nan 0.000 0.507 685 G N 0.578 109.414 108.800 0.060 0.000 2.140 685 G HA2 -0.173 3.780 3.960 -0.012 0.000 0.211 685 G HA3 -0.173 3.780 3.960 -0.012 0.000 0.211 685 G C -0.062 174.899 174.900 0.102 0.000 1.013 685 G CA 0.089 45.224 45.100 0.058 0.000 0.705 685 G HN 0.501 nan 8.290 nan 0.000 0.508 686 A N -0.250 122.637 122.820 0.112 0.000 2.325 686 A HA 0.889 5.202 4.320 -0.012 0.000 0.333 686 A C 0.378 177.951 177.584 -0.019 0.000 1.155 686 A CA -0.633 51.489 52.037 0.142 0.000 0.814 686 A CB 1.037 20.189 19.000 0.253 0.000 1.206 686 A HN 0.721 nan 8.150 nan 0.000 0.482 687 L N 0.824 122.005 121.223 -0.069 0.000 2.399 687 L HA 0.447 4.780 4.340 -0.012 0.000 0.266 687 L C 0.166 176.937 176.870 -0.165 0.000 1.114 687 L CA -0.342 54.350 54.840 -0.246 0.000 0.804 687 L CB 1.517 43.349 42.059 -0.377 0.000 1.146 687 L HN 0.680 nan 8.230 nan 0.000 0.451 688 T N 2.866 117.232 114.554 -0.313 0.000 2.779 688 T HA 0.441 4.784 4.350 -0.012 0.000 0.280 688 T C -0.350 174.387 174.700 0.062 0.000 0.987 688 T CA -0.247 61.731 62.100 -0.205 0.000 0.966 688 T CB 1.345 70.014 68.868 -0.332 0.000 0.933 688 T HN 0.339 nan 8.240 nan 0.000 0.442 689 I N 3.186 123.828 120.570 0.120 0.000 2.321 689 I HA 0.696 4.859 4.170 -0.012 0.000 0.291 689 I C 0.175 176.483 176.117 0.318 0.000 0.998 689 I CA 0.150 61.609 61.300 0.266 0.000 1.227 689 I CB 0.326 38.407 38.000 0.134 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 3.991 113.037 108.800 0.410 0.000 2.646 690 G HA2 0.431 4.384 3.960 -0.012 0.000 0.291 690 G HA3 0.431 4.384 3.960 -0.012 0.000 0.291 690 G C -0.877 173.941 174.900 -0.136 0.000 1.445 690 G CA -0.455 44.760 45.100 0.192 0.000 0.814 690 G HN 0.592 nan 8.290 nan 0.000 0.495 691 T N -1.086 113.251 114.554 -0.361 0.000 2.849 691 T HA 0.479 4.822 4.350 -0.012 0.000 0.284 691 T C 0.806 175.373 174.700 -0.221 0.000 1.004 691 T CA -0.648 61.167 62.100 -0.475 0.000 1.021 691 T CB 1.046 69.659 68.868 -0.426 0.000 1.013 691 T HN 0.264 nan 8.240 nan 0.000 0.527 692 M N 2.915 122.399 119.600 -0.193 0.000 3.442 692 M HA 0.310 4.783 4.480 -0.012 0.000 0.232 692 M C -0.422 175.817 176.300 -0.101 0.000 1.508 692 M CA 0.001 55.225 55.300 -0.126 0.000 1.647 692 M CB -1.846 30.692 32.600 -0.104 0.000 1.126 692 M HN 0.736 nan 8.290 nan 0.000 0.557 693 D N -0.039 120.306 120.400 -0.091 0.000 2.732 693 D HA 0.668 5.301 4.640 -0.012 0.000 0.229 693 D C 0.667 176.938 176.300 -0.049 0.000 1.152 693 D CA 0.741 54.703 54.000 -0.062 0.000 0.854 693 D CB 1.702 42.468 40.800 -0.057 0.000 1.590 693 D HN 0.600 nan 8.370 nan 0.000 0.468 694 G N 1.757 110.539 108.800 -0.030 0.000 2.614 694 G HA2 -0.249 3.704 3.960 -0.012 0.000 0.303 694 G HA3 -0.249 3.704 3.960 -0.012 0.000 0.303 694 G C 1.048 175.932 174.900 -0.026 0.000 1.270 694 G CA 1.112 46.199 45.100 -0.022 0.000 0.988 694 G HN 1.072 nan 8.290 nan 0.000 0.551 695 A N -0.359 122.438 122.820 -0.038 0.000 2.167 695 A HA 0.090 4.403 4.320 -0.012 0.000 0.214 695 A C 2.115 179.617 177.584 -0.137 0.000 1.151 695 A CA 1.835 53.836 52.037 -0.061 0.000 0.735 695 A CB -0.466 18.480 19.000 -0.090 0.000 0.802 695 A HN 0.645 nan 8.150 nan 0.000 0.467 696 N N 0.587 119.216 118.700 -0.118 0.000 2.132 696 N HA -0.167 4.566 4.740 -0.012 0.000 0.191 696 N C 1.573 176.952 175.510 -0.219 0.000 1.015 696 N CA 1.663 54.632 53.050 -0.135 0.000 0.864 696 N CB -0.639 37.806 38.487 -0.069 0.000 1.006 696 N HN 0.305 nan 8.380 nan 0.000 0.430 697 V N 1.165 120.992 119.914 -0.145 0.000 2.295 697 V HA -0.202 3.911 4.120 -0.012 0.000 0.246 697 V C 1.973 177.991 176.094 -0.125 0.000 1.049 697 V CA 1.680 63.898 62.300 -0.137 0.000 1.024 697 V CB -0.485 31.292 31.823 -0.077 0.000 0.648 697 V HN 0.347 nan 8.190 nan 0.000 0.447 698 E N -0.588 119.589 120.200 -0.039 0.000 2.152 698 E HA -0.130 4.213 4.350 -0.012 0.000 0.192 698 E C 2.212 178.913 176.600 0.169 0.000 0.983 698 E CA 1.010 57.465 56.400 0.091 0.000 0.818 698 E CB -0.188 29.653 29.700 0.235 0.000 0.758 698 E HN 0.529 nan 8.360 nan 0.000 0.467 699 M N 0.541 120.117 119.600 -0.040 0.000 2.086 699 M HA -0.170 4.303 4.480 -0.012 0.000 0.261 699 M C 2.491 178.491 176.300 -0.500 0.000 1.067 699 M CA 1.654 56.849 55.300 -0.174 0.000 1.116 699 M CB -0.213 32.183 32.600 -0.340 0.000 1.348 699 M HN 0.151 nan 8.290 nan 0.000 0.407 700 A N -0.256 121.987 122.820 -0.961 0.000 1.933 700 A HA -0.215 4.098 4.320 -0.012 0.000 0.218 700 A C 1.969 179.331 177.584 -0.369 0.000 1.175 700 A CA 1.930 53.351 52.037 -1.027 0.000 0.628 700 A CB -0.806 17.716 19.000 -0.796 0.000 0.814 700 A HN 0.597 nan 8.150 nan 0.000 0.444 701 E N -0.341 119.727 120.200 -0.220 0.000 2.077 701 E HA -0.218 4.125 4.350 -0.012 0.000 0.193 701 E C 1.773 178.345 176.600 -0.046 0.000 0.989 701 E CA 1.288 57.629 56.400 -0.098 0.000 0.800 701 E CB -0.073 29.592 29.700 -0.060 0.000 0.746 701 E HN 0.552 nan 8.360 nan 0.000 0.452 702 E N 0.163 120.363 120.200 -0.000 0.000 2.047 702 E HA -0.135 4.208 4.350 -0.012 0.000 0.191 702 E C 1.907 178.541 176.600 0.056 0.000 0.987 702 E CA 1.172 57.599 56.400 0.045 0.000 0.799 702 E CB -0.236 29.542 29.700 0.130 0.000 0.752 702 E HN 0.375 nan 8.360 nan 0.000 0.449 703 A N 0.422 123.292 122.820 0.084 0.000 2.021 703 A HA 0.306 4.619 4.320 -0.012 0.000 0.216 703 A C 1.087 178.715 177.584 0.072 0.000 1.163 703 A CA 1.170 53.286 52.037 0.133 0.000 0.676 703 A CB -0.102 19.094 19.000 0.326 0.000 0.818 703 A HN 0.272 nan 8.150 nan 0.000 0.453 704 G N -0.698 108.113 108.800 0.018 0.000 3.055 704 G HA2 -0.098 3.855 3.960 -0.012 0.000 0.686 704 G HA3 -0.098 3.855 3.960 -0.012 0.000 0.686 704 G C -0.035 174.867 174.900 0.003 0.000 1.087 704 G CA 0.005 45.103 45.100 -0.003 0.000 0.779 704 G HN 0.257 nan 8.290 nan 0.000 0.599 705 E N 0.916 121.097 120.200 -0.032 0.000 2.204 705 E HA -0.136 4.207 4.350 -0.012 0.000 0.195 705 E C 2.017 178.613 176.600 -0.007 0.000 0.990 705 E CA 1.646 58.030 56.400 -0.026 0.000 0.821 705 E CB 0.085 29.763 29.700 -0.038 0.000 0.750 705 E HN 0.767 nan 8.360 nan 0.000 0.477 706 E N 0.719 120.904 120.200 -0.025 0.000 2.338 706 E HA -0.096 4.247 4.350 -0.012 0.000 0.197 706 E C 1.068 177.589 176.600 -0.132 0.000 1.007 706 E CA 0.643 57.007 56.400 -0.060 0.000 0.849 706 E CB -0.007 29.668 29.700 -0.041 0.000 0.774 706 E HN 0.154 nan 8.360 nan 0.000 0.506 707 N N -0.417 118.235 118.700 -0.081 0.000 2.230 707 N HA 0.128 4.861 4.740 -0.012 0.000 0.202 707 N C -0.819 174.552 175.510 -0.232 0.000 1.119 707 N CA 0.147 53.103 53.050 -0.156 0.000 0.851 707 N CB 0.427 38.888 38.487 -0.043 0.000 0.990 707 N HN 0.050 nan 8.380 nan 0.000 0.497 708 F N -0.414 119.303 119.950 -0.389 0.000 2.577 708 F HA 0.421 4.940 4.527 -0.013 0.000 0.318 708 F C -0.382 175.149 175.800 -0.447 0.000 1.065 708 F CA -1.084 56.704 58.000 -0.353 0.000 0.929 708 F CB 1.186 40.096 39.000 -0.149 0.000 1.237 708 F HN -0.221 nan 8.300 nan 0.000 0.468 709 F N 3.911 123.928 119.950 0.112 0.000 2.359 709 F HA 0.425 4.945 4.527 -0.012 0.000 0.355 709 F C -0.273 175.670 175.800 0.239 0.000 1.132 709 F CA -0.542 57.533 58.000 0.125 0.000 1.246 709 F CB -0.222 38.806 39.000 0.046 0.000 1.569 709 F HN 0.042 nan 8.300 nan 0.000 0.561 710 I N 3.727 124.489 120.570 0.319 0.000 2.428 710 I HA 0.364 4.527 4.170 -0.012 0.000 0.289 710 I C -0.129 176.167 176.117 0.299 0.000 1.019 710 I CA -0.407 61.035 61.300 0.236 0.000 1.351 710 I CB 0.489 38.546 38.000 0.095 0.000 1.412 710 I HN 0.353 nan 8.210 nan 0.000 0.513 711 F N 3.189 123.200 119.950 0.101 0.000 2.685 711 F HA 0.943 5.463 4.527 -0.012 0.000 0.315 711 F C 0.035 175.873 175.800 0.063 0.000 1.126 711 F CA -0.674 57.378 58.000 0.087 0.000 0.950 711 F CB 1.019 40.087 39.000 0.113 0.000 1.360 711 F HN 0.853 nan 8.300 nan 0.000 0.469 712 G N 1.079 109.946 108.800 0.112 0.000 2.710 712 G HA2 -0.062 3.891 3.960 -0.012 0.000 0.668 712 G HA3 -0.062 3.891 3.960 -0.012 0.000 0.668 712 G C -0.901 173.975 174.900 -0.041 0.000 1.320 712 G CA -0.655 44.452 45.100 0.010 0.000 0.860 712 G HN 0.962 nan 8.290 nan 0.000 0.538 713 M N 0.895 120.481 119.600 -0.022 0.000 2.250 713 M HA 0.204 4.676 4.480 -0.012 0.000 0.337 713 M C 1.231 177.497 176.300 -0.057 0.000 1.161 713 M CA 0.099 55.390 55.300 -0.015 0.000 1.088 713 M CB 0.260 32.860 32.600 0.001 0.000 1.639 713 M HN 0.530 nan 8.290 nan 0.000 0.447 714 R N 1.772 122.251 120.500 -0.035 0.000 2.541 714 R HA 0.271 4.604 4.340 -0.012 0.000 0.263 714 R C 1.225 177.506 176.300 -0.032 0.000 1.112 714 R CA -0.592 55.482 56.100 -0.044 0.000 1.170 714 R CB -0.095 30.186 30.300 -0.032 0.000 1.167 714 R HN 0.572 nan 8.270 nan 0.000 0.582 715 V N 1.510 121.404 119.914 -0.034 0.000 2.278 715 V HA -0.297 3.816 4.120 -0.012 0.000 0.251 715 V C 1.920 178.004 176.094 -0.017 0.000 1.062 715 V CA 2.162 64.446 62.300 -0.026 0.000 1.038 715 V CB -0.493 31.312 31.823 -0.029 0.000 0.646 715 V HN 0.639 nan 8.190 nan 0.000 0.447 716 E N 0.117 120.309 120.200 -0.014 0.000 2.118 716 E HA -0.194 4.149 4.350 -0.012 0.000 0.195 716 E C 1.957 178.561 176.600 0.007 0.000 0.992 716 E CA 1.460 57.857 56.400 -0.005 0.000 0.804 716 E CB -0.369 29.328 29.700 -0.004 0.000 0.741 716 E HN 0.635 nan 8.360 nan 0.000 0.458 717 D N -0.173 120.233 120.400 0.010 0.000 2.144 717 D HA -0.089 4.543 4.640 -0.012 0.000 0.200 717 D C 1.974 178.292 176.300 0.030 0.000 0.978 717 D CA 0.734 54.751 54.000 0.028 0.000 0.833 717 D CB -0.061 40.759 40.800 0.033 0.000 0.961 717 D HN 0.064 nan 8.370 nan 0.000 0.470 718 V N 1.856 121.775 119.914 0.009 0.000 2.295 718 V HA -0.216 3.897 4.120 -0.012 0.000 0.246 718 V C 1.966 178.064 176.094 0.005 0.000 1.049 718 V CA 1.693 63.992 62.300 -0.002 0.000 1.024 718 V CB -0.408 31.403 31.823 -0.020 0.000 0.648 718 V HN 0.024 nan 8.190 nan 0.000 0.447 719 D N -0.060 120.342 120.400 0.003 0.000 2.104 719 D HA -0.168 4.465 4.640 -0.012 0.000 0.194 719 D C 2.406 178.718 176.300 0.021 0.000 0.994 719 D CA 1.319 55.322 54.000 0.006 0.000 0.830 719 D CB -0.291 40.509 40.800 -0.001 0.000 0.959 719 D HN 0.340 nan 8.370 nan 0.000 0.452 720 R N 0.026 120.544 120.500 0.029 0.000 2.091 720 R HA -0.038 4.295 4.340 -0.012 0.000 0.238 720 R C 2.479 178.816 176.300 0.062 0.000 1.136 720 R CA 0.545 56.670 56.100 0.042 0.000 0.959 720 R CB -0.329 29.998 30.300 0.044 0.000 0.856 720 R HN 0.210 nan 8.270 nan 0.000 0.437 721 L N 0.467 121.737 121.223 0.078 0.000 2.093 721 L HA -0.186 4.147 4.340 -0.012 0.000 0.208 721 L C 1.473 178.412 176.870 0.115 0.000 1.085 721 L CA 1.314 56.228 54.840 0.123 0.000 0.755 721 L CB -0.242 41.908 42.059 0.152 0.000 0.904 721 L HN 0.226 nan 8.230 nan 0.000 0.435 722 D N -0.458 119.984 120.400 0.069 0.000 2.144 722 D HA -0.206 4.427 4.640 -0.012 0.000 0.199 722 D C 2.202 178.533 176.300 0.053 0.000 0.984 722 D CA 1.134 55.167 54.000 0.055 0.000 0.834 722 D CB 0.031 40.842 40.800 0.018 0.000 0.955 722 D HN 0.428 nan 8.370 nan 0.000 0.465 723 Q N -0.109 119.718 119.800 0.045 0.000 2.119 723 Q HA -0.048 4.285 4.340 -0.012 0.000 0.201 723 Q C 2.193 178.220 176.000 0.044 0.000 0.972 723 Q CA 0.717 56.542 55.803 0.037 0.000 0.847 723 Q CB 0.123 28.878 28.738 0.029 0.000 0.903 723 Q HN 0.114 nan 8.270 nan 0.000 0.433 724 R N -0.300 120.235 120.500 0.058 0.000 2.119 724 R HA 0.028 4.361 4.340 -0.012 0.000 0.222 724 R C -0.147 176.193 176.300 0.068 0.000 1.088 724 R CA 0.857 56.993 56.100 0.060 0.000 0.984 724 R CB 0.321 30.663 30.300 0.070 0.000 0.884 724 R HN 0.259 nan 8.270 nan 0.000 0.447 725 G N 0.072 108.927 108.800 0.091 0.000 3.434 725 G HA2 -0.263 3.690 3.960 -0.012 0.000 0.686 725 G HA3 -0.263 3.690 3.960 -0.012 0.000 0.686 725 G C -1.305 173.689 174.900 0.156 0.000 1.099 725 G CA -0.403 44.760 45.100 0.105 0.000 0.931 725 G HN 0.280 nan 8.290 nan 0.000 0.520 726 Y N 3.697 124.033 120.300 0.059 0.000 2.480 726 Y HA 0.474 5.017 4.550 -0.012 0.000 0.341 726 Y C 0.609 176.568 175.900 0.098 0.000 1.031 726 Y CA -0.420 57.734 58.100 0.090 0.000 1.295 726 Y CB 0.722 39.217 38.460 0.059 0.000 1.162 726 Y HN 0.576 nan 8.280 nan 0.000 0.523 727 N N 5.198 123.688 118.700 -0.350 0.000 2.564 727 N HA 0.337 5.070 4.740 -0.012 0.000 0.248 727 N C 0.260 175.522 175.510 -0.414 0.000 0.986 727 N CA 0.193 53.048 53.050 -0.325 0.000 0.921 727 N CB 1.162 39.579 38.487 -0.116 0.000 1.136 727 N HN 0.876 nan 8.380 nan 0.000 0.509 728 A N 2.947 125.433 122.820 -0.557 0.000 1.972 728 A HA -0.208 4.105 4.320 -0.012 0.000 0.219 728 A C 1.999 179.697 177.584 0.190 0.000 1.169 728 A CA 1.246 53.160 52.037 -0.205 0.000 0.635 728 A CB -0.344 18.448 19.000 -0.346 0.000 0.810 728 A HN 0.764 nan 8.150 nan 0.000 0.446 729 Q N 0.294 120.109 119.800 0.025 0.000 2.135 729 Q HA -0.222 4.111 4.340 -0.012 0.000 0.204 729 Q C 1.871 177.947 176.000 0.127 0.000 0.981 729 Q CA 2.197 58.042 55.803 0.070 0.000 0.856 729 Q CB -0.353 28.382 28.738 -0.005 0.000 0.902 729 Q HN 0.777 nan 8.270 nan 0.000 0.425 730 E N -1.296 118.916 120.200 0.021 0.000 2.070 730 E HA -0.253 4.090 4.350 -0.012 0.000 0.197 730 E C 1.543 178.077 176.600 -0.110 0.000 1.004 730 E CA 1.589 57.926 56.400 -0.105 0.000 0.805 730 E CB -0.251 29.280 29.700 -0.282 0.000 0.744 730 E HN 0.597 nan 8.360 nan 0.000 0.451 731 Y N -1.058 119.314 120.300 0.121 0.000 2.200 731 Y HA -0.206 4.337 4.550 -0.012 0.000 0.290 731 Y C 2.263 178.174 175.900 0.018 0.000 1.137 731 Y CA 1.530 59.692 58.100 0.103 0.000 1.163 731 Y CB -0.758 37.818 38.460 0.192 0.000 0.988 731 Y HN 0.232 nan 8.280 nan 0.000 0.518 732 Y N 1.397 121.743 120.300 0.077 0.000 2.165 732 Y HA -0.299 4.244 4.550 -0.012 0.000 0.286 732 Y C 1.892 177.769 175.900 -0.038 0.000 1.155 732 Y CA 1.938 60.007 58.100 -0.051 0.000 1.164 732 Y CB -0.426 38.055 38.460 0.035 0.000 0.978 732 Y HN 0.085 nan 8.280 nan 0.000 0.513 733 D N -0.355 120.143 120.400 0.163 0.000 2.178 733 D HA -0.117 4.516 4.640 -0.012 0.000 0.202 733 D C 1.865 178.143 176.300 -0.037 0.000 0.974 733 D CA 1.368 55.403 54.000 0.059 0.000 0.841 733 D CB -0.113 40.736 40.800 0.082 0.000 0.953 733 D HN 0.485 nan 8.370 nan 0.000 0.478 734 R N -0.390 120.090 120.500 -0.033 0.000 2.334 734 R HA 0.292 4.625 4.340 -0.012 0.000 0.212 734 R C 0.291 176.575 176.300 -0.027 0.000 0.897 734 R CA 0.051 56.130 56.100 -0.034 0.000 1.056 734 R CB 1.196 31.472 30.300 -0.039 0.000 1.046 734 R HN 0.139 nan 8.270 nan 0.000 0.513 735 I N 2.119 122.658 120.570 -0.052 0.000 2.437 735 I HA 0.230 4.393 4.170 -0.012 0.000 0.279 735 I C -1.982 174.050 176.117 -0.141 0.000 1.028 735 I CA -2.337 58.936 61.300 -0.045 0.000 1.142 735 I CB 2.149 40.164 38.000 0.025 0.000 1.266 735 I HN -0.284 nan 8.210 nan 0.000 0.461 736 P HA -0.144 nan 4.420 nan 0.000 0.216 736 P C 1.202 178.413 177.300 -0.149 0.000 1.150 736 P CA 1.312 64.324 63.100 -0.146 0.000 0.837 736 P CB 0.324 31.970 31.700 -0.091 0.000 0.786 737 E N -0.944 119.206 120.200 -0.083 0.000 2.110 737 E HA -0.168 4.175 4.350 -0.012 0.000 0.193 737 E C 1.852 178.363 176.600 -0.149 0.000 0.988 737 E CA 0.707 57.074 56.400 -0.056 0.000 0.804 737 E CB -0.580 29.156 29.700 0.059 0.000 0.745 737 E HN 0.112 nan 8.360 nan 0.000 0.458 738 L N 1.138 122.191 121.223 -0.283 0.000 2.056 738 L HA -0.124 4.208 4.340 -0.012 0.000 0.207 738 L C 2.346 178.954 176.870 -0.437 0.000 1.078 738 L CA 1.593 56.095 54.840 -0.563 0.000 0.749 738 L CB -0.268 41.308 42.059 -0.804 0.000 0.901 738 L HN -0.089 nan 8.230 nan 0.000 0.433 739 R N -0.886 119.341 120.500 -0.456 0.000 2.083 739 R HA -0.238 4.095 4.340 -0.012 0.000 0.237 739 R C 2.404 178.534 176.300 -0.282 0.000 1.137 739 R CA 1.972 57.714 56.100 -0.597 0.000 0.951 739 R CB -0.346 29.522 30.300 -0.720 0.000 0.851 739 R HN 0.585 nan 8.270 nan 0.000 0.434 740 Q N 0.421 120.095 119.800 -0.210 0.000 2.096 740 Q HA -0.194 4.139 4.340 -0.012 0.000 0.204 740 Q C 2.077 178.023 176.000 -0.091 0.000 0.982 740 Q CA 2.010 57.734 55.803 -0.132 0.000 0.850 740 Q CB -0.107 28.556 28.738 -0.125 0.000 0.901 740 Q HN 0.471 nan 8.270 nan 0.000 0.422 741 I N 0.581 121.094 120.570 -0.097 0.000 2.179 741 I HA -0.289 3.874 4.170 -0.012 0.000 0.242 741 I C 2.111 178.245 176.117 0.029 0.000 1.088 741 I CA 0.655 61.934 61.300 -0.035 0.000 1.357 741 I CB -0.316 37.635 38.000 -0.081 0.000 1.051 741 I HN 0.299 nan 8.210 nan 0.000 0.409 742 I N 0.823 121.411 120.570 0.030 0.000 2.226 742 I HA -0.234 3.929 4.170 -0.012 0.000 0.245 742 I C 2.458 178.675 176.117 0.167 0.000 1.100 742 I CA 1.615 63.003 61.300 0.147 0.000 1.374 742 I CB -1.334 36.846 38.000 0.300 0.000 1.057 742 I HN 0.335 nan 8.210 nan 0.000 0.413 743 E N 0.403 120.684 120.200 0.134 0.000 2.077 743 E HA -0.248 4.095 4.350 -0.012 0.000 0.193 743 E C 2.194 178.858 176.600 0.107 0.000 0.989 743 E CA 1.078 57.548 56.400 0.116 0.000 0.800 743 E CB -0.127 29.610 29.700 0.063 0.000 0.746 743 E HN 0.573 nan 8.360 nan 0.000 0.452 744 Q N 0.408 120.253 119.800 0.074 0.000 2.050 744 Q HA -0.147 4.186 4.340 -0.012 0.000 0.202 744 Q C 2.374 178.548 176.000 0.290 0.000 0.980 744 Q CA 1.044 56.904 55.803 0.095 0.000 0.840 744 Q CB -0.064 28.646 28.738 -0.047 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.424 745 L N -0.042 121.360 121.223 0.299 0.000 2.017 745 L HA -0.207 4.126 4.340 -0.012 0.000 0.208 745 L C 2.455 179.511 176.870 0.309 0.000 1.073 745 L CA 1.104 56.143 54.840 0.331 0.000 0.745 745 L CB -0.393 41.775 42.059 0.182 0.000 0.894 745 L HN 0.154 nan 8.230 nan 0.000 0.432 746 S N -0.344 115.490 115.700 0.224 0.000 2.383 746 S HA -0.146 4.317 4.470 -0.012 0.000 0.227 746 S C 2.054 176.757 174.600 0.170 0.000 1.026 746 S CA 1.516 59.828 58.200 0.186 0.000 0.981 746 S CB -0.226 63.063 63.200 0.148 0.000 0.818 746 S HN 0.606 nan 8.310 nan 0.000 0.472 747 S N 0.279 116.082 115.700 0.172 0.000 2.528 747 S HA 0.373 4.836 4.470 -0.012 0.000 0.219 747 S C 1.385 176.074 174.600 0.148 0.000 0.985 747 S CA 0.564 58.850 58.200 0.142 0.000 0.914 747 S CB 0.079 63.355 63.200 0.127 0.000 0.776 747 S HN 0.812 nan 8.310 nan 0.000 0.526 748 G N 0.665 109.586 108.800 0.202 0.000 2.131 748 G HA2 -0.259 3.693 3.960 -0.012 0.000 0.201 748 G HA3 -0.259 3.693 3.960 -0.012 0.000 0.201 748 G C 0.134 175.126 174.900 0.154 0.000 1.000 748 G CA 0.064 45.271 45.100 0.180 0.000 0.680 748 G HN 0.466 nan 8.290 nan 0.000 0.514 749 F N 0.325 120.280 119.950 0.009 0.000 2.134 749 F HA 0.187 4.706 4.527 -0.012 0.000 0.299 749 F C 1.919 177.532 175.800 -0.311 0.000 1.097 749 F CA 1.979 59.857 58.000 -0.203 0.000 1.264 749 F CB -0.043 38.742 39.000 -0.359 0.000 1.001 749 F HN 0.174 nan 8.300 nan 0.000 0.479 750 F N -0.262 119.856 119.950 0.281 0.000 2.693 750 F HA 0.196 4.716 4.527 -0.012 0.000 0.303 750 F C 0.575 176.501 175.800 0.210 0.000 1.097 750 F CA 0.252 58.371 58.000 0.198 0.000 1.330 750 F CB -0.192 38.928 39.000 0.200 0.000 1.067 750 F HN -0.040 nan 8.300 nan 0.000 0.565 751 S N -1.860 113.995 115.700 0.257 0.000 2.564 751 S HA 0.307 4.770 4.470 -0.012 0.000 0.141 751 S C -2.525 172.094 174.600 0.032 0.000 1.474 751 S CA -0.987 57.283 58.200 0.116 0.000 1.236 751 S CB 0.979 64.195 63.200 0.027 0.000 1.481 751 S HN -0.182 nan 8.310 nan 0.000 0.397 752 P HA -0.011 nan 4.420 nan 0.000 0.217 752 P C 1.069 178.357 177.300 -0.021 0.000 1.150 752 P CA 1.103 64.180 63.100 -0.039 0.000 0.832 752 P CB 0.115 31.767 31.700 -0.081 0.000 0.787 753 K N -1.046 119.343 120.400 -0.019 0.000 2.305 753 K HA 0.032 4.345 4.320 -0.012 0.000 0.199 753 K C 0.637 177.232 176.600 -0.008 0.000 1.047 753 K CA 0.717 56.996 56.287 -0.013 0.000 0.976 753 K CB 0.082 32.575 32.500 -0.011 0.000 0.765 753 K HN 0.282 nan 8.250 nan 0.000 0.474 754 Q N -0.023 119.770 119.800 -0.013 0.000 2.907 754 Q HA 0.153 4.486 4.340 -0.012 0.000 0.262 754 Q C -2.358 173.628 176.000 -0.024 0.000 0.997 754 Q CA -1.664 54.126 55.803 -0.022 0.000 0.797 754 Q CB 1.499 30.216 28.738 -0.035 0.000 1.228 754 Q HN -0.078 nan 8.270 nan 0.000 0.466 755 P HA -0.224 nan 4.420 nan 0.000 0.217 755 P C 0.679 178.007 177.300 0.047 0.000 1.148 755 P CA 1.433 64.555 63.100 0.037 0.000 0.828 755 P CB 0.205 31.929 31.700 0.039 0.000 0.783 756 D N -1.280 119.132 120.400 0.019 0.000 2.328 756 D HA -0.016 4.617 4.640 -0.012 0.000 0.221 756 D C 1.682 177.974 176.300 -0.014 0.000 1.072 756 D CA -0.167 53.852 54.000 0.031 0.000 0.850 756 D CB -0.685 40.135 40.800 0.033 0.000 0.922 756 D HN 0.028 nan 8.370 nan 0.000 0.516 757 L N 0.044 121.188 121.223 -0.133 0.000 2.089 757 L HA -0.123 4.209 4.340 -0.012 0.000 0.213 757 L C 1.237 177.895 176.870 -0.354 0.000 1.079 757 L CA 1.703 56.341 54.840 -0.336 0.000 0.758 757 L CB -0.611 41.040 42.059 -0.679 0.000 0.891 757 L HN -0.005 nan 8.230 nan 0.000 0.433 758 F N -0.829 119.179 119.950 0.096 0.000 2.639 758 F HA 0.131 4.651 4.527 -0.012 0.000 0.300 758 F C 1.851 177.700 175.800 0.083 0.000 1.109 758 F CA -0.170 57.875 58.000 0.075 0.000 1.335 758 F CB -0.272 38.761 39.000 0.056 0.000 1.014 758 F HN 0.094 nan 8.300 nan 0.000 0.537 759 K N -0.239 120.278 120.400 0.195 0.000 2.103 759 K HA -0.183 4.129 4.320 -0.012 0.000 0.207 759 K C 0.892 177.590 176.600 0.162 0.000 1.048 759 K CA 1.955 58.338 56.287 0.160 0.000 0.930 759 K CB -0.247 32.324 32.500 0.118 0.000 0.716 759 K HN 0.097 nan 8.250 nan 0.000 0.444 760 D N 1.361 121.871 120.400 0.184 0.000 2.117 760 D HA -0.072 4.561 4.640 -0.012 0.000 0.198 760 D C 2.086 178.481 176.300 0.160 0.000 0.982 760 D CA 1.101 55.220 54.000 0.199 0.000 0.828 760 D CB -0.124 40.837 40.800 0.269 0.000 0.967 760 D HN 0.305 nan 8.370 nan 0.000 0.464 761 I N 0.590 121.255 120.570 0.159 0.000 2.179 761 I HA -0.226 3.937 4.170 -0.012 0.000 0.242 761 I C 2.458 178.601 176.117 0.042 0.000 1.088 761 I CA 0.661 62.015 61.300 0.089 0.000 1.357 761 I CB -0.285 37.766 38.000 0.085 0.000 1.051 761 I HN -0.116 nan 8.210 nan 0.000 0.409 762 V N 1.305 121.270 119.914 0.085 0.000 2.287 762 V HA -0.315 3.798 4.120 -0.012 0.000 0.248 762 V C 2.286 178.372 176.094 -0.013 0.000 1.053 762 V CA 2.436 64.772 62.300 0.059 0.000 1.027 762 V CB -1.022 30.864 31.823 0.106 0.000 0.646 762 V HN 0.493 nan 8.190 nan 0.000 0.447 763 N N -0.043 118.679 118.700 0.038 0.000 2.069 763 N HA -0.225 4.508 4.740 -0.012 0.000 0.191 763 N C 1.845 177.258 175.510 -0.161 0.000 1.031 763 N CA 2.023 55.113 53.050 0.068 0.000 0.852 763 N CB -0.321 38.276 38.487 0.183 0.000 1.018 763 N HN 0.352 nan 8.380 nan 0.000 0.423 764 M N -0.285 119.145 119.600 -0.284 0.000 2.086 764 M HA -0.101 4.372 4.480 -0.012 0.000 0.261 764 M C 1.464 177.488 176.300 -0.460 0.000 1.067 764 M CA 1.227 56.121 55.300 -0.676 0.000 1.116 764 M CB -0.662 31.785 32.600 -0.254 0.000 1.348 764 M HN 0.204 nan 8.290 nan 0.000 0.407 765 L N 0.814 121.854 121.223 -0.306 0.000 2.012 765 L HA -0.236 4.097 4.340 -0.012 0.000 0.210 765 L C 2.477 179.007 176.870 -0.567 0.000 1.073 765 L CA 1.744 56.330 54.840 -0.424 0.000 0.748 765 L CB -1.205 40.673 42.059 -0.302 0.000 0.891 765 L HN 0.353 nan 8.230 nan 0.000 0.431 766 M N -1.977 117.346 119.600 -0.460 0.000 2.288 766 M HA -0.078 4.395 4.480 -0.012 0.000 0.266 766 M C 1.825 177.712 176.300 -0.689 0.000 1.072 766 M CA 1.450 56.388 55.300 -0.603 0.000 1.132 766 M CB -0.796 31.348 32.600 -0.761 0.000 1.386 766 M HN 0.348 nan 8.290 nan 0.000 0.432 767 H N -2.126 116.846 119.070 -0.163 0.000 3.266 767 H HA 0.190 4.739 4.556 -0.012 0.000 0.246 767 H C 0.127 175.482 175.328 0.045 0.000 0.998 767 H CA 0.615 56.636 56.048 -0.044 0.000 1.152 767 H CB 0.259 30.052 29.762 0.051 0.000 1.466 767 H HN 0.568 nan 8.280 nan 0.000 0.481 768 H N -1.235 117.890 119.070 0.092 0.000 2.825 768 H HA 0.302 4.851 4.556 -0.012 0.000 0.226 768 H C -1.189 174.159 175.328 0.033 0.000 1.414 768 H CA -0.638 55.451 56.048 0.069 0.000 1.198 768 H CB 0.018 29.822 29.762 0.071 0.000 2.013 768 H HN -0.128 nan 8.280 nan 0.000 0.530 769 D N 1.333 121.734 120.400 0.001 0.000 2.411 769 D HA 0.147 4.780 4.640 -0.012 0.000 0.225 769 D C 0.875 177.107 176.300 -0.113 0.000 1.156 769 D CA -0.489 53.488 54.000 -0.039 0.000 0.874 769 D CB 0.808 41.563 40.800 -0.075 0.000 1.034 769 D HN 0.472 nan 8.370 nan 0.000 0.502 770 R N 2.346 122.687 120.500 -0.265 0.000 2.237 770 R HA -0.035 4.298 4.340 -0.012 0.000 0.219 770 R C 0.573 176.380 176.300 -0.822 0.000 1.080 770 R CA 0.905 56.632 56.100 -0.623 0.000 0.995 770 R CB 0.099 29.799 30.300 -1.000 0.000 0.875 770 R HN 0.424 nan 8.270 nan 0.000 0.462 771 F N 0.142 120.048 119.950 -0.073 0.000 2.661 771 F HA 0.282 4.801 4.527 -0.012 0.000 0.306 771 F C 0.033 175.713 175.800 -0.200 0.000 1.094 771 F CA -0.684 57.264 58.000 -0.086 0.000 1.254 771 F CB 0.266 39.282 39.000 0.026 0.000 1.040 771 F HN -0.258 nan 8.300 nan 0.000 0.562 772 K N -0.251 119.960 120.400 -0.315 0.000 3.257 772 K HA -0.172 4.141 4.320 -0.012 0.000 0.270 772 K C 0.963 177.444 176.600 -0.197 0.000 0.984 772 K CA 0.188 56.106 56.287 -0.615 0.000 0.739 772 K CB -1.844 30.231 32.500 -0.709 0.000 1.351 772 K HN 0.205 nan 8.250 nan 0.000 0.463 773 V N 0.019 119.897 119.914 -0.060 0.000 2.252 773 V HA -0.300 3.813 4.120 -0.012 0.000 0.249 773 V C 1.963 178.203 176.094 0.244 0.000 1.056 773 V CA 2.393 64.743 62.300 0.083 0.000 1.022 773 V CB -0.505 31.372 31.823 0.089 0.000 0.641 773 V HN 0.495 nan 8.190 nan 0.000 0.445 774 F N 0.273 120.221 119.950 -0.004 0.000 2.171 774 F HA -0.202 4.318 4.527 -0.012 0.000 0.300 774 F C 2.547 178.127 175.800 -0.366 0.000 1.090 774 F CA 0.680 58.617 58.000 -0.106 0.000 1.293 774 F CB -0.434 38.511 39.000 -0.092 0.000 1.013 774 F HN 0.200 nan 8.300 nan 0.000 0.486 775 A N -0.474 122.181 122.820 -0.275 0.000 2.024 775 A HA -0.208 4.105 4.320 -0.012 0.000 0.220 775 A C 1.473 179.055 177.584 -0.005 0.000 1.164 775 A CA 1.986 53.802 52.037 -0.368 0.000 0.643 775 A CB -0.470 18.465 19.000 -0.109 0.000 0.806 775 A HN 0.249 nan 8.150 nan 0.000 0.451 776 D N -2.991 117.465 120.400 0.094 0.000 2.398 776 D HA 0.093 4.725 4.640 -0.012 0.000 0.210 776 D C 1.174 177.636 176.300 0.271 0.000 1.094 776 D CA -0.043 54.084 54.000 0.212 0.000 0.839 776 D CB -0.121 40.816 40.800 0.228 0.000 0.963 776 D HN 0.590 nan 8.370 nan 0.000 0.506 777 Y N 2.083 122.461 120.300 0.130 0.000 2.097 777 Y HA -0.222 4.321 4.550 -0.011 0.000 0.282 777 Y C 2.088 178.065 175.900 0.128 0.000 1.152 777 Y CA 1.887 60.071 58.100 0.140 0.000 1.136 777 Y CB 0.205 38.709 38.460 0.074 0.000 0.975 777 Y HN -0.108 nan 8.280 nan 0.000 0.498 778 E N 0.010 120.256 120.200 0.077 0.000 2.038 778 E HA -0.244 4.099 4.350 -0.012 0.000 0.195 778 E C 2.159 178.716 176.600 -0.072 0.000 1.000 778 E CA 1.631 58.009 56.400 -0.037 0.000 0.803 778 E CB -0.184 29.598 29.700 0.137 0.000 0.750 778 E HN 0.640 nan 8.360 nan 0.000 0.448 779 E N -0.204 120.032 120.200 0.059 0.000 2.153 779 E HA -0.200 4.143 4.350 -0.012 0.000 0.194 779 E C 1.928 178.508 176.600 -0.034 0.000 0.988 779 E CA 0.739 57.196 56.400 0.094 0.000 0.811 779 E CB -0.137 29.713 29.700 0.251 0.000 0.746 779 E HN 0.274 nan 8.360 nan 0.000 0.466 780 Y N 1.339 121.434 120.300 -0.341 0.000 2.133 780 Y HA -0.214 4.329 4.550 -0.012 0.000 0.287 780 Y C 2.173 177.667 175.900 -0.676 0.000 1.134 780 Y CA 0.960 58.533 58.100 -0.878 0.000 1.133 780 Y CB -0.517 37.496 38.460 -0.745 0.000 0.987 780 Y HN -0.217 nan 8.280 nan 0.000 0.502 781 V N 0.418 119.957 119.914 -0.625 0.000 2.343 781 V HA -0.305 3.808 4.120 -0.012 0.000 0.247 781 V C 2.352 178.199 176.094 -0.411 0.000 1.051 781 V CA 2.325 64.272 62.300 -0.588 0.000 1.036 781 V CB -0.649 30.851 31.823 -0.538 0.000 0.654 781 V HN 0.219 nan 8.190 nan 0.000 0.451 782 K N -0.623 119.603 120.400 -0.291 0.000 2.026 782 K HA -0.185 4.128 4.320 -0.012 0.000 0.208 782 K C 2.266 178.759 176.600 -0.178 0.000 1.048 782 K CA 1.824 58.008 56.287 -0.173 0.000 0.929 782 K CB -0.827 31.622 32.500 -0.085 0.000 0.713 782 K HN 0.546 nan 8.250 nan 0.000 0.439 783 C N 0.831 119.997 119.300 -0.223 0.000 2.425 783 C HA -0.077 4.376 4.460 -0.012 0.000 0.277 783 C C 2.473 177.265 174.990 -0.331 0.000 1.280 783 C CA 0.708 59.619 59.018 -0.178 0.000 1.744 783 C CB -0.705 26.960 27.740 -0.125 0.000 1.989 783 C HN 0.470 nan 8.230 nan 0.000 0.491 784 Q N 0.486 119.958 119.800 -0.546 0.000 2.170 784 Q HA -0.179 4.154 4.340 -0.012 0.000 0.203 784 Q C 1.996 177.790 176.000 -0.344 0.000 0.976 784 Q CA 1.681 57.126 55.803 -0.596 0.000 0.858 784 Q CB -0.401 27.739 28.738 -0.997 0.000 0.907 784 Q HN 0.760 nan 8.270 nan 0.000 0.433 785 E N 0.174 120.227 120.200 -0.245 0.000 2.110 785 E HA -0.145 4.198 4.350 -0.012 0.000 0.193 785 E C 2.098 178.639 176.600 -0.097 0.000 0.988 785 E CA 0.615 56.935 56.400 -0.134 0.000 0.804 785 E CB -0.017 29.625 29.700 -0.097 0.000 0.745 785 E HN 0.255 nan 8.360 nan 0.000 0.458 786 R N 0.425 120.865 120.500 -0.100 0.000 2.096 786 R HA -0.098 4.235 4.340 -0.012 0.000 0.235 786 R C 2.423 178.676 176.300 -0.079 0.000 1.127 786 R CA 0.952 57.044 56.100 -0.013 0.000 0.968 786 R CB -0.368 29.986 30.300 0.090 0.000 0.861 786 R HN 0.079 nan 8.270 nan 0.000 0.440 787 V N 0.659 120.343 119.914 -0.383 0.000 2.261 787 V HA -0.256 3.857 4.120 -0.012 0.000 0.246 787 V C 2.227 178.295 176.094 -0.043 0.000 1.047 787 V CA 2.040 64.039 62.300 -0.502 0.000 1.015 787 V CB -0.439 31.008 31.823 -0.627 0.000 0.642 787 V HN 0.289 nan 8.190 nan 0.000 0.446 788 S N 0.010 115.659 115.700 -0.085 0.000 2.382 788 S HA -0.180 4.283 4.470 -0.012 0.000 0.228 788 S C 2.194 176.846 174.600 0.087 0.000 1.027 788 S CA 1.391 59.580 58.200 -0.018 0.000 0.991 788 S CB -0.507 62.655 63.200 -0.064 0.000 0.823 788 S HN 0.656 nan 8.310 nan 0.000 0.469 789 A N 1.401 124.271 122.820 0.084 0.000 1.877 789 A HA -0.009 4.304 4.320 -0.012 0.000 0.216 789 A C 2.092 179.783 177.584 0.180 0.000 1.186 789 A CA 1.098 53.207 52.037 0.119 0.000 0.620 789 A CB -0.722 18.335 19.000 0.096 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.443 790 L N -2.022 119.363 121.223 0.270 0.000 2.093 790 L HA -0.153 4.180 4.340 -0.012 0.000 0.208 790 L C 2.455 179.594 176.870 0.448 0.000 1.085 790 L CA 1.765 56.843 54.840 0.397 0.000 0.755 790 L CB -0.415 41.988 42.059 0.573 0.000 0.904 790 L HN 0.611 nan 8.230 nan 0.000 0.435 791 Y N 0.920 121.341 120.300 0.202 0.000 2.352 791 Y HA -0.234 4.310 4.550 -0.010 0.000 0.292 791 Y C 2.417 178.248 175.900 -0.115 0.000 1.136 791 Y CA 1.468 59.438 58.100 -0.217 0.000 1.227 791 Y CB -0.031 38.089 38.460 -0.568 0.000 0.991 791 Y HN 0.064 nan 8.280 nan 0.000 0.545 792 K N -0.154 120.288 120.400 0.070 0.000 2.360 792 K HA -0.153 4.160 4.320 -0.012 0.000 0.201 792 K C 0.387 176.970 176.600 -0.028 0.000 1.046 792 K CA 0.872 57.181 56.287 0.035 0.000 0.945 792 K CB -0.115 32.446 32.500 0.101 0.000 0.750 792 K HN 0.060 nan 8.250 nan 0.000 0.464 793 N N 0.441 119.141 118.700 0.000 0.000 2.898 793 N HA 0.133 4.866 4.740 -0.012 0.000 0.245 793 N C -2.423 173.089 175.510 0.003 0.000 1.185 793 N CA -2.242 50.813 53.050 0.009 0.000 0.879 793 N CB 1.211 39.736 38.487 0.062 0.000 1.157 793 N HN -0.198 nan 8.380 nan 0.000 0.503 794 P HA -0.176 nan 4.420 nan 0.000 0.216 794 P C 1.376 178.688 177.300 0.019 0.000 1.153 794 P CA 1.120 64.149 63.100 -0.118 0.000 0.858 794 P CB 0.395 31.999 31.700 -0.161 0.000 0.789 795 R N -0.003 120.509 120.500 0.019 0.000 2.081 795 R HA -0.143 4.190 4.340 -0.012 0.000 0.235 795 R C 1.915 178.258 176.300 0.071 0.000 1.131 795 R CA 1.372 57.494 56.100 0.038 0.000 0.960 795 R CB -0.335 29.978 30.300 0.022 0.000 0.856 795 R HN 0.074 nan 8.270 nan 0.000 0.436 796 E N -0.090 120.163 120.200 0.089 0.000 2.158 796 E HA -0.197 4.146 4.350 -0.012 0.000 0.191 796 E C 1.558 178.240 176.600 0.136 0.000 0.982 796 E CA 0.527 56.984 56.400 0.095 0.000 0.823 796 E CB -0.390 29.364 29.700 0.090 0.000 0.766 796 E HN 0.495 nan 8.360 nan 0.000 0.468 797 W N 2.157 123.458 121.300 0.002 0.000 2.333 797 W HA -0.205 4.447 4.660 -0.013 0.000 0.316 797 W C 1.653 178.179 176.519 0.011 0.000 1.215 797 W CA 2.196 59.556 57.345 0.026 0.000 1.278 797 W CB -0.471 28.979 29.460 -0.016 0.000 1.154 797 W HN 0.034 nan 8.180 nan 0.000 0.486 798 T N 1.140 115.833 114.554 0.231 0.000 2.788 798 T HA -0.183 4.160 4.350 -0.012 0.000 0.268 798 T C 1.848 176.559 174.700 0.018 0.000 1.044 798 T CA 1.717 63.883 62.100 0.109 0.000 1.139 798 T CB -0.334 68.585 68.868 0.085 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.354 120.871 120.500 0.028 0.000 2.096 799 R HA 0.083 4.416 4.340 -0.012 0.000 0.235 799 R C 2.506 178.793 176.300 -0.021 0.000 1.127 799 R CA 1.219 57.333 56.100 0.024 0.000 0.968 799 R CB -0.317 30.003 30.300 0.033 0.000 0.861 799 R HN 0.373 nan 8.270 nan 0.000 0.440 800 M N 0.400 119.949 119.600 -0.086 0.000 2.175 800 M HA -0.133 4.340 4.480 -0.012 0.000 0.264 800 M C 1.929 178.115 176.300 -0.190 0.000 1.063 800 M CA 1.339 56.542 55.300 -0.162 0.000 1.119 800 M CB 0.187 32.631 32.600 -0.261 0.000 1.377 800 M HN -0.018 nan 8.290 nan 0.000 0.415 801 V N 1.054 120.836 119.914 -0.220 0.000 2.287 801 V HA -0.330 3.783 4.120 -0.012 0.000 0.248 801 V C 2.220 178.283 176.094 -0.051 0.000 1.053 801 V CA 2.156 64.360 62.300 -0.160 0.000 1.027 801 V CB -0.667 31.092 31.823 -0.106 0.000 0.646 801 V HN 0.513 nan 8.190 nan 0.000 0.447 802 I N -0.660 119.910 120.570 -0.000 0.000 2.264 802 I HA -0.266 3.896 4.170 -0.012 0.000 0.248 802 I C 2.697 178.859 176.117 0.076 0.000 1.111 802 I CA 1.608 62.962 61.300 0.090 0.000 1.382 802 I CB -0.418 37.696 38.000 0.190 0.000 1.060 802 I HN 0.202 nan 8.210 nan 0.000 0.418 803 R N 0.356 120.875 120.500 0.031 0.000 2.148 803 R HA -0.089 4.244 4.340 -0.012 0.000 0.227 803 R C 2.024 178.349 176.300 0.042 0.000 1.103 803 R CA 1.005 57.123 56.100 0.030 0.000 0.983 803 R CB -0.340 29.964 30.300 0.006 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.664 119.372 118.700 0.013 0.000 2.109 804 N HA -0.087 4.646 4.740 -0.012 0.000 0.188 804 N C 1.959 177.517 175.510 0.080 0.000 1.034 804 N CA 1.114 54.189 53.050 0.042 0.000 0.846 804 N CB -0.045 38.402 38.487 -0.067 0.000 1.010 804 N HN 0.107 nan 8.380 nan 0.000 0.425 805 I N 1.671 122.276 120.570 0.058 0.000 2.194 805 I HA -0.262 3.901 4.170 -0.012 0.000 0.246 805 I C 2.440 178.605 176.117 0.079 0.000 1.093 805 I CA 1.047 62.391 61.300 0.073 0.000 1.355 805 I CB -0.344 37.695 38.000 0.065 0.000 1.046 805 I HN 0.107 nan 8.210 nan 0.000 0.413 806 A N 0.284 123.150 122.820 0.075 0.000 2.067 806 A HA -0.150 4.163 4.320 -0.012 0.000 0.219 806 A C 2.109 179.729 177.584 0.060 0.000 1.158 806 A CA 1.989 54.061 52.037 0.059 0.000 0.661 806 A CB -0.822 18.214 19.000 0.060 0.000 0.801 806 A HN 0.545 nan 8.150 nan 0.000 0.452 807 T N -2.947 111.660 114.554 0.088 0.000 3.129 807 T HA 0.155 4.498 4.350 -0.012 0.000 0.267 807 T C 1.220 176.012 174.700 0.153 0.000 1.018 807 T CA 0.664 62.821 62.100 0.096 0.000 0.903 807 T CB -0.185 68.745 68.868 0.104 0.000 1.067 807 T HN 0.490 nan 8.240 nan 0.000 0.549 808 S N 0.307 116.116 115.700 0.181 0.000 2.603 808 S HA 0.237 4.699 4.470 -0.012 0.000 0.220 808 S C 2.183 176.906 174.600 0.205 0.000 0.967 808 S CA 0.275 58.656 58.200 0.301 0.000 0.920 808 S CB -0.688 62.662 63.200 0.249 0.000 0.773 808 S HN 0.526 nan 8.310 nan 0.000 0.529 809 G N 2.647 111.486 108.800 0.066 0.000 2.469 809 G HA2 -0.286 3.667 3.960 -0.012 0.000 0.219 809 G HA3 -0.286 3.667 3.960 -0.012 0.000 0.219 809 G C 1.317 176.155 174.900 -0.103 0.000 1.150 809 G CA 1.006 46.109 45.100 0.007 0.000 0.763 809 G HN 0.611 nan 8.290 nan 0.000 0.561 810 K N -0.170 120.034 120.400 -0.326 0.000 2.281 810 K HA -0.052 4.261 4.320 -0.012 0.000 0.203 810 K C 1.217 177.489 176.600 -0.546 0.000 1.046 810 K CA 0.851 56.805 56.287 -0.556 0.000 0.938 810 K CB -0.266 31.692 32.500 -0.904 0.000 0.737 810 K HN 0.436 nan 8.250 nan 0.000 0.458 811 F N 0.568 120.550 119.950 0.053 0.000 2.645 811 F HA 0.156 4.675 4.527 -0.012 0.000 0.300 811 F C 0.745 176.590 175.800 0.076 0.000 1.115 811 F CA -0.699 57.338 58.000 0.062 0.000 1.355 811 F CB 0.538 39.571 39.000 0.055 0.000 1.026 811 F HN -0.130 nan 8.300 nan 0.000 0.536 812 S N 0.456 116.244 115.700 0.147 0.000 2.531 812 S HA 0.048 4.511 4.470 -0.012 0.000 0.279 812 S C 1.473 176.159 174.600 0.144 0.000 1.305 812 S CA -0.144 58.136 58.200 0.134 0.000 1.058 812 S CB 0.777 64.024 63.200 0.079 0.000 0.899 812 S HN 0.368 nan 8.310 nan 0.000 0.493 813 S N 3.367 119.178 115.700 0.185 0.000 2.500 813 S HA -0.094 4.369 4.470 -0.012 0.000 0.239 813 S C 0.968 175.635 174.600 0.113 0.000 0.989 813 S CA 0.815 59.151 58.200 0.227 0.000 0.951 813 S CB -0.366 63.042 63.200 0.346 0.000 0.759 813 S HN 0.799 nan 8.310 nan 0.000 0.523 814 D N 1.888 122.333 120.400 0.075 0.000 2.117 814 D HA -0.089 4.544 4.640 -0.012 0.000 0.197 814 D C 2.100 178.410 176.300 0.017 0.000 0.987 814 D CA 0.812 54.833 54.000 0.035 0.000 0.829 814 D CB -0.350 40.465 40.800 0.025 0.000 0.961 814 D HN 0.294 nan 8.370 nan 0.000 0.460 815 R N 0.801 121.313 120.500 0.020 0.000 2.070 815 R HA -0.099 4.234 4.340 -0.012 0.000 0.233 815 R C 1.973 178.271 176.300 -0.003 0.000 1.137 815 R CA 1.537 57.634 56.100 -0.005 0.000 0.945 815 R CB -0.840 29.445 30.300 -0.027 0.000 0.845 815 R HN 0.133 nan 8.270 nan 0.000 0.430 816 T N 2.281 116.860 114.554 0.042 0.000 2.635 816 T HA -0.153 4.190 4.350 -0.012 0.000 0.267 816 T C 1.943 176.651 174.700 0.015 0.000 1.040 816 T CA 1.546 63.689 62.100 0.072 0.000 1.156 816 T CB -0.164 68.834 68.868 0.216 0.000 0.863 816 T HN 0.124 nan 8.240 nan 0.000 0.430 817 I N 1.608 122.116 120.570 -0.103 0.000 2.315 817 I HA -0.086 4.077 4.170 -0.012 0.000 0.248 817 I C 2.951 179.028 176.117 -0.067 0.000 1.117 817 I CA 0.986 62.186 61.300 -0.166 0.000 1.404 817 I CB -1.633 36.271 38.000 -0.160 0.000 1.071 817 I HN 0.204 nan 8.210 nan 0.000 0.419 818 A N 0.281 123.080 122.820 -0.035 0.000 1.940 818 A HA -0.251 4.062 4.320 -0.012 0.000 0.219 818 A C 2.255 179.796 177.584 -0.072 0.000 1.176 818 A CA 1.567 53.588 52.037 -0.027 0.000 0.631 818 A CB -0.577 18.413 19.000 -0.016 0.000 0.814 818 A HN 0.518 nan 8.150 nan 0.000 0.446 819 Q N -1.910 117.827 119.800 -0.105 0.000 2.083 819 Q HA -0.160 4.173 4.340 -0.012 0.000 0.198 819 Q C 1.954 177.772 176.000 -0.303 0.000 0.969 819 Q CA 1.615 57.313 55.803 -0.175 0.000 0.838 819 Q CB -0.315 28.313 28.738 -0.183 0.000 0.900 819 Q HN 0.815 nan 8.270 nan 0.000 0.436 820 Y N 0.655 120.654 120.300 -0.501 0.000 2.128 820 Y HA -0.308 4.234 4.550 -0.012 0.000 0.284 820 Y C 2.481 177.786 175.900 -0.991 0.000 1.154 820 Y CA 1.336 58.867 58.100 -0.949 0.000 1.149 820 Y CB -0.466 37.098 38.460 -1.493 0.000 0.976 820 Y HN 0.167 nan 8.280 nan 0.000 0.505 821 A N 0.244 122.831 122.820 -0.388 0.000 1.865 821 A HA -0.231 4.082 4.320 -0.012 0.000 0.217 821 A C 2.241 179.839 177.584 0.024 0.000 1.191 821 A CA 2.113 54.178 52.037 0.047 0.000 0.623 821 A CB -0.567 18.532 19.000 0.165 0.000 0.826 821 A HN 0.438 nan 8.150 nan 0.000 0.444 822 R N -0.764 119.709 120.500 -0.046 0.000 2.093 822 R HA -0.007 4.325 4.340 -0.012 0.000 0.224 822 R C 1.796 178.071 176.300 -0.042 0.000 1.101 822 R CA 1.409 57.495 56.100 -0.023 0.000 0.979 822 R CB -0.150 30.132 30.300 -0.030 0.000 0.877 822 R HN 0.655 nan 8.270 nan 0.000 0.441 823 E N -0.472 119.661 120.200 -0.111 0.000 2.415 823 E HA 0.100 4.443 4.350 -0.012 0.000 0.197 823 E C 1.387 177.934 176.600 -0.088 0.000 1.007 823 E CA 0.424 56.762 56.400 -0.103 0.000 0.890 823 E CB 0.573 30.185 29.700 -0.146 0.000 0.891 823 E HN 0.295 nan 8.360 nan 0.000 0.496 824 I N -1.191 119.294 120.570 -0.141 0.000 3.873 824 I HA 0.028 4.191 4.170 -0.012 0.000 0.284 824 I C 1.297 177.552 176.117 0.230 0.000 1.186 824 I CA -0.060 61.218 61.300 -0.037 0.000 1.362 824 I CB 0.288 38.126 38.000 -0.271 0.000 1.432 824 I HN 0.108 nan 8.210 nan 0.000 0.454 825 W N 1.483 122.872 121.300 0.147 0.000 2.737 825 W HA 0.343 4.996 4.660 -0.012 0.000 0.262 825 W C 1.473 178.028 176.519 0.060 0.000 1.282 825 W CA 0.781 58.197 57.345 0.119 0.000 1.386 825 W CB -0.999 28.520 29.460 0.098 0.000 1.099 825 W HN 0.300 nan 8.180 nan 0.000 0.621 826 G N 1.276 110.215 108.800 0.232 0.000 2.256 826 G HA2 -0.103 3.850 3.960 -0.012 0.000 0.272 826 G HA3 -0.103 3.850 3.960 -0.012 0.000 0.272 826 G C -0.327 174.644 174.900 0.118 0.000 1.076 826 G CA 0.240 45.416 45.100 0.128 0.000 0.882 826 G HN 0.389 nan 8.290 nan 0.000 0.497 827 V N -4.235 115.769 119.914 0.150 0.000 2.962 827 V HA 0.909 5.022 4.120 -0.012 0.000 0.313 827 V C -0.346 175.807 176.094 0.097 0.000 1.099 827 V CA -1.690 60.679 62.300 0.115 0.000 0.971 827 V CB 2.342 34.242 31.823 0.128 0.000 1.028 827 V HN 0.134 nan 8.190 nan 0.000 0.430 828 E N 3.689 123.930 120.200 0.068 0.000 2.146 828 E HA 0.490 4.833 4.350 -0.012 0.000 0.282 828 E C -2.489 174.148 176.600 0.061 0.000 0.989 828 E CA -1.729 54.704 56.400 0.056 0.000 0.799 828 E CB 1.702 31.427 29.700 0.041 0.000 1.088 828 E HN 0.725 nan 8.360 nan 0.000 0.397 829 P HA 0.054 nan 4.420 nan 0.000 0.270 829 P C -0.434 176.896 177.300 0.050 0.000 1.223 829 P CA -0.241 62.894 63.100 0.059 0.000 0.785 829 P CB 0.821 32.552 31.700 0.051 0.000 0.923 830 S N 0.597 116.329 115.700 0.053 0.000 2.572 830 S HA 0.319 4.782 4.470 -0.012 0.000 0.274 830 S C 0.397 175.024 174.600 0.045 0.000 1.150 830 S CA -0.755 57.475 58.200 0.049 0.000 0.944 830 S CB 1.054 64.290 63.200 0.060 0.000 1.071 830 S HN 0.276 nan 8.310 nan 0.000 0.479 831 R N 2.210 122.732 120.500 0.037 0.000 2.317 831 R HA 0.184 4.517 4.340 -0.012 0.000 0.208 831 R C 0.014 176.328 176.300 0.023 0.000 0.914 831 R CA 0.087 56.208 56.100 0.034 0.000 1.060 831 R CB 0.112 30.433 30.300 0.034 0.000 1.015 831 R HN 0.695 nan 8.270 nan 0.000 0.498 832 Q N 1.157 120.970 119.800 0.022 0.000 2.311 832 Q HA 0.081 4.414 4.340 -0.012 0.000 0.272 832 Q C -0.251 175.744 176.000 -0.009 0.000 1.012 832 Q CA 0.159 55.967 55.803 0.009 0.000 0.891 832 Q CB 0.824 29.571 28.738 0.015 0.000 1.201 832 Q HN -0.199 nan 8.270 nan 0.000 0.391 833 R N 1.604 122.090 120.500 -0.024 0.000 2.590 833 R HA 0.166 4.498 4.340 -0.012 0.000 0.274 833 R C -0.378 175.879 176.300 -0.072 0.000 1.061 833 R CA 0.133 56.205 56.100 -0.047 0.000 1.081 833 R CB 0.342 30.614 30.300 -0.047 0.000 0.984 833 R HN 0.494 nan 8.270 nan 0.000 0.448 834 L N 5.532 126.694 121.223 -0.101 0.000 2.375 834 L HA 0.384 4.717 4.340 -0.012 0.000 0.271 834 L C -1.704 175.102 176.870 -0.106 0.000 1.107 834 L CA -2.107 52.640 54.840 -0.154 0.000 0.806 834 L CB 1.168 43.101 42.059 -0.209 0.000 1.146 834 L HN 0.475 nan 8.230 nan 0.000 0.447 835 P HA 0.049 nan 4.420 nan 0.000 0.265 835 P C -0.603 176.667 177.300 -0.050 0.000 1.193 835 P CA -0.176 62.887 63.100 -0.061 0.000 0.765 835 P CB 0.794 32.463 31.700 -0.051 0.000 0.823 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.021 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