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 3mt9_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 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.060 0.000 1.108 13 I N -0.557 120.002 120.570 -0.019 0.000 2.460 13 I HA 0.546 4.708 4.170 -0.014 0.000 0.298 13 I C 0.831 176.949 176.117 0.001 0.000 0.989 13 I CA -0.258 61.039 61.300 -0.005 0.000 1.173 13 I CB 2.031 40.032 38.000 0.002 0.000 1.338 13 I HN 0.171 nan 8.210 nan 0.000 0.456 14 S N 3.496 119.202 115.700 0.009 0.000 2.368 14 S HA -0.143 4.319 4.470 -0.014 0.000 0.225 14 S C 1.772 176.382 174.600 0.017 0.000 1.030 14 S CA 1.899 60.106 58.200 0.012 0.000 0.999 14 S CB -0.493 62.718 63.200 0.019 0.000 0.844 14 S HN 0.768 nan 8.310 nan 0.000 0.459 15 V N 0.113 120.045 119.914 0.029 0.000 2.867 15 V HA 0.064 4.176 4.120 -0.014 0.000 0.260 15 V C 1.956 178.066 176.094 0.027 0.000 1.099 15 V CA 1.441 63.763 62.300 0.036 0.000 1.122 15 V CB -0.998 30.854 31.823 0.049 0.000 0.708 15 V HN 0.365 nan 8.190 nan 0.000 0.490 16 R N 1.289 121.796 120.500 0.012 0.000 2.313 16 R HA 0.401 4.733 4.340 -0.014 0.000 0.199 16 R C 1.177 177.469 176.300 -0.013 0.000 0.958 16 R CA 0.581 56.681 56.100 -0.000 0.000 1.047 16 R CB -0.225 30.071 30.300 -0.007 0.000 0.955 16 R HN 0.797 nan 8.270 nan 0.000 0.481 17 G N 0.453 109.245 108.800 -0.012 0.000 2.685 17 G HA2 -0.215 3.737 3.960 -0.014 0.000 0.387 17 G HA3 -0.215 3.737 3.960 -0.014 0.000 0.387 17 G C -0.959 173.927 174.900 -0.024 0.000 1.324 17 G CA -1.074 44.010 45.100 -0.025 0.000 0.878 17 G HN -0.032 nan 8.290 nan 0.000 0.527 18 L N 0.496 121.702 121.223 -0.028 0.000 2.375 18 L HA 0.667 4.998 4.340 -0.014 0.000 0.271 18 L C 1.256 178.113 176.870 -0.022 0.000 1.107 18 L CA 0.482 55.309 54.840 -0.022 0.000 0.806 18 L CB 1.113 43.160 42.059 -0.020 0.000 1.146 18 L HN 1.585 nan 8.230 nan 0.000 0.447 19 A N 2.423 125.234 122.820 -0.016 0.000 3.150 19 A HA 0.578 4.890 4.320 -0.014 0.000 0.328 19 A C 0.633 178.215 177.584 -0.005 0.000 1.104 19 A CA -0.342 51.688 52.037 -0.012 0.000 0.937 19 A CB -0.254 18.738 19.000 -0.013 0.000 1.073 19 A HN 0.780 nan 8.150 nan 0.000 0.497 20 G N -0.263 108.535 108.800 -0.004 0.000 2.491 20 G HA2 0.348 4.300 3.960 -0.014 0.000 0.238 20 G HA3 0.348 4.300 3.960 -0.014 0.000 0.238 20 G C 1.015 175.920 174.900 0.008 0.000 1.277 20 G CA 0.001 45.102 45.100 0.002 0.000 0.851 20 G HN 0.440 nan 8.290 nan 0.000 0.573 21 V N 1.563 121.482 119.914 0.010 0.000 2.287 21 V HA -0.197 3.915 4.120 -0.014 0.000 0.248 21 V C 2.678 178.782 176.094 0.018 0.000 1.053 21 V CA 2.466 64.774 62.300 0.013 0.000 1.027 21 V CB -0.659 31.170 31.823 0.011 0.000 0.646 21 V HN 0.857 nan 8.190 nan 0.000 0.447 22 E N 0.424 120.635 120.200 0.018 0.000 2.051 22 E HA -0.214 4.128 4.350 -0.014 0.000 0.192 22 E C 2.101 178.722 176.600 0.035 0.000 0.991 22 E CA 1.610 58.024 56.400 0.024 0.000 0.799 22 E CB -0.200 29.514 29.700 0.023 0.000 0.748 22 E HN 0.555 nan 8.360 nan 0.000 0.449 23 N N -0.635 118.085 118.700 0.032 0.000 2.084 23 N HA -0.127 4.605 4.740 -0.014 0.000 0.190 23 N C 1.685 177.221 175.510 0.044 0.000 1.030 23 N CA 1.230 54.305 53.050 0.041 0.000 0.849 23 N CB -0.272 38.225 38.487 0.018 0.000 1.012 23 N HN 0.026 nan 8.380 nan 0.000 0.423 24 V N 0.455 120.386 119.914 0.029 0.000 2.343 24 V HA -0.217 3.895 4.120 -0.014 0.000 0.247 24 V C 2.079 178.195 176.094 0.036 0.000 1.051 24 V CA 1.901 64.218 62.300 0.028 0.000 1.036 24 V CB -0.996 30.839 31.823 0.020 0.000 0.654 24 V HN 0.375 nan 8.190 nan 0.000 0.451 25 T N -0.577 113.998 114.554 0.035 0.000 2.684 25 T HA -0.242 4.100 4.350 -0.014 0.000 0.267 25 T C 1.919 176.651 174.700 0.054 0.000 1.036 25 T CA 1.857 63.979 62.100 0.036 0.000 1.148 25 T CB -0.226 68.659 68.868 0.028 0.000 0.863 25 T HN 0.443 nan 8.240 nan 0.000 0.436 26 E N 1.008 121.248 120.200 0.066 0.000 2.051 26 E HA -0.037 4.305 4.350 -0.014 0.000 0.192 26 E C 2.098 178.775 176.600 0.127 0.000 0.991 26 E CA 0.962 57.415 56.400 0.089 0.000 0.799 26 E CB -0.566 29.193 29.700 0.098 0.000 0.748 26 E HN 0.439 nan 8.360 nan 0.000 0.449 27 L N 0.185 121.492 121.223 0.139 0.000 2.042 27 L HA -0.240 4.092 4.340 -0.014 0.000 0.210 27 L C 2.449 179.429 176.870 0.182 0.000 1.076 27 L CA 1.615 56.561 54.840 0.176 0.000 0.749 27 L CB -0.400 41.734 42.059 0.125 0.000 0.893 27 L HN 0.088 nan 8.230 nan 0.000 0.432 28 K N 0.400 120.866 120.400 0.110 0.000 2.057 28 K HA -0.206 4.106 4.320 -0.014 0.000 0.207 28 K C 2.157 178.853 176.600 0.159 0.000 1.049 28 K CA 1.748 58.089 56.287 0.091 0.000 0.931 28 K CB -0.101 32.413 32.500 0.023 0.000 0.714 28 K HN 0.393 nan 8.250 nan 0.000 0.440 29 K N 0.264 120.739 120.400 0.126 0.000 2.103 29 K HA -0.046 4.266 4.320 -0.014 0.000 0.204 29 K C 1.549 178.229 176.600 0.134 0.000 1.052 29 K CA 1.257 57.612 56.287 0.114 0.000 0.945 29 K CB -0.122 32.421 32.500 0.071 0.000 0.722 29 K HN -0.006 nan 8.250 nan 0.000 0.443 30 N N 0.686 119.476 118.700 0.150 0.000 2.188 30 N HA -0.126 4.606 4.740 -0.014 0.000 0.184 30 N C 1.622 177.269 175.510 0.228 0.000 1.018 30 N CA 0.999 54.130 53.050 0.134 0.000 0.858 30 N CB -0.336 38.245 38.487 0.157 0.000 0.989 30 N HN 0.216 nan 8.380 nan 0.000 0.426 31 F N 2.526 122.571 119.950 0.159 0.000 2.095 31 F HA -0.153 4.366 4.527 -0.013 0.000 0.298 31 F C 2.029 177.926 175.800 0.161 0.000 1.104 31 F CA 1.352 59.461 58.000 0.181 0.000 1.232 31 F CB -0.142 38.937 39.000 0.132 0.000 0.987 31 F HN -0.015 nan 8.300 nan 0.000 0.475 32 N N 0.408 119.338 118.700 0.384 0.000 2.188 32 N HA -0.183 4.549 4.740 -0.014 0.000 0.184 32 N C 2.016 177.600 175.510 0.124 0.000 1.018 32 N CA 1.152 54.349 53.050 0.245 0.000 0.858 32 N CB -0.550 38.053 38.487 0.194 0.000 0.989 32 N HN 0.377 nan 8.380 nan 0.000 0.426 33 R N 0.286 120.854 120.500 0.113 0.000 2.073 33 R HA -0.107 4.225 4.340 -0.014 0.000 0.234 33 R C 1.805 178.180 176.300 0.124 0.000 1.134 33 R CA 1.517 57.707 56.100 0.149 0.000 0.952 33 R CB -0.225 30.108 30.300 0.054 0.000 0.850 33 R HN 0.392 nan 8.270 nan 0.000 0.433 34 H N -0.412 118.699 119.070 0.069 0.000 2.389 34 H HA -0.119 4.429 4.556 -0.014 0.000 0.299 34 H C 1.908 177.161 175.328 -0.126 0.000 1.081 34 H CA 1.380 57.399 56.048 -0.048 0.000 1.345 34 H CB 0.067 29.756 29.762 -0.122 0.000 1.393 34 H HN 0.125 nan 8.280 nan 0.000 0.520 35 L N 0.054 121.250 121.223 -0.046 0.000 2.042 35 L HA -0.211 4.121 4.340 -0.014 0.000 0.210 35 L C 2.206 179.047 176.870 -0.049 0.000 1.076 35 L CA 1.902 56.691 54.840 -0.085 0.000 0.749 35 L CB -0.460 41.576 42.059 -0.039 0.000 0.893 35 L HN 0.313 nan 8.230 nan 0.000 0.432 36 H N -1.708 117.275 119.070 -0.144 0.000 2.266 36 H HA -0.078 4.470 4.556 -0.014 0.000 0.308 36 H C 1.831 176.971 175.328 -0.313 0.000 1.057 36 H CA 2.283 58.153 56.048 -0.297 0.000 1.330 36 H CB -0.345 29.125 29.762 -0.486 0.000 1.400 36 H HN 0.267 nan 8.280 nan 0.000 0.503 37 F N -0.297 119.650 119.950 -0.005 0.000 2.259 37 F HA -0.036 4.482 4.527 -0.014 0.000 0.298 37 F C 2.550 178.286 175.800 -0.107 0.000 1.088 37 F CA 1.409 59.364 58.000 -0.075 0.000 1.358 37 F CB -0.345 38.652 39.000 -0.006 0.000 1.040 37 F HN 0.214 nan 8.300 nan 0.000 0.505 38 T N -0.439 114.151 114.554 0.060 0.000 2.953 38 T HA 0.100 4.442 4.350 -0.014 0.000 0.247 38 T C 1.940 176.535 174.700 -0.176 0.000 1.029 38 T CA 0.710 62.765 62.100 -0.075 0.000 1.144 38 T CB -0.245 68.530 68.868 -0.155 0.000 0.870 38 T HN 0.101 nan 8.240 nan 0.000 0.446 39 L N 1.199 122.316 121.223 -0.176 0.000 2.477 39 L HA 0.197 4.529 4.340 -0.014 0.000 0.220 39 L C 0.325 177.093 176.870 -0.169 0.000 1.106 39 L CA -0.059 54.668 54.840 -0.189 0.000 0.851 39 L CB 0.043 41.996 42.059 -0.176 0.000 0.994 39 L HN -0.020 nan 8.230 nan 0.000 0.462 40 V N 0.379 120.179 119.914 -0.190 0.000 6.078 40 V HA -0.281 3.830 4.120 -0.014 0.000 0.301 40 V C -0.094 175.891 176.094 -0.183 0.000 0.571 40 V CA 1.061 63.225 62.300 -0.226 0.000 0.625 40 V CB -2.260 29.456 31.823 -0.178 0.000 0.271 40 V HN 0.408 nan 8.190 nan 0.000 0.788 41 K N 0.886 121.187 120.400 -0.166 0.000 2.482 41 K HA 0.719 5.031 4.320 -0.014 0.000 0.257 41 K C -0.480 176.088 176.600 -0.053 0.000 0.969 41 K CA -0.510 55.712 56.287 -0.108 0.000 0.842 41 K CB 2.845 35.277 32.500 -0.113 0.000 1.359 41 K HN 0.476 nan 8.250 nan 0.000 0.441 42 D N -0.571 119.820 120.400 -0.015 0.000 2.525 42 D HA 0.306 4.938 4.640 -0.014 0.000 0.249 42 D C 0.697 177.034 176.300 0.061 0.000 1.072 42 D CA -0.663 53.363 54.000 0.042 0.000 1.067 42 D CB 0.788 41.617 40.800 0.048 0.000 1.282 42 D HN 0.116 nan 8.370 nan 0.000 0.587 43 R N -0.107 120.463 120.500 0.117 0.000 2.241 43 R HA -0.020 4.311 4.340 -0.014 0.000 0.224 43 R C 0.866 177.243 176.300 0.128 0.000 1.101 43 R CA 0.552 56.762 56.100 0.184 0.000 0.995 43 R CB -0.723 29.687 30.300 0.183 0.000 0.870 43 R HN 0.509 nan 8.270 nan 0.000 0.463 44 N N 0.190 118.931 118.700 0.069 0.000 2.354 44 N HA -0.080 4.651 4.740 -0.014 0.000 0.179 44 N C 1.696 177.223 175.510 0.028 0.000 1.021 44 N CA 1.335 54.413 53.050 0.047 0.000 0.887 44 N CB 0.194 38.699 38.487 0.030 0.000 0.974 44 N HN 0.239 nan 8.380 nan 0.000 0.437 45 V N -2.729 117.188 119.914 0.004 0.000 3.645 45 V HA 0.512 4.624 4.120 -0.014 0.000 0.275 45 V C 0.866 176.920 176.094 -0.065 0.000 1.356 45 V CA -0.463 61.824 62.300 -0.022 0.000 1.051 45 V CB -0.449 31.357 31.823 -0.028 0.000 0.828 45 V HN 0.059 nan 8.190 nan 0.000 0.441 46 A N 2.589 125.344 122.820 -0.109 0.000 2.520 46 A HA 0.516 4.828 4.320 -0.014 0.000 0.245 46 A C 0.805 178.189 177.584 -0.334 0.000 1.072 46 A CA 0.833 52.688 52.037 -0.302 0.000 0.761 46 A CB -0.346 18.337 19.000 -0.528 0.000 1.004 46 A HN 0.823 nan 8.150 nan 0.000 0.499 47 T N 0.678 115.058 114.554 -0.290 0.000 2.881 47 T HA 0.516 4.858 4.350 -0.014 0.000 0.278 47 T C -1.983 172.616 174.700 -0.169 0.000 0.982 47 T CA -1.674 60.335 62.100 -0.150 0.000 0.989 47 T CB 1.025 69.857 68.868 -0.060 0.000 1.058 47 T HN 0.274 nan 8.240 nan 0.000 0.529 48 P HA -0.085 nan 4.420 nan 0.000 0.217 48 P C 1.605 179.008 177.300 0.171 0.000 1.148 48 P CA 0.932 64.153 63.100 0.203 0.000 0.828 48 P CB 0.034 31.829 31.700 0.159 0.000 0.783 49 R N 0.105 120.656 120.500 0.085 0.000 2.075 49 R HA -0.134 4.198 4.340 -0.014 0.000 0.232 49 R C 1.695 178.152 176.300 0.262 0.000 1.126 49 R CA 1.764 57.948 56.100 0.140 0.000 0.963 49 R CB -0.748 29.572 30.300 0.032 0.000 0.858 49 R HN 0.086 nan 8.270 nan 0.000 0.435 50 D N -0.270 120.180 120.400 0.083 0.000 2.123 50 D HA -0.202 4.430 4.640 -0.014 0.000 0.196 50 D C 1.716 178.041 176.300 0.042 0.000 0.992 50 D CA 1.362 55.368 54.000 0.009 0.000 0.833 50 D CB -0.280 40.388 40.800 -0.220 0.000 0.954 50 D HN 0.310 nan 8.370 nan 0.000 0.455 51 Y N 0.151 120.550 120.300 0.165 0.000 2.181 51 Y HA -0.209 4.333 4.550 -0.013 0.000 0.288 51 Y C 2.339 178.371 175.900 0.220 0.000 1.146 51 Y CA 0.323 58.565 58.100 0.237 0.000 1.164 51 Y CB -1.216 37.438 38.460 0.322 0.000 0.982 51 Y HN 0.087 nan 8.280 nan 0.000 0.515 52 Y N -0.406 120.034 120.300 0.234 0.000 2.097 52 Y HA -0.313 4.229 4.550 -0.014 0.000 0.282 52 Y C 2.055 177.939 175.900 -0.025 0.000 1.152 52 Y CA 1.438 59.575 58.100 0.063 0.000 1.136 52 Y CB -1.192 37.206 38.460 -0.105 0.000 0.975 52 Y HN 0.052 nan 8.280 nan 0.000 0.498 53 F N 0.198 119.946 119.950 -0.337 0.000 2.171 53 F HA -0.173 4.346 4.527 -0.013 0.000 0.300 53 F C 2.644 178.276 175.800 -0.280 0.000 1.090 53 F CA 1.304 59.057 58.000 -0.412 0.000 1.293 53 F CB -0.774 38.133 39.000 -0.155 0.000 1.013 53 F HN 0.219 nan 8.300 nan 0.000 0.486 54 A N -0.235 122.506 122.820 -0.131 0.000 1.902 54 A HA -0.179 4.133 4.320 -0.014 0.000 0.217 54 A C 2.041 179.480 177.584 -0.242 0.000 1.181 54 A CA 1.541 53.365 52.037 -0.355 0.000 0.623 54 A CB -0.957 17.502 19.000 -0.902 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.443 55 L N -0.274 120.921 121.223 -0.047 0.000 2.056 55 L HA 0.012 4.344 4.340 -0.014 0.000 0.207 55 L C 2.661 179.535 176.870 0.007 0.000 1.078 55 L CA 2.123 57.077 54.840 0.189 0.000 0.749 55 L CB -0.955 41.295 42.059 0.318 0.000 0.901 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 A N -1.189 121.477 122.820 -0.258 0.000 1.908 56 A HA -0.287 4.025 4.320 -0.014 0.000 0.218 56 A C 2.143 179.436 177.584 -0.486 0.000 1.181 56 A CA 2.051 53.840 52.037 -0.414 0.000 0.627 56 A CB -1.082 17.381 19.000 -0.894 0.000 0.818 56 A HN 0.667 nan 8.150 nan 0.000 0.445 57 H N -0.764 118.016 119.070 -0.484 0.000 2.389 57 H HA -0.049 4.499 4.556 -0.014 0.000 0.299 57 H C 2.345 177.436 175.328 -0.395 0.000 1.081 57 H CA 1.983 57.664 56.048 -0.611 0.000 1.345 57 H CB -0.289 28.833 29.762 -1.067 0.000 1.393 57 H HN 0.458 nan 8.280 nan 0.000 0.520 58 T N -0.357 114.190 114.554 -0.011 0.000 2.746 58 T HA -0.124 4.218 4.350 -0.014 0.000 0.267 58 T C 2.262 177.141 174.700 0.297 0.000 1.039 58 T CA 1.340 63.606 62.100 0.275 0.000 1.142 58 T CB -0.379 68.698 68.868 0.349 0.000 0.866 58 T HN 0.090 nan 8.240 nan 0.000 0.444 59 V N 2.442 122.489 119.914 0.221 0.000 2.379 59 V HA -0.155 3.956 4.120 -0.014 0.000 0.245 59 V C 2.676 178.942 176.094 0.287 0.000 1.044 59 V CA 1.896 64.356 62.300 0.268 0.000 1.036 59 V CB -0.684 31.289 31.823 0.250 0.000 0.664 59 V HN 0.506 nan 8.190 nan 0.000 0.453 60 R N 0.440 121.044 120.500 0.172 0.000 2.127 60 R HA -0.208 4.124 4.340 -0.014 0.000 0.238 60 R C 1.680 178.064 176.300 0.141 0.000 1.134 60 R CA 2.076 58.271 56.100 0.158 0.000 0.975 60 R CB -0.717 29.502 30.300 -0.134 0.000 0.865 60 R HN 0.381 nan 8.270 nan 0.000 0.447 61 D N 0.731 121.208 120.400 0.128 0.000 2.190 61 D HA -0.166 4.466 4.640 -0.014 0.000 0.200 61 D C 1.682 177.993 176.300 0.018 0.000 0.992 61 D CA 1.169 55.219 54.000 0.084 0.000 0.854 61 D CB -0.382 40.468 40.800 0.084 0.000 0.936 61 D HN 0.498 nan 8.370 nan 0.000 0.462 62 H N -0.329 118.799 119.070 0.097 0.000 2.521 62 H HA 0.044 4.592 4.556 -0.013 0.000 0.286 62 H C 2.148 177.514 175.328 0.063 0.000 1.034 62 H CA 0.357 56.448 56.048 0.072 0.000 1.278 62 H CB 0.345 30.142 29.762 0.059 0.000 1.386 62 H HN 0.207 nan 8.280 nan 0.000 0.567 63 L N -0.185 121.143 121.223 0.175 0.000 2.270 63 L HA -0.080 4.252 4.340 -0.014 0.000 0.210 63 L C 2.487 179.463 176.870 0.177 0.000 1.104 63 L CA 0.133 55.044 54.840 0.118 0.000 0.804 63 L CB -0.010 42.084 42.059 0.059 0.000 0.937 63 L HN 0.029 nan 8.230 nan 0.000 0.450 64 V N 0.305 120.335 119.914 0.192 0.000 2.255 64 V HA -0.242 3.869 4.120 -0.014 0.000 0.247 64 V C 2.626 178.823 176.094 0.173 0.000 1.051 64 V CA 2.198 64.639 62.300 0.235 0.000 1.018 64 V CB -1.239 30.676 31.823 0.153 0.000 0.641 64 V HN 0.562 nan 8.190 nan 0.000 0.445 65 G N -0.375 108.483 108.800 0.097 0.000 2.440 65 G HA2 -0.256 3.696 3.960 -0.014 0.000 0.218 65 G HA3 -0.256 3.696 3.960 -0.014 0.000 0.218 65 G C 1.742 176.683 174.900 0.069 0.000 1.154 65 G CA 0.848 45.983 45.100 0.059 0.000 0.767 65 G HN 0.452 nan 8.290 nan 0.000 0.552 66 R N -1.430 119.120 120.500 0.084 0.000 2.092 66 R HA -0.069 4.263 4.340 -0.014 0.000 0.231 66 R C 2.253 178.629 176.300 0.128 0.000 1.119 66 R CA 1.139 57.278 56.100 0.064 0.000 0.970 66 R CB -0.346 29.976 30.300 0.036 0.000 0.864 66 R HN 0.475 nan 8.270 nan 0.000 0.440 67 W N 1.526 122.801 121.300 -0.042 0.000 2.355 67 W HA -0.070 4.582 4.660 -0.013 0.000 0.309 67 W C 1.711 178.197 176.519 -0.055 0.000 1.206 67 W CA 0.943 58.260 57.345 -0.047 0.000 1.284 67 W CB -0.610 28.840 29.460 -0.017 0.000 1.145 67 W HN -0.038 nan 8.180 nan 0.000 0.502 68 I N 0.912 121.530 120.570 0.079 0.000 2.226 68 I HA -0.337 3.825 4.170 -0.014 0.000 0.245 68 I C 2.711 178.809 176.117 -0.032 0.000 1.100 68 I CA 2.062 63.328 61.300 -0.057 0.000 1.374 68 I CB -0.665 37.304 38.000 -0.051 0.000 1.057 68 I HN -0.021 nan 8.210 nan 0.000 0.413 69 R N 0.494 120.991 120.500 -0.005 0.000 2.148 69 R HA -0.067 4.265 4.340 -0.014 0.000 0.223 69 R C 1.907 178.170 176.300 -0.061 0.000 1.088 69 R CA 1.580 57.667 56.100 -0.021 0.000 0.985 69 R CB -1.018 29.271 30.300 -0.017 0.000 0.880 69 R HN 0.163 nan 8.270 nan 0.000 0.451 70 T N 1.614 116.110 114.554 -0.097 0.000 2.674 70 T HA -0.111 4.231 4.350 -0.014 0.000 0.265 70 T C 1.800 176.242 174.700 -0.431 0.000 1.039 70 T CA 1.407 63.338 62.100 -0.282 0.000 1.150 70 T CB -0.139 68.593 68.868 -0.226 0.000 0.864 70 T HN 0.264 nan 8.240 nan 0.000 0.427 71 Q N 0.811 120.500 119.800 -0.185 0.000 2.124 71 Q HA -0.095 4.237 4.340 -0.014 0.000 0.202 71 Q C 2.351 178.367 176.000 0.027 0.000 0.977 71 Q CA 1.305 57.074 55.803 -0.056 0.000 0.850 71 Q CB -0.510 28.226 28.738 -0.004 0.000 0.901 71 Q HN 0.500 nan 8.270 nan 0.000 0.429 72 Q N 0.123 119.926 119.800 0.005 0.000 2.084 72 Q HA -0.192 4.140 4.340 -0.014 0.000 0.202 72 Q C 1.931 178.013 176.000 0.137 0.000 0.978 72 Q CA 1.899 57.746 55.803 0.073 0.000 0.844 72 Q CB -0.353 28.407 28.738 0.036 0.000 0.898 72 Q HN 0.558 nan 8.270 nan 0.000 0.426 73 H N -1.090 117.953 119.070 -0.045 0.000 2.319 73 H HA -0.197 4.351 4.556 -0.013 0.000 0.297 73 H C 1.210 176.602 175.328 0.107 0.000 1.097 73 H CA 2.357 58.389 56.048 -0.027 0.000 1.285 73 H CB -0.295 29.383 29.762 -0.140 0.000 1.368 73 H HN 0.370 nan 8.280 nan 0.000 0.495 74 Y N -1.109 119.250 120.300 0.099 0.000 2.274 74 Y HA -0.185 4.357 4.550 -0.014 0.000 0.290 74 Y C 2.420 178.356 175.900 0.061 0.000 1.145 74 Y CA 1.007 59.135 58.100 0.047 0.000 1.203 74 Y CB -1.306 37.234 38.460 0.133 0.000 0.984 74 Y HN 0.375 nan 8.280 nan 0.000 0.533 75 Y N 1.229 121.613 120.300 0.140 0.000 2.200 75 Y HA -0.163 4.379 4.550 -0.014 0.000 0.290 75 Y C 2.101 178.011 175.900 0.015 0.000 1.137 75 Y CA 1.691 59.834 58.100 0.073 0.000 1.163 75 Y CB -0.004 38.490 38.460 0.058 0.000 0.988 75 Y HN 0.008 nan 8.280 nan 0.000 0.518 76 E N 0.349 120.559 120.200 0.017 0.000 2.072 76 E HA -0.141 4.201 4.350 -0.014 0.000 0.190 76 E C 1.980 178.490 176.600 -0.149 0.000 0.982 76 E CA 1.164 57.512 56.400 -0.087 0.000 0.803 76 E CB -0.224 29.474 29.700 -0.002 0.000 0.755 76 E HN 0.500 nan 8.360 nan 0.000 0.453 77 K N 0.571 120.864 120.400 -0.178 0.000 2.305 77 K HA -0.069 4.243 4.320 -0.014 0.000 0.199 77 K C -0.043 176.490 176.600 -0.113 0.000 1.047 77 K CA 0.403 56.587 56.287 -0.173 0.000 0.976 77 K CB 0.062 32.390 32.500 -0.285 0.000 0.765 77 K HN -0.029 nan 8.250 nan 0.000 0.474 78 D N 1.067 121.410 120.400 -0.095 0.000 2.735 78 D HA -0.100 4.532 4.640 -0.014 0.000 0.235 78 D C -2.440 173.827 176.300 -0.055 0.000 1.175 78 D CA 0.082 54.035 54.000 -0.078 0.000 0.683 78 D CB -0.106 40.618 40.800 -0.126 0.000 1.008 78 D HN 0.170 nan 8.370 nan 0.000 0.416 79 P HA 0.097 nan 4.420 nan 0.000 0.274 79 P C -0.114 177.143 177.300 -0.072 0.000 1.256 79 P CA -0.544 62.520 63.100 -0.060 0.000 0.795 79 P CB 0.604 32.258 31.700 -0.078 0.000 1.038 80 K N 1.075 121.437 120.400 -0.063 0.000 2.451 80 K HA 0.031 4.343 4.320 -0.014 0.000 0.280 80 K C -0.040 176.474 176.600 -0.144 0.000 1.020 80 K CA 0.139 56.382 56.287 -0.074 0.000 1.008 80 K CB 0.174 32.648 32.500 -0.043 0.000 0.917 80 K HN 0.272 nan 8.250 nan 0.000 0.478 81 R N 3.690 124.088 120.500 -0.170 0.000 2.407 81 R HA 0.357 4.689 4.340 -0.014 0.000 0.303 81 R C -0.572 175.447 176.300 -0.468 0.000 0.981 81 R CA -0.605 55.307 56.100 -0.312 0.000 0.905 81 R CB 0.928 31.045 30.300 -0.305 0.000 1.099 81 R HN 0.489 nan 8.270 nan 0.000 0.459 82 I N 4.088 124.324 120.570 -0.556 0.000 2.339 82 I HA 0.219 4.381 4.170 -0.014 0.000 0.290 82 I C -0.674 175.119 176.117 -0.541 0.000 0.994 82 I CA -0.811 60.118 61.300 -0.617 0.000 1.191 82 I CB 0.830 38.343 38.000 -0.811 0.000 1.343 82 I HN 0.540 nan 8.210 nan 0.000 0.458 83 Y N 5.811 126.071 120.300 -0.068 0.000 2.356 83 Y HA 0.293 4.835 4.550 -0.013 0.000 0.334 83 Y C -0.279 175.719 175.900 0.164 0.000 0.958 83 Y CA -0.717 57.465 58.100 0.137 0.000 1.196 83 Y CB 1.118 39.620 38.460 0.069 0.000 1.137 83 Y HN 0.407 nan 8.280 nan 0.000 0.485 84 Y N 4.571 125.044 120.300 0.288 0.000 2.518 84 Y HA 0.467 5.009 4.550 -0.013 0.000 0.344 84 Y C -1.210 174.955 175.900 0.442 0.000 0.982 84 Y CA -0.881 57.402 58.100 0.304 0.000 1.234 84 Y CB 0.263 38.903 38.460 0.299 0.000 1.114 84 Y HN 0.511 nan 8.280 nan 0.000 0.515 85 L N 5.057 126.344 121.223 0.105 0.000 2.265 85 L HA 0.473 4.804 4.340 -0.014 0.000 0.288 85 L C -0.175 176.736 176.870 0.068 0.000 1.058 85 L CA 0.147 55.110 54.840 0.205 0.000 0.809 85 L CB 1.332 43.471 42.059 0.134 0.000 1.179 85 L HN 0.564 nan 8.230 nan 0.000 0.429 86 S N 2.327 118.156 115.700 0.214 0.000 2.541 86 S HA 0.527 4.989 4.470 -0.014 0.000 0.271 86 S C 0.302 175.014 174.600 0.186 0.000 1.133 86 S CA -0.511 57.710 58.200 0.034 0.000 0.876 86 S CB 1.081 64.060 63.200 -0.368 0.000 1.105 86 S HN 0.478 nan 8.310 nan 0.000 0.470 87 L N 2.587 123.945 121.223 0.225 0.000 2.591 87 L HA 0.430 4.762 4.340 -0.014 0.000 0.228 87 L C 0.299 177.374 176.870 0.340 0.000 1.133 87 L CA 0.938 55.975 54.840 0.328 0.000 0.880 87 L CB -0.039 42.225 42.059 0.341 0.000 1.033 87 L HN 0.631 nan 8.230 nan 0.000 0.450 88 E N -1.116 119.155 120.200 0.119 0.000 2.263 88 E HA 0.387 4.729 4.350 -0.014 0.000 0.268 88 E C -1.396 175.079 176.600 -0.208 0.000 0.884 88 E CA -0.405 56.043 56.400 0.080 0.000 0.766 88 E CB 1.762 31.490 29.700 0.046 0.000 1.196 88 E HN -0.157 nan 8.360 nan 0.000 0.416 89 F N 2.309 122.368 119.950 0.183 0.000 2.610 89 F HA 0.189 4.708 4.527 -0.014 0.000 0.355 89 F C -0.779 175.104 175.800 0.139 0.000 1.140 89 F CA -0.787 57.306 58.000 0.154 0.000 1.037 89 F CB 0.948 40.030 39.000 0.136 0.000 1.287 89 F HN 0.484 nan 8.300 nan 0.000 0.457 90 Y N 5.288 125.658 120.300 0.117 0.000 2.714 90 Y HA 0.236 4.778 4.550 -0.013 0.000 0.333 90 Y C 0.858 176.774 175.900 0.026 0.000 1.220 90 Y CA -1.090 57.030 58.100 0.033 0.000 1.513 90 Y CB 0.379 38.840 38.460 0.002 0.000 1.435 90 Y HN 0.553 nan 8.280 nan 0.000 0.489 91 M N 1.648 121.397 119.600 0.248 0.000 2.334 91 M HA 0.126 4.598 4.480 -0.014 0.000 0.266 91 M C 1.576 177.859 176.300 -0.029 0.000 1.082 91 M CA 1.051 56.395 55.300 0.073 0.000 1.141 91 M CB -1.195 31.421 32.600 0.026 0.000 1.380 91 M HN 0.708 nan 8.290 nan 0.000 0.440 92 G N 1.281 110.084 108.800 0.005 0.000 2.552 92 G HA2 -0.282 3.670 3.960 -0.014 0.000 0.265 92 G HA3 -0.282 3.670 3.960 -0.014 0.000 0.265 92 G C -0.215 174.641 174.900 -0.074 0.000 1.234 92 G CA -0.244 44.813 45.100 -0.072 0.000 0.944 92 G HN 0.440 nan 8.290 nan 0.000 0.568 93 R N -0.674 119.759 120.500 -0.112 0.000 2.531 93 R HA 0.576 4.908 4.340 -0.014 0.000 0.273 93 R C 1.082 177.251 176.300 -0.217 0.000 1.070 93 R CA 0.298 56.335 56.100 -0.104 0.000 1.112 93 R CB 0.790 31.038 30.300 -0.087 0.000 1.049 93 R HN 0.515 nan 8.270 nan 0.000 0.508 94 T N 1.214 115.575 114.554 -0.322 0.000 2.969 94 T HA -0.007 4.335 4.350 -0.014 0.000 0.250 94 T C 1.422 175.706 174.700 -0.693 0.000 1.021 94 T CA -0.116 61.574 62.100 -0.684 0.000 1.003 94 T CB 0.143 68.217 68.868 -1.324 0.000 1.040 94 T HN 0.325 nan 8.240 nan 0.000 0.492 95 L N 1.875 122.915 121.223 -0.305 0.000 1.976 95 L HA -0.019 4.313 4.340 -0.014 0.000 0.209 95 L C 2.466 179.292 176.870 -0.075 0.000 1.071 95 L CA 2.004 56.834 54.840 -0.017 0.000 0.746 95 L CB -0.656 41.611 42.059 0.347 0.000 0.890 95 L HN 0.169 nan 8.230 nan 0.000 0.432 96 Q N -0.675 119.081 119.800 -0.074 0.000 2.084 96 Q HA -0.258 4.074 4.340 -0.014 0.000 0.202 96 Q C 2.245 178.166 176.000 -0.132 0.000 0.978 96 Q CA 1.882 57.636 55.803 -0.081 0.000 0.844 96 Q CB -0.328 28.360 28.738 -0.082 0.000 0.898 96 Q HN 0.706 nan 8.270 nan 0.000 0.426 97 N N -0.993 117.587 118.700 -0.200 0.000 2.094 97 N HA -0.165 4.567 4.740 -0.014 0.000 0.191 97 N C 1.384 176.781 175.510 -0.189 0.000 1.023 97 N CA 1.882 54.805 53.050 -0.211 0.000 0.857 97 N CB 0.035 38.361 38.487 -0.267 0.000 1.013 97 N HN 0.233 nan 8.380 nan 0.000 0.426 98 T N 1.285 115.693 114.554 -0.244 0.000 2.777 98 T HA -0.069 4.273 4.350 -0.014 0.000 0.266 98 T C 2.072 176.709 174.700 -0.105 0.000 1.040 98 T CA 1.125 63.106 62.100 -0.200 0.000 1.141 98 T CB -0.094 68.621 68.868 -0.255 0.000 0.868 98 T HN 0.271 nan 8.240 nan 0.000 0.444 99 M N 0.595 120.148 119.600 -0.077 0.000 2.117 99 M HA -0.095 4.377 4.480 -0.014 0.000 0.262 99 M C 2.488 178.753 176.300 -0.058 0.000 1.065 99 M CA 1.263 56.531 55.300 -0.053 0.000 1.114 99 M CB -0.674 31.910 32.600 -0.027 0.000 1.361 99 M HN 0.098 nan 8.290 nan 0.000 0.408 100 V N 0.959 120.844 119.914 -0.049 0.000 2.255 100 V HA -0.284 3.828 4.120 -0.014 0.000 0.247 100 V C 1.785 177.888 176.094 0.015 0.000 1.051 100 V CA 2.049 64.347 62.300 -0.003 0.000 1.018 100 V CB -0.878 30.945 31.823 -0.000 0.000 0.641 100 V HN 0.474 nan 8.190 nan 0.000 0.445 101 N N -0.429 118.265 118.700 -0.011 0.000 2.396 101 N HA -0.045 4.687 4.740 -0.014 0.000 0.180 101 N C 1.087 176.500 175.510 -0.161 0.000 1.028 101 N CA 0.710 53.737 53.050 -0.039 0.000 0.893 101 N CB -0.113 38.357 38.487 -0.029 0.000 0.967 101 N HN 0.281 nan 8.380 nan 0.000 0.440 102 L N -0.321 120.825 121.223 -0.128 0.000 2.640 102 L HA 0.402 4.734 4.340 -0.014 0.000 0.230 102 L C 0.614 177.400 176.870 -0.140 0.000 1.123 102 L CA -0.186 54.577 54.840 -0.128 0.000 0.900 102 L CB -0.719 41.287 42.059 -0.088 0.000 1.146 102 L HN 0.111 nan 8.230 nan 0.000 0.484 103 A N -0.654 122.080 122.820 -0.143 0.000 2.869 103 A HA -0.212 4.100 4.320 -0.014 0.000 0.280 103 A C 1.044 178.572 177.584 -0.094 0.000 1.458 103 A CA 0.920 52.885 52.037 -0.119 0.000 0.776 103 A CB -1.969 16.946 19.000 -0.142 0.000 1.028 103 A HN 0.201 nan 8.150 nan 0.000 0.547 104 L N -0.696 120.471 121.223 -0.093 0.000 2.693 104 L HA 0.257 4.589 4.340 -0.014 0.000 0.235 104 L C 1.815 178.648 176.870 -0.062 0.000 1.127 104 L CA 1.516 56.295 54.840 -0.101 0.000 0.914 104 L CB -0.337 41.630 42.059 -0.153 0.000 1.193 104 L HN 0.624 nan 8.230 nan 0.000 0.502 105 E N -0.222 119.951 120.200 -0.044 0.000 2.051 105 E HA -0.216 4.126 4.350 -0.014 0.000 0.192 105 E C 1.518 178.106 176.600 -0.021 0.000 0.991 105 E CA 1.202 57.587 56.400 -0.025 0.000 0.799 105 E CB 0.317 30.004 29.700 -0.021 0.000 0.748 105 E HN 0.411 nan 8.360 nan 0.000 0.449 106 N N 0.120 118.805 118.700 -0.025 0.000 2.142 106 N HA -0.104 4.627 4.740 -0.014 0.000 0.186 106 N C 1.580 177.077 175.510 -0.020 0.000 1.023 106 N CA 1.158 54.194 53.050 -0.024 0.000 0.852 106 N CB -0.338 38.134 38.487 -0.025 0.000 0.998 106 N HN 0.187 nan 8.380 nan 0.000 0.424 107 A N 0.482 123.288 122.820 -0.024 0.000 1.883 107 A HA -0.159 4.153 4.320 -0.014 0.000 0.217 107 A C 2.656 180.235 177.584 -0.008 0.000 1.186 107 A CA 1.405 53.431 52.037 -0.018 0.000 0.624 107 A CB -1.032 17.948 19.000 -0.033 0.000 0.822 107 A HN 0.438 nan 8.150 nan 0.000 0.444 108 C N -0.914 118.380 119.300 -0.008 0.000 2.440 108 C HA -0.061 4.391 4.460 -0.014 0.000 0.278 108 C C 2.475 177.472 174.990 0.012 0.000 1.295 108 C CA 1.048 60.073 59.018 0.012 0.000 1.738 108 C CB -1.095 26.662 27.740 0.029 0.000 1.987 108 C HN 0.678 nan 8.230 nan 0.000 0.492 109 D N 0.706 121.110 120.400 0.007 0.000 2.097 109 D HA -0.143 4.489 4.640 -0.014 0.000 0.195 109 D C 2.129 178.447 176.300 0.030 0.000 0.989 109 D CA 1.506 55.512 54.000 0.011 0.000 0.827 109 D CB -0.260 40.534 40.800 -0.010 0.000 0.966 109 D HN 0.458 nan 8.370 nan 0.000 0.456 110 E N 0.343 120.555 120.200 0.019 0.000 2.051 110 E HA -0.073 4.269 4.350 -0.014 0.000 0.192 110 E C 1.895 178.535 176.600 0.067 0.000 0.991 110 E CA 1.657 58.089 56.400 0.054 0.000 0.799 110 E CB -0.584 29.131 29.700 0.024 0.000 0.748 110 E HN 0.208 nan 8.360 nan 0.000 0.449 111 A N -0.131 122.696 122.820 0.013 0.000 1.883 111 A HA -0.225 4.086 4.320 -0.014 0.000 0.217 111 A C 2.491 180.006 177.584 -0.115 0.000 1.186 111 A CA 2.943 54.961 52.037 -0.032 0.000 0.624 111 A CB -1.466 17.522 19.000 -0.020 0.000 0.822 111 A HN 0.525 nan 8.150 nan 0.000 0.444 112 T N -3.599 110.884 114.554 -0.118 0.000 2.777 112 T HA -0.214 4.128 4.350 -0.014 0.000 0.266 112 T C 1.859 176.480 174.700 -0.133 0.000 1.040 112 T CA 1.491 63.463 62.100 -0.214 0.000 1.141 112 T CB -0.643 68.142 68.868 -0.139 0.000 0.868 112 T HN 0.451 nan 8.240 nan 0.000 0.444 113 Y N 2.365 122.588 120.300 -0.129 0.000 2.114 113 Y HA -0.178 4.364 4.550 -0.013 0.000 0.282 113 Y C 2.629 178.467 175.900 -0.103 0.000 1.165 113 Y CA 1.756 59.797 58.100 -0.097 0.000 1.148 113 Y CB -0.610 37.812 38.460 -0.063 0.000 0.972 113 Y HN 0.263 nan 8.280 nan 0.000 0.504 114 Q N -1.019 118.687 119.800 -0.156 0.000 2.291 114 Q HA -0.119 4.213 4.340 -0.014 0.000 0.205 114 Q C 1.500 177.358 176.000 -0.236 0.000 0.970 114 Q CA 0.845 56.519 55.803 -0.215 0.000 0.876 114 Q CB -0.070 28.626 28.738 -0.071 0.000 0.935 114 Q HN 0.353 nan 8.270 nan 0.000 0.455 115 L N -0.926 120.142 121.223 -0.259 0.000 2.591 115 L HA 0.147 4.479 4.340 -0.014 0.000 0.228 115 L C 1.127 177.821 176.870 -0.292 0.000 1.133 115 L CA 1.186 55.855 54.840 -0.285 0.000 0.880 115 L CB -0.316 41.481 42.059 -0.436 0.000 1.033 115 L HN 0.312 nan 8.230 nan 0.000 0.450 116 G N -0.292 108.323 108.800 -0.308 0.000 2.149 116 G HA2 -0.243 3.709 3.960 -0.014 0.000 0.235 116 G HA3 -0.243 3.709 3.960 -0.014 0.000 0.235 116 G C 0.091 174.853 174.900 -0.230 0.000 1.018 116 G CA 0.246 45.182 45.100 -0.273 0.000 0.728 116 G HN 0.278 nan 8.290 nan 0.000 0.508 117 L N -0.232 120.852 121.223 -0.232 0.000 2.354 117 L HA 0.617 4.949 4.340 -0.014 0.000 0.269 117 L C -0.596 176.241 176.870 -0.056 0.000 1.005 117 L CA -1.156 53.577 54.840 -0.178 0.000 0.819 117 L CB 1.928 43.812 42.059 -0.290 0.000 1.311 117 L HN 0.096 nan 8.230 nan 0.000 0.423 118 D N 1.885 122.283 120.400 -0.003 0.000 2.359 118 D HA 0.198 4.830 4.640 -0.014 0.000 0.230 118 D C 0.661 176.992 176.300 0.052 0.000 1.118 118 D CA -0.245 53.782 54.000 0.045 0.000 0.844 118 D CB 1.470 42.302 40.800 0.054 0.000 1.059 118 D HN 0.487 nan 8.370 nan 0.000 0.493 119 M N 2.998 122.630 119.600 0.053 0.000 2.149 119 M HA -0.149 4.323 4.480 -0.014 0.000 0.261 119 M C 1.333 177.677 176.300 0.074 0.000 1.064 119 M CA 1.575 56.916 55.300 0.068 0.000 1.102 119 M CB 0.172 32.805 32.600 0.056 0.000 1.369 119 M HN 0.451 nan 8.290 nan 0.000 0.408 120 E N -0.267 119.967 120.200 0.056 0.000 2.153 120 E HA -0.256 4.086 4.350 -0.014 0.000 0.194 120 E C 1.859 178.494 176.600 0.057 0.000 0.988 120 E CA 1.380 57.810 56.400 0.050 0.000 0.811 120 E CB -0.170 29.556 29.700 0.042 0.000 0.746 120 E HN 0.642 nan 8.360 nan 0.000 0.466 121 E N 0.470 120.710 120.200 0.066 0.000 2.072 121 E HA -0.190 4.152 4.350 -0.014 0.000 0.191 121 E C 1.967 178.612 176.600 0.076 0.000 0.985 121 E CA 0.557 56.998 56.400 0.068 0.000 0.801 121 E CB 0.180 29.923 29.700 0.071 0.000 0.750 121 E HN 0.080 nan 8.360 nan 0.000 0.452 122 L N 1.603 122.892 121.223 0.111 0.000 2.046 122 L HA -0.159 4.173 4.340 -0.014 0.000 0.208 122 L C 2.125 179.063 176.870 0.113 0.000 1.077 122 L CA 1.676 56.616 54.840 0.167 0.000 0.747 122 L CB -0.947 41.261 42.059 0.248 0.000 0.896 122 L HN 0.166 nan 8.230 nan 0.000 0.432 123 E N -0.659 119.597 120.200 0.094 0.000 2.118 123 E HA -0.216 4.125 4.350 -0.014 0.000 0.195 123 E C 1.860 178.425 176.600 -0.060 0.000 0.992 123 E CA 0.932 57.356 56.400 0.040 0.000 0.804 123 E CB -0.004 29.721 29.700 0.041 0.000 0.741 123 E HN 0.416 nan 8.360 nan 0.000 0.458 124 E N 0.214 120.394 120.200 -0.033 0.000 2.338 124 E HA -0.121 4.220 4.350 -0.014 0.000 0.197 124 E C 1.859 178.397 176.600 -0.103 0.000 1.007 124 E CA 0.578 56.958 56.400 -0.034 0.000 0.849 124 E CB 0.012 29.729 29.700 0.028 0.000 0.774 124 E HN 0.407 nan 8.360 nan 0.000 0.506 125 I N 0.811 121.254 120.570 -0.211 0.000 2.617 125 I HA -0.107 4.055 4.170 -0.014 0.000 0.256 125 I C 1.369 177.175 176.117 -0.518 0.000 1.167 125 I CA 0.238 61.343 61.300 -0.323 0.000 1.469 125 I CB 0.117 37.932 38.000 -0.309 0.000 1.098 125 I HN -0.030 nan 8.210 nan 0.000 0.436 126 E N 2.786 122.555 120.200 -0.718 0.000 2.415 126 E HA -0.038 4.304 4.350 -0.014 0.000 0.263 126 E C -0.263 176.247 176.600 -0.150 0.000 0.995 126 E CA -0.275 55.775 56.400 -0.584 0.000 0.915 126 E CB 0.601 30.075 29.700 -0.376 0.000 0.951 126 E HN 0.111 nan 8.360 nan 0.000 0.449 127 E N 3.609 123.821 120.200 0.019 0.000 2.373 127 E HA 0.044 4.386 4.350 -0.014 0.000 0.267 127 E C -0.687 176.010 176.600 0.162 0.000 1.032 127 E CA -0.172 56.321 56.400 0.154 0.000 0.889 127 E CB 0.516 30.408 29.700 0.321 0.000 0.984 127 E HN 0.473 nan 8.360 nan 0.000 0.425 128 D N 0.882 121.350 120.400 0.113 0.000 2.455 128 D HA 0.136 4.768 4.640 -0.014 0.000 0.241 128 D C -0.262 176.061 176.300 0.039 0.000 1.138 128 D CA 0.225 54.268 54.000 0.072 0.000 0.877 128 D CB 0.511 41.349 40.800 0.065 0.000 1.187 128 D HN 0.407 nan 8.370 nan 0.000 0.451 129 A N 2.596 125.391 122.820 -0.041 0.000 2.544 129 A HA 0.454 4.766 4.320 -0.014 0.000 0.301 129 A C 1.074 178.483 177.584 -0.292 0.000 1.368 129 A CA -0.293 51.496 52.037 -0.414 0.000 1.045 129 A CB -0.240 18.600 19.000 -0.266 0.000 1.129 129 A HN 0.551 nan 8.150 nan 0.000 0.540 130 G N 2.305 110.843 108.800 -0.437 0.000 3.943 130 G HA2 0.426 4.377 3.960 -0.014 0.000 0.275 130 G HA3 0.426 4.377 3.960 -0.014 0.000 0.275 130 G C 0.284 174.864 174.900 -0.532 0.000 1.234 130 G CA -0.317 44.568 45.100 -0.359 0.000 1.522 130 G HN 0.696 nan 8.290 nan 0.000 0.636 131 L N 1.296 122.293 121.223 -0.377 0.000 2.862 131 L HA 0.390 4.722 4.340 -0.014 0.000 0.240 131 L C 1.017 177.810 176.870 -0.128 0.000 1.283 131 L CA -0.213 54.541 54.840 -0.142 0.000 1.117 131 L CB -0.247 41.862 42.059 0.083 0.000 1.444 131 L HN 0.321 nan 8.230 nan 0.000 0.456 132 G N -1.338 107.162 108.800 -0.500 0.000 2.660 132 G HA2 0.193 4.144 3.960 -0.014 0.000 0.290 132 G HA3 0.193 4.144 3.960 -0.014 0.000 0.290 132 G C -0.146 174.412 174.900 -0.571 0.000 1.432 132 G CA -0.454 44.408 45.100 -0.396 0.000 0.807 132 G HN -0.106 nan 8.290 nan 0.000 0.485 133 N N -0.750 117.831 118.700 -0.198 0.000 2.368 133 N HA 0.192 4.924 4.740 -0.014 0.000 0.178 133 N C 1.176 176.744 175.510 0.097 0.000 1.021 133 N CA 1.383 54.385 53.050 -0.080 0.000 0.875 133 N CB 1.035 39.548 38.487 0.042 0.000 1.020 133 N HN 0.830 nan 8.380 nan 0.000 0.433 134 G N -0.819 108.104 108.800 0.205 0.000 2.725 134 G HA2 0.202 4.154 3.960 -0.014 0.000 0.098 134 G HA3 0.202 4.154 3.960 -0.014 0.000 0.098 134 G C 0.678 175.687 174.900 0.181 0.000 1.188 134 G CA 0.231 45.479 45.100 0.248 0.000 1.237 134 G HN 0.160 nan 8.290 nan 0.000 0.596 135 G N 0.319 109.181 108.800 0.104 0.000 2.418 135 G HA2 -0.012 3.940 3.960 -0.014 0.000 0.217 135 G HA3 -0.012 3.940 3.960 -0.014 0.000 0.217 135 G C 1.873 176.769 174.900 -0.007 0.000 1.158 135 G CA 1.455 46.577 45.100 0.038 0.000 0.771 135 G HN 0.783 nan 8.290 nan 0.000 0.545 136 L N 0.618 121.822 121.223 -0.032 0.000 2.046 136 L HA 0.108 4.439 4.340 -0.014 0.000 0.208 136 L C 2.805 179.609 176.870 -0.109 0.000 1.077 136 L CA 1.953 56.690 54.840 -0.173 0.000 0.747 136 L CB -0.576 41.333 42.059 -0.250 0.000 0.896 136 L HN 0.223 nan 8.230 nan 0.000 0.432 137 G N -0.687 108.113 108.800 -0.000 0.000 2.402 137 G HA2 -0.242 3.710 3.960 -0.014 0.000 0.216 137 G HA3 -0.242 3.710 3.960 -0.014 0.000 0.216 137 G C 1.747 176.712 174.900 0.107 0.000 1.162 137 G CA 0.366 45.496 45.100 0.049 0.000 0.777 137 G HN 0.235 nan 8.290 nan 0.000 0.539 138 R N -0.338 120.239 120.500 0.128 0.000 2.148 138 R HA 0.106 4.438 4.340 -0.014 0.000 0.223 138 R C 2.476 178.770 176.300 -0.010 0.000 1.088 138 R CA 0.549 56.698 56.100 0.081 0.000 0.985 138 R CB -0.471 29.838 30.300 0.016 0.000 0.880 138 R HN 0.398 nan 8.270 nan 0.000 0.451 139 L N 0.885 122.036 121.223 -0.119 0.000 2.012 139 L HA -0.152 4.180 4.340 -0.014 0.000 0.210 139 L C 2.298 178.879 176.870 -0.482 0.000 1.073 139 L CA 2.193 56.819 54.840 -0.357 0.000 0.748 139 L CB -0.672 41.149 42.059 -0.397 0.000 0.891 139 L HN 0.144 nan 8.230 nan 0.000 0.431 140 A N -0.643 122.028 122.820 -0.248 0.000 1.917 140 A HA -0.208 4.104 4.320 -0.014 0.000 0.219 140 A C 2.443 180.071 177.584 0.072 0.000 1.182 140 A CA 2.145 54.102 52.037 -0.133 0.000 0.633 140 A CB -1.233 17.639 19.000 -0.215 0.000 0.819 140 A HN 0.594 nan 8.150 nan 0.000 0.448 141 A N -1.118 121.783 122.820 0.135 0.000 1.873 141 A HA -0.158 4.154 4.320 -0.014 0.000 0.215 141 A C 2.328 179.984 177.584 0.121 0.000 1.186 141 A CA 1.651 53.796 52.037 0.180 0.000 0.616 141 A CB -1.303 17.791 19.000 0.157 0.000 0.823 141 A HN 0.611 nan 8.150 nan 0.000 0.442 142 C N -1.460 117.908 119.300 0.113 0.000 2.429 142 C HA -0.086 4.366 4.460 -0.014 0.000 0.277 142 C C 2.435 177.586 174.990 0.269 0.000 1.262 142 C CA 0.701 59.826 59.018 0.178 0.000 1.733 142 C CB -1.633 26.227 27.740 0.200 0.000 2.010 142 C HN 0.605 nan 8.230 nan 0.000 0.483 143 F N 1.154 121.085 119.950 -0.032 0.000 2.134 143 F HA -0.073 4.446 4.527 -0.014 0.000 0.299 143 F C 2.244 177.981 175.800 -0.106 0.000 1.097 143 F CA 1.040 58.969 58.000 -0.118 0.000 1.264 143 F CB -1.361 37.432 39.000 -0.345 0.000 1.001 143 F HN 0.201 nan 8.300 nan 0.000 0.479 144 L N -0.433 120.857 121.223 0.113 0.000 2.046 144 L HA -0.247 4.085 4.340 -0.014 0.000 0.208 144 L C 2.162 179.040 176.870 0.014 0.000 1.077 144 L CA 1.927 56.790 54.840 0.038 0.000 0.747 144 L CB -0.795 41.290 42.059 0.043 0.000 0.896 144 L HN 0.100 nan 8.230 nan 0.000 0.432 145 D N -0.398 120.021 120.400 0.032 0.000 2.104 145 D HA -0.183 4.449 4.640 -0.014 0.000 0.194 145 D C 2.207 178.523 176.300 0.026 0.000 0.994 145 D CA 1.585 55.591 54.000 0.010 0.000 0.830 145 D CB 0.190 40.995 40.800 0.008 0.000 0.959 145 D HN 0.082 nan 8.370 nan 0.000 0.452 146 S N -0.747 114.986 115.700 0.055 0.000 2.383 146 S HA -0.113 4.349 4.470 -0.014 0.000 0.227 146 S C 1.997 176.610 174.600 0.023 0.000 1.026 146 S CA 0.901 59.127 58.200 0.042 0.000 0.981 146 S CB -0.229 63.002 63.200 0.052 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.927 120.533 119.600 0.011 0.000 2.159 147 M HA -0.100 4.372 4.480 -0.014 0.000 0.263 147 M C 2.434 178.736 176.300 0.004 0.000 1.063 147 M CA 1.389 56.692 55.300 0.006 0.000 1.110 147 M CB -0.504 32.082 32.600 -0.025 0.000 1.374 147 M HN 0.399 nan 8.290 nan 0.000 0.411 148 A N -0.221 122.597 122.820 -0.004 0.000 1.897 148 A HA -0.113 4.199 4.320 -0.014 0.000 0.215 148 A C 2.162 179.758 177.584 0.021 0.000 1.181 148 A CA 1.976 54.013 52.037 -0.000 0.000 0.620 148 A CB -1.063 17.919 19.000 -0.030 0.000 0.821 148 A HN 0.410 nan 8.150 nan 0.000 0.443 149 T N 0.316 114.887 114.554 0.030 0.000 2.881 149 T HA -0.015 4.326 4.350 -0.014 0.000 0.270 149 T C 1.342 176.070 174.700 0.048 0.000 1.068 149 T CA 1.155 63.286 62.100 0.052 0.000 1.131 149 T CB -0.263 68.644 68.868 0.065 0.000 0.871 149 T HN 0.332 nan 8.240 nan 0.000 0.479 150 L N 0.317 121.565 121.223 0.042 0.000 2.628 150 L HA 0.303 4.635 4.340 -0.014 0.000 0.229 150 L C 1.618 178.520 176.870 0.053 0.000 1.137 150 L CA -0.045 54.822 54.840 0.045 0.000 0.909 150 L CB -0.298 41.788 42.059 0.045 0.000 1.137 150 L HN 0.406 nan 8.230 nan 0.000 0.470 151 G N 1.150 109.984 108.800 0.057 0.000 2.221 151 G HA2 -0.281 3.671 3.960 -0.014 0.000 0.265 151 G HA3 -0.281 3.671 3.960 -0.014 0.000 0.265 151 G C 0.093 175.047 174.900 0.090 0.000 1.041 151 G CA 0.025 45.177 45.100 0.086 0.000 0.807 151 G HN 0.270 nan 8.290 nan 0.000 0.502 152 L N -0.141 121.104 121.223 0.038 0.000 2.357 152 L HA 0.620 4.952 4.340 -0.014 0.000 0.273 152 L C 1.194 177.954 176.870 -0.185 0.000 1.080 152 L CA -0.381 54.434 54.840 -0.041 0.000 0.803 152 L CB 1.598 43.645 42.059 -0.019 0.000 1.174 152 L HN 0.267 nan 8.230 nan 0.000 0.443 153 A N 2.990 125.559 122.820 -0.419 0.000 2.990 153 A HA 0.569 4.881 4.320 -0.014 0.000 0.282 153 A C 0.218 177.467 177.584 -0.558 0.000 1.688 153 A CA -0.159 51.338 52.037 -0.899 0.000 1.391 153 A CB -0.621 17.708 19.000 -1.117 0.000 1.112 153 A HN 0.691 nan 8.150 nan 0.000 0.588 154 A N 1.765 124.293 122.820 -0.486 0.000 2.350 154 A HA 0.791 5.102 4.320 -0.014 0.000 0.324 154 A C -1.075 176.248 177.584 -0.436 0.000 1.118 154 A CA -0.465 51.359 52.037 -0.355 0.000 0.783 154 A CB 0.834 19.694 19.000 -0.234 0.000 1.236 154 A HN 0.633 nan 8.150 nan 0.000 0.457 155 Y N 0.499 120.723 120.300 -0.126 0.000 2.361 155 Y HA 0.543 5.085 4.550 -0.013 0.000 0.337 155 Y C 0.850 176.828 175.900 0.129 0.000 0.965 155 Y CA -0.593 57.505 58.100 -0.005 0.000 1.091 155 Y CB 2.449 40.985 38.460 0.127 0.000 1.182 155 Y HN 0.835 nan 8.280 nan 0.000 0.450 156 G N 2.226 111.104 108.800 0.131 0.000 2.338 156 G HA2 0.452 4.404 3.960 -0.014 0.000 0.298 156 G HA3 0.452 4.404 3.960 -0.014 0.000 0.298 156 G C -1.735 173.181 174.900 0.027 0.000 1.140 156 G CA -0.251 44.971 45.100 0.202 0.000 0.860 156 G HN 0.531 nan 8.290 nan 0.000 0.470 157 Y N 0.942 121.467 120.300 0.374 0.000 2.376 157 Y HA 0.632 5.174 4.550 -0.014 0.000 0.340 157 Y C 0.760 176.963 175.900 0.506 0.000 0.965 157 Y CA 0.173 58.462 58.100 0.314 0.000 1.078 157 Y CB 2.701 41.376 38.460 0.358 0.000 1.193 157 Y HN 0.875 nan 8.280 nan 0.000 0.452 158 G N 2.290 111.411 108.800 0.535 0.000 2.753 158 G HA2 0.610 4.562 3.960 -0.014 0.000 0.303 158 G HA3 0.610 4.562 3.960 -0.014 0.000 0.303 158 G C -1.782 173.355 174.900 0.395 0.000 1.242 158 G CA -0.831 44.612 45.100 0.572 0.000 0.810 158 G HN 0.438 nan 8.290 nan 0.000 0.515 159 I N 0.454 121.150 120.570 0.210 0.000 2.441 159 I HA 0.442 4.604 4.170 -0.014 0.000 0.295 159 I C 0.298 176.322 176.117 -0.156 0.000 0.994 159 I CA -0.733 60.579 61.300 0.021 0.000 1.144 159 I CB 2.249 40.067 38.000 -0.303 0.000 1.314 159 I HN 0.345 nan 8.210 nan 0.000 0.445 160 R N 5.934 126.441 120.500 0.011 0.000 2.608 160 R HA 0.236 4.568 4.340 -0.014 0.000 0.277 160 R C -1.292 175.052 176.300 0.073 0.000 1.341 160 R CA -0.440 55.696 56.100 0.060 0.000 1.199 160 R CB -0.021 30.290 30.300 0.018 0.000 1.156 160 R HN 0.399 nan 8.270 nan 0.000 0.558 161 Y N 1.553 122.016 120.300 0.271 0.000 2.442 161 Y HA -0.071 4.471 4.550 -0.014 0.000 0.330 161 Y C 1.586 177.667 175.900 0.301 0.000 1.129 161 Y CA 0.030 58.279 58.100 0.249 0.000 1.365 161 Y CB 0.849 39.434 38.460 0.209 0.000 1.233 161 Y HN 0.594 nan 8.280 nan 0.000 0.529 162 E N 2.275 122.659 120.200 0.305 0.000 2.150 162 E HA -0.078 4.264 4.350 -0.014 0.000 0.193 162 E C -0.717 175.764 176.600 -0.198 0.000 0.985 162 E CA 0.714 57.099 56.400 -0.024 0.000 0.814 162 E CB 0.169 29.780 29.700 -0.148 0.000 0.752 162 E HN 0.501 nan 8.360 nan 0.000 0.466 163 F N -0.166 119.994 119.950 0.350 0.000 2.477 163 F HA 0.451 4.970 4.527 -0.014 0.000 0.335 163 F C 0.797 176.692 175.800 0.160 0.000 1.130 163 F CA -0.786 57.381 58.000 0.279 0.000 0.948 163 F CB 1.875 40.967 39.000 0.154 0.000 1.154 163 F HN -0.100 nan 8.300 nan 0.000 0.439 164 G N 1.864 110.780 108.800 0.194 0.000 2.531 164 G HA2 0.359 4.311 3.960 -0.014 0.000 0.253 164 G HA3 0.359 4.311 3.960 -0.014 0.000 0.253 164 G C -0.543 174.310 174.900 -0.079 0.000 1.439 164 G CA -0.713 44.336 45.100 -0.086 0.000 1.056 164 G HN 0.548 nan 8.290 nan 0.000 0.555 165 I N 0.911 121.343 120.570 -0.230 0.000 2.752 165 I HA 0.184 4.346 4.170 -0.014 0.000 0.289 165 I C 0.524 176.536 176.117 -0.176 0.000 1.197 165 I CA -1.075 60.065 61.300 -0.268 0.000 1.432 165 I CB -0.325 37.409 38.000 -0.443 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.267 126.224 119.950 0.011 0.000 2.595 166 F HA 0.246 4.765 4.527 -0.013 0.000 0.359 166 F C 0.576 176.424 175.800 0.079 0.000 1.147 166 F CA -0.642 57.389 58.000 0.052 0.000 1.341 166 F CB -0.399 38.621 39.000 0.033 0.000 1.104 166 F HN 0.423 nan 8.300 nan 0.000 0.603 167 N N 2.575 121.440 118.700 0.275 0.000 2.497 167 N HA 0.017 4.748 4.740 -0.014 0.000 0.268 167 N C -0.683 175.060 175.510 0.388 0.000 1.171 167 N CA -0.163 53.031 53.050 0.238 0.000 0.948 167 N CB 1.009 39.624 38.487 0.214 0.000 1.069 167 N HN 0.766 nan 8.380 nan 0.000 0.460 168 Q N 2.459 122.458 119.800 0.331 0.000 2.278 168 Q HA 0.179 4.511 4.340 -0.014 0.000 0.257 168 Q C -0.973 175.192 176.000 0.275 0.000 0.928 168 Q CA -0.454 55.580 55.803 0.384 0.000 0.932 168 Q CB 0.733 29.703 28.738 0.387 0.000 1.221 168 Q HN 0.240 nan 8.270 nan 0.000 0.434 169 K N 4.209 124.747 120.400 0.230 0.000 2.207 169 K HA 0.470 4.782 4.320 -0.014 0.000 0.255 169 K C -0.641 176.053 176.600 0.157 0.000 0.941 169 K CA -0.891 55.507 56.287 0.185 0.000 0.825 169 K CB 1.598 34.187 32.500 0.148 0.000 1.119 169 K HN 0.632 nan 8.250 nan 0.000 0.430 170 I N 2.032 122.686 120.570 0.140 0.000 2.328 170 I HA 0.154 4.316 4.170 -0.014 0.000 0.287 170 I C -0.063 176.107 176.117 0.087 0.000 1.012 170 I CA -0.712 60.640 61.300 0.088 0.000 1.195 170 I CB 0.888 38.919 38.000 0.051 0.000 1.350 170 I HN 0.482 nan 8.210 nan 0.000 0.464 171 C N 5.402 124.766 119.300 0.106 0.000 2.322 171 C HA 0.646 5.097 4.460 -0.014 0.000 0.324 171 C C 1.199 176.291 174.990 0.169 0.000 1.249 171 C CA 0.313 59.401 59.018 0.116 0.000 1.453 171 C CB -0.198 27.605 27.740 0.106 0.000 2.145 171 C HN 1.110 nan 8.230 nan 0.000 0.466 172 G N 4.092 112.961 108.800 0.115 0.000 2.225 172 G HA2 0.083 4.035 3.960 -0.014 0.000 0.267 172 G HA3 0.083 4.035 3.960 -0.014 0.000 0.267 172 G C 1.225 176.117 174.900 -0.012 0.000 1.024 172 G CA 1.144 46.317 45.100 0.120 0.000 0.784 172 G HN 2.637 nan 8.290 nan 0.000 0.507 173 G N -2.893 105.850 108.800 -0.096 0.000 2.179 173 G HA2 -0.291 3.661 3.960 -0.014 0.000 0.260 173 G HA3 -0.291 3.661 3.960 -0.014 0.000 0.260 173 G C 0.337 174.986 174.900 -0.419 0.000 0.977 173 G CA 0.648 45.570 45.100 -0.298 0.000 0.641 173 G HN 1.211 nan 8.290 nan 0.000 0.533 174 W N 0.800 122.043 121.300 -0.095 0.000 2.496 174 W HA 0.649 5.301 4.660 -0.013 0.000 0.327 174 W C 0.643 177.105 176.519 -0.094 0.000 1.086 174 W CA -0.950 56.333 57.345 -0.103 0.000 1.222 174 W CB 0.881 30.297 29.460 -0.072 0.000 1.304 174 W HN 0.248 nan 8.180 nan 0.000 0.547 175 Q N 3.473 123.362 119.800 0.149 0.000 2.289 175 Q HA 0.162 4.494 4.340 -0.014 0.000 0.273 175 Q C -0.497 175.556 176.000 0.088 0.000 1.029 175 Q CA 0.264 56.126 55.803 0.099 0.000 0.896 175 Q CB 0.496 29.283 28.738 0.083 0.000 1.182 175 Q HN 0.321 nan 8.270 nan 0.000 0.385 176 M N 3.128 122.775 119.600 0.079 0.000 2.528 176 M HA 0.398 4.870 4.480 -0.014 0.000 0.321 176 M C -0.993 175.316 176.300 0.015 0.000 1.153 176 M CA -0.688 54.626 55.300 0.024 0.000 0.951 176 M CB 1.751 34.378 32.600 0.045 0.000 1.705 176 M HN 0.586 nan 8.290 nan 0.000 0.451 177 E N 1.580 121.722 120.200 -0.096 0.000 2.179 177 E HA 0.445 4.787 4.350 -0.014 0.000 0.275 177 E C -0.822 175.780 176.600 0.003 0.000 0.945 177 E CA -0.563 55.756 56.400 -0.134 0.000 0.792 177 E CB 1.612 30.967 29.700 -0.575 0.000 1.125 177 E HN 0.495 nan 8.360 nan 0.000 0.397 178 E N 0.967 121.248 120.200 0.136 0.000 2.288 178 E HA 0.726 5.068 4.350 -0.014 0.000 0.268 178 E C -0.938 175.762 176.600 0.167 0.000 0.885 178 E CA -1.591 54.877 56.400 0.112 0.000 0.767 178 E CB 1.489 31.256 29.700 0.111 0.000 1.220 178 E HN 0.448 nan 8.360 nan 0.000 0.427 179 A N 1.999 124.877 122.820 0.097 0.000 2.567 179 A HA -0.005 4.307 4.320 -0.014 0.000 0.240 179 A C -0.078 177.692 177.584 0.309 0.000 1.053 179 A CA 0.304 52.418 52.037 0.128 0.000 0.755 179 A CB -0.171 18.781 19.000 -0.080 0.000 0.978 179 A HN 0.693 nan 8.150 nan 0.000 0.507 180 D N 1.835 122.482 120.400 0.412 0.000 2.494 180 D HA 0.205 4.837 4.640 -0.014 0.000 0.217 180 D C -0.417 176.193 176.300 0.517 0.000 1.153 180 D CA -0.197 54.036 54.000 0.389 0.000 0.954 180 D CB 0.373 41.331 40.800 0.263 0.000 1.034 180 D HN 0.384 nan 8.370 nan 0.000 0.518 181 D N 3.897 124.560 120.400 0.438 0.000 2.845 181 D HA -0.012 4.619 4.640 -0.014 0.000 0.235 181 D C 1.113 177.515 176.300 0.169 0.000 1.158 181 D CA -0.591 53.561 54.000 0.252 0.000 0.990 181 D CB -0.185 40.784 40.800 0.282 0.000 1.094 181 D HN 0.558 nan 8.370 nan 0.000 0.486 182 W N 1.773 123.082 121.300 0.015 0.000 2.595 182 W HA -0.022 4.630 4.660 -0.013 0.000 0.257 182 W C 0.114 176.677 176.519 0.074 0.000 1.267 182 W CA 0.084 57.474 57.345 0.074 0.000 1.300 182 W CB -0.705 28.803 29.460 0.080 0.000 1.120 182 W HN 0.172 nan 8.180 nan 0.000 0.618 183 L N 1.022 121.851 121.223 -0.656 0.000 2.592 183 L HA 0.168 4.500 4.340 -0.014 0.000 0.227 183 L C 2.775 179.462 176.870 -0.305 0.000 1.127 183 L CA 0.064 54.501 54.840 -0.671 0.000 0.884 183 L CB -0.660 40.892 42.059 -0.845 0.000 1.065 183 L HN -0.102 nan 8.230 nan 0.000 0.457 184 R N 0.560 120.930 120.500 -0.217 0.000 2.119 184 R HA -0.232 4.100 4.340 -0.014 0.000 0.246 184 R C 1.467 177.569 176.300 -0.331 0.000 1.146 184 R CA 2.090 58.016 56.100 -0.290 0.000 0.962 184 R CB -0.205 29.875 30.300 -0.366 0.000 0.863 184 R HN 0.310 nan 8.270 nan 0.000 0.442 185 Y N -0.459 119.852 120.300 0.019 0.000 2.466 185 Y HA 0.324 4.866 4.550 -0.013 0.000 0.272 185 Y C 0.852 176.730 175.900 -0.037 0.000 1.169 185 Y CA 0.463 58.588 58.100 0.041 0.000 1.285 185 Y CB 0.766 39.374 38.460 0.246 0.000 1.078 185 Y HN 0.410 nan 8.280 nan 0.000 0.523 186 G N 1.308 110.139 108.800 0.051 0.000 2.692 186 G HA2 -0.222 3.730 3.960 -0.014 0.000 0.686 186 G HA3 -0.222 3.730 3.960 -0.014 0.000 0.686 186 G C -1.269 173.695 174.900 0.106 0.000 1.243 186 G CA -0.861 44.232 45.100 -0.012 0.000 0.782 186 G HN 0.256 nan 8.290 nan 0.000 0.625 187 N N 1.578 120.286 118.700 0.012 0.000 2.518 187 N HA 0.599 5.331 4.740 -0.014 0.000 0.254 187 N C -0.597 174.917 175.510 0.007 0.000 0.979 187 N CA -2.137 50.948 53.050 0.057 0.000 0.930 187 N CB 1.968 40.413 38.487 -0.070 0.000 1.152 187 N HN 0.233 nan 8.380 nan 0.000 0.505 188 P HA 0.024 nan 4.420 nan 0.000 0.233 188 P C 0.162 177.103 177.300 -0.597 0.000 1.167 188 P CA 0.743 63.528 63.100 -0.525 0.000 0.770 188 P CB -0.005 31.152 31.700 -0.905 0.000 0.837 189 W N 1.723 123.042 121.300 0.033 0.000 3.330 189 W HA 0.180 4.832 4.660 -0.013 0.000 0.348 189 W C 0.696 177.255 176.519 0.066 0.000 1.205 189 W CA -0.587 56.768 57.345 0.018 0.000 1.841 189 W CB 0.122 29.598 29.460 0.027 0.000 1.084 189 W HN 0.052 nan 8.180 nan 0.000 0.665 190 E N 0.686 121.031 120.200 0.243 0.000 2.277 190 E HA 0.563 4.905 4.350 -0.014 0.000 0.266 190 E C -1.025 175.731 176.600 0.260 0.000 0.901 190 E CA -1.275 55.295 56.400 0.284 0.000 0.782 190 E CB 1.947 31.826 29.700 0.299 0.000 1.228 190 E HN -0.287 nan 8.360 nan 0.000 0.424 191 K N 1.620 122.190 120.400 0.284 0.000 2.450 191 K HA 0.480 4.792 4.320 -0.014 0.000 0.257 191 K C -1.044 175.575 176.600 0.032 0.000 0.953 191 K CA -0.464 55.918 56.287 0.158 0.000 0.844 191 K CB 1.587 34.164 32.500 0.128 0.000 1.103 191 K HN 0.694 nan 8.250 nan 0.000 0.429 192 A N 4.213 126.966 122.820 -0.112 0.000 2.540 192 A HA 0.265 4.577 4.320 -0.014 0.000 0.239 192 A C -0.217 177.202 177.584 -0.275 0.000 1.061 192 A CA 0.042 51.762 52.037 -0.529 0.000 0.758 192 A CB 0.175 18.870 19.000 -0.509 0.000 0.991 192 A HN 0.676 nan 8.150 nan 0.000 0.502 193 R N 3.122 123.462 120.500 -0.267 0.000 2.835 193 R HA 0.201 4.533 4.340 -0.014 0.000 0.290 193 R C -2.289 174.001 176.300 -0.016 0.000 1.410 193 R CA -1.676 54.398 56.100 -0.043 0.000 1.590 193 R CB 0.661 31.035 30.300 0.123 0.000 1.288 193 R HN 0.600 nan 8.270 nan 0.000 0.637 194 P HA -0.180 nan 4.420 nan 0.000 0.221 194 P C 0.908 178.177 177.300 -0.051 0.000 1.145 194 P CA 1.084 64.153 63.100 -0.052 0.000 0.795 194 P CB 0.381 32.042 31.700 -0.066 0.000 0.775 195 E N -0.118 119.994 120.200 -0.147 0.000 2.338 195 E HA -0.135 4.207 4.350 -0.014 0.000 0.197 195 E C 0.681 177.058 176.600 -0.371 0.000 1.007 195 E CA 0.817 57.039 56.400 -0.297 0.000 0.849 195 E CB -0.878 28.544 29.700 -0.463 0.000 0.774 195 E HN 0.280 nan 8.360 nan 0.000 0.506 196 F N 1.904 121.869 119.950 0.026 0.000 2.668 196 F HA 0.241 4.760 4.527 -0.013 0.000 0.297 196 F C 0.450 176.350 175.800 0.168 0.000 1.124 196 F CA -0.289 57.761 58.000 0.085 0.000 1.353 196 F CB 0.293 39.340 39.000 0.079 0.000 0.992 196 F HN -0.288 nan 8.300 nan 0.000 0.524 197 T N 2.916 117.611 114.554 0.235 0.000 2.928 197 T HA 0.260 4.602 4.350 -0.014 0.000 0.305 197 T C -0.252 174.549 174.700 0.168 0.000 1.035 197 T CA 0.361 62.597 62.100 0.227 0.000 1.145 197 T CB 0.626 69.577 68.868 0.137 0.000 0.963 197 T HN -0.157 nan 8.240 nan 0.000 0.545 198 L N 5.794 127.092 121.223 0.125 0.000 2.370 198 L HA 0.573 4.904 4.340 -0.014 0.000 0.266 198 L C -2.259 174.573 176.870 -0.063 0.000 1.002 198 L CA -2.632 52.211 54.840 0.004 0.000 0.818 198 L CB 2.045 44.039 42.059 -0.108 0.000 1.325 198 L HN 0.378 nan 8.230 nan 0.000 0.418 199 P HA 0.346 nan 4.420 nan 0.000 0.290 199 P C -1.136 176.034 177.300 -0.216 0.000 1.276 199 P CA -0.353 62.665 63.100 -0.136 0.000 0.808 199 P CB 1.680 33.298 31.700 -0.138 0.000 0.966 200 V N 4.279 124.050 119.914 -0.239 0.000 2.495 200 V HA 0.318 4.429 4.120 -0.014 0.000 0.298 200 V C 0.288 176.156 176.094 -0.377 0.000 1.031 200 V CA -0.618 61.522 62.300 -0.267 0.000 0.871 200 V CB 1.303 33.010 31.823 -0.194 0.000 0.988 200 V HN 0.597 nan 8.190 nan 0.000 0.432 201 H N 3.926 122.836 119.070 -0.268 0.000 2.463 201 H HA 0.606 5.154 4.556 -0.014 0.000 0.332 201 H C -1.274 173.790 175.328 -0.441 0.000 1.127 201 H CA -0.126 55.695 56.048 -0.378 0.000 1.238 201 H CB 1.841 31.139 29.762 -0.773 0.000 1.478 201 H HN 0.478 nan 8.280 nan 0.000 0.499 202 F N 0.437 120.466 119.950 0.133 0.000 2.599 202 F HA 0.203 4.722 4.527 -0.014 0.000 0.311 202 F C -0.287 175.651 175.800 0.231 0.000 1.076 202 F CA -0.531 57.554 58.000 0.141 0.000 0.937 202 F CB 1.155 40.144 39.000 -0.019 0.000 1.282 202 F HN 0.564 nan 8.300 nan 0.000 0.460 203 Y N 0.251 120.868 120.300 0.530 0.000 2.896 203 Y HA -0.022 4.520 4.550 -0.013 0.000 0.466 203 Y C 1.379 177.550 175.900 0.451 0.000 1.197 203 Y CA 0.644 58.968 58.100 0.373 0.000 2.513 203 Y CB -1.929 36.677 38.460 0.242 0.000 1.232 203 Y HN 1.281 nan 8.280 nan 0.000 0.632 204 G N 0.762 109.848 108.800 0.477 0.000 2.598 204 G HA2 0.087 4.039 3.960 -0.014 0.000 0.244 204 G HA3 0.087 4.039 3.960 -0.014 0.000 0.244 204 G C -0.533 174.587 174.900 0.366 0.000 1.302 204 G CA 1.056 46.357 45.100 0.336 0.000 0.903 204 G HN 1.380 nan 8.290 nan 0.000 0.575 205 R N -2.587 118.127 120.500 0.358 0.000 2.716 205 R HA 0.681 5.013 4.340 -0.014 0.000 0.271 205 R C -1.412 175.031 176.300 0.238 0.000 1.028 205 R CA -0.990 55.257 56.100 0.246 0.000 0.883 205 R CB 1.297 31.687 30.300 0.149 0.000 1.250 205 R HN 0.891 nan 8.270 nan 0.000 0.465 206 V N 1.102 121.071 119.914 0.092 0.000 2.394 206 V HA 0.344 4.456 4.120 -0.014 0.000 0.282 206 V C -0.132 175.910 176.094 -0.086 0.000 1.031 206 V CA -0.527 61.756 62.300 -0.028 0.000 0.881 206 V CB 1.316 33.049 31.823 -0.150 0.000 0.982 206 V HN 0.677 nan 8.190 nan 0.000 0.451 207 E N 3.101 123.231 120.200 -0.116 0.000 2.179 207 E HA 0.424 4.765 4.350 -0.014 0.000 0.275 207 E C -0.974 175.483 176.600 -0.238 0.000 0.945 207 E CA -0.726 55.614 56.400 -0.101 0.000 0.792 207 E CB 1.183 30.873 29.700 -0.017 0.000 1.125 207 E HN 0.673 nan 8.360 nan 0.000 0.397 208 H N 1.964 121.050 119.070 0.025 0.000 2.519 208 H HA 0.200 4.748 4.556 -0.014 0.000 0.316 208 H C 0.178 175.515 175.328 0.015 0.000 1.065 208 H CA -0.273 55.785 56.048 0.017 0.000 1.264 208 H CB 1.268 31.035 29.762 0.009 0.000 1.413 208 H HN 0.555 nan 8.280 nan 0.000 0.465 209 T N -0.762 113.853 114.554 0.101 0.000 2.919 209 T HA 0.182 4.524 4.350 -0.014 0.000 0.282 209 T C 1.402 176.140 174.700 0.063 0.000 1.020 209 T CA -0.665 61.475 62.100 0.066 0.000 0.994 209 T CB 1.132 70.022 68.868 0.037 0.000 1.180 209 T HN 0.395 nan 8.240 nan 0.000 0.566 210 S N 0.002 115.728 115.700 0.043 0.000 2.387 210 S HA -0.145 4.317 4.470 -0.014 0.000 0.230 210 S C 1.508 176.129 174.600 0.035 0.000 1.035 210 S CA 1.188 59.408 58.200 0.034 0.000 1.014 210 S CB -0.513 62.702 63.200 0.025 0.000 0.836 210 S HN 0.755 nan 8.310 nan 0.000 0.466 211 Q N 0.943 120.764 119.800 0.034 0.000 2.296 211 Q HA 0.465 4.797 4.340 -0.014 0.000 0.273 211 Q C 0.539 176.560 176.000 0.036 0.000 0.900 211 Q CA 0.251 56.072 55.803 0.031 0.000 0.993 211 Q CB -0.244 28.509 28.738 0.023 0.000 1.132 211 Q HN 0.550 nan 8.270 nan 0.000 0.439 212 G N -0.435 108.397 108.800 0.053 0.000 2.685 212 G HA2 -0.015 3.936 3.960 -0.014 0.000 0.387 212 G HA3 -0.015 3.936 3.960 -0.014 0.000 0.387 212 G C -0.600 174.335 174.900 0.058 0.000 1.324 212 G CA -0.691 44.450 45.100 0.068 0.000 0.878 212 G HN 0.562 nan 8.290 nan 0.000 0.527 213 A N 0.003 122.848 122.820 0.042 0.000 2.371 213 A HA 0.689 5.000 4.320 -0.014 0.000 0.257 213 A C 0.469 178.011 177.584 -0.070 0.000 1.089 213 A CA 0.495 52.477 52.037 -0.091 0.000 0.794 213 A CB 0.536 19.456 19.000 -0.133 0.000 1.029 213 A HN 0.768 nan 8.150 nan 0.000 0.488 214 K N 0.673 121.018 120.400 -0.092 0.000 2.468 214 K HA 0.194 4.506 4.320 -0.014 0.000 0.252 214 K C -1.925 174.710 176.600 0.059 0.000 0.932 214 K CA -0.330 55.950 56.287 -0.012 0.000 0.794 214 K CB 2.211 34.705 32.500 -0.010 0.000 1.241 214 K HN 0.756 nan 8.250 nan 0.000 0.428 215 W N 5.141 126.362 121.300 -0.133 0.000 2.291 215 W HA 0.388 5.040 4.660 -0.014 0.000 0.312 215 W C -0.661 175.803 176.519 -0.092 0.000 1.061 215 W CA -0.798 56.476 57.345 -0.118 0.000 1.296 215 W CB 0.218 29.595 29.460 -0.138 0.000 1.223 215 W HN 0.310 nan 8.180 nan 0.000 0.421 216 V N 2.757 122.723 119.914 0.086 0.000 3.126 216 V HA 0.617 4.729 4.120 -0.014 0.000 0.314 216 V C -0.240 175.836 176.094 -0.031 0.000 1.138 216 V CA -0.965 61.312 62.300 -0.038 0.000 1.034 216 V CB 1.967 33.797 31.823 0.010 0.000 1.075 216 V HN 0.469 nan 8.190 nan 0.000 0.442 217 D N 0.280 120.663 120.400 -0.030 0.000 2.772 217 D HA -0.134 4.498 4.640 -0.014 0.000 0.233 217 D C 0.516 176.827 176.300 0.018 0.000 1.143 217 D CA 1.536 55.542 54.000 0.010 0.000 0.700 217 D CB -1.540 39.287 40.800 0.045 0.000 1.076 217 D HN 1.329 nan 8.370 nan 0.000 0.430 218 T N -2.856 111.667 114.554 -0.053 0.000 2.899 218 T HA 0.507 4.849 4.350 -0.014 0.000 0.284 218 T C 0.468 175.225 174.700 0.094 0.000 1.004 218 T CA -0.776 61.309 62.100 -0.025 0.000 1.043 218 T CB 1.905 70.603 68.868 -0.283 0.000 1.013 218 T HN 0.037 nan 8.240 nan 0.000 0.518 219 Q N 0.622 120.549 119.800 0.212 0.000 2.243 219 Q HA 0.558 4.890 4.340 -0.014 0.000 0.252 219 Q C -0.912 175.210 176.000 0.204 0.000 0.909 219 Q CA -0.830 55.119 55.803 0.243 0.000 0.922 219 Q CB 1.743 30.705 28.738 0.374 0.000 1.215 219 Q HN 0.506 nan 8.270 nan 0.000 0.427 220 V N 3.226 123.221 119.914 0.133 0.000 2.435 220 V HA 0.394 4.506 4.120 -0.014 0.000 0.290 220 V C -0.342 175.836 176.094 0.141 0.000 1.030 220 V CA -0.632 61.662 62.300 -0.011 0.000 0.881 220 V CB 1.690 33.446 31.823 -0.112 0.000 0.983 220 V HN 0.491 nan 8.190 nan 0.000 0.445 221 V N 6.020 126.028 119.914 0.157 0.000 2.604 221 V HA 0.485 4.596 4.120 -0.014 0.000 0.305 221 V C -0.130 176.062 176.094 0.163 0.000 1.043 221 V CA -0.669 61.743 62.300 0.187 0.000 0.888 221 V CB 1.951 33.958 31.823 0.307 0.000 0.995 221 V HN 0.636 nan 8.190 nan 0.000 0.429 222 L N 3.549 124.859 121.223 0.144 0.000 2.350 222 L HA 0.697 5.029 4.340 -0.014 0.000 0.275 222 L C 0.493 177.546 176.870 0.305 0.000 1.099 222 L CA -0.277 54.654 54.840 0.153 0.000 0.808 222 L CB 1.227 43.354 42.059 0.113 0.000 1.149 222 L HN 0.759 nan 8.230 nan 0.000 0.442 223 A N 5.238 128.187 122.820 0.215 0.000 2.277 223 A HA 0.560 4.872 4.320 -0.014 0.000 0.318 223 A C -0.441 177.419 177.584 0.460 0.000 1.339 223 A CA -0.460 51.734 52.037 0.262 0.000 0.875 223 A CB 0.774 19.467 19.000 -0.511 0.000 1.158 223 A HN 0.785 nan 8.150 nan 0.000 0.514 224 M N 5.951 125.877 119.600 0.544 0.000 2.129 224 M HA 0.442 4.914 4.480 -0.014 0.000 0.348 224 M C -2.569 173.992 176.300 0.435 0.000 1.116 224 M CA -2.141 53.417 55.300 0.431 0.000 1.022 224 M CB 1.909 34.677 32.600 0.281 0.000 1.599 224 M HN 0.336 nan 8.290 nan 0.000 0.449 225 P HA 0.254 nan 4.420 nan 0.000 0.282 225 P C -1.917 175.290 177.300 -0.156 0.000 1.249 225 P CA -0.010 62.952 63.100 -0.230 0.000 0.806 225 P CB 0.529 31.888 31.700 -0.567 0.000 0.984 226 Y N 0.383 120.599 120.300 -0.140 0.000 2.350 226 Y HA 0.326 4.867 4.550 -0.014 0.000 0.338 226 Y C 0.164 176.034 175.900 -0.051 0.000 0.961 226 Y CA -0.327 57.752 58.100 -0.035 0.000 1.100 226 Y CB 1.396 39.872 38.460 0.026 0.000 1.179 226 Y HN 0.211 nan 8.280 nan 0.000 0.454 227 D N 1.952 122.440 120.400 0.146 0.000 2.193 227 D HA 0.402 5.034 4.640 -0.014 0.000 0.244 227 D C -0.599 175.926 176.300 0.374 0.000 1.064 227 D CA -0.174 53.951 54.000 0.208 0.000 0.845 227 D CB 1.740 42.663 40.800 0.204 0.000 1.148 227 D HN 0.380 nan 8.370 nan 0.000 0.464 228 T N 3.270 117.960 114.554 0.227 0.000 2.841 228 T HA 0.483 4.825 4.350 -0.014 0.000 0.283 228 T C -2.513 172.056 174.700 -0.218 0.000 1.000 228 T CA -1.475 60.666 62.100 0.068 0.000 0.977 228 T CB 2.089 70.984 68.868 0.045 0.000 0.979 228 T HN 0.177 nan 8.240 nan 0.000 0.446 229 P HA 0.348 nan 4.420 nan 0.000 0.278 229 P C -1.045 175.929 177.300 -0.543 0.000 1.238 229 P CA -0.435 61.993 63.100 -1.120 0.000 0.794 229 P CB 0.893 31.696 31.700 -1.495 0.000 0.955 230 V N 4.791 124.446 119.914 -0.431 0.000 2.305 230 V HA 0.260 4.372 4.120 -0.014 0.000 0.275 230 V C -2.118 173.840 176.094 -0.226 0.000 1.020 230 V CA -1.916 60.223 62.300 -0.268 0.000 0.811 230 V CB 1.294 33.007 31.823 -0.183 0.000 1.031 230 V HN 0.543 nan 8.190 nan 0.000 0.439 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.412 177.658 177.300 -0.090 0.000 1.244 231 P CA 0.283 63.289 63.100 -0.156 0.000 0.784 231 P CB 1.476 33.083 31.700 -0.155 0.000 0.913 232 G N 2.089 110.854 108.800 -0.058 0.000 2.634 232 G HA2 0.103 4.055 3.960 -0.014 0.000 0.255 232 G HA3 0.103 4.055 3.960 -0.014 0.000 0.255 232 G C -1.119 173.791 174.900 0.016 0.000 1.205 232 G CA -0.534 44.562 45.100 -0.008 0.000 0.884 232 G HN 0.516 nan 8.290 nan 0.000 0.549 233 Y N 1.189 121.449 120.300 -0.065 0.000 2.624 233 Y HA 0.230 4.771 4.550 -0.014 0.000 0.354 233 Y C 1.379 177.241 175.900 -0.063 0.000 1.051 233 Y CA -0.183 57.874 58.100 -0.071 0.000 1.377 233 Y CB -0.133 38.283 38.460 -0.073 0.000 1.168 233 Y HN 0.726 nan 8.280 nan 0.000 0.525 234 R N 2.995 123.218 120.500 -0.462 0.000 3.627 234 R HA -0.327 4.005 4.340 -0.014 0.000 0.281 234 R C 0.082 176.252 176.300 -0.218 0.000 1.140 234 R CA 1.331 57.178 56.100 -0.422 0.000 0.761 234 R CB -2.267 27.621 30.300 -0.686 0.000 1.181 234 R HN 0.947 nan 8.270 nan 0.000 0.472 235 N N -0.582 118.039 118.700 -0.132 0.000 2.171 235 N HA 0.035 4.767 4.740 -0.014 0.000 0.212 235 N C -0.059 175.405 175.510 -0.077 0.000 1.184 235 N CA -0.459 52.543 53.050 -0.080 0.000 0.888 235 N CB 0.459 38.925 38.487 -0.036 0.000 1.038 235 N HN 0.085 nan 8.380 nan 0.000 0.517 236 N N -0.156 118.493 118.700 -0.084 0.000 2.753 236 N HA -0.135 4.597 4.740 -0.014 0.000 0.251 236 N C -0.927 174.541 175.510 -0.070 0.000 1.097 236 N CA 0.576 53.583 53.050 -0.072 0.000 0.786 236 N CB -1.331 37.115 38.487 -0.068 0.000 1.137 236 N HN 0.188 nan 8.380 nan 0.000 0.566 237 V N 1.239 121.115 119.914 -0.063 0.000 2.498 237 V HA 0.384 4.496 4.120 -0.014 0.000 0.279 237 V C 0.608 176.669 176.094 -0.054 0.000 1.048 237 V CA -0.420 61.848 62.300 -0.052 0.000 0.967 237 V CB 2.001 33.819 31.823 -0.009 0.000 0.988 237 V HN -0.020 nan 8.190 nan 0.000 0.473 238 V N 5.497 125.383 119.914 -0.046 0.000 2.419 238 V HA 0.442 4.554 4.120 -0.014 0.000 0.287 238 V C -0.078 176.007 176.094 -0.017 0.000 1.017 238 V CA -0.876 61.368 62.300 -0.092 0.000 0.844 238 V CB 1.432 33.166 31.823 -0.149 0.000 1.011 238 V HN 0.829 nan 8.190 nan 0.000 0.429 239 N N 1.952 120.612 118.700 -0.067 0.000 2.448 239 N HA 0.572 5.303 4.740 -0.014 0.000 0.274 239 N C -0.049 175.437 175.510 -0.039 0.000 1.239 239 N CA -0.297 52.731 53.050 -0.037 0.000 0.982 239 N CB 1.221 39.646 38.487 -0.102 0.000 1.199 239 N HN 0.591 nan 8.380 nan 0.000 0.576 240 T N 0.764 115.291 114.554 -0.045 0.000 2.841 240 T HA 0.388 4.729 4.350 -0.014 0.000 0.283 240 T C -0.251 174.406 174.700 -0.073 0.000 1.000 240 T CA -0.505 61.645 62.100 0.084 0.000 0.977 240 T CB 1.055 70.082 68.868 0.265 0.000 0.979 240 T HN 0.286 nan 8.240 nan 0.000 0.446 241 M N 3.772 123.302 119.600 -0.116 0.000 2.101 241 M HA 0.486 4.958 4.480 -0.014 0.000 0.340 241 M C -0.424 175.725 176.300 -0.251 0.000 1.057 241 M CA -0.739 54.406 55.300 -0.258 0.000 0.984 241 M CB 0.640 33.031 32.600 -0.349 0.000 1.560 241 M HN 0.479 nan 8.290 nan 0.000 0.435 242 R N 5.989 126.228 120.500 -0.434 0.000 2.265 242 R HA 0.592 4.923 4.340 -0.014 0.000 0.328 242 R C -1.898 174.108 176.300 -0.490 0.000 0.969 242 R CA -0.406 55.384 56.100 -0.517 0.000 0.832 242 R CB 0.794 30.595 30.300 -0.831 0.000 1.139 242 R HN 0.804 nan 8.270 nan 0.000 0.457 243 L N 5.163 126.207 121.223 -0.299 0.000 2.322 243 L HA 0.487 4.819 4.340 -0.014 0.000 0.281 243 L C -0.805 176.023 176.870 -0.070 0.000 1.014 243 L CA -0.902 53.864 54.840 -0.123 0.000 0.815 243 L CB 1.450 43.522 42.059 0.022 0.000 1.247 243 L HN 0.587 nan 8.230 nan 0.000 0.421 244 W N 1.978 123.401 121.300 0.205 0.000 2.365 244 W HA 0.460 5.112 4.660 -0.013 0.000 0.316 244 W C 0.540 177.289 176.519 0.384 0.000 1.164 244 W CA -0.184 57.309 57.345 0.246 0.000 1.204 244 W CB 1.538 31.011 29.460 0.021 0.000 1.213 244 W HN 0.342 nan 8.180 nan 0.000 0.539 245 S N 1.912 118.023 115.700 0.684 0.000 2.503 245 S HA 0.779 5.241 4.470 -0.014 0.000 0.301 245 S C -0.426 174.517 174.600 0.571 0.000 1.087 245 S CA -0.708 57.798 58.200 0.510 0.000 1.042 245 S CB 0.654 64.103 63.200 0.415 0.000 1.043 245 S HN 0.516 nan 8.310 nan 0.000 0.489 246 A N 4.740 127.728 122.820 0.280 0.000 2.328 246 A HA 0.644 4.956 4.320 -0.014 0.000 0.284 246 A C -0.150 177.491 177.584 0.094 0.000 1.160 246 A CA -0.311 51.777 52.037 0.085 0.000 0.818 246 A CB 0.366 19.136 19.000 -0.383 0.000 1.087 246 A HN 0.672 nan 8.150 nan 0.000 0.504 247 K N 1.290 121.758 120.400 0.114 0.000 2.427 247 K HA 0.576 4.887 4.320 -0.014 0.000 0.252 247 K C -0.463 176.121 176.600 -0.027 0.000 0.931 247 K CA -0.433 55.884 56.287 0.050 0.000 0.793 247 K CB 2.231 34.795 32.500 0.106 0.000 1.211 247 K HN 0.851 nan 8.250 nan 0.000 0.426 248 A N 4.480 127.218 122.820 -0.138 0.000 2.425 248 A HA 0.391 4.703 4.320 -0.014 0.000 0.249 248 A C -2.090 175.466 177.584 -0.046 0.000 1.084 248 A CA -0.890 50.994 52.037 -0.254 0.000 0.781 248 A CB -0.363 18.308 19.000 -0.548 0.000 1.019 248 A HN 0.338 nan 8.150 nan 0.000 0.490 249 P HA 0.115 nan 4.420 nan 0.000 0.272 249 P C 0.104 177.485 177.300 0.135 0.000 1.230 249 P CA -0.418 62.743 63.100 0.102 0.000 0.788 249 P CB 0.573 32.350 31.700 0.129 0.000 0.949 250 N N 0.907 119.670 118.700 0.104 0.000 2.381 250 N HA -0.116 4.616 4.740 -0.014 0.000 0.182 250 N C 0.796 176.381 175.510 0.126 0.000 1.025 250 N CA 1.081 54.193 53.050 0.104 0.000 0.888 250 N CB -0.453 38.080 38.487 0.076 0.000 0.965 250 N HN 0.558 nan 8.380 nan 0.000 0.438 251 D N -0.742 119.733 120.400 0.125 0.000 2.325 251 D HA -0.076 4.556 4.640 -0.014 0.000 0.225 251 D C 0.102 176.473 176.300 0.119 0.000 1.096 251 D CA -0.550 53.513 54.000 0.105 0.000 0.844 251 D CB -1.038 39.804 40.800 0.071 0.000 0.925 251 D HN 0.057 nan 8.370 nan 0.000 0.513 252 F N 2.052 122.017 119.950 0.025 0.000 2.602 252 F HA 0.061 4.580 4.527 -0.013 0.000 0.385 252 F C 0.772 176.578 175.800 0.011 0.000 1.063 252 F CA 0.273 58.285 58.000 0.019 0.000 1.233 252 F CB 0.110 39.121 39.000 0.019 0.000 1.067 252 F HN -0.161 nan 8.300 nan 0.000 0.564 253 N N 2.614 120.954 118.700 -0.601 0.000 2.765 253 N HA -0.276 4.455 4.740 -0.014 0.000 0.248 253 N C -0.805 174.624 175.510 -0.134 0.000 1.063 253 N CA 1.488 54.303 53.050 -0.393 0.000 0.862 253 N CB -1.216 37.073 38.487 -0.331 0.000 1.145 253 N HN 0.557 nan 8.380 nan 0.000 0.581 262 Y N 1.624 121.928 120.300 0.007 0.000 2.128 262 Y HA -0.080 4.462 4.550 -0.014 0.000 0.284 262 Y C 2.689 178.602 175.900 0.021 0.000 1.154 262 Y CA 2.376 60.484 58.100 0.013 0.000 1.149 262 Y CB -0.109 38.359 38.460 0.012 0.000 0.976 262 Y HN 0.203 nan 8.280 nan 0.000 0.505 263 I N 0.392 120.901 120.570 -0.100 0.000 2.142 263 I HA -0.298 3.864 4.170 -0.014 0.000 0.240 263 I C 2.398 178.416 176.117 -0.166 0.000 1.078 263 I CA 1.784 62.972 61.300 -0.186 0.000 1.343 263 I CB -1.460 36.536 38.000 -0.007 0.000 1.046 263 I HN 0.319 nan 8.210 nan 0.000 0.405 264 Q N 1.095 120.849 119.800 -0.076 0.000 2.096 264 Q HA -0.144 4.188 4.340 -0.014 0.000 0.204 264 Q C 2.229 178.197 176.000 -0.053 0.000 0.982 264 Q CA 2.326 58.101 55.803 -0.047 0.000 0.850 264 Q CB -0.392 28.335 28.738 -0.018 0.000 0.901 264 Q HN 0.487 nan 8.270 nan 0.000 0.422 265 A N -0.841 121.931 122.820 -0.080 0.000 1.902 265 A HA -0.148 4.164 4.320 -0.014 0.000 0.217 265 A C 2.264 179.828 177.584 -0.034 0.000 1.181 265 A CA 1.716 53.720 52.037 -0.055 0.000 0.623 265 A CB -0.827 18.138 19.000 -0.059 0.000 0.818 265 A HN 0.267 nan 8.150 nan 0.000 0.443 266 V N 0.235 120.046 119.914 -0.173 0.000 2.343 266 V HA -0.245 3.867 4.120 -0.014 0.000 0.247 266 V C 2.528 178.593 176.094 -0.049 0.000 1.051 266 V CA 1.900 64.116 62.300 -0.140 0.000 1.036 266 V CB -0.799 30.841 31.823 -0.305 0.000 0.654 266 V HN 0.574 nan 8.190 nan 0.000 0.451 267 L N -0.199 120.990 121.223 -0.056 0.000 2.131 267 L HA -0.160 4.172 4.340 -0.014 0.000 0.210 267 L C 2.076 178.961 176.870 0.026 0.000 1.092 267 L CA 1.252 56.082 54.840 -0.017 0.000 0.759 267 L CB -0.719 41.328 42.059 -0.020 0.000 0.903 267 L HN 0.325 nan 8.230 nan 0.000 0.435 268 D N 0.077 120.518 120.400 0.068 0.000 2.348 268 D HA -0.086 4.546 4.640 -0.014 0.000 0.216 268 D C 2.171 178.615 176.300 0.241 0.000 0.970 268 D CA 0.495 54.587 54.000 0.153 0.000 0.889 268 D CB -0.021 40.881 40.800 0.170 0.000 0.912 268 D HN 0.230 nan 8.370 nan 0.000 0.524 269 R N 0.321 120.903 120.500 0.136 0.000 2.159 269 R HA -0.101 4.231 4.340 -0.014 0.000 0.237 269 R C 1.733 177.917 176.300 -0.195 0.000 1.131 269 R CA 1.026 57.043 56.100 -0.137 0.000 0.982 269 R CB -0.317 29.928 30.300 -0.091 0.000 0.868 269 R HN 0.357 nan 8.270 nan 0.000 0.453 270 N N 0.266 118.930 118.700 -0.061 0.000 2.137 270 N HA -0.193 4.538 4.740 -0.014 0.000 0.190 270 N C 1.277 176.758 175.510 -0.049 0.000 1.017 270 N CA 0.807 53.831 53.050 -0.043 0.000 0.859 270 N CB -0.106 38.379 38.487 -0.004 0.000 1.002 270 N HN 0.011 nan 8.380 nan 0.000 0.428 271 L N 1.172 122.385 121.223 -0.016 0.000 2.013 271 L HA -0.176 4.156 4.340 -0.014 0.000 0.212 271 L C 2.474 179.306 176.870 -0.062 0.000 1.073 271 L CA 1.566 56.412 54.840 0.011 0.000 0.753 271 L CB -1.239 40.893 42.059 0.121 0.000 0.890 271 L HN 0.173 nan 8.230 nan 0.000 0.432 272 A N -0.947 121.751 122.820 -0.203 0.000 1.930 272 A HA -0.182 4.130 4.320 -0.014 0.000 0.217 272 A C 2.155 179.613 177.584 -0.209 0.000 1.175 272 A CA 1.537 53.416 52.037 -0.262 0.000 0.627 272 A CB -0.455 18.202 19.000 -0.572 0.000 0.815 272 A HN 0.544 nan 8.150 nan 0.000 0.443 273 E N -0.085 120.005 120.200 -0.183 0.000 2.435 273 E HA -0.063 4.279 4.350 -0.014 0.000 0.195 273 E C 1.084 177.640 176.600 -0.073 0.000 1.029 273 E CA 0.172 56.501 56.400 -0.120 0.000 0.865 273 E CB -0.124 29.527 29.700 -0.081 0.000 0.833 273 E HN 0.460 nan 8.360 nan 0.000 0.510 274 N N 1.153 119.817 118.700 -0.059 0.000 2.348 274 N HA -0.133 4.599 4.740 -0.014 0.000 0.185 274 N C 1.611 177.113 175.510 -0.013 0.000 1.019 274 N CA 0.742 53.786 53.050 -0.011 0.000 0.880 274 N CB -0.087 38.398 38.487 -0.003 0.000 0.965 274 N HN 0.271 nan 8.380 nan 0.000 0.437 275 I N 0.402 120.906 120.570 -0.110 0.000 2.194 275 I HA -0.257 3.905 4.170 -0.014 0.000 0.246 275 I C 1.526 177.607 176.117 -0.060 0.000 1.093 275 I CA 1.326 62.531 61.300 -0.158 0.000 1.355 275 I CB -0.231 37.507 38.000 -0.436 0.000 1.046 275 I HN 0.140 nan 8.210 nan 0.000 0.413 276 S N -0.412 115.243 115.700 -0.075 0.000 2.614 276 S HA 0.163 4.624 4.470 -0.014 0.000 0.230 276 S C 1.511 176.246 174.600 0.224 0.000 0.952 276 S CA -0.473 57.773 58.200 0.077 0.000 0.949 276 S CB 0.190 63.417 63.200 0.046 0.000 0.786 276 S HN 0.217 nan 8.310 nan 0.000 0.478 277 R N 1.260 121.892 120.500 0.221 0.000 2.073 277 R HA 0.274 4.606 4.340 -0.014 0.000 0.229 277 R C 0.363 176.915 176.300 0.420 0.000 1.120 277 R CA 1.088 57.361 56.100 0.289 0.000 0.967 277 R CB -0.223 30.206 30.300 0.215 0.000 0.862 277 R HN 0.389 nan 8.270 nan 0.000 0.436 278 V N 0.419 120.535 119.914 0.337 0.000 2.851 278 V HA 0.346 4.457 4.120 -0.014 0.000 0.307 278 V C -1.599 174.439 176.094 -0.093 0.000 1.129 278 V CA -1.379 61.034 62.300 0.188 0.000 0.932 278 V CB 1.772 33.627 31.823 0.053 0.000 1.024 278 V HN 0.149 nan 8.190 nan 0.000 0.426 279 L N 7.065 128.006 121.223 -0.471 0.000 2.410 279 L HA 0.437 4.769 4.340 -0.014 0.000 0.273 279 L C -0.755 175.933 176.870 -0.302 0.000 1.144 279 L CA 0.497 54.845 54.840 -0.820 0.000 0.863 279 L CB 0.297 41.846 42.059 -0.850 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.174 127.372 120.300 -0.171 0.000 2.650 280 Y HA 0.161 4.703 4.550 -0.014 0.000 0.331 280 Y C -1.350 174.543 175.900 -0.013 0.000 1.165 280 Y CA -0.978 57.103 58.100 -0.033 0.000 1.473 280 Y CB 0.351 38.818 38.460 0.011 0.000 1.224 280 Y HN 0.575 nan 8.280 nan 0.000 0.533 281 P HA 0.048 nan 4.420 nan 0.000 0.249 281 P C -0.926 176.521 177.300 0.245 0.000 1.583 281 P CA 0.025 63.242 63.100 0.195 0.000 0.988 281 P CB 0.161 32.065 31.700 0.339 0.000 1.530 282 N N 1.378 120.231 118.700 0.256 0.000 2.419 282 N HA 0.141 4.872 4.740 -0.014 0.000 0.264 282 N C -0.596 175.088 175.510 0.289 0.000 1.031 282 N CA 0.155 53.385 53.050 0.300 0.000 0.951 282 N CB 1.090 39.788 38.487 0.350 0.000 1.101 282 N HN 0.096 nan 8.380 nan 0.000 0.488 283 D N 0.891 121.509 120.400 0.364 0.000 2.233 283 D HA 0.177 4.809 4.640 -0.014 0.000 0.240 283 D C -0.145 176.457 176.300 0.502 0.000 1.074 283 D CA -0.361 53.885 54.000 0.410 0.000 0.838 283 D CB 0.365 41.485 40.800 0.533 0.000 1.124 283 D HN 0.323 nan 8.370 nan 0.000 0.475 284 N N 2.872 121.760 118.700 0.312 0.000 2.699 284 N HA -0.265 4.467 4.740 -0.014 0.000 0.256 284 N C -1.252 174.486 175.510 0.380 0.000 0.993 284 N CA 0.653 53.851 53.050 0.247 0.000 0.759 284 N CB -0.741 37.788 38.487 0.070 0.000 0.906 284 N HN 0.321 nan 8.380 nan 0.000 0.541 285 F N 0.551 120.607 119.950 0.176 0.000 2.635 285 F HA 0.457 4.976 4.527 -0.014 0.000 0.314 285 F C -1.468 174.415 175.800 0.137 0.000 1.119 285 F CA -1.183 56.895 58.000 0.130 0.000 1.000 285 F CB 1.044 40.090 39.000 0.078 0.000 1.278 285 F HN -0.021 nan 8.300 nan 0.000 0.446 286 F N 5.750 125.178 119.950 -0.869 0.000 2.415 286 F HA 0.512 5.030 4.527 -0.014 0.000 0.348 286 F C -0.599 174.655 175.800 -0.910 0.000 1.119 286 F CA -0.157 57.416 58.000 -0.712 0.000 1.069 286 F CB 0.851 39.527 39.000 -0.539 0.000 1.124 286 F HN 0.580 nan 8.300 nan 0.000 0.472 287 E N 4.036 123.483 120.200 -1.255 0.000 2.185 287 E HA 0.298 4.640 4.350 -0.014 0.000 0.261 287 E C -0.150 175.649 176.600 -1.334 0.000 0.879 287 E CA -0.781 55.011 56.400 -1.013 0.000 0.756 287 E CB 1.458 30.950 29.700 -0.347 0.000 1.152 287 E HN 0.933 nan 8.360 nan 0.000 0.416 288 G N 5.133 113.149 108.800 -1.307 0.000 3.284 288 G HA2 0.011 3.963 3.960 -0.014 0.000 0.251 288 G HA3 0.011 3.963 3.960 -0.014 0.000 0.251 288 G C -0.011 174.817 174.900 -0.121 0.000 0.913 288 G CA -0.132 44.431 45.100 -0.896 0.000 1.947 288 G HN 0.176 nan 8.290 nan 0.000 0.635 289 K N 0.577 120.951 120.400 -0.044 0.000 2.156 289 K HA 0.173 4.484 4.320 -0.014 0.000 0.271 289 K C 0.995 177.727 176.600 0.219 0.000 0.995 289 K CA -0.615 55.735 56.287 0.104 0.000 0.890 289 K CB 2.189 34.734 32.500 0.075 0.000 1.073 289 K HN 0.446 nan 8.250 nan 0.000 0.454 290 E N 2.070 122.370 120.200 0.165 0.000 2.097 290 E HA -0.231 4.111 4.350 -0.014 0.000 0.196 290 E C 1.495 178.121 176.600 0.044 0.000 1.000 290 E CA 1.159 57.609 56.400 0.083 0.000 0.804 290 E CB 0.157 29.910 29.700 0.088 0.000 0.740 290 E HN 0.417 nan 8.360 nan 0.000 0.454 291 L N 1.349 122.640 121.223 0.114 0.000 2.042 291 L HA -0.192 4.140 4.340 -0.014 0.000 0.210 291 L C 2.504 179.472 176.870 0.164 0.000 1.076 291 L CA 1.909 56.836 54.840 0.144 0.000 0.749 291 L CB -0.552 41.657 42.059 0.250 0.000 0.893 291 L HN 0.030 nan 8.230 nan 0.000 0.432 292 R N -0.599 119.951 120.500 0.084 0.000 2.081 292 R HA -0.171 4.161 4.340 -0.014 0.000 0.235 292 R C 2.120 178.466 176.300 0.077 0.000 1.131 292 R CA 1.923 58.004 56.100 -0.033 0.000 0.960 292 R CB -1.054 29.025 30.300 -0.368 0.000 0.856 292 R HN 0.413 nan 8.270 nan 0.000 0.436 293 L N 0.929 122.103 121.223 -0.081 0.000 2.046 293 L HA -0.093 4.239 4.340 -0.014 0.000 0.208 293 L C 1.741 178.547 176.870 -0.106 0.000 1.077 293 L CA 1.930 56.506 54.840 -0.439 0.000 0.747 293 L CB -0.443 41.057 42.059 -0.932 0.000 0.896 293 L HN 0.167 nan 8.230 nan 0.000 0.432 294 K N -0.990 119.394 120.400 -0.026 0.000 2.063 294 K HA -0.209 4.103 4.320 -0.014 0.000 0.208 294 K C 2.093 178.857 176.600 0.274 0.000 1.048 294 K CA 1.847 58.187 56.287 0.088 0.000 0.928 294 K CB -0.196 32.175 32.500 -0.215 0.000 0.713 294 K HN 0.520 nan 8.250 nan 0.000 0.442 295 Q N 0.588 120.518 119.800 0.216 0.000 2.084 295 Q HA -0.180 4.152 4.340 -0.014 0.000 0.202 295 Q C 1.962 178.169 176.000 0.345 0.000 0.978 295 Q CA 1.389 57.379 55.803 0.311 0.000 0.844 295 Q CB -0.014 28.931 28.738 0.345 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.426 296 E N -0.141 120.214 120.200 0.259 0.000 2.077 296 E HA -0.216 4.126 4.350 -0.014 0.000 0.193 296 E C 1.738 178.455 176.600 0.195 0.000 0.989 296 E CA 1.076 57.610 56.400 0.224 0.000 0.800 296 E CB -0.138 29.672 29.700 0.184 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.378 120.727 120.300 0.083 0.000 2.263 297 Y HA -0.194 4.347 4.550 -0.014 0.000 0.292 297 Y C 1.964 177.896 175.900 0.054 0.000 1.130 297 Y CA 0.993 59.094 58.100 0.002 0.000 1.179 297 Y CB -0.370 38.056 38.460 -0.057 0.000 0.998 297 Y HN 0.012 nan 8.280 nan 0.000 0.532 298 F N -0.314 119.628 119.950 -0.014 0.000 2.091 298 F HA -0.244 4.275 4.527 -0.014 0.000 0.299 298 F C 2.461 178.110 175.800 -0.252 0.000 1.103 298 F CA 2.026 59.967 58.000 -0.098 0.000 1.228 298 F CB -1.032 38.070 39.000 0.170 0.000 0.984 298 F HN -0.056 nan 8.300 nan 0.000 0.477 299 V N -0.529 119.335 119.914 -0.083 0.000 2.427 299 V HA -0.191 3.921 4.120 -0.014 0.000 0.248 299 V C 2.199 178.131 176.094 -0.268 0.000 1.051 299 V CA 1.882 64.096 62.300 -0.142 0.000 1.048 299 V CB -0.340 31.610 31.823 0.212 0.000 0.666 299 V HN 0.261 nan 8.190 nan 0.000 0.456 300 V N 0.364 120.134 119.914 -0.240 0.000 2.358 300 V HA -0.171 3.941 4.120 -0.014 0.000 0.246 300 V C 2.770 178.604 176.094 -0.434 0.000 1.047 300 V CA 2.133 64.280 62.300 -0.255 0.000 1.035 300 V CB -0.927 30.810 31.823 -0.144 0.000 0.658 300 V HN 0.644 nan 8.190 nan 0.000 0.452 301 A N -0.309 122.082 122.820 -0.715 0.000 1.872 301 A HA -0.029 4.283 4.320 -0.014 0.000 0.214 301 A C 2.389 179.598 177.584 -0.625 0.000 1.187 301 A CA 1.875 53.486 52.037 -0.711 0.000 0.614 301 A CB -0.744 17.620 19.000 -1.061 0.000 0.826 301 A HN 0.545 nan 8.150 nan 0.000 0.442 302 A N -0.938 121.345 122.820 -0.896 0.000 1.898 302 A HA -0.057 4.255 4.320 -0.014 0.000 0.216 302 A C 2.309 179.389 177.584 -0.840 0.000 1.181 302 A CA 2.259 53.581 52.037 -1.192 0.000 0.620 302 A CB -1.269 16.366 19.000 -2.274 0.000 0.819 302 A HN 0.417 nan 8.150 nan 0.000 0.442 303 T N 0.342 114.535 114.554 -0.602 0.000 2.708 303 T HA -0.124 4.218 4.350 -0.014 0.000 0.266 303 T C 1.762 176.192 174.700 -0.450 0.000 1.037 303 T CA 1.629 63.492 62.100 -0.395 0.000 1.146 303 T CB -0.363 68.275 68.868 -0.383 0.000 0.865 303 T HN 0.207 nan 8.240 nan 0.000 0.435 304 L N 1.122 122.129 121.223 -0.360 0.000 2.083 304 L HA -0.087 4.245 4.340 -0.014 0.000 0.209 304 L C 2.671 179.427 176.870 -0.191 0.000 1.083 304 L CA 1.635 56.317 54.840 -0.262 0.000 0.752 304 L CB -0.833 41.111 42.059 -0.191 0.000 0.899 304 L HN 0.307 nan 8.230 nan 0.000 0.433 305 Q N -1.045 118.641 119.800 -0.190 0.000 2.084 305 Q HA -0.251 4.081 4.340 -0.014 0.000 0.202 305 Q C 1.879 177.856 176.000 -0.039 0.000 0.978 305 Q CA 1.696 57.441 55.803 -0.097 0.000 0.844 305 Q CB -0.174 28.496 28.738 -0.114 0.000 0.898 305 Q HN 0.444 nan 8.270 nan 0.000 0.426 306 D N 0.436 120.804 120.400 -0.054 0.000 2.117 306 D HA -0.117 4.515 4.640 -0.014 0.000 0.197 306 D C 1.656 177.909 176.300 -0.077 0.000 0.987 306 D CA 0.907 54.924 54.000 0.028 0.000 0.829 306 D CB -0.043 40.879 40.800 0.203 0.000 0.961 306 D HN 0.157 nan 8.370 nan 0.000 0.460 307 I N 0.091 120.498 120.570 -0.271 0.000 2.163 307 I HA -0.259 3.903 4.170 -0.014 0.000 0.243 307 I C 2.309 178.436 176.117 0.017 0.000 1.085 307 I CA 0.827 61.906 61.300 -0.369 0.000 1.347 307 I CB -0.166 37.460 38.000 -0.622 0.000 1.044 307 I HN 0.062 nan 8.210 nan 0.000 0.408 308 I N 0.196 120.837 120.570 0.117 0.000 2.252 308 I HA -0.292 3.870 4.170 -0.014 0.000 0.245 308 I C 2.762 179.051 176.117 0.285 0.000 1.102 308 I CA 1.172 62.659 61.300 0.311 0.000 1.385 308 I CB -0.384 37.747 38.000 0.218 0.000 1.064 308 I HN 0.179 nan 8.210 nan 0.000 0.414 309 R N 1.171 121.771 120.500 0.166 0.000 2.083 309 R HA -0.234 4.098 4.340 -0.014 0.000 0.237 309 R C 2.502 178.892 176.300 0.149 0.000 1.137 309 R CA 1.822 58.012 56.100 0.150 0.000 0.951 309 R CB -0.283 30.097 30.300 0.134 0.000 0.851 309 R HN 0.192 nan 8.270 nan 0.000 0.434 310 R N -0.663 119.919 120.500 0.135 0.000 2.096 310 R HA -0.161 4.171 4.340 -0.014 0.000 0.235 310 R C 2.154 178.550 176.300 0.159 0.000 1.127 310 R CA 1.658 57.838 56.100 0.133 0.000 0.968 310 R CB -0.362 29.997 30.300 0.098 0.000 0.861 310 R HN 0.318 nan 8.270 nan 0.000 0.440 311 F N 1.433 121.421 119.950 0.063 0.000 2.146 311 F HA -0.117 4.402 4.527 -0.014 0.000 0.298 311 F C 1.720 177.531 175.800 0.018 0.000 1.096 311 F CA 1.554 59.581 58.000 0.046 0.000 1.275 311 F CB 0.035 39.112 39.000 0.129 0.000 1.008 311 F HN -0.131 nan 8.300 nan 0.000 0.480 312 K N -0.234 120.142 120.400 -0.040 0.000 2.148 312 K HA -0.035 4.277 4.320 -0.014 0.000 0.204 312 K C 1.502 178.014 176.600 -0.148 0.000 1.050 312 K CA 1.269 57.454 56.287 -0.169 0.000 0.942 312 K CB -0.271 32.243 32.500 0.023 0.000 0.724 312 K HN 0.102 nan 8.250 nan 0.000 0.446 313 S N 1.429 117.109 115.700 -0.035 0.000 2.859 313 S HA 0.086 4.548 4.470 -0.014 0.000 0.245 313 S C 0.174 174.770 174.600 -0.007 0.000 1.008 313 S CA -0.248 57.970 58.200 0.030 0.000 1.089 313 S CB 0.019 63.298 63.200 0.132 0.000 0.798 313 S HN 0.125 nan 8.310 nan 0.000 0.477 325 N N 1.206 119.877 118.700 -0.048 0.000 2.500 325 N HA 0.428 5.159 4.740 -0.014 0.000 0.236 325 N C -0.377 175.185 175.510 0.087 0.000 1.022 325 N CA -0.624 52.461 53.050 0.058 0.000 0.935 325 N CB -0.095 38.426 38.487 0.058 0.000 1.147 325 N HN 0.175 nan 8.380 nan 0.000 0.512 326 F N 0.991 121.046 119.950 0.174 0.000 2.811 326 F HA 0.103 4.622 4.527 -0.014 0.000 0.301 326 F C 1.347 177.207 175.800 0.101 0.000 1.151 326 F CA 0.012 58.079 58.000 0.113 0.000 1.412 326 F CB 0.236 39.183 39.000 -0.089 0.000 1.113 326 F HN 0.442 nan 8.300 nan 0.000 0.579 327 D N 0.545 121.082 120.400 0.228 0.000 2.182 327 D HA -0.185 4.447 4.640 -0.014 0.000 0.201 327 D C 2.200 178.591 176.300 0.152 0.000 0.986 327 D CA 1.375 55.468 54.000 0.154 0.000 0.847 327 D CB -0.186 40.681 40.800 0.112 0.000 0.942 327 D HN 0.239 nan 8.370 nan 0.000 0.467 328 A N -0.894 122.044 122.820 0.197 0.000 2.251 328 A HA 0.091 4.403 4.320 -0.014 0.000 0.209 328 A C 1.662 179.374 177.584 0.213 0.000 1.187 328 A CA -0.239 51.914 52.037 0.194 0.000 0.823 328 A CB -0.749 18.370 19.000 0.199 0.000 0.846 328 A HN 0.205 nan 8.150 nan 0.000 0.486 329 F N 1.926 121.847 119.950 -0.049 0.000 2.065 329 F HA -0.157 4.362 4.527 -0.013 0.000 0.298 329 F C -0.756 174.946 175.800 -0.165 0.000 1.112 329 F CA 2.638 60.399 58.000 -0.398 0.000 1.212 329 F CB -0.559 38.191 39.000 -0.416 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.089 nan 4.420 nan 0.000 0.226 330 P C 0.680 177.943 177.300 -0.062 0.000 1.153 330 P CA 1.385 64.461 63.100 -0.041 0.000 0.777 330 P CB -0.084 31.617 31.700 0.002 0.000 0.794 331 D N -0.703 119.683 120.400 -0.025 0.000 2.317 331 D HA -0.036 4.596 4.640 -0.014 0.000 0.211 331 D C 1.492 177.781 176.300 -0.019 0.000 0.966 331 D CA 0.927 54.922 54.000 -0.007 0.000 0.876 331 D CB 0.113 40.928 40.800 0.026 0.000 0.927 331 D HN 0.151 nan 8.370 nan 0.000 0.519 332 K N -0.012 120.357 120.400 -0.051 0.000 2.412 332 K HA 0.212 4.524 4.320 -0.014 0.000 0.202 332 K C -0.103 176.419 176.600 -0.131 0.000 1.102 332 K CA 0.064 56.331 56.287 -0.033 0.000 1.027 332 K CB 2.366 34.948 32.500 0.137 0.000 0.931 332 K HN -0.067 nan 8.250 nan 0.000 0.557 333 V N 1.112 120.865 119.914 -0.269 0.000 2.623 333 V HA 0.588 4.699 4.120 -0.014 0.000 0.304 333 V C -1.057 174.951 176.094 -0.143 0.000 1.054 333 V CA -1.263 60.873 62.300 -0.274 0.000 0.882 333 V CB 1.787 33.146 31.823 -0.775 0.000 1.002 333 V HN 0.118 nan 8.190 nan 0.000 0.424 334 A N 5.842 128.623 122.820 -0.065 0.000 2.331 334 A HA 0.931 5.243 4.320 -0.014 0.000 0.320 334 A C -0.906 176.700 177.584 0.036 0.000 1.138 334 A CA -0.510 51.522 52.037 -0.008 0.000 0.790 334 A CB 0.967 19.919 19.000 -0.079 0.000 1.206 334 A HN 0.774 nan 8.150 nan 0.000 0.470 335 I N 1.809 122.446 120.570 0.111 0.000 2.382 335 I HA 0.293 4.455 4.170 -0.014 0.000 0.286 335 I C -0.307 175.898 176.117 0.146 0.000 1.002 335 I CA -0.535 60.842 61.300 0.128 0.000 1.135 335 I CB 1.907 39.966 38.000 0.099 0.000 1.288 335 I HN 0.695 nan 8.210 nan 0.000 0.448 336 Q N 6.757 126.638 119.800 0.134 0.000 2.314 336 Q HA 0.507 4.838 4.340 -0.014 0.000 0.259 336 Q C -1.326 174.668 176.000 -0.010 0.000 0.951 336 Q CA -0.252 55.653 55.803 0.170 0.000 0.909 336 Q CB 1.305 30.242 28.738 0.333 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.806 125.065 121.223 0.060 0.000 2.261 337 L HA 0.399 4.731 4.340 -0.014 0.000 0.289 337 L C 0.026 176.925 176.870 0.047 0.000 1.059 337 L CA -0.744 54.126 54.840 0.049 0.000 0.816 337 L CB 0.692 42.826 42.059 0.125 0.000 1.191 337 L HN 0.561 nan 8.230 nan 0.000 0.431 338 N N 3.478 122.133 118.700 -0.074 0.000 2.448 338 N HA 0.098 4.830 4.740 -0.014 0.000 0.250 338 N C -0.174 175.354 175.510 0.029 0.000 1.136 338 N CA 0.422 53.475 53.050 0.004 0.000 0.953 338 N CB -0.057 38.352 38.487 -0.130 0.000 1.251 338 N HN 0.685 nan 8.380 nan 0.000 0.502 339 D N -0.402 120.113 120.400 0.191 0.000 3.841 339 D HA -0.255 4.377 4.640 -0.014 0.000 0.276 339 D C 0.406 176.789 176.300 0.139 0.000 2.088 339 D CA 2.036 56.121 54.000 0.142 0.000 1.152 339 D CB -0.365 40.270 40.800 -0.275 0.000 0.944 339 D HN 0.510 nan 8.370 nan 0.000 1.144 340 T N -3.188 111.371 114.554 0.009 0.000 3.129 340 T HA 0.114 4.456 4.350 -0.014 0.000 0.251 340 T C 1.428 176.184 174.700 0.092 0.000 1.117 340 T CA 1.356 63.456 62.100 0.002 0.000 1.034 340 T CB -0.488 68.357 68.868 -0.038 0.000 0.968 340 T HN 0.520 nan 8.240 nan 0.000 0.526 341 H N 2.592 121.756 119.070 0.156 0.000 2.387 341 H HA 0.007 4.555 4.556 -0.014 0.000 0.299 341 H C -0.922 174.500 175.328 0.156 0.000 1.099 341 H CA 0.943 57.097 56.048 0.177 0.000 1.315 341 H CB -0.884 28.985 29.762 0.177 0.000 1.380 341 H HN 0.440 nan 8.280 nan 0.000 0.513 342 P HA 0.094 nan 4.420 nan 0.000 0.262 342 P C 0.687 178.030 177.300 0.073 0.000 1.651 342 P CA 0.285 63.466 63.100 0.134 0.000 1.119 342 P CB 0.413 32.182 31.700 0.116 0.000 1.552 343 S N -0.236 115.499 115.700 0.059 0.000 2.440 343 S HA -0.131 4.331 4.470 -0.014 0.000 0.238 343 S C 1.729 176.330 174.600 0.001 0.000 1.010 343 S CA 0.824 59.019 58.200 -0.009 0.000 0.972 343 S CB -1.479 61.690 63.200 -0.052 0.000 0.774 343 S HN 0.149 nan 8.310 nan 0.000 0.501 344 L N 1.070 122.308 121.223 0.025 0.000 2.450 344 L HA 0.018 4.350 4.340 -0.014 0.000 0.224 344 L C 2.944 179.845 176.870 0.050 0.000 1.149 344 L CA 0.630 55.486 54.840 0.025 0.000 0.816 344 L CB -0.785 41.286 42.059 0.019 0.000 0.932 344 L HN 0.464 nan 8.230 nan 0.000 0.449 345 A N 0.594 123.427 122.820 0.022 0.000 1.986 345 A HA -0.217 4.095 4.320 -0.014 0.000 0.220 345 A C 2.190 179.772 177.584 -0.004 0.000 1.171 345 A CA 1.650 53.686 52.037 -0.002 0.000 0.640 345 A CB -0.510 18.482 19.000 -0.014 0.000 0.811 345 A HN 0.390 nan 8.150 nan 0.000 0.451 346 I N 0.142 120.711 120.570 -0.002 0.000 2.133 346 I HA -0.131 4.030 4.170 -0.014 0.000 0.238 346 I C -0.388 175.746 176.117 0.027 0.000 1.074 346 I CA 1.464 62.761 61.300 -0.006 0.000 1.342 346 I CB -0.911 37.087 38.000 -0.005 0.000 1.053 346 I HN 0.242 nan 8.210 nan 0.000 0.404 347 P HA -0.147 nan 4.420 nan 0.000 0.222 347 P C 1.256 178.590 177.300 0.057 0.000 1.153 347 P CA 1.378 64.516 63.100 0.063 0.000 0.798 347 P CB 0.065 31.821 31.700 0.094 0.000 0.796 348 E N 0.347 120.641 120.200 0.157 0.000 2.072 348 E HA -0.154 4.188 4.350 -0.014 0.000 0.191 348 E C 1.918 178.508 176.600 -0.017 0.000 0.985 348 E CA 0.714 57.217 56.400 0.172 0.000 0.801 348 E CB -1.212 28.629 29.700 0.235 0.000 0.750 348 E HN -0.023 nan 8.360 nan 0.000 0.452 349 L N 0.007 121.188 121.223 -0.070 0.000 2.046 349 L HA -0.125 4.207 4.340 -0.014 0.000 0.208 349 L C 2.108 178.837 176.870 -0.235 0.000 1.077 349 L CA 1.797 56.535 54.840 -0.170 0.000 0.747 349 L CB -0.635 41.324 42.059 -0.166 0.000 0.896 349 L HN 0.245 nan 8.230 nan 0.000 0.432 350 M N -0.820 118.658 119.600 -0.204 0.000 2.080 350 M HA -0.236 4.236 4.480 -0.014 0.000 0.260 350 M C 2.427 178.566 176.300 -0.268 0.000 1.068 350 M CA 1.604 56.731 55.300 -0.288 0.000 1.109 350 M CB -1.271 31.144 32.600 -0.308 0.000 1.342 350 M HN 0.329 nan 8.290 nan 0.000 0.405 351 R N 0.039 120.409 120.500 -0.217 0.000 2.080 351 R HA -0.143 4.189 4.340 -0.014 0.000 0.236 351 R C 2.097 178.293 176.300 -0.173 0.000 1.137 351 R CA 1.868 57.841 56.100 -0.211 0.000 0.943 351 R CB -0.255 29.872 30.300 -0.289 0.000 0.846 351 R HN 0.218 nan 8.270 nan 0.000 0.431 352 V N 1.543 121.353 119.914 -0.173 0.000 2.287 352 V HA -0.274 3.838 4.120 -0.014 0.000 0.248 352 V C 2.448 178.374 176.094 -0.279 0.000 1.053 352 V CA 1.872 64.059 62.300 -0.187 0.000 1.027 352 V CB -0.469 31.241 31.823 -0.187 0.000 0.646 352 V HN 0.351 nan 8.190 nan 0.000 0.447 353 L N -0.633 120.361 121.223 -0.382 0.000 2.046 353 L HA -0.137 4.194 4.340 -0.014 0.000 0.208 353 L C 2.405 179.086 176.870 -0.314 0.000 1.077 353 L CA 1.161 55.708 54.840 -0.489 0.000 0.747 353 L CB -0.623 41.107 42.059 -0.549 0.000 0.896 353 L HN 0.207 nan 8.230 nan 0.000 0.432 354 V N -0.548 119.226 119.914 -0.232 0.000 2.331 354 V HA -0.182 3.930 4.120 -0.014 0.000 0.242 354 V C 1.956 178.006 176.094 -0.074 0.000 1.034 354 V CA 1.706 63.933 62.300 -0.122 0.000 1.027 354 V CB -0.338 31.442 31.823 -0.071 0.000 0.667 354 V HN 0.350 nan 8.190 nan 0.000 0.457 355 D N -0.159 120.192 120.400 -0.082 0.000 2.162 355 D HA 0.001 4.633 4.640 -0.014 0.000 0.203 355 D C 1.989 178.259 176.300 -0.050 0.000 0.967 355 D CA 1.121 55.091 54.000 -0.050 0.000 0.840 355 D CB 0.123 40.892 40.800 -0.053 0.000 0.972 355 D HN 0.327 nan 8.370 nan 0.000 0.482 356 L N 0.096 121.273 121.223 -0.077 0.000 2.388 356 L HA 0.126 4.458 4.340 -0.014 0.000 0.209 356 L C 1.825 178.661 176.870 -0.057 0.000 1.061 356 L CA 0.454 55.259 54.840 -0.058 0.000 0.834 356 L CB 0.226 42.251 42.059 -0.057 0.000 1.029 356 L HN -0.195 nan 8.230 nan 0.000 0.473 357 E N 0.271 120.401 120.200 -0.116 0.000 2.447 357 E HA 0.061 4.403 4.350 -0.014 0.000 0.195 357 E C 0.148 176.710 176.600 -0.064 0.000 1.028 357 E CA -0.035 56.303 56.400 -0.102 0.000 0.876 357 E CB 0.453 29.970 29.700 -0.304 0.000 0.885 357 E HN 0.184 nan 8.360 nan 0.000 0.500 358 R N -0.303 120.155 120.500 -0.070 0.000 3.776 358 R HA -0.180 4.152 4.340 -0.014 0.000 0.312 358 R C -0.291 175.994 176.300 -0.024 0.000 1.181 358 R CA 0.228 56.311 56.100 -0.028 0.000 0.836 358 R CB -2.825 27.477 30.300 0.003 0.000 1.324 358 R HN 0.083 nan 8.270 nan 0.000 0.501 359 L N 2.634 123.814 121.223 -0.072 0.000 2.439 359 L HA 0.090 4.422 4.340 -0.014 0.000 0.269 359 L C 1.542 178.405 176.870 -0.012 0.000 1.179 359 L CA 0.431 55.239 54.840 -0.053 0.000 0.828 359 L CB 0.322 42.301 42.059 -0.132 0.000 1.106 359 L HN 0.137 nan 8.230 nan 0.000 0.467 360 D N 1.366 121.784 120.400 0.031 0.000 2.368 360 D HA -0.152 4.480 4.640 -0.014 0.000 0.240 360 D C 0.960 177.329 176.300 0.115 0.000 1.169 360 D CA -0.510 53.543 54.000 0.088 0.000 0.906 360 D CB 0.671 41.529 40.800 0.096 0.000 1.187 360 D HN 0.623 nan 8.370 nan 0.000 0.435 361 W N 1.812 123.115 121.300 0.006 0.000 2.317 361 W HA -0.232 4.420 4.660 -0.013 0.000 0.318 361 W C 1.085 177.650 176.519 0.077 0.000 1.227 361 W CA 1.913 59.269 57.345 0.018 0.000 1.269 361 W CB -0.282 29.169 29.460 -0.016 0.000 1.155 361 W HN 0.462 nan 8.180 nan 0.000 0.484 362 D N 0.226 120.820 120.400 0.322 0.000 2.144 362 D HA -0.186 4.446 4.640 -0.014 0.000 0.199 362 D C 1.889 178.292 176.300 0.171 0.000 0.984 362 D CA 1.818 55.985 54.000 0.278 0.000 0.834 362 D CB -0.317 40.618 40.800 0.225 0.000 0.955 362 D HN 0.103 nan 8.370 nan 0.000 0.465 363 K N 1.124 121.581 120.400 0.095 0.000 2.031 363 K HA 0.056 4.367 4.320 -0.014 0.000 0.205 363 K C 1.864 178.453 176.600 -0.019 0.000 1.049 363 K CA 1.334 57.649 56.287 0.047 0.000 0.939 363 K CB -0.516 32.008 32.500 0.040 0.000 0.717 363 K HN -0.031 nan 8.250 nan 0.000 0.438 364 A N 0.907 123.673 122.820 -0.091 0.000 1.892 364 A HA -0.220 4.092 4.320 -0.014 0.000 0.218 364 A C 2.256 179.739 177.584 -0.167 0.000 1.188 364 A CA 1.686 53.599 52.037 -0.207 0.000 0.631 364 A CB -1.319 17.492 19.000 -0.314 0.000 0.822 364 A HN 0.715 nan 8.150 nan 0.000 0.447 365 W N 0.529 121.615 121.300 -0.358 0.000 2.358 365 W HA -0.177 4.475 4.660 -0.013 0.000 0.303 365 W C 2.030 178.488 176.519 -0.102 0.000 1.208 365 W CA 1.856 59.041 57.345 -0.267 0.000 1.274 365 W CB -0.137 29.201 29.460 -0.204 0.000 1.138 365 W HN 0.631 nan 8.180 nan 0.000 0.515 366 E N 0.089 120.275 120.200 -0.024 0.000 2.058 366 E HA -0.228 4.114 4.350 -0.014 0.000 0.194 366 E C 2.060 178.581 176.600 -0.132 0.000 0.997 366 E CA 1.963 58.316 56.400 -0.079 0.000 0.801 366 E CB -0.349 29.365 29.700 0.024 0.000 0.746 366 E HN 0.041 nan 8.360 nan 0.000 0.450 367 V N 0.709 120.562 119.914 -0.102 0.000 2.295 367 V HA -0.268 3.844 4.120 -0.014 0.000 0.246 367 V C 2.394 178.421 176.094 -0.111 0.000 1.049 367 V CA 2.210 64.469 62.300 -0.068 0.000 1.024 367 V CB -0.746 31.034 31.823 -0.071 0.000 0.648 367 V HN 0.401 nan 8.190 nan 0.000 0.447 368 T N -0.068 114.346 114.554 -0.234 0.000 2.674 368 T HA -0.177 4.165 4.350 -0.014 0.000 0.265 368 T C 1.948 176.462 174.700 -0.309 0.000 1.039 368 T CA 1.766 63.701 62.100 -0.276 0.000 1.150 368 T CB -0.278 68.370 68.868 -0.368 0.000 0.864 368 T HN 0.269 nan 8.240 nan 0.000 0.427 369 V N 1.406 121.016 119.914 -0.506 0.000 2.287 369 V HA -0.188 3.924 4.120 -0.014 0.000 0.248 369 V C 2.370 178.416 176.094 -0.079 0.000 1.053 369 V CA 1.690 63.752 62.300 -0.396 0.000 1.027 369 V CB -0.492 31.018 31.823 -0.522 0.000 0.646 369 V HN 0.459 nan 8.190 nan 0.000 0.447 370 K N -0.540 119.802 120.400 -0.097 0.000 2.283 370 K HA -0.103 4.209 4.320 -0.014 0.000 0.202 370 K C 2.081 178.660 176.600 -0.034 0.000 1.048 370 K CA 1.569 57.791 56.287 -0.108 0.000 0.948 370 K CB -0.217 32.217 32.500 -0.111 0.000 0.742 370 K HN 0.480 nan 8.250 nan 0.000 0.458 371 T N 0.080 114.666 114.554 0.054 0.000 2.939 371 T HA 0.022 4.364 4.350 -0.014 0.000 0.254 371 T C 0.869 175.679 174.700 0.183 0.000 1.041 371 T CA 0.407 62.574 62.100 0.112 0.000 1.142 371 T CB 0.123 69.088 68.868 0.162 0.000 0.874 371 T HN 0.166 nan 8.240 nan 0.000 0.452 372 C N 2.351 121.740 119.300 0.148 0.000 2.365 372 C HA 0.885 5.337 4.460 -0.014 0.000 0.351 372 C C 0.575 175.616 174.990 0.085 0.000 1.240 372 C CA -1.252 57.830 59.018 0.106 0.000 2.062 372 C CB 0.151 27.893 27.740 0.004 0.000 2.387 372 C HN 0.590 nan 8.230 nan 0.000 0.537 373 A N 2.094 124.961 122.820 0.078 0.000 2.475 373 A HA 0.775 5.086 4.320 -0.014 0.000 0.301 373 A C -1.558 176.095 177.584 0.114 0.000 1.059 373 A CA -0.429 51.599 52.037 -0.014 0.000 0.710 373 A CB 1.061 20.052 19.000 -0.017 0.000 1.288 373 A HN 0.945 nan 8.150 nan 0.000 0.408 374 Y N 1.048 121.292 120.300 -0.093 0.000 2.376 374 Y HA 0.623 5.165 4.550 -0.013 0.000 0.340 374 Y C -0.554 175.323 175.900 -0.039 0.000 0.965 374 Y CA -0.331 57.725 58.100 -0.072 0.000 1.078 374 Y CB 2.037 40.408 38.460 -0.148 0.000 1.193 374 Y HN 0.565 nan 8.280 nan 0.000 0.452 375 T N 6.546 120.890 114.554 -0.350 0.000 2.758 375 T HA 0.174 4.515 4.350 -0.014 0.000 0.285 375 T C -0.700 173.552 174.700 -0.747 0.000 0.981 375 T CA -0.784 61.047 62.100 -0.448 0.000 0.965 375 T CB 0.374 69.219 68.868 -0.039 0.000 0.927 375 T HN 0.646 nan 8.240 nan 0.000 0.448 376 N N 1.922 120.157 118.700 -0.774 0.000 2.499 376 N HA 0.104 4.836 4.740 -0.014 0.000 0.281 376 N C 0.101 175.499 175.510 -0.187 0.000 1.098 376 N CA -0.255 52.584 53.050 -0.351 0.000 0.979 376 N CB 0.703 39.154 38.487 -0.061 0.000 1.121 376 N HN 0.667 nan 8.380 nan 0.000 0.466 377 H N 1.067 120.170 119.070 0.055 0.000 2.893 377 H HA 0.157 4.705 4.556 -0.014 0.000 0.270 377 H C -0.195 175.071 175.328 -0.103 0.000 1.095 377 H CA 0.016 56.053 56.048 -0.019 0.000 1.186 377 H CB 1.137 30.893 29.762 -0.010 0.000 1.562 377 H HN 0.516 nan 8.280 nan 0.000 0.536 378 T N 0.248 114.845 114.554 0.072 0.000 2.886 378 T HA 0.218 4.560 4.350 -0.014 0.000 0.330 378 T C 0.492 175.230 174.700 0.063 0.000 1.488 378 T CA -0.395 61.698 62.100 -0.012 0.000 1.054 378 T CB 1.364 70.221 68.868 -0.019 0.000 1.348 378 T HN -0.036 nan 8.240 nan 0.000 0.489 379 V N 1.958 121.869 119.914 -0.005 0.000 3.578 379 V HA 0.553 4.665 4.120 -0.014 0.000 0.290 379 V C 0.693 176.756 176.094 -0.051 0.000 1.376 379 V CA 0.042 62.325 62.300 -0.028 0.000 1.083 379 V CB -0.459 31.346 31.823 -0.030 0.000 0.911 379 V HN 0.703 nan 8.190 nan 0.000 0.433 380 L N 3.039 124.224 121.223 -0.065 0.000 2.534 380 L HA 0.211 4.543 4.340 -0.014 0.000 0.271 380 L C -0.647 176.229 176.870 0.011 0.000 1.178 380 L CA -1.023 53.802 54.840 -0.025 0.000 0.907 380 L CB 0.754 42.786 42.059 -0.043 0.000 1.164 380 L HN 0.136 nan 8.230 nan 0.000 0.482 381 P HA -0.213 nan 4.420 nan 0.000 0.216 381 P C 1.012 178.327 177.300 0.024 0.000 1.150 381 P CA 1.215 64.320 63.100 0.009 0.000 0.837 381 P CB 0.044 31.752 31.700 0.012 0.000 0.786 382 E N 0.314 120.564 120.200 0.083 0.000 2.418 382 E HA -0.060 4.282 4.350 -0.014 0.000 0.197 382 E C 1.565 178.194 176.600 0.048 0.000 1.026 382 E CA 1.076 57.545 56.400 0.114 0.000 0.862 382 E CB -0.722 29.160 29.700 0.304 0.000 0.799 382 E HN 0.191 nan 8.360 nan 0.000 0.518 383 A N 1.159 124.020 122.820 0.068 0.000 2.195 383 A HA 0.241 4.553 4.320 -0.014 0.000 0.210 383 A C 1.291 178.876 177.584 0.001 0.000 1.165 383 A CA -0.304 51.775 52.037 0.070 0.000 0.806 383 A CB -0.052 19.011 19.000 0.104 0.000 0.847 383 A HN 0.149 nan 8.150 nan 0.000 0.482 384 L N 1.452 122.628 121.223 -0.077 0.000 2.380 384 L HA 0.148 4.480 4.340 -0.014 0.000 0.273 384 L C -0.075 176.471 176.870 -0.541 0.000 1.138 384 L CA -0.214 54.516 54.840 -0.184 0.000 0.832 384 L CB 0.720 42.699 42.059 -0.132 0.000 1.124 384 L HN 0.325 nan 8.230 nan 0.000 0.454 385 E N 4.387 124.180 120.200 -0.679 0.000 2.180 385 E HA 0.206 4.547 4.350 -0.014 0.000 0.283 385 E C -0.641 175.295 176.600 -1.106 0.000 1.061 385 E CA -0.173 55.365 56.400 -1.437 0.000 0.861 385 E CB 0.677 29.909 29.700 -0.781 0.000 1.056 385 E HN 0.403 nan 8.360 nan 0.000 0.407 386 R N 3.858 123.538 120.500 -1.367 0.000 2.407 386 R HA 0.195 4.526 4.340 -0.014 0.000 0.298 386 R C -1.175 174.902 176.300 -0.372 0.000 1.166 386 R CA -0.588 55.168 56.100 -0.573 0.000 1.006 386 R CB 0.807 30.919 30.300 -0.314 0.000 1.145 386 R HN 0.443 nan 8.270 nan 0.000 0.538 387 W N 4.389 125.617 121.300 -0.120 0.000 2.311 387 W HA 0.245 4.897 4.660 -0.014 0.000 0.310 387 W C -1.869 174.626 176.519 -0.038 0.000 1.274 387 W CA -2.084 55.265 57.345 0.008 0.000 1.215 387 W CB 0.632 30.076 29.460 -0.026 0.000 1.227 387 W HN 0.253 nan 8.180 nan 0.000 0.523 388 P HA -0.111 nan 4.420 nan 0.000 0.262 388 P C 0.815 178.074 177.300 -0.068 0.000 1.182 388 P CA 0.272 63.366 63.100 -0.010 0.000 0.761 388 P CB 0.705 32.247 31.700 -0.264 0.000 0.795 389 V N 3.323 123.242 119.914 0.008 0.000 2.392 389 V HA -0.288 3.824 4.120 -0.014 0.000 0.249 389 V C 2.164 178.268 176.094 0.017 0.000 1.059 389 V CA 2.587 64.907 62.300 0.034 0.000 1.051 389 V CB -1.663 30.240 31.823 0.134 0.000 0.658 389 V HN 0.770 nan 8.190 nan 0.000 0.455 390 H N -1.088 118.043 119.070 0.101 0.000 2.456 390 H HA -0.099 4.449 4.556 -0.013 0.000 0.296 390 H C 2.015 177.395 175.328 0.086 0.000 1.079 390 H CA 1.696 57.799 56.048 0.091 0.000 1.322 390 H CB -0.605 29.211 29.762 0.090 0.000 1.388 390 H HN 0.359 nan 8.280 nan 0.000 0.538 391 L N -0.052 120.995 121.223 -0.293 0.000 2.027 391 L HA -0.104 4.227 4.340 -0.014 0.000 0.206 391 L C 2.429 179.250 176.870 -0.080 0.000 1.074 391 L CA 1.081 55.859 54.840 -0.103 0.000 0.745 391 L CB -0.274 41.720 42.059 -0.109 0.000 0.898 391 L HN 0.321 nan 8.230 nan 0.000 0.433 392 L N -0.605 120.549 121.223 -0.116 0.000 2.093 392 L HA -0.233 4.099 4.340 -0.014 0.000 0.208 392 L C 2.502 179.311 176.870 -0.102 0.000 1.085 392 L CA 1.120 55.866 54.840 -0.157 0.000 0.755 392 L CB -0.399 41.554 42.059 -0.175 0.000 0.904 392 L HN 0.314 nan 8.230 nan 0.000 0.435 393 E N -0.397 119.786 120.200 -0.028 0.000 2.085 393 E HA -0.223 4.118 4.350 -0.014 0.000 0.194 393 E C 1.928 178.567 176.600 0.065 0.000 0.994 393 E CA 1.999 58.414 56.400 0.026 0.000 0.801 393 E CB 0.129 29.884 29.700 0.091 0.000 0.743 393 E HN 0.410 nan 8.360 nan 0.000 0.453 394 T N 0.640 115.257 114.554 0.105 0.000 2.809 394 T HA -0.079 4.263 4.350 -0.014 0.000 0.260 394 T C 1.734 176.554 174.700 0.201 0.000 1.039 394 T CA 0.813 63.030 62.100 0.195 0.000 1.141 394 T CB -0.160 68.854 68.868 0.244 0.000 0.869 394 T HN 0.073 nan 8.240 nan 0.000 0.437 395 L N 0.037 121.273 121.223 0.022 0.000 2.095 395 L HA 0.322 4.654 4.340 -0.014 0.000 0.204 395 L C 0.497 177.309 176.870 -0.096 0.000 1.080 395 L CA 1.631 56.362 54.840 -0.182 0.000 0.759 395 L CB 0.013 41.925 42.059 -0.245 0.000 0.914 395 L HN 0.179 nan 8.230 nan 0.000 0.439 396 L N 0.590 121.714 121.223 -0.164 0.000 2.625 396 L HA 0.280 4.612 4.340 -0.014 0.000 0.255 396 L C -1.685 174.999 176.870 -0.311 0.000 1.493 396 L CA -0.938 53.713 54.840 -0.316 0.000 0.796 396 L CB 0.825 42.550 42.059 -0.557 0.000 1.064 396 L HN -0.036 nan 8.230 nan 0.000 0.516 397 P HA -0.207 nan 4.420 nan 0.000 0.216 397 P C 1.457 178.559 177.300 -0.330 0.000 1.150 397 P CA 1.175 64.154 63.100 -0.203 0.000 0.837 397 P CB 0.378 32.035 31.700 -0.072 0.000 0.786 398 R N -0.167 119.949 120.500 -0.641 0.000 2.092 398 R HA -0.133 4.199 4.340 -0.014 0.000 0.231 398 R C 2.309 178.290 176.300 -0.531 0.000 1.119 398 R CA 1.641 57.369 56.100 -0.620 0.000 0.970 398 R CB -1.647 28.121 30.300 -0.887 0.000 0.864 398 R HN 0.253 nan 8.270 nan 0.000 0.440 399 H N -0.341 118.410 119.070 -0.531 0.000 2.387 399 H HA -0.043 4.504 4.556 -0.014 0.000 0.299 399 H C 1.813 176.962 175.328 -0.299 0.000 1.090 399 H CA 1.606 57.428 56.048 -0.376 0.000 1.332 399 H CB -0.121 29.381 29.762 -0.433 0.000 1.386 399 H HN 0.084 nan 8.280 nan 0.000 0.516 400 L N 0.525 121.615 121.223 -0.223 0.000 2.046 400 L HA -0.259 4.073 4.340 -0.014 0.000 0.208 400 L C 1.898 178.548 176.870 -0.365 0.000 1.077 400 L CA 1.629 56.264 54.840 -0.342 0.000 0.747 400 L CB -0.281 41.593 42.059 -0.309 0.000 0.896 400 L HN 0.453 nan 8.230 nan 0.000 0.432 401 Q N -0.381 119.322 119.800 -0.161 0.000 2.084 401 Q HA -0.228 4.104 4.340 -0.014 0.000 0.202 401 Q C 2.165 178.179 176.000 0.023 0.000 0.978 401 Q CA 1.565 57.372 55.803 0.006 0.000 0.844 401 Q CB -0.077 28.674 28.738 0.022 0.000 0.898 401 Q HN 0.557 nan 8.270 nan 0.000 0.426 402 I N 0.395 120.957 120.570 -0.014 0.000 2.252 402 I HA -0.262 3.900 4.170 -0.014 0.000 0.245 402 I C 2.123 178.319 176.117 0.132 0.000 1.102 402 I CA 0.985 62.364 61.300 0.131 0.000 1.385 402 I CB -0.103 37.928 38.000 0.051 0.000 1.064 402 I HN 0.185 nan 8.210 nan 0.000 0.414 403 I N -0.473 120.090 120.570 -0.012 0.000 2.226 403 I HA -0.324 3.838 4.170 -0.014 0.000 0.245 403 I C 2.383 178.517 176.117 0.029 0.000 1.100 403 I CA 1.434 62.715 61.300 -0.031 0.000 1.374 403 I CB -0.403 37.510 38.000 -0.145 0.000 1.057 403 I HN 0.164 nan 8.210 nan 0.000 0.413 404 Y N 0.863 121.169 120.300 0.010 0.000 2.181 404 Y HA -0.275 4.267 4.550 -0.014 0.000 0.288 404 Y C 2.616 178.483 175.900 -0.055 0.000 1.146 404 Y CA 1.537 59.628 58.100 -0.014 0.000 1.164 404 Y CB -0.828 37.616 38.460 -0.027 0.000 0.982 404 Y HN 0.187 nan 8.280 nan 0.000 0.515 405 E N 0.384 120.624 120.200 0.066 0.000 2.077 405 E HA -0.150 4.192 4.350 -0.014 0.000 0.193 405 E C 2.101 178.615 176.600 -0.143 0.000 0.989 405 E CA 1.307 57.602 56.400 -0.175 0.000 0.800 405 E CB -0.545 28.880 29.700 -0.459 0.000 0.746 405 E HN 0.470 nan 8.360 nan 0.000 0.452 406 I N 0.652 121.248 120.570 0.044 0.000 2.163 406 I HA -0.300 3.862 4.170 -0.014 0.000 0.243 406 I C 2.276 178.401 176.117 0.013 0.000 1.085 406 I CA 1.450 62.736 61.300 -0.024 0.000 1.347 406 I CB -0.411 37.583 38.000 -0.010 0.000 1.044 406 I HN 0.213 nan 8.210 nan 0.000 0.408 407 N N 0.709 119.461 118.700 0.087 0.000 2.120 407 N HA -0.267 4.465 4.740 -0.014 0.000 0.188 407 N C 1.861 177.456 175.510 0.143 0.000 1.024 407 N CA 1.532 54.681 53.050 0.165 0.000 0.852 407 N CB -0.140 38.462 38.487 0.190 0.000 1.003 407 N HN 0.331 nan 8.380 nan 0.000 0.424 408 Q N 0.047 119.876 119.800 0.047 0.000 2.020 408 Q HA -0.123 4.209 4.340 -0.014 0.000 0.202 408 Q C 2.035 178.018 176.000 -0.029 0.000 0.982 408 Q CA 1.447 57.242 55.803 -0.014 0.000 0.838 408 Q CB -0.014 28.675 28.738 -0.082 0.000 0.899 408 Q HN 0.359 nan 8.270 nan 0.000 0.423 409 R N -0.686 119.774 120.500 -0.066 0.000 2.092 409 R HA -0.122 4.209 4.340 -0.014 0.000 0.231 409 R C 2.180 178.500 176.300 0.035 0.000 1.119 409 R CA 1.325 57.384 56.100 -0.068 0.000 0.970 409 R CB -0.374 29.833 30.300 -0.155 0.000 0.864 409 R HN 0.287 nan 8.270 nan 0.000 0.440 410 F N 1.468 121.390 119.950 -0.047 0.000 2.102 410 F HA -0.120 4.399 4.527 -0.014 0.000 0.298 410 F C 1.851 177.672 175.800 0.034 0.000 1.105 410 F CA 1.391 59.411 58.000 0.034 0.000 1.239 410 F CB -0.207 38.844 39.000 0.085 0.000 0.991 410 F HN -0.112 nan 8.300 nan 0.000 0.474 411 L N 0.018 121.251 121.223 0.018 0.000 2.201 411 L HA -0.233 4.099 4.340 -0.014 0.000 0.212 411 L C 1.972 178.776 176.870 -0.110 0.000 1.105 411 L CA 1.550 56.338 54.840 -0.085 0.000 0.775 411 L CB -0.901 41.172 42.059 0.023 0.000 0.913 411 L HN 0.268 nan 8.230 nan 0.000 0.440 412 N N -0.147 118.507 118.700 -0.076 0.000 2.166 412 N HA -0.172 4.560 4.740 -0.014 0.000 0.186 412 N C 1.909 177.366 175.510 -0.089 0.000 1.019 412 N CA 0.789 53.796 53.050 -0.072 0.000 0.856 412 N CB -0.014 38.438 38.487 -0.058 0.000 0.993 412 N HN 0.284 nan 8.380 nan 0.000 0.426 413 R N 0.528 120.956 120.500 -0.121 0.000 2.092 413 R HA -0.037 4.295 4.340 -0.014 0.000 0.231 413 R C 2.173 178.378 176.300 -0.159 0.000 1.119 413 R CA 0.795 56.819 56.100 -0.127 0.000 0.970 413 R CB -0.223 30.007 30.300 -0.117 0.000 0.864 413 R HN 0.074 nan 8.270 nan 0.000 0.440 414 V N 0.846 120.610 119.914 -0.249 0.000 2.295 414 V HA -0.231 3.881 4.120 -0.014 0.000 0.246 414 V C 2.410 178.505 176.094 0.001 0.000 1.049 414 V CA 1.955 64.174 62.300 -0.136 0.000 1.024 414 V CB -0.742 30.920 31.823 -0.269 0.000 0.648 414 V HN 0.405 nan 8.190 nan 0.000 0.447 415 A N 0.070 122.861 122.820 -0.048 0.000 1.940 415 A HA -0.149 4.163 4.320 -0.014 0.000 0.219 415 A C 2.366 179.933 177.584 -0.028 0.000 1.176 415 A CA 2.251 54.275 52.037 -0.021 0.000 0.631 415 A CB -0.703 18.275 19.000 -0.037 0.000 0.814 415 A HN 0.592 nan 8.150 nan 0.000 0.446 416 A N -0.718 122.067 122.820 -0.057 0.000 1.970 416 A HA 0.348 4.659 4.320 -0.014 0.000 0.216 416 A C 2.372 179.880 177.584 -0.127 0.000 1.170 416 A CA 1.579 53.571 52.037 -0.075 0.000 0.645 416 A CB -0.662 18.297 19.000 -0.069 0.000 0.816 416 A HN 0.949 nan 8.150 nan 0.000 0.447 417 A N -1.487 121.228 122.820 -0.176 0.000 1.970 417 A HA 0.337 4.649 4.320 -0.014 0.000 0.216 417 A C 0.501 177.687 177.584 -0.663 0.000 1.170 417 A CA 0.610 52.391 52.037 -0.428 0.000 0.645 417 A CB -0.208 18.498 19.000 -0.491 0.000 0.816 417 A HN 0.422 nan 8.150 nan 0.000 0.447 418 F N 0.058 119.961 119.950 -0.079 0.000 2.584 418 F HA 0.336 4.855 4.527 -0.014 0.000 0.328 418 F C -2.776 172.987 175.800 -0.061 0.000 1.407 418 F CA -2.732 55.227 58.000 -0.069 0.000 1.145 418 F CB 0.929 39.880 39.000 -0.083 0.000 1.440 418 F HN -0.050 nan 8.300 nan 0.000 0.580 419 P HA 0.247 nan 4.420 nan 0.000 0.267 419 P C 0.992 178.312 177.300 0.033 0.000 1.205 419 P CA 0.798 63.910 63.100 0.020 0.000 0.765 419 P CB 1.080 32.773 31.700 -0.013 0.000 0.828 420 G N 2.427 111.239 108.800 0.021 0.000 2.225 420 G HA2 -0.234 3.717 3.960 -0.014 0.000 0.254 420 G HA3 -0.234 3.717 3.960 -0.014 0.000 0.254 420 G C 0.310 175.219 174.900 0.015 0.000 0.988 420 G CA -0.005 45.103 45.100 0.014 0.000 0.625 420 G HN 0.601 nan 8.290 nan 0.000 0.527 421 D N 1.560 121.978 120.400 0.030 0.000 2.551 421 D HA 0.376 5.008 4.640 -0.014 0.000 0.223 421 D C 2.112 178.401 176.300 -0.018 0.000 1.144 421 D CA 0.434 54.438 54.000 0.006 0.000 1.025 421 D CB 0.412 41.217 40.800 0.007 0.000 1.085 421 D HN 0.632 nan 8.370 nan 0.000 0.506 422 V N 0.716 120.622 119.914 -0.015 0.000 2.515 422 V HA -0.137 3.975 4.120 -0.014 0.000 0.250 422 V C 1.769 177.849 176.094 -0.022 0.000 1.058 422 V CA 1.510 63.801 62.300 -0.016 0.000 1.064 422 V CB -0.408 31.409 31.823 -0.009 0.000 0.675 422 V HN 0.202 nan 8.190 nan 0.000 0.461 423 D N 0.439 120.823 120.400 -0.028 0.000 2.144 423 D HA -0.170 4.462 4.640 -0.014 0.000 0.200 423 D C 2.334 178.604 176.300 -0.050 0.000 0.978 423 D CA 1.378 55.361 54.000 -0.028 0.000 0.833 423 D CB -0.227 40.558 40.800 -0.026 0.000 0.961 423 D HN 0.446 nan 8.370 nan 0.000 0.470 424 R N -0.148 120.297 120.500 -0.092 0.000 2.091 424 R HA -0.110 4.222 4.340 -0.014 0.000 0.238 424 R C 2.302 178.528 176.300 -0.123 0.000 1.136 424 R CA 0.971 56.977 56.100 -0.157 0.000 0.959 424 R CB -0.281 29.860 30.300 -0.264 0.000 0.856 424 R HN 0.260 nan 8.270 nan 0.000 0.437 425 L N 0.516 121.693 121.223 -0.078 0.000 2.012 425 L HA -0.233 4.099 4.340 -0.014 0.000 0.210 425 L C 2.713 179.585 176.870 0.002 0.000 1.073 425 L CA 2.019 56.833 54.840 -0.042 0.000 0.748 425 L CB -0.533 41.512 42.059 -0.025 0.000 0.891 425 L HN 0.306 nan 8.230 nan 0.000 0.431 426 R N 0.051 120.558 120.500 0.011 0.000 2.115 426 R HA -0.099 4.233 4.340 -0.014 0.000 0.226 426 R C 2.179 178.527 176.300 0.079 0.000 1.100 426 R CA 0.978 57.106 56.100 0.048 0.000 0.980 426 R CB -0.501 29.823 30.300 0.038 0.000 0.875 426 R HN 0.193 nan 8.270 nan 0.000 0.445 427 R N 0.179 120.707 120.500 0.047 0.000 2.092 427 R HA 0.079 4.411 4.340 -0.014 0.000 0.231 427 R C 2.044 178.422 176.300 0.131 0.000 1.119 427 R CA 1.871 58.023 56.100 0.087 0.000 0.970 427 R CB -0.200 30.113 30.300 0.021 0.000 0.864 427 R HN 0.338 nan 8.270 nan 0.000 0.440 428 M N 0.078 119.678 119.600 0.000 0.000 2.509 428 M HA 0.044 4.516 4.480 -0.014 0.000 0.250 428 M C 0.852 177.287 176.300 0.225 0.000 1.132 428 M CA -0.011 55.234 55.300 -0.093 0.000 1.080 428 M CB 0.457 32.850 32.600 -0.346 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 1.151 117.001 115.700 0.250 0.000 2.558 429 S HA 0.053 4.515 4.470 -0.014 0.000 0.288 429 S C 1.168 176.015 174.600 0.411 0.000 1.318 429 S CA -0.254 58.123 58.200 0.295 0.000 1.056 429 S CB 0.564 63.885 63.200 0.201 0.000 0.853 429 S HN 0.371 nan 8.310 nan 0.000 0.505 430 L N 4.132 125.553 121.223 0.329 0.000 2.291 430 L HA 0.077 4.409 4.340 -0.014 0.000 0.214 430 L C 0.399 177.382 176.870 0.188 0.000 1.120 430 L CA 0.390 55.387 54.840 0.261 0.000 0.799 430 L CB -0.458 41.693 42.059 0.154 0.000 0.925 430 L HN 0.413 nan 8.230 nan 0.000 0.446 431 V N 1.012 121.047 119.914 0.202 0.000 2.364 431 V HA 0.144 4.256 4.120 -0.014 0.000 0.272 431 V C 0.179 176.363 176.094 0.150 0.000 1.036 431 V CA -0.542 61.865 62.300 0.179 0.000 0.880 431 V CB 1.245 33.205 31.823 0.229 0.000 0.991 431 V HN 0.177 nan 8.190 nan 0.000 0.460 432 E N 3.417 123.686 120.200 0.115 0.000 2.200 432 E HA 0.351 4.693 4.350 -0.014 0.000 0.283 432 E C -0.599 176.053 176.600 0.088 0.000 1.015 432 E CA -0.480 55.976 56.400 0.094 0.000 0.819 432 E CB 1.666 31.402 29.700 0.059 0.000 1.081 432 E HN 0.620 nan 8.360 nan 0.000 0.397 433 E N 0.874 121.122 120.200 0.079 0.000 2.349 433 E HA 0.595 4.937 4.350 -0.014 0.000 0.262 433 E C 0.112 176.748 176.600 0.060 0.000 1.088 433 E CA 0.246 56.687 56.400 0.068 0.000 0.899 433 E CB 1.508 31.241 29.700 0.055 0.000 1.044 433 E HN 0.639 nan 8.360 nan 0.000 0.420 434 G N -0.232 108.602 108.800 0.057 0.000 2.351 434 G HA2 0.314 4.266 3.960 -0.014 0.000 0.279 434 G HA3 0.314 4.266 3.960 -0.014 0.000 0.279 434 G C 0.300 175.232 174.900 0.053 0.000 1.297 434 G CA -0.007 45.124 45.100 0.051 0.000 0.886 434 G HN 0.558 nan 8.290 nan 0.000 0.493 435 A N -0.858 121.993 122.820 0.051 0.000 1.852 435 A HA 0.269 4.581 4.320 -0.014 0.000 0.217 435 A C 1.742 179.368 177.584 0.070 0.000 1.215 435 A CA 3.631 55.699 52.037 0.052 0.000 0.641 435 A CB -1.305 17.723 19.000 0.048 0.000 0.838 435 A HN 2.292 nan 8.150 nan 0.000 0.450 436 V N -2.483 117.483 119.914 0.088 0.000 2.398 436 V HA 0.501 4.613 4.120 -0.014 0.000 0.286 436 V C -0.271 175.893 176.094 0.117 0.000 1.026 436 V CA -1.298 61.078 62.300 0.126 0.000 0.868 436 V CB 1.190 33.119 31.823 0.175 0.000 0.982 436 V HN 0.347 nan 8.190 nan 0.000 0.443 437 K N 4.397 124.873 120.400 0.128 0.000 2.401 437 K HA 0.401 4.713 4.320 -0.014 0.000 0.278 437 K C -0.246 176.423 176.600 0.115 0.000 1.018 437 K CA 0.014 56.373 56.287 0.120 0.000 0.981 437 K CB 0.716 33.299 32.500 0.139 0.000 0.933 437 K HN 0.756 nan 8.250 nan 0.000 0.477 438 R N 1.755 122.311 120.500 0.093 0.000 2.837 438 R HA 0.458 4.790 4.340 -0.014 0.000 0.271 438 R C -0.616 175.722 176.300 0.062 0.000 0.993 438 R CA -1.005 55.137 56.100 0.070 0.000 0.931 438 R CB 1.319 31.640 30.300 0.034 0.000 1.206 438 R HN 0.373 nan 8.270 nan 0.000 0.474 439 I N 2.053 122.655 120.570 0.052 0.000 2.321 439 I HA 0.144 4.306 4.170 -0.014 0.000 0.291 439 I C -0.061 176.037 176.117 -0.033 0.000 0.998 439 I CA -0.700 60.619 61.300 0.031 0.000 1.227 439 I CB 1.010 39.028 38.000 0.031 0.000 1.368 439 I HN 0.492 nan 8.210 nan 0.000 0.466 440 N N 7.169 125.825 118.700 -0.074 0.000 2.402 440 N HA 0.092 4.824 4.740 -0.014 0.000 0.252 440 N C 0.813 176.217 175.510 -0.178 0.000 1.118 440 N CA -0.319 52.604 53.050 -0.213 0.000 0.945 440 N CB 0.933 39.158 38.487 -0.436 0.000 1.147 440 N HN 0.371 nan 8.380 nan 0.000 0.495 441 M N 2.399 121.895 119.600 -0.174 0.000 2.229 441 M HA -0.060 4.412 4.480 -0.014 0.000 0.264 441 M C 1.929 178.081 176.300 -0.247 0.000 1.063 441 M CA 0.718 55.935 55.300 -0.138 0.000 1.114 441 M CB -1.559 31.006 32.600 -0.058 0.000 1.387 441 M HN 0.607 nan 8.290 nan 0.000 0.420 442 A N -0.457 122.208 122.820 -0.258 0.000 1.902 442 A HA -0.180 4.132 4.320 -0.014 0.000 0.217 442 A C 1.995 179.334 177.584 -0.408 0.000 1.181 442 A CA 1.549 53.391 52.037 -0.325 0.000 0.623 442 A CB -1.133 17.876 19.000 0.015 0.000 0.818 442 A HN 0.602 nan 8.150 nan 0.000 0.443 443 H N -1.114 117.734 119.070 -0.370 0.000 2.389 443 H HA -0.015 4.533 4.556 -0.014 0.000 0.299 443 H C 2.136 177.232 175.328 -0.386 0.000 1.081 443 H CA 0.878 56.669 56.048 -0.428 0.000 1.345 443 H CB -0.056 29.672 29.762 -0.056 0.000 1.393 443 H HN 0.374 nan 8.280 nan 0.000 0.520 444 L N 0.457 121.593 121.223 -0.145 0.000 2.012 444 L HA -0.247 4.085 4.340 -0.014 0.000 0.210 444 L C 2.257 178.984 176.870 -0.238 0.000 1.073 444 L CA 1.441 56.193 54.840 -0.147 0.000 0.748 444 L CB -0.448 41.553 42.059 -0.097 0.000 0.891 444 L HN 0.450 nan 8.230 nan 0.000 0.431 445 C N 0.030 119.083 119.300 -0.411 0.000 2.429 445 C HA -0.179 4.273 4.460 -0.014 0.000 0.277 445 C C 2.664 177.384 174.990 -0.451 0.000 1.262 445 C CA 0.675 59.364 59.018 -0.548 0.000 1.733 445 C CB -0.794 26.221 27.740 -1.208 0.000 2.010 445 C HN 0.524 nan 8.230 nan 0.000 0.483 446 I N 1.399 121.657 120.570 -0.520 0.000 2.179 446 I HA -0.193 3.969 4.170 -0.014 0.000 0.242 446 I C 2.765 178.744 176.117 -0.230 0.000 1.088 446 I CA 1.624 62.679 61.300 -0.408 0.000 1.357 446 I CB -0.599 37.023 38.000 -0.629 0.000 1.051 446 I HN 0.261 nan 8.210 nan 0.000 0.409 447 A N 0.655 123.312 122.820 -0.273 0.000 1.908 447 A HA -0.136 4.176 4.320 -0.014 0.000 0.218 447 A C 2.240 179.891 177.584 0.112 0.000 1.181 447 A CA 2.003 53.938 52.037 -0.169 0.000 0.627 447 A CB -1.262 17.451 19.000 -0.478 0.000 0.818 447 A HN 0.487 nan 8.150 nan 0.000 0.445 448 G N -1.302 107.493 108.800 -0.008 0.000 3.284 448 G HA2 0.407 4.359 3.960 -0.014 0.000 0.236 448 G HA3 0.407 4.359 3.960 -0.014 0.000 0.236 448 G C 0.147 174.881 174.900 -0.276 0.000 1.158 448 G CA 0.525 45.494 45.100 -0.219 0.000 0.774 448 G HN 0.359 nan 8.290 nan 0.000 0.545 449 S N -0.354 115.243 115.700 -0.172 0.000 2.536 449 S HA 0.322 4.784 4.470 -0.014 0.000 0.298 449 S C 0.825 175.374 174.600 -0.085 0.000 1.083 449 S CA -0.701 57.423 58.200 -0.127 0.000 0.995 449 S CB 1.306 64.434 63.200 -0.120 0.000 1.058 449 S HN 0.502 nan 8.310 nan 0.000 0.488 450 H N 0.118 119.153 119.070 -0.058 0.000 2.535 450 H HA 0.439 4.986 4.556 -0.014 0.000 0.273 450 H C 0.212 175.531 175.328 -0.016 0.000 0.983 450 H CA 0.420 56.462 56.048 -0.010 0.000 1.238 450 H CB 0.135 29.905 29.762 0.013 0.000 1.412 450 H HN 0.507 nan 8.280 nan 0.000 0.562 451 A N 0.999 123.507 122.820 -0.519 0.000 2.486 451 A HA 0.572 4.884 4.320 -0.014 0.000 0.300 451 A C -1.381 176.002 177.584 -0.335 0.000 1.048 451 A CA -0.584 51.214 52.037 -0.399 0.000 0.696 451 A CB 2.366 21.109 19.000 -0.429 0.000 1.278 451 A HN 0.097 nan 8.150 nan 0.000 0.405 452 V N 4.020 123.704 119.914 -0.383 0.000 2.525 452 V HA 0.507 4.619 4.120 -0.014 0.000 0.299 452 V C -0.850 175.054 176.094 -0.316 0.000 1.034 452 V CA -0.789 61.277 62.300 -0.391 0.000 0.863 452 V CB 1.802 33.240 31.823 -0.641 0.000 0.999 452 V HN 1.015 nan 8.190 nan 0.000 0.423 453 N N 3.233 121.766 118.700 -0.279 0.000 2.240 453 N HA 0.617 5.349 4.740 -0.014 0.000 0.302 453 N C -0.227 175.176 175.510 -0.180 0.000 1.106 453 N CA -0.366 52.563 53.050 -0.202 0.000 0.778 453 N CB 2.892 41.237 38.487 -0.238 0.000 1.431 453 N HN 0.627 nan 8.380 nan 0.000 0.479 454 G N -0.728 108.003 108.800 -0.116 0.000 2.535 454 G HA2 0.424 4.376 3.960 -0.014 0.000 0.303 454 G HA3 0.424 4.376 3.960 -0.014 0.000 0.303 454 G C 0.709 175.669 174.900 0.101 0.000 1.237 454 G CA -0.454 44.630 45.100 -0.027 0.000 0.986 454 G HN 0.654 nan 8.290 nan 0.000 0.494 455 V N -3.928 116.172 119.914 0.310 0.000 3.380 455 V HA 0.707 4.819 4.120 -0.014 0.000 0.307 455 V C 0.493 176.671 176.094 0.140 0.000 1.434 455 V CA 0.369 62.757 62.300 0.147 0.000 1.075 455 V CB -0.684 31.172 31.823 0.056 0.000 0.954 455 V HN 1.381 nan 8.190 nan 0.000 0.444 456 A N -0.069 122.844 122.820 0.156 0.000 2.599 456 A HA 0.662 4.974 4.320 -0.014 0.000 0.294 456 A C 0.576 178.213 177.584 0.089 0.000 1.055 456 A CA -0.108 51.998 52.037 0.116 0.000 0.683 456 A CB 1.198 20.258 19.000 0.099 0.000 1.278 456 A HN 0.057 nan 8.150 nan 0.000 0.412 457 R N 0.790 121.321 120.500 0.052 0.000 2.096 457 R HA -0.149 4.183 4.340 -0.014 0.000 0.240 457 R C 1.687 177.989 176.300 0.002 0.000 1.139 457 R CA 2.312 58.419 56.100 0.013 0.000 0.952 457 R CB -0.241 30.060 30.300 0.002 0.000 0.854 457 R HN 0.799 nan 8.270 nan 0.000 0.436 458 I N 0.149 120.729 120.570 0.018 0.000 2.394 458 I HA -0.277 3.885 4.170 -0.014 0.000 0.251 458 I C 2.227 178.358 176.117 0.023 0.000 1.136 458 I CA 1.643 62.946 61.300 0.005 0.000 1.425 458 I CB -0.181 37.820 38.000 0.001 0.000 1.079 458 I HN 0.352 nan 8.210 nan 0.000 0.425 459 H N 0.366 119.412 119.070 -0.041 0.000 2.299 459 H HA -0.126 4.422 4.556 -0.014 0.000 0.302 459 H C 2.288 177.588 175.328 -0.046 0.000 1.078 459 H CA 2.236 58.257 56.048 -0.046 0.000 1.323 459 H CB -0.310 29.431 29.762 -0.036 0.000 1.381 459 H HN 0.227 nan 8.280 nan 0.000 0.498 460 S N 0.455 116.039 115.700 -0.193 0.000 2.382 460 S HA -0.132 4.330 4.470 -0.014 0.000 0.228 460 S C 1.916 176.402 174.600 -0.191 0.000 1.027 460 S CA 1.223 59.290 58.200 -0.221 0.000 0.991 460 S CB -0.087 63.051 63.200 -0.103 0.000 0.823 460 S HN 0.479 nan 8.310 nan 0.000 0.469 461 E N 1.197 121.307 120.200 -0.150 0.000 2.077 461 E HA -0.030 4.312 4.350 -0.014 0.000 0.193 461 E C 2.027 178.518 176.600 -0.182 0.000 0.989 461 E CA 0.720 57.021 56.400 -0.165 0.000 0.800 461 E CB -0.415 29.218 29.700 -0.111 0.000 0.746 461 E HN 0.509 nan 8.360 nan 0.000 0.452 462 I N 0.986 121.465 120.570 -0.151 0.000 2.286 462 I HA -0.275 3.887 4.170 -0.014 0.000 0.248 462 I C 2.400 178.400 176.117 -0.195 0.000 1.115 462 I CA 0.751 61.966 61.300 -0.143 0.000 1.392 462 I CB -0.218 37.731 38.000 -0.085 0.000 1.065 462 I HN 0.060 nan 8.210 nan 0.000 0.418 463 L N 0.358 121.434 121.223 -0.245 0.000 2.042 463 L HA -0.245 4.087 4.340 -0.014 0.000 0.210 463 L C 2.462 179.228 176.870 -0.174 0.000 1.076 463 L CA 1.636 56.356 54.840 -0.200 0.000 0.749 463 L CB -0.602 41.421 42.059 -0.060 0.000 0.893 463 L HN 0.220 nan 8.230 nan 0.000 0.432 464 K N -0.262 119.952 120.400 -0.311 0.000 2.217 464 K HA -0.110 4.202 4.320 -0.014 0.000 0.202 464 K C 2.041 178.430 176.600 -0.352 0.000 1.051 464 K CA 0.840 56.788 56.287 -0.565 0.000 0.952 464 K CB 0.087 31.986 32.500 -1.000 0.000 0.736 464 K HN 0.236 nan 8.250 nan 0.000 0.453 465 K N -0.079 120.179 120.400 -0.238 0.000 2.284 465 K HA -0.021 4.291 4.320 -0.014 0.000 0.198 465 K C 1.830 178.373 176.600 -0.095 0.000 1.048 465 K CA 1.314 57.514 56.287 -0.144 0.000 0.987 465 K CB 0.537 32.961 32.500 -0.126 0.000 0.800 465 K HN 0.244 nan 8.250 nan 0.000 0.486 466 T N -1.556 112.931 114.554 -0.111 0.000 3.409 466 T HA 0.058 4.400 4.350 -0.014 0.000 0.188 466 T C 1.876 176.521 174.700 -0.092 0.000 0.929 466 T CA 0.039 62.085 62.100 -0.090 0.000 1.184 466 T CB -0.751 68.060 68.868 -0.096 0.000 1.570 466 T HN 0.112 nan 8.240 nan 0.000 0.367 467 I N -0.972 119.476 120.570 -0.202 0.000 2.493 467 I HA 0.255 4.416 4.170 -0.014 0.000 0.254 467 I C 1.346 177.373 176.117 -0.150 0.000 1.160 467 I CA 1.266 62.401 61.300 -0.274 0.000 1.445 467 I CB -0.561 37.138 38.000 -0.502 0.000 1.086 467 I HN 0.244 nan 8.210 nan 0.000 0.433 468 F N 0.872 120.899 119.950 0.128 0.000 2.735 468 F HA 0.344 4.863 4.527 -0.014 0.000 0.304 468 F C 1.994 177.894 175.800 0.167 0.000 1.119 468 F CA -0.634 57.518 58.000 0.254 0.000 1.280 468 F CB 0.135 39.290 39.000 0.257 0.000 0.994 468 F HN -0.094 nan 8.300 nan 0.000 0.520 469 K N 1.119 121.631 120.400 0.186 0.000 2.059 469 K HA -0.232 4.080 4.320 -0.014 0.000 0.212 469 K C 1.363 178.020 176.600 0.094 0.000 1.050 469 K CA 2.298 58.637 56.287 0.087 0.000 0.927 469 K CB -0.043 32.473 32.500 0.026 0.000 0.714 469 K HN 0.152 nan 8.250 nan 0.000 0.447 470 D N -0.183 120.248 120.400 0.051 0.000 2.123 470 D HA -0.171 4.461 4.640 -0.014 0.000 0.196 470 D C 1.816 178.023 176.300 -0.154 0.000 0.992 470 D CA 1.298 55.197 54.000 -0.168 0.000 0.833 470 D CB -0.296 40.309 40.800 -0.325 0.000 0.954 470 D HN 0.260 nan 8.370 nan 0.000 0.455 471 F N -0.257 119.773 119.950 0.133 0.000 2.163 471 F HA -0.129 4.390 4.527 -0.014 0.000 0.297 471 F C 2.354 178.301 175.800 0.246 0.000 1.094 471 F CA 0.476 58.636 58.000 0.265 0.000 1.290 471 F CB -0.707 38.529 39.000 0.394 0.000 1.017 471 F HN -0.047 nan 8.300 nan 0.000 0.483 472 Y N 1.416 121.678 120.300 -0.064 0.000 2.165 472 Y HA -0.227 4.315 4.550 -0.013 0.000 0.286 472 Y C 2.162 178.042 175.900 -0.033 0.000 1.155 472 Y CA 1.726 59.596 58.100 -0.383 0.000 1.164 472 Y CB -0.631 37.425 38.460 -0.672 0.000 0.978 472 Y HN 0.136 nan 8.280 nan 0.000 0.513 473 E N -0.369 119.787 120.200 -0.074 0.000 2.077 473 E HA -0.216 4.126 4.350 -0.014 0.000 0.193 473 E C 2.047 178.710 176.600 0.104 0.000 0.989 473 E CA 1.275 57.649 56.400 -0.043 0.000 0.800 473 E CB -0.327 29.392 29.700 0.032 0.000 0.746 473 E HN 0.435 nan 8.360 nan 0.000 0.452 474 L N 1.009 122.334 121.223 0.170 0.000 2.027 474 L HA -0.096 4.236 4.340 -0.014 0.000 0.206 474 L C 0.261 177.219 176.870 0.147 0.000 1.074 474 L CA 1.735 56.710 54.840 0.224 0.000 0.745 474 L CB 0.288 42.470 42.059 0.204 0.000 0.898 474 L HN -0.068 nan 8.230 nan 0.000 0.433 475 E N -0.367 119.916 120.200 0.139 0.000 3.386 475 E HA 0.178 4.520 4.350 -0.014 0.000 0.236 475 E C -2.008 174.537 176.600 -0.091 0.000 1.227 475 E CA -1.255 55.146 56.400 0.002 0.000 0.970 475 E CB 0.811 30.513 29.700 0.002 0.000 1.343 475 E HN 0.204 nan 8.360 nan 0.000 0.397 476 P HA -0.241 nan 4.420 nan 0.000 0.218 476 P C 1.258 178.644 177.300 0.144 0.000 1.149 476 P CA 1.375 64.367 63.100 -0.180 0.000 0.817 476 P CB -0.062 31.413 31.700 -0.374 0.000 0.785 477 H N 0.357 119.527 119.070 0.167 0.000 2.489 477 H HA 0.031 4.579 4.556 -0.014 0.000 0.293 477 H C 1.457 176.877 175.328 0.153 0.000 1.066 477 H CA 0.882 57.020 56.048 0.149 0.000 1.305 477 H CB -0.735 29.085 29.762 0.098 0.000 1.386 477 H HN 0.155 nan 8.280 nan 0.000 0.551 478 K N 0.240 120.509 120.400 -0.218 0.000 2.288 478 K HA 0.022 4.334 4.320 -0.014 0.000 0.201 478 K C -0.188 176.273 176.600 -0.231 0.000 1.048 478 K CA 0.328 56.491 56.287 -0.207 0.000 0.956 478 K CB 0.081 32.339 32.500 -0.402 0.000 0.746 478 K HN 0.120 nan 8.250 nan 0.000 0.461 479 F N 1.530 121.507 119.950 0.044 0.000 2.411 479 F HA 0.210 4.729 4.527 -0.014 0.000 0.350 479 F C 0.419 176.225 175.800 0.009 0.000 1.114 479 F CA -0.360 57.672 58.000 0.052 0.000 1.135 479 F CB 1.114 40.208 39.000 0.156 0.000 1.120 479 F HN -0.136 nan 8.300 nan 0.000 0.495 480 Q N 1.827 121.660 119.800 0.054 0.000 2.528 480 Q HA 0.346 4.678 4.340 -0.014 0.000 0.289 480 Q C -1.191 174.770 176.000 -0.065 0.000 1.091 480 Q CA -1.242 54.545 55.803 -0.027 0.000 0.797 480 Q CB 3.203 31.870 28.738 -0.119 0.000 1.466 480 Q HN 0.610 nan 8.270 nan 0.000 0.436 481 N N 0.787 119.432 118.700 -0.091 0.000 2.314 481 N HA 0.275 5.007 4.740 -0.014 0.000 0.304 481 N C -1.419 173.992 175.510 -0.165 0.000 1.073 481 N CA -0.380 52.611 53.050 -0.099 0.000 0.822 481 N CB 0.979 39.431 38.487 -0.059 0.000 1.280 481 N HN 0.284 nan 8.380 nan 0.000 0.489 482 K N 2.737 123.041 120.400 -0.160 0.000 2.723 482 K HA 0.178 4.490 4.320 -0.014 0.000 0.229 482 K C -0.948 175.661 176.600 0.015 0.000 1.022 482 K CA -0.494 55.677 56.287 -0.194 0.000 1.045 482 K CB 1.225 33.376 32.500 -0.583 0.000 1.227 482 K HN 0.534 nan 8.250 nan 0.000 0.516 483 T N 2.146 116.726 114.554 0.042 0.000 2.908 483 T HA 0.036 4.378 4.350 -0.014 0.000 0.301 483 T C 0.784 175.613 174.700 0.215 0.000 1.019 483 T CA 0.403 62.578 62.100 0.126 0.000 1.152 483 T CB 0.211 69.150 68.868 0.120 0.000 0.966 483 T HN 0.362 nan 8.240 nan 0.000 0.540 484 N N 0.692 119.543 118.700 0.251 0.000 2.307 484 N HA 0.374 5.106 4.740 -0.014 0.000 0.230 484 N C 0.491 176.193 175.510 0.320 0.000 1.297 484 N CA -0.080 53.153 53.050 0.304 0.000 0.884 484 N CB 0.369 38.971 38.487 0.192 0.000 1.115 484 N HN 0.762 nan 8.380 nan 0.000 0.436 485 G N -0.623 108.377 108.800 0.333 0.000 2.687 485 G HA2 0.597 4.549 3.960 -0.014 0.000 0.291 485 G HA3 0.597 4.549 3.960 -0.014 0.000 0.291 485 G C -1.370 173.666 174.900 0.227 0.000 1.420 485 G CA -0.750 44.528 45.100 0.297 0.000 0.796 485 G HN 0.599 nan 8.290 nan 0.000 0.485 486 I N -2.296 118.391 120.570 0.195 0.000 2.785 486 I HA 0.758 4.920 4.170 -0.014 0.000 0.302 486 I C -0.197 176.078 176.117 0.262 0.000 1.069 486 I CA -0.930 60.477 61.300 0.179 0.000 1.045 486 I CB 2.461 40.457 38.000 -0.006 0.000 1.236 486 I HN 0.495 nan 8.210 nan 0.000 0.429 487 T N 4.199 118.961 114.554 0.347 0.000 2.794 487 T HA 0.363 4.705 4.350 -0.014 0.000 0.296 487 T C -1.469 173.351 174.700 0.200 0.000 0.949 487 T CA -1.600 60.632 62.100 0.219 0.000 1.101 487 T CB 0.757 69.700 68.868 0.126 0.000 0.905 487 T HN 0.641 nan 8.240 nan 0.000 0.516 488 P HA 0.092 nan 4.420 nan 0.000 0.245 488 P C 1.008 178.271 177.300 -0.061 0.000 1.212 488 P CA 0.175 63.312 63.100 0.062 0.000 0.774 488 P CB 0.371 32.094 31.700 0.038 0.000 0.999 489 R N 0.577 120.997 120.500 -0.133 0.000 2.060 489 R HA 0.017 4.349 4.340 -0.014 0.000 0.225 489 R C 2.670 178.845 176.300 -0.208 0.000 1.155 489 R CA 1.526 57.506 56.100 -0.201 0.000 0.930 489 R CB -1.266 28.922 30.300 -0.188 0.000 0.829 489 R HN 0.018 nan 8.270 nan 0.000 0.433 490 R N -0.731 119.586 120.500 -0.305 0.000 2.091 490 R HA -0.147 4.185 4.340 -0.014 0.000 0.238 490 R C 1.064 176.995 176.300 -0.615 0.000 1.136 490 R CA 1.848 57.598 56.100 -0.584 0.000 0.959 490 R CB -0.187 29.555 30.300 -0.931 0.000 0.856 490 R HN 0.315 nan 8.270 nan 0.000 0.437 491 W N -0.582 120.672 121.300 -0.077 0.000 3.353 491 W HA 0.176 4.828 4.660 -0.014 0.000 0.304 491 W C 0.931 177.416 176.519 -0.057 0.000 1.273 491 W CA -0.728 56.570 57.345 -0.078 0.000 1.773 491 W CB 0.447 29.864 29.460 -0.071 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.185 119.087 121.223 0.083 0.000 2.681 492 L HA 0.193 4.525 4.340 -0.014 0.000 0.163 492 L C 1.782 178.662 176.870 0.016 0.000 1.188 492 L CA 0.775 55.659 54.840 0.073 0.000 0.944 492 L CB -0.835 41.295 42.059 0.119 0.000 1.835 492 L HN -0.249 nan 8.230 nan 0.000 0.510 493 V N 1.101 121.000 119.914 -0.025 0.000 2.287 493 V HA -0.278 3.834 4.120 -0.014 0.000 0.248 493 V C 2.444 178.505 176.094 -0.056 0.000 1.053 493 V CA 2.495 64.771 62.300 -0.040 0.000 1.027 493 V CB -0.690 31.078 31.823 -0.091 0.000 0.646 493 V HN 0.510 nan 8.190 nan 0.000 0.447 494 L N 0.457 121.616 121.223 -0.106 0.000 2.023 494 L HA -0.181 4.151 4.340 -0.014 0.000 0.205 494 L C 2.494 179.293 176.870 -0.118 0.000 1.073 494 L CA 2.389 57.150 54.840 -0.131 0.000 0.745 494 L CB -0.263 41.667 42.059 -0.216 0.000 0.900 494 L HN 0.654 nan 8.230 nan 0.000 0.435 495 C N -1.819 117.404 119.300 -0.128 0.000 2.563 495 C HA 0.201 4.653 4.460 -0.014 0.000 0.268 495 C C 1.214 176.181 174.990 -0.039 0.000 1.365 495 C CA -0.270 58.691 59.018 -0.096 0.000 1.754 495 C CB -0.998 26.684 27.740 -0.098 0.000 1.932 495 C HN 0.594 nan 8.230 nan 0.000 0.536 496 N N 1.179 119.868 118.700 -0.018 0.000 2.703 496 N HA 0.284 5.016 4.740 -0.014 0.000 0.283 496 N C -1.760 173.758 175.510 0.014 0.000 1.851 496 N CA -1.623 51.430 53.050 0.005 0.000 0.826 496 N CB 0.737 39.236 38.487 0.020 0.000 1.239 496 N HN 0.238 nan 8.380 nan 0.000 0.495 497 P HA -0.053 nan 4.420 nan 0.000 0.217 497 P C 1.430 178.745 177.300 0.025 0.000 1.150 497 P CA 0.980 64.089 63.100 0.014 0.000 0.832 497 P CB 0.193 31.894 31.700 0.002 0.000 0.787 498 G N 0.620 109.430 108.800 0.016 0.000 2.440 498 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.218 498 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.218 498 G C 1.541 176.451 174.900 0.017 0.000 1.154 498 G CA 0.795 45.903 45.100 0.013 0.000 0.767 498 G HN 0.257 nan 8.290 nan 0.000 0.552 499 L N 1.248 122.483 121.223 0.020 0.000 2.056 499 L HA 0.255 4.587 4.340 -0.014 0.000 0.207 499 L C 3.084 179.990 176.870 0.060 0.000 1.078 499 L CA 2.025 56.878 54.840 0.023 0.000 0.749 499 L CB -0.766 41.305 42.059 0.020 0.000 0.901 499 L HN 0.232 nan 8.230 nan 0.000 0.433 500 A N -0.769 122.106 122.820 0.092 0.000 1.940 500 A HA -0.268 4.043 4.320 -0.014 0.000 0.219 500 A C 2.248 179.935 177.584 0.171 0.000 1.176 500 A CA 1.904 54.048 52.037 0.178 0.000 0.631 500 A CB -0.674 18.415 19.000 0.148 0.000 0.814 500 A HN 0.550 nan 8.150 nan 0.000 0.446 501 E N 0.531 120.790 120.200 0.099 0.000 2.028 501 E HA -0.145 4.196 4.350 -0.014 0.000 0.191 501 E C 1.844 178.486 176.600 0.070 0.000 0.988 501 E CA 1.515 57.962 56.400 0.079 0.000 0.799 501 E CB -0.513 29.215 29.700 0.046 0.000 0.755 501 E HN 0.737 nan 8.360 nan 0.000 0.447 502 I N -1.583 119.025 120.570 0.063 0.000 2.454 502 I HA -0.153 4.009 4.170 -0.014 0.000 0.254 502 I C 2.109 178.301 176.117 0.125 0.000 1.156 502 I CA 1.149 62.502 61.300 0.088 0.000 1.433 502 I CB -0.341 37.701 38.000 0.069 0.000 1.082 502 I HN 0.028 nan 8.210 nan 0.000 0.432 503 I N 1.900 122.518 120.570 0.080 0.000 2.202 503 I HA -0.186 3.976 4.170 -0.014 0.000 0.242 503 I C 2.996 179.055 176.117 -0.097 0.000 1.091 503 I CA 1.343 62.603 61.300 -0.067 0.000 1.368 503 I CB -0.526 37.316 38.000 -0.263 0.000 1.058 503 I HN 0.304 nan 8.210 nan 0.000 0.410 504 A N 0.328 123.193 122.820 0.075 0.000 1.972 504 A HA -0.222 4.090 4.320 -0.014 0.000 0.219 504 A C 2.161 179.775 177.584 0.048 0.000 1.169 504 A CA 1.555 53.687 52.037 0.159 0.000 0.635 504 A CB -0.592 18.538 19.000 0.216 0.000 0.810 504 A HN 0.437 nan 8.150 nan 0.000 0.446 505 E N -0.810 119.400 120.200 0.016 0.000 2.160 505 E HA -0.219 4.123 4.350 -0.014 0.000 0.195 505 E C 2.259 178.824 176.600 -0.059 0.000 0.991 505 E CA 1.401 57.796 56.400 -0.008 0.000 0.810 505 E CB -0.060 29.641 29.700 0.002 0.000 0.742 505 E HN 0.578 nan 8.360 nan 0.000 0.466 506 R N -0.165 120.241 120.500 -0.157 0.000 2.105 506 R HA 0.128 4.460 4.340 -0.014 0.000 0.214 506 R C 2.170 178.379 176.300 -0.152 0.000 1.091 506 R CA 0.832 56.769 56.100 -0.272 0.000 1.007 506 R CB 0.197 30.028 30.300 -0.782 0.000 0.912 506 R HN 0.225 nan 8.270 nan 0.000 0.450 507 I N -3.092 117.399 120.570 -0.131 0.000 4.081 507 I HA 0.481 4.643 4.170 -0.014 0.000 0.333 507 I C 0.414 176.564 176.117 0.055 0.000 1.413 507 I CA -0.096 61.182 61.300 -0.036 0.000 1.110 507 I CB 0.762 38.718 38.000 -0.074 0.000 1.082 507 I HN 0.180 nan 8.210 nan 0.000 0.402 508 G N 2.027 110.870 108.800 0.073 0.000 2.725 508 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.220 508 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.220 508 G C -0.011 175.018 174.900 0.214 0.000 1.357 508 G CA 0.243 45.410 45.100 0.111 0.000 0.866 508 G HN 0.453 nan 8.290 nan 0.000 0.548 509 E N -0.375 119.904 120.200 0.131 0.000 2.476 509 E HA 0.080 4.422 4.350 -0.014 0.000 0.199 509 E C 1.968 178.524 176.600 -0.073 0.000 1.021 509 E CA 0.018 56.442 56.400 0.039 0.000 0.907 509 E CB 0.184 29.898 29.700 0.024 0.000 0.974 509 E HN 0.502 nan 8.360 nan 0.000 0.489 510 E N 0.424 120.648 120.200 0.041 0.000 2.209 510 E HA -0.196 4.146 4.350 -0.014 0.000 0.196 510 E C 1.791 178.387 176.600 -0.006 0.000 0.993 510 E CA 0.951 57.367 56.400 0.026 0.000 0.819 510 E CB -0.073 29.665 29.700 0.063 0.000 0.745 510 E HN 0.517 nan 8.360 nan 0.000 0.477 511 Y N -0.637 119.665 120.300 0.004 0.000 2.333 511 Y HA -0.084 4.459 4.550 -0.012 0.000 0.290 511 Y C 1.976 177.850 175.900 -0.042 0.000 1.144 511 Y CA 0.628 58.722 58.100 -0.011 0.000 1.228 511 Y CB -0.816 37.640 38.460 -0.007 0.000 0.985 511 Y HN -0.095 nan 8.280 nan 0.000 0.542 512 I N 0.986 121.067 120.570 -0.814 0.000 2.335 512 I HA -0.254 3.908 4.170 -0.014 0.000 0.251 512 I C 1.679 177.530 176.117 -0.443 0.000 1.129 512 I CA 1.884 62.749 61.300 -0.725 0.000 1.402 512 I CB -0.384 37.094 38.000 -0.871 0.000 1.069 512 I HN 0.484 nan 8.210 nan 0.000 0.424 513 S N -2.116 113.435 115.700 -0.249 0.000 2.663 513 S HA 0.192 4.654 4.470 -0.014 0.000 0.243 513 S C 0.119 174.702 174.600 -0.028 0.000 1.009 513 S CA -0.503 57.633 58.200 -0.107 0.000 0.988 513 S CB 0.327 63.534 63.200 0.012 0.000 0.896 513 S HN 0.277 nan 8.310 nan 0.000 0.502 514 D N 0.751 121.143 120.400 -0.014 0.000 2.823 514 D HA 0.235 4.867 4.640 -0.014 0.000 0.255 514 D C 0.295 176.637 176.300 0.069 0.000 1.257 514 D CA -0.382 53.635 54.000 0.028 0.000 0.803 514 D CB 0.486 41.307 40.800 0.036 0.000 1.384 514 D HN 0.104 nan 8.370 nan 0.000 0.541 515 L N 1.339 122.604 121.223 0.069 0.000 2.362 515 L HA 0.018 4.350 4.340 -0.014 0.000 0.219 515 L C 1.437 178.362 176.870 0.091 0.000 1.134 515 L CA 1.484 56.396 54.840 0.119 0.000 0.807 515 L CB -0.070 42.053 42.059 0.106 0.000 0.927 515 L HN 0.264 nan 8.230 nan 0.000 0.447 516 D N -0.663 119.767 120.400 0.050 0.000 2.221 516 D HA -0.225 4.407 4.640 -0.014 0.000 0.204 516 D C 1.931 178.253 176.300 0.037 0.000 0.982 516 D CA 0.878 54.893 54.000 0.026 0.000 0.857 516 D CB 0.058 40.860 40.800 0.004 0.000 0.934 516 D HN 0.547 nan 8.370 nan 0.000 0.475 517 Q N -0.025 119.814 119.800 0.064 0.000 2.291 517 Q HA -0.071 4.261 4.340 -0.014 0.000 0.206 517 Q C 2.331 178.348 176.000 0.029 0.000 0.976 517 Q CA 0.290 56.130 55.803 0.063 0.000 0.875 517 Q CB -0.015 28.789 28.738 0.111 0.000 0.927 517 Q HN 0.399 nan 8.270 nan 0.000 0.450 518 L N 0.124 121.359 121.223 0.020 0.000 2.261 518 L HA -0.211 4.120 4.340 -0.014 0.000 0.216 518 L C 2.463 179.325 176.870 -0.014 0.000 1.114 518 L CA 0.890 55.704 54.840 -0.043 0.000 0.777 518 L CB -0.382 41.666 42.059 -0.017 0.000 0.910 518 L HN 0.217 nan 8.230 nan 0.000 0.440 519 R N 0.726 121.231 120.500 0.008 0.000 2.139 519 R HA -0.202 4.130 4.340 -0.014 0.000 0.243 519 R C 2.165 178.471 176.300 0.011 0.000 1.145 519 R CA 1.351 57.458 56.100 0.012 0.000 0.976 519 R CB -0.016 30.289 30.300 0.008 0.000 0.866 519 R HN 0.295 nan 8.270 nan 0.000 0.449 520 K N 0.186 120.591 120.400 0.009 0.000 2.286 520 K HA -0.156 4.155 4.320 -0.014 0.000 0.203 520 K C 1.793 178.432 176.600 0.066 0.000 1.045 520 K CA 1.091 57.393 56.287 0.024 0.000 0.935 520 K CB -0.106 32.411 32.500 0.029 0.000 0.737 520 K HN 0.291 nan 8.250 nan 0.000 0.460 521 L N 0.461 121.701 121.223 0.029 0.000 2.362 521 L HA -0.151 4.181 4.340 -0.014 0.000 0.219 521 L C 1.825 178.763 176.870 0.113 0.000 1.134 521 L CA 0.122 54.990 54.840 0.048 0.000 0.807 521 L CB -0.305 41.743 42.059 -0.017 0.000 0.927 521 L HN 0.127 nan 8.230 nan 0.000 0.447 522 L N -0.408 120.852 121.223 0.063 0.000 2.187 522 L HA -0.173 4.159 4.340 -0.014 0.000 0.213 522 L C 2.439 179.308 176.870 -0.001 0.000 1.100 522 L CA 1.437 56.301 54.840 0.041 0.000 0.765 522 L CB -1.016 41.053 42.059 0.016 0.000 0.904 522 L HN 0.144 nan 8.230 nan 0.000 0.437 523 S N -1.954 113.709 115.700 -0.061 0.000 2.603 523 S HA -0.039 4.423 4.470 -0.014 0.000 0.229 523 S C 0.961 175.306 174.600 -0.424 0.000 0.972 523 S CA 0.342 58.393 58.200 -0.247 0.000 0.935 523 S CB -0.215 62.772 63.200 -0.353 0.000 0.769 523 S HN 0.455 nan 8.310 nan 0.000 0.536 524 Y N -1.188 119.056 120.300 -0.093 0.000 2.557 524 Y HA 0.340 4.888 4.550 -0.003 0.000 0.247 524 Y C 1.666 177.617 175.900 0.084 0.000 1.164 524 Y CA -0.420 57.631 58.100 -0.081 0.000 1.218 524 Y CB 0.092 38.316 38.460 -0.392 0.000 1.210 524 Y HN 0.091 nan 8.280 nan 0.000 0.529 525 V N 0.488 120.502 119.914 0.165 0.000 2.720 525 V HA -0.216 3.896 4.120 -0.014 0.000 0.256 525 V C 0.966 177.130 176.094 0.117 0.000 1.082 525 V CA 2.272 64.664 62.300 0.153 0.000 1.101 525 V CB -0.012 31.863 31.823 0.086 0.000 0.693 525 V HN 0.358 nan 8.190 nan 0.000 0.479 526 D N -0.814 119.635 120.400 0.081 0.000 2.395 526 D HA 0.102 4.734 4.640 -0.014 0.000 0.213 526 D C 0.409 176.755 176.300 0.078 0.000 1.110 526 D CA -0.008 54.027 54.000 0.060 0.000 0.835 526 D CB 0.120 40.932 40.800 0.021 0.000 0.965 526 D HN 0.441 nan 8.370 nan 0.000 0.505 527 D N 1.524 122.006 120.400 0.136 0.000 2.336 527 D HA -0.019 4.613 4.640 -0.014 0.000 0.249 527 D C 1.097 177.505 176.300 0.180 0.000 1.213 527 D CA -0.003 54.100 54.000 0.171 0.000 0.870 527 D CB 1.627 42.602 40.800 0.292 0.000 1.076 527 D HN -0.185 nan 8.370 nan 0.000 0.483 528 E N 3.153 123.422 120.200 0.116 0.000 2.153 528 E HA -0.134 4.208 4.350 -0.014 0.000 0.194 528 E C 1.749 178.404 176.600 0.091 0.000 0.988 528 E CA 1.330 57.782 56.400 0.085 0.000 0.811 528 E CB 0.031 29.764 29.700 0.055 0.000 0.746 528 E HN 0.596 nan 8.360 nan 0.000 0.466 529 A N -0.176 122.715 122.820 0.119 0.000 1.855 529 A HA -0.151 4.161 4.320 -0.014 0.000 0.215 529 A C 2.208 179.880 177.584 0.146 0.000 1.191 529 A CA 1.355 53.460 52.037 0.113 0.000 0.613 529 A CB -1.017 18.054 19.000 0.119 0.000 0.829 529 A HN 0.445 nan 8.150 nan 0.000 0.442 530 F N 0.493 120.464 119.950 0.035 0.000 2.102 530 F HA -0.186 4.333 4.527 -0.013 0.000 0.298 530 F C 2.084 177.891 175.800 0.012 0.000 1.105 530 F CA 1.735 59.738 58.000 0.006 0.000 1.239 530 F CB -0.138 38.875 39.000 0.022 0.000 0.991 530 F HN 0.175 nan 8.300 nan 0.000 0.474 531 I N 0.252 120.838 120.570 0.026 0.000 2.151 531 I HA -0.387 3.775 4.170 -0.014 0.000 0.243 531 I C 2.618 178.675 176.117 -0.100 0.000 1.080 531 I CA 1.875 63.138 61.300 -0.061 0.000 1.339 531 I CB -0.583 37.434 38.000 0.027 0.000 1.039 531 I HN 0.133 nan 8.210 nan 0.000 0.409 532 R N 0.879 121.348 120.500 -0.050 0.000 2.081 532 R HA -0.201 4.131 4.340 -0.014 0.000 0.235 532 R C 1.848 178.096 176.300 -0.086 0.000 1.131 532 R CA 2.023 58.093 56.100 -0.050 0.000 0.960 532 R CB -0.161 30.129 30.300 -0.016 0.000 0.856 532 R HN 0.296 nan 8.270 nan 0.000 0.436 533 D N -0.202 120.127 120.400 -0.118 0.000 2.117 533 D HA -0.105 4.527 4.640 -0.014 0.000 0.198 533 D C 1.970 178.139 176.300 -0.218 0.000 0.982 533 D CA 1.155 55.071 54.000 -0.139 0.000 0.828 533 D CB -0.133 40.606 40.800 -0.101 0.000 0.967 533 D HN 0.086 nan 8.370 nan 0.000 0.464 534 V N 1.499 121.181 119.914 -0.385 0.000 2.287 534 V HA -0.255 3.857 4.120 -0.014 0.000 0.248 534 V C 2.531 178.528 176.094 -0.162 0.000 1.053 534 V CA 1.953 64.043 62.300 -0.350 0.000 1.027 534 V CB -0.841 30.690 31.823 -0.487 0.000 0.646 534 V HN 0.189 nan 8.190 nan 0.000 0.447 535 A N -0.516 122.229 122.820 -0.123 0.000 1.933 535 A HA -0.253 4.059 4.320 -0.014 0.000 0.218 535 A C 2.355 179.901 177.584 -0.063 0.000 1.175 535 A CA 2.113 54.112 52.037 -0.063 0.000 0.628 535 A CB -0.467 18.500 19.000 -0.054 0.000 0.814 535 A HN 0.539 nan 8.150 nan 0.000 0.444 536 K N -0.247 120.111 120.400 -0.070 0.000 2.025 536 K HA -0.075 4.237 4.320 -0.014 0.000 0.207 536 K C 1.820 178.392 176.600 -0.045 0.000 1.049 536 K CA 1.515 57.770 56.287 -0.053 0.000 0.933 536 K CB -0.259 32.213 32.500 -0.047 0.000 0.714 536 K HN 0.215 nan 8.250 nan 0.000 0.438 537 V N 1.809 121.690 119.914 -0.055 0.000 2.332 537 V HA -0.252 3.860 4.120 -0.014 0.000 0.248 537 V C 2.393 178.471 176.094 -0.026 0.000 1.055 537 V CA 2.006 64.283 62.300 -0.038 0.000 1.038 537 V CB -0.463 31.332 31.823 -0.047 0.000 0.651 537 V HN 0.357 nan 8.190 nan 0.000 0.450 538 K N 0.370 120.752 120.400 -0.029 0.000 2.026 538 K HA -0.227 4.084 4.320 -0.014 0.000 0.208 538 K C 2.178 178.752 176.600 -0.044 0.000 1.048 538 K CA 1.810 58.087 56.287 -0.018 0.000 0.929 538 K CB -0.556 31.950 32.500 0.010 0.000 0.713 538 K HN 0.362 nan 8.250 nan 0.000 0.439 539 Q N 1.043 120.811 119.800 -0.054 0.000 2.096 539 Q HA -0.139 4.193 4.340 -0.014 0.000 0.204 539 Q C 1.751 177.728 176.000 -0.038 0.000 0.982 539 Q CA 2.097 57.859 55.803 -0.068 0.000 0.850 539 Q CB -0.151 28.552 28.738 -0.060 0.000 0.901 539 Q HN 0.511 nan 8.270 nan 0.000 0.422 540 E N -0.521 119.669 120.200 -0.017 0.000 2.085 540 E HA -0.182 4.160 4.350 -0.014 0.000 0.194 540 E C 1.778 178.398 176.600 0.032 0.000 0.994 540 E CA 1.060 57.465 56.400 0.008 0.000 0.801 540 E CB -0.112 29.591 29.700 0.005 0.000 0.743 540 E HN 0.402 nan 8.360 nan 0.000 0.453 541 N N 0.953 119.669 118.700 0.026 0.000 2.120 541 N HA -0.142 4.590 4.740 -0.014 0.000 0.188 541 N C 1.521 177.099 175.510 0.114 0.000 1.024 541 N CA 1.094 54.178 53.050 0.058 0.000 0.852 541 N CB -0.107 38.400 38.487 0.032 0.000 1.003 541 N HN 0.141 nan 8.380 nan 0.000 0.424 542 K N 0.494 120.918 120.400 0.040 0.000 2.097 542 K HA 0.019 4.331 4.320 -0.014 0.000 0.205 542 K C 2.109 178.814 176.600 0.174 0.000 1.050 542 K CA 0.624 56.930 56.287 0.031 0.000 0.938 542 K CB -0.136 32.111 32.500 -0.422 0.000 0.718 542 K HN 0.107 nan 8.250 nan 0.000 0.442 543 L N 1.203 122.483 121.223 0.096 0.000 2.027 543 L HA -0.185 4.147 4.340 -0.014 0.000 0.206 543 L C 2.617 179.581 176.870 0.157 0.000 1.074 543 L CA 1.304 56.213 54.840 0.115 0.000 0.745 543 L CB -0.332 41.765 42.059 0.063 0.000 0.898 543 L HN 0.147 nan 8.230 nan 0.000 0.433 544 K N -0.304 120.191 120.400 0.158 0.000 2.063 544 K HA -0.245 4.067 4.320 -0.014 0.000 0.208 544 K C 2.183 178.939 176.600 0.259 0.000 1.048 544 K CA 1.687 58.079 56.287 0.174 0.000 0.928 544 K CB -0.145 32.441 32.500 0.143 0.000 0.713 544 K HN 0.103 nan 8.250 nan 0.000 0.442 545 F N 0.973 121.027 119.950 0.173 0.000 2.206 545 F HA 0.009 4.528 4.527 -0.013 0.000 0.298 545 F C 1.983 177.946 175.800 0.273 0.000 1.090 545 F CA 1.058 59.192 58.000 0.224 0.000 1.323 545 F CB -0.326 38.809 39.000 0.226 0.000 1.028 545 F HN 0.056 nan 8.300 nan 0.000 0.492 546 A N 0.107 123.085 122.820 0.265 0.000 1.972 546 A HA -0.037 4.275 4.320 -0.014 0.000 0.219 546 A C 2.351 179.969 177.584 0.057 0.000 1.169 546 A CA 1.654 53.782 52.037 0.152 0.000 0.635 546 A CB -1.360 17.798 19.000 0.263 0.000 0.810 546 A HN 0.433 nan 8.150 nan 0.000 0.446 547 A N -1.775 121.098 122.820 0.088 0.000 1.930 547 A HA 0.016 4.328 4.320 -0.014 0.000 0.215 547 A C 2.064 179.670 177.584 0.037 0.000 1.176 547 A CA 1.292 53.369 52.037 0.066 0.000 0.632 547 A CB -0.731 18.321 19.000 0.086 0.000 0.819 547 A HN 0.687 nan 8.150 nan 0.000 0.445 548 Y N 0.687 120.939 120.300 -0.080 0.000 2.165 548 Y HA -0.208 4.334 4.550 -0.013 0.000 0.286 548 Y C 1.926 177.742 175.900 -0.140 0.000 1.155 548 Y CA 1.917 59.953 58.100 -0.107 0.000 1.164 548 Y CB -0.198 38.191 38.460 -0.118 0.000 0.978 548 Y HN 0.222 nan 8.280 nan 0.000 0.513 549 L N -0.066 121.026 121.223 -0.217 0.000 2.017 549 L HA -0.215 4.117 4.340 -0.014 0.000 0.208 549 L C 2.452 179.238 176.870 -0.139 0.000 1.073 549 L CA 1.782 56.498 54.840 -0.206 0.000 0.745 549 L CB -0.584 41.317 42.059 -0.263 0.000 0.894 549 L HN 0.306 nan 8.230 nan 0.000 0.432 550 E N -0.145 119.994 120.200 -0.103 0.000 2.031 550 E HA -0.230 4.112 4.350 -0.014 0.000 0.193 550 E C 2.359 178.902 176.600 -0.094 0.000 0.994 550 E CA 1.198 57.561 56.400 -0.061 0.000 0.800 550 E CB -0.016 29.716 29.700 0.053 0.000 0.752 550 E HN 0.390 nan 8.360 nan 0.000 0.447 551 R N 0.585 121.010 120.500 -0.124 0.000 2.070 551 R HA -0.141 4.191 4.340 -0.014 0.000 0.233 551 R C 2.173 178.319 176.300 -0.256 0.000 1.137 551 R CA 1.369 57.380 56.100 -0.150 0.000 0.945 551 R CB -0.101 30.125 30.300 -0.124 0.000 0.845 551 R HN 0.002 nan 8.270 nan 0.000 0.430 552 E N -1.394 118.540 120.200 -0.442 0.000 2.371 552 E HA -0.050 4.292 4.350 -0.014 0.000 0.194 552 E C 0.131 176.211 176.600 -0.867 0.000 1.012 552 E CA 0.805 56.789 56.400 -0.692 0.000 0.860 552 E CB 0.436 29.524 29.700 -1.020 0.000 0.811 552 E HN 0.363 nan 8.360 nan 0.000 0.502 553 Y N -0.925 119.232 120.300 -0.239 0.000 2.728 553 Y HA 0.221 4.762 4.550 -0.014 0.000 0.256 553 Y C 0.006 175.806 175.900 -0.166 0.000 1.112 553 Y CA -0.604 57.395 58.100 -0.169 0.000 1.240 553 Y CB 0.861 39.226 38.460 -0.158 0.000 1.337 553 Y HN -0.255 nan 8.280 nan 0.000 0.559 554 K N 0.061 120.408 120.400 -0.087 0.000 3.020 554 K HA -0.154 4.157 4.320 -0.014 0.000 0.266 554 K C -0.284 176.078 176.600 -0.397 0.000 1.067 554 K CA 0.934 57.124 56.287 -0.161 0.000 0.780 554 K CB -2.454 30.001 32.500 -0.076 0.000 1.220 554 K HN 0.281 nan 8.250 nan 0.000 0.483 555 V N -1.774 117.937 119.914 -0.338 0.000 2.435 555 V HA 0.518 4.630 4.120 -0.014 0.000 0.290 555 V C 0.219 176.078 176.094 -0.392 0.000 1.030 555 V CA -0.854 61.213 62.300 -0.389 0.000 0.881 555 V CB 1.364 33.082 31.823 -0.175 0.000 0.983 555 V HN 0.273 nan 8.190 nan 0.000 0.445 556 H N 5.453 124.509 119.070 -0.023 0.000 2.504 556 H HA 0.785 5.333 4.556 -0.014 0.000 0.322 556 H C -0.042 175.274 175.328 -0.021 0.000 1.055 556 H CA -0.460 55.578 56.048 -0.016 0.000 1.231 556 H CB 1.606 31.363 29.762 -0.007 0.000 1.417 556 H HN 0.931 nan 8.280 nan 0.000 0.472 557 I N -0.491 120.140 120.570 0.101 0.000 2.785 557 I HA 0.457 4.619 4.170 -0.014 0.000 0.302 557 I C -0.457 175.735 176.117 0.125 0.000 1.069 557 I CA -1.370 59.972 61.300 0.070 0.000 1.045 557 I CB 2.171 40.172 38.000 0.001 0.000 1.236 557 I HN 0.354 nan 8.210 nan 0.000 0.429 558 N N 5.032 123.807 118.700 0.125 0.000 2.401 558 N HA 0.358 5.090 4.740 -0.014 0.000 0.255 558 N C -1.996 173.661 175.510 0.245 0.000 1.110 558 N CA -2.309 50.826 53.050 0.142 0.000 0.949 558 N CB 0.896 39.440 38.487 0.093 0.000 1.110 558 N HN 0.396 nan 8.380 nan 0.000 0.490 559 P HA 0.084 nan 4.420 nan 0.000 0.237 559 P C -0.198 177.103 177.300 0.002 0.000 1.178 559 P CA 0.764 63.960 63.100 0.161 0.000 0.766 559 P CB 0.218 31.982 31.700 0.107 0.000 0.876 560 N N -1.037 117.695 118.700 0.053 0.000 2.336 560 N HA -0.002 4.730 4.740 -0.014 0.000 0.189 560 N C 0.343 175.896 175.510 0.072 0.000 1.113 560 N CA -0.044 53.027 53.050 0.034 0.000 0.858 560 N CB -0.023 38.489 38.487 0.041 0.000 0.970 560 N HN 0.134 nan 8.380 nan 0.000 0.471 561 S N 0.032 115.790 115.700 0.097 0.000 2.632 561 S HA 0.212 4.674 4.470 -0.014 0.000 0.267 561 S C 0.070 174.648 174.600 -0.037 0.000 1.276 561 S CA -0.948 57.288 58.200 0.060 0.000 0.998 561 S CB 1.056 64.317 63.200 0.101 0.000 0.953 561 S HN 0.188 nan 8.310 nan 0.000 0.547 562 L N 2.003 123.017 121.223 -0.348 0.000 2.410 562 L HA 0.354 4.686 4.340 -0.014 0.000 0.273 562 L C -0.891 175.959 176.870 -0.032 0.000 1.144 562 L CA -0.489 53.960 54.840 -0.651 0.000 0.863 562 L CB -0.183 41.206 42.059 -1.116 0.000 1.140 562 L HN 0.702 nan 8.230 nan 0.000 0.463 563 F N 4.245 124.064 119.950 -0.218 0.000 2.405 563 F HA 0.108 4.627 4.527 -0.012 0.000 0.358 563 F C 0.390 176.127 175.800 -0.106 0.000 1.151 563 F CA -0.810 57.131 58.000 -0.098 0.000 1.161 563 F CB 0.585 39.578 39.000 -0.013 0.000 1.245 563 F HN 0.514 nan 8.300 nan 0.000 0.545 564 D N 4.860 125.257 120.400 -0.004 0.000 2.412 564 D HA 0.309 4.941 4.640 -0.014 0.000 0.224 564 D C -1.017 175.220 176.300 -0.105 0.000 1.093 564 D CA -0.170 53.784 54.000 -0.077 0.000 0.850 564 D CB 1.308 42.045 40.800 -0.105 0.000 1.046 564 D HN 0.106 nan 8.370 nan 0.000 0.507 565 V N 4.539 124.374 119.914 -0.133 0.000 2.487 565 V HA 0.366 4.478 4.120 -0.014 0.000 0.298 565 V C -0.165 175.773 176.094 -0.260 0.000 1.028 565 V CA -0.829 61.378 62.300 -0.156 0.000 0.860 565 V CB 1.687 33.495 31.823 -0.025 0.000 0.991 565 V HN 0.506 nan 8.190 nan 0.000 0.427 566 Q N 3.917 123.582 119.800 -0.226 0.000 2.401 566 Q HA 0.639 4.971 4.340 -0.014 0.000 0.260 566 Q C -1.300 174.530 176.000 -0.284 0.000 1.034 566 Q CA -0.458 55.197 55.803 -0.246 0.000 0.737 566 Q CB 1.866 30.490 28.738 -0.191 0.000 1.227 566 Q HN 0.800 nan 8.270 nan 0.000 0.488 567 V N 1.557 121.288 119.914 -0.306 0.000 2.487 567 V HA 0.870 4.982 4.120 -0.014 0.000 0.298 567 V C -0.962 174.864 176.094 -0.446 0.000 1.028 567 V CA -0.571 61.368 62.300 -0.601 0.000 0.860 567 V CB 1.228 32.425 31.823 -1.044 0.000 0.991 567 V HN 0.823 nan 8.190 nan 0.000 0.427 568 K N 2.453 122.644 120.400 -0.348 0.000 2.960 568 K HA 0.412 4.724 4.320 -0.014 0.000 0.296 568 K C -1.220 175.403 176.600 0.039 0.000 1.092 568 K CA -1.205 55.067 56.287 -0.026 0.000 0.847 568 K CB 0.768 33.237 32.500 -0.051 0.000 1.458 568 K HN 0.456 nan 8.250 nan 0.000 0.359 569 R N 0.917 121.504 120.500 0.145 0.000 2.698 569 R HA 0.135 4.467 4.340 -0.014 0.000 0.266 569 R C 0.344 176.686 176.300 0.069 0.000 1.026 569 R CA -0.271 55.923 56.100 0.157 0.000 1.102 569 R CB -0.148 30.317 30.300 0.275 0.000 0.978 569 R HN 0.481 nan 8.270 nan 0.000 0.436 570 I N 4.199 124.745 120.570 -0.041 0.000 2.436 570 I HA 0.109 4.270 4.170 -0.014 0.000 0.289 570 I C 0.288 176.196 176.117 -0.348 0.000 1.083 570 I CA 0.289 61.500 61.300 -0.149 0.000 1.372 570 I CB -0.470 37.446 38.000 -0.140 0.000 1.408 570 I HN 0.427 nan 8.210 nan 0.000 0.516 571 H N 2.954 121.918 119.070 -0.177 0.000 2.996 571 H HA 0.238 4.786 4.556 -0.014 0.000 0.368 571 H C 0.608 175.808 175.328 -0.213 0.000 1.185 571 H CA -0.555 55.430 56.048 -0.105 0.000 1.160 571 H CB 1.853 31.506 29.762 -0.182 0.000 1.820 571 H HN 0.474 nan 8.280 nan 0.000 0.547 572 E N 0.975 121.218 120.200 0.072 0.000 2.118 572 E HA -0.266 4.076 4.350 -0.014 0.000 0.195 572 E C 1.247 177.569 176.600 -0.463 0.000 0.992 572 E CA 1.699 58.068 56.400 -0.052 0.000 0.804 572 E CB -0.024 29.834 29.700 0.263 0.000 0.741 572 E HN 0.664 nan 8.360 nan 0.000 0.458 573 Y N 0.725 120.484 120.300 -0.902 0.000 2.352 573 Y HA -0.040 4.502 4.550 -0.014 0.000 0.292 573 Y C 1.524 177.152 175.900 -0.452 0.000 1.136 573 Y CA 0.885 58.287 58.100 -1.164 0.000 1.227 573 Y CB -0.107 37.738 38.460 -1.025 0.000 0.991 573 Y HN -0.206 nan 8.280 nan 0.000 0.545 574 K N 0.696 120.617 120.400 -0.798 0.000 2.432 574 K HA 0.081 4.393 4.320 -0.014 0.000 0.196 574 K C 0.154 176.576 176.600 -0.297 0.000 1.038 574 K CA 0.464 56.409 56.287 -0.571 0.000 0.986 574 K CB -0.022 32.140 32.500 -0.563 0.000 0.782 574 K HN 0.249 nan 8.250 nan 0.000 0.485 575 R N 0.319 120.670 120.500 -0.248 0.000 3.422 575 R HA -0.244 4.088 4.340 -0.014 0.000 0.267 575 R C 0.314 176.529 176.300 -0.143 0.000 1.074 575 R CA 0.278 56.284 56.100 -0.156 0.000 0.718 575 R CB -1.990 28.235 30.300 -0.124 0.000 1.157 575 R HN 0.304 nan 8.270 nan 0.000 0.440 576 Q N 0.403 120.117 119.800 -0.142 0.000 2.197 576 Q HA -0.113 4.219 4.340 -0.014 0.000 0.207 576 Q C 2.055 178.002 176.000 -0.088 0.000 0.984 576 Q CA 1.696 57.432 55.803 -0.112 0.000 0.869 576 Q CB -0.051 28.624 28.738 -0.105 0.000 0.906 576 Q HN 0.587 nan 8.270 nan 0.000 0.426 577 L N -0.628 120.544 121.223 -0.084 0.000 2.083 577 L HA -0.187 4.145 4.340 -0.014 0.000 0.209 577 L C 2.051 178.917 176.870 -0.006 0.000 1.083 577 L CA 0.591 55.396 54.840 -0.058 0.000 0.752 577 L CB -0.336 41.698 42.059 -0.043 0.000 0.899 577 L HN 0.313 nan 8.230 nan 0.000 0.433 578 L N -0.026 121.186 121.223 -0.018 0.000 2.056 578 L HA -0.229 4.103 4.340 -0.014 0.000 0.207 578 L C 2.022 178.947 176.870 0.091 0.000 1.078 578 L CA 1.888 56.733 54.840 0.008 0.000 0.749 578 L CB -0.798 41.160 42.059 -0.168 0.000 0.901 578 L HN 0.270 nan 8.230 nan 0.000 0.433 579 N N -1.568 117.151 118.700 0.030 0.000 2.069 579 N HA -0.257 4.475 4.740 -0.014 0.000 0.191 579 N C 1.958 177.550 175.510 0.136 0.000 1.031 579 N CA 1.819 54.968 53.050 0.165 0.000 0.852 579 N CB -0.172 38.338 38.487 0.039 0.000 1.018 579 N HN 0.504 nan 8.380 nan 0.000 0.423 580 C N 0.523 119.836 119.300 0.023 0.000 2.401 580 C HA -0.104 4.348 4.460 -0.014 0.000 0.276 580 C C 2.579 177.558 174.990 -0.018 0.000 1.233 580 C CA 0.459 59.444 59.018 -0.056 0.000 1.753 580 C CB -1.288 26.366 27.740 -0.143 0.000 2.029 580 C HN 0.503 nan 8.230 nan 0.000 0.478 581 L N -0.528 120.748 121.223 0.088 0.000 2.093 581 L HA -0.175 4.156 4.340 -0.014 0.000 0.208 581 L C 2.757 179.783 176.870 0.261 0.000 1.085 581 L CA 1.717 56.658 54.840 0.168 0.000 0.755 581 L CB -1.090 41.133 42.059 0.274 0.000 0.904 581 L HN 0.579 nan 8.230 nan 0.000 0.435 582 H N 0.139 119.325 119.070 0.193 0.000 2.321 582 H HA -0.150 4.398 4.556 -0.014 0.000 0.300 582 H C 2.235 177.554 175.328 -0.015 0.000 1.087 582 H CA 2.020 58.089 56.048 0.035 0.000 1.319 582 H CB 0.307 30.002 29.762 -0.113 0.000 1.379 582 H HN 0.091 nan 8.280 nan 0.000 0.501 583 V N 1.537 121.365 119.914 -0.143 0.000 2.287 583 V HA -0.284 3.828 4.120 -0.014 0.000 0.248 583 V C 2.851 178.872 176.094 -0.122 0.000 1.053 583 V CA 1.976 64.155 62.300 -0.201 0.000 1.027 583 V CB -0.531 31.221 31.823 -0.118 0.000 0.646 583 V HN 0.389 nan 8.190 nan 0.000 0.447 584 I N -0.202 120.336 120.570 -0.054 0.000 2.286 584 I HA -0.225 3.936 4.170 -0.014 0.000 0.248 584 I C 2.523 178.697 176.117 0.094 0.000 1.115 584 I CA 1.747 63.087 61.300 0.068 0.000 1.392 584 I CB -0.730 37.288 38.000 0.029 0.000 1.065 584 I HN 0.327 nan 8.210 nan 0.000 0.418 585 T N 1.290 115.857 114.554 0.022 0.000 2.684 585 T HA -0.183 4.158 4.350 -0.014 0.000 0.267 585 T C 1.878 176.532 174.700 -0.075 0.000 1.036 585 T CA 1.336 63.440 62.100 0.006 0.000 1.148 585 T CB -0.308 68.591 68.868 0.052 0.000 0.863 585 T HN 0.080 nan 8.240 nan 0.000 0.436 586 L N 0.035 121.144 121.223 -0.191 0.000 2.012 586 L HA -0.032 4.300 4.340 -0.014 0.000 0.210 586 L C 2.118 178.949 176.870 -0.066 0.000 1.073 586 L CA 1.594 56.320 54.840 -0.190 0.000 0.748 586 L CB -1.107 40.766 42.059 -0.310 0.000 0.891 586 L HN 0.364 nan 8.230 nan 0.000 0.431 587 Y N 0.283 120.518 120.300 -0.108 0.000 2.128 587 Y HA -0.310 4.231 4.550 -0.014 0.000 0.284 587 Y C 2.446 178.326 175.900 -0.033 0.000 1.154 587 Y CA 1.925 60.001 58.100 -0.040 0.000 1.149 587 Y CB -0.100 38.382 38.460 0.037 0.000 0.976 587 Y HN 0.295 nan 8.280 nan 0.000 0.505 588 N N 0.392 119.032 118.700 -0.101 0.000 2.188 588 N HA -0.136 4.596 4.740 -0.014 0.000 0.184 588 N C 1.838 177.230 175.510 -0.197 0.000 1.018 588 N CA 1.486 54.417 53.050 -0.199 0.000 0.858 588 N CB -0.366 38.071 38.487 -0.083 0.000 0.989 588 N HN 0.445 nan 8.380 nan 0.000 0.426 589 R N 0.462 120.877 120.500 -0.141 0.000 2.075 589 R HA 0.063 4.395 4.340 -0.014 0.000 0.232 589 R C 2.257 178.472 176.300 -0.143 0.000 1.126 589 R CA 0.786 56.813 56.100 -0.123 0.000 0.963 589 R CB -0.271 29.970 30.300 -0.100 0.000 0.858 589 R HN 0.233 nan 8.270 nan 0.000 0.435 590 I N 0.994 121.461 120.570 -0.172 0.000 2.179 590 I HA -0.291 3.871 4.170 -0.014 0.000 0.242 590 I C 2.189 178.188 176.117 -0.196 0.000 1.088 590 I CA 1.253 62.452 61.300 -0.169 0.000 1.357 590 I CB -0.238 37.669 38.000 -0.156 0.000 1.051 590 I HN 0.045 nan 8.210 nan 0.000 0.409 591 K N 0.888 121.103 120.400 -0.309 0.000 2.103 591 K HA -0.220 4.092 4.320 -0.014 0.000 0.207 591 K C 2.023 178.519 176.600 -0.174 0.000 1.048 591 K CA 1.283 57.401 56.287 -0.282 0.000 0.930 591 K CB -0.353 31.890 32.500 -0.427 0.000 0.716 591 K HN 0.340 nan 8.250 nan 0.000 0.444 592 K N 1.181 121.485 120.400 -0.160 0.000 2.025 592 K HA -0.104 4.208 4.320 -0.014 0.000 0.207 592 K C 0.087 176.638 176.600 -0.083 0.000 1.049 592 K CA 1.186 57.407 56.287 -0.110 0.000 0.933 592 K CB 0.267 32.706 32.500 -0.101 0.000 0.714 592 K HN 0.094 nan 8.250 nan 0.000 0.438 593 E N 0.374 120.525 120.200 -0.082 0.000 2.916 593 E HA 0.122 4.464 4.350 -0.014 0.000 0.217 593 E C -2.291 174.274 176.600 -0.059 0.000 1.100 593 E CA -1.679 54.686 56.400 -0.058 0.000 0.891 593 E CB 1.671 31.343 29.700 -0.046 0.000 1.311 593 E HN 0.187 nan 8.360 nan 0.000 0.421 594 P HA -0.123 nan 4.420 nan 0.000 0.220 594 P C 0.235 177.516 177.300 -0.031 0.000 1.148 594 P CA 1.154 64.221 63.100 -0.054 0.000 0.803 594 P CB 0.215 31.887 31.700 -0.046 0.000 0.782 595 N N -1.319 117.371 118.700 -0.016 0.000 2.235 595 N HA 0.024 4.755 4.740 -0.014 0.000 0.209 595 N C 0.508 176.033 175.510 0.024 0.000 1.122 595 N CA -0.145 52.908 53.050 0.005 0.000 0.845 595 N CB 0.143 38.633 38.487 0.006 0.000 1.004 595 N HN -0.010 nan 8.380 nan 0.000 0.499 596 K N 1.172 121.580 120.400 0.014 0.000 2.174 596 K HA 0.129 4.441 4.320 -0.014 0.000 0.275 596 K C -0.825 175.813 176.600 0.064 0.000 1.015 596 K CA -0.520 55.791 56.287 0.039 0.000 0.933 596 K CB 0.600 33.105 32.500 0.008 0.000 1.025 596 K HN -0.050 nan 8.250 nan 0.000 0.463 597 F N 4.579 124.516 119.950 -0.022 0.000 2.495 597 F HA 0.162 4.681 4.527 -0.014 0.000 0.365 597 F C -0.301 175.485 175.800 -0.024 0.000 1.090 597 F CA -0.127 57.861 58.000 -0.020 0.000 1.235 597 F CB 0.579 39.570 39.000 -0.014 0.000 1.119 597 F HN 0.182 nan 8.300 nan 0.000 0.562 598 V N 4.421 123.800 119.914 -0.892 0.000 2.823 598 V HA 0.557 4.669 4.120 -0.014 0.000 0.312 598 V C -0.715 174.736 176.094 -1.071 0.000 1.072 598 V CA -1.197 60.673 62.300 -0.717 0.000 0.937 598 V CB 1.067 32.672 31.823 -0.364 0.000 1.013 598 V HN 0.569 nan 8.190 nan 0.000 0.430 599 V N 5.017 124.588 119.914 -0.571 0.000 2.493 599 V HA 0.189 4.301 4.120 -0.014 0.000 0.292 599 V C -1.828 174.090 176.094 -0.293 0.000 1.016 599 V CA -0.465 61.642 62.300 -0.322 0.000 1.097 599 V CB 0.313 32.079 31.823 -0.095 0.000 0.947 599 V HN 0.905 nan 8.190 nan 0.000 0.479 600 P HA 0.306 nan 4.420 nan 0.000 0.268 600 P C -0.398 176.805 177.300 -0.161 0.000 1.205 600 P CA -0.032 62.970 63.100 -0.163 0.000 0.771 600 P CB 0.527 32.181 31.700 -0.077 0.000 0.858 601 R N 1.084 121.502 120.500 -0.137 0.000 2.686 601 R HA 0.531 4.863 4.340 -0.014 0.000 0.283 601 R C -0.701 175.550 176.300 -0.082 0.000 0.978 601 R CA -0.606 55.415 56.100 -0.132 0.000 0.897 601 R CB 1.886 32.095 30.300 -0.151 0.000 1.192 601 R HN 0.313 nan 8.270 nan 0.000 0.457 602 T N 2.293 116.813 114.554 -0.057 0.000 2.770 602 T HA 0.240 4.582 4.350 -0.014 0.000 0.297 602 T C -0.288 174.313 174.700 -0.164 0.000 0.997 602 T CA -0.463 61.556 62.100 -0.135 0.000 0.949 602 T CB 1.120 69.831 68.868 -0.262 0.000 0.941 602 T HN 0.126 nan 8.240 nan 0.000 0.457 603 V N 6.021 125.849 119.914 -0.143 0.000 2.364 603 V HA 0.406 4.518 4.120 -0.014 0.000 0.272 603 V C 0.036 176.044 176.094 -0.143 0.000 1.036 603 V CA -0.433 61.790 62.300 -0.127 0.000 0.880 603 V CB 0.619 32.383 31.823 -0.097 0.000 0.991 603 V HN 0.862 nan 8.190 nan 0.000 0.460 604 M N 6.687 126.192 119.600 -0.159 0.000 2.227 604 M HA 0.622 5.094 4.480 -0.014 0.000 0.335 604 M C -0.966 175.220 176.300 -0.191 0.000 1.053 604 M CA -0.162 55.035 55.300 -0.171 0.000 0.973 604 M CB 2.005 34.502 32.600 -0.171 0.000 1.623 604 M HN 0.405 nan 8.290 nan 0.000 0.434 605 I N 1.805 122.241 120.570 -0.224 0.000 2.498 605 I HA 0.848 5.009 4.170 -0.014 0.000 0.290 605 I C 0.073 175.845 176.117 -0.575 0.000 1.032 605 I CA -0.607 60.531 61.300 -0.270 0.000 1.073 605 I CB 2.304 40.238 38.000 -0.110 0.000 1.251 605 I HN 0.812 nan 8.210 nan 0.000 0.426 606 G N 2.905 111.333 108.800 -0.620 0.000 2.692 606 G HA2 0.835 4.787 3.960 -0.014 0.000 0.291 606 G HA3 0.835 4.787 3.960 -0.014 0.000 0.291 606 G C -1.048 173.552 174.900 -0.499 0.000 1.423 606 G CA -0.729 43.847 45.100 -0.873 0.000 0.843 606 G HN 0.993 nan 8.290 nan 0.000 0.486 607 G N -0.466 108.198 108.800 -0.227 0.000 2.329 607 G HA2 0.398 4.350 3.960 -0.014 0.000 0.308 607 G HA3 0.398 4.350 3.960 -0.014 0.000 0.308 607 G C -1.244 173.791 174.900 0.225 0.000 1.587 607 G CA -1.033 44.110 45.100 0.072 0.000 0.978 607 G HN 0.597 nan 8.290 nan 0.000 0.685 608 K N 0.014 120.537 120.400 0.205 0.000 2.118 608 K HA 0.734 5.046 4.320 -0.014 0.000 0.267 608 K C 0.362 177.074 176.600 0.188 0.000 0.991 608 K CA -0.129 56.293 56.287 0.225 0.000 0.916 608 K CB 1.970 34.511 32.500 0.069 0.000 1.041 608 K HN 0.868 nan 8.250 nan 0.000 0.455 609 A N 1.503 124.459 122.820 0.227 0.000 2.312 609 A HA 0.611 4.923 4.320 -0.014 0.000 0.326 609 A C -0.361 177.375 177.584 0.254 0.000 1.172 609 A CA -0.711 51.390 52.037 0.107 0.000 0.821 609 A CB 0.907 19.899 19.000 -0.013 0.000 1.166 609 A HN 0.784 nan 8.150 nan 0.000 0.493 610 A N 3.473 126.420 122.820 0.212 0.000 2.540 610 A HA 0.455 4.767 4.320 -0.014 0.000 0.239 610 A C -1.455 176.219 177.584 0.150 0.000 1.061 610 A CA -0.752 51.438 52.037 0.255 0.000 0.758 610 A CB -0.346 18.798 19.000 0.240 0.000 0.991 610 A HN 0.594 nan 8.150 nan 0.000 0.502 611 P HA -0.107 nan 4.420 nan 0.000 0.218 611 P C 1.375 178.676 177.300 0.002 0.000 1.148 611 P CA 1.820 64.868 63.100 -0.086 0.000 0.822 611 P CB 0.206 31.784 31.700 -0.203 0.000 0.784 612 G N -2.730 106.103 108.800 0.055 0.000 2.985 612 G HA2 -0.119 3.833 3.960 -0.014 0.000 0.209 612 G HA3 -0.119 3.833 3.960 -0.014 0.000 0.209 612 G C -0.090 174.871 174.900 0.101 0.000 1.165 612 G CA -0.110 45.027 45.100 0.061 0.000 0.776 612 G HN 0.315 nan 8.290 nan 0.000 0.541 613 Y N 1.537 121.808 120.300 -0.048 0.000 2.650 613 Y HA 0.209 4.751 4.550 -0.014 0.000 0.343 613 Y C 1.598 177.500 175.900 0.004 0.000 1.078 613 Y CA -1.083 56.972 58.100 -0.075 0.000 1.356 613 Y CB 0.165 38.547 38.460 -0.130 0.000 1.204 613 Y HN 0.271 nan 8.280 nan 0.000 0.508 614 H N 4.380 123.584 119.070 0.224 0.000 2.319 614 H HA -0.207 4.341 4.556 -0.013 0.000 0.299 614 H C 1.801 177.174 175.328 0.075 0.000 1.092 614 H CA 2.262 58.382 56.048 0.119 0.000 1.302 614 H CB 0.394 30.218 29.762 0.103 0.000 1.373 614 H HN 0.740 nan 8.280 nan 0.000 0.497 615 M N 1.050 120.682 119.600 0.053 0.000 2.159 615 M HA -0.070 4.402 4.480 -0.014 0.000 0.263 615 M C 2.510 178.604 176.300 -0.343 0.000 1.063 615 M CA 1.786 57.029 55.300 -0.095 0.000 1.110 615 M CB -0.668 32.018 32.600 0.142 0.000 1.374 615 M HN 0.328 nan 8.290 nan 0.000 0.411 616 A N -0.308 122.076 122.820 -0.727 0.000 1.933 616 A HA -0.188 4.124 4.320 -0.014 0.000 0.218 616 A C 2.190 179.568 177.584 -0.344 0.000 1.175 616 A CA 1.847 53.460 52.037 -0.707 0.000 0.628 616 A CB -0.646 17.692 19.000 -1.104 0.000 0.814 616 A HN 0.590 nan 8.150 nan 0.000 0.444 617 K N -1.120 119.134 120.400 -0.242 0.000 2.148 617 K HA -0.051 4.261 4.320 -0.014 0.000 0.204 617 K C 1.915 178.467 176.600 -0.079 0.000 1.050 617 K CA 1.240 57.470 56.287 -0.095 0.000 0.942 617 K CB -0.214 32.292 32.500 0.010 0.000 0.724 617 K HN 0.346 nan 8.250 nan 0.000 0.446 618 M N 0.513 120.018 119.600 -0.158 0.000 2.175 618 M HA -0.072 4.400 4.480 -0.014 0.000 0.264 618 M C 2.113 178.353 176.300 -0.101 0.000 1.063 618 M CA 1.370 56.618 55.300 -0.086 0.000 1.119 618 M CB -0.610 31.924 32.600 -0.111 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N -0.154 120.316 120.570 -0.167 0.000 2.226 619 I HA -0.302 3.860 4.170 -0.014 0.000 0.245 619 I C 2.283 178.268 176.117 -0.220 0.000 1.100 619 I CA 1.070 62.258 61.300 -0.186 0.000 1.374 619 I CB -0.293 37.596 38.000 -0.186 0.000 1.057 619 I HN 0.169 nan 8.210 nan 0.000 0.413 620 I N 0.642 121.061 120.570 -0.252 0.000 2.179 620 I HA -0.315 3.847 4.170 -0.014 0.000 0.242 620 I C 2.614 178.449 176.117 -0.470 0.000 1.088 620 I CA 1.277 62.326 61.300 -0.418 0.000 1.357 620 I CB -0.327 37.395 38.000 -0.463 0.000 1.051 620 I HN 0.155 nan 8.210 nan 0.000 0.409 621 K N 1.587 121.732 120.400 -0.425 0.000 2.063 621 K HA -0.170 4.142 4.320 -0.014 0.000 0.208 621 K C 2.051 178.498 176.600 -0.254 0.000 1.048 621 K CA 1.590 57.554 56.287 -0.538 0.000 0.928 621 K CB -0.690 31.231 32.500 -0.965 0.000 0.713 621 K HN 0.229 nan 8.250 nan 0.000 0.442 622 L N 0.382 121.487 121.223 -0.197 0.000 2.013 622 L HA -0.217 4.115 4.340 -0.014 0.000 0.212 622 L C 2.259 178.892 176.870 -0.394 0.000 1.073 622 L CA 1.856 56.397 54.840 -0.498 0.000 0.753 622 L CB -0.304 41.374 42.059 -0.634 0.000 0.890 622 L HN 0.289 nan 8.230 nan 0.000 0.432 623 I N -0.390 120.001 120.570 -0.298 0.000 2.179 623 I HA -0.330 3.832 4.170 -0.014 0.000 0.242 623 I C 2.636 178.648 176.117 -0.175 0.000 1.088 623 I CA 1.915 63.092 61.300 -0.204 0.000 1.357 623 I CB -0.605 37.357 38.000 -0.063 0.000 1.051 623 I HN 0.438 nan 8.210 nan 0.000 0.409 624 T N -0.754 113.669 114.554 -0.219 0.000 2.821 624 T HA -0.084 4.258 4.350 -0.014 0.000 0.267 624 T C 1.998 176.630 174.700 -0.112 0.000 1.046 624 T CA 0.963 62.964 62.100 -0.166 0.000 1.139 624 T CB -0.506 68.219 68.868 -0.239 0.000 0.871 624 T HN 0.338 nan 8.240 nan 0.000 0.454 625 A N 1.508 124.261 122.820 -0.111 0.000 1.902 625 A HA 0.126 4.438 4.320 -0.014 0.000 0.217 625 A C 2.384 179.988 177.584 0.032 0.000 1.181 625 A CA 1.334 53.374 52.037 0.006 0.000 0.623 625 A CB -0.844 18.258 19.000 0.170 0.000 0.818 625 A HN 0.586 nan 8.150 nan 0.000 0.443 626 I N -0.286 120.199 120.570 -0.143 0.000 2.179 626 I HA -0.209 3.953 4.170 -0.014 0.000 0.242 626 I C 2.740 178.816 176.117 -0.069 0.000 1.088 626 I CA 1.170 62.363 61.300 -0.179 0.000 1.357 626 I CB -0.657 37.111 38.000 -0.387 0.000 1.051 626 I HN 0.391 nan 8.210 nan 0.000 0.409 627 G N 0.460 109.211 108.800 -0.082 0.000 2.476 627 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.218 627 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.218 627 G C 1.266 176.159 174.900 -0.012 0.000 1.164 627 G CA 1.176 46.239 45.100 -0.062 0.000 0.768 627 G HN 0.290 nan 8.290 nan 0.000 0.560 628 D N -0.048 120.378 120.400 0.044 0.000 2.149 628 D HA -0.090 4.542 4.640 -0.014 0.000 0.198 628 D C 2.706 179.103 176.300 0.161 0.000 0.990 628 D CA 0.776 54.859 54.000 0.139 0.000 0.839 628 D CB -0.264 40.572 40.800 0.059 0.000 0.948 628 D HN 0.253 nan 8.370 nan 0.000 0.460 629 V N 0.119 120.062 119.914 0.049 0.000 2.302 629 V HA -0.137 3.975 4.120 -0.014 0.000 0.243 629 V C 2.587 178.624 176.094 -0.094 0.000 1.036 629 V CA 0.778 63.049 62.300 -0.049 0.000 1.020 629 V CB -0.266 31.480 31.823 -0.130 0.000 0.657 629 V HN 0.033 nan 8.190 nan 0.000 0.453 630 V N 0.937 120.745 119.914 -0.177 0.000 2.358 630 V HA -0.194 3.918 4.120 -0.014 0.000 0.246 630 V C 2.129 178.173 176.094 -0.083 0.000 1.047 630 V CA 1.986 64.165 62.300 -0.201 0.000 1.035 630 V CB -0.822 30.882 31.823 -0.199 0.000 0.658 630 V HN 0.565 nan 8.190 nan 0.000 0.452 631 N N -0.402 118.206 118.700 -0.153 0.000 2.494 631 N HA -0.064 4.668 4.740 -0.014 0.000 0.182 631 N C 1.169 176.412 175.510 -0.444 0.000 1.076 631 N CA 0.822 53.690 53.050 -0.302 0.000 0.908 631 N CB -0.216 38.026 38.487 -0.409 0.000 0.967 631 N HN 0.677 nan 8.380 nan 0.000 0.449 632 H N -1.423 117.649 119.070 0.002 0.000 2.674 632 H HA 0.208 4.756 4.556 -0.013 0.000 0.274 632 H C -0.534 174.810 175.328 0.026 0.000 1.121 632 H CA -0.477 55.577 56.048 0.010 0.000 1.132 632 H CB 0.589 30.347 29.762 -0.006 0.000 1.606 632 H HN -0.017 nan 8.280 nan 0.000 0.558 633 D N 1.885 122.355 120.400 0.118 0.000 2.339 633 D HA 0.042 4.674 4.640 -0.014 0.000 0.241 633 D C -1.615 174.744 176.300 0.098 0.000 1.183 633 D CA -2.065 52.019 54.000 0.141 0.000 0.859 633 D CB 1.722 42.680 40.800 0.262 0.000 1.067 633 D HN 0.110 nan 8.370 nan 0.000 0.484 634 P HA -0.111 nan 4.420 nan 0.000 0.218 634 P C 1.607 178.930 177.300 0.038 0.000 1.149 634 P CA 0.332 63.462 63.100 0.050 0.000 0.817 634 P CB 0.410 32.135 31.700 0.042 0.000 0.785 635 V N -0.466 119.473 119.914 0.041 0.000 2.490 635 V HA -0.168 3.944 4.120 -0.014 0.000 0.250 635 V C 2.504 178.606 176.094 0.012 0.000 1.061 635 V CA 1.486 63.797 62.300 0.017 0.000 1.064 635 V CB -1.000 30.823 31.823 0.001 0.000 0.670 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.366 119.573 119.914 0.042 0.000 2.379 636 V HA 0.103 4.215 4.120 -0.014 0.000 0.245 636 V C 1.752 177.854 176.094 0.013 0.000 1.044 636 V CA 1.600 63.924 62.300 0.039 0.000 1.036 636 V CB -1.039 30.853 31.823 0.116 0.000 0.664 636 V HN 0.755 nan 8.190 nan 0.000 0.453 637 G N 1.446 110.257 108.800 0.019 0.000 2.550 637 G HA2 -0.356 3.596 3.960 -0.014 0.000 0.277 637 G HA3 -0.356 3.596 3.960 -0.014 0.000 0.277 637 G C 0.271 175.171 174.900 -0.000 0.000 1.190 637 G CA 0.396 45.501 45.100 0.009 0.000 0.971 637 G HN 0.656 nan 8.290 nan 0.000 0.559 638 D N 0.433 120.832 120.400 -0.001 0.000 2.358 638 D HA 0.155 4.786 4.640 -0.014 0.000 0.224 638 D C 1.845 178.134 176.300 -0.018 0.000 1.123 638 D CA 0.159 54.157 54.000 -0.003 0.000 0.833 638 D CB -0.115 40.693 40.800 0.013 0.000 0.946 638 D HN 0.608 nan 8.370 nan 0.000 0.505 639 R N -0.733 119.747 120.500 -0.035 0.000 2.161 639 R HA 0.206 4.537 4.340 -0.014 0.000 0.213 639 R C -0.007 176.245 176.300 -0.079 0.000 1.055 639 R CA 0.223 56.279 56.100 -0.074 0.000 0.996 639 R CB 0.300 30.538 30.300 -0.103 0.000 0.901 639 R HN 0.113 nan 8.270 nan 0.000 0.456 640 L N 0.698 121.891 121.223 -0.050 0.000 2.505 640 L HA 0.392 4.723 4.340 -0.014 0.000 0.266 640 L C -1.509 175.331 176.870 -0.050 0.000 0.954 640 L CA -0.477 54.331 54.840 -0.053 0.000 0.852 640 L CB 1.802 43.844 42.059 -0.027 0.000 1.282 640 L HN -0.170 nan 8.230 nan 0.000 0.403 641 R N 3.864 124.321 120.500 -0.072 0.000 2.628 641 R HA 0.788 5.120 4.340 -0.014 0.000 0.288 641 R C -1.679 174.560 176.300 -0.102 0.000 0.980 641 R CA -0.792 55.256 56.100 -0.087 0.000 0.891 641 R CB 2.463 32.712 30.300 -0.085 0.000 1.188 641 R HN 0.415 nan 8.270 nan 0.000 0.450 642 V N 4.724 124.576 119.914 -0.104 0.000 2.407 642 V HA 0.499 4.611 4.120 -0.014 0.000 0.291 642 V C -0.393 175.650 176.094 -0.085 0.000 1.018 642 V CA -0.736 61.505 62.300 -0.098 0.000 0.842 642 V CB 1.685 33.449 31.823 -0.098 0.000 0.996 642 V HN 0.549 nan 8.190 nan 0.000 0.426 643 I N 4.732 125.250 120.570 -0.086 0.000 2.498 643 I HA 0.446 4.608 4.170 -0.014 0.000 0.290 643 I C -0.691 175.403 176.117 -0.039 0.000 1.032 643 I CA -0.340 60.919 61.300 -0.069 0.000 1.073 643 I CB 1.979 39.912 38.000 -0.112 0.000 1.251 643 I HN 0.559 nan 8.210 nan 0.000 0.426 644 F N 7.048 126.924 119.950 -0.124 0.000 2.404 644 F HA 0.453 4.972 4.527 -0.013 0.000 0.358 644 F C -0.479 175.247 175.800 -0.123 0.000 1.120 644 F CA -0.612 57.318 58.000 -0.117 0.000 1.144 644 F CB 0.615 39.550 39.000 -0.108 0.000 1.133 644 F HN 0.165 nan 8.300 nan 0.000 0.495 645 L N 6.124 126.972 121.223 -0.626 0.000 2.407 645 L HA 0.153 4.485 4.340 -0.014 0.000 0.282 645 L C 0.227 176.851 176.870 -0.409 0.000 1.110 645 L CA 0.116 54.708 54.840 -0.412 0.000 0.863 645 L CB 0.119 42.006 42.059 -0.287 0.000 1.207 645 L HN 0.606 nan 8.230 nan 0.000 0.454 646 E N 3.384 123.484 120.200 -0.166 0.000 2.373 646 E HA 0.005 4.347 4.350 -0.014 0.000 0.267 646 E C 0.544 177.208 176.600 0.107 0.000 1.032 646 E CA -0.157 56.284 56.400 0.067 0.000 0.889 646 E CB 0.303 30.016 29.700 0.021 0.000 0.984 646 E HN 0.533 nan 8.360 nan 0.000 0.425 647 N N 2.566 121.384 118.700 0.197 0.000 2.740 647 N HA -0.279 4.453 4.740 -0.014 0.000 0.248 647 N C -1.558 174.049 175.510 0.161 0.000 1.062 647 N CA 0.514 53.675 53.050 0.185 0.000 0.704 647 N CB -1.643 36.967 38.487 0.205 0.000 0.968 647 N HN 0.503 nan 8.380 nan 0.000 0.547 648 Y N 1.618 121.928 120.300 0.017 0.000 2.721 648 Y HA 0.158 4.700 4.550 -0.014 0.000 0.329 648 Y C 1.140 177.061 175.900 0.036 0.000 1.211 648 Y CA 0.758 58.856 58.100 -0.003 0.000 1.512 648 Y CB 0.296 38.719 38.460 -0.062 0.000 1.249 648 Y HN 0.369 nan 8.280 nan 0.000 0.549 649 R N 2.479 122.626 120.500 -0.588 0.000 2.756 649 R HA 0.416 4.748 4.340 -0.014 0.000 0.273 649 R C -0.614 175.361 176.300 -0.542 0.000 1.030 649 R CA -0.558 55.304 56.100 -0.397 0.000 0.887 649 R CB 0.288 30.550 30.300 -0.063 0.000 1.274 649 R HN 0.361 nan 8.270 nan 0.000 0.461 650 V N 1.122 120.744 119.914 -0.487 0.000 2.287 650 V HA -0.284 3.828 4.120 -0.014 0.000 0.248 650 V C 2.607 178.577 176.094 -0.207 0.000 1.053 650 V CA 2.830 64.898 62.300 -0.387 0.000 1.027 650 V CB -0.804 30.744 31.823 -0.459 0.000 0.646 650 V HN 0.917 nan 8.190 nan 0.000 0.447 651 S N 0.023 115.625 115.700 -0.164 0.000 2.399 651 S HA -0.182 4.280 4.470 -0.014 0.000 0.231 651 S C 1.943 176.495 174.600 -0.081 0.000 1.022 651 S CA 1.641 59.773 58.200 -0.113 0.000 0.983 651 S CB -0.528 62.634 63.200 -0.063 0.000 0.803 651 S HN 0.380 nan 8.310 nan 0.000 0.480 652 L N 2.089 123.276 121.223 -0.060 0.000 2.072 652 L HA 0.281 4.613 4.340 -0.014 0.000 0.205 652 L C 2.747 179.642 176.870 0.041 0.000 1.079 652 L CA 1.468 56.320 54.840 0.020 0.000 0.752 652 L CB -1.395 40.738 42.059 0.124 0.000 0.906 652 L HN 0.362 nan 8.230 nan 0.000 0.436 653 A N -0.668 122.158 122.820 0.009 0.000 1.917 653 A HA -0.268 4.044 4.320 -0.014 0.000 0.219 653 A C 2.136 179.789 177.584 0.115 0.000 1.182 653 A CA 1.984 54.104 52.037 0.139 0.000 0.633 653 A CB -0.678 18.393 19.000 0.119 0.000 0.819 653 A HN 0.605 nan 8.150 nan 0.000 0.448 654 E N -0.566 119.677 120.200 0.072 0.000 2.265 654 E HA -0.163 4.179 4.350 -0.014 0.000 0.196 654 E C 1.884 178.449 176.600 -0.059 0.000 0.996 654 E CA 1.205 57.597 56.400 -0.014 0.000 0.832 654 E CB -0.045 29.548 29.700 -0.178 0.000 0.756 654 E HN 0.641 nan 8.360 nan 0.000 0.491 655 K N -0.088 120.262 120.400 -0.083 0.000 2.190 655 K HA 0.039 4.351 4.320 -0.014 0.000 0.202 655 K C 2.127 178.563 176.600 -0.274 0.000 1.045 655 K CA 0.368 56.592 56.287 -0.105 0.000 0.976 655 K CB 0.056 32.495 32.500 -0.101 0.000 0.849 655 K HN -0.054 nan 8.250 nan 0.000 0.468 656 V N 1.927 121.592 119.914 -0.416 0.000 2.488 656 V HA -0.124 3.988 4.120 -0.014 0.000 0.246 656 V C 1.901 177.754 176.094 -0.402 0.000 1.046 656 V CA 1.210 63.041 62.300 -0.781 0.000 1.053 656 V CB -0.155 31.295 31.823 -0.621 0.000 0.679 656 V HN 0.236 nan 8.190 nan 0.000 0.458 657 I N 0.746 121.128 120.570 -0.314 0.000 2.163 657 I HA -0.139 4.023 4.170 -0.014 0.000 0.243 657 I C -0.229 175.761 176.117 -0.213 0.000 1.085 657 I CA 1.667 62.700 61.300 -0.445 0.000 1.347 657 I CB -1.566 36.033 38.000 -0.669 0.000 1.044 657 I HN 0.368 nan 8.210 nan 0.000 0.408 658 P HA -0.120 nan 4.420 nan 0.000 0.222 658 P C 1.112 178.405 177.300 -0.011 0.000 1.147 658 P CA 1.322 64.396 63.100 -0.044 0.000 0.790 658 P CB 0.008 31.692 31.700 -0.027 0.000 0.780 659 A N -0.937 121.861 122.820 -0.037 0.000 2.178 659 A HA 0.386 4.698 4.320 -0.014 0.000 0.211 659 A C 1.265 178.940 177.584 0.151 0.000 1.157 659 A CA 0.296 52.364 52.037 0.052 0.000 0.780 659 A CB -0.823 18.221 19.000 0.072 0.000 0.828 659 A HN 0.214 nan 8.150 nan 0.000 0.476 660 A N -0.012 122.903 122.820 0.158 0.000 2.388 660 A HA 0.449 4.761 4.320 -0.014 0.000 0.257 660 A C 0.381 178.117 177.584 0.253 0.000 1.095 660 A CA -0.115 52.084 52.037 0.270 0.000 0.791 660 A CB 0.318 19.577 19.000 0.431 0.000 1.029 660 A HN 0.282 nan 8.150 nan 0.000 0.489 661 D N 0.458 121.012 120.400 0.256 0.000 2.338 661 D HA 0.116 4.748 4.640 -0.014 0.000 0.224 661 D C 0.062 176.586 176.300 0.374 0.000 0.967 661 D CA 0.798 55.008 54.000 0.350 0.000 0.896 661 D CB 0.266 41.199 40.800 0.221 0.000 1.028 661 D HN 0.362 nan 8.370 nan 0.000 0.493 662 L N 1.076 122.400 121.223 0.169 0.000 2.376 662 L HA 0.285 4.617 4.340 -0.014 0.000 0.275 662 L C -0.839 175.917 176.870 -0.191 0.000 0.987 662 L CA -0.306 54.552 54.840 0.029 0.000 0.828 662 L CB 2.082 44.130 42.059 -0.017 0.000 1.249 662 L HN -0.183 nan 8.230 nan 0.000 0.409 663 S N 4.337 119.833 115.700 -0.340 0.000 2.422 663 S HA 0.324 4.786 4.470 -0.014 0.000 0.308 663 S C -0.374 173.951 174.600 -0.460 0.000 1.097 663 S CA -0.667 57.085 58.200 -0.746 0.000 1.099 663 S CB 0.624 63.332 63.200 -0.820 0.000 0.976 663 S HN 0.550 nan 8.310 nan 0.000 0.471 664 E N 4.123 124.066 120.200 -0.427 0.000 2.089 664 E HA 0.203 4.545 4.350 -0.014 0.000 0.284 664 E C -0.527 175.959 176.600 -0.191 0.000 1.023 664 E CA -0.390 55.881 56.400 -0.214 0.000 0.819 664 E CB 0.972 30.576 29.700 -0.160 0.000 1.076 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.842 122.588 119.800 -0.090 0.000 2.907 665 Q HA 0.269 4.601 4.340 -0.014 0.000 0.262 665 Q C 0.606 176.598 176.000 -0.013 0.000 0.997 665 Q CA -0.125 55.640 55.803 -0.064 0.000 0.797 665 Q CB 0.243 28.954 28.738 -0.045 0.000 1.228 665 Q HN 0.620 nan 8.270 nan 0.000 0.466 666 I N -1.854 118.691 120.570 -0.041 0.000 3.707 666 I HA 0.267 4.429 4.170 -0.014 0.000 0.330 666 I C 0.431 176.498 176.117 -0.083 0.000 1.572 666 I CA -0.686 60.606 61.300 -0.014 0.000 1.104 666 I CB 0.598 38.592 38.000 -0.010 0.000 1.240 666 I HN 0.019 nan 8.210 nan 0.000 0.475 667 S N 0.596 116.245 115.700 -0.086 0.000 2.563 667 S HA 0.139 4.601 4.470 -0.014 0.000 0.284 667 S C 0.592 175.172 174.600 -0.033 0.000 1.331 667 S CA -0.192 57.975 58.200 -0.055 0.000 1.047 667 S CB 0.136 63.352 63.200 0.027 0.000 0.859 667 S HN 0.389 nan 8.310 nan 0.000 0.514 668 T N 3.038 117.603 114.554 0.019 0.000 2.908 668 T HA 0.351 4.692 4.350 -0.014 0.000 0.301 668 T C 0.811 175.521 174.700 0.017 0.000 1.019 668 T CA 0.323 62.443 62.100 0.033 0.000 1.152 668 T CB -0.113 68.846 68.868 0.151 0.000 0.966 668 T HN 1.060 nan 8.240 nan 0.000 0.540 669 A N 2.764 125.562 122.820 -0.037 0.000 2.580 669 A HA 0.435 4.747 4.320 -0.014 0.000 0.244 669 A C 1.653 179.232 177.584 -0.008 0.000 1.045 669 A CA 0.308 52.321 52.037 -0.040 0.000 0.761 669 A CB -0.905 18.059 19.000 -0.061 0.000 0.962 669 A HN 1.795 nan 8.150 nan 0.000 0.512 670 G N 1.341 110.136 108.800 -0.008 0.000 2.176 670 G HA2 -0.224 3.728 3.960 -0.014 0.000 0.232 670 G HA3 -0.224 3.728 3.960 -0.014 0.000 0.232 670 G C 0.814 175.707 174.900 -0.011 0.000 0.986 670 G CA 1.121 46.218 45.100 -0.004 0.000 0.643 670 G HN 2.028 nan 8.290 nan 0.000 0.522 671 T N -2.651 111.896 114.554 -0.013 0.000 3.026 671 T HA 0.411 4.753 4.350 -0.014 0.000 0.245 671 T C 0.722 175.285 174.700 -0.228 0.000 1.004 671 T CA 1.005 63.041 62.100 -0.107 0.000 1.069 671 T CB 0.559 69.422 68.868 -0.008 0.000 1.005 671 T HN 0.266 nan 8.240 nan 0.000 0.472 672 E N 1.634 121.831 120.200 -0.004 0.000 2.052 672 E HA 0.656 4.998 4.350 -0.014 0.000 0.283 672 E C 1.183 177.739 176.600 -0.073 0.000 1.071 672 E CA 0.111 56.545 56.400 0.057 0.000 0.851 672 E CB 0.777 30.563 29.700 0.143 0.000 1.066 672 E HN 0.370 nan 8.360 nan 0.000 0.396 673 A N 3.431 126.128 122.820 -0.204 0.000 1.892 673 A HA -0.223 4.089 4.320 -0.014 0.000 0.218 673 A C 2.007 179.465 177.584 -0.210 0.000 1.188 673 A CA 2.285 54.063 52.037 -0.432 0.000 0.631 673 A CB -0.296 18.175 19.000 -0.881 0.000 0.822 673 A HN 0.606 nan 8.150 nan 0.000 0.447 674 S N -3.772 111.864 115.700 -0.107 0.000 3.624 674 S HA 0.452 4.913 4.470 -0.014 0.000 0.244 674 S C 0.757 175.350 174.600 -0.012 0.000 1.115 674 S CA 1.452 59.638 58.200 -0.024 0.000 0.820 674 S CB -0.143 63.066 63.200 0.016 0.000 0.964 674 S HN 2.273 nan 8.310 nan 0.000 0.508 675 G N 0.359 109.156 108.800 -0.005 0.000 2.722 675 G HA2 -0.074 3.877 3.960 -0.014 0.000 0.686 675 G HA3 -0.074 3.877 3.960 -0.014 0.000 0.686 675 G C 0.258 175.143 174.900 -0.025 0.000 1.282 675 G CA 0.448 45.542 45.100 -0.009 0.000 0.817 675 G HN 1.319 nan 8.290 nan 0.000 0.605 676 T N -1.868 112.657 114.554 -0.049 0.000 2.992 676 T HA 0.384 4.726 4.350 -0.014 0.000 0.255 676 T C 2.392 176.997 174.700 -0.158 0.000 0.938 676 T CA 1.259 63.301 62.100 -0.096 0.000 0.895 676 T CB 0.237 69.038 68.868 -0.112 0.000 1.221 676 T HN 1.907 nan 8.240 nan 0.000 0.512 677 G N 3.274 112.009 108.800 -0.109 0.000 2.440 677 G HA2 -0.306 3.646 3.960 -0.014 0.000 0.218 677 G HA3 -0.306 3.646 3.960 -0.014 0.000 0.218 677 G C 1.466 176.425 174.900 0.098 0.000 1.154 677 G CA 1.291 46.357 45.100 -0.057 0.000 0.767 677 G HN 0.837 nan 8.290 nan 0.000 0.552 678 N N -0.020 118.710 118.700 0.050 0.000 2.060 678 N HA -0.135 4.596 4.740 -0.014 0.000 0.195 678 N C 1.446 176.957 175.510 0.002 0.000 1.028 678 N CA 0.795 53.868 53.050 0.038 0.000 0.861 678 N CB -0.373 38.095 38.487 -0.032 0.000 1.029 678 N HN 0.353 nan 8.380 nan 0.000 0.428 682 M N 0.297 119.977 119.600 0.133 0.000 2.159 682 M HA -0.147 4.325 4.480 -0.014 0.000 0.263 682 M C 1.965 178.312 176.300 0.079 0.000 1.063 682 M CA 1.768 57.115 55.300 0.078 0.000 1.110 682 M CB -0.046 32.585 32.600 0.052 0.000 1.374 682 M HN 0.311 nan 8.290 nan 0.000 0.411 683 L N 0.752 122.020 121.223 0.075 0.000 2.217 683 L HA -0.078 4.254 4.340 -0.014 0.000 0.211 683 L C 1.341 178.254 176.870 0.071 0.000 1.107 683 L CA 1.653 56.546 54.840 0.087 0.000 0.783 683 L CB -0.675 41.445 42.059 0.102 0.000 0.919 683 L HN 0.353 nan 8.230 nan 0.000 0.442 684 N N -0.339 118.393 118.700 0.053 0.000 2.235 684 N HA 0.171 4.903 4.740 -0.014 0.000 0.209 684 N C 0.835 176.379 175.510 0.055 0.000 1.122 684 N CA 0.789 53.864 53.050 0.042 0.000 0.845 684 N CB 0.599 39.087 38.487 0.001 0.000 1.004 684 N HN 0.391 nan 8.380 nan 0.000 0.499 685 G N 0.579 109.417 108.800 0.064 0.000 2.142 685 G HA2 -0.193 3.759 3.960 -0.014 0.000 0.225 685 G HA3 -0.193 3.759 3.960 -0.014 0.000 0.225 685 G C -0.017 174.948 174.900 0.107 0.000 1.015 685 G CA 0.119 45.256 45.100 0.062 0.000 0.716 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.255 122.642 122.820 0.129 0.000 2.312 686 A HA 0.874 5.186 4.320 -0.014 0.000 0.328 686 A C 0.466 178.056 177.584 0.008 0.000 1.158 686 A CA -0.610 51.520 52.037 0.155 0.000 0.821 686 A CB 0.961 20.115 19.000 0.257 0.000 1.170 686 A HN 0.720 nan 8.150 nan 0.000 0.490 687 L N 0.866 122.051 121.223 -0.063 0.000 2.421 687 L HA 0.411 4.743 4.340 -0.014 0.000 0.263 687 L C 0.226 176.975 176.870 -0.202 0.000 1.122 687 L CA -0.292 54.419 54.840 -0.216 0.000 0.804 687 L CB 1.377 43.217 42.059 -0.365 0.000 1.150 687 L HN 0.684 nan 8.230 nan 0.000 0.457 688 T N 2.869 117.181 114.554 -0.403 0.000 2.779 688 T HA 0.442 4.783 4.350 -0.014 0.000 0.280 688 T C -0.345 174.176 174.700 -0.300 0.000 0.987 688 T CA -0.253 61.553 62.100 -0.489 0.000 0.966 688 T CB 1.397 69.749 68.868 -0.860 0.000 0.933 688 T HN 0.347 nan 8.240 nan 0.000 0.442 689 I N 3.106 123.616 120.570 -0.099 0.000 2.321 689 I HA 0.706 4.868 4.170 -0.014 0.000 0.291 689 I C 0.140 176.394 176.117 0.229 0.000 0.998 689 I CA 0.113 61.479 61.300 0.110 0.000 1.227 689 I CB 0.301 38.306 38.000 0.009 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 3.978 113.013 108.800 0.392 0.000 2.646 690 G HA2 0.441 4.393 3.960 -0.014 0.000 0.291 690 G HA3 0.441 4.393 3.960 -0.014 0.000 0.291 690 G C -0.905 173.967 174.900 -0.047 0.000 1.445 690 G CA -0.451 44.804 45.100 0.258 0.000 0.814 690 G HN 0.590 nan 8.290 nan 0.000 0.495 691 T N -1.156 113.222 114.554 -0.293 0.000 2.849 691 T HA 0.482 4.824 4.350 -0.014 0.000 0.284 691 T C 0.801 175.395 174.700 -0.177 0.000 1.004 691 T CA -0.660 61.180 62.100 -0.433 0.000 1.021 691 T CB 1.058 69.681 68.868 -0.408 0.000 1.013 691 T HN 0.270 nan 8.240 nan 0.000 0.527 692 M N 2.960 122.459 119.600 -0.168 0.000 3.254 692 M HA 0.299 4.771 4.480 -0.014 0.000 0.257 692 M C -0.398 175.849 176.300 -0.088 0.000 1.490 692 M CA 0.059 55.293 55.300 -0.110 0.000 1.620 692 M CB -1.819 30.722 32.600 -0.098 0.000 1.157 692 M HN 0.733 nan 8.290 nan 0.000 0.541 693 D N 0.066 120.423 120.400 -0.072 0.000 2.671 693 D HA 0.667 5.299 4.640 -0.014 0.000 0.232 693 D C 0.703 176.985 176.300 -0.030 0.000 1.114 693 D CA 0.703 54.675 54.000 -0.046 0.000 0.858 693 D CB 1.739 42.514 40.800 -0.041 0.000 1.544 693 D HN 0.602 nan 8.370 nan 0.000 0.471 694 G N 1.749 110.540 108.800 -0.014 0.000 2.627 694 G HA2 -0.263 3.689 3.960 -0.014 0.000 0.312 694 G HA3 -0.263 3.689 3.960 -0.014 0.000 0.312 694 G C 1.059 175.957 174.900 -0.003 0.000 1.299 694 G CA 1.191 46.288 45.100 -0.005 0.000 0.989 694 G HN 1.061 nan 8.290 nan 0.000 0.547 695 A N -0.386 122.430 122.820 -0.007 0.000 2.168 695 A HA 0.074 4.386 4.320 -0.014 0.000 0.215 695 A C 2.133 179.667 177.584 -0.083 0.000 1.152 695 A CA 1.854 53.887 52.037 -0.008 0.000 0.716 695 A CB -0.463 18.530 19.000 -0.013 0.000 0.794 695 A HN 0.636 nan 8.150 nan 0.000 0.465 696 N N 0.613 119.267 118.700 -0.076 0.000 2.091 696 N HA -0.167 4.565 4.740 -0.014 0.000 0.193 696 N C 1.595 176.967 175.510 -0.230 0.000 1.021 696 N CA 1.663 54.657 53.050 -0.093 0.000 0.862 696 N CB -0.692 37.795 38.487 0.000 0.000 1.018 696 N HN 0.292 nan 8.380 nan 0.000 0.429 697 V N 1.248 121.075 119.914 -0.144 0.000 2.332 697 V HA -0.219 3.893 4.120 -0.014 0.000 0.248 697 V C 1.986 178.002 176.094 -0.129 0.000 1.055 697 V CA 1.727 63.939 62.300 -0.147 0.000 1.038 697 V CB -0.486 31.291 31.823 -0.076 0.000 0.651 697 V HN 0.363 nan 8.190 nan 0.000 0.450 698 E N -0.659 119.526 120.200 -0.025 0.000 2.158 698 E HA -0.114 4.228 4.350 -0.014 0.000 0.191 698 E C 2.218 178.936 176.600 0.197 0.000 0.982 698 E CA 0.968 57.431 56.400 0.105 0.000 0.823 698 E CB -0.180 29.663 29.700 0.239 0.000 0.766 698 E HN 0.539 nan 8.360 nan 0.000 0.468 699 M N 0.592 120.204 119.600 0.019 0.000 2.086 699 M HA -0.163 4.309 4.480 -0.014 0.000 0.261 699 M C 2.515 178.642 176.300 -0.287 0.000 1.067 699 M CA 1.618 56.861 55.300 -0.095 0.000 1.116 699 M CB -0.245 32.191 32.600 -0.273 0.000 1.348 699 M HN 0.144 nan 8.290 nan 0.000 0.407 700 A N -0.101 122.251 122.820 -0.779 0.000 1.902 700 A HA -0.228 4.084 4.320 -0.014 0.000 0.217 700 A C 1.999 179.406 177.584 -0.294 0.000 1.181 700 A CA 2.026 53.560 52.037 -0.838 0.000 0.623 700 A CB -0.834 17.628 19.000 -0.898 0.000 0.818 700 A HN 0.594 nan 8.150 nan 0.000 0.443 701 E N -0.437 119.653 120.200 -0.184 0.000 2.077 701 E HA -0.216 4.126 4.350 -0.014 0.000 0.193 701 E C 1.825 178.406 176.600 -0.031 0.000 0.989 701 E CA 1.260 57.611 56.400 -0.083 0.000 0.800 701 E CB -0.077 29.591 29.700 -0.053 0.000 0.746 701 E HN 0.560 nan 8.360 nan 0.000 0.452 702 E N 0.193 120.406 120.200 0.021 0.000 2.047 702 E HA -0.150 4.191 4.350 -0.014 0.000 0.191 702 E C 1.914 178.546 176.600 0.053 0.000 0.987 702 E CA 1.191 57.624 56.400 0.056 0.000 0.799 702 E CB -0.267 29.523 29.700 0.150 0.000 0.752 702 E HN 0.367 nan 8.360 nan 0.000 0.449 703 A N 0.442 123.301 122.820 0.066 0.000 2.067 703 A HA 0.291 4.603 4.320 -0.014 0.000 0.217 703 A C 1.084 178.689 177.584 0.034 0.000 1.156 703 A CA 1.146 53.230 52.037 0.078 0.000 0.683 703 A CB -0.147 18.951 19.000 0.162 0.000 0.808 703 A HN 0.274 nan 8.150 nan 0.000 0.455 704 G N -0.591 108.207 108.800 -0.003 0.000 3.039 704 G HA2 -0.109 3.843 3.960 -0.014 0.000 0.686 704 G HA3 -0.109 3.843 3.960 -0.014 0.000 0.686 704 G C -0.006 174.881 174.900 -0.023 0.000 1.066 704 G CA 0.002 45.090 45.100 -0.020 0.000 0.774 704 G HN 0.277 nan 8.290 nan 0.000 0.591 705 E N 1.052 121.225 120.200 -0.045 0.000 2.209 705 E HA -0.162 4.180 4.350 -0.014 0.000 0.196 705 E C 2.008 178.595 176.600 -0.021 0.000 0.993 705 E CA 1.702 58.080 56.400 -0.036 0.000 0.819 705 E CB 0.081 29.755 29.700 -0.044 0.000 0.745 705 E HN 0.780 nan 8.360 nan 0.000 0.477 706 E N 0.701 120.876 120.200 -0.042 0.000 2.338 706 E HA -0.084 4.258 4.350 -0.014 0.000 0.197 706 E C 0.923 177.439 176.600 -0.141 0.000 1.007 706 E CA 0.614 56.967 56.400 -0.079 0.000 0.849 706 E CB -0.007 29.658 29.700 -0.058 0.000 0.774 706 E HN 0.142 nan 8.360 nan 0.000 0.506 707 N N -0.369 118.278 118.700 -0.089 0.000 2.238 707 N HA 0.164 4.896 4.740 -0.014 0.000 0.222 707 N C -1.030 174.408 175.510 -0.119 0.000 1.133 707 N CA 0.030 53.001 53.050 -0.131 0.000 0.854 707 N CB 0.447 38.906 38.487 -0.046 0.000 1.041 707 N HN 0.048 nan 8.380 nan 0.000 0.510 708 F N -0.292 119.448 119.950 -0.350 0.000 2.588 708 F HA 0.411 4.929 4.527 -0.015 0.000 0.310 708 F C -0.992 174.590 175.800 -0.363 0.000 1.082 708 F CA -1.059 56.778 58.000 -0.271 0.000 0.929 708 F CB 1.382 40.309 39.000 -0.122 0.000 1.254 708 F HN -0.218 nan 8.300 nan 0.000 0.455 709 F N 5.664 125.597 119.950 -0.028 0.000 2.329 709 F HA 0.442 4.961 4.527 -0.013 0.000 0.362 709 F C -0.183 175.759 175.800 0.237 0.000 1.113 709 F CA -0.392 57.648 58.000 0.067 0.000 1.212 709 F CB 0.105 39.087 39.000 -0.031 0.000 1.509 709 F HN 0.076 nan 8.300 nan 0.000 0.546 710 I N 4.201 124.999 120.570 0.379 0.000 2.396 710 I HA 0.397 4.559 4.170 -0.014 0.000 0.292 710 I C -0.306 176.014 176.117 0.339 0.000 0.999 710 I CA -0.640 60.851 61.300 0.318 0.000 1.310 710 I CB 0.853 38.957 38.000 0.173 0.000 1.404 710 I HN 0.349 nan 8.210 nan 0.000 0.496 711 F N 3.676 123.700 119.950 0.124 0.000 2.685 711 F HA 0.944 5.463 4.527 -0.014 0.000 0.315 711 F C -0.024 175.819 175.800 0.071 0.000 1.126 711 F CA -0.695 57.364 58.000 0.098 0.000 0.950 711 F CB 1.041 40.113 39.000 0.119 0.000 1.360 711 F HN 0.775 nan 8.300 nan 0.000 0.469 712 G N 1.020 109.854 108.800 0.057 0.000 2.710 712 G HA2 -0.044 3.908 3.960 -0.014 0.000 0.668 712 G HA3 -0.044 3.908 3.960 -0.014 0.000 0.668 712 G C -0.974 173.887 174.900 -0.066 0.000 1.320 712 G CA -0.681 44.392 45.100 -0.045 0.000 0.860 712 G HN 0.952 nan 8.290 nan 0.000 0.538 713 M N 0.984 120.558 119.600 -0.043 0.000 2.248 713 M HA 0.207 4.679 4.480 -0.014 0.000 0.345 713 M C 1.232 177.492 176.300 -0.066 0.000 1.243 713 M CA 0.019 55.303 55.300 -0.027 0.000 1.090 713 M CB 0.286 32.879 32.600 -0.011 0.000 1.683 713 M HN 0.513 nan 8.290 nan 0.000 0.450 714 R N 1.865 122.341 120.500 -0.041 0.000 2.583 714 R HA 0.225 4.557 4.340 -0.014 0.000 0.268 714 R C 1.253 177.533 176.300 -0.034 0.000 1.101 714 R CA -0.535 55.537 56.100 -0.046 0.000 1.180 714 R CB -0.077 30.203 30.300 -0.033 0.000 1.128 714 R HN 0.580 nan 8.270 nan 0.000 0.568 715 V N 1.572 121.465 119.914 -0.034 0.000 2.317 715 V HA -0.302 3.809 4.120 -0.014 0.000 0.251 715 V C 1.898 177.981 176.094 -0.018 0.000 1.065 715 V CA 2.187 64.471 62.300 -0.026 0.000 1.049 715 V CB -0.456 31.350 31.823 -0.028 0.000 0.651 715 V HN 0.643 nan 8.190 nan 0.000 0.450 716 E N -0.108 120.083 120.200 -0.014 0.000 2.153 716 E HA -0.172 4.170 4.350 -0.014 0.000 0.194 716 E C 1.946 178.549 176.600 0.005 0.000 0.988 716 E CA 1.282 57.678 56.400 -0.006 0.000 0.811 716 E CB -0.334 29.363 29.700 -0.005 0.000 0.746 716 E HN 0.632 nan 8.360 nan 0.000 0.466 717 D N -0.146 120.258 120.400 0.008 0.000 2.144 717 D HA -0.092 4.539 4.640 -0.014 0.000 0.200 717 D C 1.965 178.280 176.300 0.026 0.000 0.978 717 D CA 0.769 54.784 54.000 0.025 0.000 0.833 717 D CB -0.069 40.748 40.800 0.029 0.000 0.961 717 D HN 0.064 nan 8.370 nan 0.000 0.470 718 V N 1.828 121.744 119.914 0.004 0.000 2.295 718 V HA -0.207 3.904 4.120 -0.014 0.000 0.246 718 V C 1.993 178.088 176.094 0.001 0.000 1.049 718 V CA 1.652 63.948 62.300 -0.007 0.000 1.024 718 V CB -0.389 31.419 31.823 -0.025 0.000 0.648 718 V HN 0.031 nan 8.190 nan 0.000 0.447 719 D N -0.107 120.293 120.400 0.001 0.000 2.104 719 D HA -0.166 4.466 4.640 -0.014 0.000 0.194 719 D C 2.406 178.717 176.300 0.019 0.000 0.994 719 D CA 1.310 55.312 54.000 0.004 0.000 0.830 719 D CB -0.259 40.539 40.800 -0.002 0.000 0.959 719 D HN 0.323 nan 8.370 nan 0.000 0.452 720 R N 0.102 120.618 120.500 0.027 0.000 2.091 720 R HA -0.059 4.273 4.340 -0.014 0.000 0.238 720 R C 2.514 178.850 176.300 0.060 0.000 1.136 720 R CA 0.636 56.760 56.100 0.040 0.000 0.959 720 R CB -0.401 29.924 30.300 0.043 0.000 0.856 720 R HN 0.196 nan 8.270 nan 0.000 0.437 721 L N 0.526 121.794 121.223 0.075 0.000 2.093 721 L HA -0.210 4.122 4.340 -0.014 0.000 0.208 721 L C 1.445 178.382 176.870 0.112 0.000 1.085 721 L CA 1.336 56.248 54.840 0.120 0.000 0.755 721 L CB -0.271 41.876 42.059 0.145 0.000 0.904 721 L HN 0.255 nan 8.230 nan 0.000 0.435 722 D N -0.501 119.938 120.400 0.066 0.000 2.117 722 D HA -0.213 4.419 4.640 -0.014 0.000 0.197 722 D C 2.202 178.533 176.300 0.051 0.000 0.987 722 D CA 1.128 55.159 54.000 0.052 0.000 0.829 722 D CB -0.050 40.760 40.800 0.016 0.000 0.961 722 D HN 0.442 nan 8.370 nan 0.000 0.460 723 Q N 0.005 119.831 119.800 0.044 0.000 2.124 723 Q HA -0.094 4.238 4.340 -0.014 0.000 0.202 723 Q C 2.229 178.256 176.000 0.045 0.000 0.977 723 Q CA 0.894 56.719 55.803 0.037 0.000 0.850 723 Q CB 0.043 28.798 28.738 0.030 0.000 0.901 723 Q HN 0.137 nan 8.270 nan 0.000 0.429 724 R N -0.311 120.224 120.500 0.058 0.000 2.119 724 R HA 0.032 4.363 4.340 -0.014 0.000 0.222 724 R C -0.134 176.207 176.300 0.068 0.000 1.088 724 R CA 0.843 56.980 56.100 0.060 0.000 0.984 724 R CB 0.309 30.652 30.300 0.071 0.000 0.884 724 R HN 0.265 nan 8.270 nan 0.000 0.447 725 G N -0.025 108.830 108.800 0.091 0.000 3.355 725 G HA2 -0.264 3.688 3.960 -0.014 0.000 0.686 725 G HA3 -0.264 3.688 3.960 -0.014 0.000 0.686 725 G C -1.383 173.615 174.900 0.163 0.000 1.097 725 G CA -0.376 44.788 45.100 0.106 0.000 0.881 725 G HN 0.270 nan 8.290 nan 0.000 0.550 726 Y N 3.665 124.002 120.300 0.061 0.000 2.436 726 Y HA 0.505 5.047 4.550 -0.013 0.000 0.343 726 Y C 0.584 176.547 175.900 0.105 0.000 1.008 726 Y CA -0.629 57.528 58.100 0.094 0.000 1.241 726 Y CB 0.757 39.252 38.460 0.058 0.000 1.153 726 Y HN 0.584 nan 8.280 nan 0.000 0.521 727 N N 5.162 123.675 118.700 -0.311 0.000 2.558 727 N HA 0.343 5.075 4.740 -0.014 0.000 0.242 727 N C 0.302 175.578 175.510 -0.389 0.000 0.979 727 N CA 0.199 53.068 53.050 -0.302 0.000 0.931 727 N CB 1.138 39.563 38.487 -0.102 0.000 1.122 727 N HN 0.878 nan 8.380 nan 0.000 0.508 728 A N 3.010 125.507 122.820 -0.538 0.000 1.972 728 A HA -0.212 4.100 4.320 -0.014 0.000 0.219 728 A C 2.013 179.730 177.584 0.221 0.000 1.169 728 A CA 1.247 53.181 52.037 -0.172 0.000 0.635 728 A CB -0.381 18.441 19.000 -0.297 0.000 0.810 728 A HN 0.774 nan 8.150 nan 0.000 0.446 729 Q N 0.295 120.122 119.800 0.046 0.000 2.135 729 Q HA -0.236 4.095 4.340 -0.014 0.000 0.204 729 Q C 1.887 177.967 176.000 0.134 0.000 0.981 729 Q CA 2.285 58.137 55.803 0.082 0.000 0.856 729 Q CB -0.364 28.378 28.738 0.006 0.000 0.902 729 Q HN 0.773 nan 8.270 nan 0.000 0.425 730 E N -1.393 118.825 120.200 0.030 0.000 2.085 730 E HA -0.242 4.100 4.350 -0.014 0.000 0.194 730 E C 1.514 178.041 176.600 -0.122 0.000 0.994 730 E CA 1.454 57.797 56.400 -0.095 0.000 0.801 730 E CB -0.206 29.343 29.700 -0.251 0.000 0.743 730 E HN 0.597 nan 8.360 nan 0.000 0.453 731 Y N -1.107 119.261 120.300 0.112 0.000 2.220 731 Y HA -0.198 4.344 4.550 -0.014 0.000 0.291 731 Y C 2.221 178.117 175.900 -0.007 0.000 1.129 731 Y CA 1.508 59.662 58.100 0.090 0.000 1.161 731 Y CB -0.682 37.892 38.460 0.190 0.000 0.997 731 Y HN 0.211 nan 8.280 nan 0.000 0.522 732 Y N 1.359 121.683 120.300 0.040 0.000 2.165 732 Y HA -0.289 4.253 4.550 -0.014 0.000 0.286 732 Y C 1.794 177.659 175.900 -0.059 0.000 1.155 732 Y CA 1.893 59.941 58.100 -0.087 0.000 1.164 732 Y CB -0.369 38.093 38.460 0.002 0.000 0.978 732 Y HN 0.092 nan 8.280 nan 0.000 0.513 733 D N -0.463 120.019 120.400 0.135 0.000 2.224 733 D HA -0.086 4.546 4.640 -0.014 0.000 0.205 733 D C 1.854 178.125 176.300 -0.049 0.000 0.965 733 D CA 1.173 55.199 54.000 0.042 0.000 0.852 733 D CB -0.065 40.781 40.800 0.077 0.000 0.947 733 D HN 0.489 nan 8.370 nan 0.000 0.494 734 R N -0.307 120.164 120.500 -0.048 0.000 2.308 734 R HA 0.285 4.617 4.340 -0.014 0.000 0.202 734 R C 0.371 176.647 176.300 -0.040 0.000 0.898 734 R CA 0.062 56.136 56.100 -0.044 0.000 1.046 734 R CB 1.161 31.434 30.300 -0.045 0.000 1.026 734 R HN 0.131 nan 8.270 nan 0.000 0.512 735 I N 2.452 122.981 120.570 -0.068 0.000 2.428 735 I HA 0.225 4.387 4.170 -0.014 0.000 0.279 735 I C -1.940 174.085 176.117 -0.154 0.000 1.040 735 I CA -2.322 58.941 61.300 -0.060 0.000 1.171 735 I CB 1.979 39.980 38.000 0.002 0.000 1.312 735 I HN -0.284 nan 8.210 nan 0.000 0.470 736 P HA -0.158 nan 4.420 nan 0.000 0.215 736 P C 1.215 178.421 177.300 -0.157 0.000 1.153 736 P CA 1.326 64.334 63.100 -0.153 0.000 0.853 736 P CB 0.298 31.941 31.700 -0.096 0.000 0.788 737 E N -0.994 119.150 120.200 -0.092 0.000 2.110 737 E HA -0.174 4.168 4.350 -0.014 0.000 0.193 737 E C 1.843 178.348 176.600 -0.159 0.000 0.988 737 E CA 0.727 57.089 56.400 -0.064 0.000 0.804 737 E CB -0.559 29.173 29.700 0.053 0.000 0.745 737 E HN 0.125 nan 8.360 nan 0.000 0.458 738 L N 1.096 122.138 121.223 -0.302 0.000 2.072 738 L HA -0.109 4.223 4.340 -0.014 0.000 0.205 738 L C 2.362 178.964 176.870 -0.446 0.000 1.079 738 L CA 1.557 56.055 54.840 -0.569 0.000 0.752 738 L CB -0.269 41.297 42.059 -0.820 0.000 0.906 738 L HN -0.096 nan 8.230 nan 0.000 0.436 739 R N -0.780 119.433 120.500 -0.478 0.000 2.091 739 R HA -0.249 4.083 4.340 -0.014 0.000 0.238 739 R C 2.386 178.518 176.300 -0.279 0.000 1.136 739 R CA 2.027 57.762 56.100 -0.607 0.000 0.959 739 R CB -0.374 29.470 30.300 -0.760 0.000 0.856 739 R HN 0.610 nan 8.270 nan 0.000 0.437 740 Q N 0.482 120.154 119.800 -0.214 0.000 2.061 740 Q HA -0.203 4.129 4.340 -0.014 0.000 0.204 740 Q C 2.097 178.046 176.000 -0.084 0.000 0.984 740 Q CA 2.187 57.910 55.803 -0.133 0.000 0.846 740 Q CB -0.155 28.506 28.738 -0.128 0.000 0.902 740 Q HN 0.486 nan 8.270 nan 0.000 0.421 741 I N 0.639 121.157 120.570 -0.086 0.000 2.163 741 I HA -0.301 3.861 4.170 -0.014 0.000 0.243 741 I C 2.181 178.324 176.117 0.043 0.000 1.085 741 I CA 0.741 62.032 61.300 -0.015 0.000 1.347 741 I CB -0.361 37.602 38.000 -0.061 0.000 1.044 741 I HN 0.320 nan 8.210 nan 0.000 0.408 742 I N 0.831 121.422 120.570 0.035 0.000 2.286 742 I HA -0.253 3.909 4.170 -0.014 0.000 0.248 742 I C 2.456 178.673 176.117 0.167 0.000 1.115 742 I CA 1.707 63.096 61.300 0.148 0.000 1.392 742 I CB -1.294 36.881 38.000 0.293 0.000 1.065 742 I HN 0.360 nan 8.210 nan 0.000 0.418 743 E N 0.226 120.504 120.200 0.130 0.000 2.106 743 E HA -0.216 4.125 4.350 -0.014 0.000 0.192 743 E C 2.176 178.840 176.600 0.108 0.000 0.984 743 E CA 0.797 57.267 56.400 0.116 0.000 0.806 743 E CB -0.088 29.651 29.700 0.065 0.000 0.750 743 E HN 0.578 nan 8.360 nan 0.000 0.458 744 Q N 0.490 120.342 119.800 0.086 0.000 2.050 744 Q HA -0.132 4.200 4.340 -0.014 0.000 0.202 744 Q C 2.362 178.553 176.000 0.318 0.000 0.980 744 Q CA 0.992 56.869 55.803 0.123 0.000 0.840 744 Q CB -0.040 28.713 28.738 0.025 0.000 0.898 744 Q HN 0.293 nan 8.270 nan 0.000 0.424 745 L N -0.041 121.373 121.223 0.319 0.000 1.989 745 L HA -0.222 4.110 4.340 -0.014 0.000 0.211 745 L C 2.502 179.557 176.870 0.308 0.000 1.071 745 L CA 1.141 56.182 54.840 0.335 0.000 0.749 745 L CB -0.489 41.679 42.059 0.182 0.000 0.890 745 L HN 0.155 nan 8.230 nan 0.000 0.431 746 S N -0.229 115.605 115.700 0.225 0.000 2.370 746 S HA -0.177 4.285 4.470 -0.014 0.000 0.226 746 S C 2.081 176.784 174.600 0.171 0.000 1.033 746 S CA 1.657 59.968 58.200 0.185 0.000 1.011 746 S CB -0.288 63.000 63.200 0.148 0.000 0.852 746 S HN 0.624 nan 8.310 nan 0.000 0.457 747 S N 0.306 116.109 115.700 0.171 0.000 2.522 747 S HA 0.297 4.759 4.470 -0.014 0.000 0.227 747 S C 1.416 176.107 174.600 0.151 0.000 0.986 747 S CA 0.784 59.069 58.200 0.142 0.000 0.929 747 S CB -0.065 63.211 63.200 0.126 0.000 0.769 747 S HN 0.859 nan 8.310 nan 0.000 0.529 748 G N 0.490 109.412 108.800 0.203 0.000 2.131 748 G HA2 -0.270 3.682 3.960 -0.014 0.000 0.201 748 G HA3 -0.270 3.682 3.960 -0.014 0.000 0.201 748 G C 0.173 175.168 174.900 0.158 0.000 1.000 748 G CA 0.090 45.298 45.100 0.181 0.000 0.680 748 G HN 0.511 nan 8.290 nan 0.000 0.514 749 F N 0.261 120.223 119.950 0.020 0.000 2.161 749 F HA 0.154 4.673 4.527 -0.014 0.000 0.300 749 F C 1.889 177.503 175.800 -0.310 0.000 1.089 749 F CA 2.019 59.908 58.000 -0.184 0.000 1.282 749 F CB -0.038 38.774 39.000 -0.313 0.000 1.010 749 F HN 0.177 nan 8.300 nan 0.000 0.485 750 F N -0.231 119.827 119.950 0.181 0.000 2.693 750 F HA 0.194 4.713 4.527 -0.014 0.000 0.303 750 F C 0.558 176.452 175.800 0.157 0.000 1.097 750 F CA 0.227 58.294 58.000 0.111 0.000 1.330 750 F CB -0.116 38.974 39.000 0.151 0.000 1.067 750 F HN -0.041 nan 8.300 nan 0.000 0.565 751 S N -1.930 113.897 115.700 0.212 0.000 2.564 751 S HA 0.301 4.763 4.470 -0.014 0.000 0.141 751 S C -2.496 172.112 174.600 0.013 0.000 1.474 751 S CA -0.972 57.280 58.200 0.086 0.000 1.236 751 S CB 0.912 64.116 63.200 0.006 0.000 1.481 751 S HN -0.181 nan 8.310 nan 0.000 0.397 752 P HA -0.024 nan 4.420 nan 0.000 0.217 752 P C 0.839 178.124 177.300 -0.024 0.000 1.150 752 P CA 1.135 64.207 63.100 -0.046 0.000 0.832 752 P CB 0.059 31.705 31.700 -0.089 0.000 0.787 753 K N -1.334 119.052 120.400 -0.024 0.000 2.444 753 K HA 0.086 4.398 4.320 -0.014 0.000 0.193 753 K C 0.813 177.407 176.600 -0.010 0.000 1.024 753 K CA 0.282 56.560 56.287 -0.015 0.000 1.077 753 K CB 0.216 32.707 32.500 -0.015 0.000 0.833 753 K HN 0.111 nan 8.250 nan 0.000 0.517 754 Q N -0.043 119.749 119.800 -0.014 0.000 3.825 754 Q HA 0.134 4.466 4.340 -0.014 0.000 0.218 754 Q C -2.407 173.581 176.000 -0.020 0.000 0.882 754 Q CA -1.442 54.349 55.803 -0.020 0.000 0.766 754 Q CB 1.082 29.799 28.738 -0.034 0.000 1.497 754 Q HN -0.095 nan 8.270 nan 0.000 0.428 755 P HA -0.148 nan 4.420 nan 0.000 0.219 755 P C 0.456 177.788 177.300 0.055 0.000 1.146 755 P CA 1.209 64.335 63.100 0.042 0.000 0.808 755 P CB 0.232 31.959 31.700 0.044 0.000 0.779 756 D N -1.207 119.210 120.400 0.027 0.000 2.368 756 D HA -0.001 4.631 4.640 -0.014 0.000 0.218 756 D C 1.583 177.882 176.300 -0.002 0.000 1.112 756 D CA -0.264 53.760 54.000 0.040 0.000 0.834 756 D CB -0.630 40.196 40.800 0.043 0.000 0.953 756 D HN 0.013 nan 8.370 nan 0.000 0.505 757 L N -0.063 121.094 121.223 -0.111 0.000 2.043 757 L HA -0.066 4.266 4.340 -0.014 0.000 0.212 757 L C 1.211 177.881 176.870 -0.333 0.000 1.075 757 L CA 1.686 56.343 54.840 -0.305 0.000 0.752 757 L CB -0.591 41.096 42.059 -0.620 0.000 0.891 757 L HN -0.005 nan 8.230 nan 0.000 0.432 758 F N -0.777 119.227 119.950 0.090 0.000 2.668 758 F HA 0.122 4.641 4.527 -0.013 0.000 0.297 758 F C 1.833 177.682 175.800 0.082 0.000 1.124 758 F CA -0.168 57.874 58.000 0.071 0.000 1.353 758 F CB -0.255 38.776 39.000 0.052 0.000 0.992 758 F HN 0.102 nan 8.300 nan 0.000 0.524 759 K N -0.348 120.171 120.400 0.197 0.000 2.103 759 K HA -0.192 4.120 4.320 -0.014 0.000 0.207 759 K C 1.041 177.742 176.600 0.168 0.000 1.048 759 K CA 2.012 58.397 56.287 0.164 0.000 0.930 759 K CB -0.290 32.283 32.500 0.123 0.000 0.716 759 K HN 0.052 nan 8.250 nan 0.000 0.444 760 D N 1.217 121.730 120.400 0.190 0.000 2.117 760 D HA -0.104 4.528 4.640 -0.014 0.000 0.197 760 D C 2.039 178.439 176.300 0.166 0.000 0.987 760 D CA 1.209 55.333 54.000 0.207 0.000 0.829 760 D CB -0.148 40.817 40.800 0.275 0.000 0.961 760 D HN 0.303 nan 8.370 nan 0.000 0.460 761 I N 0.449 121.117 120.570 0.163 0.000 2.179 761 I HA -0.224 3.938 4.170 -0.014 0.000 0.242 761 I C 2.440 178.583 176.117 0.044 0.000 1.088 761 I CA 0.616 61.972 61.300 0.093 0.000 1.357 761 I CB -0.230 37.824 38.000 0.089 0.000 1.051 761 I HN -0.112 nan 8.210 nan 0.000 0.409 762 V N 1.304 121.270 119.914 0.087 0.000 2.287 762 V HA -0.292 3.820 4.120 -0.014 0.000 0.248 762 V C 2.185 178.271 176.094 -0.013 0.000 1.053 762 V CA 1.986 64.321 62.300 0.059 0.000 1.027 762 V CB -0.914 30.972 31.823 0.105 0.000 0.646 762 V HN 0.454 nan 8.190 nan 0.000 0.447 763 N N -0.383 118.340 118.700 0.039 0.000 2.120 763 N HA -0.163 4.569 4.740 -0.014 0.000 0.188 763 N C 1.798 177.206 175.510 -0.169 0.000 1.024 763 N CA 1.577 54.670 53.050 0.070 0.000 0.852 763 N CB -0.441 38.169 38.487 0.206 0.000 1.003 763 N HN 0.361 nan 8.380 nan 0.000 0.424 764 M N 0.432 119.840 119.600 -0.321 0.000 2.067 764 M HA -0.102 4.370 4.480 -0.014 0.000 0.260 764 M C 1.527 177.535 176.300 -0.487 0.000 1.069 764 M CA 1.246 56.085 55.300 -0.767 0.000 1.117 764 M CB -0.531 31.895 32.600 -0.290 0.000 1.334 764 M HN -0.002 nan 8.290 nan 0.000 0.407 765 L N 0.736 121.767 121.223 -0.319 0.000 2.042 765 L HA -0.224 4.108 4.340 -0.014 0.000 0.210 765 L C 2.481 179.012 176.870 -0.566 0.000 1.076 765 L CA 1.696 56.273 54.840 -0.438 0.000 0.749 765 L CB -1.193 40.673 42.059 -0.320 0.000 0.893 765 L HN 0.352 nan 8.230 nan 0.000 0.432 766 M N -1.893 117.441 119.600 -0.442 0.000 2.288 766 M HA -0.083 4.389 4.480 -0.014 0.000 0.266 766 M C 1.793 177.701 176.300 -0.653 0.000 1.072 766 M CA 1.481 56.441 55.300 -0.568 0.000 1.132 766 M CB -0.776 31.378 32.600 -0.742 0.000 1.386 766 M HN 0.347 nan 8.290 nan 0.000 0.432 767 H N -2.108 116.881 119.070 -0.136 0.000 3.400 767 H HA 0.231 4.779 4.556 -0.013 0.000 0.251 767 H C 0.443 175.806 175.328 0.058 0.000 1.040 767 H CA 0.498 56.531 56.048 -0.025 0.000 1.175 767 H CB 0.517 30.315 29.762 0.060 0.000 1.487 767 H HN 0.492 nan 8.280 nan 0.000 0.505 768 H N -0.695 118.432 119.070 0.095 0.000 2.901 768 H HA 0.229 4.777 4.556 -0.013 0.000 0.227 768 H C -1.204 174.148 175.328 0.039 0.000 1.390 768 H CA -0.393 55.699 56.048 0.073 0.000 1.120 768 H CB 0.157 29.964 29.762 0.075 0.000 2.131 768 H HN -0.056 nan 8.280 nan 0.000 0.549 769 D N 1.971 122.377 120.400 0.011 0.000 2.441 769 D HA 0.139 4.771 4.640 -0.014 0.000 0.221 769 D C 1.068 177.308 176.300 -0.099 0.000 1.156 769 D CA -0.447 53.537 54.000 -0.027 0.000 0.896 769 D CB 0.756 41.519 40.800 -0.062 0.000 1.028 769 D HN 0.379 nan 8.370 nan 0.000 0.509 770 R N 2.233 122.586 120.500 -0.245 0.000 2.237 770 R HA -0.058 4.274 4.340 -0.014 0.000 0.219 770 R C 0.581 176.379 176.300 -0.835 0.000 1.080 770 R CA 0.917 56.653 56.100 -0.607 0.000 0.995 770 R CB 0.079 29.819 30.300 -0.934 0.000 0.875 770 R HN 0.409 nan 8.270 nan 0.000 0.462 771 F N 0.170 120.064 119.950 -0.095 0.000 2.683 771 F HA 0.281 4.800 4.527 -0.013 0.000 0.306 771 F C 0.010 175.673 175.800 -0.228 0.000 1.102 771 F CA -0.715 57.216 58.000 -0.114 0.000 1.244 771 F CB 0.270 39.262 39.000 -0.012 0.000 1.029 771 F HN -0.255 nan 8.300 nan 0.000 0.545 772 K N -0.264 119.928 120.400 -0.347 0.000 3.257 772 K HA -0.172 4.139 4.320 -0.014 0.000 0.270 772 K C 0.958 177.427 176.600 -0.219 0.000 0.984 772 K CA 0.192 56.082 56.287 -0.661 0.000 0.739 772 K CB -1.838 30.214 32.500 -0.747 0.000 1.351 772 K HN 0.208 nan 8.250 nan 0.000 0.463 773 V N -0.032 119.831 119.914 -0.084 0.000 2.287 773 V HA -0.286 3.826 4.120 -0.014 0.000 0.248 773 V C 1.949 178.182 176.094 0.232 0.000 1.053 773 V CA 2.293 64.629 62.300 0.060 0.000 1.027 773 V CB -0.491 31.366 31.823 0.057 0.000 0.646 773 V HN 0.495 nan 8.190 nan 0.000 0.447 774 F N 0.144 120.094 119.950 0.001 0.000 2.186 774 F HA -0.143 4.376 4.527 -0.014 0.000 0.299 774 F C 2.527 178.125 175.800 -0.338 0.000 1.090 774 F CA 0.623 58.572 58.000 -0.085 0.000 1.307 774 F CB -0.368 38.593 39.000 -0.065 0.000 1.019 774 F HN 0.196 nan 8.300 nan 0.000 0.489 775 A N -0.524 122.122 122.820 -0.290 0.000 2.070 775 A HA -0.192 4.120 4.320 -0.014 0.000 0.220 775 A C 1.429 179.002 177.584 -0.017 0.000 1.159 775 A CA 1.817 53.590 52.037 -0.439 0.000 0.656 775 A CB -0.458 18.440 19.000 -0.171 0.000 0.800 775 A HN 0.224 nan 8.150 nan 0.000 0.453 776 D N -2.833 117.618 120.400 0.085 0.000 2.369 776 D HA 0.089 4.721 4.640 -0.014 0.000 0.211 776 D C 1.161 177.628 176.300 0.277 0.000 1.077 776 D CA -0.018 54.107 54.000 0.210 0.000 0.842 776 D CB -0.102 40.829 40.800 0.219 0.000 0.947 776 D HN 0.588 nan 8.370 nan 0.000 0.509 777 Y N 2.019 122.403 120.300 0.141 0.000 2.114 777 Y HA -0.196 4.346 4.550 -0.013 0.000 0.284 777 Y C 2.069 178.056 175.900 0.146 0.000 1.143 777 Y CA 1.846 60.040 58.100 0.155 0.000 1.135 777 Y CB 0.169 38.690 38.460 0.101 0.000 0.980 777 Y HN -0.113 nan 8.280 nan 0.000 0.499 778 E N 0.041 120.313 120.200 0.120 0.000 2.038 778 E HA -0.251 4.090 4.350 -0.014 0.000 0.195 778 E C 2.182 178.755 176.600 -0.046 0.000 1.000 778 E CA 1.610 58.009 56.400 -0.001 0.000 0.803 778 E CB -0.194 29.602 29.700 0.160 0.000 0.750 778 E HN 0.633 nan 8.360 nan 0.000 0.448 779 E N -0.189 120.060 120.200 0.081 0.000 2.118 779 E HA -0.212 4.130 4.350 -0.014 0.000 0.195 779 E C 1.946 178.544 176.600 -0.003 0.000 0.992 779 E CA 0.865 57.336 56.400 0.118 0.000 0.804 779 E CB -0.152 29.713 29.700 0.275 0.000 0.741 779 E HN 0.263 nan 8.360 nan 0.000 0.458 780 Y N 1.278 121.393 120.300 -0.308 0.000 2.114 780 Y HA -0.232 4.309 4.550 -0.014 0.000 0.284 780 Y C 2.180 177.688 175.900 -0.654 0.000 1.143 780 Y CA 1.043 58.642 58.100 -0.835 0.000 1.135 780 Y CB -0.598 37.426 38.460 -0.726 0.000 0.980 780 Y HN -0.206 nan 8.280 nan 0.000 0.499 781 V N 0.588 120.139 119.914 -0.604 0.000 2.332 781 V HA -0.339 3.773 4.120 -0.014 0.000 0.248 781 V C 2.318 178.180 176.094 -0.386 0.000 1.055 781 V CA 2.430 64.391 62.300 -0.564 0.000 1.038 781 V CB -0.633 30.887 31.823 -0.506 0.000 0.651 781 V HN 0.303 nan 8.190 nan 0.000 0.450 782 K N -0.919 119.323 120.400 -0.262 0.000 2.057 782 K HA -0.203 4.109 4.320 -0.014 0.000 0.207 782 K C 2.290 178.800 176.600 -0.149 0.000 1.049 782 K CA 1.742 57.940 56.287 -0.148 0.000 0.931 782 K CB -0.626 31.837 32.500 -0.063 0.000 0.714 782 K HN 0.544 nan 8.250 nan 0.000 0.440 783 C N 1.233 120.419 119.300 -0.190 0.000 2.429 783 C HA -0.095 4.357 4.460 -0.014 0.000 0.277 783 C C 2.577 177.389 174.990 -0.296 0.000 1.262 783 C CA 0.787 59.723 59.018 -0.136 0.000 1.733 783 C CB -0.645 27.037 27.740 -0.096 0.000 2.010 783 C HN 0.438 nan 8.230 nan 0.000 0.483 784 Q N 0.501 119.979 119.800 -0.537 0.000 2.170 784 Q HA -0.176 4.156 4.340 -0.014 0.000 0.203 784 Q C 2.000 177.796 176.000 -0.341 0.000 0.976 784 Q CA 1.669 57.106 55.803 -0.609 0.000 0.858 784 Q CB -0.414 27.697 28.738 -1.045 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.195 120.258 120.200 -0.230 0.000 2.077 785 E HA -0.145 4.197 4.350 -0.014 0.000 0.193 785 E C 2.084 178.644 176.600 -0.067 0.000 0.989 785 E CA 0.620 56.950 56.400 -0.116 0.000 0.800 785 E CB -0.032 29.621 29.700 -0.078 0.000 0.746 785 E HN 0.270 nan 8.360 nan 0.000 0.452 786 R N 0.449 120.920 120.500 -0.047 0.000 2.115 786 R HA -0.088 4.244 4.340 -0.014 0.000 0.230 786 R C 2.412 178.745 176.300 0.056 0.000 1.111 786 R CA 0.878 57.025 56.100 0.077 0.000 0.976 786 R CB -0.317 30.104 30.300 0.201 0.000 0.870 786 R HN 0.072 nan 8.270 nan 0.000 0.445 787 V N 0.614 120.348 119.914 -0.300 0.000 2.295 787 V HA -0.243 3.869 4.120 -0.014 0.000 0.246 787 V C 2.216 178.295 176.094 -0.025 0.000 1.049 787 V CA 1.979 63.990 62.300 -0.483 0.000 1.024 787 V CB -0.395 31.005 31.823 -0.706 0.000 0.648 787 V HN 0.281 nan 8.190 nan 0.000 0.447 788 S N 0.127 115.779 115.700 -0.080 0.000 2.370 788 S HA -0.195 4.267 4.470 -0.014 0.000 0.226 788 S C 2.216 176.870 174.600 0.090 0.000 1.033 788 S CA 1.443 59.629 58.200 -0.023 0.000 1.011 788 S CB -0.536 62.625 63.200 -0.065 0.000 0.852 788 S HN 0.655 nan 8.310 nan 0.000 0.457 789 A N 1.370 124.249 122.820 0.099 0.000 1.908 789 A HA -0.034 4.278 4.320 -0.014 0.000 0.218 789 A C 2.105 179.806 177.584 0.195 0.000 1.181 789 A CA 1.163 53.280 52.037 0.134 0.000 0.627 789 A CB -0.720 18.349 19.000 0.116 0.000 0.818 789 A HN 0.463 nan 8.150 nan 0.000 0.445 790 L N -2.108 119.293 121.223 0.297 0.000 2.093 790 L HA -0.143 4.189 4.340 -0.014 0.000 0.208 790 L C 2.462 179.602 176.870 0.450 0.000 1.085 790 L CA 1.750 56.840 54.840 0.417 0.000 0.755 790 L CB -0.421 42.006 42.059 0.614 0.000 0.904 790 L HN 0.607 nan 8.230 nan 0.000 0.435 791 Y N 0.947 121.363 120.300 0.193 0.000 2.333 791 Y HA -0.260 4.283 4.550 -0.012 0.000 0.290 791 Y C 2.432 178.262 175.900 -0.117 0.000 1.144 791 Y CA 1.542 59.497 58.100 -0.241 0.000 1.228 791 Y CB -0.027 38.066 38.460 -0.612 0.000 0.985 791 Y HN 0.058 nan 8.280 nan 0.000 0.542 792 K N -0.061 120.393 120.400 0.089 0.000 2.281 792 K HA -0.168 4.143 4.320 -0.014 0.000 0.203 792 K C 0.355 176.946 176.600 -0.014 0.000 1.046 792 K CA 0.968 57.288 56.287 0.054 0.000 0.938 792 K CB -0.128 32.438 32.500 0.111 0.000 0.737 792 K HN 0.060 nan 8.250 nan 0.000 0.458 793 N N 0.192 118.897 118.700 0.009 0.000 2.800 793 N HA 0.137 4.868 4.740 -0.014 0.000 0.240 793 N C -2.446 173.067 175.510 0.005 0.000 1.096 793 N CA -2.259 50.800 53.050 0.014 0.000 0.877 793 N CB 1.222 39.748 38.487 0.064 0.000 1.138 793 N HN -0.196 nan 8.380 nan 0.000 0.509 794 P HA -0.151 nan 4.420 nan 0.000 0.216 794 P C 1.372 178.683 177.300 0.017 0.000 1.150 794 P CA 1.022 64.050 63.100 -0.119 0.000 0.843 794 P CB 0.424 32.025 31.700 -0.165 0.000 0.787 795 R N 0.093 120.603 120.500 0.017 0.000 2.081 795 R HA -0.139 4.193 4.340 -0.014 0.000 0.235 795 R C 1.897 178.237 176.300 0.067 0.000 1.131 795 R CA 1.370 57.490 56.100 0.034 0.000 0.960 795 R CB -0.310 30.002 30.300 0.020 0.000 0.856 795 R HN 0.083 nan 8.270 nan 0.000 0.436 796 E N -0.103 120.148 120.200 0.085 0.000 2.158 796 E HA -0.202 4.140 4.350 -0.014 0.000 0.191 796 E C 1.592 178.270 176.600 0.129 0.000 0.982 796 E CA 0.517 56.971 56.400 0.090 0.000 0.823 796 E CB -0.420 29.331 29.700 0.085 0.000 0.766 796 E HN 0.502 nan 8.360 nan 0.000 0.468 797 W N 2.264 123.562 121.300 -0.003 0.000 2.333 797 W HA -0.211 4.440 4.660 -0.015 0.000 0.316 797 W C 1.613 178.136 176.519 0.008 0.000 1.215 797 W CA 2.201 59.557 57.345 0.019 0.000 1.278 797 W CB -0.408 29.030 29.460 -0.036 0.000 1.154 797 W HN 0.036 nan 8.180 nan 0.000 0.486 798 T N 1.095 115.774 114.554 0.209 0.000 2.821 798 T HA -0.166 4.175 4.350 -0.014 0.000 0.267 798 T C 1.843 176.545 174.700 0.003 0.000 1.046 798 T CA 1.712 63.867 62.100 0.091 0.000 1.139 798 T CB -0.317 68.595 68.868 0.073 0.000 0.871 798 T HN 0.172 nan 8.240 nan 0.000 0.454 799 R N 0.467 120.977 120.500 0.017 0.000 2.096 799 R HA 0.069 4.401 4.340 -0.014 0.000 0.235 799 R C 2.509 178.795 176.300 -0.023 0.000 1.127 799 R CA 1.252 57.362 56.100 0.016 0.000 0.968 799 R CB -0.337 29.980 30.300 0.028 0.000 0.861 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.458 120.008 119.600 -0.082 0.000 2.175 800 M HA -0.138 4.334 4.480 -0.014 0.000 0.264 800 M C 1.934 178.136 176.300 -0.162 0.000 1.063 800 M CA 1.358 56.572 55.300 -0.142 0.000 1.119 800 M CB 0.172 32.635 32.600 -0.229 0.000 1.377 800 M HN -0.006 nan 8.290 nan 0.000 0.415 801 V N 1.003 120.794 119.914 -0.205 0.000 2.287 801 V HA -0.328 3.784 4.120 -0.014 0.000 0.248 801 V C 2.206 178.274 176.094 -0.043 0.000 1.053 801 V CA 2.129 64.341 62.300 -0.147 0.000 1.027 801 V CB -0.647 31.106 31.823 -0.116 0.000 0.646 801 V HN 0.506 nan 8.190 nan 0.000 0.447 802 I N -0.603 119.963 120.570 -0.006 0.000 2.264 802 I HA -0.263 3.898 4.170 -0.014 0.000 0.248 802 I C 2.687 178.850 176.117 0.076 0.000 1.111 802 I CA 1.593 62.940 61.300 0.077 0.000 1.382 802 I CB -0.409 37.690 38.000 0.165 0.000 1.060 802 I HN 0.209 nan 8.210 nan 0.000 0.418 803 R N 0.389 120.911 120.500 0.036 0.000 2.120 803 R HA -0.115 4.217 4.340 -0.014 0.000 0.234 803 R C 2.055 178.381 176.300 0.043 0.000 1.123 803 R CA 1.242 57.362 56.100 0.034 0.000 0.975 803 R CB -0.417 29.887 30.300 0.007 0.000 0.866 803 R HN 0.530 nan 8.270 nan 0.000 0.446 804 N N 0.651 119.368 118.700 0.028 0.000 2.109 804 N HA -0.091 4.641 4.740 -0.014 0.000 0.188 804 N C 1.972 177.532 175.510 0.084 0.000 1.034 804 N CA 1.153 54.239 53.050 0.060 0.000 0.846 804 N CB -0.062 38.435 38.487 0.017 0.000 1.010 804 N HN 0.116 nan 8.380 nan 0.000 0.425 805 I N 1.698 122.308 120.570 0.066 0.000 2.194 805 I HA -0.265 3.896 4.170 -0.014 0.000 0.246 805 I C 2.462 178.627 176.117 0.080 0.000 1.093 805 I CA 1.031 62.377 61.300 0.076 0.000 1.355 805 I CB -0.365 37.675 38.000 0.066 0.000 1.046 805 I HN 0.109 nan 8.210 nan 0.000 0.413 806 A N 0.286 123.152 122.820 0.077 0.000 2.070 806 A HA -0.158 4.154 4.320 -0.014 0.000 0.220 806 A C 2.074 179.695 177.584 0.062 0.000 1.159 806 A CA 2.035 54.110 52.037 0.062 0.000 0.656 806 A CB -0.826 18.214 19.000 0.067 0.000 0.800 806 A HN 0.546 nan 8.150 nan 0.000 0.453 807 T N -3.010 111.595 114.554 0.086 0.000 3.174 807 T HA 0.191 4.533 4.350 -0.014 0.000 0.269 807 T C 1.117 175.916 174.700 0.165 0.000 1.017 807 T CA 0.620 62.777 62.100 0.096 0.000 0.899 807 T CB -0.180 68.743 68.868 0.092 0.000 1.077 807 T HN 0.478 nan 8.240 nan 0.000 0.552 808 S N 0.078 115.889 115.700 0.185 0.000 2.593 808 S HA 0.247 4.709 4.470 -0.014 0.000 0.217 808 S C 2.171 176.919 174.600 0.247 0.000 0.966 808 S CA 0.275 58.661 58.200 0.309 0.000 0.914 808 S CB -0.608 62.732 63.200 0.235 0.000 0.776 808 S HN 0.523 nan 8.310 nan 0.000 0.523 809 G N 2.644 111.504 108.800 0.101 0.000 2.440 809 G HA2 -0.273 3.679 3.960 -0.014 0.000 0.218 809 G HA3 -0.273 3.679 3.960 -0.014 0.000 0.218 809 G C 1.316 176.175 174.900 -0.070 0.000 1.154 809 G CA 0.985 46.107 45.100 0.036 0.000 0.767 809 G HN 0.616 nan 8.290 nan 0.000 0.552 810 K N -0.190 120.051 120.400 -0.265 0.000 2.218 810 K HA -0.069 4.243 4.320 -0.014 0.000 0.205 810 K C 1.278 177.551 176.600 -0.544 0.000 1.046 810 K CA 0.953 56.929 56.287 -0.519 0.000 0.933 810 K CB -0.288 31.702 32.500 -0.851 0.000 0.728 810 K HN 0.417 nan 8.250 nan 0.000 0.454 811 F N 0.639 120.621 119.950 0.053 0.000 2.645 811 F HA 0.152 4.671 4.527 -0.014 0.000 0.300 811 F C 0.762 176.610 175.800 0.079 0.000 1.115 811 F CA -0.629 57.409 58.000 0.064 0.000 1.355 811 F CB 0.491 39.525 39.000 0.056 0.000 1.026 811 F HN -0.117 nan 8.300 nan 0.000 0.536 812 S N 0.356 116.145 115.700 0.148 0.000 2.548 812 S HA 0.054 4.516 4.470 -0.014 0.000 0.277 812 S C 1.463 176.148 174.600 0.143 0.000 1.315 812 S CA -0.152 58.130 58.200 0.137 0.000 1.050 812 S CB 0.801 64.051 63.200 0.083 0.000 0.918 812 S HN 0.354 nan 8.310 nan 0.000 0.497 813 S N 3.355 119.166 115.700 0.185 0.000 2.474 813 S HA -0.088 4.373 4.470 -0.014 0.000 0.235 813 S C 0.988 175.648 174.600 0.099 0.000 0.997 813 S CA 0.761 59.095 58.200 0.223 0.000 0.949 813 S CB -0.372 63.043 63.200 0.358 0.000 0.766 813 S HN 0.801 nan 8.310 nan 0.000 0.517 814 D N 1.912 122.354 120.400 0.069 0.000 2.117 814 D HA -0.100 4.532 4.640 -0.014 0.000 0.197 814 D C 2.092 178.398 176.300 0.010 0.000 0.987 814 D CA 0.836 54.852 54.000 0.028 0.000 0.829 814 D CB -0.339 40.475 40.800 0.022 0.000 0.961 814 D HN 0.299 nan 8.370 nan 0.000 0.460 815 R N 0.833 121.341 120.500 0.014 0.000 2.066 815 R HA -0.091 4.241 4.340 -0.014 0.000 0.232 815 R C 1.931 178.223 176.300 -0.013 0.000 1.131 815 R CA 1.445 57.539 56.100 -0.011 0.000 0.955 815 R CB -0.821 29.459 30.300 -0.034 0.000 0.851 815 R HN 0.121 nan 8.270 nan 0.000 0.432 816 T N 2.254 116.825 114.554 0.028 0.000 2.635 816 T HA -0.144 4.198 4.350 -0.014 0.000 0.267 816 T C 1.931 176.632 174.700 0.002 0.000 1.040 816 T CA 1.491 63.625 62.100 0.056 0.000 1.156 816 T CB -0.139 68.844 68.868 0.193 0.000 0.863 816 T HN 0.113 nan 8.240 nan 0.000 0.430 817 I N 1.580 122.077 120.570 -0.122 0.000 2.252 817 I HA -0.075 4.087 4.170 -0.014 0.000 0.245 817 I C 2.946 179.021 176.117 -0.071 0.000 1.102 817 I CA 0.952 62.144 61.300 -0.180 0.000 1.385 817 I CB -1.636 36.255 38.000 -0.181 0.000 1.064 817 I HN 0.198 nan 8.210 nan 0.000 0.414 818 A N 0.269 123.066 122.820 -0.039 0.000 1.940 818 A HA -0.258 4.054 4.320 -0.014 0.000 0.219 818 A C 2.252 179.794 177.584 -0.071 0.000 1.176 818 A CA 1.625 53.646 52.037 -0.028 0.000 0.631 818 A CB -0.598 18.391 19.000 -0.018 0.000 0.814 818 A HN 0.523 nan 8.150 nan 0.000 0.446 819 Q N -1.882 117.857 119.800 -0.102 0.000 2.046 819 Q HA -0.166 4.166 4.340 -0.014 0.000 0.200 819 Q C 1.965 177.789 176.000 -0.293 0.000 0.975 819 Q CA 1.659 57.359 55.803 -0.171 0.000 0.836 819 Q CB -0.331 28.298 28.738 -0.181 0.000 0.896 819 Q HN 0.816 nan 8.270 nan 0.000 0.428 820 Y N 0.647 120.653 120.300 -0.490 0.000 2.114 820 Y HA -0.320 4.222 4.550 -0.014 0.000 0.282 820 Y C 2.493 177.814 175.900 -0.964 0.000 1.165 820 Y CA 1.351 58.898 58.100 -0.922 0.000 1.148 820 Y CB -0.474 37.106 38.460 -1.466 0.000 0.972 820 Y HN 0.173 nan 8.280 nan 0.000 0.504 821 A N 0.211 122.797 122.820 -0.390 0.000 1.883 821 A HA -0.227 4.085 4.320 -0.014 0.000 0.217 821 A C 2.239 179.834 177.584 0.018 0.000 1.186 821 A CA 2.062 54.119 52.037 0.033 0.000 0.624 821 A CB -0.565 18.535 19.000 0.167 0.000 0.822 821 A HN 0.439 nan 8.150 nan 0.000 0.444 822 R N -0.721 119.750 120.500 -0.049 0.000 2.075 822 R HA -0.026 4.306 4.340 -0.014 0.000 0.226 822 R C 1.840 178.116 176.300 -0.041 0.000 1.114 822 R CA 1.486 57.572 56.100 -0.025 0.000 0.972 822 R CB -0.180 30.100 30.300 -0.032 0.000 0.869 822 R HN 0.654 nan 8.270 nan 0.000 0.437 823 E N -0.507 119.627 120.200 -0.109 0.000 2.415 823 E HA 0.093 4.435 4.350 -0.014 0.000 0.197 823 E C 1.412 177.963 176.600 -0.081 0.000 1.007 823 E CA 0.426 56.767 56.400 -0.098 0.000 0.890 823 E CB 0.546 30.161 29.700 -0.141 0.000 0.891 823 E HN 0.295 nan 8.360 nan 0.000 0.496 824 I N -1.136 119.350 120.570 -0.141 0.000 3.739 824 I HA 0.022 4.184 4.170 -0.014 0.000 0.272 824 I C 1.278 177.537 176.117 0.237 0.000 1.167 824 I CA -0.065 61.216 61.300 -0.031 0.000 1.386 824 I CB 0.264 38.100 38.000 -0.273 0.000 1.490 824 I HN 0.111 nan 8.210 nan 0.000 0.452 825 W N 1.529 122.925 121.300 0.159 0.000 2.770 825 W HA 0.333 4.985 4.660 -0.013 0.000 0.256 825 W C 1.455 178.011 176.519 0.062 0.000 1.291 825 W CA 0.740 58.160 57.345 0.126 0.000 1.396 825 W CB -1.098 28.425 29.460 0.104 0.000 1.114 825 W HN 0.306 nan 8.180 nan 0.000 0.637 826 G N 1.339 110.276 108.800 0.228 0.000 2.272 826 G HA2 -0.095 3.857 3.960 -0.014 0.000 0.280 826 G HA3 -0.095 3.857 3.960 -0.014 0.000 0.280 826 G C -0.335 174.637 174.900 0.120 0.000 1.067 826 G CA 0.278 45.454 45.100 0.126 0.000 0.902 826 G HN 0.437 nan 8.290 nan 0.000 0.500 827 V N -4.241 115.763 119.914 0.150 0.000 2.925 827 V HA 0.895 5.007 4.120 -0.014 0.000 0.311 827 V C -0.374 175.780 176.094 0.100 0.000 1.104 827 V CA -1.708 60.662 62.300 0.118 0.000 0.954 827 V CB 2.342 34.243 31.823 0.130 0.000 1.022 827 V HN 0.137 nan 8.190 nan 0.000 0.427 828 E N 3.775 124.017 120.200 0.070 0.000 2.174 828 E HA 0.510 4.852 4.350 -0.014 0.000 0.282 828 E C -2.490 174.148 176.600 0.062 0.000 0.992 828 E CA -1.788 54.646 56.400 0.057 0.000 0.803 828 E CB 1.662 31.387 29.700 0.042 0.000 1.090 828 E HN 0.719 nan 8.360 nan 0.000 0.396 829 P HA 0.051 nan 4.420 nan 0.000 0.270 829 P C -0.488 176.842 177.300 0.049 0.000 1.223 829 P CA -0.245 62.889 63.100 0.058 0.000 0.785 829 P CB 0.746 32.475 31.700 0.048 0.000 0.923 830 S N 0.899 116.629 115.700 0.051 0.000 2.619 830 S HA 0.332 4.794 4.470 -0.014 0.000 0.280 830 S C 0.418 175.043 174.600 0.042 0.000 1.150 830 S CA -0.779 57.449 58.200 0.047 0.000 0.978 830 S CB 0.982 64.217 63.200 0.059 0.000 1.041 830 S HN 0.243 nan 8.310 nan 0.000 0.485 831 R N 2.372 122.892 120.500 0.034 0.000 2.334 831 R HA 0.172 4.504 4.340 -0.014 0.000 0.220 831 R C -0.028 176.285 176.300 0.020 0.000 0.917 831 R CA 0.079 56.197 56.100 0.030 0.000 1.073 831 R CB 0.058 30.376 30.300 0.030 0.000 1.056 831 R HN 0.700 nan 8.270 nan 0.000 0.506 832 Q N 1.024 120.835 119.800 0.019 0.000 2.313 832 Q HA 0.112 4.444 4.340 -0.014 0.000 0.266 832 Q C -0.270 175.723 176.000 -0.011 0.000 0.989 832 Q CA 0.072 55.879 55.803 0.007 0.000 0.890 832 Q CB 0.809 29.555 28.738 0.014 0.000 1.200 832 Q HN -0.211 nan 8.270 nan 0.000 0.396 833 R N 1.642 122.127 120.500 -0.025 0.000 2.537 833 R HA 0.163 4.494 4.340 -0.014 0.000 0.280 833 R C -0.443 175.815 176.300 -0.071 0.000 1.058 833 R CA 0.084 56.155 56.100 -0.047 0.000 1.057 833 R CB 0.333 30.605 30.300 -0.047 0.000 0.973 833 R HN 0.501 nan 8.270 nan 0.000 0.438 834 L N 5.832 126.993 121.223 -0.103 0.000 2.395 834 L HA 0.342 4.674 4.340 -0.014 0.000 0.269 834 L C -1.658 175.153 176.870 -0.098 0.000 1.133 834 L CA -2.001 52.751 54.840 -0.148 0.000 0.812 834 L CB 0.828 42.762 42.059 -0.209 0.000 1.125 834 L HN 0.470 nan 8.230 nan 0.000 0.452 835 P HA 0.091 nan 4.420 nan 0.000 0.269 835 P C -0.773 176.500 177.300 -0.046 0.000 1.209 835 P CA -0.218 62.850 63.100 -0.053 0.000 0.776 835 P CB 0.884 32.560 31.700 -0.040 0.000 0.876 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486