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 3g2j_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.060 0.000 1.108 13 I N -0.669 119.889 120.570 -0.020 0.000 2.603 13 I HA 0.554 4.715 4.170 -0.015 0.000 0.300 13 I C 0.959 177.076 176.117 0.000 0.000 1.017 13 I CA -0.273 61.023 61.300 -0.006 0.000 1.098 13 I CB 1.982 39.982 38.000 0.000 0.000 1.279 13 I HN 0.238 nan 8.210 nan 0.000 0.437 14 S N 3.291 118.996 115.700 0.009 0.000 2.359 14 S HA -0.175 4.285 4.470 -0.015 0.000 0.223 14 S C 1.785 176.395 174.600 0.015 0.000 1.039 14 S CA 2.313 60.520 58.200 0.012 0.000 1.042 14 S CB -0.576 62.637 63.200 0.021 0.000 0.915 14 S HN 0.793 nan 8.310 nan 0.000 0.439 15 V N 0.125 120.055 119.914 0.027 0.000 2.867 15 V HA 0.045 4.156 4.120 -0.015 0.000 0.260 15 V C 2.084 178.191 176.094 0.022 0.000 1.099 15 V CA 1.597 63.915 62.300 0.031 0.000 1.122 15 V CB -1.052 30.796 31.823 0.041 0.000 0.708 15 V HN 0.388 nan 8.190 nan 0.000 0.490 16 R N 1.319 121.823 120.500 0.008 0.000 2.323 16 R HA 0.390 4.721 4.340 -0.015 0.000 0.198 16 R C 1.177 177.468 176.300 -0.015 0.000 0.988 16 R CA 0.597 56.695 56.100 -0.003 0.000 1.041 16 R CB -0.230 30.064 30.300 -0.010 0.000 0.926 16 R HN 0.792 nan 8.270 nan 0.000 0.476 17 G N 0.756 109.547 108.800 -0.016 0.000 2.685 17 G HA2 -0.235 3.716 3.960 -0.015 0.000 0.387 17 G HA3 -0.235 3.716 3.960 -0.015 0.000 0.387 17 G C -0.633 174.251 174.900 -0.027 0.000 1.324 17 G CA -1.022 44.060 45.100 -0.029 0.000 0.878 17 G HN 0.087 nan 8.290 nan 0.000 0.527 18 L N 0.136 121.340 121.223 -0.031 0.000 2.371 18 L HA 0.604 4.935 4.340 -0.015 0.000 0.272 18 L C 1.122 177.977 176.870 -0.024 0.000 1.124 18 L CA -0.115 54.710 54.840 -0.024 0.000 0.816 18 L CB 1.568 43.613 42.059 -0.023 0.000 1.129 18 L HN 1.151 nan 8.230 nan 0.000 0.448 19 A N 2.649 125.458 122.820 -0.018 0.000 3.173 19 A HA 0.530 4.841 4.320 -0.015 0.000 0.304 19 A C 0.568 178.148 177.584 -0.006 0.000 1.318 19 A CA -0.401 51.629 52.037 -0.013 0.000 1.069 19 A CB -0.386 18.607 19.000 -0.012 0.000 1.147 19 A HN 0.796 nan 8.150 nan 0.000 0.547 20 G N -0.325 108.471 108.800 -0.007 0.000 2.441 20 G HA2 0.323 4.274 3.960 -0.015 0.000 0.243 20 G HA3 0.323 4.274 3.960 -0.015 0.000 0.243 20 G C 1.109 176.012 174.900 0.006 0.000 1.281 20 G CA 0.272 45.372 45.100 -0.001 0.000 0.854 20 G HN 0.806 nan 8.290 nan 0.000 0.560 21 V N 1.672 121.590 119.914 0.008 0.000 2.324 21 V HA -0.205 3.906 4.120 -0.015 0.000 0.250 21 V C 2.434 178.537 176.094 0.015 0.000 1.060 21 V CA 2.964 65.271 62.300 0.011 0.000 1.042 21 V CB -0.360 31.469 31.823 0.010 0.000 0.650 21 V HN 0.972 nan 8.190 nan 0.000 0.450 22 E N -0.588 119.622 120.200 0.016 0.000 2.072 22 E HA -0.199 4.142 4.350 -0.015 0.000 0.190 22 E C 2.074 178.694 176.600 0.033 0.000 0.982 22 E CA 1.357 57.770 56.400 0.023 0.000 0.803 22 E CB -0.086 29.626 29.700 0.020 0.000 0.755 22 E HN 0.625 nan 8.360 nan 0.000 0.453 23 N N -0.018 118.700 118.700 0.030 0.000 2.142 23 N HA -0.129 4.601 4.740 -0.015 0.000 0.186 23 N C 1.830 177.366 175.510 0.042 0.000 1.023 23 N CA 0.949 54.023 53.050 0.039 0.000 0.852 23 N CB -0.265 38.230 38.487 0.014 0.000 0.998 23 N HN 0.029 nan 8.380 nan 0.000 0.424 24 V N 0.903 120.833 119.914 0.027 0.000 2.332 24 V HA -0.224 3.887 4.120 -0.015 0.000 0.248 24 V C 2.148 178.263 176.094 0.034 0.000 1.055 24 V CA 1.857 64.173 62.300 0.026 0.000 1.038 24 V CB -0.980 30.853 31.823 0.017 0.000 0.651 24 V HN 0.357 nan 8.190 nan 0.000 0.450 25 T N -0.709 113.865 114.554 0.033 0.000 2.746 25 T HA -0.218 4.123 4.350 -0.015 0.000 0.267 25 T C 1.931 176.663 174.700 0.054 0.000 1.039 25 T CA 1.779 63.899 62.100 0.034 0.000 1.142 25 T CB -0.194 68.690 68.868 0.027 0.000 0.866 25 T HN 0.449 nan 8.240 nan 0.000 0.444 26 E N 0.764 121.004 120.200 0.067 0.000 2.106 26 E HA 0.021 4.362 4.350 -0.015 0.000 0.192 26 E C 2.051 178.730 176.600 0.132 0.000 0.984 26 E CA 0.684 57.138 56.400 0.091 0.000 0.806 26 E CB -0.419 29.340 29.700 0.099 0.000 0.750 26 E HN 0.423 nan 8.360 nan 0.000 0.458 27 L N 0.304 121.613 121.223 0.143 0.000 2.017 27 L HA -0.207 4.124 4.340 -0.015 0.000 0.208 27 L C 2.403 179.387 176.870 0.191 0.000 1.073 27 L CA 1.459 56.410 54.840 0.186 0.000 0.745 27 L CB -0.383 41.757 42.059 0.136 0.000 0.894 27 L HN 0.074 nan 8.230 nan 0.000 0.432 28 K N 0.028 120.496 120.400 0.113 0.000 2.063 28 K HA -0.249 4.062 4.320 -0.015 0.000 0.208 28 K C 2.167 178.864 176.600 0.161 0.000 1.048 28 K CA 1.425 57.766 56.287 0.091 0.000 0.928 28 K CB -0.155 32.353 32.500 0.014 0.000 0.713 28 K HN 0.194 nan 8.250 nan 0.000 0.442 29 K N 1.013 121.488 120.400 0.125 0.000 2.009 29 K HA -0.163 4.148 4.320 -0.015 0.000 0.210 29 K C 1.789 178.474 176.600 0.142 0.000 1.049 29 K CA 1.578 57.932 56.287 0.112 0.000 0.929 29 K CB 0.004 32.550 32.500 0.077 0.000 0.714 29 K HN 0.104 nan 8.250 nan 0.000 0.440 30 N N 0.023 118.819 118.700 0.159 0.000 2.331 30 N HA -0.136 4.595 4.740 -0.015 0.000 0.180 30 N C 1.634 177.292 175.510 0.246 0.000 1.019 30 N CA 0.793 53.929 53.050 0.143 0.000 0.881 30 N CB -0.194 38.384 38.487 0.152 0.000 0.972 30 N HN 0.201 nan 8.380 nan 0.000 0.435 31 F N 2.532 122.582 119.950 0.165 0.000 2.102 31 F HA -0.120 4.398 4.527 -0.015 0.000 0.298 31 F C 1.973 177.875 175.800 0.170 0.000 1.105 31 F CA 1.292 59.404 58.000 0.187 0.000 1.239 31 F CB -0.090 38.991 39.000 0.135 0.000 0.991 31 F HN -0.038 nan 8.300 nan 0.000 0.474 32 N N 0.481 119.426 118.700 0.409 0.000 2.188 32 N HA -0.176 4.555 4.740 -0.015 0.000 0.184 32 N C 1.978 177.570 175.510 0.136 0.000 1.018 32 N CA 1.140 54.346 53.050 0.259 0.000 0.858 32 N CB -0.564 38.043 38.487 0.201 0.000 0.989 32 N HN 0.381 nan 8.380 nan 0.000 0.426 33 R N 0.346 120.924 120.500 0.131 0.000 2.070 33 R HA -0.104 4.226 4.340 -0.015 0.000 0.233 33 R C 1.816 178.196 176.300 0.132 0.000 1.137 33 R CA 1.541 57.743 56.100 0.170 0.000 0.945 33 R CB -0.262 30.080 30.300 0.069 0.000 0.845 33 R HN 0.373 nan 8.270 nan 0.000 0.430 34 H N -0.366 118.748 119.070 0.073 0.000 2.389 34 H HA -0.122 4.425 4.556 -0.015 0.000 0.299 34 H C 1.900 177.163 175.328 -0.107 0.000 1.081 34 H CA 1.421 57.444 56.048 -0.041 0.000 1.345 34 H CB 0.055 29.757 29.762 -0.101 0.000 1.393 34 H HN 0.143 nan 8.280 nan 0.000 0.520 35 L N -0.040 121.167 121.223 -0.027 0.000 2.079 35 L HA -0.197 4.134 4.340 -0.015 0.000 0.210 35 L C 2.177 179.029 176.870 -0.030 0.000 1.081 35 L CA 1.873 56.672 54.840 -0.068 0.000 0.752 35 L CB -0.376 41.659 42.059 -0.040 0.000 0.896 35 L HN 0.308 nan 8.230 nan 0.000 0.433 36 H N -1.925 117.061 119.070 -0.139 0.000 2.306 36 H HA -0.017 4.530 4.556 -0.015 0.000 0.307 36 H C 1.769 176.898 175.328 -0.332 0.000 1.061 36 H CA 2.059 57.928 56.048 -0.298 0.000 1.359 36 H CB -0.226 29.247 29.762 -0.481 0.000 1.407 36 H HN 0.271 nan 8.280 nan 0.000 0.517 37 F N -0.328 119.603 119.950 -0.033 0.000 2.234 37 F HA -0.006 4.512 4.527 -0.015 0.000 0.296 37 F C 2.562 178.286 175.800 -0.128 0.000 1.089 37 F CA 1.391 59.327 58.000 -0.107 0.000 1.343 37 F CB -0.422 38.551 39.000 -0.044 0.000 1.040 37 F HN 0.174 nan 8.300 nan 0.000 0.498 38 T N -0.069 114.519 114.554 0.056 0.000 2.901 38 T HA 0.062 4.403 4.350 -0.015 0.000 0.252 38 T C 2.000 176.611 174.700 -0.148 0.000 1.035 38 T CA 0.839 62.898 62.100 -0.069 0.000 1.142 38 T CB -0.326 68.466 68.868 -0.126 0.000 0.869 38 T HN 0.099 nan 8.240 nan 0.000 0.442 39 L N 1.214 122.352 121.223 -0.141 0.000 2.446 39 L HA 0.178 4.509 4.340 -0.015 0.000 0.219 39 L C 0.340 177.121 176.870 -0.149 0.000 1.116 39 L CA -0.062 54.684 54.840 -0.157 0.000 0.844 39 L CB -0.074 41.903 42.059 -0.138 0.000 0.970 39 L HN -0.009 nan 8.230 nan 0.000 0.457 40 V N 0.595 120.406 119.914 -0.171 0.000 5.949 40 V HA -0.273 3.838 4.120 -0.015 0.000 0.287 40 V C -0.141 175.850 176.094 -0.171 0.000 0.603 40 V CA 1.051 63.224 62.300 -0.211 0.000 0.608 40 V CB -2.169 29.555 31.823 -0.166 0.000 0.259 40 V HN 0.402 nan 8.190 nan 0.000 0.742 41 K N 0.972 121.279 120.400 -0.155 0.000 2.469 41 K HA 0.599 4.910 4.320 -0.015 0.000 0.254 41 K C -0.316 176.260 176.600 -0.040 0.000 0.939 41 K CA -0.587 55.644 56.287 -0.094 0.000 0.812 41 K CB 2.762 35.208 32.500 -0.091 0.000 1.301 41 K HN 0.578 nan 8.250 nan 0.000 0.433 42 D N -0.793 119.602 120.400 -0.009 0.000 2.332 42 D HA 0.163 4.794 4.640 -0.015 0.000 0.252 42 D C 0.793 177.125 176.300 0.053 0.000 1.050 42 D CA -0.730 53.296 54.000 0.042 0.000 0.970 42 D CB 0.872 41.694 40.800 0.036 0.000 1.141 42 D HN 0.489 nan 8.370 nan 0.000 0.485 43 R N 0.502 121.061 120.500 0.099 0.000 2.323 43 R HA 0.058 4.389 4.340 -0.015 0.000 0.198 43 R C 0.187 176.561 176.300 0.123 0.000 0.988 43 R CA 0.086 56.282 56.100 0.160 0.000 1.041 43 R CB -0.480 29.960 30.300 0.234 0.000 0.926 43 R HN 0.261 nan 8.270 nan 0.000 0.476 44 N N 0.634 119.376 118.700 0.070 0.000 2.409 44 N HA -0.079 4.652 4.740 -0.015 0.000 0.179 44 N C 1.341 176.873 175.510 0.036 0.000 1.032 44 N CA 0.910 53.992 53.050 0.052 0.000 0.898 44 N CB 0.558 39.065 38.487 0.033 0.000 0.971 44 N HN 0.169 nan 8.380 nan 0.000 0.441 45 V N -0.048 119.876 119.914 0.016 0.000 3.604 45 V HA 0.399 4.509 4.120 -0.015 0.000 0.277 45 V C 0.339 176.403 176.094 -0.050 0.000 1.399 45 V CA -0.130 62.164 62.300 -0.010 0.000 1.034 45 V CB -0.040 31.773 31.823 -0.017 0.000 0.824 45 V HN 0.121 nan 8.190 nan 0.000 0.439 46 A N 1.479 124.248 122.820 -0.085 0.000 2.511 46 A HA 0.498 4.809 4.320 -0.015 0.000 0.242 46 A C 0.700 178.091 177.584 -0.321 0.000 1.069 46 A CA 0.825 52.702 52.037 -0.268 0.000 0.763 46 A CB -0.158 18.582 19.000 -0.433 0.000 1.001 46 A HN 0.687 nan 8.150 nan 0.000 0.498 47 T N 0.331 114.693 114.554 -0.320 0.000 2.936 47 T HA 0.566 4.907 4.350 -0.015 0.000 0.282 47 T C -2.108 172.458 174.700 -0.224 0.000 1.003 47 T CA -1.773 60.219 62.100 -0.179 0.000 1.005 47 T CB 1.179 70.005 68.868 -0.068 0.000 1.097 47 T HN 0.260 nan 8.240 nan 0.000 0.532 48 P HA -0.124 nan 4.420 nan 0.000 0.216 48 P C 1.613 179.017 177.300 0.173 0.000 1.150 48 P CA 1.013 64.246 63.100 0.222 0.000 0.843 48 P CB 0.047 31.849 31.700 0.170 0.000 0.787 49 R N 0.047 120.595 120.500 0.081 0.000 2.081 49 R HA -0.148 4.183 4.340 -0.015 0.000 0.235 49 R C 1.700 178.169 176.300 0.281 0.000 1.131 49 R CA 1.854 58.043 56.100 0.148 0.000 0.960 49 R CB -0.722 29.598 30.300 0.033 0.000 0.856 49 R HN 0.106 nan 8.270 nan 0.000 0.436 50 D N -0.327 120.118 120.400 0.075 0.000 2.123 50 D HA -0.202 4.428 4.640 -0.015 0.000 0.196 50 D C 1.768 178.090 176.300 0.037 0.000 0.992 50 D CA 1.381 55.380 54.000 -0.001 0.000 0.833 50 D CB -0.324 40.336 40.800 -0.234 0.000 0.954 50 D HN 0.311 nan 8.370 nan 0.000 0.455 51 Y N 0.215 120.624 120.300 0.180 0.000 2.163 51 Y HA -0.209 4.332 4.550 -0.015 0.000 0.288 51 Y C 2.368 178.399 175.900 0.219 0.000 1.136 51 Y CA 0.317 58.569 58.100 0.254 0.000 1.147 51 Y CB -1.319 37.350 38.460 0.347 0.000 0.987 51 Y HN 0.068 nan 8.280 nan 0.000 0.509 52 Y N -0.303 120.140 120.300 0.239 0.000 2.102 52 Y HA -0.339 4.202 4.550 -0.015 0.000 0.280 52 Y C 2.055 177.927 175.900 -0.046 0.000 1.178 52 Y CA 1.511 59.644 58.100 0.055 0.000 1.146 52 Y CB -1.191 37.199 38.460 -0.116 0.000 0.968 52 Y HN 0.067 nan 8.280 nan 0.000 0.504 53 F N -0.023 119.713 119.950 -0.356 0.000 2.186 53 F HA -0.123 4.395 4.527 -0.015 0.000 0.299 53 F C 2.637 178.249 175.800 -0.312 0.000 1.090 53 F CA 1.206 58.927 58.000 -0.465 0.000 1.307 53 F CB -0.763 38.148 39.000 -0.148 0.000 1.019 53 F HN 0.205 nan 8.300 nan 0.000 0.489 54 A N -0.155 122.596 122.820 -0.115 0.000 1.902 54 A HA -0.184 4.127 4.320 -0.015 0.000 0.217 54 A C 2.046 179.476 177.584 -0.256 0.000 1.181 54 A CA 1.551 53.387 52.037 -0.335 0.000 0.623 54 A CB -1.009 17.442 19.000 -0.915 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.443 55 L N -0.166 121.014 121.223 -0.071 0.000 2.017 55 L HA -0.049 4.282 4.340 -0.015 0.000 0.208 55 L C 2.700 179.544 176.870 -0.044 0.000 1.073 55 L CA 2.234 57.169 54.840 0.159 0.000 0.745 55 L CB -0.970 41.260 42.059 0.285 0.000 0.894 55 L HN 0.350 nan 8.230 nan 0.000 0.432 56 A N -1.108 121.500 122.820 -0.352 0.000 1.892 56 A HA -0.321 3.990 4.320 -0.015 0.000 0.218 56 A C 2.174 179.402 177.584 -0.593 0.000 1.188 56 A CA 2.241 53.937 52.037 -0.569 0.000 0.631 56 A CB -1.223 17.075 19.000 -1.171 0.000 0.822 56 A HN 0.705 nan 8.150 nan 0.000 0.447 57 H N -1.023 117.732 119.070 -0.525 0.000 2.423 57 H HA -0.049 4.498 4.556 -0.015 0.000 0.297 57 H C 2.357 177.414 175.328 -0.451 0.000 1.075 57 H CA 1.863 57.524 56.048 -0.645 0.000 1.342 57 H CB -0.118 29.007 29.762 -1.062 0.000 1.395 57 H HN 0.481 nan 8.280 nan 0.000 0.530 58 T N -0.293 114.226 114.554 -0.058 0.000 2.708 58 T HA -0.138 4.203 4.350 -0.015 0.000 0.266 58 T C 2.259 177.136 174.700 0.295 0.000 1.037 58 T CA 1.379 63.628 62.100 0.248 0.000 1.146 58 T CB -0.387 68.681 68.868 0.334 0.000 0.865 58 T HN 0.096 nan 8.240 nan 0.000 0.435 59 V N 1.581 121.640 119.914 0.242 0.000 2.358 59 V HA -0.134 3.977 4.120 -0.015 0.000 0.246 59 V C 2.610 178.893 176.094 0.315 0.000 1.047 59 V CA 1.598 64.083 62.300 0.308 0.000 1.035 59 V CB -0.649 31.340 31.823 0.276 0.000 0.658 59 V HN 0.369 nan 8.190 nan 0.000 0.452 60 R N 0.181 120.817 120.500 0.226 0.000 2.105 60 R HA -0.222 4.109 4.340 -0.015 0.000 0.239 60 R C 1.971 178.375 176.300 0.173 0.000 1.135 60 R CA 2.042 58.267 56.100 0.209 0.000 0.967 60 R CB -0.424 29.861 30.300 -0.025 0.000 0.861 60 R HN 0.483 nan 8.270 nan 0.000 0.442 61 D N -0.166 120.319 120.400 0.142 0.000 2.158 61 D HA -0.180 4.451 4.640 -0.015 0.000 0.197 61 D C 1.741 178.039 176.300 -0.004 0.000 0.995 61 D CA 1.194 55.238 54.000 0.073 0.000 0.846 61 D CB -0.382 40.445 40.800 0.045 0.000 0.941 61 D HN 0.468 nan 8.370 nan 0.000 0.456 62 H N -0.313 118.824 119.070 0.112 0.000 2.495 62 H HA 0.037 4.584 4.556 -0.015 0.000 0.287 62 H C 2.289 177.659 175.328 0.070 0.000 1.033 62 H CA 0.381 56.477 56.048 0.080 0.000 1.307 62 H CB 0.218 30.018 29.762 0.064 0.000 1.401 62 H HN 0.202 nan 8.280 nan 0.000 0.555 63 L N 0.617 121.950 121.223 0.183 0.000 2.072 63 L HA -0.123 4.208 4.340 -0.015 0.000 0.205 63 L C 2.824 179.805 176.870 0.186 0.000 1.079 63 L CA 0.702 55.617 54.840 0.124 0.000 0.752 63 L CB -0.254 41.843 42.059 0.064 0.000 0.906 63 L HN 0.129 nan 8.230 nan 0.000 0.436 64 V N -2.377 117.670 119.914 0.221 0.000 2.407 64 V HA -0.110 4.001 4.120 -0.015 0.000 0.248 64 V C 2.295 178.504 176.094 0.191 0.000 1.055 64 V CA 1.906 64.378 62.300 0.287 0.000 1.049 64 V CB -1.686 30.268 31.823 0.217 0.000 0.662 64 V HN 0.376 nan 8.190 nan 0.000 0.455 65 G N 0.464 109.333 108.800 0.114 0.000 2.459 65 G HA2 -0.249 3.702 3.960 -0.015 0.000 0.217 65 G HA3 -0.249 3.702 3.960 -0.015 0.000 0.217 65 G C 1.753 176.698 174.900 0.074 0.000 1.183 65 G CA 1.040 46.180 45.100 0.068 0.000 0.776 65 G HN 0.539 nan 8.290 nan 0.000 0.552 66 R N -1.438 119.115 120.500 0.088 0.000 2.096 66 R HA -0.077 4.254 4.340 -0.015 0.000 0.235 66 R C 2.265 178.639 176.300 0.124 0.000 1.127 66 R CA 1.189 57.328 56.100 0.065 0.000 0.968 66 R CB -0.370 29.953 30.300 0.037 0.000 0.861 66 R HN 0.487 nan 8.270 nan 0.000 0.440 67 W N 1.564 122.838 121.300 -0.044 0.000 2.354 67 W HA -0.078 4.573 4.660 -0.015 0.000 0.315 67 W C 1.730 178.212 176.519 -0.062 0.000 1.206 67 W CA 0.940 58.254 57.345 -0.052 0.000 1.290 67 W CB -0.643 28.805 29.460 -0.020 0.000 1.152 67 W HN -0.044 nan 8.180 nan 0.000 0.489 68 I N 1.065 121.673 120.570 0.063 0.000 2.226 68 I HA -0.358 3.802 4.170 -0.015 0.000 0.245 68 I C 2.720 178.808 176.117 -0.048 0.000 1.100 68 I CA 2.087 63.341 61.300 -0.077 0.000 1.374 68 I CB -0.632 37.331 38.000 -0.061 0.000 1.057 68 I HN 0.005 nan 8.210 nan 0.000 0.413 69 R N 0.322 120.813 120.500 -0.015 0.000 2.115 69 R HA -0.062 4.269 4.340 -0.015 0.000 0.226 69 R C 1.969 178.227 176.300 -0.070 0.000 1.100 69 R CA 1.612 57.695 56.100 -0.028 0.000 0.980 69 R CB -1.232 29.055 30.300 -0.022 0.000 0.875 69 R HN 0.173 nan 8.270 nan 0.000 0.445 70 T N 1.703 116.189 114.554 -0.113 0.000 2.674 70 T HA -0.112 4.229 4.350 -0.015 0.000 0.265 70 T C 1.849 176.252 174.700 -0.495 0.000 1.039 70 T CA 1.428 63.343 62.100 -0.309 0.000 1.150 70 T CB -0.146 68.576 68.868 -0.244 0.000 0.864 70 T HN 0.247 nan 8.240 nan 0.000 0.427 71 Q N 0.745 120.406 119.800 -0.233 0.000 2.167 71 Q HA -0.081 4.249 4.340 -0.015 0.000 0.202 71 Q C 2.336 178.338 176.000 0.005 0.000 0.970 71 Q CA 1.236 56.984 55.803 -0.092 0.000 0.855 71 Q CB -0.470 28.242 28.738 -0.043 0.000 0.911 71 Q HN 0.519 nan 8.270 nan 0.000 0.438 72 Q N 0.207 119.998 119.800 -0.014 0.000 2.050 72 Q HA -0.193 4.138 4.340 -0.015 0.000 0.202 72 Q C 1.937 178.015 176.000 0.130 0.000 0.980 72 Q CA 1.971 57.812 55.803 0.063 0.000 0.840 72 Q CB -0.417 28.341 28.738 0.033 0.000 0.898 72 Q HN 0.549 nan 8.270 nan 0.000 0.424 73 H N -1.005 118.035 119.070 -0.049 0.000 2.353 73 H HA -0.192 4.355 4.556 -0.015 0.000 0.298 73 H C 1.194 176.589 175.328 0.112 0.000 1.103 73 H CA 2.303 58.336 56.048 -0.024 0.000 1.293 73 H CB -0.268 29.416 29.762 -0.130 0.000 1.372 73 H HN 0.375 nan 8.280 nan 0.000 0.501 74 Y N -1.136 119.208 120.300 0.073 0.000 2.242 74 Y HA -0.174 4.366 4.550 -0.016 0.000 0.291 74 Y C 2.415 178.347 175.900 0.054 0.000 1.137 74 Y CA 1.019 59.136 58.100 0.028 0.000 1.181 74 Y CB -1.348 37.183 38.460 0.119 0.000 0.989 74 Y HN 0.352 nan 8.280 nan 0.000 0.527 75 Y N 1.250 121.636 120.300 0.144 0.000 2.181 75 Y HA -0.182 4.359 4.550 -0.015 0.000 0.288 75 Y C 2.129 178.039 175.900 0.017 0.000 1.146 75 Y CA 1.696 59.841 58.100 0.074 0.000 1.164 75 Y CB -0.028 38.466 38.460 0.057 0.000 0.982 75 Y HN 0.015 nan 8.280 nan 0.000 0.515 76 E N 0.394 120.600 120.200 0.010 0.000 2.046 76 E HA -0.141 4.200 4.350 -0.015 0.000 0.190 76 E C 1.918 178.429 176.600 -0.148 0.000 0.982 76 E CA 1.320 57.666 56.400 -0.091 0.000 0.800 76 E CB -0.251 29.443 29.700 -0.010 0.000 0.756 76 E HN 0.503 nan 8.360 nan 0.000 0.449 77 K N 0.799 121.091 120.400 -0.179 0.000 2.418 77 K HA -0.051 4.259 4.320 -0.015 0.000 0.195 77 K C -0.057 176.476 176.600 -0.113 0.000 1.035 77 K CA 0.271 56.454 56.287 -0.174 0.000 1.003 77 K CB 0.056 32.380 32.500 -0.294 0.000 0.793 77 K HN -0.025 nan 8.250 nan 0.000 0.494 78 D N 1.574 121.915 120.400 -0.097 0.000 2.755 78 D HA -0.109 4.521 4.640 -0.015 0.000 0.227 78 D C -2.348 173.920 176.300 -0.053 0.000 1.211 78 D CA 0.129 54.084 54.000 -0.074 0.000 0.663 78 D CB -0.064 40.666 40.800 -0.117 0.000 0.983 78 D HN 0.192 nan 8.370 nan 0.000 0.407 79 P HA 0.082 nan 4.420 nan 0.000 0.276 79 P C -0.110 177.150 177.300 -0.067 0.000 1.261 79 P CA -0.580 62.483 63.100 -0.061 0.000 0.800 79 P CB 0.604 32.253 31.700 -0.085 0.000 1.066 80 K N 1.129 121.495 120.400 -0.058 0.000 2.451 80 K HA 0.030 4.341 4.320 -0.015 0.000 0.280 80 K C -0.028 176.493 176.600 -0.132 0.000 1.020 80 K CA 0.097 56.345 56.287 -0.065 0.000 1.008 80 K CB 0.176 32.656 32.500 -0.033 0.000 0.917 80 K HN 0.258 nan 8.250 nan 0.000 0.478 81 R N 3.657 124.069 120.500 -0.147 0.000 2.368 81 R HA 0.346 4.677 4.340 -0.015 0.000 0.302 81 R C -0.567 175.481 176.300 -0.419 0.000 1.002 81 R CA -0.526 55.408 56.100 -0.276 0.000 0.929 81 R CB 0.866 31.025 30.300 -0.235 0.000 1.073 81 R HN 0.496 nan 8.270 nan 0.000 0.464 82 I N 4.261 124.510 120.570 -0.535 0.000 2.339 82 I HA 0.212 4.373 4.170 -0.015 0.000 0.290 82 I C -0.686 175.115 176.117 -0.528 0.000 0.994 82 I CA -0.812 60.121 61.300 -0.611 0.000 1.191 82 I CB 0.837 38.329 38.000 -0.847 0.000 1.343 82 I HN 0.541 nan 8.210 nan 0.000 0.458 83 Y N 5.893 126.154 120.300 -0.064 0.000 2.402 83 Y HA 0.286 4.827 4.550 -0.015 0.000 0.332 83 Y C -0.261 175.734 175.900 0.160 0.000 0.960 83 Y CA -0.703 57.475 58.100 0.130 0.000 1.228 83 Y CB 1.047 39.528 38.460 0.034 0.000 1.120 83 Y HN 0.409 nan 8.280 nan 0.000 0.491 84 Y N 4.538 125.012 120.300 0.290 0.000 2.518 84 Y HA 0.458 4.999 4.550 -0.015 0.000 0.344 84 Y C -1.181 174.993 175.900 0.457 0.000 0.982 84 Y CA -0.879 57.410 58.100 0.315 0.000 1.234 84 Y CB 0.269 38.917 38.460 0.313 0.000 1.114 84 Y HN 0.516 nan 8.280 nan 0.000 0.515 85 L N 5.134 126.420 121.223 0.105 0.000 2.265 85 L HA 0.458 4.789 4.340 -0.015 0.000 0.288 85 L C -0.236 176.658 176.870 0.041 0.000 1.058 85 L CA 0.182 55.139 54.840 0.195 0.000 0.809 85 L CB 1.245 43.383 42.059 0.131 0.000 1.179 85 L HN 0.574 nan 8.230 nan 0.000 0.429 86 S N 2.501 118.305 115.700 0.173 0.000 2.541 86 S HA 0.493 4.954 4.470 -0.015 0.000 0.271 86 S C 0.311 174.986 174.600 0.126 0.000 1.133 86 S CA -0.523 57.663 58.200 -0.025 0.000 0.876 86 S CB 1.088 64.029 63.200 -0.431 0.000 1.105 86 S HN 0.471 nan 8.310 nan 0.000 0.470 87 L N 2.733 124.076 121.223 0.200 0.000 2.554 87 L HA 0.424 4.755 4.340 -0.015 0.000 0.226 87 L C 0.325 177.390 176.870 0.325 0.000 1.137 87 L CA 1.062 56.090 54.840 0.314 0.000 0.863 87 L CB -0.074 42.191 42.059 0.343 0.000 0.985 87 L HN 0.650 nan 8.230 nan 0.000 0.451 88 E N -1.243 119.010 120.200 0.089 0.000 2.275 88 E HA 0.396 4.737 4.350 -0.015 0.000 0.270 88 E C -1.390 175.069 176.600 -0.234 0.000 0.882 88 E CA -0.418 56.018 56.400 0.061 0.000 0.758 88 E CB 1.785 31.512 29.700 0.044 0.000 1.195 88 E HN -0.157 nan 8.360 nan 0.000 0.419 89 F N 2.225 122.283 119.950 0.181 0.000 2.716 89 F HA 0.182 4.700 4.527 -0.016 0.000 0.354 89 F C -0.814 175.065 175.800 0.132 0.000 1.168 89 F CA -0.808 57.282 58.000 0.151 0.000 1.045 89 F CB 1.021 40.100 39.000 0.132 0.000 1.311 89 F HN 0.487 nan 8.300 nan 0.000 0.477 90 Y N 5.387 125.761 120.300 0.123 0.000 2.714 90 Y HA 0.244 4.785 4.550 -0.015 0.000 0.333 90 Y C 0.905 176.819 175.900 0.023 0.000 1.220 90 Y CA -1.157 56.963 58.100 0.032 0.000 1.513 90 Y CB 0.328 38.790 38.460 0.003 0.000 1.435 90 Y HN 0.562 nan 8.280 nan 0.000 0.489 91 M N 1.407 121.150 119.600 0.238 0.000 2.236 91 M HA 0.105 4.576 4.480 -0.015 0.000 0.266 91 M C 1.575 177.855 176.300 -0.034 0.000 1.070 91 M CA 1.159 56.498 55.300 0.064 0.000 1.137 91 M CB -1.226 31.382 32.600 0.012 0.000 1.378 91 M HN 0.691 nan 8.290 nan 0.000 0.426 92 G N 1.058 109.861 108.800 0.005 0.000 2.562 92 G HA2 -0.270 3.681 3.960 -0.015 0.000 0.250 92 G HA3 -0.270 3.681 3.960 -0.015 0.000 0.250 92 G C -0.248 174.609 174.900 -0.070 0.000 1.269 92 G CA -0.283 44.773 45.100 -0.072 0.000 0.919 92 G HN 0.432 nan 8.290 nan 0.000 0.574 93 R N -0.694 119.742 120.500 -0.108 0.000 2.582 93 R HA 0.565 4.896 4.340 -0.015 0.000 0.271 93 R C 1.093 177.273 176.300 -0.200 0.000 1.078 93 R CA 0.406 56.451 56.100 -0.092 0.000 1.127 93 R CB 0.658 30.909 30.300 -0.082 0.000 1.038 93 R HN 0.532 nan 8.270 nan 0.000 0.500 94 T N 1.080 115.465 114.554 -0.282 0.000 2.969 94 T HA 0.000 4.341 4.350 -0.015 0.000 0.250 94 T C 1.386 175.688 174.700 -0.663 0.000 1.021 94 T CA -0.176 61.535 62.100 -0.647 0.000 1.003 94 T CB 0.149 68.249 68.868 -1.280 0.000 1.040 94 T HN 0.310 nan 8.240 nan 0.000 0.492 95 L N 1.971 123.040 121.223 -0.256 0.000 1.955 95 L HA -0.024 4.307 4.340 -0.015 0.000 0.213 95 L C 2.487 179.321 176.870 -0.060 0.000 1.072 95 L CA 2.025 56.877 54.840 0.020 0.000 0.755 95 L CB -0.668 41.620 42.059 0.382 0.000 0.888 95 L HN 0.172 nan 8.230 nan 0.000 0.432 96 Q N -0.755 119.012 119.800 -0.056 0.000 2.084 96 Q HA -0.258 4.073 4.340 -0.015 0.000 0.202 96 Q C 2.217 178.142 176.000 -0.125 0.000 0.978 96 Q CA 1.884 57.644 55.803 -0.071 0.000 0.844 96 Q CB -0.320 28.373 28.738 -0.075 0.000 0.898 96 Q HN 0.701 nan 8.270 nan 0.000 0.426 97 N N -0.991 117.593 118.700 -0.193 0.000 2.120 97 N HA -0.144 4.587 4.740 -0.015 0.000 0.188 97 N C 1.361 176.757 175.510 -0.190 0.000 1.024 97 N CA 1.809 54.733 53.050 -0.210 0.000 0.852 97 N CB 0.057 38.383 38.487 -0.268 0.000 1.003 97 N HN 0.218 nan 8.380 nan 0.000 0.424 98 T N 1.333 115.737 114.554 -0.249 0.000 2.777 98 T HA -0.054 4.287 4.350 -0.015 0.000 0.266 98 T C 2.093 176.727 174.700 -0.111 0.000 1.040 98 T CA 1.044 63.015 62.100 -0.214 0.000 1.141 98 T CB -0.074 68.611 68.868 -0.306 0.000 0.868 98 T HN 0.251 nan 8.240 nan 0.000 0.444 99 M N 0.626 120.179 119.600 -0.078 0.000 2.080 99 M HA -0.112 4.358 4.480 -0.015 0.000 0.260 99 M C 2.504 178.770 176.300 -0.056 0.000 1.068 99 M CA 1.382 56.652 55.300 -0.050 0.000 1.109 99 M CB -0.745 31.841 32.600 -0.022 0.000 1.342 99 M HN 0.092 nan 8.290 nan 0.000 0.405 100 V N 0.990 120.875 119.914 -0.047 0.000 2.282 100 V HA -0.301 3.810 4.120 -0.015 0.000 0.249 100 V C 1.787 177.894 176.094 0.022 0.000 1.057 100 V CA 2.160 64.458 62.300 -0.003 0.000 1.032 100 V CB -0.925 30.895 31.823 -0.006 0.000 0.645 100 V HN 0.483 nan 8.190 nan 0.000 0.447 101 N N -0.549 118.148 118.700 -0.005 0.000 2.396 101 N HA -0.037 4.694 4.740 -0.015 0.000 0.180 101 N C 1.100 176.520 175.510 -0.150 0.000 1.028 101 N CA 0.664 53.699 53.050 -0.024 0.000 0.893 101 N CB -0.107 38.367 38.487 -0.021 0.000 0.967 101 N HN 0.283 nan 8.380 nan 0.000 0.440 102 L N -0.229 120.921 121.223 -0.121 0.000 2.607 102 L HA 0.399 4.730 4.340 -0.015 0.000 0.228 102 L C 0.550 177.337 176.870 -0.138 0.000 1.123 102 L CA -0.173 54.592 54.840 -0.124 0.000 0.890 102 L CB -0.753 41.254 42.059 -0.087 0.000 1.103 102 L HN 0.112 nan 8.230 nan 0.000 0.468 103 A N -0.525 122.213 122.820 -0.137 0.000 2.846 103 A HA -0.223 4.088 4.320 -0.015 0.000 0.287 103 A C 1.138 178.664 177.584 -0.098 0.000 1.469 103 A CA 1.133 53.100 52.037 -0.117 0.000 0.757 103 A CB -2.031 16.885 19.000 -0.140 0.000 1.033 103 A HN 0.323 nan 8.150 nan 0.000 0.516 104 L N -1.540 119.626 121.223 -0.095 0.000 2.766 104 L HA 0.162 4.492 4.340 -0.015 0.000 0.242 104 L C 1.978 178.813 176.870 -0.058 0.000 1.136 104 L CA 0.682 55.462 54.840 -0.101 0.000 0.933 104 L CB 0.069 42.040 42.059 -0.147 0.000 1.241 104 L HN 0.638 nan 8.230 nan 0.000 0.522 105 E N 0.704 120.879 120.200 -0.042 0.000 2.058 105 E HA -0.230 4.111 4.350 -0.015 0.000 0.194 105 E C 1.604 178.192 176.600 -0.019 0.000 0.997 105 E CA 1.306 57.692 56.400 -0.023 0.000 0.801 105 E CB 0.264 29.952 29.700 -0.021 0.000 0.746 105 E HN 0.417 nan 8.360 nan 0.000 0.450 106 N N 0.079 118.764 118.700 -0.025 0.000 2.142 106 N HA -0.104 4.626 4.740 -0.015 0.000 0.186 106 N C 1.589 177.087 175.510 -0.020 0.000 1.023 106 N CA 1.207 54.243 53.050 -0.024 0.000 0.852 106 N CB -0.386 38.086 38.487 -0.025 0.000 0.998 106 N HN 0.181 nan 8.380 nan 0.000 0.424 107 A N 0.572 123.378 122.820 -0.024 0.000 1.883 107 A HA -0.169 4.141 4.320 -0.015 0.000 0.217 107 A C 2.681 180.262 177.584 -0.005 0.000 1.186 107 A CA 1.520 53.546 52.037 -0.018 0.000 0.624 107 A CB -1.111 17.868 19.000 -0.035 0.000 0.822 107 A HN 0.450 nan 8.150 nan 0.000 0.444 108 C N -0.864 118.433 119.300 -0.004 0.000 2.425 108 C HA -0.080 4.370 4.460 -0.015 0.000 0.277 108 C C 2.482 177.482 174.990 0.016 0.000 1.280 108 C CA 1.164 60.193 59.018 0.019 0.000 1.744 108 C CB -1.195 26.568 27.740 0.038 0.000 1.989 108 C HN 0.699 nan 8.230 nan 0.000 0.491 109 D N 0.604 121.010 120.400 0.010 0.000 2.117 109 D HA -0.139 4.492 4.640 -0.015 0.000 0.197 109 D C 2.134 178.452 176.300 0.029 0.000 0.987 109 D CA 1.454 55.461 54.000 0.011 0.000 0.829 109 D CB -0.258 40.535 40.800 -0.011 0.000 0.961 109 D HN 0.451 nan 8.370 nan 0.000 0.460 110 E N 0.190 120.403 120.200 0.021 0.000 2.047 110 E HA -0.046 4.295 4.350 -0.015 0.000 0.191 110 E C 1.887 178.525 176.600 0.062 0.000 0.987 110 E CA 1.564 57.997 56.400 0.055 0.000 0.799 110 E CB -0.583 29.133 29.700 0.027 0.000 0.752 110 E HN 0.213 nan 8.360 nan 0.000 0.449 111 A N -0.158 122.669 122.820 0.011 0.000 1.908 111 A HA -0.206 4.104 4.320 -0.015 0.000 0.218 111 A C 2.474 179.988 177.584 -0.117 0.000 1.181 111 A CA 2.813 54.830 52.037 -0.034 0.000 0.627 111 A CB -1.374 17.615 19.000 -0.018 0.000 0.818 111 A HN 0.511 nan 8.150 nan 0.000 0.445 112 T N -3.775 110.711 114.554 -0.113 0.000 2.857 112 T HA -0.185 4.156 4.350 -0.015 0.000 0.266 112 T C 1.864 176.487 174.700 -0.128 0.000 1.048 112 T CA 1.434 63.409 62.100 -0.208 0.000 1.139 112 T CB -0.604 68.187 68.868 -0.129 0.000 0.874 112 T HN 0.445 nan 8.240 nan 0.000 0.455 113 Y N 2.255 122.477 120.300 -0.130 0.000 2.165 113 Y HA -0.127 4.414 4.550 -0.014 0.000 0.286 113 Y C 2.605 178.441 175.900 -0.107 0.000 1.155 113 Y CA 1.598 59.638 58.100 -0.100 0.000 1.164 113 Y CB -0.543 37.879 38.460 -0.064 0.000 0.978 113 Y HN 0.256 nan 8.280 nan 0.000 0.513 114 Q N -0.992 118.712 119.800 -0.160 0.000 2.224 114 Q HA -0.118 4.213 4.340 -0.015 0.000 0.203 114 Q C 1.555 177.409 176.000 -0.243 0.000 0.970 114 Q CA 0.898 56.567 55.803 -0.222 0.000 0.865 114 Q CB -0.070 28.617 28.738 -0.085 0.000 0.922 114 Q HN 0.349 nan 8.270 nan 0.000 0.445 115 L N -0.808 120.256 121.223 -0.264 0.000 2.599 115 L HA 0.123 4.454 4.340 -0.015 0.000 0.230 115 L C 1.076 177.766 176.870 -0.300 0.000 1.141 115 L CA 1.236 55.898 54.840 -0.297 0.000 0.877 115 L CB -0.495 41.288 42.059 -0.459 0.000 1.009 115 L HN 0.320 nan 8.230 nan 0.000 0.447 116 G N -0.109 108.505 108.800 -0.310 0.000 2.182 116 G HA2 -0.241 3.710 3.960 -0.015 0.000 0.248 116 G HA3 -0.241 3.710 3.960 -0.015 0.000 0.248 116 G C 0.002 174.770 174.900 -0.221 0.000 1.042 116 G CA 0.224 45.160 45.100 -0.274 0.000 0.775 116 G HN 0.280 nan 8.290 nan 0.000 0.501 117 L N -0.403 120.695 121.223 -0.209 0.000 2.354 117 L HA 0.618 4.949 4.340 -0.015 0.000 0.269 117 L C -0.646 176.209 176.870 -0.026 0.000 1.005 117 L CA -1.196 53.553 54.840 -0.151 0.000 0.819 117 L CB 1.971 43.876 42.059 -0.257 0.000 1.311 117 L HN 0.095 nan 8.230 nan 0.000 0.423 118 D N 1.926 122.337 120.400 0.018 0.000 2.359 118 D HA 0.202 4.833 4.640 -0.015 0.000 0.230 118 D C 0.601 176.936 176.300 0.059 0.000 1.118 118 D CA -0.240 53.794 54.000 0.056 0.000 0.844 118 D CB 1.564 42.399 40.800 0.059 0.000 1.059 118 D HN 0.497 nan 8.370 nan 0.000 0.493 119 M N 3.073 122.707 119.600 0.058 0.000 2.159 119 M HA -0.139 4.332 4.480 -0.015 0.000 0.263 119 M C 1.430 177.774 176.300 0.073 0.000 1.063 119 M CA 1.474 56.818 55.300 0.072 0.000 1.110 119 M CB 0.188 32.823 32.600 0.058 0.000 1.374 119 M HN 0.450 nan 8.290 nan 0.000 0.411 120 E N -0.067 120.165 120.200 0.052 0.000 2.085 120 E HA -0.291 4.050 4.350 -0.015 0.000 0.194 120 E C 1.867 178.498 176.600 0.051 0.000 0.994 120 E CA 1.734 58.160 56.400 0.043 0.000 0.801 120 E CB -0.219 29.503 29.700 0.036 0.000 0.743 120 E HN 0.628 nan 8.360 nan 0.000 0.453 121 E N 0.335 120.572 120.200 0.061 0.000 2.077 121 E HA -0.206 4.135 4.350 -0.015 0.000 0.193 121 E C 1.990 178.633 176.600 0.072 0.000 0.989 121 E CA 0.650 57.089 56.400 0.064 0.000 0.800 121 E CB 0.138 29.880 29.700 0.068 0.000 0.746 121 E HN 0.081 nan 8.360 nan 0.000 0.452 122 L N 1.394 122.682 121.223 0.110 0.000 2.141 122 L HA -0.126 4.205 4.340 -0.015 0.000 0.209 122 L C 2.073 179.009 176.870 0.110 0.000 1.094 122 L CA 1.598 56.537 54.840 0.165 0.000 0.763 122 L CB -0.688 41.522 42.059 0.252 0.000 0.908 122 L HN 0.145 nan 8.230 nan 0.000 0.437 123 E N -0.734 119.515 120.200 0.082 0.000 2.106 123 E HA -0.183 4.158 4.350 -0.015 0.000 0.192 123 E C 1.786 178.345 176.600 -0.069 0.000 0.984 123 E CA 0.708 57.126 56.400 0.030 0.000 0.806 123 E CB 0.040 29.761 29.700 0.035 0.000 0.750 123 E HN 0.354 nan 8.360 nan 0.000 0.458 124 E N 0.202 120.378 120.200 -0.040 0.000 2.409 124 E HA -0.119 4.221 4.350 -0.015 0.000 0.198 124 E C 1.714 178.252 176.600 -0.104 0.000 1.024 124 E CA 0.596 56.972 56.400 -0.040 0.000 0.861 124 E CB 0.041 29.754 29.700 0.021 0.000 0.788 124 E HN 0.407 nan 8.360 nan 0.000 0.521 125 I N 0.474 120.915 120.570 -0.215 0.000 2.852 125 I HA -0.069 4.092 4.170 -0.015 0.000 0.264 125 I C 1.268 177.074 176.117 -0.518 0.000 1.179 125 I CA 0.112 61.218 61.300 -0.323 0.000 1.480 125 I CB 0.209 38.024 38.000 -0.307 0.000 1.111 125 I HN -0.056 nan 8.210 nan 0.000 0.441 126 E N 2.881 122.651 120.200 -0.716 0.000 2.417 126 E HA -0.041 4.299 4.350 -0.015 0.000 0.261 126 E C -0.231 176.270 176.600 -0.164 0.000 1.000 126 E CA -0.186 55.857 56.400 -0.596 0.000 0.919 126 E CB 0.574 30.038 29.700 -0.393 0.000 0.955 126 E HN 0.096 nan 8.360 nan 0.000 0.455 127 E N 3.557 123.752 120.200 -0.008 0.000 2.373 127 E HA 0.027 4.368 4.350 -0.015 0.000 0.267 127 E C -0.781 175.917 176.600 0.163 0.000 1.032 127 E CA -0.090 56.392 56.400 0.138 0.000 0.889 127 E CB 0.623 30.494 29.700 0.286 0.000 0.984 127 E HN 0.488 nan 8.360 nan 0.000 0.425 128 D N 0.897 121.369 120.400 0.120 0.000 2.455 128 D HA 0.121 4.752 4.640 -0.015 0.000 0.241 128 D C -0.250 176.093 176.300 0.071 0.000 1.138 128 D CA 0.229 54.280 54.000 0.085 0.000 0.877 128 D CB 0.530 41.375 40.800 0.075 0.000 1.187 128 D HN 0.372 nan 8.370 nan 0.000 0.451 129 A N 2.643 125.459 122.820 -0.007 0.000 2.544 129 A HA 0.445 4.755 4.320 -0.015 0.000 0.301 129 A C 1.115 178.540 177.584 -0.265 0.000 1.368 129 A CA -0.311 51.510 52.037 -0.361 0.000 1.045 129 A CB -0.283 18.570 19.000 -0.245 0.000 1.129 129 A HN 0.578 nan 8.150 nan 0.000 0.540 130 G N 2.229 110.789 108.800 -0.401 0.000 3.882 130 G HA2 0.408 4.359 3.960 -0.015 0.000 0.283 130 G HA3 0.408 4.359 3.960 -0.015 0.000 0.283 130 G C 0.334 174.905 174.900 -0.548 0.000 1.283 130 G CA -0.311 44.577 45.100 -0.353 0.000 1.402 130 G HN 0.695 nan 8.290 nan 0.000 0.618 131 L N 1.307 122.289 121.223 -0.402 0.000 2.862 131 L HA 0.364 4.695 4.340 -0.015 0.000 0.240 131 L C 1.019 177.805 176.870 -0.140 0.000 1.283 131 L CA -0.158 54.578 54.840 -0.173 0.000 1.117 131 L CB -0.356 41.725 42.059 0.038 0.000 1.444 131 L HN 0.313 nan 8.230 nan 0.000 0.456 132 G N -1.313 107.184 108.800 -0.505 0.000 2.660 132 G HA2 0.182 4.133 3.960 -0.015 0.000 0.290 132 G HA3 0.182 4.133 3.960 -0.015 0.000 0.290 132 G C -0.115 174.423 174.900 -0.603 0.000 1.432 132 G CA -0.465 44.391 45.100 -0.407 0.000 0.807 132 G HN -0.093 nan 8.290 nan 0.000 0.485 133 N N -0.755 117.814 118.700 -0.218 0.000 2.387 133 N HA 0.200 4.930 4.740 -0.015 0.000 0.176 133 N C 1.166 176.722 175.510 0.077 0.000 1.022 133 N CA 1.348 54.337 53.050 -0.102 0.000 0.883 133 N CB 1.144 39.652 38.487 0.035 0.000 1.019 133 N HN 0.856 nan 8.380 nan 0.000 0.435 134 G N -0.701 108.222 108.800 0.205 0.000 2.649 134 G HA2 0.152 4.103 3.960 -0.015 0.000 0.078 134 G HA3 0.152 4.103 3.960 -0.015 0.000 0.078 134 G C 0.707 175.725 174.900 0.197 0.000 1.110 134 G CA 0.196 45.459 45.100 0.271 0.000 1.269 134 G HN 0.149 nan 8.290 nan 0.000 0.581 135 G N 0.391 109.258 108.800 0.112 0.000 2.446 135 G HA2 -0.044 3.907 3.960 -0.015 0.000 0.217 135 G HA3 -0.044 3.907 3.960 -0.015 0.000 0.217 135 G C 1.898 176.791 174.900 -0.011 0.000 1.168 135 G CA 1.558 46.682 45.100 0.039 0.000 0.771 135 G HN 0.857 nan 8.290 nan 0.000 0.551 136 L N 0.622 121.824 121.223 -0.035 0.000 2.046 136 L HA 0.102 4.433 4.340 -0.015 0.000 0.208 136 L C 2.823 179.629 176.870 -0.108 0.000 1.077 136 L CA 1.987 56.724 54.840 -0.172 0.000 0.747 136 L CB -0.578 41.346 42.059 -0.225 0.000 0.896 136 L HN 0.229 nan 8.230 nan 0.000 0.432 137 G N -0.560 108.245 108.800 0.008 0.000 2.408 137 G HA2 -0.296 3.654 3.960 -0.015 0.000 0.217 137 G HA3 -0.296 3.654 3.960 -0.015 0.000 0.217 137 G C 1.673 176.646 174.900 0.121 0.000 1.150 137 G CA 0.651 45.786 45.100 0.057 0.000 0.776 137 G HN 0.275 nan 8.290 nan 0.000 0.542 138 R N 0.275 120.856 120.500 0.136 0.000 2.115 138 R HA 0.141 4.472 4.340 -0.015 0.000 0.226 138 R C 2.306 178.606 176.300 -0.001 0.000 1.100 138 R CA 0.710 56.864 56.100 0.090 0.000 0.980 138 R CB -1.127 29.188 30.300 0.025 0.000 0.875 138 R HN 0.336 nan 8.270 nan 0.000 0.445 139 L N 0.531 121.684 121.223 -0.117 0.000 2.042 139 L HA -0.024 4.307 4.340 -0.015 0.000 0.210 139 L C 2.124 178.712 176.870 -0.470 0.000 1.076 139 L CA 2.217 56.843 54.840 -0.357 0.000 0.749 139 L CB -0.893 40.911 42.059 -0.425 0.000 0.893 139 L HN 0.236 nan 8.230 nan 0.000 0.432 140 A N -0.622 122.064 122.820 -0.224 0.000 1.908 140 A HA -0.165 4.146 4.320 -0.015 0.000 0.218 140 A C 2.444 180.099 177.584 0.119 0.000 1.181 140 A CA 1.947 53.932 52.037 -0.086 0.000 0.627 140 A CB -1.172 17.751 19.000 -0.127 0.000 0.818 140 A HN 0.573 nan 8.150 nan 0.000 0.445 141 A N -1.108 121.810 122.820 0.163 0.000 1.898 141 A HA -0.154 4.157 4.320 -0.015 0.000 0.216 141 A C 2.320 179.976 177.584 0.120 0.000 1.181 141 A CA 1.648 53.794 52.037 0.181 0.000 0.620 141 A CB -1.262 17.831 19.000 0.154 0.000 0.819 141 A HN 0.599 nan 8.150 nan 0.000 0.442 142 C N -1.522 117.851 119.300 0.121 0.000 2.429 142 C HA -0.060 4.391 4.460 -0.015 0.000 0.277 142 C C 2.427 177.577 174.990 0.267 0.000 1.262 142 C CA 0.630 59.758 59.018 0.183 0.000 1.733 142 C CB -1.607 26.261 27.740 0.214 0.000 2.010 142 C HN 0.607 nan 8.230 nan 0.000 0.483 143 F N 1.235 121.165 119.950 -0.033 0.000 2.126 143 F HA -0.092 4.425 4.527 -0.016 0.000 0.299 143 F C 2.264 177.995 175.800 -0.114 0.000 1.096 143 F CA 1.048 58.975 58.000 -0.123 0.000 1.255 143 F CB -1.377 37.412 39.000 -0.351 0.000 0.997 143 F HN 0.196 nan 8.300 nan 0.000 0.479 144 L N -0.420 120.864 121.223 0.102 0.000 2.012 144 L HA -0.262 4.068 4.340 -0.015 0.000 0.210 144 L C 2.183 179.053 176.870 0.001 0.000 1.073 144 L CA 2.053 56.906 54.840 0.022 0.000 0.748 144 L CB -0.854 41.213 42.059 0.014 0.000 0.891 144 L HN 0.107 nan 8.230 nan 0.000 0.431 145 D N -0.403 120.009 120.400 0.018 0.000 2.104 145 D HA -0.185 4.446 4.640 -0.015 0.000 0.194 145 D C 2.212 178.523 176.300 0.018 0.000 0.994 145 D CA 1.598 55.598 54.000 -0.001 0.000 0.830 145 D CB 0.190 40.989 40.800 -0.001 0.000 0.959 145 D HN 0.080 nan 8.370 nan 0.000 0.452 146 S N -0.837 114.892 115.700 0.048 0.000 2.383 146 S HA -0.100 4.361 4.470 -0.015 0.000 0.227 146 S C 1.972 176.582 174.600 0.017 0.000 1.026 146 S CA 0.814 59.036 58.200 0.037 0.000 0.981 146 S CB -0.203 63.027 63.200 0.049 0.000 0.818 146 S HN 0.339 nan 8.310 nan 0.000 0.472 147 M N 0.850 120.452 119.600 0.003 0.000 2.175 147 M HA -0.086 4.385 4.480 -0.015 0.000 0.264 147 M C 2.441 178.739 176.300 -0.002 0.000 1.063 147 M CA 1.409 56.708 55.300 -0.001 0.000 1.119 147 M CB -0.466 32.113 32.600 -0.034 0.000 1.377 147 M HN 0.396 nan 8.290 nan 0.000 0.415 148 A N -0.258 122.556 122.820 -0.011 0.000 1.897 148 A HA -0.113 4.198 4.320 -0.015 0.000 0.215 148 A C 2.150 179.744 177.584 0.017 0.000 1.181 148 A CA 1.971 54.004 52.037 -0.005 0.000 0.620 148 A CB -1.087 17.892 19.000 -0.036 0.000 0.821 148 A HN 0.415 nan 8.150 nan 0.000 0.443 149 T N 0.439 115.009 114.554 0.027 0.000 2.803 149 T HA -0.054 4.287 4.350 -0.015 0.000 0.269 149 T C 1.323 176.051 174.700 0.048 0.000 1.052 149 T CA 1.276 63.407 62.100 0.053 0.000 1.136 149 T CB -0.295 68.615 68.868 0.069 0.000 0.864 149 T HN 0.344 nan 8.240 nan 0.000 0.467 150 L N 0.414 121.662 121.223 0.040 0.000 2.653 150 L HA 0.310 4.641 4.340 -0.015 0.000 0.231 150 L C 1.619 178.519 176.870 0.050 0.000 1.153 150 L CA -0.085 54.781 54.840 0.044 0.000 0.933 150 L CB -0.406 41.679 42.059 0.043 0.000 1.175 150 L HN 0.399 nan 8.230 nan 0.000 0.473 151 G N 1.173 110.005 108.800 0.053 0.000 2.249 151 G HA2 -0.288 3.662 3.960 -0.015 0.000 0.273 151 G HA3 -0.288 3.662 3.960 -0.015 0.000 0.273 151 G C 0.108 175.057 174.900 0.082 0.000 1.036 151 G CA 0.069 45.218 45.100 0.080 0.000 0.824 151 G HN 0.293 nan 8.290 nan 0.000 0.504 152 L N -0.208 121.034 121.223 0.031 0.000 2.350 152 L HA 0.603 4.934 4.340 -0.015 0.000 0.275 152 L C 1.273 178.026 176.870 -0.194 0.000 1.099 152 L CA -0.348 54.462 54.840 -0.048 0.000 0.808 152 L CB 1.501 43.542 42.059 -0.029 0.000 1.149 152 L HN 0.255 nan 8.230 nan 0.000 0.442 153 A N 2.975 125.534 122.820 -0.435 0.000 3.026 153 A HA 0.535 4.846 4.320 -0.015 0.000 0.272 153 A C 0.328 177.524 177.584 -0.647 0.000 1.782 153 A CA -0.097 51.371 52.037 -0.947 0.000 1.451 153 A CB -0.779 17.573 19.000 -1.079 0.000 1.081 153 A HN 0.693 nan 8.150 nan 0.000 0.611 154 A N 1.402 123.893 122.820 -0.549 0.000 2.337 154 A HA 0.786 5.097 4.320 -0.015 0.000 0.329 154 A C -1.074 176.208 177.584 -0.504 0.000 1.146 154 A CA -0.463 51.320 52.037 -0.424 0.000 0.800 154 A CB 0.804 19.644 19.000 -0.267 0.000 1.220 154 A HN 0.595 nan 8.150 nan 0.000 0.472 155 Y N 0.450 120.675 120.300 -0.125 0.000 2.346 155 Y HA 0.515 5.056 4.550 -0.015 0.000 0.332 155 Y C 0.880 176.869 175.900 0.149 0.000 0.985 155 Y CA -0.481 57.628 58.100 0.016 0.000 1.112 155 Y CB 2.296 40.870 38.460 0.190 0.000 1.170 155 Y HN 0.843 nan 8.280 nan 0.000 0.447 156 G N 2.476 111.351 108.800 0.124 0.000 2.355 156 G HA2 0.374 4.325 3.960 -0.015 0.000 0.276 156 G HA3 0.374 4.325 3.960 -0.015 0.000 0.276 156 G C -1.590 173.312 174.900 0.003 0.000 1.198 156 G CA -0.115 45.060 45.100 0.125 0.000 0.876 156 G HN 0.538 nan 8.290 nan 0.000 0.478 157 Y N 1.227 121.760 120.300 0.388 0.000 2.350 157 Y HA 0.613 5.153 4.550 -0.015 0.000 0.338 157 Y C 0.773 177.006 175.900 0.555 0.000 0.961 157 Y CA 0.272 58.581 58.100 0.347 0.000 1.100 157 Y CB 2.618 41.307 38.460 0.382 0.000 1.179 157 Y HN 0.869 nan 8.280 nan 0.000 0.454 158 G N 2.425 111.561 108.800 0.560 0.000 2.772 158 G HA2 0.572 4.523 3.960 -0.015 0.000 0.284 158 G HA3 0.572 4.523 3.960 -0.015 0.000 0.284 158 G C -1.724 173.422 174.900 0.410 0.000 1.217 158 G CA -0.807 44.646 45.100 0.589 0.000 0.831 158 G HN 0.412 nan 8.290 nan 0.000 0.523 159 I N 0.630 121.330 120.570 0.217 0.000 2.474 159 I HA 0.432 4.593 4.170 -0.015 0.000 0.294 159 I C 0.139 176.170 176.117 -0.143 0.000 1.005 159 I CA -0.726 60.583 61.300 0.016 0.000 1.113 159 I CB 2.265 40.048 38.000 -0.361 0.000 1.289 159 I HN 0.361 nan 8.210 nan 0.000 0.436 160 R N 6.015 126.532 120.500 0.028 0.000 2.419 160 R HA 0.234 4.565 4.340 -0.015 0.000 0.305 160 R C -1.285 175.070 176.300 0.091 0.000 1.242 160 R CA -0.401 55.749 56.100 0.083 0.000 1.105 160 R CB -0.010 30.306 30.300 0.027 0.000 1.116 160 R HN 0.391 nan 8.270 nan 0.000 0.523 161 Y N 1.693 122.156 120.300 0.271 0.000 2.442 161 Y HA -0.060 4.481 4.550 -0.015 0.000 0.330 161 Y C 1.573 177.652 175.900 0.298 0.000 1.129 161 Y CA -0.009 58.237 58.100 0.244 0.000 1.365 161 Y CB 0.935 39.516 38.460 0.201 0.000 1.233 161 Y HN 0.606 nan 8.280 nan 0.000 0.529 162 E N 2.389 122.754 120.200 0.274 0.000 2.106 162 E HA -0.097 4.244 4.350 -0.015 0.000 0.192 162 E C -0.742 175.702 176.600 -0.261 0.000 0.984 162 E CA 0.815 57.160 56.400 -0.091 0.000 0.806 162 E CB 0.157 29.692 29.700 -0.276 0.000 0.750 162 E HN 0.507 nan 8.360 nan 0.000 0.458 163 F N -0.292 119.874 119.950 0.361 0.000 2.477 163 F HA 0.454 4.972 4.527 -0.015 0.000 0.335 163 F C 0.771 176.661 175.800 0.150 0.000 1.130 163 F CA -0.833 57.340 58.000 0.288 0.000 0.948 163 F CB 1.879 40.977 39.000 0.162 0.000 1.154 163 F HN -0.105 nan 8.300 nan 0.000 0.439 164 G N 1.752 110.663 108.800 0.184 0.000 2.531 164 G HA2 0.355 4.305 3.960 -0.015 0.000 0.253 164 G HA3 0.355 4.305 3.960 -0.015 0.000 0.253 164 G C -0.526 174.318 174.900 -0.094 0.000 1.439 164 G CA -0.720 44.316 45.100 -0.107 0.000 1.056 164 G HN 0.560 nan 8.290 nan 0.000 0.555 165 I N 1.019 121.441 120.570 -0.247 0.000 2.752 165 I HA 0.168 4.329 4.170 -0.015 0.000 0.289 165 I C 0.589 176.590 176.117 -0.194 0.000 1.197 165 I CA -1.057 60.071 61.300 -0.286 0.000 1.432 165 I CB -0.438 37.285 38.000 -0.461 0.000 1.359 165 I HN 0.327 nan 8.210 nan 0.000 0.571 166 F N 6.246 126.199 119.950 0.005 0.000 2.628 166 F HA 0.198 4.716 4.527 -0.015 0.000 0.362 166 F C 0.581 176.425 175.800 0.073 0.000 1.148 166 F CA -0.539 57.487 58.000 0.044 0.000 1.352 166 F CB -0.368 38.647 39.000 0.025 0.000 1.081 166 F HN 0.431 nan 8.300 nan 0.000 0.605 167 N N 2.413 121.283 118.700 0.284 0.000 2.470 167 N HA 0.022 4.753 4.740 -0.015 0.000 0.268 167 N C -0.694 175.050 175.510 0.391 0.000 1.136 167 N CA -0.201 52.995 53.050 0.244 0.000 0.961 167 N CB 1.069 39.685 38.487 0.215 0.000 1.067 167 N HN 0.747 nan 8.380 nan 0.000 0.468 168 Q N 2.680 122.688 119.800 0.347 0.000 2.294 168 Q HA 0.126 4.457 4.340 -0.015 0.000 0.257 168 Q C -0.884 175.281 176.000 0.275 0.000 0.955 168 Q CA -0.312 55.726 55.803 0.391 0.000 0.936 168 Q CB 0.605 29.580 28.738 0.396 0.000 1.188 168 Q HN 0.214 nan 8.270 nan 0.000 0.420 169 K N 4.322 124.860 120.400 0.229 0.000 2.164 169 K HA 0.441 4.752 4.320 -0.015 0.000 0.258 169 K C -0.510 176.187 176.600 0.162 0.000 0.951 169 K CA -0.850 55.549 56.287 0.187 0.000 0.844 169 K CB 1.465 34.056 32.500 0.151 0.000 1.099 169 K HN 0.625 nan 8.250 nan 0.000 0.435 170 I N 2.614 123.273 120.570 0.148 0.000 2.321 170 I HA 0.183 4.344 4.170 -0.015 0.000 0.291 170 I C -0.191 175.984 176.117 0.096 0.000 0.998 170 I CA -0.642 60.717 61.300 0.098 0.000 1.227 170 I CB 0.718 38.757 38.000 0.065 0.000 1.368 170 I HN 0.421 nan 8.210 nan 0.000 0.466 171 C N 4.198 123.566 119.300 0.112 0.000 2.316 171 C HA 0.559 5.010 4.460 -0.015 0.000 0.324 171 C C 1.135 176.226 174.990 0.168 0.000 1.226 171 C CA -0.521 58.571 59.018 0.123 0.000 1.450 171 C CB 0.411 28.221 27.740 0.117 0.000 2.123 171 C HN 1.087 nan 8.230 nan 0.000 0.454 172 G N 2.525 111.390 108.800 0.109 0.000 2.283 172 G HA2 0.111 4.062 3.960 -0.015 0.000 0.280 172 G HA3 0.111 4.062 3.960 -0.015 0.000 0.280 172 G C 1.104 175.977 174.900 -0.045 0.000 1.029 172 G CA 1.025 46.182 45.100 0.096 0.000 0.840 172 G HN 2.350 nan 8.290 nan 0.000 0.505 173 G N -2.901 105.826 108.800 -0.121 0.000 2.199 173 G HA2 -0.289 3.662 3.960 -0.015 0.000 0.254 173 G HA3 -0.289 3.662 3.960 -0.015 0.000 0.254 173 G C 0.380 174.997 174.900 -0.471 0.000 0.982 173 G CA 0.551 45.450 45.100 -0.335 0.000 0.632 173 G HN 1.166 nan 8.290 nan 0.000 0.529 174 W N 1.067 122.313 121.300 -0.090 0.000 2.449 174 W HA 0.653 5.304 4.660 -0.015 0.000 0.331 174 W C 0.683 177.146 176.519 -0.094 0.000 1.119 174 W CA -0.866 56.419 57.345 -0.101 0.000 1.240 174 W CB 0.831 30.249 29.460 -0.070 0.000 1.251 174 W HN 0.243 nan 8.180 nan 0.000 0.576 175 Q N 3.354 123.249 119.800 0.157 0.000 2.297 175 Q HA 0.190 4.521 4.340 -0.015 0.000 0.267 175 Q C -0.567 175.484 176.000 0.085 0.000 1.006 175 Q CA 0.111 55.973 55.803 0.098 0.000 0.896 175 Q CB 0.514 29.297 28.738 0.074 0.000 1.186 175 Q HN 0.307 nan 8.270 nan 0.000 0.392 176 M N 3.219 122.866 119.600 0.079 0.000 2.436 176 M HA 0.382 4.853 4.480 -0.015 0.000 0.331 176 M C -0.946 175.362 176.300 0.014 0.000 1.135 176 M CA -0.671 54.644 55.300 0.025 0.000 0.987 176 M CB 1.639 34.268 32.600 0.048 0.000 1.687 176 M HN 0.588 nan 8.290 nan 0.000 0.445 177 E N 1.780 121.917 120.200 -0.105 0.000 2.204 177 E HA 0.459 4.800 4.350 -0.015 0.000 0.276 177 E C -0.606 175.993 176.600 -0.001 0.000 0.974 177 E CA -0.542 55.773 56.400 -0.140 0.000 0.815 177 E CB 1.510 30.871 29.700 -0.566 0.000 1.119 177 E HN 0.534 nan 8.360 nan 0.000 0.393 178 E N 0.850 121.125 120.200 0.125 0.000 2.317 178 E HA 0.698 5.038 4.350 -0.015 0.000 0.270 178 E C -1.096 175.589 176.600 0.140 0.000 0.885 178 E CA -1.497 54.961 56.400 0.097 0.000 0.760 178 E CB 1.431 31.192 29.700 0.101 0.000 1.227 178 E HN 0.464 nan 8.360 nan 0.000 0.434 179 A N 2.301 125.156 122.820 0.059 0.000 2.567 179 A HA 0.017 4.327 4.320 -0.015 0.000 0.240 179 A C -0.031 177.707 177.584 0.256 0.000 1.053 179 A CA 0.360 52.429 52.037 0.053 0.000 0.755 179 A CB -0.124 18.751 19.000 -0.207 0.000 0.978 179 A HN 0.686 nan 8.150 nan 0.000 0.507 180 D N 1.868 122.490 120.400 0.369 0.000 2.483 180 D HA 0.182 4.813 4.640 -0.015 0.000 0.220 180 D C -0.378 176.268 176.300 0.577 0.000 1.173 180 D CA -0.112 54.125 54.000 0.394 0.000 0.964 180 D CB 0.299 41.262 40.800 0.272 0.000 1.046 180 D HN 0.388 nan 8.370 nan 0.000 0.517 181 D N 3.842 124.536 120.400 0.491 0.000 2.801 181 D HA -0.018 4.613 4.640 -0.015 0.000 0.232 181 D C 1.172 177.606 176.300 0.222 0.000 1.128 181 D CA -0.504 53.709 54.000 0.355 0.000 1.003 181 D CB -0.195 40.799 40.800 0.323 0.000 1.110 181 D HN 0.556 nan 8.370 nan 0.000 0.477 182 W N 1.345 122.684 121.300 0.065 0.000 2.525 182 W HA -0.051 4.600 4.660 -0.015 0.000 0.259 182 W C 0.173 176.744 176.519 0.087 0.000 1.253 182 W CA 0.147 57.548 57.345 0.093 0.000 1.262 182 W CB -0.721 28.794 29.460 0.092 0.000 1.122 182 W HN 0.167 nan 8.180 nan 0.000 0.607 183 L N 0.893 121.745 121.223 -0.618 0.000 2.607 183 L HA 0.164 4.494 4.340 -0.015 0.000 0.228 183 L C 2.797 179.491 176.870 -0.294 0.000 1.123 183 L CA -0.005 54.441 54.840 -0.657 0.000 0.890 183 L CB -0.607 40.933 42.059 -0.865 0.000 1.103 183 L HN -0.106 nan 8.230 nan 0.000 0.468 184 R N 0.551 120.936 120.500 -0.193 0.000 2.113 184 R HA -0.238 4.093 4.340 -0.015 0.000 0.244 184 R C 1.387 177.510 176.300 -0.295 0.000 1.142 184 R CA 2.146 58.096 56.100 -0.251 0.000 0.953 184 R CB -0.200 29.923 30.300 -0.294 0.000 0.860 184 R HN 0.303 nan 8.270 nan 0.000 0.438 185 Y N -0.484 119.833 120.300 0.028 0.000 2.468 185 Y HA 0.310 4.851 4.550 -0.015 0.000 0.268 185 Y C 0.890 176.790 175.900 -0.001 0.000 1.177 185 Y CA 0.465 58.598 58.100 0.055 0.000 1.265 185 Y CB 0.804 39.414 38.460 0.249 0.000 1.103 185 Y HN 0.445 nan 8.280 nan 0.000 0.522 186 G N 1.244 110.087 108.800 0.072 0.000 2.707 186 G HA2 -0.213 3.738 3.960 -0.015 0.000 0.686 186 G HA3 -0.213 3.738 3.960 -0.015 0.000 0.686 186 G C -1.268 173.700 174.900 0.113 0.000 1.315 186 G CA -0.767 44.339 45.100 0.010 0.000 0.832 186 G HN 0.257 nan 8.290 nan 0.000 0.573 187 N N 0.907 119.623 118.700 0.028 0.000 2.531 187 N HA 0.579 5.310 4.740 -0.015 0.000 0.268 187 N C -0.798 174.705 175.510 -0.012 0.000 1.023 187 N CA -1.891 51.192 53.050 0.055 0.000 0.896 187 N CB 2.154 40.614 38.487 -0.044 0.000 1.233 187 N HN 0.219 nan 8.380 nan 0.000 0.512 188 P HA 0.011 nan 4.420 nan 0.000 0.226 188 P C 0.715 177.679 177.300 -0.559 0.000 1.153 188 P CA 0.825 63.575 63.100 -0.582 0.000 0.777 188 P CB 0.145 31.163 31.700 -1.136 0.000 0.794 189 W N 1.883 123.187 121.300 0.008 0.000 2.523 189 W HA 0.027 4.678 4.660 -0.015 0.000 0.278 189 W C 1.382 177.936 176.519 0.058 0.000 1.236 189 W CA -0.276 57.069 57.345 0.000 0.000 1.306 189 W CB -0.401 29.062 29.460 0.005 0.000 1.101 189 W HN -0.011 nan 8.180 nan 0.000 0.577 190 E N 1.883 122.260 120.200 0.296 0.000 2.349 190 E HA 0.261 4.602 4.350 -0.015 0.000 0.265 190 E C -0.629 176.145 176.600 0.290 0.000 1.064 190 E CA -0.590 55.995 56.400 0.308 0.000 0.886 190 E CB 1.231 31.126 29.700 0.326 0.000 1.036 190 E HN -0.307 nan 8.360 nan 0.000 0.413 191 K N 1.585 122.170 120.400 0.308 0.000 2.535 191 K HA 0.410 4.721 4.320 -0.015 0.000 0.253 191 K C -1.176 175.447 176.600 0.038 0.000 0.953 191 K CA -0.465 55.934 56.287 0.187 0.000 0.863 191 K CB 1.560 34.169 32.500 0.183 0.000 1.111 191 K HN 0.661 nan 8.250 nan 0.000 0.431 192 A N 4.255 127.008 122.820 -0.113 0.000 2.511 192 A HA 0.286 4.597 4.320 -0.015 0.000 0.242 192 A C -0.241 177.170 177.584 -0.288 0.000 1.069 192 A CA -0.011 51.681 52.037 -0.576 0.000 0.763 192 A CB 0.192 18.867 19.000 -0.542 0.000 1.001 192 A HN 0.679 nan 8.150 nan 0.000 0.498 193 R N 3.326 123.656 120.500 -0.283 0.000 2.983 193 R HA 0.200 4.531 4.340 -0.015 0.000 0.300 193 R C -2.344 173.965 176.300 0.015 0.000 1.367 193 R CA -1.617 54.473 56.100 -0.016 0.000 1.564 193 R CB 0.708 31.092 30.300 0.140 0.000 1.314 193 R HN 0.568 nan 8.270 nan 0.000 0.622 194 P HA -0.167 nan 4.420 nan 0.000 0.225 194 P C 0.887 178.173 177.300 -0.023 0.000 1.148 194 P CA 1.059 64.141 63.100 -0.030 0.000 0.779 194 P CB 0.371 32.043 31.700 -0.046 0.000 0.780 195 E N -0.453 119.692 120.200 -0.091 0.000 2.427 195 E HA -0.100 4.241 4.350 -0.015 0.000 0.196 195 E C 0.620 177.001 176.600 -0.364 0.000 1.028 195 E CA 0.625 56.874 56.400 -0.252 0.000 0.864 195 E CB -0.775 28.689 29.700 -0.393 0.000 0.813 195 E HN 0.274 nan 8.360 nan 0.000 0.514 196 F N 1.863 121.826 119.950 0.021 0.000 2.684 196 F HA 0.236 4.754 4.527 -0.015 0.000 0.298 196 F C 0.414 176.309 175.800 0.159 0.000 1.120 196 F CA -0.289 57.755 58.000 0.073 0.000 1.332 196 F CB 0.468 39.501 39.000 0.055 0.000 0.986 196 F HN -0.282 nan 8.300 nan 0.000 0.524 197 T N 2.791 117.480 114.554 0.226 0.000 2.916 197 T HA 0.283 4.623 4.350 -0.015 0.000 0.303 197 T C -0.278 174.521 174.700 0.164 0.000 1.025 197 T CA 0.316 62.550 62.100 0.223 0.000 1.142 197 T CB 0.644 69.595 68.868 0.139 0.000 0.947 197 T HN -0.168 nan 8.240 nan 0.000 0.544 198 L N 5.981 127.279 121.223 0.125 0.000 2.381 198 L HA 0.534 4.865 4.340 -0.015 0.000 0.268 198 L C -2.210 174.619 176.870 -0.068 0.000 0.997 198 L CA -2.597 52.243 54.840 0.001 0.000 0.818 198 L CB 1.910 43.904 42.059 -0.107 0.000 1.310 198 L HN 0.377 nan 8.230 nan 0.000 0.416 199 P HA 0.287 nan 4.420 nan 0.000 0.280 199 P C -1.067 176.092 177.300 -0.235 0.000 1.244 199 P CA -0.278 62.733 63.100 -0.149 0.000 0.784 199 P CB 1.469 33.074 31.700 -0.158 0.000 0.913 200 V N 4.483 124.243 119.914 -0.256 0.000 2.495 200 V HA 0.309 4.420 4.120 -0.015 0.000 0.298 200 V C 0.283 176.140 176.094 -0.395 0.000 1.031 200 V CA -0.608 61.518 62.300 -0.290 0.000 0.871 200 V CB 1.245 32.950 31.823 -0.197 0.000 0.988 200 V HN 0.595 nan 8.190 nan 0.000 0.432 201 H N 4.124 123.017 119.070 -0.294 0.000 2.463 201 H HA 0.598 5.145 4.556 -0.015 0.000 0.332 201 H C -1.229 173.839 175.328 -0.432 0.000 1.127 201 H CA -0.135 55.680 56.048 -0.389 0.000 1.238 201 H CB 1.838 31.118 29.762 -0.804 0.000 1.478 201 H HN 0.472 nan 8.280 nan 0.000 0.499 202 F N 0.307 120.345 119.950 0.147 0.000 2.603 202 F HA 0.208 4.725 4.527 -0.015 0.000 0.317 202 F C -0.129 175.812 175.800 0.235 0.000 1.066 202 F CA -0.557 57.532 58.000 0.148 0.000 0.941 202 F CB 1.038 40.030 39.000 -0.014 0.000 1.291 202 F HN 0.560 nan 8.300 nan 0.000 0.472 203 Y N 0.209 120.819 120.300 0.518 0.000 2.887 203 Y HA -0.055 4.486 4.550 -0.015 0.000 0.467 203 Y C 1.427 177.593 175.900 0.444 0.000 1.191 203 Y CA 0.739 59.059 58.100 0.366 0.000 2.539 203 Y CB -1.942 36.659 38.460 0.234 0.000 1.225 203 Y HN 1.247 nan 8.280 nan 0.000 0.630 204 G N 0.722 109.807 108.800 0.475 0.000 2.598 204 G HA2 0.055 4.006 3.960 -0.015 0.000 0.244 204 G HA3 0.055 4.006 3.960 -0.015 0.000 0.244 204 G C -0.498 174.619 174.900 0.362 0.000 1.302 204 G CA 1.052 46.352 45.100 0.333 0.000 0.903 204 G HN 1.362 nan 8.290 nan 0.000 0.575 205 R N -2.606 118.104 120.500 0.350 0.000 2.752 205 R HA 0.703 5.034 4.340 -0.015 0.000 0.271 205 R C -1.374 175.067 176.300 0.234 0.000 1.026 205 R CA -0.971 55.275 56.100 0.244 0.000 0.901 205 R CB 1.270 31.659 30.300 0.148 0.000 1.243 205 R HN 0.877 nan 8.270 nan 0.000 0.463 206 V N 0.779 120.744 119.914 0.085 0.000 2.394 206 V HA 0.353 4.464 4.120 -0.015 0.000 0.282 206 V C -0.226 175.805 176.094 -0.105 0.000 1.031 206 V CA -0.462 61.814 62.300 -0.040 0.000 0.881 206 V CB 1.280 33.012 31.823 -0.152 0.000 0.982 206 V HN 0.730 nan 8.190 nan 0.000 0.451 207 E N 3.230 123.341 120.200 -0.149 0.000 2.176 207 E HA 0.381 4.722 4.350 -0.015 0.000 0.267 207 E C -1.045 175.416 176.600 -0.230 0.000 0.893 207 E CA -0.706 55.629 56.400 -0.109 0.000 0.761 207 E CB 0.842 30.529 29.700 -0.022 0.000 1.133 207 E HN 0.730 nan 8.360 nan 0.000 0.409 208 H N 2.691 121.778 119.070 0.027 0.000 2.552 208 H HA 0.201 4.748 4.556 -0.015 0.000 0.311 208 H C 0.195 175.533 175.328 0.016 0.000 1.071 208 H CA -0.237 55.822 56.048 0.018 0.000 1.307 208 H CB 1.395 31.163 29.762 0.010 0.000 1.416 208 H HN 0.546 nan 8.280 nan 0.000 0.464 209 T N -1.036 113.581 114.554 0.105 0.000 2.938 209 T HA 0.158 4.498 4.350 -0.015 0.000 0.285 209 T C 1.616 176.355 174.700 0.065 0.000 1.028 209 T CA -0.279 61.861 62.100 0.068 0.000 1.005 209 T CB 1.346 70.238 68.868 0.039 0.000 1.157 209 T HN 0.493 nan 8.240 nan 0.000 0.550 210 S N 0.552 116.278 115.700 0.044 0.000 2.374 210 S HA -0.233 4.228 4.470 -0.015 0.000 0.227 210 S C 1.211 175.832 174.600 0.035 0.000 1.037 210 S CA 1.432 59.653 58.200 0.034 0.000 1.024 210 S CB -1.045 62.170 63.200 0.025 0.000 0.861 210 S HN 0.962 nan 8.310 nan 0.000 0.456 211 Q N 1.262 121.082 119.800 0.034 0.000 3.035 211 Q HA 0.614 4.945 4.340 -0.015 0.000 0.354 211 Q C 0.491 176.514 176.000 0.038 0.000 1.247 211 Q CA -0.389 55.434 55.803 0.033 0.000 1.068 211 Q CB -0.077 28.677 28.738 0.025 0.000 1.424 211 Q HN 0.615 nan 8.270 nan 0.000 0.486 212 G N 0.426 109.260 108.800 0.055 0.000 2.712 212 G HA2 0.053 4.004 3.960 -0.015 0.000 0.683 212 G HA3 0.053 4.004 3.960 -0.015 0.000 0.683 212 G C -0.648 174.292 174.900 0.067 0.000 1.320 212 G CA -0.668 44.472 45.100 0.067 0.000 0.847 212 G HN 0.902 nan 8.290 nan 0.000 0.553 213 A N 0.208 123.059 122.820 0.052 0.000 2.371 213 A HA 0.725 5.036 4.320 -0.015 0.000 0.257 213 A C 0.486 178.030 177.584 -0.068 0.000 1.089 213 A CA 0.406 52.395 52.037 -0.080 0.000 0.794 213 A CB 0.647 19.574 19.000 -0.121 0.000 1.029 213 A HN 0.774 nan 8.150 nan 0.000 0.488 214 K N 0.804 121.148 120.400 -0.093 0.000 2.443 214 K HA 0.207 4.518 4.320 -0.015 0.000 0.252 214 K C -1.870 174.765 176.600 0.058 0.000 0.933 214 K CA -0.378 55.902 56.287 -0.012 0.000 0.792 214 K CB 2.045 34.539 32.500 -0.010 0.000 1.185 214 K HN 0.744 nan 8.250 nan 0.000 0.425 215 W N 5.570 126.792 121.300 -0.131 0.000 2.308 215 W HA 0.356 5.007 4.660 -0.015 0.000 0.311 215 W C -0.716 175.746 176.519 -0.094 0.000 1.088 215 W CA -0.762 56.514 57.345 -0.115 0.000 1.309 215 W CB 0.175 29.558 29.460 -0.129 0.000 1.229 215 W HN 0.290 nan 8.180 nan 0.000 0.427 216 V N 2.885 122.857 119.914 0.097 0.000 3.126 216 V HA 0.605 4.716 4.120 -0.015 0.000 0.314 216 V C -0.071 176.009 176.094 -0.023 0.000 1.138 216 V CA -0.911 61.371 62.300 -0.030 0.000 1.034 216 V CB 1.988 33.819 31.823 0.013 0.000 1.075 216 V HN 0.468 nan 8.190 nan 0.000 0.442 217 D N 0.352 120.735 120.400 -0.027 0.000 2.837 217 D HA -0.141 4.490 4.640 -0.015 0.000 0.230 217 D C 0.566 176.876 176.300 0.016 0.000 1.152 217 D CA 1.541 55.546 54.000 0.008 0.000 0.736 217 D CB -1.517 39.309 40.800 0.044 0.000 1.084 217 D HN 1.309 nan 8.370 nan 0.000 0.429 218 T N -2.580 111.937 114.554 -0.062 0.000 2.904 218 T HA 0.432 4.773 4.350 -0.015 0.000 0.290 218 T C 0.479 175.229 174.700 0.084 0.000 1.018 218 T CA -0.634 61.443 62.100 -0.038 0.000 1.075 218 T CB 1.852 70.544 68.868 -0.295 0.000 0.986 218 T HN 0.032 nan 8.240 nan 0.000 0.523 219 Q N 0.889 120.807 119.800 0.197 0.000 2.256 219 Q HA 0.526 4.856 4.340 -0.015 0.000 0.254 219 Q C -0.857 175.265 176.000 0.204 0.000 0.916 219 Q CA -0.744 55.188 55.803 0.214 0.000 0.932 219 Q CB 1.607 30.535 28.738 0.317 0.000 1.207 219 Q HN 0.544 nan 8.270 nan 0.000 0.426 220 V N 3.653 123.641 119.914 0.123 0.000 2.394 220 V HA 0.345 4.456 4.120 -0.015 0.000 0.282 220 V C -0.307 175.889 176.094 0.170 0.000 1.031 220 V CA -0.603 61.694 62.300 -0.004 0.000 0.881 220 V CB 1.570 33.328 31.823 -0.108 0.000 0.982 220 V HN 0.490 nan 8.190 nan 0.000 0.451 221 V N 6.206 126.239 119.914 0.199 0.000 2.555 221 V HA 0.464 4.575 4.120 -0.015 0.000 0.302 221 V C -0.038 176.169 176.094 0.188 0.000 1.038 221 V CA -0.675 61.771 62.300 0.243 0.000 0.887 221 V CB 1.853 33.903 31.823 0.379 0.000 0.991 221 V HN 0.626 nan 8.190 nan 0.000 0.434 222 L N 3.726 125.049 121.223 0.168 0.000 2.371 222 L HA 0.665 4.996 4.340 -0.015 0.000 0.272 222 L C 0.512 177.566 176.870 0.306 0.000 1.124 222 L CA -0.210 54.727 54.840 0.161 0.000 0.816 222 L CB 1.191 43.325 42.059 0.124 0.000 1.129 222 L HN 0.766 nan 8.230 nan 0.000 0.448 223 A N 5.498 128.445 122.820 0.213 0.000 2.256 223 A HA 0.585 4.896 4.320 -0.015 0.000 0.317 223 A C -0.463 177.394 177.584 0.455 0.000 1.318 223 A CA -0.478 51.717 52.037 0.262 0.000 0.894 223 A CB 0.913 19.618 19.000 -0.492 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.525 224 M N 5.665 125.599 119.600 0.558 0.000 2.149 224 M HA 0.460 4.931 4.480 -0.015 0.000 0.342 224 M C -2.658 173.915 176.300 0.456 0.000 1.068 224 M CA -2.193 53.375 55.300 0.447 0.000 0.991 224 M CB 2.011 34.795 32.600 0.306 0.000 1.596 224 M HN 0.314 nan 8.290 nan 0.000 0.439 225 P HA 0.263 nan 4.420 nan 0.000 0.282 225 P C -1.890 175.330 177.300 -0.133 0.000 1.249 225 P CA 0.039 63.016 63.100 -0.206 0.000 0.806 225 P CB 0.431 31.805 31.700 -0.544 0.000 0.984 226 Y N 0.490 120.704 120.300 -0.144 0.000 2.331 226 Y HA 0.320 4.861 4.550 -0.015 0.000 0.334 226 Y C 0.095 175.958 175.900 -0.062 0.000 0.960 226 Y CA -0.383 57.695 58.100 -0.037 0.000 1.130 226 Y CB 1.281 39.761 38.460 0.033 0.000 1.164 226 Y HN 0.219 nan 8.280 nan 0.000 0.458 227 D N 2.054 122.533 120.400 0.131 0.000 2.198 227 D HA 0.370 5.001 4.640 -0.015 0.000 0.245 227 D C -0.534 175.978 176.300 0.354 0.000 1.079 227 D CA -0.163 53.957 54.000 0.200 0.000 0.854 227 D CB 1.623 42.553 40.800 0.217 0.000 1.148 227 D HN 0.367 nan 8.370 nan 0.000 0.456 228 T N 3.351 118.015 114.554 0.183 0.000 2.807 228 T HA 0.463 4.804 4.350 -0.015 0.000 0.279 228 T C -2.504 172.016 174.700 -0.301 0.000 0.993 228 T CA -1.528 60.581 62.100 0.016 0.000 0.970 228 T CB 1.958 70.833 68.868 0.013 0.000 0.950 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.283 nan 4.420 nan 0.000 0.276 229 P C -0.969 175.971 177.300 -0.599 0.000 1.230 229 P CA -0.367 61.999 63.100 -1.224 0.000 0.776 229 P CB 0.758 31.561 31.700 -1.495 0.000 0.888 230 V N 5.735 125.366 119.914 -0.471 0.000 2.284 230 V HA 0.257 4.368 4.120 -0.015 0.000 0.274 230 V C -2.036 173.913 176.094 -0.242 0.000 1.023 230 V CA -1.972 60.152 62.300 -0.294 0.000 0.808 230 V CB 1.283 32.983 31.823 -0.204 0.000 1.035 230 V HN 0.533 nan 8.190 nan 0.000 0.445 231 P HA 0.250 nan 4.420 nan 0.000 0.281 231 P C 0.424 177.668 177.300 -0.095 0.000 1.252 231 P CA 0.296 63.299 63.100 -0.161 0.000 0.778 231 P CB 1.476 33.079 31.700 -0.162 0.000 0.895 232 G N 2.445 111.208 108.800 -0.062 0.000 2.634 232 G HA2 0.074 4.025 3.960 -0.015 0.000 0.255 232 G HA3 0.074 4.025 3.960 -0.015 0.000 0.255 232 G C -1.071 173.838 174.900 0.015 0.000 1.205 232 G CA -0.548 44.545 45.100 -0.011 0.000 0.884 232 G HN 0.526 nan 8.290 nan 0.000 0.549 233 Y N 0.636 120.894 120.300 -0.069 0.000 2.624 233 Y HA 0.250 4.790 4.550 -0.016 0.000 0.354 233 Y C 1.213 177.073 175.900 -0.066 0.000 1.051 233 Y CA -0.256 57.800 58.100 -0.074 0.000 1.377 233 Y CB 0.055 38.470 38.460 -0.075 0.000 1.168 233 Y HN 0.711 nan 8.280 nan 0.000 0.525 234 R N 2.797 122.992 120.500 -0.508 0.000 3.610 234 R HA -0.317 4.014 4.340 -0.015 0.000 0.274 234 R C -0.001 176.149 176.300 -0.249 0.000 1.123 234 R CA 1.463 57.281 56.100 -0.470 0.000 0.747 234 R CB -1.911 27.934 30.300 -0.758 0.000 1.149 234 R HN 0.946 nan 8.270 nan 0.000 0.471 235 N N -1.404 117.206 118.700 -0.151 0.000 2.177 235 N HA 0.069 4.799 4.740 -0.015 0.000 0.218 235 N C -0.184 175.277 175.510 -0.082 0.000 1.182 235 N CA -0.355 52.640 53.050 -0.091 0.000 0.882 235 N CB 0.521 38.981 38.487 -0.045 0.000 1.052 235 N HN 0.085 nan 8.380 nan 0.000 0.519 236 N N -0.203 118.443 118.700 -0.089 0.000 2.778 236 N HA -0.139 4.592 4.740 -0.015 0.000 0.249 236 N C -0.907 174.561 175.510 -0.069 0.000 1.069 236 N CA 0.616 53.622 53.050 -0.073 0.000 0.831 236 N CB -1.294 37.151 38.487 -0.070 0.000 1.142 236 N HN 0.201 nan 8.380 nan 0.000 0.573 237 V N 1.265 121.141 119.914 -0.063 0.000 2.498 237 V HA 0.372 4.482 4.120 -0.015 0.000 0.279 237 V C 0.599 176.662 176.094 -0.052 0.000 1.048 237 V CA -0.441 61.829 62.300 -0.050 0.000 0.967 237 V CB 2.001 33.819 31.823 -0.009 0.000 0.988 237 V HN -0.027 nan 8.190 nan 0.000 0.473 238 V N 5.562 125.452 119.914 -0.041 0.000 2.409 238 V HA 0.450 4.561 4.120 -0.015 0.000 0.290 238 V C -0.038 176.053 176.094 -0.005 0.000 1.017 238 V CA -0.856 61.393 62.300 -0.085 0.000 0.841 238 V CB 1.463 33.211 31.823 -0.124 0.000 1.003 238 V HN 0.829 nan 8.190 nan 0.000 0.426 239 N N 1.967 120.629 118.700 -0.062 0.000 2.448 239 N HA 0.559 5.290 4.740 -0.015 0.000 0.274 239 N C -0.086 175.409 175.510 -0.025 0.000 1.239 239 N CA -0.303 52.736 53.050 -0.019 0.000 0.982 239 N CB 1.311 39.744 38.487 -0.091 0.000 1.199 239 N HN 0.587 nan 8.380 nan 0.000 0.576 240 T N 0.836 115.394 114.554 0.006 0.000 2.824 240 T HA 0.381 4.722 4.350 -0.015 0.000 0.282 240 T C -0.226 174.444 174.700 -0.050 0.000 0.993 240 T CA -0.492 61.684 62.100 0.127 0.000 0.967 240 T CB 0.932 69.997 68.868 0.328 0.000 0.960 240 T HN 0.301 nan 8.240 nan 0.000 0.441 241 M N 3.991 123.517 119.600 -0.124 0.000 2.088 241 M HA 0.489 4.960 4.480 -0.015 0.000 0.346 241 M C -0.365 175.774 176.300 -0.268 0.000 1.111 241 M CA -0.721 54.413 55.300 -0.276 0.000 1.017 241 M CB 0.575 32.953 32.600 -0.369 0.000 1.568 241 M HN 0.462 nan 8.290 nan 0.000 0.445 242 R N 5.913 126.132 120.500 -0.469 0.000 2.265 242 R HA 0.602 4.933 4.340 -0.015 0.000 0.328 242 R C -1.925 174.047 176.300 -0.547 0.000 0.969 242 R CA -0.404 55.352 56.100 -0.573 0.000 0.832 242 R CB 0.793 30.534 30.300 -0.930 0.000 1.139 242 R HN 0.818 nan 8.270 nan 0.000 0.457 243 L N 5.170 126.197 121.223 -0.327 0.000 2.333 243 L HA 0.491 4.822 4.340 -0.015 0.000 0.280 243 L C -0.804 176.017 176.870 -0.082 0.000 1.004 243 L CA -0.910 53.845 54.840 -0.141 0.000 0.820 243 L CB 1.473 43.548 42.059 0.027 0.000 1.247 243 L HN 0.586 nan 8.230 nan 0.000 0.416 244 W N 1.896 123.314 121.300 0.197 0.000 2.315 244 W HA 0.449 5.099 4.660 -0.015 0.000 0.316 244 W C 0.574 177.324 176.519 0.385 0.000 1.211 244 W CA -0.143 57.344 57.345 0.236 0.000 1.201 244 W CB 1.377 30.829 29.460 -0.014 0.000 1.184 244 W HN 0.337 nan 8.180 nan 0.000 0.544 245 S N 1.688 117.806 115.700 0.697 0.000 2.482 245 S HA 0.743 5.204 4.470 -0.015 0.000 0.303 245 S C -0.390 174.567 174.600 0.595 0.000 1.091 245 S CA -0.734 57.780 58.200 0.523 0.000 1.057 245 S CB 0.627 64.082 63.200 0.425 0.000 1.031 245 S HN 0.508 nan 8.310 nan 0.000 0.485 246 A N 4.799 127.791 122.820 0.287 0.000 2.362 246 A HA 0.592 4.902 4.320 -0.015 0.000 0.276 246 A C -0.057 177.586 177.584 0.098 0.000 1.153 246 A CA -0.177 51.911 52.037 0.085 0.000 0.813 246 A CB 0.301 19.070 19.000 -0.385 0.000 1.081 246 A HN 0.643 nan 8.150 nan 0.000 0.507 247 K N 1.352 121.828 120.400 0.127 0.000 2.427 247 K HA 0.586 4.897 4.320 -0.015 0.000 0.252 247 K C -0.402 176.194 176.600 -0.008 0.000 0.931 247 K CA -0.433 55.889 56.287 0.059 0.000 0.793 247 K CB 2.215 34.782 32.500 0.112 0.000 1.211 247 K HN 0.842 nan 8.250 nan 0.000 0.426 248 A N 4.570 127.314 122.820 -0.127 0.000 2.425 248 A HA 0.384 4.695 4.320 -0.015 0.000 0.249 248 A C -2.083 175.489 177.584 -0.021 0.000 1.084 248 A CA -0.923 50.977 52.037 -0.229 0.000 0.781 248 A CB -0.337 18.308 19.000 -0.592 0.000 1.019 248 A HN 0.357 nan 8.150 nan 0.000 0.490 249 P HA 0.094 nan 4.420 nan 0.000 0.272 249 P C 0.016 177.405 177.300 0.149 0.000 1.230 249 P CA -0.375 62.802 63.100 0.129 0.000 0.788 249 P CB 0.597 32.394 31.700 0.161 0.000 0.949 250 N N 0.772 119.537 118.700 0.109 0.000 2.457 250 N HA -0.095 4.636 4.740 -0.015 0.000 0.180 250 N C 0.821 176.403 175.510 0.120 0.000 1.050 250 N CA 0.916 54.027 53.050 0.102 0.000 0.906 250 N CB -0.371 38.159 38.487 0.073 0.000 0.968 250 N HN 0.558 nan 8.380 nan 0.000 0.445 251 D N -0.695 119.777 120.400 0.119 0.000 2.325 251 D HA -0.083 4.548 4.640 -0.015 0.000 0.225 251 D C 0.100 176.465 176.300 0.108 0.000 1.096 251 D CA -0.550 53.508 54.000 0.097 0.000 0.844 251 D CB -0.976 39.861 40.800 0.062 0.000 0.925 251 D HN 0.054 nan 8.370 nan 0.000 0.513 252 F N 2.333 122.295 119.950 0.019 0.000 2.571 252 F HA 0.030 4.548 4.527 -0.015 0.000 0.390 252 F C 0.539 176.341 175.800 0.003 0.000 1.043 252 F CA 0.277 58.285 58.000 0.014 0.000 1.164 252 F CB 0.011 39.019 39.000 0.013 0.000 1.049 252 F HN -0.180 nan 8.300 nan 0.000 0.552 253 N N 2.748 121.185 118.700 -0.437 0.000 2.815 253 N HA -0.276 4.455 4.740 -0.015 0.000 0.247 253 N C -0.750 174.714 175.510 -0.077 0.000 1.030 253 N CA 1.473 54.361 53.050 -0.270 0.000 0.881 253 N CB -1.417 36.956 38.487 -0.191 0.000 1.134 253 N HN 0.548 nan 8.380 nan 0.000 0.582 262 Y N 1.868 122.177 120.300 0.015 0.000 2.097 262 Y HA -0.060 4.481 4.550 -0.015 0.000 0.282 262 Y C 2.749 178.667 175.900 0.029 0.000 1.152 262 Y CA 2.353 60.465 58.100 0.021 0.000 1.136 262 Y CB -0.160 38.311 38.460 0.018 0.000 0.975 262 Y HN 0.200 nan 8.280 nan 0.000 0.498 263 I N 0.494 121.030 120.570 -0.057 0.000 2.127 263 I HA -0.325 3.836 4.170 -0.015 0.000 0.241 263 I C 2.435 178.466 176.117 -0.143 0.000 1.075 263 I CA 1.589 62.803 61.300 -0.144 0.000 1.334 263 I CB -1.423 36.589 38.000 0.021 0.000 1.040 263 I HN 0.395 nan 8.210 nan 0.000 0.405 264 Q N 0.537 120.300 119.800 -0.061 0.000 2.084 264 Q HA -0.141 4.190 4.340 -0.015 0.000 0.202 264 Q C 2.379 178.358 176.000 -0.036 0.000 0.978 264 Q CA 1.937 57.720 55.803 -0.034 0.000 0.844 264 Q CB -0.326 28.409 28.738 -0.005 0.000 0.898 264 Q HN 0.547 nan 8.270 nan 0.000 0.426 265 A N -0.014 122.772 122.820 -0.056 0.000 1.908 265 A HA -0.164 4.147 4.320 -0.015 0.000 0.218 265 A C 2.397 179.976 177.584 -0.009 0.000 1.181 265 A CA 1.827 53.850 52.037 -0.023 0.000 0.627 265 A CB -0.749 18.230 19.000 -0.035 0.000 0.818 265 A HN 0.241 nan 8.150 nan 0.000 0.445 266 V N 0.077 119.893 119.914 -0.163 0.000 2.358 266 V HA -0.227 3.883 4.120 -0.015 0.000 0.246 266 V C 2.512 178.566 176.094 -0.067 0.000 1.047 266 V CA 1.848 64.056 62.300 -0.153 0.000 1.035 266 V CB -0.699 30.927 31.823 -0.329 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.262 120.925 121.223 -0.060 0.000 2.201 267 L HA -0.124 4.207 4.340 -0.015 0.000 0.212 267 L C 1.943 178.818 176.870 0.008 0.000 1.105 267 L CA 1.159 55.983 54.840 -0.026 0.000 0.775 267 L CB -0.629 41.417 42.059 -0.022 0.000 0.913 267 L HN 0.337 nan 8.230 nan 0.000 0.440 268 D N -0.028 120.409 120.400 0.061 0.000 2.363 268 D HA -0.057 4.574 4.640 -0.015 0.000 0.226 268 D C 2.091 178.491 176.300 0.166 0.000 1.020 268 D CA 0.369 54.455 54.000 0.143 0.000 0.892 268 D CB 0.018 40.937 40.800 0.198 0.000 0.900 268 D HN 0.236 nan 8.370 nan 0.000 0.531 269 R N 0.586 121.080 120.500 -0.010 0.000 2.159 269 R HA -0.084 4.247 4.340 -0.015 0.000 0.237 269 R C 1.588 177.676 176.300 -0.353 0.000 1.131 269 R CA 0.686 56.537 56.100 -0.416 0.000 0.982 269 R CB -0.100 30.048 30.300 -0.253 0.000 0.868 269 R HN 0.136 nan 8.270 nan 0.000 0.453 270 N N 0.689 119.302 118.700 -0.144 0.000 2.192 270 N HA -0.165 4.566 4.740 -0.015 0.000 0.188 270 N C 1.528 176.989 175.510 -0.082 0.000 1.013 270 N CA 1.088 54.085 53.050 -0.089 0.000 0.863 270 N CB -0.167 38.301 38.487 -0.031 0.000 0.990 270 N HN 0.094 nan 8.380 nan 0.000 0.430 271 L N 1.016 122.206 121.223 -0.056 0.000 2.017 271 L HA -0.083 4.247 4.340 -0.015 0.000 0.208 271 L C 2.380 179.217 176.870 -0.055 0.000 1.073 271 L CA 1.470 56.310 54.840 -0.000 0.000 0.745 271 L CB -1.150 40.980 42.059 0.118 0.000 0.894 271 L HN 0.117 nan 8.230 nan 0.000 0.432 272 A N -0.772 121.941 122.820 -0.179 0.000 1.902 272 A HA -0.198 4.113 4.320 -0.015 0.000 0.217 272 A C 2.171 179.644 177.584 -0.185 0.000 1.181 272 A CA 1.647 53.566 52.037 -0.198 0.000 0.623 272 A CB -0.487 18.260 19.000 -0.421 0.000 0.818 272 A HN 0.537 nan 8.150 nan 0.000 0.443 273 E N -0.069 120.021 120.200 -0.184 0.000 2.358 273 E HA -0.084 4.257 4.350 -0.015 0.000 0.195 273 E C 1.176 177.730 176.600 -0.076 0.000 1.010 273 E CA 0.308 56.635 56.400 -0.122 0.000 0.856 273 E CB -0.167 29.476 29.700 -0.095 0.000 0.795 273 E HN 0.477 nan 8.360 nan 0.000 0.504 274 N N 1.238 119.902 118.700 -0.060 0.000 2.348 274 N HA -0.138 4.593 4.740 -0.015 0.000 0.185 274 N C 1.680 177.182 175.510 -0.013 0.000 1.019 274 N CA 0.740 53.785 53.050 -0.010 0.000 0.880 274 N CB -0.125 38.362 38.487 0.000 0.000 0.965 274 N HN 0.260 nan 8.380 nan 0.000 0.437 275 I N 0.530 121.034 120.570 -0.110 0.000 2.145 275 I HA -0.278 3.883 4.170 -0.015 0.000 0.244 275 I C 1.447 177.518 176.117 -0.076 0.000 1.075 275 I CA 1.438 62.637 61.300 -0.168 0.000 1.332 275 I CB -0.257 37.475 38.000 -0.447 0.000 1.033 275 I HN 0.151 nan 8.210 nan 0.000 0.410 276 S N -0.452 115.192 115.700 -0.094 0.000 2.583 276 S HA 0.191 4.652 4.470 -0.015 0.000 0.239 276 S C 1.414 176.137 174.600 0.205 0.000 0.966 276 S CA -0.533 57.702 58.200 0.058 0.000 0.973 276 S CB 0.280 63.500 63.200 0.033 0.000 0.794 276 S HN 0.220 nan 8.310 nan 0.000 0.463 277 R N 1.210 121.838 120.500 0.214 0.000 2.075 277 R HA 0.291 4.622 4.340 -0.015 0.000 0.226 277 R C 0.328 176.881 176.300 0.422 0.000 1.114 277 R CA 1.031 57.298 56.100 0.278 0.000 0.972 277 R CB -0.195 30.240 30.300 0.224 0.000 0.869 277 R HN 0.390 nan 8.270 nan 0.000 0.437 278 V N 0.510 120.644 119.914 0.367 0.000 2.851 278 V HA 0.349 4.459 4.120 -0.015 0.000 0.307 278 V C -1.584 174.497 176.094 -0.023 0.000 1.129 278 V CA -1.364 61.074 62.300 0.230 0.000 0.932 278 V CB 1.780 33.661 31.823 0.096 0.000 1.024 278 V HN 0.160 nan 8.190 nan 0.000 0.426 279 L N 7.030 127.996 121.223 -0.429 0.000 2.410 279 L HA 0.452 4.783 4.340 -0.015 0.000 0.273 279 L C -0.786 175.933 176.870 -0.252 0.000 1.144 279 L CA 0.463 54.840 54.840 -0.771 0.000 0.863 279 L CB 0.402 41.925 42.059 -0.893 0.000 1.140 279 L HN 0.678 nan 8.230 nan 0.000 0.463 280 Y N 7.059 127.275 120.300 -0.140 0.000 2.650 280 Y HA 0.161 4.702 4.550 -0.015 0.000 0.331 280 Y C -1.370 174.532 175.900 0.003 0.000 1.165 280 Y CA -1.151 56.942 58.100 -0.012 0.000 1.473 280 Y CB 0.263 38.742 38.460 0.032 0.000 1.224 280 Y HN 0.569 nan 8.280 nan 0.000 0.533 281 P HA 0.028 nan 4.420 nan 0.000 0.244 281 P C -0.892 176.559 177.300 0.250 0.000 1.632 281 P CA 0.083 63.304 63.100 0.201 0.000 0.944 281 P CB 0.092 32.007 31.700 0.359 0.000 1.569 282 N N 1.344 120.200 118.700 0.260 0.000 2.426 282 N HA 0.125 4.856 4.740 -0.015 0.000 0.275 282 N C -0.465 175.223 175.510 0.296 0.000 1.019 282 N CA 0.173 53.406 53.050 0.306 0.000 0.941 282 N CB 1.311 40.016 38.487 0.363 0.000 1.123 282 N HN 0.132 nan 8.380 nan 0.000 0.486 283 D N 2.091 122.712 120.400 0.369 0.000 2.303 283 D HA 0.118 4.749 4.640 -0.015 0.000 0.236 283 D C -0.251 176.364 176.300 0.525 0.000 1.068 283 D CA -0.161 54.090 54.000 0.419 0.000 0.830 283 D CB 0.433 41.538 40.800 0.509 0.000 1.109 283 D HN 0.364 nan 8.370 nan 0.000 0.496 284 N N 2.824 121.721 118.700 0.328 0.000 2.738 284 N HA -0.257 4.474 4.740 -0.015 0.000 0.249 284 N C -1.165 174.574 175.510 0.382 0.000 1.047 284 N CA 0.693 53.895 53.050 0.253 0.000 0.707 284 N CB -1.064 37.463 38.487 0.066 0.000 0.937 284 N HN 0.411 nan 8.380 nan 0.000 0.545 285 F N 0.590 120.648 119.950 0.181 0.000 2.622 285 F HA 0.439 4.957 4.527 -0.015 0.000 0.318 285 F C -1.397 174.487 175.800 0.140 0.000 1.135 285 F CA -1.188 56.888 58.000 0.126 0.000 1.015 285 F CB 0.948 39.987 39.000 0.066 0.000 1.275 285 F HN -0.015 nan 8.300 nan 0.000 0.457 286 F N 6.033 125.535 119.950 -0.746 0.000 2.405 286 F HA 0.479 4.997 4.527 -0.015 0.000 0.355 286 F C -0.449 174.831 175.800 -0.867 0.000 1.121 286 F CA -0.180 57.432 58.000 -0.646 0.000 1.112 286 F CB 0.729 39.423 39.000 -0.510 0.000 1.126 286 F HN 0.588 nan 8.300 nan 0.000 0.481 287 E N 4.106 123.647 120.200 -1.098 0.000 2.113 287 E HA 0.297 4.637 4.350 -0.015 0.000 0.273 287 E C 0.164 176.021 176.600 -1.239 0.000 0.924 287 E CA -0.704 55.147 56.400 -0.914 0.000 0.764 287 E CB 1.325 30.873 29.700 -0.252 0.000 1.104 287 E HN 0.937 nan 8.360 nan 0.000 0.406 288 G N 5.232 113.261 108.800 -1.285 0.000 3.353 288 G HA2 -0.003 3.948 3.960 -0.015 0.000 0.247 288 G HA3 -0.003 3.948 3.960 -0.015 0.000 0.247 288 G C 0.009 174.866 174.900 -0.071 0.000 1.025 288 G CA -0.158 44.395 45.100 -0.911 0.000 1.863 288 G HN 0.203 nan 8.290 nan 0.000 0.635 289 K N 0.426 120.835 120.400 0.014 0.000 2.143 289 K HA 0.179 4.490 4.320 -0.015 0.000 0.272 289 K C 0.980 177.730 176.600 0.250 0.000 1.001 289 K CA -0.620 55.757 56.287 0.151 0.000 0.915 289 K CB 2.161 34.742 32.500 0.136 0.000 1.047 289 K HN 0.397 nan 8.250 nan 0.000 0.458 290 E N 1.796 122.103 120.200 0.178 0.000 2.085 290 E HA -0.220 4.121 4.350 -0.015 0.000 0.194 290 E C 1.514 178.139 176.600 0.042 0.000 0.994 290 E CA 1.070 57.518 56.400 0.081 0.000 0.801 290 E CB 0.152 29.907 29.700 0.092 0.000 0.743 290 E HN 0.403 nan 8.360 nan 0.000 0.453 291 L N 1.323 122.621 121.223 0.124 0.000 2.079 291 L HA -0.185 4.146 4.340 -0.015 0.000 0.210 291 L C 2.477 179.450 176.870 0.172 0.000 1.081 291 L CA 1.820 56.752 54.840 0.155 0.000 0.752 291 L CB -0.532 41.687 42.059 0.266 0.000 0.896 291 L HN 0.022 nan 8.230 nan 0.000 0.433 292 R N -0.616 119.941 120.500 0.096 0.000 2.081 292 R HA -0.167 4.164 4.340 -0.015 0.000 0.235 292 R C 2.116 178.459 176.300 0.071 0.000 1.131 292 R CA 1.908 57.986 56.100 -0.036 0.000 0.960 292 R CB -1.041 29.020 30.300 -0.398 0.000 0.856 292 R HN 0.408 nan 8.270 nan 0.000 0.436 293 L N 0.874 122.032 121.223 -0.109 0.000 2.046 293 L HA -0.076 4.254 4.340 -0.015 0.000 0.208 293 L C 1.726 178.537 176.870 -0.099 0.000 1.077 293 L CA 1.923 56.494 54.840 -0.449 0.000 0.747 293 L CB -0.450 41.013 42.059 -0.993 0.000 0.896 293 L HN 0.153 nan 8.230 nan 0.000 0.432 294 K N -0.953 119.435 120.400 -0.020 0.000 2.063 294 K HA -0.211 4.100 4.320 -0.015 0.000 0.208 294 K C 2.103 178.874 176.600 0.286 0.000 1.048 294 K CA 1.882 58.233 56.287 0.107 0.000 0.928 294 K CB -0.215 32.155 32.500 -0.217 0.000 0.713 294 K HN 0.503 nan 8.250 nan 0.000 0.442 295 Q N 0.600 120.530 119.800 0.217 0.000 2.061 295 Q HA -0.203 4.127 4.340 -0.015 0.000 0.204 295 Q C 2.017 178.225 176.000 0.347 0.000 0.984 295 Q CA 1.521 57.510 55.803 0.309 0.000 0.846 295 Q CB -0.052 28.888 28.738 0.336 0.000 0.902 295 Q HN 0.392 nan 8.270 nan 0.000 0.421 296 E N -0.214 120.143 120.200 0.261 0.000 2.051 296 E HA -0.214 4.127 4.350 -0.015 0.000 0.192 296 E C 1.778 178.504 176.600 0.211 0.000 0.991 296 E CA 1.075 57.613 56.400 0.231 0.000 0.799 296 E CB -0.151 29.663 29.700 0.190 0.000 0.748 296 E HN 0.321 nan 8.360 nan 0.000 0.449 297 Y N 0.440 120.793 120.300 0.089 0.000 2.200 297 Y HA -0.214 4.327 4.550 -0.015 0.000 0.290 297 Y C 1.975 177.911 175.900 0.060 0.000 1.137 297 Y CA 1.078 59.184 58.100 0.010 0.000 1.163 297 Y CB -0.423 38.003 38.460 -0.056 0.000 0.988 297 Y HN 0.023 nan 8.280 nan 0.000 0.518 298 F N -0.276 119.666 119.950 -0.014 0.000 2.091 298 F HA -0.251 4.267 4.527 -0.015 0.000 0.299 298 F C 2.477 178.128 175.800 -0.248 0.000 1.103 298 F CA 2.064 60.007 58.000 -0.094 0.000 1.228 298 F CB -1.042 38.065 39.000 0.178 0.000 0.984 298 F HN -0.055 nan 8.300 nan 0.000 0.477 299 V N -0.544 119.325 119.914 -0.076 0.000 2.427 299 V HA -0.175 3.936 4.120 -0.015 0.000 0.248 299 V C 2.142 178.097 176.094 -0.232 0.000 1.051 299 V CA 1.859 64.088 62.300 -0.119 0.000 1.048 299 V CB -0.338 31.626 31.823 0.236 0.000 0.666 299 V HN 0.262 nan 8.190 nan 0.000 0.456 300 V N 0.437 120.221 119.914 -0.216 0.000 2.270 300 V HA -0.141 3.969 4.120 -0.015 0.000 0.245 300 V C 2.831 178.686 176.094 -0.398 0.000 1.043 300 V CA 2.091 64.258 62.300 -0.221 0.000 1.014 300 V CB -1.014 30.743 31.823 -0.109 0.000 0.645 300 V HN 0.639 nan 8.190 nan 0.000 0.447 301 A N -0.094 122.314 122.820 -0.686 0.000 1.877 301 A HA -0.143 4.168 4.320 -0.015 0.000 0.216 301 A C 2.398 179.619 177.584 -0.604 0.000 1.186 301 A CA 2.254 53.875 52.037 -0.693 0.000 0.620 301 A CB -0.875 17.477 19.000 -1.081 0.000 0.822 301 A HN 0.575 nan 8.150 nan 0.000 0.443 302 A N -1.158 121.137 122.820 -0.875 0.000 1.898 302 A HA -0.059 4.252 4.320 -0.015 0.000 0.216 302 A C 2.311 179.413 177.584 -0.803 0.000 1.181 302 A CA 2.266 53.595 52.037 -1.180 0.000 0.620 302 A CB -1.263 16.372 19.000 -2.274 0.000 0.819 302 A HN 0.436 nan 8.150 nan 0.000 0.442 303 T N 0.422 114.662 114.554 -0.523 0.000 2.708 303 T HA -0.094 4.247 4.350 -0.015 0.000 0.266 303 T C 1.830 176.287 174.700 -0.405 0.000 1.037 303 T CA 1.429 63.343 62.100 -0.310 0.000 1.146 303 T CB -0.375 68.306 68.868 -0.312 0.000 0.865 303 T HN 0.337 nan 8.240 nan 0.000 0.435 304 L N 0.676 121.703 121.223 -0.327 0.000 2.083 304 L HA -0.169 4.161 4.340 -0.015 0.000 0.209 304 L C 2.922 179.691 176.870 -0.169 0.000 1.083 304 L CA 1.416 56.111 54.840 -0.241 0.000 0.752 304 L CB -0.485 41.471 42.059 -0.172 0.000 0.899 304 L HN 0.360 nan 8.230 nan 0.000 0.433 305 Q N -0.625 119.076 119.800 -0.165 0.000 2.084 305 Q HA -0.256 4.075 4.340 -0.015 0.000 0.202 305 Q C 1.787 177.776 176.000 -0.018 0.000 0.978 305 Q CA 1.782 57.539 55.803 -0.077 0.000 0.844 305 Q CB -0.118 28.561 28.738 -0.099 0.000 0.898 305 Q HN 0.402 nan 8.270 nan 0.000 0.426 306 D N 0.509 120.893 120.400 -0.027 0.000 2.117 306 D HA -0.106 4.524 4.640 -0.015 0.000 0.197 306 D C 1.684 177.943 176.300 -0.068 0.000 0.987 306 D CA 0.877 54.909 54.000 0.053 0.000 0.829 306 D CB -0.050 40.882 40.800 0.218 0.000 0.961 306 D HN 0.162 nan 8.370 nan 0.000 0.460 307 I N 0.132 120.534 120.570 -0.279 0.000 2.163 307 I HA -0.258 3.903 4.170 -0.015 0.000 0.243 307 I C 2.272 178.395 176.117 0.010 0.000 1.085 307 I CA 0.823 61.881 61.300 -0.403 0.000 1.347 307 I CB -0.150 37.456 38.000 -0.656 0.000 1.044 307 I HN 0.050 nan 8.210 nan 0.000 0.408 308 I N 0.076 120.719 120.570 0.122 0.000 2.286 308 I HA -0.251 3.910 4.170 -0.015 0.000 0.245 308 I C 2.770 179.064 176.117 0.294 0.000 1.104 308 I CA 0.967 62.463 61.300 0.327 0.000 1.397 308 I CB -0.411 37.739 38.000 0.251 0.000 1.072 308 I HN 0.172 nan 8.210 nan 0.000 0.417 309 R N 1.322 121.928 120.500 0.176 0.000 2.094 309 R HA -0.241 4.090 4.340 -0.015 0.000 0.239 309 R C 2.478 178.873 176.300 0.158 0.000 1.137 309 R CA 1.900 58.094 56.100 0.156 0.000 0.943 309 R CB -0.299 30.086 30.300 0.141 0.000 0.850 309 R HN 0.212 nan 8.270 nan 0.000 0.433 310 R N -0.643 119.947 120.500 0.150 0.000 2.096 310 R HA -0.164 4.167 4.340 -0.015 0.000 0.235 310 R C 2.199 178.604 176.300 0.174 0.000 1.127 310 R CA 1.693 57.886 56.100 0.154 0.000 0.968 310 R CB -0.367 30.011 30.300 0.129 0.000 0.861 310 R HN 0.304 nan 8.270 nan 0.000 0.440 311 F N 1.291 121.280 119.950 0.064 0.000 2.186 311 F HA -0.098 4.420 4.527 -0.015 0.000 0.299 311 F C 1.618 177.424 175.800 0.010 0.000 1.090 311 F CA 1.511 59.533 58.000 0.036 0.000 1.307 311 F CB 0.079 39.139 39.000 0.100 0.000 1.019 311 F HN -0.140 nan 8.300 nan 0.000 0.489 312 K N -0.331 120.019 120.400 -0.083 0.000 2.167 312 K HA 0.040 4.351 4.320 -0.015 0.000 0.203 312 K C 0.874 177.387 176.600 -0.146 0.000 1.052 312 K CA 0.997 57.160 56.287 -0.205 0.000 0.956 312 K CB -0.133 32.367 32.500 -0.001 0.000 0.735 312 K HN 0.047 nan 8.250 nan 0.000 0.451 313 S N 1.637 117.321 115.700 -0.026 0.000 3.812 313 S HA 0.180 4.641 4.470 -0.015 0.000 0.195 313 S C -0.395 174.233 174.600 0.046 0.000 1.460 313 S CA -0.428 57.805 58.200 0.055 0.000 1.052 313 S CB 0.406 63.696 63.200 0.150 0.000 1.385 313 S HN 0.078 nan 8.310 nan 0.000 0.490 325 N N 1.372 120.075 118.700 0.005 0.000 2.448 325 N HA 0.376 5.107 4.740 -0.015 0.000 0.250 325 N C -0.289 175.291 175.510 0.117 0.000 1.136 325 N CA -0.702 52.398 53.050 0.085 0.000 0.953 325 N CB -0.363 38.160 38.487 0.059 0.000 1.251 325 N HN 0.212 nan 8.380 nan 0.000 0.502 326 F N 1.006 121.066 119.950 0.183 0.000 2.797 326 F HA 0.132 4.650 4.527 -0.015 0.000 0.302 326 F C 1.305 177.172 175.800 0.112 0.000 1.130 326 F CA -0.026 58.061 58.000 0.145 0.000 1.387 326 F CB 0.287 39.254 39.000 -0.056 0.000 1.107 326 F HN 0.440 nan 8.300 nan 0.000 0.577 327 D N 0.376 120.919 120.400 0.239 0.000 2.178 327 D HA -0.169 4.462 4.640 -0.015 0.000 0.201 327 D C 2.203 178.596 176.300 0.155 0.000 0.980 327 D CA 1.255 55.351 54.000 0.160 0.000 0.842 327 D CB -0.070 40.800 40.800 0.115 0.000 0.948 327 D HN 0.237 nan 8.370 nan 0.000 0.472 328 A N -0.670 122.271 122.820 0.201 0.000 2.218 328 A HA 0.062 4.373 4.320 -0.015 0.000 0.209 328 A C 1.642 179.350 177.584 0.207 0.000 1.168 328 A CA -0.164 51.991 52.037 0.196 0.000 0.804 328 A CB -0.750 18.373 19.000 0.205 0.000 0.834 328 A HN 0.227 nan 8.150 nan 0.000 0.482 329 F N 1.908 121.827 119.950 -0.051 0.000 2.063 329 F HA -0.173 4.345 4.527 -0.015 0.000 0.298 329 F C -0.772 174.924 175.800 -0.173 0.000 1.109 329 F CA 2.710 60.459 58.000 -0.418 0.000 1.212 329 F CB -0.643 38.091 39.000 -0.444 0.000 0.973 329 F HN 0.203 nan 8.300 nan 0.000 0.480 330 P HA -0.087 nan 4.420 nan 0.000 0.226 330 P C 0.658 177.924 177.300 -0.056 0.000 1.153 330 P CA 1.419 64.499 63.100 -0.032 0.000 0.777 330 P CB -0.074 31.628 31.700 0.004 0.000 0.794 331 D N -0.826 119.560 120.400 -0.023 0.000 2.323 331 D HA -0.022 4.608 4.640 -0.015 0.000 0.209 331 D C 1.519 177.810 176.300 -0.015 0.000 0.973 331 D CA 0.863 54.861 54.000 -0.005 0.000 0.874 331 D CB 0.123 40.938 40.800 0.026 0.000 0.930 331 D HN 0.131 nan 8.370 nan 0.000 0.521 332 K N 0.080 120.451 120.400 -0.048 0.000 2.380 332 K HA 0.209 4.520 4.320 -0.015 0.000 0.198 332 K C -0.044 176.480 176.600 -0.126 0.000 1.070 332 K CA 0.084 56.352 56.287 -0.030 0.000 1.040 332 K CB 2.210 34.796 32.500 0.144 0.000 0.903 332 K HN -0.057 nan 8.250 nan 0.000 0.549 333 V N 1.015 120.770 119.914 -0.265 0.000 2.623 333 V HA 0.585 4.696 4.120 -0.015 0.000 0.304 333 V C -1.042 174.975 176.094 -0.128 0.000 1.054 333 V CA -1.322 60.822 62.300 -0.260 0.000 0.882 333 V CB 1.785 33.155 31.823 -0.755 0.000 1.002 333 V HN 0.100 nan 8.190 nan 0.000 0.424 334 A N 5.731 128.522 122.820 -0.048 0.000 2.331 334 A HA 0.931 5.242 4.320 -0.015 0.000 0.320 334 A C -0.893 176.719 177.584 0.047 0.000 1.138 334 A CA -0.504 51.534 52.037 0.002 0.000 0.790 334 A CB 0.933 19.880 19.000 -0.089 0.000 1.206 334 A HN 0.780 nan 8.150 nan 0.000 0.470 335 I N 1.859 122.502 120.570 0.120 0.000 2.382 335 I HA 0.276 4.437 4.170 -0.015 0.000 0.286 335 I C -0.310 175.901 176.117 0.157 0.000 1.002 335 I CA -0.517 60.865 61.300 0.137 0.000 1.135 335 I CB 1.900 39.963 38.000 0.104 0.000 1.288 335 I HN 0.696 nan 8.210 nan 0.000 0.448 336 Q N 6.759 126.648 119.800 0.148 0.000 2.303 336 Q HA 0.476 4.807 4.340 -0.015 0.000 0.257 336 Q C -1.245 174.765 176.000 0.017 0.000 0.941 336 Q CA -0.228 55.689 55.803 0.191 0.000 0.931 336 Q CB 1.245 30.198 28.738 0.358 0.000 1.215 336 Q HN 0.572 nan 8.270 nan 0.000 0.437 337 L N 3.996 125.269 121.223 0.083 0.000 2.268 337 L HA 0.351 4.682 4.340 -0.015 0.000 0.289 337 L C 0.053 176.964 176.870 0.068 0.000 1.064 337 L CA -0.683 54.199 54.840 0.070 0.000 0.824 337 L CB 0.458 42.602 42.059 0.143 0.000 1.202 337 L HN 0.581 nan 8.230 nan 0.000 0.433 338 N N 4.490 123.142 118.700 -0.081 0.000 2.421 338 N HA 0.036 4.767 4.740 -0.015 0.000 0.260 338 N C -0.071 175.457 175.510 0.029 0.000 1.173 338 N CA 0.541 53.583 53.050 -0.014 0.000 0.960 338 N CB -0.073 38.296 38.487 -0.197 0.000 1.273 338 N HN 0.592 nan 8.380 nan 0.000 0.497 339 D N -0.077 120.452 120.400 0.214 0.000 4.160 339 D HA -0.228 4.402 4.640 -0.015 0.000 0.291 339 D C 0.407 176.812 176.300 0.175 0.000 2.226 339 D CA 1.565 55.667 54.000 0.171 0.000 1.157 339 D CB -0.501 40.118 40.800 -0.303 0.000 1.020 339 D HN 0.518 nan 8.370 nan 0.000 1.219 340 T N -2.489 112.107 114.554 0.070 0.000 3.113 340 T HA 0.052 4.393 4.350 -0.015 0.000 0.256 340 T C 1.657 176.432 174.700 0.126 0.000 1.131 340 T CA 1.634 63.746 62.100 0.020 0.000 1.074 340 T CB -0.515 68.331 68.868 -0.037 0.000 0.944 340 T HN 0.514 nan 8.240 nan 0.000 0.516 341 H N 2.687 121.847 119.070 0.149 0.000 2.353 341 H HA -0.018 4.529 4.556 -0.015 0.000 0.298 341 H C -0.876 174.546 175.328 0.156 0.000 1.103 341 H CA 1.083 57.235 56.048 0.174 0.000 1.293 341 H CB -0.964 28.902 29.762 0.173 0.000 1.372 341 H HN 0.449 nan 8.280 nan 0.000 0.501 342 P HA 0.086 nan 4.420 nan 0.000 0.254 342 P C 0.738 178.089 177.300 0.085 0.000 1.620 342 P CA 0.325 63.512 63.100 0.146 0.000 1.050 342 P CB 0.346 32.120 31.700 0.123 0.000 1.539 343 S N -0.183 115.559 115.700 0.070 0.000 2.419 343 S HA -0.147 4.314 4.470 -0.015 0.000 0.235 343 S C 1.742 176.349 174.600 0.012 0.000 1.019 343 S CA 0.873 59.072 58.200 -0.002 0.000 0.982 343 S CB -1.513 61.660 63.200 -0.045 0.000 0.789 343 S HN 0.160 nan 8.310 nan 0.000 0.490 344 L N 1.026 122.275 121.223 0.043 0.000 2.456 344 L HA 0.014 4.345 4.340 -0.015 0.000 0.224 344 L C 2.953 179.868 176.870 0.075 0.000 1.148 344 L CA 0.603 55.473 54.840 0.050 0.000 0.825 344 L CB -0.800 41.292 42.059 0.056 0.000 0.937 344 L HN 0.470 nan 8.230 nan 0.000 0.450 345 A N 0.721 123.566 122.820 0.041 0.000 1.948 345 A HA -0.229 4.082 4.320 -0.015 0.000 0.220 345 A C 2.170 179.757 177.584 0.005 0.000 1.177 345 A CA 1.688 53.733 52.037 0.014 0.000 0.636 345 A CB -0.516 18.485 19.000 0.001 0.000 0.815 345 A HN 0.382 nan 8.150 nan 0.000 0.449 346 I N 0.218 120.790 120.570 0.003 0.000 2.090 346 I HA -0.150 4.011 4.170 -0.015 0.000 0.236 346 I C -0.346 175.783 176.117 0.020 0.000 1.064 346 I CA 1.629 62.925 61.300 -0.007 0.000 1.324 346 I CB -1.072 36.925 38.000 -0.005 0.000 1.044 346 I HN 0.249 nan 8.210 nan 0.000 0.399 347 P HA -0.161 nan 4.420 nan 0.000 0.221 347 P C 1.271 178.583 177.300 0.021 0.000 1.150 347 P CA 1.455 64.581 63.100 0.043 0.000 0.800 347 P CB 0.034 31.779 31.700 0.076 0.000 0.787 348 E N 0.276 120.564 120.200 0.147 0.000 2.072 348 E HA -0.154 4.187 4.350 -0.015 0.000 0.191 348 E C 1.913 178.502 176.600 -0.019 0.000 0.985 348 E CA 0.701 57.205 56.400 0.173 0.000 0.801 348 E CB -1.203 28.661 29.700 0.272 0.000 0.750 348 E HN -0.006 nan 8.360 nan 0.000 0.452 349 L N -0.018 121.162 121.223 -0.072 0.000 2.046 349 L HA -0.110 4.221 4.340 -0.015 0.000 0.208 349 L C 2.086 178.808 176.870 -0.247 0.000 1.077 349 L CA 1.777 56.512 54.840 -0.174 0.000 0.747 349 L CB -0.630 41.327 42.059 -0.169 0.000 0.896 349 L HN 0.234 nan 8.230 nan 0.000 0.432 350 M N -0.709 118.758 119.600 -0.222 0.000 2.080 350 M HA -0.240 4.231 4.480 -0.015 0.000 0.260 350 M C 2.438 178.560 176.300 -0.296 0.000 1.068 350 M CA 1.665 56.776 55.300 -0.315 0.000 1.109 350 M CB -1.286 31.107 32.600 -0.344 0.000 1.342 350 M HN 0.337 nan 8.290 nan 0.000 0.405 351 R N 0.033 120.387 120.500 -0.242 0.000 2.080 351 R HA -0.143 4.188 4.340 -0.015 0.000 0.236 351 R C 2.102 178.293 176.300 -0.181 0.000 1.137 351 R CA 1.870 57.832 56.100 -0.230 0.000 0.943 351 R CB -0.268 29.837 30.300 -0.324 0.000 0.846 351 R HN 0.218 nan 8.270 nan 0.000 0.431 352 V N 1.567 121.376 119.914 -0.175 0.000 2.295 352 V HA -0.272 3.839 4.120 -0.015 0.000 0.246 352 V C 2.461 178.390 176.094 -0.276 0.000 1.049 352 V CA 1.853 64.045 62.300 -0.180 0.000 1.024 352 V CB -0.455 31.263 31.823 -0.175 0.000 0.648 352 V HN 0.357 nan 8.190 nan 0.000 0.447 353 L N -0.637 120.356 121.223 -0.383 0.000 2.046 353 L HA -0.149 4.181 4.340 -0.015 0.000 0.208 353 L C 2.388 179.062 176.870 -0.327 0.000 1.077 353 L CA 1.224 55.765 54.840 -0.498 0.000 0.747 353 L CB -0.612 41.112 42.059 -0.558 0.000 0.896 353 L HN 0.220 nan 8.230 nan 0.000 0.432 354 V N -0.556 119.212 119.914 -0.243 0.000 2.300 354 V HA -0.177 3.934 4.120 -0.015 0.000 0.241 354 V C 1.965 178.012 176.094 -0.079 0.000 1.034 354 V CA 1.680 63.901 62.300 -0.132 0.000 1.021 354 V CB -0.353 31.421 31.823 -0.082 0.000 0.662 354 V HN 0.346 nan 8.190 nan 0.000 0.458 355 D N -0.042 120.309 120.400 -0.082 0.000 2.183 355 D HA -0.020 4.611 4.640 -0.015 0.000 0.203 355 D C 1.986 178.258 176.300 -0.047 0.000 0.969 355 D CA 1.165 55.137 54.000 -0.048 0.000 0.842 355 D CB 0.088 40.859 40.800 -0.048 0.000 0.957 355 D HN 0.336 nan 8.370 nan 0.000 0.484 356 L N 0.034 121.212 121.223 -0.075 0.000 2.362 356 L HA 0.132 4.463 4.340 -0.015 0.000 0.204 356 L C 1.832 178.669 176.870 -0.055 0.000 1.060 356 L CA 0.430 55.237 54.840 -0.055 0.000 0.827 356 L CB 0.138 42.166 42.059 -0.053 0.000 1.027 356 L HN -0.191 nan 8.230 nan 0.000 0.474 357 E N 0.268 120.398 120.200 -0.116 0.000 2.447 357 E HA 0.046 4.387 4.350 -0.015 0.000 0.195 357 E C 0.183 176.742 176.600 -0.068 0.000 1.028 357 E CA -0.042 56.297 56.400 -0.103 0.000 0.876 357 E CB 0.437 29.953 29.700 -0.307 0.000 0.885 357 E HN 0.178 nan 8.360 nan 0.000 0.500 358 R N -0.425 120.030 120.500 -0.075 0.000 3.872 358 R HA -0.177 4.153 4.340 -0.015 0.000 0.341 358 R C -0.195 176.088 176.300 -0.029 0.000 1.172 358 R CA 0.213 56.294 56.100 -0.032 0.000 0.901 358 R CB -2.815 27.486 30.300 0.001 0.000 1.422 358 R HN 0.104 nan 8.270 nan 0.000 0.523 359 L N 2.644 123.818 121.223 -0.081 0.000 2.483 359 L HA 0.045 4.376 4.340 -0.015 0.000 0.275 359 L C 1.539 178.398 176.870 -0.019 0.000 1.220 359 L CA 0.669 55.471 54.840 -0.063 0.000 0.833 359 L CB 0.273 42.242 42.059 -0.150 0.000 1.102 359 L HN 0.140 nan 8.230 nan 0.000 0.490 360 D N 1.361 121.776 120.400 0.025 0.000 2.362 360 D HA -0.138 4.493 4.640 -0.015 0.000 0.242 360 D C 0.925 177.292 176.300 0.111 0.000 1.132 360 D CA -0.544 53.506 54.000 0.083 0.000 0.907 360 D CB 0.682 41.537 40.800 0.091 0.000 1.195 360 D HN 0.623 nan 8.370 nan 0.000 0.429 361 W N 2.079 123.382 121.300 0.004 0.000 2.317 361 W HA -0.230 4.421 4.660 -0.015 0.000 0.318 361 W C 1.103 177.668 176.519 0.077 0.000 1.227 361 W CA 1.886 59.242 57.345 0.017 0.000 1.269 361 W CB -0.289 29.161 29.460 -0.016 0.000 1.155 361 W HN 0.475 nan 8.180 nan 0.000 0.484 362 D N 0.290 120.896 120.400 0.344 0.000 2.144 362 D HA -0.192 4.439 4.640 -0.015 0.000 0.199 362 D C 1.882 178.294 176.300 0.187 0.000 0.984 362 D CA 1.825 56.005 54.000 0.300 0.000 0.834 362 D CB -0.339 40.604 40.800 0.239 0.000 0.955 362 D HN 0.099 nan 8.370 nan 0.000 0.465 363 K N 1.387 121.849 120.400 0.105 0.000 2.062 363 K HA 0.021 4.332 4.320 -0.015 0.000 0.205 363 K C 1.859 178.450 176.600 -0.016 0.000 1.051 363 K CA 1.402 57.720 56.287 0.052 0.000 0.941 363 K CB -0.570 31.956 32.500 0.043 0.000 0.719 363 K HN -0.023 nan 8.250 nan 0.000 0.440 364 A N 0.769 123.536 122.820 -0.089 0.000 1.908 364 A HA -0.197 4.114 4.320 -0.015 0.000 0.218 364 A C 2.265 179.744 177.584 -0.175 0.000 1.181 364 A CA 1.571 53.482 52.037 -0.211 0.000 0.627 364 A CB -1.273 17.534 19.000 -0.321 0.000 0.818 364 A HN 0.700 nan 8.150 nan 0.000 0.445 365 W N 0.608 121.695 121.300 -0.356 0.000 2.358 365 W HA -0.187 4.464 4.660 -0.015 0.000 0.303 365 W C 1.995 178.455 176.519 -0.097 0.000 1.208 365 W CA 1.905 59.094 57.345 -0.260 0.000 1.274 365 W CB -0.127 29.230 29.460 -0.172 0.000 1.138 365 W HN 0.618 nan 8.180 nan 0.000 0.515 366 E N 0.040 120.223 120.200 -0.028 0.000 2.077 366 E HA -0.222 4.119 4.350 -0.015 0.000 0.193 366 E C 2.066 178.584 176.600 -0.137 0.000 0.989 366 E CA 1.924 58.275 56.400 -0.081 0.000 0.800 366 E CB -0.308 29.408 29.700 0.027 0.000 0.746 366 E HN 0.050 nan 8.360 nan 0.000 0.452 367 V N 0.750 120.598 119.914 -0.110 0.000 2.261 367 V HA -0.280 3.831 4.120 -0.015 0.000 0.246 367 V C 2.402 178.423 176.094 -0.122 0.000 1.047 367 V CA 2.233 64.485 62.300 -0.080 0.000 1.015 367 V CB -0.881 30.884 31.823 -0.097 0.000 0.642 367 V HN 0.394 nan 8.190 nan 0.000 0.446 368 T N 0.173 114.579 114.554 -0.246 0.000 2.635 368 T HA -0.211 4.130 4.350 -0.015 0.000 0.267 368 T C 1.944 176.460 174.700 -0.307 0.000 1.040 368 T CA 1.915 63.843 62.100 -0.287 0.000 1.156 368 T CB -0.399 68.231 68.868 -0.398 0.000 0.863 368 T HN 0.266 nan 8.240 nan 0.000 0.430 369 V N 1.398 121.003 119.914 -0.514 0.000 2.287 369 V HA -0.207 3.904 4.120 -0.015 0.000 0.248 369 V C 2.381 178.429 176.094 -0.076 0.000 1.053 369 V CA 1.748 63.809 62.300 -0.397 0.000 1.027 369 V CB -0.517 30.994 31.823 -0.520 0.000 0.646 369 V HN 0.468 nan 8.190 nan 0.000 0.447 370 K N -0.556 119.782 120.400 -0.105 0.000 2.283 370 K HA -0.082 4.229 4.320 -0.015 0.000 0.202 370 K C 2.072 178.634 176.600 -0.063 0.000 1.048 370 K CA 1.499 57.702 56.287 -0.139 0.000 0.948 370 K CB -0.196 32.224 32.500 -0.133 0.000 0.742 370 K HN 0.495 nan 8.250 nan 0.000 0.458 371 T N 0.091 114.675 114.554 0.050 0.000 2.976 371 T HA 0.019 4.360 4.350 -0.015 0.000 0.257 371 T C 0.910 175.727 174.700 0.194 0.000 1.051 371 T CA 0.396 62.566 62.100 0.118 0.000 1.141 371 T CB 0.089 69.065 68.868 0.181 0.000 0.881 371 T HN 0.158 nan 8.240 nan 0.000 0.461 372 C N 2.343 121.740 119.300 0.161 0.000 2.401 372 C HA 0.876 5.327 4.460 -0.015 0.000 0.365 372 C C 0.623 175.680 174.990 0.112 0.000 1.250 372 C CA -1.171 57.920 59.018 0.121 0.000 2.131 372 C CB 0.055 27.802 27.740 0.012 0.000 2.445 372 C HN 0.607 nan 8.230 nan 0.000 0.550 373 A N 2.151 125.026 122.820 0.093 0.000 2.498 373 A HA 0.788 5.099 4.320 -0.015 0.000 0.298 373 A C -1.595 176.064 177.584 0.125 0.000 1.075 373 A CA -0.434 51.601 52.037 -0.004 0.000 0.714 373 A CB 1.115 20.115 19.000 -0.000 0.000 1.299 373 A HN 0.951 nan 8.150 nan 0.000 0.407 374 Y N 0.939 121.189 120.300 -0.082 0.000 2.361 374 Y HA 0.618 5.159 4.550 -0.015 0.000 0.337 374 Y C -0.618 175.261 175.900 -0.036 0.000 0.965 374 Y CA -0.328 57.734 58.100 -0.063 0.000 1.091 374 Y CB 2.067 40.444 38.460 -0.138 0.000 1.182 374 Y HN 0.574 nan 8.280 nan 0.000 0.450 375 T N 6.482 120.826 114.554 -0.349 0.000 2.758 375 T HA 0.182 4.523 4.350 -0.015 0.000 0.285 375 T C -0.708 173.499 174.700 -0.820 0.000 0.981 375 T CA -0.753 61.067 62.100 -0.468 0.000 0.965 375 T CB 0.384 69.225 68.868 -0.045 0.000 0.927 375 T HN 0.634 nan 8.240 nan 0.000 0.448 376 N N 1.875 120.079 118.700 -0.826 0.000 2.479 376 N HA 0.115 4.845 4.740 -0.015 0.000 0.285 376 N C 0.006 175.380 175.510 -0.227 0.000 1.075 376 N CA -0.299 52.511 53.050 -0.400 0.000 0.967 376 N CB 0.717 39.152 38.487 -0.087 0.000 1.137 376 N HN 0.664 nan 8.380 nan 0.000 0.472 377 H N 1.130 120.234 119.070 0.056 0.000 2.923 377 H HA 0.177 4.724 4.556 -0.015 0.000 0.268 377 H C -0.248 175.004 175.328 -0.127 0.000 1.148 377 H CA -0.048 55.973 56.048 -0.044 0.000 1.146 377 H CB 1.115 30.858 29.762 -0.031 0.000 1.607 377 H HN 0.508 nan 8.280 nan 0.000 0.566 378 T N 0.272 114.868 114.554 0.070 0.000 2.893 378 T HA 0.217 4.558 4.350 -0.015 0.000 0.337 378 T C 0.385 175.133 174.700 0.081 0.000 1.587 378 T CA -0.357 61.743 62.100 0.000 0.000 1.066 378 T CB 1.282 70.142 68.868 -0.014 0.000 1.414 378 T HN -0.034 nan 8.240 nan 0.000 0.488 379 V N 1.702 121.617 119.914 0.002 0.000 3.528 379 V HA 0.558 4.668 4.120 -0.015 0.000 0.294 379 V C 0.679 176.739 176.094 -0.058 0.000 1.404 379 V CA -0.042 62.236 62.300 -0.036 0.000 1.065 379 V CB -0.323 31.474 31.823 -0.042 0.000 0.904 379 V HN 0.703 nan 8.190 nan 0.000 0.435 380 L N 3.213 124.396 121.223 -0.066 0.000 2.477 380 L HA 0.206 4.537 4.340 -0.015 0.000 0.272 380 L C -0.586 176.287 176.870 0.006 0.000 1.157 380 L CA -0.997 53.827 54.840 -0.026 0.000 0.889 380 L CB 0.892 42.927 42.059 -0.040 0.000 1.158 380 L HN 0.141 nan 8.230 nan 0.000 0.473 381 P HA -0.228 nan 4.420 nan 0.000 0.216 381 P C 1.043 178.354 177.300 0.018 0.000 1.153 381 P CA 1.322 64.425 63.100 0.005 0.000 0.858 381 P CB 0.042 31.749 31.700 0.012 0.000 0.789 382 E N 0.447 120.688 120.200 0.070 0.000 2.338 382 E HA -0.080 4.261 4.350 -0.015 0.000 0.197 382 E C 1.724 178.344 176.600 0.034 0.000 1.007 382 E CA 1.209 57.659 56.400 0.084 0.000 0.849 382 E CB -0.879 28.967 29.700 0.243 0.000 0.774 382 E HN 0.194 nan 8.360 nan 0.000 0.506 383 A N 1.359 124.218 122.820 0.065 0.000 2.123 383 A HA 0.190 4.501 4.320 -0.015 0.000 0.214 383 A C 1.454 179.045 177.584 0.010 0.000 1.152 383 A CA -0.166 51.916 52.037 0.075 0.000 0.728 383 A CB -0.181 18.876 19.000 0.094 0.000 0.814 383 A HN 0.169 nan 8.150 nan 0.000 0.464 384 L N 1.415 122.600 121.223 -0.064 0.000 2.410 384 L HA 0.132 4.463 4.340 -0.015 0.000 0.273 384 L C -0.043 176.518 176.870 -0.515 0.000 1.152 384 L CA -0.192 54.546 54.840 -0.170 0.000 0.855 384 L CB 0.628 42.615 42.059 -0.120 0.000 1.129 384 L HN 0.334 nan 8.230 nan 0.000 0.463 385 E N 4.121 123.916 120.200 -0.675 0.000 2.180 385 E HA 0.227 4.568 4.350 -0.015 0.000 0.283 385 E C -0.622 175.302 176.600 -1.128 0.000 1.061 385 E CA -0.179 55.349 56.400 -1.452 0.000 0.861 385 E CB 0.750 29.954 29.700 -0.827 0.000 1.056 385 E HN 0.386 nan 8.360 nan 0.000 0.407 386 R N 3.619 123.272 120.500 -1.411 0.000 2.576 386 R HA 0.190 4.521 4.340 -0.015 0.000 0.283 386 R C -1.334 174.761 176.300 -0.341 0.000 1.493 386 R CA -0.516 55.241 56.100 -0.572 0.000 1.170 386 R CB 0.795 30.913 30.300 -0.305 0.000 1.189 386 R HN 0.457 nan 8.270 nan 0.000 0.542 387 W N 4.589 125.825 121.300 -0.106 0.000 2.311 387 W HA 0.261 4.912 4.660 -0.015 0.000 0.310 387 W C -1.866 174.625 176.519 -0.046 0.000 1.274 387 W CA -2.102 55.252 57.345 0.014 0.000 1.215 387 W CB 0.701 30.144 29.460 -0.029 0.000 1.227 387 W HN 0.247 nan 8.180 nan 0.000 0.523 388 P HA -0.108 nan 4.420 nan 0.000 0.264 388 P C 0.816 178.045 177.300 -0.118 0.000 1.183 388 P CA 0.266 63.337 63.100 -0.050 0.000 0.763 388 P CB 0.748 32.258 31.700 -0.317 0.000 0.807 389 V N 3.266 123.160 119.914 -0.033 0.000 2.392 389 V HA -0.284 3.827 4.120 -0.015 0.000 0.249 389 V C 2.141 178.236 176.094 0.002 0.000 1.059 389 V CA 2.538 64.847 62.300 0.014 0.000 1.051 389 V CB -1.660 30.237 31.823 0.123 0.000 0.658 389 V HN 0.762 nan 8.190 nan 0.000 0.455 390 H N -1.049 118.081 119.070 0.101 0.000 2.421 390 H HA -0.104 4.443 4.556 -0.015 0.000 0.298 390 H C 2.027 177.406 175.328 0.084 0.000 1.087 390 H CA 1.688 57.791 56.048 0.090 0.000 1.330 390 H CB -0.677 29.139 29.762 0.090 0.000 1.388 390 H HN 0.352 nan 8.280 nan 0.000 0.526 391 L N -0.119 120.974 121.223 -0.216 0.000 2.017 391 L HA -0.128 4.203 4.340 -0.015 0.000 0.208 391 L C 2.413 179.242 176.870 -0.070 0.000 1.073 391 L CA 1.194 56.001 54.840 -0.055 0.000 0.745 391 L CB -0.295 41.719 42.059 -0.074 0.000 0.894 391 L HN 0.305 nan 8.230 nan 0.000 0.432 392 L N -0.733 120.422 121.223 -0.114 0.000 2.093 392 L HA -0.211 4.120 4.340 -0.015 0.000 0.208 392 L C 2.467 179.276 176.870 -0.101 0.000 1.085 392 L CA 1.003 55.748 54.840 -0.159 0.000 0.755 392 L CB -0.339 41.614 42.059 -0.177 0.000 0.904 392 L HN 0.260 nan 8.230 nan 0.000 0.435 393 E N -0.504 119.682 120.200 -0.024 0.000 2.070 393 E HA -0.234 4.107 4.350 -0.015 0.000 0.197 393 E C 1.970 178.608 176.600 0.063 0.000 1.004 393 E CA 2.132 58.551 56.400 0.031 0.000 0.805 393 E CB 0.089 29.848 29.700 0.099 0.000 0.744 393 E HN 0.422 nan 8.360 nan 0.000 0.451 394 T N 0.616 115.234 114.554 0.106 0.000 2.732 394 T HA -0.103 4.238 4.350 -0.015 0.000 0.261 394 T C 1.782 176.595 174.700 0.189 0.000 1.040 394 T CA 0.899 63.115 62.100 0.193 0.000 1.145 394 T CB -0.216 68.803 68.868 0.251 0.000 0.866 394 T HN 0.061 nan 8.240 nan 0.000 0.427 395 L N -0.050 121.179 121.223 0.010 0.000 2.095 395 L HA 0.302 4.633 4.340 -0.015 0.000 0.204 395 L C 0.430 177.229 176.870 -0.119 0.000 1.080 395 L CA 1.612 56.327 54.840 -0.208 0.000 0.759 395 L CB 0.008 41.911 42.059 -0.261 0.000 0.914 395 L HN 0.187 nan 8.230 nan 0.000 0.439 396 L N 0.507 121.619 121.223 -0.185 0.000 2.551 396 L HA 0.284 4.615 4.340 -0.015 0.000 0.248 396 L C -1.735 174.939 176.870 -0.326 0.000 1.509 396 L CA -0.964 53.666 54.840 -0.349 0.000 0.842 396 L CB 0.949 42.638 42.059 -0.616 0.000 1.087 396 L HN -0.058 nan 8.230 nan 0.000 0.512 397 P HA -0.189 nan 4.420 nan 0.000 0.216 397 P C 1.487 178.592 177.300 -0.326 0.000 1.150 397 P CA 1.155 64.131 63.100 -0.207 0.000 0.837 397 P CB 0.376 32.029 31.700 -0.078 0.000 0.786 398 R N -0.334 119.787 120.500 -0.631 0.000 2.092 398 R HA -0.148 4.183 4.340 -0.015 0.000 0.231 398 R C 2.338 178.329 176.300 -0.515 0.000 1.119 398 R CA 1.594 57.331 56.100 -0.604 0.000 0.970 398 R CB -1.305 28.470 30.300 -0.874 0.000 0.864 398 R HN 0.230 nan 8.270 nan 0.000 0.440 399 H N -0.273 118.474 119.070 -0.539 0.000 2.389 399 H HA -0.050 4.497 4.556 -0.015 0.000 0.299 399 H C 1.818 176.965 175.328 -0.302 0.000 1.081 399 H CA 1.615 57.433 56.048 -0.384 0.000 1.345 399 H CB -0.138 29.355 29.762 -0.449 0.000 1.393 399 H HN 0.099 nan 8.280 nan 0.000 0.520 400 L N 0.508 121.599 121.223 -0.220 0.000 2.012 400 L HA -0.279 4.051 4.340 -0.015 0.000 0.210 400 L C 1.995 178.656 176.870 -0.348 0.000 1.073 400 L CA 1.660 56.297 54.840 -0.338 0.000 0.748 400 L CB -0.307 41.578 42.059 -0.290 0.000 0.891 400 L HN 0.440 nan 8.230 nan 0.000 0.431 401 Q N -0.374 119.336 119.800 -0.150 0.000 2.096 401 Q HA -0.247 4.084 4.340 -0.015 0.000 0.204 401 Q C 2.157 178.169 176.000 0.021 0.000 0.982 401 Q CA 1.737 57.544 55.803 0.008 0.000 0.850 401 Q CB -0.128 28.621 28.738 0.019 0.000 0.901 401 Q HN 0.551 nan 8.270 nan 0.000 0.422 402 I N 0.277 120.840 120.570 -0.011 0.000 2.315 402 I HA -0.269 3.892 4.170 -0.015 0.000 0.248 402 I C 2.084 178.282 176.117 0.135 0.000 1.117 402 I CA 1.000 62.388 61.300 0.146 0.000 1.404 402 I CB -0.105 37.928 38.000 0.055 0.000 1.071 402 I HN 0.190 nan 8.210 nan 0.000 0.419 403 I N -0.603 119.952 120.570 -0.025 0.000 2.226 403 I HA -0.313 3.848 4.170 -0.015 0.000 0.245 403 I C 2.355 178.476 176.117 0.006 0.000 1.100 403 I CA 1.379 62.650 61.300 -0.048 0.000 1.374 403 I CB -0.386 37.515 38.000 -0.166 0.000 1.057 403 I HN 0.155 nan 8.210 nan 0.000 0.413 404 Y N 0.890 121.195 120.300 0.008 0.000 2.145 404 Y HA -0.278 4.263 4.550 -0.015 0.000 0.286 404 Y C 2.622 178.483 175.900 -0.065 0.000 1.145 404 Y CA 1.546 59.634 58.100 -0.019 0.000 1.148 404 Y CB -0.889 37.552 38.460 -0.032 0.000 0.981 404 Y HN 0.172 nan 8.280 nan 0.000 0.507 405 E N 0.468 120.698 120.200 0.050 0.000 2.058 405 E HA -0.174 4.167 4.350 -0.015 0.000 0.194 405 E C 2.103 178.598 176.600 -0.175 0.000 0.997 405 E CA 1.527 57.798 56.400 -0.215 0.000 0.801 405 E CB -0.593 28.783 29.700 -0.539 0.000 0.746 405 E HN 0.474 nan 8.360 nan 0.000 0.450 406 I N 0.642 121.236 120.570 0.039 0.000 2.163 406 I HA -0.318 3.843 4.170 -0.015 0.000 0.243 406 I C 2.312 178.432 176.117 0.004 0.000 1.085 406 I CA 1.487 62.773 61.300 -0.022 0.000 1.347 406 I CB -0.448 37.560 38.000 0.012 0.000 1.044 406 I HN 0.225 nan 8.210 nan 0.000 0.408 407 N N 0.730 119.478 118.700 0.080 0.000 2.084 407 N HA -0.273 4.458 4.740 -0.015 0.000 0.190 407 N C 1.865 177.457 175.510 0.136 0.000 1.030 407 N CA 1.630 54.774 53.050 0.156 0.000 0.849 407 N CB -0.173 38.426 38.487 0.188 0.000 1.012 407 N HN 0.341 nan 8.380 nan 0.000 0.423 408 Q N 0.009 119.835 119.800 0.043 0.000 2.050 408 Q HA -0.121 4.210 4.340 -0.015 0.000 0.202 408 Q C 2.043 178.023 176.000 -0.034 0.000 0.980 408 Q CA 1.384 57.178 55.803 -0.015 0.000 0.840 408 Q CB -0.011 28.679 28.738 -0.081 0.000 0.898 408 Q HN 0.363 nan 8.270 nan 0.000 0.424 409 R N -0.672 119.782 120.500 -0.078 0.000 2.092 409 R HA -0.127 4.204 4.340 -0.015 0.000 0.231 409 R C 2.174 178.484 176.300 0.017 0.000 1.119 409 R CA 1.377 57.426 56.100 -0.085 0.000 0.970 409 R CB -0.378 29.813 30.300 -0.181 0.000 0.864 409 R HN 0.286 nan 8.270 nan 0.000 0.440 410 F N 1.388 121.301 119.950 -0.062 0.000 2.113 410 F HA -0.105 4.412 4.527 -0.015 0.000 0.297 410 F C 1.846 177.662 175.800 0.026 0.000 1.103 410 F CA 1.346 59.360 58.000 0.023 0.000 1.248 410 F CB -0.130 38.917 39.000 0.078 0.000 0.999 410 F HN -0.105 nan 8.300 nan 0.000 0.475 411 L N -0.055 121.192 121.223 0.039 0.000 2.201 411 L HA -0.217 4.114 4.340 -0.015 0.000 0.212 411 L C 1.945 178.755 176.870 -0.099 0.000 1.105 411 L CA 1.453 56.258 54.840 -0.059 0.000 0.775 411 L CB -0.852 41.230 42.059 0.037 0.000 0.913 411 L HN 0.258 nan 8.230 nan 0.000 0.440 412 N N -0.200 118.454 118.700 -0.076 0.000 2.166 412 N HA -0.160 4.571 4.740 -0.015 0.000 0.186 412 N C 1.901 177.354 175.510 -0.096 0.000 1.019 412 N CA 0.745 53.750 53.050 -0.075 0.000 0.856 412 N CB 0.004 38.452 38.487 -0.065 0.000 0.993 412 N HN 0.271 nan 8.380 nan 0.000 0.426 413 R N 0.562 120.983 120.500 -0.132 0.000 2.096 413 R HA -0.049 4.281 4.340 -0.015 0.000 0.235 413 R C 2.129 178.322 176.300 -0.177 0.000 1.127 413 R CA 0.852 56.865 56.100 -0.145 0.000 0.968 413 R CB -0.234 29.975 30.300 -0.151 0.000 0.861 413 R HN 0.103 nan 8.270 nan 0.000 0.440 414 V N 0.759 120.522 119.914 -0.251 0.000 2.358 414 V HA -0.202 3.909 4.120 -0.015 0.000 0.246 414 V C 2.422 178.517 176.094 0.002 0.000 1.047 414 V CA 1.901 64.125 62.300 -0.127 0.000 1.035 414 V CB -0.675 31.006 31.823 -0.237 0.000 0.658 414 V HN 0.381 nan 8.190 nan 0.000 0.452 415 A N 0.119 122.911 122.820 -0.047 0.000 1.933 415 A HA -0.115 4.196 4.320 -0.015 0.000 0.218 415 A C 2.375 179.937 177.584 -0.036 0.000 1.175 415 A CA 2.085 54.109 52.037 -0.021 0.000 0.628 415 A CB -0.697 18.282 19.000 -0.035 0.000 0.814 415 A HN 0.575 nan 8.150 nan 0.000 0.444 416 A N -0.675 122.104 122.820 -0.068 0.000 2.014 416 A HA 0.306 4.617 4.320 -0.015 0.000 0.218 416 A C 2.333 179.831 177.584 -0.142 0.000 1.163 416 A CA 1.720 53.705 52.037 -0.087 0.000 0.652 416 A CB -0.599 18.353 19.000 -0.080 0.000 0.808 416 A HN 0.950 nan 8.150 nan 0.000 0.449 417 A N -1.685 121.012 122.820 -0.205 0.000 1.984 417 A HA 0.425 4.736 4.320 -0.015 0.000 0.214 417 A C 0.406 177.565 177.584 -0.708 0.000 1.173 417 A CA 0.427 52.183 52.037 -0.469 0.000 0.673 417 A CB -0.061 18.596 19.000 -0.571 0.000 0.830 417 A HN 0.398 nan 8.150 nan 0.000 0.453 418 F N 0.293 120.193 119.950 -0.083 0.000 2.531 418 F HA 0.353 4.871 4.527 -0.015 0.000 0.333 418 F C -2.804 172.958 175.800 -0.064 0.000 1.292 418 F CA -2.820 55.136 58.000 -0.073 0.000 1.184 418 F CB 0.880 39.828 39.000 -0.086 0.000 1.426 418 F HN -0.055 nan 8.300 nan 0.000 0.559 419 P HA 0.226 nan 4.420 nan 0.000 0.268 419 P C 0.990 178.309 177.300 0.032 0.000 1.204 419 P CA 0.781 63.891 63.100 0.017 0.000 0.768 419 P CB 1.042 32.733 31.700 -0.015 0.000 0.842 420 G N 2.299 111.110 108.800 0.019 0.000 2.205 420 G HA2 -0.243 3.708 3.960 -0.015 0.000 0.261 420 G HA3 -0.243 3.708 3.960 -0.015 0.000 0.261 420 G C 0.316 175.226 174.900 0.017 0.000 0.980 420 G CA 0.017 45.126 45.100 0.014 0.000 0.632 420 G HN 0.599 nan 8.290 nan 0.000 0.533 421 D N 1.357 121.776 120.400 0.032 0.000 2.551 421 D HA 0.377 5.008 4.640 -0.015 0.000 0.223 421 D C 2.094 178.387 176.300 -0.012 0.000 1.144 421 D CA 0.414 54.420 54.000 0.010 0.000 1.025 421 D CB 0.398 41.207 40.800 0.016 0.000 1.085 421 D HN 0.574 nan 8.370 nan 0.000 0.506 422 V N 0.663 120.570 119.914 -0.010 0.000 2.515 422 V HA -0.131 3.980 4.120 -0.015 0.000 0.250 422 V C 1.784 177.869 176.094 -0.016 0.000 1.058 422 V CA 1.426 63.719 62.300 -0.011 0.000 1.064 422 V CB -0.394 31.425 31.823 -0.006 0.000 0.675 422 V HN 0.196 nan 8.190 nan 0.000 0.461 423 D N 0.403 120.790 120.400 -0.022 0.000 2.144 423 D HA -0.159 4.472 4.640 -0.015 0.000 0.200 423 D C 2.329 178.604 176.300 -0.042 0.000 0.978 423 D CA 1.342 55.328 54.000 -0.022 0.000 0.833 423 D CB -0.212 40.576 40.800 -0.020 0.000 0.961 423 D HN 0.431 nan 8.370 nan 0.000 0.470 424 R N -0.114 120.336 120.500 -0.084 0.000 2.083 424 R HA -0.117 4.214 4.340 -0.015 0.000 0.237 424 R C 2.334 178.567 176.300 -0.111 0.000 1.137 424 R CA 1.081 57.092 56.100 -0.147 0.000 0.951 424 R CB -0.326 29.821 30.300 -0.255 0.000 0.851 424 R HN 0.255 nan 8.270 nan 0.000 0.434 425 L N 0.200 121.382 121.223 -0.067 0.000 2.043 425 L HA -0.235 4.096 4.340 -0.015 0.000 0.212 425 L C 2.924 179.802 176.870 0.013 0.000 1.075 425 L CA 1.734 56.555 54.840 -0.031 0.000 0.752 425 L CB -0.569 41.481 42.059 -0.015 0.000 0.891 425 L HN 0.315 nan 8.230 nan 0.000 0.432 426 R N 0.483 120.994 120.500 0.018 0.000 2.075 426 R HA -0.125 4.206 4.340 -0.015 0.000 0.232 426 R C 2.450 178.804 176.300 0.090 0.000 1.126 426 R CA 1.218 57.350 56.100 0.053 0.000 0.963 426 R CB -0.045 30.279 30.300 0.040 0.000 0.858 426 R HN 0.305 nan 8.270 nan 0.000 0.435 427 R N -0.364 120.173 120.500 0.063 0.000 2.148 427 R HA -0.021 4.310 4.340 -0.015 0.000 0.227 427 R C 2.084 178.483 176.300 0.165 0.000 1.103 427 R CA 1.425 57.593 56.100 0.114 0.000 0.983 427 R CB -0.043 30.285 30.300 0.048 0.000 0.874 427 R HN 0.320 nan 8.270 nan 0.000 0.451 428 M N -0.030 119.587 119.600 0.028 0.000 2.492 428 M HA 0.056 4.527 4.480 -0.015 0.000 0.255 428 M C 0.813 177.257 176.300 0.241 0.000 1.139 428 M CA -0.037 55.217 55.300 -0.076 0.000 1.096 428 M CB 0.516 32.913 32.600 -0.337 0.000 1.360 428 M HN -0.084 nan 8.290 nan 0.000 0.480 429 S N 1.217 117.073 115.700 0.260 0.000 2.558 429 S HA 0.030 4.490 4.470 -0.015 0.000 0.291 429 S C 1.175 176.022 174.600 0.412 0.000 1.306 429 S CA -0.186 58.192 58.200 0.297 0.000 1.056 429 S CB 0.532 63.855 63.200 0.205 0.000 0.836 429 S HN 0.359 nan 8.310 nan 0.000 0.504 430 L N 4.257 125.672 121.223 0.321 0.000 2.217 430 L HA 0.075 4.406 4.340 -0.015 0.000 0.211 430 L C 0.427 177.403 176.870 0.177 0.000 1.107 430 L CA 0.399 55.390 54.840 0.251 0.000 0.783 430 L CB -0.430 41.716 42.059 0.145 0.000 0.919 430 L HN 0.417 nan 8.230 nan 0.000 0.442 431 V N 1.626 121.657 119.914 0.195 0.000 2.364 431 V HA 0.093 4.204 4.120 -0.015 0.000 0.272 431 V C 0.201 176.384 176.094 0.149 0.000 1.036 431 V CA -0.637 61.768 62.300 0.175 0.000 0.880 431 V CB 1.019 32.985 31.823 0.239 0.000 0.991 431 V HN 0.313 nan 8.190 nan 0.000 0.460 432 E N 4.470 124.736 120.200 0.110 0.000 2.197 432 E HA 0.465 4.806 4.350 -0.015 0.000 0.281 432 E C -0.597 176.054 176.600 0.085 0.000 0.995 432 E CA -0.783 55.673 56.400 0.093 0.000 0.808 432 E CB 1.425 31.161 29.700 0.059 0.000 1.093 432 E HN 0.505 nan 8.360 nan 0.000 0.394 433 E N 1.939 122.186 120.200 0.079 0.000 2.349 433 E HA 0.572 4.912 4.350 -0.015 0.000 0.262 433 E C 0.243 176.879 176.600 0.060 0.000 1.088 433 E CA 0.064 56.505 56.400 0.068 0.000 0.899 433 E CB 1.587 31.321 29.700 0.057 0.000 1.044 433 E HN 0.847 nan 8.360 nan 0.000 0.420 434 G N -0.588 108.247 108.800 0.058 0.000 2.356 434 G HA2 0.231 4.182 3.960 -0.015 0.000 0.288 434 G HA3 0.231 4.182 3.960 -0.015 0.000 0.288 434 G C 0.383 175.317 174.900 0.057 0.000 1.302 434 G CA 0.062 45.194 45.100 0.053 0.000 0.887 434 G HN 0.431 nan 8.290 nan 0.000 0.521 435 A N -1.011 121.841 122.820 0.054 0.000 1.884 435 A HA 0.263 4.574 4.320 -0.015 0.000 0.219 435 A C 1.698 179.327 177.584 0.075 0.000 1.197 435 A CA 3.441 55.511 52.037 0.056 0.000 0.637 435 A CB -1.184 17.846 19.000 0.050 0.000 0.827 435 A HN 2.306 nan 8.150 nan 0.000 0.450 436 V N -2.798 117.171 119.914 0.092 0.000 2.435 436 V HA 0.525 4.636 4.120 -0.015 0.000 0.290 436 V C -0.333 175.830 176.094 0.116 0.000 1.030 436 V CA -1.347 61.032 62.300 0.132 0.000 0.881 436 V CB 1.332 33.262 31.823 0.179 0.000 0.983 436 V HN 0.303 nan 8.190 nan 0.000 0.445 437 K N 4.138 124.615 120.400 0.128 0.000 2.326 437 K HA 0.505 4.816 4.320 -0.015 0.000 0.275 437 K C -0.327 176.336 176.600 0.105 0.000 1.018 437 K CA -0.238 56.118 56.287 0.116 0.000 0.962 437 K CB 0.915 33.496 32.500 0.136 0.000 0.953 437 K HN 0.756 nan 8.250 nan 0.000 0.475 438 R N 1.743 122.294 120.500 0.085 0.000 2.837 438 R HA 0.463 4.794 4.340 -0.015 0.000 0.271 438 R C -0.620 175.712 176.300 0.055 0.000 0.993 438 R CA -1.044 55.094 56.100 0.063 0.000 0.931 438 R CB 1.285 31.604 30.300 0.031 0.000 1.206 438 R HN 0.360 nan 8.270 nan 0.000 0.474 439 I N 1.987 122.585 120.570 0.046 0.000 2.331 439 I HA 0.140 4.301 4.170 -0.015 0.000 0.292 439 I C -0.018 176.075 176.117 -0.040 0.000 0.998 439 I CA -0.719 60.594 61.300 0.023 0.000 1.267 439 I CB 0.966 38.978 38.000 0.020 0.000 1.386 439 I HN 0.501 nan 8.210 nan 0.000 0.476 440 N N 7.040 125.689 118.700 -0.085 0.000 2.402 440 N HA 0.095 4.826 4.740 -0.015 0.000 0.252 440 N C 0.773 176.177 175.510 -0.177 0.000 1.118 440 N CA -0.309 52.609 53.050 -0.221 0.000 0.945 440 N CB 0.974 39.183 38.487 -0.463 0.000 1.147 440 N HN 0.366 nan 8.380 nan 0.000 0.495 441 M N 2.494 121.984 119.600 -0.182 0.000 2.254 441 M HA -0.033 4.438 4.480 -0.015 0.000 0.265 441 M C 1.955 178.100 176.300 -0.258 0.000 1.066 441 M CA 0.666 55.878 55.300 -0.147 0.000 1.123 441 M CB -1.605 30.952 32.600 -0.072 0.000 1.388 441 M HN 0.608 nan 8.290 nan 0.000 0.425 442 A N -0.275 122.385 122.820 -0.267 0.000 1.902 442 A HA -0.192 4.119 4.320 -0.015 0.000 0.217 442 A C 2.021 179.352 177.584 -0.422 0.000 1.181 442 A CA 1.647 53.478 52.037 -0.343 0.000 0.623 442 A CB -1.181 17.824 19.000 0.008 0.000 0.818 442 A HN 0.600 nan 8.150 nan 0.000 0.443 443 H N -1.127 117.707 119.070 -0.394 0.000 2.357 443 H HA -0.034 4.513 4.556 -0.015 0.000 0.301 443 H C 2.148 177.247 175.328 -0.381 0.000 1.082 443 H CA 0.948 56.734 56.048 -0.437 0.000 1.342 443 H CB -0.086 29.634 29.762 -0.070 0.000 1.389 443 H HN 0.372 nan 8.280 nan 0.000 0.511 444 L N 0.431 121.569 121.223 -0.142 0.000 2.012 444 L HA -0.257 4.074 4.340 -0.015 0.000 0.210 444 L C 2.350 179.082 176.870 -0.229 0.000 1.073 444 L CA 1.405 56.160 54.840 -0.143 0.000 0.748 444 L CB -0.414 41.588 42.059 -0.096 0.000 0.891 444 L HN 0.460 nan 8.230 nan 0.000 0.431 445 C N -0.016 119.042 119.300 -0.403 0.000 2.432 445 C HA -0.189 4.262 4.460 -0.015 0.000 0.277 445 C C 2.652 177.387 174.990 -0.425 0.000 1.249 445 C CA 0.708 59.403 59.018 -0.537 0.000 1.725 445 C CB -0.787 26.223 27.740 -1.217 0.000 2.028 445 C HN 0.514 nan 8.230 nan 0.000 0.477 446 I N 1.419 121.691 120.570 -0.497 0.000 2.179 446 I HA -0.200 3.961 4.170 -0.015 0.000 0.242 446 I C 2.767 178.755 176.117 -0.215 0.000 1.088 446 I CA 1.657 62.723 61.300 -0.390 0.000 1.357 446 I CB -0.609 37.029 38.000 -0.604 0.000 1.051 446 I HN 0.271 nan 8.210 nan 0.000 0.409 447 A N 0.632 123.291 122.820 -0.269 0.000 1.933 447 A HA -0.113 4.198 4.320 -0.015 0.000 0.218 447 A C 2.228 179.884 177.584 0.119 0.000 1.175 447 A CA 1.932 53.859 52.037 -0.183 0.000 0.628 447 A CB -1.193 17.473 19.000 -0.558 0.000 0.814 447 A HN 0.486 nan 8.150 nan 0.000 0.444 448 G N -1.240 107.557 108.800 -0.005 0.000 3.284 448 G HA2 0.410 4.361 3.960 -0.015 0.000 0.236 448 G HA3 0.410 4.361 3.960 -0.015 0.000 0.236 448 G C 0.106 174.851 174.900 -0.258 0.000 1.158 448 G CA 0.505 45.481 45.100 -0.207 0.000 0.774 448 G HN 0.351 nan 8.290 nan 0.000 0.545 449 S N -0.283 115.323 115.700 -0.157 0.000 2.536 449 S HA 0.313 4.774 4.470 -0.015 0.000 0.298 449 S C 0.760 175.319 174.600 -0.067 0.000 1.083 449 S CA -0.706 57.428 58.200 -0.110 0.000 0.995 449 S CB 1.293 64.431 63.200 -0.103 0.000 1.058 449 S HN 0.500 nan 8.310 nan 0.000 0.488 450 H N 0.093 119.133 119.070 -0.049 0.000 2.548 450 H HA 0.446 4.993 4.556 -0.015 0.000 0.268 450 H C 0.160 175.486 175.328 -0.002 0.000 0.975 450 H CA 0.366 56.414 56.048 0.001 0.000 1.195 450 H CB 0.127 29.901 29.762 0.021 0.000 1.397 450 H HN 0.511 nan 8.280 nan 0.000 0.572 451 A N 1.020 123.543 122.820 -0.496 0.000 2.455 451 A HA 0.559 4.870 4.320 -0.015 0.000 0.300 451 A C -1.378 176.007 177.584 -0.332 0.000 1.040 451 A CA -0.585 51.213 52.037 -0.399 0.000 0.697 451 A CB 2.252 20.976 19.000 -0.460 0.000 1.265 451 A HN 0.097 nan 8.150 nan 0.000 0.407 452 V N 4.217 123.896 119.914 -0.392 0.000 2.531 452 V HA 0.539 4.650 4.120 -0.015 0.000 0.301 452 V C -0.759 175.139 176.094 -0.326 0.000 1.034 452 V CA -0.767 61.285 62.300 -0.413 0.000 0.865 452 V CB 1.787 33.186 31.823 -0.705 0.000 0.995 452 V HN 1.015 nan 8.190 nan 0.000 0.424 453 N N 3.142 121.668 118.700 -0.289 0.000 2.229 453 N HA 0.609 5.339 4.740 -0.015 0.000 0.298 453 N C -0.250 175.151 175.510 -0.182 0.000 1.114 453 N CA -0.386 52.540 53.050 -0.206 0.000 0.776 453 N CB 2.888 41.231 38.487 -0.240 0.000 1.501 453 N HN 0.627 nan 8.380 nan 0.000 0.474 454 G N -0.751 107.986 108.800 -0.104 0.000 2.537 454 G HA2 0.434 4.385 3.960 -0.015 0.000 0.297 454 G HA3 0.434 4.385 3.960 -0.015 0.000 0.297 454 G C 0.693 175.660 174.900 0.112 0.000 1.310 454 G CA -0.403 44.707 45.100 0.017 0.000 1.027 454 G HN 0.673 nan 8.290 nan 0.000 0.505 455 V N -4.109 115.985 119.914 0.300 0.000 3.346 455 V HA 0.713 4.823 4.120 -0.015 0.000 0.309 455 V C 0.470 176.645 176.094 0.135 0.000 1.457 455 V CA 0.395 62.781 62.300 0.143 0.000 1.069 455 V CB -0.577 31.282 31.823 0.060 0.000 0.944 455 V HN 1.376 nan 8.190 nan 0.000 0.449 456 A N 0.044 122.957 122.820 0.155 0.000 2.605 456 A HA 0.653 4.964 4.320 -0.015 0.000 0.294 456 A C 0.672 178.311 177.584 0.092 0.000 1.062 456 A CA -0.109 51.997 52.037 0.114 0.000 0.682 456 A CB 1.295 20.350 19.000 0.092 0.000 1.278 456 A HN 0.020 nan 8.150 nan 0.000 0.410 457 R N 0.887 121.418 120.500 0.052 0.000 2.091 457 R HA -0.132 4.199 4.340 -0.015 0.000 0.238 457 R C 1.563 177.862 176.300 -0.001 0.000 1.136 457 R CA 2.181 58.288 56.100 0.012 0.000 0.959 457 R CB -0.187 30.114 30.300 0.002 0.000 0.856 457 R HN 0.827 nan 8.270 nan 0.000 0.437 458 I N 0.281 120.859 120.570 0.015 0.000 2.315 458 I HA -0.286 3.875 4.170 -0.015 0.000 0.248 458 I C 2.340 178.467 176.117 0.016 0.000 1.117 458 I CA 1.713 63.014 61.300 0.001 0.000 1.404 458 I CB -0.219 37.780 38.000 -0.002 0.000 1.071 458 I HN 0.333 nan 8.210 nan 0.000 0.419 459 H N 0.340 119.382 119.070 -0.047 0.000 2.299 459 H HA -0.132 4.415 4.556 -0.015 0.000 0.302 459 H C 2.303 177.598 175.328 -0.054 0.000 1.078 459 H CA 2.236 58.252 56.048 -0.053 0.000 1.323 459 H CB -0.314 29.422 29.762 -0.042 0.000 1.381 459 H HN 0.210 nan 8.280 nan 0.000 0.498 460 S N 0.396 115.986 115.700 -0.182 0.000 2.383 460 S HA -0.154 4.306 4.470 -0.015 0.000 0.229 460 S C 1.924 176.408 174.600 -0.193 0.000 1.030 460 S CA 1.369 59.443 58.200 -0.209 0.000 1.002 460 S CB -0.122 63.023 63.200 -0.092 0.000 0.829 460 S HN 0.489 nan 8.310 nan 0.000 0.467 461 E N 1.089 121.196 120.200 -0.155 0.000 2.072 461 E HA -0.004 4.336 4.350 -0.015 0.000 0.191 461 E C 2.051 178.537 176.600 -0.190 0.000 0.985 461 E CA 0.643 56.939 56.400 -0.173 0.000 0.801 461 E CB -0.434 29.195 29.700 -0.117 0.000 0.750 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 I N 1.091 121.565 120.570 -0.160 0.000 2.264 462 I HA -0.296 3.865 4.170 -0.015 0.000 0.248 462 I C 2.390 178.378 176.117 -0.216 0.000 1.111 462 I CA 0.880 62.086 61.300 -0.157 0.000 1.382 462 I CB -0.266 37.672 38.000 -0.104 0.000 1.060 462 I HN 0.067 nan 8.210 nan 0.000 0.418 463 L N 0.317 121.379 121.223 -0.269 0.000 2.046 463 L HA -0.222 4.109 4.340 -0.015 0.000 0.208 463 L C 2.458 179.212 176.870 -0.194 0.000 1.077 463 L CA 1.585 56.288 54.840 -0.227 0.000 0.747 463 L CB -0.610 41.400 42.059 -0.083 0.000 0.896 463 L HN 0.216 nan 8.230 nan 0.000 0.432 464 K N -0.068 120.134 120.400 -0.331 0.000 2.296 464 K HA -0.087 4.224 4.320 -0.015 0.000 0.200 464 K C 1.934 178.320 176.600 -0.356 0.000 1.048 464 K CA 0.814 56.748 56.287 -0.589 0.000 0.966 464 K CB 0.102 31.963 32.500 -1.065 0.000 0.754 464 K HN 0.301 nan 8.250 nan 0.000 0.466 465 K N -0.062 120.194 120.400 -0.239 0.000 2.308 465 K HA 0.002 4.313 4.320 -0.015 0.000 0.197 465 K C 1.819 178.363 176.600 -0.093 0.000 1.049 465 K CA 1.210 57.413 56.287 -0.140 0.000 0.991 465 K CB 0.647 33.072 32.500 -0.124 0.000 0.836 465 K HN 0.226 nan 8.250 nan 0.000 0.500 466 T N -1.161 113.326 114.554 -0.112 0.000 3.257 466 T HA 0.066 4.407 4.350 -0.015 0.000 0.176 466 T C 1.959 176.605 174.700 -0.089 0.000 0.892 466 T CA -0.031 62.015 62.100 -0.090 0.000 1.147 466 T CB -0.783 68.025 68.868 -0.100 0.000 1.840 466 T HN 0.089 nan 8.240 nan 0.000 0.375 467 I N -0.752 119.698 120.570 -0.200 0.000 2.361 467 I HA 0.181 4.342 4.170 -0.015 0.000 0.251 467 I C 1.381 177.433 176.117 -0.109 0.000 1.133 467 I CA 1.435 62.573 61.300 -0.270 0.000 1.413 467 I CB -0.652 37.017 38.000 -0.552 0.000 1.073 467 I HN 0.256 nan 8.210 nan 0.000 0.424 468 F N 0.764 120.784 119.950 0.116 0.000 2.791 468 F HA 0.351 4.868 4.527 -0.015 0.000 0.308 468 F C 1.946 177.831 175.800 0.141 0.000 1.138 468 F CA -0.649 57.490 58.000 0.232 0.000 1.294 468 F CB 0.159 39.300 39.000 0.236 0.000 0.975 468 F HN -0.104 nan 8.300 nan 0.000 0.512 469 K N 1.047 121.560 120.400 0.188 0.000 2.044 469 K HA -0.206 4.105 4.320 -0.015 0.000 0.210 469 K C 1.362 178.019 176.600 0.095 0.000 1.049 469 K CA 2.141 58.482 56.287 0.091 0.000 0.927 469 K CB 0.001 32.519 32.500 0.031 0.000 0.713 469 K HN 0.166 nan 8.250 nan 0.000 0.443 470 D N -0.077 120.358 120.400 0.059 0.000 2.123 470 D HA -0.172 4.458 4.640 -0.015 0.000 0.196 470 D C 1.810 178.023 176.300 -0.145 0.000 0.992 470 D CA 1.303 55.207 54.000 -0.160 0.000 0.833 470 D CB -0.303 40.312 40.800 -0.309 0.000 0.954 470 D HN 0.250 nan 8.370 nan 0.000 0.455 471 F N -0.269 119.755 119.950 0.123 0.000 2.206 471 F HA -0.129 4.389 4.527 -0.015 0.000 0.298 471 F C 2.340 178.287 175.800 0.245 0.000 1.090 471 F CA 0.433 58.591 58.000 0.263 0.000 1.323 471 F CB -0.620 38.614 39.000 0.391 0.000 1.028 471 F HN -0.044 nan 8.300 nan 0.000 0.492 472 Y N 1.389 121.642 120.300 -0.078 0.000 2.181 472 Y HA -0.205 4.336 4.550 -0.015 0.000 0.288 472 Y C 2.124 177.997 175.900 -0.046 0.000 1.146 472 Y CA 1.659 59.523 58.100 -0.394 0.000 1.164 472 Y CB -0.606 37.450 38.460 -0.673 0.000 0.982 472 Y HN 0.123 nan 8.280 nan 0.000 0.515 473 E N -0.477 119.654 120.200 -0.116 0.000 2.150 473 E HA -0.178 4.163 4.350 -0.015 0.000 0.193 473 E C 1.987 178.650 176.600 0.106 0.000 0.985 473 E CA 1.104 57.458 56.400 -0.076 0.000 0.814 473 E CB -0.244 29.452 29.700 -0.007 0.000 0.752 473 E HN 0.425 nan 8.360 nan 0.000 0.466 474 L N 0.876 122.195 121.223 0.160 0.000 2.072 474 L HA -0.048 4.282 4.340 -0.015 0.000 0.205 474 L C 0.227 177.174 176.870 0.129 0.000 1.079 474 L CA 1.679 56.651 54.840 0.220 0.000 0.752 474 L CB 0.388 42.561 42.059 0.190 0.000 0.906 474 L HN -0.102 nan 8.230 nan 0.000 0.436 475 E N -0.378 119.892 120.200 0.116 0.000 3.386 475 E HA 0.175 4.516 4.350 -0.015 0.000 0.236 475 E C -1.998 174.549 176.600 -0.088 0.000 1.227 475 E CA -1.185 55.192 56.400 -0.038 0.000 0.970 475 E CB 0.792 30.472 29.700 -0.034 0.000 1.343 475 E HN 0.187 nan 8.360 nan 0.000 0.397 476 P HA -0.238 nan 4.420 nan 0.000 0.219 476 P C 1.175 178.587 177.300 0.188 0.000 1.146 476 P CA 1.345 64.351 63.100 -0.157 0.000 0.808 476 P CB -0.052 31.423 31.700 -0.374 0.000 0.779 477 H N 0.046 119.231 119.070 0.191 0.000 2.491 477 H HA 0.093 4.640 4.556 -0.015 0.000 0.290 477 H C 1.482 176.909 175.328 0.165 0.000 1.050 477 H CA 0.702 56.848 56.048 0.164 0.000 1.309 477 H CB -0.599 29.227 29.762 0.108 0.000 1.392 477 H HN 0.137 nan 8.280 nan 0.000 0.554 478 K N 0.368 120.683 120.400 -0.141 0.000 2.148 478 K HA 0.000 4.311 4.320 -0.015 0.000 0.204 478 K C -0.126 176.361 176.600 -0.189 0.000 1.050 478 K CA 0.492 56.682 56.287 -0.162 0.000 0.942 478 K CB 0.041 32.322 32.500 -0.365 0.000 0.724 478 K HN 0.118 nan 8.250 nan 0.000 0.446 479 F N 1.568 121.554 119.950 0.060 0.000 2.411 479 F HA 0.192 4.709 4.527 -0.016 0.000 0.350 479 F C 0.485 176.292 175.800 0.012 0.000 1.114 479 F CA -0.258 57.776 58.000 0.057 0.000 1.135 479 F CB 1.061 40.151 39.000 0.150 0.000 1.120 479 F HN -0.104 nan 8.300 nan 0.000 0.495 480 Q N 1.720 121.557 119.800 0.061 0.000 2.605 480 Q HA 0.351 4.682 4.340 -0.015 0.000 0.296 480 Q C -1.231 174.732 176.000 -0.061 0.000 1.056 480 Q CA -1.259 54.530 55.803 -0.023 0.000 0.778 480 Q CB 3.149 31.819 28.738 -0.113 0.000 1.497 480 Q HN 0.607 nan 8.270 nan 0.000 0.443 481 N N 0.752 119.397 118.700 -0.091 0.000 2.284 481 N HA 0.270 5.001 4.740 -0.015 0.000 0.300 481 N C -1.475 173.936 175.510 -0.164 0.000 1.047 481 N CA -0.372 52.620 53.050 -0.097 0.000 0.821 481 N CB 1.022 39.475 38.487 -0.056 0.000 1.337 481 N HN 0.288 nan 8.380 nan 0.000 0.482 482 K N 2.818 123.119 120.400 -0.165 0.000 2.675 482 K HA 0.183 4.494 4.320 -0.015 0.000 0.224 482 K C -0.902 175.710 176.600 0.020 0.000 1.003 482 K CA -0.498 55.671 56.287 -0.198 0.000 1.034 482 K CB 1.237 33.369 32.500 -0.613 0.000 1.218 482 K HN 0.528 nan 8.250 nan 0.000 0.507 483 T N 2.149 116.732 114.554 0.048 0.000 2.871 483 T HA 0.030 4.371 4.350 -0.015 0.000 0.296 483 T C 0.753 175.585 174.700 0.220 0.000 0.998 483 T CA 0.383 62.562 62.100 0.132 0.000 1.162 483 T CB 0.162 69.106 68.868 0.126 0.000 0.947 483 T HN 0.360 nan 8.240 nan 0.000 0.536 484 N N 0.810 119.662 118.700 0.254 0.000 2.307 484 N HA 0.346 5.077 4.740 -0.015 0.000 0.230 484 N C 0.506 176.207 175.510 0.319 0.000 1.297 484 N CA -0.113 53.118 53.050 0.303 0.000 0.884 484 N CB 0.381 38.981 38.487 0.188 0.000 1.115 484 N HN 0.751 nan 8.380 nan 0.000 0.436 485 G N -0.423 108.579 108.800 0.337 0.000 2.725 485 G HA2 0.643 4.594 3.960 -0.015 0.000 0.288 485 G HA3 0.643 4.594 3.960 -0.015 0.000 0.288 485 G C -1.241 173.793 174.900 0.223 0.000 1.399 485 G CA -0.744 44.533 45.100 0.295 0.000 0.859 485 G HN 0.603 nan 8.290 nan 0.000 0.479 486 I N -2.284 118.400 120.570 0.189 0.000 2.689 486 I HA 0.712 4.873 4.170 -0.015 0.000 0.299 486 I C -0.119 176.157 176.117 0.265 0.000 1.059 486 I CA -0.909 60.493 61.300 0.171 0.000 1.055 486 I CB 2.491 40.469 38.000 -0.037 0.000 1.243 486 I HN 0.450 nan 8.210 nan 0.000 0.425 487 T N 4.959 119.728 114.554 0.359 0.000 2.779 487 T HA 0.326 4.667 4.350 -0.015 0.000 0.296 487 T C -1.386 173.433 174.700 0.199 0.000 0.938 487 T CA -1.494 60.737 62.100 0.220 0.000 1.119 487 T CB 0.687 69.627 68.868 0.120 0.000 0.891 487 T HN 0.626 nan 8.240 nan 0.000 0.526 488 P HA 0.030 nan 4.420 nan 0.000 0.230 488 P C 1.156 178.422 177.300 -0.058 0.000 1.158 488 P CA 0.398 63.534 63.100 0.061 0.000 0.769 488 P CB 0.332 32.051 31.700 0.031 0.000 0.807 489 R N 0.370 120.785 120.500 -0.142 0.000 2.064 489 R HA -0.015 4.315 4.340 -0.015 0.000 0.228 489 R C 2.677 178.851 176.300 -0.209 0.000 1.144 489 R CA 1.584 57.554 56.100 -0.216 0.000 0.932 489 R CB -1.192 28.980 30.300 -0.213 0.000 0.833 489 R HN 0.054 nan 8.270 nan 0.000 0.429 490 R N -0.881 119.440 120.500 -0.298 0.000 2.081 490 R HA -0.124 4.207 4.340 -0.015 0.000 0.235 490 R C 1.102 177.052 176.300 -0.583 0.000 1.131 490 R CA 1.682 57.445 56.100 -0.562 0.000 0.960 490 R CB -0.146 29.611 30.300 -0.904 0.000 0.856 490 R HN 0.307 nan 8.270 nan 0.000 0.436 491 W N -0.534 120.719 121.300 -0.079 0.000 3.353 491 W HA 0.163 4.813 4.660 -0.016 0.000 0.304 491 W C 1.021 177.507 176.519 -0.054 0.000 1.273 491 W CA -0.706 56.593 57.345 -0.077 0.000 1.773 491 W CB 0.471 29.889 29.460 -0.070 0.000 1.095 491 W HN 0.211 nan 8.180 nan 0.000 0.676 492 L N -2.117 119.166 121.223 0.099 0.000 2.692 492 L HA 0.203 4.534 4.340 -0.015 0.000 0.175 492 L C 1.786 178.671 176.870 0.026 0.000 1.112 492 L CA 0.820 55.711 54.840 0.085 0.000 0.908 492 L CB -0.858 41.280 42.059 0.131 0.000 1.672 492 L HN -0.244 nan 8.230 nan 0.000 0.500 493 V N 1.050 120.954 119.914 -0.017 0.000 2.287 493 V HA -0.273 3.838 4.120 -0.015 0.000 0.248 493 V C 2.459 178.520 176.094 -0.054 0.000 1.053 493 V CA 2.492 64.770 62.300 -0.037 0.000 1.027 493 V CB -0.677 31.090 31.823 -0.093 0.000 0.646 493 V HN 0.514 nan 8.190 nan 0.000 0.447 494 L N 0.395 121.555 121.223 -0.105 0.000 2.023 494 L HA -0.165 4.166 4.340 -0.015 0.000 0.205 494 L C 2.493 179.295 176.870 -0.114 0.000 1.073 494 L CA 2.309 57.071 54.840 -0.129 0.000 0.745 494 L CB -0.236 41.694 42.059 -0.214 0.000 0.900 494 L HN 0.646 nan 8.230 nan 0.000 0.435 495 C N -1.775 117.453 119.300 -0.120 0.000 2.533 495 C HA 0.196 4.647 4.460 -0.015 0.000 0.272 495 C C 1.206 176.178 174.990 -0.030 0.000 1.371 495 C CA -0.313 58.654 59.018 -0.086 0.000 1.758 495 C CB -0.974 26.715 27.740 -0.084 0.000 1.972 495 C HN 0.571 nan 8.230 nan 0.000 0.522 496 N N 1.324 120.019 118.700 -0.010 0.000 2.765 496 N HA 0.302 5.033 4.740 -0.015 0.000 0.277 496 N C -1.812 173.709 175.510 0.018 0.000 1.750 496 N CA -1.664 51.393 53.050 0.011 0.000 0.827 496 N CB 0.865 39.369 38.487 0.029 0.000 1.200 496 N HN 0.258 nan 8.380 nan 0.000 0.494 497 P HA -0.034 nan 4.420 nan 0.000 0.217 497 P C 1.422 178.737 177.300 0.025 0.000 1.150 497 P CA 0.898 64.007 63.100 0.014 0.000 0.832 497 P CB 0.235 31.936 31.700 0.001 0.000 0.787 498 G N 0.703 109.513 108.800 0.016 0.000 2.476 498 G HA2 -0.263 3.688 3.960 -0.015 0.000 0.218 498 G HA3 -0.263 3.688 3.960 -0.015 0.000 0.218 498 G C 1.528 176.439 174.900 0.018 0.000 1.164 498 G CA 0.816 45.924 45.100 0.013 0.000 0.768 498 G HN 0.258 nan 8.290 nan 0.000 0.560 499 L N 1.184 122.420 121.223 0.022 0.000 2.072 499 L HA 0.302 4.633 4.340 -0.015 0.000 0.205 499 L C 3.062 179.969 176.870 0.062 0.000 1.079 499 L CA 1.925 56.780 54.840 0.024 0.000 0.752 499 L CB -0.740 41.332 42.059 0.022 0.000 0.906 499 L HN 0.229 nan 8.230 nan 0.000 0.436 500 A N -0.695 122.181 122.820 0.094 0.000 1.908 500 A HA -0.261 4.050 4.320 -0.015 0.000 0.218 500 A C 2.240 179.925 177.584 0.169 0.000 1.181 500 A CA 1.862 54.007 52.037 0.180 0.000 0.627 500 A CB -0.674 18.413 19.000 0.146 0.000 0.818 500 A HN 0.535 nan 8.150 nan 0.000 0.445 501 E N 0.620 120.878 120.200 0.096 0.000 2.028 501 E HA -0.166 4.175 4.350 -0.015 0.000 0.191 501 E C 1.867 178.510 176.600 0.071 0.000 0.988 501 E CA 1.641 58.087 56.400 0.076 0.000 0.799 501 E CB -0.531 29.195 29.700 0.044 0.000 0.755 501 E HN 0.732 nan 8.360 nan 0.000 0.447 502 I N -1.616 118.992 120.570 0.062 0.000 2.454 502 I HA -0.157 4.004 4.170 -0.015 0.000 0.254 502 I C 2.099 178.289 176.117 0.121 0.000 1.156 502 I CA 1.172 62.523 61.300 0.084 0.000 1.433 502 I CB -0.332 37.706 38.000 0.062 0.000 1.082 502 I HN 0.036 nan 8.210 nan 0.000 0.432 503 I N 1.856 122.471 120.570 0.075 0.000 2.233 503 I HA -0.145 4.015 4.170 -0.015 0.000 0.243 503 I C 2.979 179.040 176.117 -0.094 0.000 1.093 503 I CA 1.237 62.497 61.300 -0.067 0.000 1.380 503 I CB -0.458 37.378 38.000 -0.274 0.000 1.067 503 I HN 0.284 nan 8.210 nan 0.000 0.413 504 A N 0.382 123.249 122.820 0.079 0.000 1.972 504 A HA -0.210 4.101 4.320 -0.015 0.000 0.219 504 A C 2.157 179.772 177.584 0.051 0.000 1.169 504 A CA 1.496 53.631 52.037 0.163 0.000 0.635 504 A CB -0.557 18.572 19.000 0.215 0.000 0.810 504 A HN 0.439 nan 8.150 nan 0.000 0.446 505 E N -0.487 119.723 120.200 0.016 0.000 2.118 505 E HA -0.205 4.136 4.350 -0.015 0.000 0.195 505 E C 2.243 178.806 176.600 -0.061 0.000 0.992 505 E CA 1.249 57.644 56.400 -0.007 0.000 0.804 505 E CB -0.096 29.608 29.700 0.005 0.000 0.741 505 E HN 0.517 nan 8.360 nan 0.000 0.458 506 R N 0.227 120.625 120.500 -0.170 0.000 2.090 506 R HA 0.055 4.386 4.340 -0.015 0.000 0.219 506 R C 2.337 178.531 176.300 -0.176 0.000 1.100 506 R CA 0.907 56.825 56.100 -0.304 0.000 0.991 506 R CB -0.238 29.524 30.300 -0.897 0.000 0.893 506 R HN 0.337 nan 8.270 nan 0.000 0.443 507 I N -3.113 117.370 120.570 -0.145 0.000 4.154 507 I HA 0.427 4.588 4.170 -0.015 0.000 0.334 507 I C 0.442 176.589 176.117 0.050 0.000 1.371 507 I CA 0.098 61.369 61.300 -0.048 0.000 1.110 507 I CB 0.920 38.866 38.000 -0.091 0.000 1.085 507 I HN 0.175 nan 8.210 nan 0.000 0.398 508 G N 1.957 110.799 108.800 0.069 0.000 2.725 508 G HA2 -0.233 3.717 3.960 -0.015 0.000 0.220 508 G HA3 -0.233 3.717 3.960 -0.015 0.000 0.220 508 G C 0.007 175.030 174.900 0.206 0.000 1.357 508 G CA 0.246 45.410 45.100 0.107 0.000 0.866 508 G HN 0.425 nan 8.290 nan 0.000 0.548 509 E N -0.210 120.062 120.200 0.121 0.000 2.472 509 E HA 0.084 4.425 4.350 -0.015 0.000 0.196 509 E C 2.048 178.598 176.600 -0.084 0.000 1.033 509 E CA 0.292 56.707 56.400 0.026 0.000 0.886 509 E CB 0.168 29.877 29.700 0.016 0.000 0.944 509 E HN 0.615 nan 8.360 nan 0.000 0.492 510 E N 0.245 120.466 120.200 0.036 0.000 2.265 510 E HA -0.202 4.139 4.350 -0.015 0.000 0.196 510 E C 1.653 178.251 176.600 -0.003 0.000 0.996 510 E CA 0.970 57.385 56.400 0.026 0.000 0.832 510 E CB -0.095 29.644 29.700 0.065 0.000 0.756 510 E HN 0.489 nan 8.360 nan 0.000 0.491 511 Y N -0.826 119.477 120.300 0.005 0.000 2.421 511 Y HA -0.033 4.509 4.550 -0.014 0.000 0.292 511 Y C 1.786 177.662 175.900 -0.040 0.000 1.136 511 Y CA 0.475 58.569 58.100 -0.010 0.000 1.255 511 Y CB -0.549 37.907 38.460 -0.007 0.000 0.991 511 Y HN -0.076 nan 8.280 nan 0.000 0.552 512 I N 0.969 121.074 120.570 -0.775 0.000 2.454 512 I HA -0.223 3.938 4.170 -0.015 0.000 0.254 512 I C 1.676 177.527 176.117 -0.443 0.000 1.156 512 I CA 1.762 62.646 61.300 -0.694 0.000 1.433 512 I CB -0.366 37.124 38.000 -0.849 0.000 1.082 512 I HN 0.465 nan 8.210 nan 0.000 0.432 513 S N -2.044 113.510 115.700 -0.242 0.000 2.650 513 S HA 0.183 4.644 4.470 -0.015 0.000 0.240 513 S C 0.126 174.712 174.600 -0.022 0.000 1.007 513 S CA -0.478 57.664 58.200 -0.095 0.000 0.984 513 S CB 0.297 63.527 63.200 0.050 0.000 0.910 513 S HN 0.304 nan 8.310 nan 0.000 0.509 514 D N 0.610 121.004 120.400 -0.011 0.000 2.934 514 D HA 0.226 4.857 4.640 -0.015 0.000 0.249 514 D C 0.262 176.605 176.300 0.072 0.000 1.293 514 D CA -0.368 53.650 54.000 0.030 0.000 0.812 514 D CB 0.349 41.171 40.800 0.037 0.000 1.439 514 D HN 0.092 nan 8.370 nan 0.000 0.555 515 L N 1.192 122.458 121.223 0.071 0.000 2.353 515 L HA 0.026 4.357 4.340 -0.015 0.000 0.220 515 L C 1.387 178.311 176.870 0.090 0.000 1.133 515 L CA 1.491 56.404 54.840 0.122 0.000 0.798 515 L CB -0.036 42.088 42.059 0.108 0.000 0.922 515 L HN 0.273 nan 8.230 nan 0.000 0.445 516 D N -0.662 119.767 120.400 0.048 0.000 2.221 516 D HA -0.221 4.410 4.640 -0.015 0.000 0.204 516 D C 1.934 178.255 176.300 0.036 0.000 0.982 516 D CA 0.884 54.898 54.000 0.023 0.000 0.857 516 D CB 0.037 40.838 40.800 0.002 0.000 0.934 516 D HN 0.542 nan 8.370 nan 0.000 0.475 517 Q N 0.028 119.866 119.800 0.064 0.000 2.297 517 Q HA -0.093 4.238 4.340 -0.015 0.000 0.208 517 Q C 2.312 178.328 176.000 0.027 0.000 0.981 517 Q CA 0.341 56.182 55.803 0.064 0.000 0.876 517 Q CB -0.049 28.757 28.738 0.113 0.000 0.921 517 Q HN 0.400 nan 8.270 nan 0.000 0.446 518 L N 0.144 121.377 121.223 0.015 0.000 2.261 518 L HA -0.214 4.117 4.340 -0.015 0.000 0.216 518 L C 2.310 179.170 176.870 -0.017 0.000 1.114 518 L CA 0.934 55.745 54.840 -0.048 0.000 0.777 518 L CB -0.411 41.632 42.059 -0.028 0.000 0.910 518 L HN 0.239 nan 8.230 nan 0.000 0.440 519 R N 0.408 120.911 120.500 0.006 0.000 2.117 519 R HA -0.207 4.124 4.340 -0.015 0.000 0.243 519 R C 2.116 178.424 176.300 0.013 0.000 1.143 519 R CA 1.258 57.364 56.100 0.011 0.000 0.968 519 R CB -0.329 29.975 30.300 0.007 0.000 0.863 519 R HN 0.404 nan 8.270 nan 0.000 0.444 520 K N 0.667 121.074 120.400 0.012 0.000 2.286 520 K HA -0.143 4.168 4.320 -0.015 0.000 0.203 520 K C 1.911 178.563 176.600 0.087 0.000 1.045 520 K CA 0.962 57.270 56.287 0.036 0.000 0.935 520 K CB -0.161 32.361 32.500 0.037 0.000 0.737 520 K HN 0.261 nan 8.250 nan 0.000 0.460 521 L N 0.425 121.665 121.223 0.029 0.000 2.376 521 L HA -0.132 4.199 4.340 -0.015 0.000 0.219 521 L C 1.892 178.828 176.870 0.110 0.000 1.133 521 L CA 0.023 54.882 54.840 0.031 0.000 0.816 521 L CB -0.247 41.787 42.059 -0.042 0.000 0.933 521 L HN 0.126 nan 8.230 nan 0.000 0.449 522 L N 0.174 121.437 121.223 0.066 0.000 2.127 522 L HA -0.191 4.139 4.340 -0.015 0.000 0.211 522 L C 2.678 179.552 176.870 0.006 0.000 1.089 522 L CA 1.975 56.841 54.840 0.044 0.000 0.757 522 L CB -1.024 41.045 42.059 0.017 0.000 0.899 522 L HN 0.356 nan 8.230 nan 0.000 0.434 523 S N -2.742 112.927 115.700 -0.052 0.000 2.660 523 S HA -0.066 4.394 4.470 -0.015 0.000 0.223 523 S C 1.162 175.509 174.600 -0.422 0.000 0.963 523 S CA 0.210 58.276 58.200 -0.223 0.000 0.932 523 S CB -0.540 62.485 63.200 -0.292 0.000 0.775 523 S HN 0.469 nan 8.310 nan 0.000 0.531 524 Y N -0.695 119.539 120.300 -0.109 0.000 2.557 524 Y HA 0.422 4.970 4.550 -0.003 0.000 0.247 524 Y C 1.898 177.840 175.900 0.070 0.000 1.164 524 Y CA -0.553 57.479 58.100 -0.113 0.000 1.218 524 Y CB 0.258 38.434 38.460 -0.473 0.000 1.210 524 Y HN 0.248 nan 8.280 nan 0.000 0.529 525 V N 0.486 120.498 119.914 0.162 0.000 2.720 525 V HA -0.216 3.895 4.120 -0.015 0.000 0.256 525 V C 0.988 177.154 176.094 0.120 0.000 1.082 525 V CA 2.256 64.650 62.300 0.157 0.000 1.101 525 V CB -0.019 31.857 31.823 0.089 0.000 0.693 525 V HN 0.364 nan 8.190 nan 0.000 0.479 526 D N -0.898 119.551 120.400 0.081 0.000 2.398 526 D HA 0.093 4.724 4.640 -0.015 0.000 0.210 526 D C 0.504 176.851 176.300 0.077 0.000 1.094 526 D CA -0.004 54.031 54.000 0.059 0.000 0.839 526 D CB 0.101 40.912 40.800 0.018 0.000 0.963 526 D HN 0.450 nan 8.370 nan 0.000 0.506 527 D N 1.573 122.053 120.400 0.133 0.000 2.338 527 D HA -0.034 4.597 4.640 -0.015 0.000 0.255 527 D C 1.090 177.502 176.300 0.186 0.000 1.237 527 D CA 0.061 54.163 54.000 0.169 0.000 0.883 527 D CB 1.613 42.583 40.800 0.283 0.000 1.087 527 D HN -0.157 nan 8.370 nan 0.000 0.485 528 E N 3.290 123.561 120.200 0.119 0.000 2.106 528 E HA -0.132 4.209 4.350 -0.015 0.000 0.192 528 E C 1.768 178.426 176.600 0.096 0.000 0.984 528 E CA 1.337 57.791 56.400 0.089 0.000 0.806 528 E CB 0.007 29.741 29.700 0.057 0.000 0.750 528 E HN 0.589 nan 8.360 nan 0.000 0.458 529 A N -0.244 122.649 122.820 0.122 0.000 1.898 529 A HA -0.138 4.173 4.320 -0.015 0.000 0.216 529 A C 2.206 179.879 177.584 0.149 0.000 1.181 529 A CA 1.307 53.413 52.037 0.115 0.000 0.620 529 A CB -0.940 18.131 19.000 0.119 0.000 0.819 529 A HN 0.453 nan 8.150 nan 0.000 0.442 530 F N 0.403 120.380 119.950 0.044 0.000 2.134 530 F HA -0.147 4.371 4.527 -0.014 0.000 0.299 530 F C 2.031 177.844 175.800 0.022 0.000 1.097 530 F CA 1.612 59.625 58.000 0.022 0.000 1.264 530 F CB -0.125 38.904 39.000 0.049 0.000 1.001 530 F HN 0.167 nan 8.300 nan 0.000 0.479 531 I N 0.262 120.852 120.570 0.032 0.000 2.151 531 I HA -0.384 3.776 4.170 -0.015 0.000 0.243 531 I C 2.628 178.683 176.117 -0.103 0.000 1.080 531 I CA 1.781 63.045 61.300 -0.058 0.000 1.339 531 I CB -0.552 37.467 38.000 0.031 0.000 1.039 531 I HN 0.101 nan 8.210 nan 0.000 0.409 532 R N 0.743 121.213 120.500 -0.050 0.000 2.091 532 R HA -0.211 4.120 4.340 -0.015 0.000 0.238 532 R C 1.869 178.118 176.300 -0.086 0.000 1.136 532 R CA 2.056 58.127 56.100 -0.049 0.000 0.959 532 R CB -0.142 30.150 30.300 -0.014 0.000 0.856 532 R HN 0.330 nan 8.270 nan 0.000 0.437 533 D N -0.432 119.895 120.400 -0.121 0.000 2.103 533 D HA -0.107 4.524 4.640 -0.015 0.000 0.199 533 D C 1.966 178.134 176.300 -0.221 0.000 0.978 533 D CA 1.119 55.033 54.000 -0.143 0.000 0.829 533 D CB -0.226 40.510 40.800 -0.106 0.000 0.981 533 D HN 0.056 nan 8.370 nan 0.000 0.464 534 V N 1.610 121.287 119.914 -0.395 0.000 2.252 534 V HA -0.281 3.829 4.120 -0.015 0.000 0.249 534 V C 2.535 178.535 176.094 -0.156 0.000 1.056 534 V CA 2.059 64.152 62.300 -0.345 0.000 1.022 534 V CB -0.884 30.657 31.823 -0.470 0.000 0.641 534 V HN 0.201 nan 8.190 nan 0.000 0.445 535 A N -0.627 122.121 122.820 -0.120 0.000 1.972 535 A HA -0.263 4.048 4.320 -0.015 0.000 0.219 535 A C 2.336 179.882 177.584 -0.064 0.000 1.169 535 A CA 2.178 54.178 52.037 -0.061 0.000 0.635 535 A CB -0.454 18.514 19.000 -0.054 0.000 0.810 535 A HN 0.569 nan 8.150 nan 0.000 0.446 536 K N -0.374 119.983 120.400 -0.072 0.000 2.031 536 K HA -0.047 4.263 4.320 -0.015 0.000 0.205 536 K C 1.800 178.371 176.600 -0.048 0.000 1.049 536 K CA 1.386 57.640 56.287 -0.056 0.000 0.939 536 K CB -0.251 32.219 32.500 -0.050 0.000 0.717 536 K HN 0.183 nan 8.250 nan 0.000 0.438 537 V N 1.895 121.776 119.914 -0.055 0.000 2.332 537 V HA -0.270 3.841 4.120 -0.015 0.000 0.248 537 V C 2.382 178.460 176.094 -0.027 0.000 1.055 537 V CA 2.053 64.330 62.300 -0.038 0.000 1.038 537 V CB -0.493 31.303 31.823 -0.045 0.000 0.651 537 V HN 0.363 nan 8.190 nan 0.000 0.450 538 K N 0.506 120.888 120.400 -0.030 0.000 2.002 538 K HA -0.234 4.077 4.320 -0.015 0.000 0.209 538 K C 2.195 178.763 176.600 -0.053 0.000 1.048 538 K CA 1.953 58.227 56.287 -0.021 0.000 0.930 538 K CB -0.602 31.902 32.500 0.007 0.000 0.714 538 K HN 0.384 nan 8.250 nan 0.000 0.438 539 Q N 1.004 120.765 119.800 -0.065 0.000 2.124 539 Q HA -0.122 4.209 4.340 -0.015 0.000 0.202 539 Q C 1.706 177.675 176.000 -0.051 0.000 0.977 539 Q CA 1.930 57.683 55.803 -0.084 0.000 0.850 539 Q CB -0.112 28.581 28.738 -0.074 0.000 0.901 539 Q HN 0.510 nan 8.270 nan 0.000 0.429 540 E N -0.460 119.724 120.200 -0.027 0.000 2.051 540 E HA -0.178 4.163 4.350 -0.015 0.000 0.192 540 E C 1.758 178.371 176.600 0.022 0.000 0.991 540 E CA 1.108 57.507 56.400 -0.002 0.000 0.799 540 E CB -0.106 29.593 29.700 -0.002 0.000 0.748 540 E HN 0.434 nan 8.360 nan 0.000 0.449 541 N N 0.972 119.683 118.700 0.019 0.000 2.120 541 N HA -0.140 4.591 4.740 -0.015 0.000 0.188 541 N C 1.537 177.112 175.510 0.108 0.000 1.024 541 N CA 1.065 54.148 53.050 0.056 0.000 0.852 541 N CB -0.125 38.382 38.487 0.034 0.000 1.003 541 N HN 0.137 nan 8.380 nan 0.000 0.424 542 K N 0.483 120.894 120.400 0.017 0.000 2.097 542 K HA 0.021 4.332 4.320 -0.015 0.000 0.205 542 K C 2.077 178.758 176.600 0.135 0.000 1.050 542 K CA 0.640 56.910 56.287 -0.027 0.000 0.938 542 K CB -0.108 32.096 32.500 -0.493 0.000 0.718 542 K HN 0.117 nan 8.250 nan 0.000 0.442 543 L N 1.021 122.285 121.223 0.070 0.000 2.072 543 L HA -0.143 4.188 4.340 -0.015 0.000 0.205 543 L C 2.577 179.523 176.870 0.128 0.000 1.079 543 L CA 1.164 56.057 54.840 0.089 0.000 0.752 543 L CB -0.264 41.819 42.059 0.041 0.000 0.906 543 L HN 0.120 nan 8.230 nan 0.000 0.436 544 K N -0.317 120.165 120.400 0.137 0.000 2.097 544 K HA -0.222 4.089 4.320 -0.015 0.000 0.206 544 K C 2.172 178.911 176.600 0.233 0.000 1.049 544 K CA 1.549 57.927 56.287 0.151 0.000 0.933 544 K CB -0.079 32.498 32.500 0.127 0.000 0.717 544 K HN 0.105 nan 8.250 nan 0.000 0.442 545 F N 1.017 121.064 119.950 0.160 0.000 2.234 545 F HA -0.004 4.514 4.527 -0.015 0.000 0.296 545 F C 1.996 177.949 175.800 0.256 0.000 1.089 545 F CA 1.075 59.207 58.000 0.220 0.000 1.343 545 F CB -0.343 38.801 39.000 0.239 0.000 1.040 545 F HN 0.019 nan 8.300 nan 0.000 0.498 546 A N 0.330 123.304 122.820 0.257 0.000 1.978 546 A HA -0.103 4.207 4.320 -0.015 0.000 0.220 546 A C 2.372 179.949 177.584 -0.011 0.000 1.170 546 A CA 1.805 53.915 52.037 0.122 0.000 0.636 546 A CB -1.459 17.677 19.000 0.228 0.000 0.810 546 A HN 0.465 nan 8.150 nan 0.000 0.448 547 A N -1.760 121.077 122.820 0.028 0.000 1.929 547 A HA -0.031 4.280 4.320 -0.015 0.000 0.216 547 A C 2.104 179.670 177.584 -0.030 0.000 1.176 547 A CA 1.420 53.455 52.037 -0.004 0.000 0.628 547 A CB -0.733 18.289 19.000 0.036 0.000 0.816 547 A HN 0.717 nan 8.150 nan 0.000 0.444 548 Y N 0.512 120.728 120.300 -0.140 0.000 2.224 548 Y HA -0.156 4.385 4.550 -0.015 0.000 0.289 548 Y C 1.933 177.714 175.900 -0.198 0.000 1.146 548 Y CA 1.747 59.750 58.100 -0.162 0.000 1.182 548 Y CB -0.178 38.190 38.460 -0.154 0.000 0.983 548 Y HN 0.214 nan 8.280 nan 0.000 0.524 549 L N -0.026 121.031 121.223 -0.275 0.000 2.017 549 L HA -0.216 4.115 4.340 -0.015 0.000 0.208 549 L C 2.441 179.209 176.870 -0.171 0.000 1.073 549 L CA 1.747 56.449 54.840 -0.229 0.000 0.745 549 L CB -0.549 41.352 42.059 -0.263 0.000 0.894 549 L HN 0.320 nan 8.230 nan 0.000 0.432 550 E N -0.243 119.846 120.200 -0.185 0.000 2.031 550 E HA -0.262 4.079 4.350 -0.015 0.000 0.193 550 E C 2.285 178.779 176.600 -0.177 0.000 0.994 550 E CA 1.076 57.365 56.400 -0.184 0.000 0.800 550 E CB -0.114 29.452 29.700 -0.223 0.000 0.752 550 E HN 0.330 nan 8.360 nan 0.000 0.447 551 R N 0.751 121.128 120.500 -0.205 0.000 2.081 551 R HA -0.175 4.155 4.340 -0.015 0.000 0.235 551 R C 1.618 177.739 176.300 -0.299 0.000 1.131 551 R CA 1.540 57.516 56.100 -0.208 0.000 0.960 551 R CB 0.113 30.309 30.300 -0.173 0.000 0.856 551 R HN -0.016 nan 8.270 nan 0.000 0.436 552 E N -2.054 117.846 120.200 -0.500 0.000 2.460 552 E HA 0.034 4.375 4.350 -0.015 0.000 0.200 552 E C -0.224 175.866 176.600 -0.849 0.000 1.011 552 E CA 0.386 56.349 56.400 -0.728 0.000 0.912 552 E CB 0.661 29.695 29.700 -1.111 0.000 0.953 552 E HN 0.341 nan 8.360 nan 0.000 0.494 553 Y N -0.480 119.682 120.300 -0.230 0.000 2.791 553 Y HA 0.256 4.796 4.550 -0.015 0.000 0.263 553 Y C -0.245 175.610 175.900 -0.076 0.000 1.089 553 Y CA -0.765 57.261 58.100 -0.123 0.000 1.253 553 Y CB 0.807 39.202 38.460 -0.109 0.000 1.360 553 Y HN -0.283 nan 8.280 nan 0.000 0.569 554 K N 1.002 121.408 120.400 0.010 0.000 3.311 554 K HA -0.132 4.178 4.320 -0.015 0.000 0.270 554 K C -0.577 176.077 176.600 0.090 0.000 0.927 554 K CA 0.915 57.220 56.287 0.031 0.000 0.706 554 K CB -1.934 30.595 32.500 0.048 0.000 1.418 554 K HN 0.275 nan 8.250 nan 0.000 0.459 555 V N -2.165 117.776 119.914 0.046 0.000 2.656 555 V HA 0.528 4.639 4.120 -0.015 0.000 0.307 555 V C -0.053 176.056 176.094 0.026 0.000 1.051 555 V CA -1.079 61.273 62.300 0.086 0.000 0.893 555 V CB 2.046 33.894 31.823 0.041 0.000 0.999 555 V HN 0.280 nan 8.190 nan 0.000 0.426 556 H N 4.908 123.967 119.070 -0.019 0.000 2.594 556 H HA 0.775 5.322 4.556 -0.015 0.000 0.304 556 H C 0.010 175.329 175.328 -0.014 0.000 1.068 556 H CA -0.108 55.933 56.048 -0.012 0.000 1.308 556 H CB 1.254 31.012 29.762 -0.007 0.000 1.409 556 H HN 0.938 nan 8.280 nan 0.000 0.460 557 I N -0.234 120.372 120.570 0.061 0.000 2.730 557 I HA 0.458 4.618 4.170 -0.015 0.000 0.298 557 I C -0.336 175.850 176.117 0.115 0.000 1.089 557 I CA -1.379 59.961 61.300 0.066 0.000 1.041 557 I CB 2.175 40.186 38.000 0.018 0.000 1.235 557 I HN 0.285 nan 8.210 nan 0.000 0.423 558 N N 5.974 124.750 118.700 0.127 0.000 2.420 558 N HA 0.339 5.070 4.740 -0.015 0.000 0.262 558 N C -1.961 173.689 175.510 0.234 0.000 1.144 558 N CA -2.185 50.950 53.050 0.141 0.000 0.952 558 N CB 0.928 39.476 38.487 0.102 0.000 1.081 558 N HN 0.416 nan 8.380 nan 0.000 0.480 559 P HA 0.067 nan 4.420 nan 0.000 0.245 559 P C 0.221 177.507 177.300 -0.023 0.000 1.212 559 P CA 0.695 63.876 63.100 0.134 0.000 0.774 559 P CB 0.252 32.001 31.700 0.081 0.000 0.999 560 N N -0.543 118.182 118.700 0.041 0.000 2.422 560 N HA 0.021 4.751 4.740 -0.015 0.000 0.181 560 N C 0.485 176.039 175.510 0.074 0.000 1.080 560 N CA 0.101 53.168 53.050 0.028 0.000 0.893 560 N CB 0.208 38.720 38.487 0.041 0.000 0.973 560 N HN 0.201 nan 8.380 nan 0.000 0.456 561 S N 0.592 116.352 115.700 0.100 0.000 2.600 561 S HA 0.161 4.622 4.470 -0.015 0.000 0.265 561 S C 0.192 174.780 174.600 -0.020 0.000 1.325 561 S CA -0.697 57.546 58.200 0.072 0.000 1.002 561 S CB 1.266 64.530 63.200 0.107 0.000 0.921 561 S HN 0.186 nan 8.310 nan 0.000 0.554 562 L N 2.084 123.101 121.223 -0.343 0.000 2.462 562 L HA 0.315 4.646 4.340 -0.015 0.000 0.272 562 L C -0.769 176.074 176.870 -0.045 0.000 1.166 562 L CA -0.377 54.062 54.840 -0.668 0.000 0.880 562 L CB -0.200 41.183 42.059 -1.127 0.000 1.142 562 L HN 0.705 nan 8.230 nan 0.000 0.473 563 F N 4.276 124.085 119.950 -0.236 0.000 2.405 563 F HA 0.096 4.615 4.527 -0.014 0.000 0.358 563 F C 0.445 176.172 175.800 -0.122 0.000 1.151 563 F CA -0.796 57.136 58.000 -0.112 0.000 1.161 563 F CB 0.509 39.491 39.000 -0.030 0.000 1.245 563 F HN 0.511 nan 8.300 nan 0.000 0.545 564 D N 5.050 125.433 120.400 -0.027 0.000 2.428 564 D HA 0.227 4.858 4.640 -0.015 0.000 0.221 564 D C -0.979 175.249 176.300 -0.120 0.000 1.123 564 D CA -0.090 53.854 54.000 -0.093 0.000 0.869 564 D CB 1.255 41.987 40.800 -0.114 0.000 1.032 564 D HN 0.267 nan 8.370 nan 0.000 0.506 565 V N 2.262 122.089 119.914 -0.145 0.000 2.604 565 V HA 0.589 4.700 4.120 -0.015 0.000 0.305 565 V C -1.185 174.751 176.094 -0.262 0.000 1.043 565 V CA -0.722 61.477 62.300 -0.169 0.000 0.888 565 V CB 1.866 33.644 31.823 -0.075 0.000 0.995 565 V HN 0.501 nan 8.190 nan 0.000 0.429 566 Q N 4.195 123.860 119.800 -0.225 0.000 2.394 566 Q HA 0.651 4.982 4.340 -0.015 0.000 0.261 566 Q C -1.401 174.435 176.000 -0.274 0.000 1.023 566 Q CA -0.645 55.015 55.803 -0.239 0.000 0.720 566 Q CB 1.872 30.498 28.738 -0.186 0.000 1.241 566 Q HN 1.164 nan 8.270 nan 0.000 0.483 567 V N 1.986 121.727 119.914 -0.287 0.000 2.444 567 V HA 0.850 4.960 4.120 -0.015 0.000 0.294 567 V C -0.820 175.005 176.094 -0.450 0.000 1.022 567 V CA -0.540 61.392 62.300 -0.613 0.000 0.850 567 V CB 1.193 32.388 31.823 -1.046 0.000 0.992 567 V HN 0.806 nan 8.190 nan 0.000 0.426 568 K N 2.555 122.744 120.400 -0.351 0.000 2.931 568 K HA 0.411 4.722 4.320 -0.015 0.000 0.292 568 K C -1.288 175.335 176.600 0.039 0.000 1.077 568 K CA -1.128 55.144 56.287 -0.025 0.000 0.829 568 K CB 0.910 33.386 32.500 -0.040 0.000 1.488 568 K HN 0.441 nan 8.250 nan 0.000 0.358 569 R N 0.934 121.515 120.500 0.135 0.000 2.640 569 R HA 0.169 4.500 4.340 -0.015 0.000 0.270 569 R C 0.360 176.674 176.300 0.023 0.000 1.024 569 R CA -0.315 55.863 56.100 0.131 0.000 1.085 569 R CB -0.191 30.254 30.300 0.242 0.000 0.963 569 R HN 0.470 nan 8.270 nan 0.000 0.426 570 I N 4.450 124.971 120.570 -0.080 0.000 2.505 570 I HA 0.080 4.241 4.170 -0.015 0.000 0.287 570 I C 0.367 176.238 176.117 -0.411 0.000 1.104 570 I CA 0.396 61.586 61.300 -0.183 0.000 1.387 570 I CB -0.537 37.370 38.000 -0.155 0.000 1.404 570 I HN 0.436 nan 8.210 nan 0.000 0.528 571 H N 2.996 121.948 119.070 -0.195 0.000 3.012 571 H HA 0.239 4.786 4.556 -0.015 0.000 0.367 571 H C 0.541 175.725 175.328 -0.241 0.000 1.211 571 H CA -0.567 55.392 56.048 -0.148 0.000 1.139 571 H CB 1.868 31.457 29.762 -0.287 0.000 1.838 571 H HN 0.478 nan 8.280 nan 0.000 0.550 572 E N 0.893 121.116 120.200 0.039 0.000 2.110 572 E HA -0.231 4.110 4.350 -0.015 0.000 0.193 572 E C 1.223 177.533 176.600 -0.484 0.000 0.988 572 E CA 1.404 57.757 56.400 -0.079 0.000 0.804 572 E CB 0.028 29.869 29.700 0.235 0.000 0.745 572 E HN 0.641 nan 8.360 nan 0.000 0.458 573 Y N 0.946 120.687 120.300 -0.931 0.000 2.352 573 Y HA -0.021 4.520 4.550 -0.015 0.000 0.292 573 Y C 1.534 177.173 175.900 -0.435 0.000 1.136 573 Y CA 0.873 58.280 58.100 -1.155 0.000 1.227 573 Y CB -0.145 37.702 38.460 -1.022 0.000 0.991 573 Y HN -0.217 nan 8.280 nan 0.000 0.545 574 K N 0.719 120.657 120.400 -0.770 0.000 2.439 574 K HA 0.040 4.351 4.320 -0.015 0.000 0.197 574 K C 0.178 176.616 176.600 -0.271 0.000 1.041 574 K CA 0.609 56.583 56.287 -0.523 0.000 0.970 574 K CB -0.074 32.112 32.500 -0.524 0.000 0.773 574 K HN 0.271 nan 8.250 nan 0.000 0.479 575 R N 0.310 120.671 120.500 -0.233 0.000 3.422 575 R HA -0.242 4.089 4.340 -0.015 0.000 0.267 575 R C 0.336 176.553 176.300 -0.138 0.000 1.074 575 R CA 0.283 56.295 56.100 -0.145 0.000 0.718 575 R CB -1.957 28.278 30.300 -0.109 0.000 1.157 575 R HN 0.314 nan 8.270 nan 0.000 0.440 576 Q N 0.359 120.075 119.800 -0.139 0.000 2.248 576 Q HA -0.107 4.224 4.340 -0.015 0.000 0.208 576 Q C 2.038 177.983 176.000 -0.090 0.000 0.984 576 Q CA 1.636 57.371 55.803 -0.113 0.000 0.875 576 Q CB -0.035 28.639 28.738 -0.106 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.640 120.532 121.223 -0.084 0.000 2.141 577 L HA -0.168 4.162 4.340 -0.015 0.000 0.209 577 L C 2.024 178.889 176.870 -0.008 0.000 1.094 577 L CA 0.493 55.299 54.840 -0.058 0.000 0.763 577 L CB -0.320 41.716 42.059 -0.037 0.000 0.908 577 L HN 0.311 nan 8.230 nan 0.000 0.437 578 L N -0.072 121.135 121.223 -0.025 0.000 2.056 578 L HA -0.213 4.118 4.340 -0.015 0.000 0.207 578 L C 2.004 178.897 176.870 0.039 0.000 1.078 578 L CA 1.852 56.681 54.840 -0.017 0.000 0.749 578 L CB -0.814 41.131 42.059 -0.190 0.000 0.901 578 L HN 0.266 nan 8.230 nan 0.000 0.433 579 N N -1.547 117.146 118.700 -0.012 0.000 2.069 579 N HA -0.249 4.482 4.740 -0.015 0.000 0.191 579 N C 1.958 177.550 175.510 0.136 0.000 1.031 579 N CA 1.731 54.867 53.050 0.143 0.000 0.852 579 N CB -0.170 38.337 38.487 0.033 0.000 1.018 579 N HN 0.501 nan 8.380 nan 0.000 0.423 580 C N 0.599 119.911 119.300 0.020 0.000 2.401 580 C HA -0.104 4.347 4.460 -0.015 0.000 0.276 580 C C 2.598 177.577 174.990 -0.017 0.000 1.233 580 C CA 0.457 59.441 59.018 -0.056 0.000 1.753 580 C CB -1.276 26.378 27.740 -0.143 0.000 2.029 580 C HN 0.506 nan 8.230 nan 0.000 0.478 581 L N -0.440 120.837 121.223 0.090 0.000 2.046 581 L HA -0.187 4.144 4.340 -0.015 0.000 0.208 581 L C 2.765 179.798 176.870 0.272 0.000 1.077 581 L CA 1.842 56.787 54.840 0.175 0.000 0.747 581 L CB -1.107 41.125 42.059 0.288 0.000 0.896 581 L HN 0.590 nan 8.230 nan 0.000 0.432 582 H N 0.076 119.270 119.070 0.208 0.000 2.321 582 H HA -0.138 4.409 4.556 -0.015 0.000 0.300 582 H C 2.232 177.558 175.328 -0.004 0.000 1.087 582 H CA 1.933 58.017 56.048 0.060 0.000 1.319 582 H CB 0.280 30.009 29.762 -0.054 0.000 1.379 582 H HN 0.087 nan 8.280 nan 0.000 0.501 583 V N 1.588 121.421 119.914 -0.136 0.000 2.287 583 V HA -0.283 3.827 4.120 -0.015 0.000 0.248 583 V C 2.863 178.883 176.094 -0.123 0.000 1.053 583 V CA 1.984 64.165 62.300 -0.198 0.000 1.027 583 V CB -0.537 31.222 31.823 -0.106 0.000 0.646 583 V HN 0.387 nan 8.190 nan 0.000 0.447 584 I N -0.285 120.247 120.570 -0.062 0.000 2.315 584 I HA -0.218 3.943 4.170 -0.015 0.000 0.248 584 I C 2.509 178.678 176.117 0.088 0.000 1.117 584 I CA 1.703 63.031 61.300 0.047 0.000 1.404 584 I CB -0.686 37.306 38.000 -0.013 0.000 1.071 584 I HN 0.325 nan 8.210 nan 0.000 0.419 585 T N 1.250 115.816 114.554 0.019 0.000 2.652 585 T HA -0.178 4.163 4.350 -0.015 0.000 0.267 585 T C 1.884 176.536 174.700 -0.079 0.000 1.039 585 T CA 1.307 63.411 62.100 0.005 0.000 1.153 585 T CB -0.314 68.585 68.868 0.052 0.000 0.863 585 T HN 0.078 nan 8.240 nan 0.000 0.428 586 L N 0.097 121.196 121.223 -0.206 0.000 2.012 586 L HA -0.057 4.274 4.340 -0.015 0.000 0.210 586 L C 2.120 178.945 176.870 -0.075 0.000 1.073 586 L CA 1.629 56.347 54.840 -0.203 0.000 0.748 586 L CB -1.091 40.773 42.059 -0.324 0.000 0.891 586 L HN 0.365 nan 8.230 nan 0.000 0.431 587 Y N 0.318 120.550 120.300 -0.113 0.000 2.097 587 Y HA -0.317 4.223 4.550 -0.015 0.000 0.282 587 Y C 2.471 178.352 175.900 -0.033 0.000 1.152 587 Y CA 2.002 60.078 58.100 -0.040 0.000 1.136 587 Y CB -0.148 38.335 38.460 0.038 0.000 0.975 587 Y HN 0.294 nan 8.280 nan 0.000 0.498 588 N N 0.428 119.081 118.700 -0.078 0.000 2.166 588 N HA -0.148 4.583 4.740 -0.015 0.000 0.186 588 N C 1.859 177.259 175.510 -0.183 0.000 1.019 588 N CA 1.533 54.477 53.050 -0.177 0.000 0.856 588 N CB -0.395 38.052 38.487 -0.066 0.000 0.993 588 N HN 0.443 nan 8.380 nan 0.000 0.426 589 R N 0.480 120.900 120.500 -0.134 0.000 2.081 589 R HA 0.032 4.363 4.340 -0.015 0.000 0.235 589 R C 2.268 178.483 176.300 -0.142 0.000 1.131 589 R CA 0.863 56.891 56.100 -0.120 0.000 0.960 589 R CB -0.304 29.935 30.300 -0.101 0.000 0.856 589 R HN 0.233 nan 8.270 nan 0.000 0.436 590 I N 0.985 121.450 120.570 -0.175 0.000 2.142 590 I HA -0.298 3.863 4.170 -0.015 0.000 0.240 590 I C 2.151 178.148 176.117 -0.200 0.000 1.078 590 I CA 1.264 62.458 61.300 -0.176 0.000 1.343 590 I CB -0.227 37.672 38.000 -0.168 0.000 1.046 590 I HN 0.024 nan 8.210 nan 0.000 0.405 591 K N 0.849 121.062 120.400 -0.311 0.000 2.152 591 K HA -0.207 4.104 4.320 -0.015 0.000 0.206 591 K C 2.021 178.523 176.600 -0.164 0.000 1.048 591 K CA 1.295 57.418 56.287 -0.274 0.000 0.933 591 K CB -0.352 31.911 32.500 -0.396 0.000 0.721 591 K HN 0.338 nan 8.250 nan 0.000 0.447 592 K N 0.954 121.265 120.400 -0.149 0.000 2.031 592 K HA -0.083 4.228 4.320 -0.015 0.000 0.205 592 K C 0.094 176.648 176.600 -0.077 0.000 1.049 592 K CA 1.090 57.316 56.287 -0.101 0.000 0.939 592 K CB 0.302 32.746 32.500 -0.093 0.000 0.717 592 K HN 0.112 nan 8.250 nan 0.000 0.438 593 E N 0.008 120.161 120.200 -0.079 0.000 3.037 593 E HA 0.115 4.456 4.350 -0.015 0.000 0.220 593 E C -2.322 174.244 176.600 -0.058 0.000 1.142 593 E CA -1.572 54.795 56.400 -0.056 0.000 0.888 593 E CB 1.706 31.379 29.700 -0.044 0.000 1.329 593 E HN 0.116 nan 8.360 nan 0.000 0.409 594 P HA -0.125 nan 4.420 nan 0.000 0.218 594 P C 0.206 177.488 177.300 -0.029 0.000 1.149 594 P CA 1.160 64.228 63.100 -0.053 0.000 0.817 594 P CB 0.193 31.866 31.700 -0.045 0.000 0.785 595 N N -1.204 117.487 118.700 -0.014 0.000 2.276 595 N HA 0.030 4.761 4.740 -0.015 0.000 0.212 595 N C 0.484 176.009 175.510 0.026 0.000 1.127 595 N CA -0.102 52.952 53.050 0.007 0.000 0.834 595 N CB 0.131 38.622 38.487 0.007 0.000 1.014 595 N HN -0.004 nan 8.380 nan 0.000 0.491 596 K N 1.119 121.529 120.400 0.015 0.000 2.130 596 K HA 0.176 4.486 4.320 -0.015 0.000 0.268 596 K C -0.914 175.725 176.600 0.065 0.000 0.983 596 K CA -0.649 55.662 56.287 0.041 0.000 0.893 596 K CB 0.808 33.313 32.500 0.009 0.000 1.066 596 K HN -0.050 nan 8.250 nan 0.000 0.450 597 F N 4.425 124.362 119.950 -0.020 0.000 2.495 597 F HA 0.160 4.678 4.527 -0.015 0.000 0.365 597 F C -0.290 175.497 175.800 -0.021 0.000 1.090 597 F CA -0.122 57.868 58.000 -0.018 0.000 1.235 597 F CB 0.533 39.526 39.000 -0.012 0.000 1.119 597 F HN 0.163 nan 8.300 nan 0.000 0.562 598 V N 4.495 123.850 119.914 -0.932 0.000 2.789 598 V HA 0.552 4.663 4.120 -0.015 0.000 0.311 598 V C -0.710 174.706 176.094 -1.129 0.000 1.073 598 V CA -1.200 60.638 62.300 -0.770 0.000 0.921 598 V CB 1.037 32.633 31.823 -0.380 0.000 1.009 598 V HN 0.565 nan 8.190 nan 0.000 0.426 599 V N 5.209 124.736 119.914 -0.644 0.000 2.493 599 V HA 0.182 4.293 4.120 -0.015 0.000 0.292 599 V C -1.826 174.093 176.094 -0.292 0.000 1.016 599 V CA -0.382 61.708 62.300 -0.349 0.000 1.097 599 V CB 0.402 32.165 31.823 -0.101 0.000 0.947 599 V HN 0.905 nan 8.190 nan 0.000 0.479 600 P HA 0.321 nan 4.420 nan 0.000 0.271 600 P C -0.441 176.770 177.300 -0.148 0.000 1.216 600 P CA -0.064 62.950 63.100 -0.144 0.000 0.776 600 P CB 0.535 32.204 31.700 -0.052 0.000 0.881 601 R N 1.073 121.497 120.500 -0.127 0.000 2.686 601 R HA 0.518 4.849 4.340 -0.015 0.000 0.283 601 R C -0.732 175.523 176.300 -0.075 0.000 0.978 601 R CA -0.627 55.398 56.100 -0.126 0.000 0.897 601 R CB 1.885 32.096 30.300 -0.149 0.000 1.192 601 R HN 0.306 nan 8.270 nan 0.000 0.457 602 T N 2.245 116.766 114.554 -0.055 0.000 2.753 602 T HA 0.228 4.569 4.350 -0.015 0.000 0.297 602 T C -0.191 174.410 174.700 -0.166 0.000 0.981 602 T CA -0.456 61.566 62.100 -0.132 0.000 0.956 602 T CB 1.065 69.774 68.868 -0.266 0.000 0.936 602 T HN 0.133 nan 8.240 nan 0.000 0.463 603 V N 5.934 125.766 119.914 -0.137 0.000 2.348 603 V HA 0.379 4.490 4.120 -0.015 0.000 0.270 603 V C 0.073 176.085 176.094 -0.137 0.000 1.037 603 V CA -0.400 61.826 62.300 -0.123 0.000 0.872 603 V CB 0.579 32.349 31.823 -0.089 0.000 1.002 603 V HN 0.868 nan 8.190 nan 0.000 0.464 604 M N 6.577 126.081 119.600 -0.160 0.000 2.167 604 M HA 0.600 5.071 4.480 -0.015 0.000 0.333 604 M C -0.983 175.205 176.300 -0.187 0.000 1.030 604 M CA -0.123 55.075 55.300 -0.170 0.000 0.963 604 M CB 1.784 34.276 32.600 -0.180 0.000 1.589 604 M HN 0.437 nan 8.290 nan 0.000 0.431 605 I N 2.124 122.567 120.570 -0.211 0.000 2.498 605 I HA 0.799 4.960 4.170 -0.015 0.000 0.290 605 I C 0.130 175.924 176.117 -0.537 0.000 1.032 605 I CA -0.534 60.615 61.300 -0.253 0.000 1.073 605 I CB 2.228 40.171 38.000 -0.096 0.000 1.251 605 I HN 0.768 nan 8.210 nan 0.000 0.426 606 G N 2.955 111.400 108.800 -0.592 0.000 2.672 606 G HA2 0.863 4.813 3.960 -0.015 0.000 0.292 606 G HA3 0.863 4.813 3.960 -0.015 0.000 0.292 606 G C -0.937 173.674 174.900 -0.482 0.000 1.375 606 G CA -0.738 43.863 45.100 -0.831 0.000 0.890 606 G HN 0.995 nan 8.290 nan 0.000 0.476 607 G N -0.640 108.030 108.800 -0.216 0.000 2.321 607 G HA2 0.365 4.315 3.960 -0.015 0.000 0.339 607 G HA3 0.365 4.315 3.960 -0.015 0.000 0.339 607 G C -1.252 173.780 174.900 0.220 0.000 1.518 607 G CA -1.027 44.125 45.100 0.087 0.000 0.994 607 G HN 0.610 nan 8.290 nan 0.000 0.668 608 K N -0.041 120.478 120.400 0.198 0.000 2.110 608 K HA 0.743 5.053 4.320 -0.015 0.000 0.263 608 K C 0.360 177.070 176.600 0.183 0.000 0.975 608 K CA -0.081 56.342 56.287 0.227 0.000 0.895 608 K CB 1.984 34.529 32.500 0.074 0.000 1.060 608 K HN 0.918 nan 8.250 nan 0.000 0.448 609 A N 1.553 124.508 122.820 0.225 0.000 2.312 609 A HA 0.622 4.933 4.320 -0.015 0.000 0.326 609 A C -0.356 177.371 177.584 0.238 0.000 1.172 609 A CA -0.711 51.380 52.037 0.090 0.000 0.821 609 A CB 0.885 19.868 19.000 -0.028 0.000 1.166 609 A HN 0.784 nan 8.150 nan 0.000 0.493 610 A N 3.617 126.560 122.820 0.204 0.000 2.511 610 A HA 0.462 4.773 4.320 -0.015 0.000 0.242 610 A C -1.400 176.257 177.584 0.122 0.000 1.069 610 A CA -0.805 51.378 52.037 0.243 0.000 0.763 610 A CB -0.353 18.787 19.000 0.233 0.000 1.001 610 A HN 0.600 nan 8.150 nan 0.000 0.498 611 P HA -0.135 nan 4.420 nan 0.000 0.217 611 P C 1.244 178.529 177.300 -0.025 0.000 1.148 611 P CA 1.976 65.005 63.100 -0.118 0.000 0.828 611 P CB 0.228 31.805 31.700 -0.204 0.000 0.783 612 G N -3.131 105.686 108.800 0.029 0.000 3.233 612 G HA2 -0.050 3.901 3.960 -0.015 0.000 0.234 612 G HA3 -0.050 3.901 3.960 -0.015 0.000 0.234 612 G C -0.298 174.644 174.900 0.070 0.000 1.137 612 G CA -0.096 45.025 45.100 0.035 0.000 0.763 612 G HN 0.301 nan 8.290 nan 0.000 0.549 613 Y N 1.764 122.017 120.300 -0.078 0.000 2.650 613 Y HA 0.202 4.742 4.550 -0.015 0.000 0.343 613 Y C 1.619 177.507 175.900 -0.020 0.000 1.078 613 Y CA -1.086 56.954 58.100 -0.101 0.000 1.356 613 Y CB 0.190 38.565 38.460 -0.141 0.000 1.204 613 Y HN 0.303 nan 8.280 nan 0.000 0.508 614 H N 4.422 123.611 119.070 0.199 0.000 2.319 614 H HA -0.211 4.336 4.556 -0.015 0.000 0.299 614 H C 1.793 177.156 175.328 0.059 0.000 1.092 614 H CA 2.329 58.435 56.048 0.096 0.000 1.302 614 H CB 0.341 30.149 29.762 0.076 0.000 1.373 614 H HN 0.737 nan 8.280 nan 0.000 0.497 615 M N 1.184 120.813 119.600 0.049 0.000 2.108 615 M HA -0.099 4.372 4.480 -0.015 0.000 0.261 615 M C 2.574 178.662 176.300 -0.354 0.000 1.066 615 M CA 1.959 57.200 55.300 -0.098 0.000 1.107 615 M CB -0.806 31.873 32.600 0.131 0.000 1.356 615 M HN 0.341 nan 8.290 nan 0.000 0.406 616 A N -0.384 121.980 122.820 -0.759 0.000 1.933 616 A HA -0.200 4.111 4.320 -0.015 0.000 0.218 616 A C 2.185 179.549 177.584 -0.366 0.000 1.175 616 A CA 1.920 53.506 52.037 -0.752 0.000 0.628 616 A CB -0.688 17.608 19.000 -1.174 0.000 0.814 616 A HN 0.610 nan 8.150 nan 0.000 0.444 617 K N -1.161 119.083 120.400 -0.261 0.000 2.155 617 K HA -0.024 4.287 4.320 -0.015 0.000 0.203 617 K C 1.868 178.416 176.600 -0.087 0.000 1.052 617 K CA 1.129 57.349 56.287 -0.112 0.000 0.948 617 K CB -0.193 32.298 32.500 -0.014 0.000 0.728 617 K HN 0.353 nan 8.250 nan 0.000 0.448 618 M N 0.494 119.998 119.600 -0.160 0.000 2.200 618 M HA -0.057 4.414 4.480 -0.015 0.000 0.265 618 M C 2.107 178.334 176.300 -0.121 0.000 1.066 618 M CA 1.351 56.603 55.300 -0.079 0.000 1.127 618 M CB -0.594 31.951 32.600 -0.092 0.000 1.379 618 M HN 0.104 nan 8.290 nan 0.000 0.420 619 I N -0.056 120.403 120.570 -0.185 0.000 2.226 619 I HA -0.305 3.856 4.170 -0.015 0.000 0.245 619 I C 2.291 178.258 176.117 -0.250 0.000 1.100 619 I CA 1.098 62.272 61.300 -0.209 0.000 1.374 619 I CB -0.363 37.519 38.000 -0.197 0.000 1.057 619 I HN 0.166 nan 8.210 nan 0.000 0.413 620 I N 0.650 121.051 120.570 -0.282 0.000 2.163 620 I HA -0.321 3.840 4.170 -0.015 0.000 0.243 620 I C 2.634 178.441 176.117 -0.516 0.000 1.085 620 I CA 1.346 62.364 61.300 -0.469 0.000 1.347 620 I CB -0.367 37.326 38.000 -0.512 0.000 1.044 620 I HN 0.165 nan 8.210 nan 0.000 0.408 621 K N 1.559 121.685 120.400 -0.457 0.000 2.032 621 K HA -0.180 4.130 4.320 -0.015 0.000 0.209 621 K C 2.070 178.490 176.600 -0.301 0.000 1.048 621 K CA 1.591 57.542 56.287 -0.559 0.000 0.927 621 K CB -0.669 31.272 32.500 -0.931 0.000 0.712 621 K HN 0.223 nan 8.250 nan 0.000 0.441 622 L N 0.418 121.462 121.223 -0.299 0.000 1.990 622 L HA -0.220 4.111 4.340 -0.015 0.000 0.213 622 L C 2.264 178.871 176.870 -0.439 0.000 1.072 622 L CA 1.972 56.438 54.840 -0.623 0.000 0.755 622 L CB -0.368 41.256 42.059 -0.725 0.000 0.889 622 L HN 0.297 nan 8.230 nan 0.000 0.432 623 I N -0.207 120.165 120.570 -0.331 0.000 2.163 623 I HA -0.349 3.812 4.170 -0.015 0.000 0.243 623 I C 2.646 178.654 176.117 -0.183 0.000 1.085 623 I CA 2.005 63.173 61.300 -0.219 0.000 1.347 623 I CB -0.621 37.332 38.000 -0.079 0.000 1.044 623 I HN 0.442 nan 8.210 nan 0.000 0.408 624 T N -0.862 113.552 114.554 -0.232 0.000 2.867 624 T HA -0.078 4.263 4.350 -0.015 0.000 0.268 624 T C 1.953 176.585 174.700 -0.113 0.000 1.057 624 T CA 0.963 62.961 62.100 -0.169 0.000 1.136 624 T CB -0.459 68.258 68.868 -0.250 0.000 0.874 624 T HN 0.345 nan 8.240 nan 0.000 0.466 625 A N 1.449 124.197 122.820 -0.120 0.000 1.930 625 A HA 0.171 4.482 4.320 -0.015 0.000 0.217 625 A C 2.365 179.972 177.584 0.038 0.000 1.175 625 A CA 1.200 53.241 52.037 0.006 0.000 0.627 625 A CB -0.768 18.334 19.000 0.172 0.000 0.815 625 A HN 0.585 nan 8.150 nan 0.000 0.443 626 I N -0.226 120.267 120.570 -0.129 0.000 2.179 626 I HA -0.203 3.958 4.170 -0.015 0.000 0.242 626 I C 2.750 178.833 176.117 -0.057 0.000 1.088 626 I CA 1.179 62.387 61.300 -0.153 0.000 1.357 626 I CB -0.709 37.069 38.000 -0.372 0.000 1.051 626 I HN 0.382 nan 8.210 nan 0.000 0.409 627 G N 0.478 109.235 108.800 -0.071 0.000 2.469 627 G HA2 -0.295 3.656 3.960 -0.015 0.000 0.219 627 G HA3 -0.295 3.656 3.960 -0.015 0.000 0.219 627 G C 1.283 176.185 174.900 0.003 0.000 1.150 627 G CA 1.185 46.256 45.100 -0.048 0.000 0.763 627 G HN 0.287 nan 8.290 nan 0.000 0.561 628 D N -0.024 120.412 120.400 0.060 0.000 2.133 628 D HA -0.101 4.529 4.640 -0.015 0.000 0.195 628 D C 2.742 179.159 176.300 0.195 0.000 0.997 628 D CA 0.925 55.024 54.000 0.165 0.000 0.840 628 D CB -0.369 40.479 40.800 0.080 0.000 0.947 628 D HN 0.233 nan 8.370 nan 0.000 0.452 629 V N 0.215 120.175 119.914 0.078 0.000 2.302 629 V HA -0.158 3.953 4.120 -0.015 0.000 0.243 629 V C 2.618 178.683 176.094 -0.049 0.000 1.036 629 V CA 0.883 63.175 62.300 -0.013 0.000 1.020 629 V CB -0.318 31.457 31.823 -0.080 0.000 0.657 629 V HN 0.034 nan 8.190 nan 0.000 0.453 630 V N 0.858 120.687 119.914 -0.141 0.000 2.295 630 V HA -0.212 3.898 4.120 -0.015 0.000 0.246 630 V C 2.176 178.249 176.094 -0.036 0.000 1.049 630 V CA 2.079 64.294 62.300 -0.142 0.000 1.024 630 V CB -0.874 30.853 31.823 -0.160 0.000 0.648 630 V HN 0.564 nan 8.190 nan 0.000 0.447 631 N N -0.344 118.284 118.700 -0.119 0.000 2.459 631 N HA -0.093 4.638 4.740 -0.015 0.000 0.181 631 N C 1.292 176.568 175.510 -0.391 0.000 1.046 631 N CA 0.978 53.869 53.050 -0.265 0.000 0.904 631 N CB -0.268 37.993 38.487 -0.378 0.000 0.964 631 N HN 0.687 nan 8.380 nan 0.000 0.444 632 H N -1.398 117.675 119.070 0.005 0.000 2.672 632 H HA 0.199 4.746 4.556 -0.015 0.000 0.277 632 H C -0.428 174.912 175.328 0.020 0.000 1.074 632 H CA -0.475 55.574 56.048 0.002 0.000 1.173 632 H CB 0.596 30.348 29.762 -0.016 0.000 1.558 632 H HN -0.007 nan 8.280 nan 0.000 0.539 633 D N 1.772 122.249 120.400 0.128 0.000 2.325 633 D HA 0.024 4.655 4.640 -0.015 0.000 0.251 633 D C -1.627 174.728 176.300 0.092 0.000 1.196 633 D CA -1.887 52.199 54.000 0.143 0.000 0.866 633 D CB 1.691 42.656 40.800 0.276 0.000 1.101 633 D HN 0.122 nan 8.370 nan 0.000 0.476 634 P HA -0.093 nan 4.420 nan 0.000 0.219 634 P C 1.612 178.930 177.300 0.030 0.000 1.150 634 P CA 0.264 63.387 63.100 0.039 0.000 0.814 634 P CB 0.412 32.130 31.700 0.030 0.000 0.787 635 V N -0.428 119.504 119.914 0.030 0.000 2.490 635 V HA -0.177 3.934 4.120 -0.015 0.000 0.250 635 V C 2.430 178.525 176.094 0.003 0.000 1.061 635 V CA 1.546 63.850 62.300 0.007 0.000 1.064 635 V CB -1.029 30.788 31.823 -0.011 0.000 0.670 635 V HN -0.016 nan 8.190 nan 0.000 0.461 636 V N -0.320 119.612 119.914 0.030 0.000 2.379 636 V HA 0.112 4.223 4.120 -0.015 0.000 0.245 636 V C 1.752 177.853 176.094 0.012 0.000 1.044 636 V CA 1.507 63.825 62.300 0.030 0.000 1.036 636 V CB -1.211 30.674 31.823 0.104 0.000 0.664 636 V HN 0.744 nan 8.190 nan 0.000 0.453 637 G N 1.549 110.359 108.800 0.017 0.000 2.547 637 G HA2 -0.355 3.596 3.960 -0.015 0.000 0.271 637 G HA3 -0.355 3.596 3.960 -0.015 0.000 0.271 637 G C 0.144 175.046 174.900 0.004 0.000 1.209 637 G CA 0.411 45.517 45.100 0.009 0.000 0.959 637 G HN 0.693 nan 8.290 nan 0.000 0.563 638 D N 0.154 120.558 120.400 0.007 0.000 2.370 638 D HA 0.207 4.838 4.640 -0.015 0.000 0.230 638 D C 1.785 178.084 176.300 -0.003 0.000 1.143 638 D CA 0.121 54.127 54.000 0.009 0.000 0.834 638 D CB -0.027 40.791 40.800 0.029 0.000 0.944 638 D HN 0.593 nan 8.370 nan 0.000 0.504 639 R N -0.768 119.720 120.500 -0.021 0.000 2.161 639 R HA 0.207 4.538 4.340 -0.015 0.000 0.213 639 R C -0.098 176.162 176.300 -0.067 0.000 1.055 639 R CA 0.245 56.309 56.100 -0.059 0.000 0.996 639 R CB 0.254 30.503 30.300 -0.085 0.000 0.901 639 R HN 0.141 nan 8.270 nan 0.000 0.456 640 L N 0.714 121.914 121.223 -0.038 0.000 2.516 640 L HA 0.386 4.717 4.340 -0.015 0.000 0.267 640 L C -1.539 175.311 176.870 -0.033 0.000 0.957 640 L CA -0.494 54.322 54.840 -0.040 0.000 0.860 640 L CB 1.804 43.853 42.059 -0.015 0.000 1.265 640 L HN -0.182 nan 8.230 nan 0.000 0.403 641 R N 3.900 124.367 120.500 -0.055 0.000 2.561 641 R HA 0.744 5.074 4.340 -0.015 0.000 0.297 641 R C -1.591 174.660 176.300 -0.082 0.000 0.969 641 R CA -0.767 55.293 56.100 -0.067 0.000 0.879 641 R CB 2.373 32.635 30.300 -0.064 0.000 1.178 641 R HN 0.413 nan 8.270 nan 0.000 0.445 642 V N 5.146 125.011 119.914 -0.082 0.000 2.350 642 V HA 0.448 4.559 4.120 -0.015 0.000 0.285 642 V C 0.002 176.059 176.094 -0.062 0.000 1.014 642 V CA -0.691 61.562 62.300 -0.079 0.000 0.831 642 V CB 1.681 33.455 31.823 -0.082 0.000 1.000 642 V HN 0.488 nan 8.190 nan 0.000 0.433 643 I N 4.908 125.439 120.570 -0.065 0.000 2.406 643 I HA 0.395 4.556 4.170 -0.015 0.000 0.290 643 I C -0.554 175.550 176.117 -0.022 0.000 0.999 643 I CA -0.535 60.736 61.300 -0.047 0.000 1.124 643 I CB 1.745 39.695 38.000 -0.083 0.000 1.289 643 I HN 0.553 nan 8.210 nan 0.000 0.441 644 F N 7.078 126.965 119.950 -0.106 0.000 2.404 644 F HA 0.409 4.927 4.527 -0.015 0.000 0.358 644 F C -0.126 175.609 175.800 -0.109 0.000 1.120 644 F CA -0.467 57.470 58.000 -0.106 0.000 1.144 644 F CB 0.671 39.608 39.000 -0.104 0.000 1.133 644 F HN 0.268 nan 8.300 nan 0.000 0.495 645 L N 6.345 127.177 121.223 -0.653 0.000 2.407 645 L HA 0.182 4.513 4.340 -0.015 0.000 0.282 645 L C 0.400 176.995 176.870 -0.460 0.000 1.110 645 L CA -0.075 54.506 54.840 -0.431 0.000 0.863 645 L CB 0.410 42.319 42.059 -0.249 0.000 1.207 645 L HN 0.632 nan 8.230 nan 0.000 0.454 646 E N 4.249 124.308 120.200 -0.235 0.000 2.354 646 E HA -0.045 4.296 4.350 -0.015 0.000 0.269 646 E C 0.342 176.979 176.600 0.062 0.000 1.036 646 E CA -0.410 55.992 56.400 0.004 0.000 0.876 646 E CB 0.489 30.173 29.700 -0.027 0.000 1.009 646 E HN 0.575 nan 8.360 nan 0.000 0.416 647 N N 2.486 121.289 118.700 0.172 0.000 2.758 647 N HA -0.273 4.458 4.740 -0.015 0.000 0.248 647 N C -1.518 174.081 175.510 0.149 0.000 1.076 647 N CA 0.554 53.709 53.050 0.175 0.000 0.696 647 N CB -1.753 36.856 38.487 0.204 0.000 0.979 647 N HN 0.516 nan 8.380 nan 0.000 0.550 648 Y N 1.613 121.917 120.300 0.007 0.000 2.717 648 Y HA 0.197 4.737 4.550 -0.016 0.000 0.330 648 Y C 1.126 177.045 175.900 0.033 0.000 1.217 648 Y CA 0.760 58.854 58.100 -0.010 0.000 1.506 648 Y CB 0.327 38.744 38.460 -0.071 0.000 1.268 648 Y HN 0.377 nan 8.280 nan 0.000 0.561 649 R N 2.399 122.507 120.500 -0.652 0.000 2.756 649 R HA 0.402 4.733 4.340 -0.015 0.000 0.273 649 R C -0.710 175.257 176.300 -0.554 0.000 1.030 649 R CA -0.587 55.262 56.100 -0.417 0.000 0.887 649 R CB 0.260 30.518 30.300 -0.071 0.000 1.274 649 R HN 0.366 nan 8.270 nan 0.000 0.461 650 V N 1.096 120.717 119.914 -0.488 0.000 2.287 650 V HA -0.278 3.833 4.120 -0.015 0.000 0.248 650 V C 2.567 178.534 176.094 -0.211 0.000 1.053 650 V CA 2.838 64.903 62.300 -0.392 0.000 1.027 650 V CB -0.747 30.792 31.823 -0.474 0.000 0.646 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N -0.154 115.444 115.700 -0.170 0.000 2.419 651 S HA -0.161 4.300 4.470 -0.015 0.000 0.233 651 S C 1.900 176.448 174.600 -0.087 0.000 1.016 651 S CA 1.576 59.703 58.200 -0.121 0.000 0.974 651 S CB -0.448 62.708 63.200 -0.074 0.000 0.786 651 S HN 0.387 nan 8.310 nan 0.000 0.492 652 L N 1.835 123.017 121.223 -0.069 0.000 2.131 652 L HA 0.369 4.700 4.340 -0.015 0.000 0.206 652 L C 2.691 179.591 176.870 0.050 0.000 1.087 652 L CA 1.330 56.181 54.840 0.018 0.000 0.767 652 L CB -1.265 40.867 42.059 0.122 0.000 0.917 652 L HN 0.342 nan 8.230 nan 0.000 0.441 653 A N -0.676 122.148 122.820 0.007 0.000 1.940 653 A HA -0.249 4.062 4.320 -0.015 0.000 0.219 653 A C 2.131 179.795 177.584 0.133 0.000 1.176 653 A CA 1.927 54.052 52.037 0.146 0.000 0.631 653 A CB -0.594 18.478 19.000 0.119 0.000 0.814 653 A HN 0.599 nan 8.150 nan 0.000 0.446 654 E N -0.517 119.729 120.200 0.077 0.000 2.268 654 E HA -0.136 4.204 4.350 -0.015 0.000 0.195 654 E C 1.885 178.461 176.600 -0.040 0.000 0.995 654 E CA 1.119 57.520 56.400 0.001 0.000 0.836 654 E CB -0.025 29.577 29.700 -0.164 0.000 0.763 654 E HN 0.634 nan 8.360 nan 0.000 0.491 655 K N 0.038 120.403 120.400 -0.059 0.000 2.141 655 K HA 0.032 4.343 4.320 -0.015 0.000 0.202 655 K C 2.146 178.630 176.600 -0.192 0.000 1.045 655 K CA 0.444 56.695 56.287 -0.060 0.000 0.971 655 K CB 0.030 32.492 32.500 -0.063 0.000 0.795 655 K HN -0.047 nan 8.250 nan 0.000 0.459 656 V N 1.831 121.540 119.914 -0.342 0.000 2.591 656 V HA -0.114 3.997 4.120 -0.015 0.000 0.249 656 V C 1.865 177.742 176.094 -0.362 0.000 1.053 656 V CA 1.159 63.023 62.300 -0.727 0.000 1.068 656 V CB -0.155 31.323 31.823 -0.574 0.000 0.689 656 V HN 0.226 nan 8.190 nan 0.000 0.462 657 I N 0.736 121.146 120.570 -0.267 0.000 2.142 657 I HA -0.116 4.045 4.170 -0.015 0.000 0.240 657 I C -0.226 175.798 176.117 -0.155 0.000 1.078 657 I CA 1.587 62.665 61.300 -0.370 0.000 1.343 657 I CB -1.510 36.108 38.000 -0.637 0.000 1.046 657 I HN 0.348 nan 8.210 nan 0.000 0.405 658 P HA -0.147 nan 4.420 nan 0.000 0.221 658 P C 0.984 178.290 177.300 0.010 0.000 1.145 658 P CA 1.366 64.455 63.100 -0.018 0.000 0.795 658 P CB -0.011 31.684 31.700 -0.008 0.000 0.775 659 A N -1.243 121.568 122.820 -0.014 0.000 2.238 659 A HA 0.444 4.755 4.320 -0.015 0.000 0.210 659 A C 1.210 178.899 177.584 0.174 0.000 1.179 659 A CA 0.205 52.280 52.037 0.063 0.000 0.827 659 A CB -0.647 18.394 19.000 0.069 0.000 0.856 659 A HN 0.208 nan 8.150 nan 0.000 0.488 660 A N -0.040 122.887 122.820 0.178 0.000 2.354 660 A HA 0.479 4.789 4.320 -0.015 0.000 0.269 660 A C 0.317 178.054 177.584 0.255 0.000 1.109 660 A CA -0.196 52.007 52.037 0.277 0.000 0.800 660 A CB 0.362 19.610 19.000 0.414 0.000 1.045 660 A HN 0.267 nan 8.150 nan 0.000 0.489 661 D N 0.514 121.066 120.400 0.253 0.000 2.323 661 D HA 0.113 4.744 4.640 -0.015 0.000 0.218 661 D C 0.036 176.574 176.300 0.397 0.000 0.973 661 D CA 0.758 54.972 54.000 0.356 0.000 0.890 661 D CB 0.308 41.236 40.800 0.213 0.000 1.011 661 D HN 0.353 nan 8.370 nan 0.000 0.499 662 L N 1.144 122.469 121.223 0.169 0.000 2.376 662 L HA 0.278 4.609 4.340 -0.015 0.000 0.275 662 L C -0.791 175.952 176.870 -0.212 0.000 0.987 662 L CA -0.304 54.551 54.840 0.024 0.000 0.828 662 L CB 2.102 44.146 42.059 -0.025 0.000 1.249 662 L HN -0.188 nan 8.230 nan 0.000 0.409 663 S N 4.300 119.781 115.700 -0.366 0.000 2.422 663 S HA 0.310 4.771 4.470 -0.015 0.000 0.298 663 S C -0.340 173.971 174.600 -0.483 0.000 1.118 663 S CA -0.664 57.064 58.200 -0.788 0.000 1.083 663 S CB 0.580 63.274 63.200 -0.843 0.000 0.971 663 S HN 0.541 nan 8.310 nan 0.000 0.478 664 E N 4.168 124.101 120.200 -0.446 0.000 2.089 664 E HA 0.199 4.540 4.350 -0.015 0.000 0.284 664 E C -0.504 175.984 176.600 -0.187 0.000 1.023 664 E CA -0.379 55.889 56.400 -0.219 0.000 0.819 664 E CB 0.959 30.564 29.700 -0.159 0.000 1.076 664 E HN 0.611 nan 8.360 nan 0.000 0.396 665 Q N 2.833 122.579 119.800 -0.090 0.000 2.965 665 Q HA 0.267 4.597 4.340 -0.015 0.000 0.288 665 Q C 0.628 176.621 176.000 -0.013 0.000 0.974 665 Q CA -0.123 55.644 55.803 -0.059 0.000 0.849 665 Q CB 0.207 28.922 28.738 -0.038 0.000 1.280 665 Q HN 0.613 nan 8.270 nan 0.000 0.441 666 I N -1.754 118.797 120.570 -0.032 0.000 3.654 666 I HA 0.275 4.436 4.170 -0.015 0.000 0.337 666 I C 0.331 176.407 176.117 -0.068 0.000 1.568 666 I CA -0.681 60.615 61.300 -0.006 0.000 1.115 666 I CB 0.461 38.463 38.000 0.003 0.000 1.300 666 I HN -0.015 nan 8.210 nan 0.000 0.471 667 S N 0.440 116.102 115.700 -0.063 0.000 2.572 667 S HA 0.189 4.650 4.470 -0.015 0.000 0.279 667 S C 0.575 175.168 174.600 -0.012 0.000 1.341 667 S CA -0.280 57.906 58.200 -0.022 0.000 1.043 667 S CB 0.348 63.592 63.200 0.072 0.000 0.887 667 S HN 0.392 nan 8.310 nan 0.000 0.516 668 T N 3.008 117.585 114.554 0.038 0.000 2.908 668 T HA 0.332 4.673 4.350 -0.015 0.000 0.301 668 T C 0.799 175.514 174.700 0.025 0.000 1.019 668 T CA 0.307 62.435 62.100 0.046 0.000 1.152 668 T CB -0.127 68.837 68.868 0.160 0.000 0.966 668 T HN 1.033 nan 8.240 nan 0.000 0.540 669 A N 2.786 125.589 122.820 -0.029 0.000 2.580 669 A HA 0.445 4.756 4.320 -0.015 0.000 0.244 669 A C 1.642 179.221 177.584 -0.009 0.000 1.045 669 A CA 0.293 52.309 52.037 -0.036 0.000 0.761 669 A CB -0.878 18.087 19.000 -0.057 0.000 0.962 669 A HN 1.762 nan 8.150 nan 0.000 0.512 670 G N 1.346 110.139 108.800 -0.012 0.000 2.176 670 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.232 670 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.232 670 G C 0.822 175.709 174.900 -0.023 0.000 0.986 670 G CA 1.074 46.168 45.100 -0.011 0.000 0.643 670 G HN 1.968 nan 8.290 nan 0.000 0.522 671 T N -2.481 112.054 114.554 -0.032 0.000 3.056 671 T HA 0.401 4.742 4.350 -0.015 0.000 0.241 671 T C 0.757 175.273 174.700 -0.307 0.000 1.006 671 T CA 1.018 63.023 62.100 -0.157 0.000 1.115 671 T CB 0.499 69.329 68.868 -0.064 0.000 0.939 671 T HN 0.247 nan 8.240 nan 0.000 0.462 672 E N 1.717 121.882 120.200 -0.058 0.000 2.070 672 E HA 0.638 4.979 4.350 -0.015 0.000 0.282 672 E C 1.187 177.734 176.600 -0.087 0.000 1.104 672 E CA 0.128 56.544 56.400 0.026 0.000 0.876 672 E CB 0.718 30.502 29.700 0.140 0.000 1.055 672 E HN 0.387 nan 8.360 nan 0.000 0.401 673 A N 3.417 126.110 122.820 -0.213 0.000 1.903 673 A HA -0.236 4.075 4.320 -0.015 0.000 0.219 673 A C 2.010 179.457 177.584 -0.229 0.000 1.191 673 A CA 2.327 54.096 52.037 -0.446 0.000 0.638 673 A CB -0.271 18.224 19.000 -0.842 0.000 0.823 673 A HN 0.607 nan 8.150 nan 0.000 0.451 674 S N -3.923 111.708 115.700 -0.115 0.000 3.770 674 S HA 0.445 4.906 4.470 -0.015 0.000 0.238 674 S C 0.743 175.334 174.600 -0.015 0.000 1.143 674 S CA 1.420 59.600 58.200 -0.032 0.000 0.869 674 S CB -0.184 63.020 63.200 0.006 0.000 1.057 674 S HN 2.284 nan 8.310 nan 0.000 0.507 675 G N 0.447 109.244 108.800 -0.006 0.000 2.722 675 G HA2 -0.088 3.863 3.960 -0.015 0.000 0.686 675 G HA3 -0.088 3.863 3.960 -0.015 0.000 0.686 675 G C 0.266 175.150 174.900 -0.027 0.000 1.282 675 G CA 0.451 45.547 45.100 -0.006 0.000 0.817 675 G HN 1.308 nan 8.290 nan 0.000 0.605 676 T N -1.690 112.833 114.554 -0.051 0.000 3.010 676 T HA 0.382 4.723 4.350 -0.015 0.000 0.253 676 T C 2.411 177.009 174.700 -0.171 0.000 0.939 676 T CA 1.234 63.272 62.100 -0.103 0.000 0.910 676 T CB 0.255 69.052 68.868 -0.119 0.000 1.226 676 T HN 1.889 nan 8.240 nan 0.000 0.508 677 G N 3.270 111.997 108.800 -0.121 0.000 2.469 677 G HA2 -0.313 3.638 3.960 -0.015 0.000 0.219 677 G HA3 -0.313 3.638 3.960 -0.015 0.000 0.219 677 G C 1.466 176.427 174.900 0.101 0.000 1.150 677 G CA 1.294 46.346 45.100 -0.080 0.000 0.763 677 G HN 0.835 nan 8.290 nan 0.000 0.561 678 N N -0.040 118.706 118.700 0.078 0.000 2.060 678 N HA -0.130 4.601 4.740 -0.015 0.000 0.195 678 N C 1.452 176.975 175.510 0.022 0.000 1.028 678 N CA 0.760 53.853 53.050 0.073 0.000 0.861 678 N CB -0.363 38.117 38.487 -0.010 0.000 1.029 678 N HN 0.349 nan 8.380 nan 0.000 0.428 682 M N 0.233 119.921 119.600 0.147 0.000 2.117 682 M HA -0.157 4.314 4.480 -0.015 0.000 0.262 682 M C 1.978 178.333 176.300 0.092 0.000 1.065 682 M CA 1.788 57.145 55.300 0.095 0.000 1.114 682 M CB -0.090 32.549 32.600 0.065 0.000 1.361 682 M HN 0.314 nan 8.290 nan 0.000 0.408 683 L N 0.624 121.897 121.223 0.083 0.000 2.275 683 L HA -0.092 4.239 4.340 -0.015 0.000 0.215 683 L C 1.272 178.190 176.870 0.080 0.000 1.119 683 L CA 1.570 56.466 54.840 0.094 0.000 0.790 683 L CB -0.492 41.631 42.059 0.107 0.000 0.919 683 L HN 0.339 nan 8.230 nan 0.000 0.443 684 N N -0.642 118.098 118.700 0.067 0.000 2.204 684 N HA 0.201 4.932 4.740 -0.015 0.000 0.219 684 N C 0.808 176.360 175.510 0.071 0.000 1.151 684 N CA 0.780 53.864 53.050 0.057 0.000 0.867 684 N CB 0.817 39.317 38.487 0.022 0.000 1.043 684 N HN 0.341 nan 8.380 nan 0.000 0.516 685 G N 0.593 109.442 108.800 0.082 0.000 2.130 685 G HA2 -0.179 3.772 3.960 -0.015 0.000 0.216 685 G HA3 -0.179 3.772 3.960 -0.015 0.000 0.216 685 G C -0.035 174.946 174.900 0.136 0.000 0.999 685 G CA 0.073 45.223 45.100 0.084 0.000 0.686 685 G HN 0.501 nan 8.290 nan 0.000 0.515 686 A N -0.178 122.733 122.820 0.151 0.000 2.312 686 A HA 0.879 5.190 4.320 -0.015 0.000 0.328 686 A C 0.427 178.035 177.584 0.038 0.000 1.158 686 A CA -0.600 51.544 52.037 0.178 0.000 0.821 686 A CB 0.971 20.128 19.000 0.262 0.000 1.170 686 A HN 0.717 nan 8.150 nan 0.000 0.490 687 L N 0.863 122.069 121.223 -0.028 0.000 2.421 687 L HA 0.430 4.761 4.340 -0.015 0.000 0.263 687 L C 0.235 176.999 176.870 -0.177 0.000 1.122 687 L CA -0.312 54.419 54.840 -0.181 0.000 0.804 687 L CB 1.379 43.230 42.059 -0.348 0.000 1.150 687 L HN 0.681 nan 8.230 nan 0.000 0.457 688 T N 2.669 117.003 114.554 -0.366 0.000 2.779 688 T HA 0.444 4.785 4.350 -0.015 0.000 0.280 688 T C -0.364 174.104 174.700 -0.386 0.000 0.987 688 T CA -0.255 61.538 62.100 -0.510 0.000 0.966 688 T CB 1.407 69.742 68.868 -0.888 0.000 0.933 688 T HN 0.346 nan 8.240 nan 0.000 0.442 689 I N 3.124 123.598 120.570 -0.160 0.000 2.321 689 I HA 0.695 4.855 4.170 -0.015 0.000 0.291 689 I C 0.143 176.362 176.117 0.169 0.000 0.998 689 I CA 0.136 61.470 61.300 0.057 0.000 1.227 689 I CB 0.245 38.243 38.000 -0.003 0.000 1.368 689 I HN 0.769 nan 8.210 nan 0.000 0.466 690 G N 4.028 113.012 108.800 0.306 0.000 2.673 690 G HA2 0.453 4.404 3.960 -0.015 0.000 0.292 690 G HA3 0.453 4.404 3.960 -0.015 0.000 0.292 690 G C -0.875 173.970 174.900 -0.091 0.000 1.450 690 G CA -0.474 44.739 45.100 0.190 0.000 0.837 690 G HN 0.588 nan 8.290 nan 0.000 0.505 691 T N -1.004 113.349 114.554 -0.336 0.000 2.849 691 T HA 0.469 4.810 4.350 -0.015 0.000 0.284 691 T C 0.803 175.401 174.700 -0.170 0.000 1.004 691 T CA -0.664 61.165 62.100 -0.451 0.000 1.021 691 T CB 1.048 69.666 68.868 -0.416 0.000 1.013 691 T HN 0.255 nan 8.240 nan 0.000 0.527 692 M N 2.884 122.390 119.600 -0.157 0.000 3.442 692 M HA 0.307 4.778 4.480 -0.015 0.000 0.232 692 M C -0.382 175.868 176.300 -0.083 0.000 1.508 692 M CA -0.071 55.168 55.300 -0.102 0.000 1.647 692 M CB -1.828 30.718 32.600 -0.091 0.000 1.126 692 M HN 0.722 nan 8.290 nan 0.000 0.557 693 D N -0.049 120.310 120.400 -0.068 0.000 2.671 693 D HA 0.671 5.302 4.640 -0.015 0.000 0.232 693 D C 0.773 177.055 176.300 -0.029 0.000 1.114 693 D CA 0.690 54.664 54.000 -0.043 0.000 0.858 693 D CB 1.739 42.517 40.800 -0.037 0.000 1.544 693 D HN 0.594 nan 8.370 nan 0.000 0.471 694 G N 1.850 110.641 108.800 -0.015 0.000 2.627 694 G HA2 -0.279 3.672 3.960 -0.015 0.000 0.312 694 G HA3 -0.279 3.672 3.960 -0.015 0.000 0.312 694 G C 1.058 175.953 174.900 -0.008 0.000 1.299 694 G CA 1.222 46.318 45.100 -0.007 0.000 0.989 694 G HN 1.041 nan 8.290 nan 0.000 0.547 695 A N -0.339 122.472 122.820 -0.014 0.000 2.168 695 A HA 0.084 4.395 4.320 -0.015 0.000 0.215 695 A C 2.130 179.649 177.584 -0.108 0.000 1.152 695 A CA 1.850 53.872 52.037 -0.025 0.000 0.716 695 A CB -0.454 18.526 19.000 -0.034 0.000 0.794 695 A HN 0.629 nan 8.150 nan 0.000 0.465 696 N N 0.656 119.304 118.700 -0.086 0.000 2.094 696 N HA -0.166 4.565 4.740 -0.015 0.000 0.191 696 N C 1.614 176.957 175.510 -0.278 0.000 1.023 696 N CA 1.664 54.653 53.050 -0.102 0.000 0.857 696 N CB -0.740 37.763 38.487 0.027 0.000 1.013 696 N HN 0.281 nan 8.380 nan 0.000 0.426 697 V N 1.306 121.118 119.914 -0.170 0.000 2.282 697 V HA -0.234 3.877 4.120 -0.015 0.000 0.249 697 V C 1.998 178.001 176.094 -0.153 0.000 1.057 697 V CA 1.776 63.975 62.300 -0.168 0.000 1.032 697 V CB -0.512 31.260 31.823 -0.085 0.000 0.645 697 V HN 0.372 nan 8.190 nan 0.000 0.447 698 E N -0.760 119.412 120.200 -0.047 0.000 2.158 698 E HA -0.110 4.231 4.350 -0.015 0.000 0.191 698 E C 2.207 178.923 176.600 0.194 0.000 0.982 698 E CA 0.947 57.406 56.400 0.099 0.000 0.823 698 E CB -0.161 29.689 29.700 0.250 0.000 0.766 698 E HN 0.551 nan 8.360 nan 0.000 0.468 699 M N 0.462 120.038 119.600 -0.041 0.000 2.099 699 M HA -0.131 4.340 4.480 -0.015 0.000 0.262 699 M C 2.498 178.613 176.300 -0.309 0.000 1.067 699 M CA 1.492 56.700 55.300 -0.154 0.000 1.124 699 M CB -0.187 32.210 32.600 -0.337 0.000 1.353 699 M HN 0.140 nan 8.290 nan 0.000 0.410 700 A N 0.116 122.449 122.820 -0.812 0.000 1.877 700 A HA -0.242 4.069 4.320 -0.015 0.000 0.216 700 A C 1.986 179.398 177.584 -0.287 0.000 1.186 700 A CA 2.097 53.649 52.037 -0.809 0.000 0.620 700 A CB -0.905 17.558 19.000 -0.894 0.000 0.822 700 A HN 0.590 nan 8.150 nan 0.000 0.443 701 E N -0.454 119.632 120.200 -0.191 0.000 2.058 701 E HA -0.250 4.091 4.350 -0.015 0.000 0.194 701 E C 1.864 178.444 176.600 -0.033 0.000 0.997 701 E CA 1.477 57.826 56.400 -0.084 0.000 0.801 701 E CB -0.111 29.557 29.700 -0.053 0.000 0.746 701 E HN 0.560 nan 8.360 nan 0.000 0.450 702 E N 0.101 120.314 120.200 0.021 0.000 2.047 702 E HA -0.153 4.188 4.350 -0.015 0.000 0.191 702 E C 1.919 178.548 176.600 0.049 0.000 0.987 702 E CA 1.224 57.657 56.400 0.056 0.000 0.799 702 E CB -0.309 29.490 29.700 0.165 0.000 0.752 702 E HN 0.395 nan 8.360 nan 0.000 0.449 703 A N 0.406 123.260 122.820 0.056 0.000 2.072 703 A HA 0.297 4.608 4.320 -0.015 0.000 0.216 703 A C 1.089 178.685 177.584 0.020 0.000 1.156 703 A CA 1.164 53.237 52.037 0.061 0.000 0.701 703 A CB -0.169 18.906 19.000 0.124 0.000 0.816 703 A HN 0.278 nan 8.150 nan 0.000 0.458 704 G N -0.708 108.084 108.800 -0.012 0.000 2.895 704 G HA2 -0.112 3.839 3.960 -0.015 0.000 0.686 704 G HA3 -0.112 3.839 3.960 -0.015 0.000 0.686 704 G C -0.042 174.840 174.900 -0.029 0.000 1.108 704 G CA -0.013 45.071 45.100 -0.026 0.000 0.761 704 G HN 0.294 nan 8.290 nan 0.000 0.611 705 E N 0.917 121.090 120.200 -0.044 0.000 2.268 705 E HA -0.099 4.242 4.350 -0.015 0.000 0.195 705 E C 1.968 178.554 176.600 -0.024 0.000 0.995 705 E CA 1.559 57.941 56.400 -0.031 0.000 0.836 705 E CB 0.089 29.766 29.700 -0.037 0.000 0.763 705 E HN 0.754 nan 8.360 nan 0.000 0.491 706 E N 0.764 120.936 120.200 -0.047 0.000 2.274 706 E HA -0.073 4.268 4.350 -0.015 0.000 0.194 706 E C 0.913 177.422 176.600 -0.153 0.000 0.996 706 E CA 0.622 56.972 56.400 -0.083 0.000 0.840 706 E CB 0.032 29.696 29.700 -0.060 0.000 0.772 706 E HN 0.145 nan 8.360 nan 0.000 0.491 707 N N -0.286 118.349 118.700 -0.107 0.000 2.273 707 N HA 0.147 4.878 4.740 -0.015 0.000 0.231 707 N C -1.036 174.394 175.510 -0.134 0.000 1.134 707 N CA 0.026 52.984 53.050 -0.153 0.000 0.856 707 N CB 0.477 38.925 38.487 -0.065 0.000 1.068 707 N HN 0.045 nan 8.380 nan 0.000 0.510 708 F N -0.030 119.705 119.950 -0.358 0.000 2.569 708 F HA 0.386 4.903 4.527 -0.016 0.000 0.312 708 F C -0.941 174.652 175.800 -0.344 0.000 1.109 708 F CA -1.074 56.760 58.000 -0.277 0.000 0.919 708 F CB 1.212 40.135 39.000 -0.127 0.000 1.211 708 F HN -0.202 nan 8.300 nan 0.000 0.446 709 F N 6.484 126.365 119.950 -0.116 0.000 2.499 709 F HA 0.382 4.900 4.527 -0.015 0.000 0.353 709 F C 0.008 175.918 175.800 0.183 0.000 1.196 709 F CA -0.301 57.706 58.000 0.011 0.000 1.244 709 F CB -0.233 38.724 39.000 -0.072 0.000 1.577 709 F HN 0.112 nan 8.300 nan 0.000 0.614 710 I N 4.057 124.845 120.570 0.363 0.000 2.395 710 I HA 0.328 4.489 4.170 -0.015 0.000 0.289 710 I C -0.143 176.169 176.117 0.326 0.000 1.023 710 I CA -0.465 61.025 61.300 0.317 0.000 1.350 710 I CB 0.628 38.745 38.000 0.196 0.000 1.409 710 I HN 0.354 nan 8.210 nan 0.000 0.507 711 F N 3.762 123.791 119.950 0.131 0.000 2.715 711 F HA 0.939 5.457 4.527 -0.016 0.000 0.318 711 F C 0.071 175.920 175.800 0.081 0.000 1.141 711 F CA -0.640 57.422 58.000 0.104 0.000 0.950 711 F CB 0.878 39.950 39.000 0.119 0.000 1.374 711 F HN 0.763 nan 8.300 nan 0.000 0.477 712 G N 0.878 109.765 108.800 0.145 0.000 2.796 712 G HA2 -0.087 3.864 3.960 -0.015 0.000 0.571 712 G HA3 -0.087 3.864 3.960 -0.015 0.000 0.571 712 G C -0.880 174.000 174.900 -0.033 0.000 1.370 712 G CA -0.604 44.514 45.100 0.030 0.000 0.856 712 G HN 0.951 nan 8.290 nan 0.000 0.538 713 M N 0.992 120.581 119.600 -0.019 0.000 2.248 713 M HA 0.206 4.677 4.480 -0.015 0.000 0.345 713 M C 1.276 177.544 176.300 -0.054 0.000 1.243 713 M CA -0.015 55.278 55.300 -0.012 0.000 1.090 713 M CB 0.261 32.861 32.600 -0.000 0.000 1.683 713 M HN 0.518 nan 8.290 nan 0.000 0.450 714 R N 1.836 122.317 120.500 -0.032 0.000 2.652 714 R HA 0.204 4.535 4.340 -0.015 0.000 0.271 714 R C 1.285 177.567 176.300 -0.030 0.000 1.129 714 R CA -0.491 55.586 56.100 -0.039 0.000 1.200 714 R CB -0.129 30.155 30.300 -0.027 0.000 1.146 714 R HN 0.585 nan 8.270 nan 0.000 0.581 715 V N 1.449 121.344 119.914 -0.032 0.000 2.324 715 V HA -0.281 3.830 4.120 -0.015 0.000 0.250 715 V C 1.970 178.053 176.094 -0.017 0.000 1.060 715 V CA 2.114 64.399 62.300 -0.026 0.000 1.042 715 V CB -0.499 31.306 31.823 -0.029 0.000 0.650 715 V HN 0.631 nan 8.190 nan 0.000 0.450 716 E N 0.146 120.338 120.200 -0.014 0.000 2.118 716 E HA -0.193 4.147 4.350 -0.015 0.000 0.195 716 E C 1.957 178.561 176.600 0.006 0.000 0.992 716 E CA 1.431 57.828 56.400 -0.005 0.000 0.804 716 E CB -0.340 29.357 29.700 -0.004 0.000 0.741 716 E HN 0.637 nan 8.360 nan 0.000 0.458 717 D N -0.223 120.183 120.400 0.010 0.000 2.144 717 D HA -0.099 4.531 4.640 -0.015 0.000 0.200 717 D C 1.984 178.300 176.300 0.028 0.000 0.978 717 D CA 0.821 54.837 54.000 0.027 0.000 0.833 717 D CB -0.110 40.710 40.800 0.033 0.000 0.961 717 D HN 0.072 nan 8.370 nan 0.000 0.470 718 V N 1.882 121.800 119.914 0.006 0.000 2.343 718 V HA -0.207 3.904 4.120 -0.015 0.000 0.247 718 V C 2.001 178.095 176.094 0.000 0.000 1.051 718 V CA 1.641 63.936 62.300 -0.008 0.000 1.036 718 V CB -0.403 31.404 31.823 -0.026 0.000 0.654 718 V HN 0.030 nan 8.190 nan 0.000 0.451 719 D N 0.027 120.427 120.400 -0.000 0.000 2.104 719 D HA -0.174 4.457 4.640 -0.015 0.000 0.194 719 D C 2.412 178.724 176.300 0.019 0.000 0.994 719 D CA 1.392 55.394 54.000 0.003 0.000 0.830 719 D CB -0.272 40.526 40.800 -0.003 0.000 0.959 719 D HN 0.345 nan 8.370 nan 0.000 0.452 720 R N 0.121 120.637 120.500 0.027 0.000 2.091 720 R HA -0.049 4.282 4.340 -0.015 0.000 0.238 720 R C 2.511 178.846 176.300 0.059 0.000 1.136 720 R CA 0.548 56.671 56.100 0.039 0.000 0.959 720 R CB -0.368 29.958 30.300 0.042 0.000 0.856 720 R HN 0.205 nan 8.270 nan 0.000 0.437 721 L N 0.536 121.803 121.223 0.073 0.000 2.093 721 L HA -0.198 4.132 4.340 -0.015 0.000 0.208 721 L C 1.413 178.349 176.870 0.109 0.000 1.085 721 L CA 1.370 56.280 54.840 0.117 0.000 0.755 721 L CB -0.241 41.901 42.059 0.138 0.000 0.904 721 L HN 0.237 nan 8.230 nan 0.000 0.435 722 D N -0.539 119.899 120.400 0.063 0.000 2.117 722 D HA -0.194 4.437 4.640 -0.015 0.000 0.198 722 D C 2.215 178.545 176.300 0.049 0.000 0.982 722 D CA 1.071 55.101 54.000 0.051 0.000 0.828 722 D CB -0.002 40.806 40.800 0.014 0.000 0.967 722 D HN 0.423 nan 8.370 nan 0.000 0.464 723 Q N 0.107 119.931 119.800 0.041 0.000 2.084 723 Q HA -0.097 4.234 4.340 -0.015 0.000 0.202 723 Q C 2.257 178.283 176.000 0.042 0.000 0.978 723 Q CA 0.924 56.748 55.803 0.035 0.000 0.844 723 Q CB 0.009 28.764 28.738 0.028 0.000 0.898 723 Q HN 0.132 nan 8.270 nan 0.000 0.426 724 R N -0.192 120.341 120.500 0.055 0.000 2.115 724 R HA -0.016 4.314 4.340 -0.015 0.000 0.230 724 R C -0.063 176.276 176.300 0.065 0.000 1.111 724 R CA 0.890 57.025 56.100 0.058 0.000 0.976 724 R CB 0.115 30.457 30.300 0.071 0.000 0.870 724 R HN 0.298 nan 8.270 nan 0.000 0.445 725 G N -0.326 108.526 108.800 0.087 0.000 3.225 725 G HA2 -0.268 3.683 3.960 -0.015 0.000 0.686 725 G HA3 -0.268 3.683 3.960 -0.015 0.000 0.686 725 G C -1.381 173.613 174.900 0.156 0.000 1.105 725 G CA -0.359 44.800 45.100 0.099 0.000 0.831 725 G HN 0.281 nan 8.290 nan 0.000 0.578 726 Y N 3.161 123.491 120.300 0.050 0.000 2.452 726 Y HA 0.593 5.134 4.550 -0.015 0.000 0.348 726 Y C 0.301 176.252 175.900 0.085 0.000 0.985 726 Y CA -1.344 56.804 58.100 0.081 0.000 1.214 726 Y CB 1.097 39.587 38.460 0.049 0.000 1.136 726 Y HN 0.613 nan 8.280 nan 0.000 0.523 727 N N 4.873 123.383 118.700 -0.318 0.000 2.621 727 N HA 0.341 5.072 4.740 -0.015 0.000 0.237 727 N C 0.412 175.681 175.510 -0.402 0.000 0.997 727 N CA 0.298 53.155 53.050 -0.321 0.000 0.918 727 N CB 1.068 39.484 38.487 -0.117 0.000 1.122 727 N HN 0.765 nan 8.380 nan 0.000 0.510 728 A N 2.796 125.248 122.820 -0.614 0.000 1.972 728 A HA -0.205 4.105 4.320 -0.015 0.000 0.219 728 A C 1.910 179.632 177.584 0.229 0.000 1.169 728 A CA 1.490 53.406 52.037 -0.201 0.000 0.635 728 A CB -0.502 18.291 19.000 -0.344 0.000 0.810 728 A HN 0.714 nan 8.150 nan 0.000 0.446 729 Q N 0.175 119.999 119.800 0.041 0.000 2.135 729 Q HA -0.235 4.096 4.340 -0.015 0.000 0.204 729 Q C 1.905 177.988 176.000 0.138 0.000 0.981 729 Q CA 2.248 58.103 55.803 0.087 0.000 0.856 729 Q CB -0.357 28.380 28.738 -0.002 0.000 0.902 729 Q HN 0.769 nan 8.270 nan 0.000 0.425 730 E N -1.340 118.878 120.200 0.031 0.000 2.097 730 E HA -0.254 4.087 4.350 -0.015 0.000 0.196 730 E C 1.538 178.066 176.600 -0.121 0.000 1.000 730 E CA 1.600 57.942 56.400 -0.096 0.000 0.804 730 E CB -0.200 29.349 29.700 -0.253 0.000 0.740 730 E HN 0.593 nan 8.360 nan 0.000 0.454 731 Y N -1.211 119.154 120.300 0.109 0.000 2.220 731 Y HA -0.183 4.357 4.550 -0.015 0.000 0.291 731 Y C 2.201 178.089 175.900 -0.019 0.000 1.129 731 Y CA 1.418 59.566 58.100 0.081 0.000 1.161 731 Y CB -0.721 37.841 38.460 0.171 0.000 0.997 731 Y HN 0.212 nan 8.280 nan 0.000 0.522 732 Y N 1.444 121.765 120.300 0.035 0.000 2.114 732 Y HA -0.304 4.237 4.550 -0.015 0.000 0.282 732 Y C 1.855 177.718 175.900 -0.062 0.000 1.165 732 Y CA 1.983 60.026 58.100 -0.095 0.000 1.148 732 Y CB -0.395 38.069 38.460 0.008 0.000 0.972 732 Y HN 0.083 nan 8.280 nan 0.000 0.504 733 D N -0.379 120.100 120.400 0.130 0.000 2.178 733 D HA -0.108 4.522 4.640 -0.015 0.000 0.202 733 D C 1.849 178.115 176.300 -0.057 0.000 0.974 733 D CA 1.313 55.333 54.000 0.034 0.000 0.841 733 D CB -0.129 40.716 40.800 0.074 0.000 0.953 733 D HN 0.481 nan 8.370 nan 0.000 0.478 734 R N -0.288 120.180 120.500 -0.052 0.000 2.334 734 R HA 0.287 4.618 4.340 -0.015 0.000 0.212 734 R C 0.287 176.561 176.300 -0.043 0.000 0.897 734 R CA 0.058 56.129 56.100 -0.049 0.000 1.056 734 R CB 1.144 31.413 30.300 -0.052 0.000 1.046 734 R HN 0.149 nan 8.270 nan 0.000 0.513 735 I N 2.052 122.576 120.570 -0.076 0.000 2.437 735 I HA 0.226 4.386 4.170 -0.015 0.000 0.279 735 I C -1.960 174.059 176.117 -0.163 0.000 1.028 735 I CA -2.366 58.894 61.300 -0.068 0.000 1.142 735 I CB 2.194 40.189 38.000 -0.009 0.000 1.266 735 I HN -0.287 nan 8.210 nan 0.000 0.461 736 P HA -0.158 nan 4.420 nan 0.000 0.215 736 P C 1.194 178.400 177.300 -0.157 0.000 1.153 736 P CA 1.373 64.382 63.100 -0.152 0.000 0.853 736 P CB 0.311 31.956 31.700 -0.093 0.000 0.788 737 E N -0.893 119.252 120.200 -0.091 0.000 2.077 737 E HA -0.175 4.165 4.350 -0.015 0.000 0.193 737 E C 1.884 178.388 176.600 -0.161 0.000 0.989 737 E CA 0.800 57.163 56.400 -0.061 0.000 0.800 737 E CB -0.656 29.081 29.700 0.062 0.000 0.746 737 E HN 0.113 nan 8.360 nan 0.000 0.452 738 L N 1.309 122.345 121.223 -0.312 0.000 2.093 738 L HA -0.133 4.198 4.340 -0.015 0.000 0.208 738 L C 2.326 178.920 176.870 -0.459 0.000 1.085 738 L CA 1.611 56.090 54.840 -0.603 0.000 0.755 738 L CB -0.320 41.221 42.059 -0.864 0.000 0.904 738 L HN -0.080 nan 8.230 nan 0.000 0.435 739 R N -0.903 119.313 120.500 -0.475 0.000 2.073 739 R HA -0.229 4.102 4.340 -0.015 0.000 0.234 739 R C 2.407 178.542 176.300 -0.275 0.000 1.134 739 R CA 1.956 57.688 56.100 -0.612 0.000 0.952 739 R CB -0.349 29.512 30.300 -0.733 0.000 0.850 739 R HN 0.591 nan 8.270 nan 0.000 0.433 740 Q N 0.490 120.166 119.800 -0.207 0.000 2.061 740 Q HA -0.203 4.128 4.340 -0.015 0.000 0.204 740 Q C 2.112 178.067 176.000 -0.076 0.000 0.984 740 Q CA 2.087 57.816 55.803 -0.123 0.000 0.846 740 Q CB -0.147 28.519 28.738 -0.121 0.000 0.902 740 Q HN 0.456 nan 8.270 nan 0.000 0.421 741 I N 0.711 121.232 120.570 -0.082 0.000 2.163 741 I HA -0.317 3.844 4.170 -0.015 0.000 0.243 741 I C 2.183 178.331 176.117 0.051 0.000 1.085 741 I CA 0.819 62.110 61.300 -0.015 0.000 1.347 741 I CB -0.368 37.591 38.000 -0.067 0.000 1.044 741 I HN 0.315 nan 8.210 nan 0.000 0.408 742 I N 0.694 121.295 120.570 0.053 0.000 2.315 742 I HA -0.224 3.937 4.170 -0.015 0.000 0.248 742 I C 2.478 178.708 176.117 0.188 0.000 1.117 742 I CA 1.579 62.983 61.300 0.174 0.000 1.404 742 I CB -1.276 36.923 38.000 0.332 0.000 1.071 742 I HN 0.342 nan 8.210 nan 0.000 0.419 743 E N 0.422 120.713 120.200 0.152 0.000 2.051 743 E HA -0.252 4.089 4.350 -0.015 0.000 0.192 743 E C 2.187 178.861 176.600 0.124 0.000 0.991 743 E CA 1.144 57.621 56.400 0.129 0.000 0.799 743 E CB -0.117 29.624 29.700 0.069 0.000 0.748 743 E HN 0.569 nan 8.360 nan 0.000 0.449 744 Q N 0.410 120.267 119.800 0.095 0.000 2.050 744 Q HA -0.160 4.171 4.340 -0.015 0.000 0.202 744 Q C 2.397 178.595 176.000 0.330 0.000 0.980 744 Q CA 1.081 56.959 55.803 0.125 0.000 0.840 744 Q CB -0.095 28.646 28.738 0.004 0.000 0.898 744 Q HN 0.303 nan 8.270 nan 0.000 0.424 745 L N 0.021 121.444 121.223 0.334 0.000 2.017 745 L HA -0.217 4.114 4.340 -0.015 0.000 0.208 745 L C 2.487 179.552 176.870 0.326 0.000 1.073 745 L CA 1.183 56.239 54.840 0.360 0.000 0.745 745 L CB -0.440 41.745 42.059 0.210 0.000 0.894 745 L HN 0.168 nan 8.230 nan 0.000 0.432 746 S N -0.225 115.617 115.700 0.237 0.000 2.356 746 S HA -0.166 4.295 4.470 -0.015 0.000 0.223 746 S C 2.083 176.787 174.600 0.174 0.000 1.032 746 S CA 1.542 59.857 58.200 0.192 0.000 1.005 746 S CB -0.351 62.940 63.200 0.153 0.000 0.867 746 S HN 0.608 nan 8.310 nan 0.000 0.449 747 S N 0.690 116.494 115.700 0.174 0.000 2.515 747 S HA 0.260 4.721 4.470 -0.015 0.000 0.231 747 S C 1.478 176.168 174.600 0.150 0.000 0.987 747 S CA 0.769 59.056 58.200 0.145 0.000 0.936 747 S CB -0.331 62.949 63.200 0.133 0.000 0.766 747 S HN 0.934 nan 8.310 nan 0.000 0.528 748 G N 0.395 109.316 108.800 0.202 0.000 2.131 748 G HA2 -0.269 3.682 3.960 -0.015 0.000 0.201 748 G HA3 -0.269 3.682 3.960 -0.015 0.000 0.201 748 G C 0.152 175.143 174.900 0.150 0.000 1.000 748 G CA 0.101 45.305 45.100 0.174 0.000 0.680 748 G HN 0.498 nan 8.290 nan 0.000 0.514 749 F N 0.255 120.212 119.950 0.011 0.000 2.126 749 F HA 0.155 4.673 4.527 -0.015 0.000 0.299 749 F C 1.954 177.560 175.800 -0.324 0.000 1.096 749 F CA 2.129 60.006 58.000 -0.205 0.000 1.255 749 F CB -0.051 38.736 39.000 -0.355 0.000 0.997 749 F HN 0.185 nan 8.300 nan 0.000 0.479 750 F N -0.440 119.666 119.950 0.259 0.000 2.727 750 F HA 0.192 4.710 4.527 -0.015 0.000 0.302 750 F C 0.627 176.542 175.800 0.193 0.000 1.097 750 F CA 0.253 58.362 58.000 0.180 0.000 1.330 750 F CB -0.115 39.007 39.000 0.204 0.000 1.084 750 F HN -0.058 nan 8.300 nan 0.000 0.578 751 S N -1.697 114.151 115.700 0.246 0.000 2.386 751 S HA 0.322 4.782 4.470 -0.015 0.000 0.152 751 S C -2.498 172.111 174.600 0.015 0.000 1.511 751 S CA -1.047 57.210 58.200 0.095 0.000 1.246 751 S CB 1.030 64.214 63.200 -0.028 0.000 1.338 751 S HN -0.188 nan 8.310 nan 0.000 0.409 752 P HA -0.051 nan 4.420 nan 0.000 0.217 752 P C 1.199 178.482 177.300 -0.028 0.000 1.150 752 P CA 1.167 64.239 63.100 -0.047 0.000 0.832 752 P CB 0.140 31.789 31.700 -0.086 0.000 0.787 753 K N -0.806 119.578 120.400 -0.027 0.000 2.103 753 K HA -0.032 4.279 4.320 -0.015 0.000 0.204 753 K C 0.767 177.357 176.600 -0.017 0.000 1.052 753 K CA 0.940 57.215 56.287 -0.020 0.000 0.945 753 K CB -0.090 32.401 32.500 -0.016 0.000 0.722 753 K HN 0.284 nan 8.250 nan 0.000 0.443 754 Q N 0.291 120.075 119.800 -0.026 0.000 2.644 754 Q HA 0.149 4.480 4.340 -0.015 0.000 0.245 754 Q C -2.292 173.683 176.000 -0.043 0.000 1.064 754 Q CA -1.724 54.057 55.803 -0.037 0.000 0.860 754 Q CB 1.492 30.199 28.738 -0.052 0.000 1.145 754 Q HN -0.041 nan 8.270 nan 0.000 0.515 755 P HA -0.194 nan 4.420 nan 0.000 0.219 755 P C 0.503 177.826 177.300 0.038 0.000 1.146 755 P CA 1.316 64.432 63.100 0.026 0.000 0.808 755 P CB 0.245 31.965 31.700 0.032 0.000 0.779 756 D N -1.348 119.059 120.400 0.012 0.000 2.424 756 D HA 0.004 4.635 4.640 -0.015 0.000 0.220 756 D C 1.551 177.841 176.300 -0.018 0.000 1.150 756 D CA -0.307 53.711 54.000 0.029 0.000 0.831 756 D CB -0.724 40.098 40.800 0.038 0.000 0.981 756 D HN -0.007 nan 8.370 nan 0.000 0.500 757 L N 0.028 121.166 121.223 -0.143 0.000 2.051 757 L HA -0.079 4.252 4.340 -0.015 0.000 0.214 757 L C 1.165 177.850 176.870 -0.308 0.000 1.076 757 L CA 1.739 56.389 54.840 -0.318 0.000 0.758 757 L CB -0.648 41.023 42.059 -0.646 0.000 0.890 757 L HN 0.014 nan 8.230 nan 0.000 0.433 758 F N -0.562 119.447 119.950 0.098 0.000 2.660 758 F HA 0.130 4.648 4.527 -0.015 0.000 0.297 758 F C 1.859 177.714 175.800 0.092 0.000 1.132 758 F CA -0.111 57.937 58.000 0.081 0.000 1.372 758 F CB -0.336 38.700 39.000 0.060 0.000 1.003 758 F HN 0.124 nan 8.300 nan 0.000 0.524 759 K N -0.314 120.207 120.400 0.201 0.000 2.097 759 K HA -0.184 4.127 4.320 -0.015 0.000 0.206 759 K C 1.030 177.734 176.600 0.174 0.000 1.049 759 K CA 1.908 58.295 56.287 0.167 0.000 0.933 759 K CB -0.243 32.329 32.500 0.121 0.000 0.717 759 K HN 0.064 nan 8.250 nan 0.000 0.442 760 D N 1.425 121.939 120.400 0.191 0.000 2.097 760 D HA -0.111 4.520 4.640 -0.015 0.000 0.195 760 D C 2.052 178.463 176.300 0.184 0.000 0.989 760 D CA 1.286 55.406 54.000 0.200 0.000 0.827 760 D CB -0.158 40.799 40.800 0.262 0.000 0.966 760 D HN 0.291 nan 8.370 nan 0.000 0.456 761 I N 0.509 121.190 120.570 0.185 0.000 2.179 761 I HA -0.234 3.926 4.170 -0.015 0.000 0.242 761 I C 2.454 178.632 176.117 0.103 0.000 1.088 761 I CA 0.669 62.046 61.300 0.128 0.000 1.357 761 I CB -0.293 37.767 38.000 0.101 0.000 1.051 761 I HN -0.098 nan 8.210 nan 0.000 0.409 762 V N 1.229 121.220 119.914 0.129 0.000 2.295 762 V HA -0.306 3.805 4.120 -0.015 0.000 0.246 762 V C 2.289 178.412 176.094 0.049 0.000 1.049 762 V CA 2.400 64.761 62.300 0.101 0.000 1.024 762 V CB -0.994 30.906 31.823 0.129 0.000 0.648 762 V HN 0.480 nan 8.190 nan 0.000 0.447 763 N N -0.006 118.761 118.700 0.112 0.000 2.069 763 N HA -0.230 4.501 4.740 -0.015 0.000 0.191 763 N C 1.850 177.450 175.510 0.149 0.000 1.031 763 N CA 2.075 55.231 53.050 0.177 0.000 0.852 763 N CB -0.338 38.294 38.487 0.240 0.000 1.018 763 N HN 0.339 nan 8.380 nan 0.000 0.423 764 M N -0.258 119.432 119.600 0.149 0.000 2.067 764 M HA -0.108 4.363 4.480 -0.015 0.000 0.260 764 M C 1.479 177.778 176.300 -0.002 0.000 1.069 764 M CA 1.272 56.662 55.300 0.150 0.000 1.117 764 M CB -0.693 31.998 32.600 0.151 0.000 1.334 764 M HN 0.196 nan 8.290 nan 0.000 0.407 765 L N 0.695 121.858 121.223 -0.099 0.000 2.042 765 L HA -0.232 4.099 4.340 -0.015 0.000 0.210 765 L C 2.483 179.028 176.870 -0.542 0.000 1.076 765 L CA 1.682 56.311 54.840 -0.351 0.000 0.749 765 L CB -1.203 40.667 42.059 -0.315 0.000 0.893 765 L HN 0.356 nan 8.230 nan 0.000 0.432 766 M N -1.907 117.439 119.600 -0.424 0.000 2.236 766 M HA -0.079 4.392 4.480 -0.015 0.000 0.266 766 M C 1.978 177.864 176.300 -0.689 0.000 1.070 766 M CA 1.505 56.445 55.300 -0.600 0.000 1.137 766 M CB -0.836 31.277 32.600 -0.811 0.000 1.378 766 M HN 0.340 nan 8.290 nan 0.000 0.426 767 H N -2.318 116.609 119.070 -0.238 0.000 2.800 767 H HA 0.259 4.806 4.556 -0.015 0.000 0.257 767 H C 0.405 175.346 175.328 -0.645 0.000 0.967 767 H CA 0.508 56.270 56.048 -0.476 0.000 1.192 767 H CB 0.608 29.995 29.762 -0.625 0.000 1.441 767 H HN 0.428 nan 8.280 nan 0.000 0.461 768 H N 0.586 119.711 119.070 0.092 0.000 2.676 768 H HA 0.141 4.688 4.556 -0.015 0.000 0.238 768 H C -0.625 174.729 175.328 0.043 0.000 1.276 768 H CA -0.213 55.878 56.048 0.073 0.000 0.983 768 H CB 0.964 30.773 29.762 0.079 0.000 2.000 768 H HN 0.116 nan 8.280 nan 0.000 0.584 769 D N 1.333 121.793 120.400 0.099 0.000 2.422 769 D HA 0.097 4.728 4.640 -0.015 0.000 0.227 769 D C 1.192 177.455 176.300 -0.061 0.000 1.190 769 D CA -0.302 53.730 54.000 0.054 0.000 0.905 769 D CB 0.501 41.319 40.800 0.029 0.000 1.034 769 D HN 0.217 nan 8.370 nan 0.000 0.507 770 R N 2.173 122.535 120.500 -0.231 0.000 2.237 770 R HA -0.052 4.278 4.340 -0.015 0.000 0.219 770 R C 0.570 176.377 176.300 -0.822 0.000 1.080 770 R CA 0.899 56.638 56.100 -0.602 0.000 0.995 770 R CB 0.109 29.837 30.300 -0.954 0.000 0.875 770 R HN 0.406 nan 8.270 nan 0.000 0.462 771 F N 0.067 119.970 119.950 -0.079 0.000 2.688 771 F HA 0.277 4.795 4.527 -0.015 0.000 0.310 771 F C 0.028 175.703 175.800 -0.209 0.000 1.098 771 F CA -0.685 57.256 58.000 -0.099 0.000 1.228 771 F CB 0.318 39.320 39.000 0.003 0.000 1.042 771 F HN -0.254 nan 8.300 nan 0.000 0.557 772 K N -0.302 119.911 120.400 -0.311 0.000 3.150 772 K HA -0.170 4.141 4.320 -0.015 0.000 0.267 772 K C 0.927 177.409 176.600 -0.197 0.000 1.028 772 K CA 0.219 56.127 56.287 -0.632 0.000 0.753 772 K CB -1.936 30.113 32.500 -0.751 0.000 1.288 772 K HN 0.205 nan 8.250 nan 0.000 0.473 773 V N -0.008 119.877 119.914 -0.049 0.000 2.287 773 V HA -0.294 3.817 4.120 -0.015 0.000 0.248 773 V C 1.972 178.211 176.094 0.243 0.000 1.053 773 V CA 2.359 64.708 62.300 0.083 0.000 1.027 773 V CB -0.520 31.354 31.823 0.085 0.000 0.646 773 V HN 0.492 nan 8.190 nan 0.000 0.447 774 F N 0.266 120.230 119.950 0.025 0.000 2.171 774 F HA -0.198 4.320 4.527 -0.015 0.000 0.300 774 F C 2.538 178.136 175.800 -0.337 0.000 1.090 774 F CA 0.667 58.629 58.000 -0.063 0.000 1.293 774 F CB -0.387 38.597 39.000 -0.027 0.000 1.013 774 F HN 0.201 nan 8.300 nan 0.000 0.486 775 A N -0.465 122.194 122.820 -0.268 0.000 2.019 775 A HA -0.199 4.112 4.320 -0.015 0.000 0.219 775 A C 1.535 179.099 177.584 -0.034 0.000 1.164 775 A CA 1.912 53.682 52.037 -0.445 0.000 0.644 775 A CB -0.461 18.427 19.000 -0.186 0.000 0.805 775 A HN 0.236 nan 8.150 nan 0.000 0.449 776 D N -2.826 117.623 120.400 0.081 0.000 2.379 776 D HA 0.071 4.701 4.640 -0.015 0.000 0.208 776 D C 1.249 177.709 176.300 0.268 0.000 1.065 776 D CA 0.065 54.192 54.000 0.211 0.000 0.848 776 D CB -0.125 40.816 40.800 0.234 0.000 0.949 776 D HN 0.591 nan 8.370 nan 0.000 0.509 777 Y N 2.073 122.451 120.300 0.131 0.000 2.097 777 Y HA -0.224 4.317 4.550 -0.015 0.000 0.282 777 Y C 2.136 178.118 175.900 0.137 0.000 1.152 777 Y CA 1.908 60.095 58.100 0.145 0.000 1.136 777 Y CB 0.128 38.643 38.460 0.092 0.000 0.975 777 Y HN -0.112 nan 8.280 nan 0.000 0.498 778 E N -0.038 120.228 120.200 0.111 0.000 2.038 778 E HA -0.267 4.073 4.350 -0.015 0.000 0.195 778 E C 2.253 178.818 176.600 -0.058 0.000 1.000 778 E CA 1.553 57.949 56.400 -0.007 0.000 0.803 778 E CB -0.212 29.588 29.700 0.167 0.000 0.750 778 E HN 0.609 nan 8.360 nan 0.000 0.448 779 E N -0.425 119.817 120.200 0.071 0.000 2.153 779 E HA -0.203 4.138 4.350 -0.015 0.000 0.194 779 E C 1.894 178.486 176.600 -0.014 0.000 0.988 779 E CA 0.684 57.145 56.400 0.101 0.000 0.811 779 E CB -0.064 29.779 29.700 0.239 0.000 0.746 779 E HN 0.251 nan 8.360 nan 0.000 0.466 780 Y N 0.840 120.946 120.300 -0.324 0.000 2.114 780 Y HA -0.229 4.312 4.550 -0.015 0.000 0.284 780 Y C 2.104 177.602 175.900 -0.671 0.000 1.143 780 Y CA 1.197 58.768 58.100 -0.882 0.000 1.135 780 Y CB -0.583 37.392 38.460 -0.807 0.000 0.980 780 Y HN -0.185 nan 8.280 nan 0.000 0.499 781 V N 0.548 120.090 119.914 -0.619 0.000 2.287 781 V HA -0.340 3.771 4.120 -0.015 0.000 0.248 781 V C 2.368 178.222 176.094 -0.401 0.000 1.053 781 V CA 2.409 64.366 62.300 -0.572 0.000 1.027 781 V CB -0.693 30.817 31.823 -0.521 0.000 0.646 781 V HN 0.253 nan 8.190 nan 0.000 0.447 782 K N -0.697 119.536 120.400 -0.278 0.000 2.032 782 K HA -0.214 4.097 4.320 -0.015 0.000 0.209 782 K C 2.272 178.774 176.600 -0.163 0.000 1.048 782 K CA 1.936 58.128 56.287 -0.158 0.000 0.927 782 K CB -0.783 31.674 32.500 -0.071 0.000 0.712 782 K HN 0.572 nan 8.250 nan 0.000 0.441 783 C N 0.821 119.995 119.300 -0.209 0.000 2.435 783 C HA -0.054 4.397 4.460 -0.015 0.000 0.279 783 C C 2.447 177.247 174.990 -0.317 0.000 1.321 783 C CA 0.602 59.529 59.018 -0.152 0.000 1.752 783 C CB -0.696 26.991 27.740 -0.088 0.000 1.959 783 C HN 0.455 nan 8.230 nan 0.000 0.500 784 Q N 0.548 120.014 119.800 -0.558 0.000 2.170 784 Q HA -0.169 4.162 4.340 -0.015 0.000 0.203 784 Q C 1.985 177.774 176.000 -0.353 0.000 0.976 784 Q CA 1.640 57.064 55.803 -0.632 0.000 0.858 784 Q CB -0.374 27.720 28.738 -1.073 0.000 0.907 784 Q HN 0.762 nan 8.270 nan 0.000 0.433 785 E N 0.204 120.262 120.200 -0.238 0.000 2.110 785 E HA -0.140 4.201 4.350 -0.015 0.000 0.193 785 E C 2.061 178.617 176.600 -0.073 0.000 0.988 785 E CA 0.628 56.954 56.400 -0.123 0.000 0.804 785 E CB -0.014 29.635 29.700 -0.085 0.000 0.745 785 E HN 0.257 nan 8.360 nan 0.000 0.458 786 R N 0.406 120.871 120.500 -0.059 0.000 2.115 786 R HA -0.069 4.262 4.340 -0.015 0.000 0.230 786 R C 2.381 178.700 176.300 0.032 0.000 1.111 786 R CA 0.781 56.920 56.100 0.065 0.000 0.976 786 R CB -0.247 30.167 30.300 0.189 0.000 0.870 786 R HN 0.067 nan 8.270 nan 0.000 0.445 787 V N 0.592 120.301 119.914 -0.341 0.000 2.261 787 V HA -0.245 3.866 4.120 -0.015 0.000 0.246 787 V C 2.194 178.273 176.094 -0.026 0.000 1.047 787 V CA 2.003 63.992 62.300 -0.517 0.000 1.015 787 V CB -0.402 30.998 31.823 -0.704 0.000 0.642 787 V HN 0.273 nan 8.190 nan 0.000 0.446 788 S N 0.029 115.682 115.700 -0.078 0.000 2.382 788 S HA -0.173 4.288 4.470 -0.015 0.000 0.228 788 S C 2.216 176.877 174.600 0.101 0.000 1.027 788 S CA 1.385 59.578 58.200 -0.013 0.000 0.991 788 S CB -0.522 62.638 63.200 -0.067 0.000 0.823 788 S HN 0.649 nan 8.310 nan 0.000 0.469 789 A N 1.555 124.435 122.820 0.101 0.000 1.883 789 A HA -0.059 4.252 4.320 -0.015 0.000 0.217 789 A C 2.113 179.819 177.584 0.202 0.000 1.186 789 A CA 1.252 53.371 52.037 0.137 0.000 0.624 789 A CB -0.820 18.250 19.000 0.117 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.444 790 L N -2.091 119.313 121.223 0.301 0.000 2.093 790 L HA -0.164 4.167 4.340 -0.015 0.000 0.208 790 L C 2.498 179.654 176.870 0.477 0.000 1.085 790 L CA 1.942 57.035 54.840 0.423 0.000 0.755 790 L CB -0.465 41.960 42.059 0.610 0.000 0.904 790 L HN 0.608 nan 8.230 nan 0.000 0.435 791 Y N 1.003 121.458 120.300 0.259 0.000 2.274 791 Y HA -0.279 4.263 4.550 -0.014 0.000 0.290 791 Y C 2.464 178.313 175.900 -0.084 0.000 1.145 791 Y CA 1.648 59.646 58.100 -0.171 0.000 1.203 791 Y CB -0.058 38.078 38.460 -0.540 0.000 0.984 791 Y HN 0.067 nan 8.280 nan 0.000 0.533 792 K N -0.088 120.373 120.400 0.101 0.000 2.360 792 K HA -0.171 4.139 4.320 -0.015 0.000 0.201 792 K C 0.350 176.944 176.600 -0.010 0.000 1.046 792 K CA 0.974 57.298 56.287 0.062 0.000 0.940 792 K CB -0.149 32.429 32.500 0.129 0.000 0.748 792 K HN 0.069 nan 8.250 nan 0.000 0.465 793 N N 0.197 118.906 118.700 0.015 0.000 2.898 793 N HA 0.141 4.872 4.740 -0.015 0.000 0.245 793 N C -2.450 173.067 175.510 0.012 0.000 1.185 793 N CA -2.289 50.772 53.050 0.018 0.000 0.879 793 N CB 1.207 39.734 38.487 0.067 0.000 1.157 793 N HN -0.205 nan 8.380 nan 0.000 0.503 794 P HA -0.181 nan 4.420 nan 0.000 0.217 794 P C 1.346 178.660 177.300 0.023 0.000 1.151 794 P CA 1.127 64.159 63.100 -0.114 0.000 0.849 794 P CB 0.376 31.979 31.700 -0.161 0.000 0.787 795 R N 0.035 120.548 120.500 0.023 0.000 2.075 795 R HA -0.129 4.202 4.340 -0.015 0.000 0.232 795 R C 1.870 178.213 176.300 0.073 0.000 1.126 795 R CA 1.340 57.464 56.100 0.040 0.000 0.963 795 R CB -0.362 29.952 30.300 0.023 0.000 0.858 795 R HN 0.068 nan 8.270 nan 0.000 0.435 796 E N 0.066 120.319 120.200 0.089 0.000 2.152 796 E HA -0.206 4.135 4.350 -0.015 0.000 0.192 796 E C 1.590 178.270 176.600 0.133 0.000 0.983 796 E CA 0.578 57.034 56.400 0.094 0.000 0.818 796 E CB -0.430 29.322 29.700 0.087 0.000 0.758 796 E HN 0.499 nan 8.360 nan 0.000 0.467 797 W N 2.198 123.502 121.300 0.006 0.000 2.333 797 W HA -0.209 4.442 4.660 -0.016 0.000 0.316 797 W C 1.650 178.181 176.519 0.021 0.000 1.215 797 W CA 2.220 59.585 57.345 0.033 0.000 1.278 797 W CB -0.463 28.988 29.460 -0.014 0.000 1.154 797 W HN 0.038 nan 8.180 nan 0.000 0.486 798 T N 1.117 115.814 114.554 0.240 0.000 2.788 798 T HA -0.168 4.172 4.350 -0.015 0.000 0.268 798 T C 1.845 176.560 174.700 0.024 0.000 1.044 798 T CA 1.672 63.844 62.100 0.120 0.000 1.139 798 T CB -0.333 68.588 68.868 0.087 0.000 0.867 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.358 120.877 120.500 0.032 0.000 2.120 799 R HA 0.093 4.424 4.340 -0.015 0.000 0.234 799 R C 2.475 178.768 176.300 -0.012 0.000 1.123 799 R CA 1.130 57.246 56.100 0.028 0.000 0.975 799 R CB -0.312 30.010 30.300 0.036 0.000 0.866 799 R HN 0.375 nan 8.270 nan 0.000 0.446 800 M N 0.336 119.892 119.600 -0.074 0.000 2.156 800 M HA -0.127 4.344 4.480 -0.015 0.000 0.264 800 M C 1.954 178.164 176.300 -0.150 0.000 1.067 800 M CA 1.314 56.530 55.300 -0.140 0.000 1.131 800 M CB 0.193 32.647 32.600 -0.243 0.000 1.368 800 M HN -0.030 nan 8.290 nan 0.000 0.416 801 V N 1.046 120.849 119.914 -0.184 0.000 2.282 801 V HA -0.332 3.779 4.120 -0.015 0.000 0.249 801 V C 2.212 178.294 176.094 -0.021 0.000 1.057 801 V CA 2.156 64.387 62.300 -0.116 0.000 1.032 801 V CB -0.659 31.122 31.823 -0.071 0.000 0.645 801 V HN 0.508 nan 8.190 nan 0.000 0.447 802 I N -0.723 119.855 120.570 0.013 0.000 2.208 802 I HA -0.275 3.886 4.170 -0.015 0.000 0.245 802 I C 2.723 178.894 176.117 0.091 0.000 1.097 802 I CA 1.644 63.004 61.300 0.099 0.000 1.363 802 I CB -0.443 37.671 38.000 0.191 0.000 1.051 802 I HN 0.186 nan 8.210 nan 0.000 0.413 803 R N 0.499 121.027 120.500 0.048 0.000 2.120 803 R HA -0.134 4.197 4.340 -0.015 0.000 0.234 803 R C 2.109 178.436 176.300 0.046 0.000 1.123 803 R CA 1.306 57.429 56.100 0.039 0.000 0.975 803 R CB -0.347 29.959 30.300 0.010 0.000 0.866 803 R HN 0.528 nan 8.270 nan 0.000 0.446 804 N N 0.508 119.228 118.700 0.034 0.000 2.062 804 N HA -0.119 4.611 4.740 -0.015 0.000 0.191 804 N C 1.969 177.532 175.510 0.088 0.000 1.042 804 N CA 1.235 54.324 53.050 0.065 0.000 0.845 804 N CB -0.110 38.397 38.487 0.033 0.000 1.024 804 N HN 0.122 nan 8.380 nan 0.000 0.424 805 I N 1.700 122.314 120.570 0.074 0.000 2.194 805 I HA -0.272 3.889 4.170 -0.015 0.000 0.246 805 I C 2.444 178.609 176.117 0.080 0.000 1.093 805 I CA 1.038 62.386 61.300 0.081 0.000 1.355 805 I CB -0.324 37.720 38.000 0.072 0.000 1.046 805 I HN 0.120 nan 8.210 nan 0.000 0.413 806 A N 0.212 123.078 122.820 0.077 0.000 2.067 806 A HA -0.161 4.150 4.320 -0.015 0.000 0.219 806 A C 2.103 179.722 177.584 0.058 0.000 1.158 806 A CA 2.049 54.121 52.037 0.059 0.000 0.661 806 A CB -0.826 18.213 19.000 0.065 0.000 0.801 806 A HN 0.541 nan 8.150 nan 0.000 0.452 807 T N -2.925 111.679 114.554 0.083 0.000 3.129 807 T HA 0.166 4.506 4.350 -0.015 0.000 0.267 807 T C 1.167 175.961 174.700 0.156 0.000 1.018 807 T CA 0.638 62.793 62.100 0.090 0.000 0.903 807 T CB -0.174 68.747 68.868 0.088 0.000 1.067 807 T HN 0.487 nan 8.240 nan 0.000 0.549 808 S N 0.260 116.069 115.700 0.181 0.000 2.603 808 S HA 0.252 4.712 4.470 -0.015 0.000 0.220 808 S C 2.155 176.894 174.600 0.232 0.000 0.967 808 S CA 0.221 58.605 58.200 0.307 0.000 0.920 808 S CB -0.616 62.728 63.200 0.239 0.000 0.773 808 S HN 0.521 nan 8.310 nan 0.000 0.529 809 G N 2.762 111.614 108.800 0.087 0.000 2.469 809 G HA2 -0.285 3.666 3.960 -0.015 0.000 0.219 809 G HA3 -0.285 3.666 3.960 -0.015 0.000 0.219 809 G C 1.309 176.162 174.900 -0.080 0.000 1.150 809 G CA 1.007 46.121 45.100 0.024 0.000 0.763 809 G HN 0.604 nan 8.290 nan 0.000 0.561 810 K N -0.171 120.059 120.400 -0.285 0.000 2.218 810 K HA -0.077 4.233 4.320 -0.015 0.000 0.205 810 K C 1.331 177.612 176.600 -0.532 0.000 1.046 810 K CA 0.967 56.939 56.287 -0.526 0.000 0.933 810 K CB -0.286 31.694 32.500 -0.866 0.000 0.728 810 K HN 0.426 nan 8.250 nan 0.000 0.454 811 F N 0.683 120.663 119.950 0.050 0.000 2.664 811 F HA 0.144 4.662 4.527 -0.016 0.000 0.301 811 F C 0.783 176.628 175.800 0.076 0.000 1.126 811 F CA -0.631 57.406 58.000 0.060 0.000 1.373 811 F CB 0.477 39.508 39.000 0.051 0.000 1.042 811 F HN -0.123 nan 8.300 nan 0.000 0.535 812 S N 0.398 116.185 115.700 0.144 0.000 2.531 812 S HA 0.049 4.510 4.470 -0.015 0.000 0.279 812 S C 1.461 176.146 174.600 0.141 0.000 1.305 812 S CA -0.162 58.118 58.200 0.132 0.000 1.058 812 S CB 0.771 64.018 63.200 0.078 0.000 0.899 812 S HN 0.361 nan 8.310 nan 0.000 0.493 813 S N 3.380 119.190 115.700 0.183 0.000 2.507 813 S HA -0.085 4.376 4.470 -0.015 0.000 0.235 813 S C 0.996 175.656 174.600 0.100 0.000 0.988 813 S CA 0.725 59.059 58.200 0.222 0.000 0.944 813 S CB -0.333 63.075 63.200 0.346 0.000 0.762 813 S HN 0.791 nan 8.310 nan 0.000 0.526 814 D N 1.916 122.357 120.400 0.068 0.000 2.117 814 D HA -0.086 4.545 4.640 -0.015 0.000 0.197 814 D C 2.125 178.431 176.300 0.010 0.000 0.987 814 D CA 0.816 54.833 54.000 0.027 0.000 0.829 814 D CB -0.326 40.486 40.800 0.022 0.000 0.961 814 D HN 0.282 nan 8.370 nan 0.000 0.460 815 R N 0.800 121.309 120.500 0.014 0.000 2.073 815 R HA -0.095 4.236 4.340 -0.015 0.000 0.234 815 R C 1.958 178.253 176.300 -0.008 0.000 1.134 815 R CA 1.474 57.567 56.100 -0.010 0.000 0.952 815 R CB -0.834 29.445 30.300 -0.035 0.000 0.850 815 R HN 0.130 nan 8.270 nan 0.000 0.433 816 T N 2.199 116.775 114.554 0.036 0.000 2.635 816 T HA -0.140 4.201 4.350 -0.015 0.000 0.267 816 T C 1.925 176.639 174.700 0.022 0.000 1.040 816 T CA 1.475 63.620 62.100 0.075 0.000 1.156 816 T CB -0.136 68.868 68.868 0.227 0.000 0.863 816 T HN 0.117 nan 8.240 nan 0.000 0.430 817 I N 1.575 122.077 120.570 -0.112 0.000 2.315 817 I HA -0.056 4.104 4.170 -0.015 0.000 0.248 817 I C 2.925 178.997 176.117 -0.076 0.000 1.117 817 I CA 0.871 62.061 61.300 -0.183 0.000 1.404 817 I CB -1.619 36.262 38.000 -0.198 0.000 1.071 817 I HN 0.197 nan 8.210 nan 0.000 0.419 818 A N 0.162 122.957 122.820 -0.041 0.000 1.940 818 A HA -0.245 4.066 4.320 -0.015 0.000 0.219 818 A C 2.265 179.805 177.584 -0.075 0.000 1.176 818 A CA 1.514 53.532 52.037 -0.031 0.000 0.631 818 A CB -0.548 18.441 19.000 -0.019 0.000 0.814 818 A HN 0.494 nan 8.150 nan 0.000 0.446 819 Q N -1.889 117.849 119.800 -0.104 0.000 2.083 819 Q HA -0.149 4.182 4.340 -0.015 0.000 0.198 819 Q C 1.917 177.739 176.000 -0.296 0.000 0.969 819 Q CA 1.610 57.310 55.803 -0.171 0.000 0.838 819 Q CB -0.295 28.337 28.738 -0.177 0.000 0.900 819 Q HN 0.816 nan 8.270 nan 0.000 0.436 820 Y N 0.484 120.489 120.300 -0.491 0.000 2.114 820 Y HA -0.320 4.220 4.550 -0.016 0.000 0.282 820 Y C 2.452 177.748 175.900 -1.006 0.000 1.165 820 Y CA 1.325 58.869 58.100 -0.927 0.000 1.148 820 Y CB -0.517 37.089 38.460 -1.424 0.000 0.972 820 Y HN 0.173 nan 8.280 nan 0.000 0.504 821 A N 0.301 122.858 122.820 -0.439 0.000 1.873 821 A HA -0.255 4.055 4.320 -0.015 0.000 0.218 821 A C 2.235 179.826 177.584 0.011 0.000 1.193 821 A CA 2.266 54.313 52.037 0.017 0.000 0.629 821 A CB -0.630 18.466 19.000 0.161 0.000 0.826 821 A HN 0.455 nan 8.150 nan 0.000 0.447 822 R N -0.747 119.722 120.500 -0.052 0.000 2.075 822 R HA -0.019 4.312 4.340 -0.015 0.000 0.226 822 R C 1.888 178.163 176.300 -0.042 0.000 1.114 822 R CA 1.453 57.538 56.100 -0.025 0.000 0.972 822 R CB -0.179 30.103 30.300 -0.030 0.000 0.869 822 R HN 0.668 nan 8.270 nan 0.000 0.437 823 E N -0.453 119.679 120.200 -0.112 0.000 2.415 823 E HA 0.081 4.422 4.350 -0.015 0.000 0.197 823 E C 1.398 177.946 176.600 -0.086 0.000 1.007 823 E CA 0.477 56.817 56.400 -0.101 0.000 0.890 823 E CB 0.525 30.140 29.700 -0.143 0.000 0.891 823 E HN 0.309 nan 8.360 nan 0.000 0.496 824 I N -1.128 119.353 120.570 -0.148 0.000 3.739 824 I HA 0.025 4.186 4.170 -0.015 0.000 0.272 824 I C 1.309 177.565 176.117 0.231 0.000 1.167 824 I CA -0.053 61.219 61.300 -0.047 0.000 1.386 824 I CB 0.279 38.109 38.000 -0.283 0.000 1.490 824 I HN 0.109 nan 8.210 nan 0.000 0.452 825 W N 1.452 122.850 121.300 0.163 0.000 2.737 825 W HA 0.359 5.010 4.660 -0.015 0.000 0.262 825 W C 1.419 177.980 176.519 0.070 0.000 1.282 825 W CA 0.710 58.135 57.345 0.132 0.000 1.386 825 W CB -1.020 28.505 29.460 0.107 0.000 1.099 825 W HN 0.292 nan 8.180 nan 0.000 0.621 826 G N 1.388 110.330 108.800 0.237 0.000 2.289 826 G HA2 -0.094 3.857 3.960 -0.015 0.000 0.280 826 G HA3 -0.094 3.857 3.960 -0.015 0.000 0.280 826 G C -0.369 174.608 174.900 0.129 0.000 1.089 826 G CA 0.233 45.414 45.100 0.135 0.000 0.939 826 G HN 0.370 nan 8.290 nan 0.000 0.499 827 V N -4.160 115.850 119.914 0.159 0.000 3.007 827 V HA 0.890 5.001 4.120 -0.015 0.000 0.311 827 V C -0.355 175.801 176.094 0.105 0.000 1.120 827 V CA -1.733 60.642 62.300 0.126 0.000 0.980 827 V CB 2.335 34.245 31.823 0.144 0.000 1.033 827 V HN 0.136 nan 8.190 nan 0.000 0.429 828 E N 3.873 124.117 120.200 0.074 0.000 2.146 828 E HA 0.492 4.833 4.350 -0.015 0.000 0.282 828 E C -2.454 174.184 176.600 0.063 0.000 0.989 828 E CA -1.733 54.702 56.400 0.059 0.000 0.799 828 E CB 1.763 31.489 29.700 0.044 0.000 1.088 828 E HN 0.719 nan 8.360 nan 0.000 0.397 829 P HA 0.062 nan 4.420 nan 0.000 0.271 829 P C -0.454 176.875 177.300 0.048 0.000 1.233 829 P CA -0.267 62.868 63.100 0.058 0.000 0.789 829 P CB 0.829 32.558 31.700 0.049 0.000 0.951 830 S N 0.409 116.138 115.700 0.049 0.000 2.572 830 S HA 0.301 4.761 4.470 -0.015 0.000 0.274 830 S C 0.395 175.018 174.600 0.039 0.000 1.150 830 S CA -0.731 57.496 58.200 0.044 0.000 0.944 830 S CB 0.952 64.184 63.200 0.053 0.000 1.071 830 S HN 0.270 nan 8.310 nan 0.000 0.479 831 R N 2.249 122.768 120.500 0.031 0.000 2.317 831 R HA 0.192 4.523 4.340 -0.015 0.000 0.208 831 R C 0.009 176.319 176.300 0.016 0.000 0.914 831 R CA 0.101 56.218 56.100 0.028 0.000 1.060 831 R CB 0.045 30.363 30.300 0.029 0.000 1.015 831 R HN 0.676 nan 8.270 nan 0.000 0.498 832 Q N 1.328 121.137 119.800 0.014 0.000 2.332 832 Q HA 0.089 4.420 4.340 -0.015 0.000 0.263 832 Q C -0.097 175.893 176.000 -0.017 0.000 0.979 832 Q CA 0.053 55.856 55.803 0.001 0.000 0.885 832 Q CB 0.864 29.607 28.738 0.009 0.000 1.218 832 Q HN -0.154 nan 8.270 nan 0.000 0.405 833 R N 2.185 122.666 120.500 -0.032 0.000 2.594 833 R HA 0.219 4.549 4.340 -0.015 0.000 0.272 833 R C -0.135 176.119 176.300 -0.076 0.000 1.074 833 R CA -0.131 55.937 56.100 -0.054 0.000 1.105 833 R CB 0.122 30.389 30.300 -0.055 0.000 1.008 833 R HN 0.561 nan 8.270 nan 0.000 0.472 834 L N 3.260 124.420 121.223 -0.105 0.000 2.399 834 L HA 0.308 4.638 4.340 -0.015 0.000 0.266 834 L C -1.843 174.966 176.870 -0.102 0.000 1.114 834 L CA -2.123 52.627 54.840 -0.151 0.000 0.804 834 L CB 0.890 42.823 42.059 -0.209 0.000 1.146 834 L HN 0.225 nan 8.230 nan 0.000 0.451 835 P HA 0.052 nan 4.420 nan 0.000 0.264 835 P C -0.606 176.665 177.300 -0.048 0.000 1.193 835 P CA -0.075 62.990 63.100 -0.058 0.000 0.763 835 P CB 0.673 32.346 31.700 -0.045 0.000 0.810 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.022 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