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 3mtd_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 0.000 175.982 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 12 Q CB 0.000 28.700 28.738 -0.064 0.000 1.108 13 I N -0.536 120.021 120.570 -0.020 0.000 2.562 13 I HA 0.542 4.703 4.170 -0.015 0.000 0.301 13 I C 1.041 177.158 176.117 -0.000 0.000 1.003 13 I CA -0.077 61.219 61.300 -0.006 0.000 1.127 13 I CB 1.955 39.955 38.000 0.000 0.000 1.304 13 I HN 0.174 nan 8.210 nan 0.000 0.446 14 S N 3.822 119.527 115.700 0.009 0.000 2.359 14 S HA -0.173 4.289 4.470 -0.015 0.000 0.224 14 S C 1.772 176.383 174.600 0.017 0.000 1.035 14 S CA 2.066 60.274 58.200 0.013 0.000 1.018 14 S CB -0.697 62.515 63.200 0.021 0.000 0.876 14 S HN 0.880 nan 8.310 nan 0.000 0.448 15 V N -0.195 119.737 119.914 0.029 0.000 3.026 15 V HA 0.140 4.251 4.120 -0.015 0.000 0.265 15 V C 2.066 178.175 176.094 0.024 0.000 1.121 15 V CA 1.473 63.794 62.300 0.035 0.000 1.142 15 V CB -1.137 30.715 31.823 0.048 0.000 0.730 15 V HN 0.409 nan 8.190 nan 0.000 0.503 16 R N 1.278 121.783 120.500 0.009 0.000 2.320 16 R HA 0.431 4.763 4.340 -0.015 0.000 0.211 16 R C 1.121 177.413 176.300 -0.015 0.000 0.931 16 R CA 0.553 56.651 56.100 -0.002 0.000 1.071 16 R CB -0.122 30.173 30.300 -0.010 0.000 1.025 16 R HN 0.782 nan 8.270 nan 0.000 0.495 17 G N 0.551 109.342 108.800 -0.015 0.000 2.757 17 G HA2 -0.215 3.736 3.960 -0.015 0.000 0.638 17 G HA3 -0.215 3.736 3.960 -0.015 0.000 0.638 17 G C -0.889 173.995 174.900 -0.026 0.000 1.344 17 G CA -1.106 43.977 45.100 -0.029 0.000 0.855 17 G HN -0.023 nan 8.290 nan 0.000 0.537 18 L N 0.318 121.523 121.223 -0.030 0.000 2.371 18 L HA 0.644 4.975 4.340 -0.015 0.000 0.272 18 L C 1.274 178.130 176.870 -0.024 0.000 1.124 18 L CA 0.426 55.252 54.840 -0.024 0.000 0.816 18 L CB 0.926 42.972 42.059 -0.022 0.000 1.129 18 L HN 1.531 nan 8.230 nan 0.000 0.448 19 A N 2.436 125.245 122.820 -0.018 0.000 3.158 19 A HA 0.572 4.883 4.320 -0.015 0.000 0.319 19 A C 0.733 178.313 177.584 -0.007 0.000 1.204 19 A CA -0.333 51.696 52.037 -0.014 0.000 0.992 19 A CB -0.431 18.560 19.000 -0.015 0.000 1.110 19 A HN 0.795 nan 8.150 nan 0.000 0.519 20 G N -0.462 108.335 108.800 -0.006 0.000 2.491 20 G HA2 0.331 4.282 3.960 -0.015 0.000 0.242 20 G HA3 0.331 4.282 3.960 -0.015 0.000 0.242 20 G C 1.098 176.002 174.900 0.007 0.000 1.266 20 G CA 0.277 45.377 45.100 -0.000 0.000 0.844 20 G HN 0.754 nan 8.290 nan 0.000 0.571 21 V N 1.589 121.508 119.914 0.009 0.000 2.287 21 V HA -0.167 3.944 4.120 -0.015 0.000 0.248 21 V C 2.588 178.693 176.094 0.017 0.000 1.053 21 V CA 2.883 65.191 62.300 0.012 0.000 1.027 21 V CB -0.425 31.404 31.823 0.011 0.000 0.646 21 V HN 0.877 nan 8.190 nan 0.000 0.447 22 E N 0.122 120.332 120.200 0.018 0.000 2.077 22 E HA -0.181 4.161 4.350 -0.015 0.000 0.193 22 E C 2.081 178.702 176.600 0.035 0.000 0.989 22 E CA 1.643 58.058 56.400 0.025 0.000 0.800 22 E CB -0.226 29.488 29.700 0.023 0.000 0.746 22 E HN 0.616 nan 8.360 nan 0.000 0.452 23 N N -0.439 118.280 118.700 0.031 0.000 2.120 23 N HA -0.126 4.605 4.740 -0.015 0.000 0.188 23 N C 1.727 177.262 175.510 0.043 0.000 1.024 23 N CA 1.015 54.089 53.050 0.039 0.000 0.852 23 N CB -0.343 38.153 38.487 0.015 0.000 1.003 23 N HN 0.015 nan 8.380 nan 0.000 0.424 24 V N 0.671 120.602 119.914 0.028 0.000 2.295 24 V HA -0.210 3.901 4.120 -0.015 0.000 0.246 24 V C 2.139 178.255 176.094 0.036 0.000 1.049 24 V CA 1.854 64.171 62.300 0.028 0.000 1.024 24 V CB -0.999 30.835 31.823 0.019 0.000 0.648 24 V HN 0.353 nan 8.190 nan 0.000 0.447 25 T N -0.604 113.971 114.554 0.035 0.000 2.708 25 T HA -0.230 4.111 4.350 -0.015 0.000 0.266 25 T C 1.942 176.676 174.700 0.056 0.000 1.037 25 T CA 1.829 63.952 62.100 0.037 0.000 1.146 25 T CB -0.234 68.652 68.868 0.030 0.000 0.865 25 T HN 0.431 nan 8.240 nan 0.000 0.435 26 E N 0.912 121.152 120.200 0.067 0.000 2.077 26 E HA -0.032 4.310 4.350 -0.015 0.000 0.193 26 E C 2.062 178.741 176.600 0.131 0.000 0.989 26 E CA 0.913 57.367 56.400 0.090 0.000 0.800 26 E CB -0.503 29.255 29.700 0.098 0.000 0.746 26 E HN 0.449 nan 8.360 nan 0.000 0.452 27 L N 0.068 121.374 121.223 0.139 0.000 2.017 27 L HA -0.192 4.139 4.340 -0.015 0.000 0.208 27 L C 2.436 179.419 176.870 0.188 0.000 1.073 27 L CA 1.446 56.394 54.840 0.180 0.000 0.745 27 L CB -0.380 41.759 42.059 0.132 0.000 0.894 27 L HN 0.069 nan 8.230 nan 0.000 0.432 28 K N 0.552 121.020 120.400 0.113 0.000 2.044 28 K HA -0.230 4.081 4.320 -0.015 0.000 0.210 28 K C 2.153 178.854 176.600 0.167 0.000 1.049 28 K CA 1.997 58.340 56.287 0.093 0.000 0.927 28 K CB -0.135 32.382 32.500 0.028 0.000 0.713 28 K HN 0.388 nan 8.250 nan 0.000 0.443 29 K N 0.196 120.675 120.400 0.132 0.000 2.103 29 K HA -0.057 4.254 4.320 -0.015 0.000 0.204 29 K C 1.587 178.273 176.600 0.144 0.000 1.052 29 K CA 1.289 57.649 56.287 0.121 0.000 0.945 29 K CB -0.163 32.383 32.500 0.076 0.000 0.722 29 K HN 0.021 nan 8.250 nan 0.000 0.443 30 N N 0.610 119.407 118.700 0.161 0.000 2.244 30 N HA -0.123 4.608 4.740 -0.015 0.000 0.183 30 N C 1.624 177.284 175.510 0.250 0.000 1.016 30 N CA 0.954 54.096 53.050 0.153 0.000 0.866 30 N CB -0.315 38.276 38.487 0.172 0.000 0.980 30 N HN 0.189 nan 8.380 nan 0.000 0.430 31 F N 2.668 122.718 119.950 0.167 0.000 2.095 31 F HA -0.125 4.394 4.527 -0.014 0.000 0.298 31 F C 2.024 177.925 175.800 0.167 0.000 1.104 31 F CA 1.369 59.480 58.000 0.185 0.000 1.232 31 F CB -0.277 38.805 39.000 0.137 0.000 0.987 31 F HN -0.017 nan 8.300 nan 0.000 0.475 32 N N 0.355 119.289 118.700 0.391 0.000 2.188 32 N HA -0.177 4.554 4.740 -0.015 0.000 0.184 32 N C 2.068 177.657 175.510 0.132 0.000 1.018 32 N CA 1.133 54.334 53.050 0.251 0.000 0.858 32 N CB -0.542 38.064 38.487 0.198 0.000 0.989 32 N HN 0.368 nan 8.380 nan 0.000 0.426 33 R N 0.301 120.875 120.500 0.124 0.000 2.073 33 R HA -0.110 4.221 4.340 -0.015 0.000 0.234 33 R C 1.852 178.226 176.300 0.123 0.000 1.134 33 R CA 1.524 57.719 56.100 0.159 0.000 0.952 33 R CB -0.231 30.114 30.300 0.074 0.000 0.850 33 R HN 0.384 nan 8.270 nan 0.000 0.433 34 H N -0.361 118.748 119.070 0.066 0.000 2.353 34 H HA -0.137 4.410 4.556 -0.015 0.000 0.300 34 H C 1.912 177.160 175.328 -0.134 0.000 1.090 34 H CA 1.507 57.520 56.048 -0.058 0.000 1.327 34 H CB 0.024 29.705 29.762 -0.134 0.000 1.383 34 H HN 0.129 nan 8.280 nan 0.000 0.508 35 L N 0.016 121.209 121.223 -0.050 0.000 2.079 35 L HA -0.212 4.119 4.340 -0.015 0.000 0.210 35 L C 2.175 179.016 176.870 -0.048 0.000 1.081 35 L CA 1.920 56.707 54.840 -0.088 0.000 0.752 35 L CB -0.418 41.617 42.059 -0.039 0.000 0.896 35 L HN 0.328 nan 8.230 nan 0.000 0.433 36 H N -1.909 117.078 119.070 -0.138 0.000 2.287 36 H HA -0.032 4.515 4.556 -0.015 0.000 0.309 36 H C 1.808 176.949 175.328 -0.312 0.000 1.059 36 H CA 2.024 57.903 56.048 -0.283 0.000 1.357 36 H CB -0.305 29.193 29.762 -0.440 0.000 1.409 36 H HN 0.251 nan 8.280 nan 0.000 0.515 37 F N -0.104 119.823 119.950 -0.037 0.000 2.259 37 F HA -0.032 4.486 4.527 -0.015 0.000 0.298 37 F C 2.506 178.231 175.800 -0.126 0.000 1.088 37 F CA 1.430 59.368 58.000 -0.103 0.000 1.358 37 F CB -0.334 38.648 39.000 -0.030 0.000 1.040 37 F HN 0.215 nan 8.300 nan 0.000 0.505 38 T N -0.378 114.203 114.554 0.046 0.000 2.953 38 T HA 0.081 4.422 4.350 -0.015 0.000 0.247 38 T C 1.969 176.568 174.700 -0.168 0.000 1.029 38 T CA 0.745 62.801 62.100 -0.074 0.000 1.144 38 T CB -0.320 68.463 68.868 -0.142 0.000 0.870 38 T HN 0.095 nan 8.240 nan 0.000 0.446 39 L N 1.186 122.304 121.223 -0.176 0.000 2.446 39 L HA 0.184 4.515 4.340 -0.015 0.000 0.219 39 L C 0.318 177.088 176.870 -0.167 0.000 1.116 39 L CA -0.031 54.697 54.840 -0.187 0.000 0.844 39 L CB -0.003 41.950 42.059 -0.176 0.000 0.970 39 L HN -0.012 nan 8.230 nan 0.000 0.457 40 V N 0.489 120.290 119.914 -0.189 0.000 6.078 40 V HA -0.292 3.820 4.120 -0.015 0.000 0.301 40 V C -0.095 175.890 176.094 -0.181 0.000 0.571 40 V CA 1.043 63.209 62.300 -0.224 0.000 0.625 40 V CB -2.350 29.366 31.823 -0.179 0.000 0.271 40 V HN 0.443 nan 8.190 nan 0.000 0.788 41 K N 0.654 120.955 120.400 -0.165 0.000 2.482 41 K HA 0.715 5.026 4.320 -0.015 0.000 0.257 41 K C -0.473 176.095 176.600 -0.054 0.000 0.969 41 K CA -0.554 55.667 56.287 -0.108 0.000 0.842 41 K CB 2.816 35.248 32.500 -0.114 0.000 1.359 41 K HN 0.480 nan 8.250 nan 0.000 0.441 42 D N -0.822 119.568 120.400 -0.018 0.000 2.467 42 D HA 0.282 4.914 4.640 -0.015 0.000 0.245 42 D C 0.685 177.016 176.300 0.052 0.000 1.038 42 D CA -0.735 53.288 54.000 0.038 0.000 1.038 42 D CB 0.873 41.699 40.800 0.043 0.000 1.278 42 D HN 0.129 nan 8.370 nan 0.000 0.564 43 R N -0.025 120.539 120.500 0.106 0.000 2.241 43 R HA -0.023 4.308 4.340 -0.015 0.000 0.224 43 R C 0.723 177.098 176.300 0.125 0.000 1.101 43 R CA 0.556 56.759 56.100 0.172 0.000 0.995 43 R CB -0.685 29.722 30.300 0.177 0.000 0.870 43 R HN 0.523 nan 8.270 nan 0.000 0.463 44 N N 0.164 118.904 118.700 0.067 0.000 2.376 44 N HA -0.073 4.658 4.740 -0.015 0.000 0.177 44 N C 1.694 177.221 175.510 0.029 0.000 1.024 44 N CA 1.192 54.272 53.050 0.049 0.000 0.893 44 N CB 0.297 38.803 38.487 0.031 0.000 0.980 44 N HN 0.210 nan 8.380 nan 0.000 0.439 45 V N -2.405 117.512 119.914 0.005 0.000 3.621 45 V HA 0.486 4.597 4.120 -0.015 0.000 0.263 45 V C 0.966 177.024 176.094 -0.061 0.000 1.272 45 V CA -0.394 61.894 62.300 -0.020 0.000 1.080 45 V CB -0.487 31.320 31.823 -0.028 0.000 0.816 45 V HN 0.046 nan 8.190 nan 0.000 0.451 46 A N 2.418 125.171 122.820 -0.111 0.000 2.511 46 A HA 0.535 4.846 4.320 -0.015 0.000 0.242 46 A C 0.769 178.177 177.584 -0.293 0.000 1.069 46 A CA 0.775 52.633 52.037 -0.298 0.000 0.763 46 A CB -0.250 18.399 19.000 -0.584 0.000 1.001 46 A HN 0.792 nan 8.150 nan 0.000 0.498 47 T N 0.455 114.855 114.554 -0.257 0.000 2.936 47 T HA 0.540 4.881 4.350 -0.015 0.000 0.282 47 T C -2.058 172.588 174.700 -0.090 0.000 1.003 47 T CA -1.728 60.308 62.100 -0.107 0.000 1.005 47 T CB 1.038 69.889 68.868 -0.028 0.000 1.097 47 T HN 0.268 nan 8.240 nan 0.000 0.532 48 P HA -0.141 nan 4.420 nan 0.000 0.217 48 P C 1.628 179.043 177.300 0.193 0.000 1.151 48 P CA 1.096 64.338 63.100 0.237 0.000 0.849 48 P CB 0.040 31.839 31.700 0.165 0.000 0.787 49 R N -0.043 120.518 120.500 0.102 0.000 2.081 49 R HA -0.142 4.189 4.340 -0.015 0.000 0.235 49 R C 1.723 178.186 176.300 0.271 0.000 1.131 49 R CA 1.826 58.015 56.100 0.148 0.000 0.960 49 R CB -0.705 29.622 30.300 0.045 0.000 0.856 49 R HN 0.108 nan 8.270 nan 0.000 0.436 50 D N -0.346 120.112 120.400 0.097 0.000 2.123 50 D HA -0.199 4.432 4.640 -0.015 0.000 0.196 50 D C 1.732 178.058 176.300 0.043 0.000 0.992 50 D CA 1.361 55.372 54.000 0.019 0.000 0.833 50 D CB -0.283 40.390 40.800 -0.211 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N 0.140 120.541 120.300 0.170 0.000 2.200 51 Y HA -0.201 4.340 4.550 -0.014 0.000 0.290 51 Y C 2.340 178.373 175.900 0.222 0.000 1.137 51 Y CA 0.327 58.572 58.100 0.241 0.000 1.163 51 Y CB -1.186 37.467 38.460 0.321 0.000 0.988 51 Y HN 0.070 nan 8.280 nan 0.000 0.518 52 Y N -0.404 120.036 120.300 0.234 0.000 2.114 52 Y HA -0.323 4.218 4.550 -0.015 0.000 0.282 52 Y C 1.979 177.857 175.900 -0.036 0.000 1.165 52 Y CA 1.477 59.611 58.100 0.057 0.000 1.148 52 Y CB -1.087 37.304 38.460 -0.114 0.000 0.972 52 Y HN 0.036 nan 8.280 nan 0.000 0.504 53 F N 0.112 119.886 119.950 -0.294 0.000 2.186 53 F HA -0.078 4.441 4.527 -0.014 0.000 0.299 53 F C 2.620 178.240 175.800 -0.299 0.000 1.090 53 F CA 1.289 59.048 58.000 -0.401 0.000 1.307 53 F CB -1.061 37.850 39.000 -0.148 0.000 1.019 53 F HN 0.199 nan 8.300 nan 0.000 0.489 54 A N -0.349 122.385 122.820 -0.144 0.000 1.902 54 A HA -0.153 4.158 4.320 -0.015 0.000 0.217 54 A C 2.101 179.510 177.584 -0.291 0.000 1.181 54 A CA 1.474 53.282 52.037 -0.382 0.000 0.623 54 A CB -1.002 17.446 19.000 -0.921 0.000 0.818 54 A HN 0.327 nan 8.150 nan 0.000 0.443 55 L N -0.212 120.960 121.223 -0.085 0.000 2.027 55 L HA -0.001 4.331 4.340 -0.015 0.000 0.206 55 L C 2.681 179.542 176.870 -0.015 0.000 1.074 55 L CA 2.118 57.061 54.840 0.172 0.000 0.745 55 L CB -0.996 41.257 42.059 0.324 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.162 121.481 122.820 -0.296 0.000 1.892 56 A HA -0.308 4.003 4.320 -0.015 0.000 0.218 56 A C 2.168 179.450 177.584 -0.504 0.000 1.188 56 A CA 2.159 53.904 52.037 -0.487 0.000 0.631 56 A CB -1.120 17.264 19.000 -1.026 0.000 0.822 56 A HN 0.673 nan 8.150 nan 0.000 0.447 57 H N -0.879 117.894 119.070 -0.496 0.000 2.389 57 H HA -0.048 4.499 4.556 -0.015 0.000 0.299 57 H C 2.360 177.436 175.328 -0.420 0.000 1.081 57 H CA 1.995 57.680 56.048 -0.605 0.000 1.345 57 H CB -0.237 28.914 29.762 -1.019 0.000 1.393 57 H HN 0.467 nan 8.280 nan 0.000 0.520 58 T N -0.385 114.138 114.554 -0.050 0.000 2.746 58 T HA -0.128 4.213 4.350 -0.015 0.000 0.267 58 T C 2.252 177.118 174.700 0.278 0.000 1.039 58 T CA 1.321 63.560 62.100 0.232 0.000 1.142 58 T CB -0.373 68.693 68.868 0.330 0.000 0.866 58 T HN 0.089 nan 8.240 nan 0.000 0.444 59 V N 2.497 122.542 119.914 0.219 0.000 2.307 59 V HA -0.170 3.941 4.120 -0.015 0.000 0.245 59 V C 2.673 178.941 176.094 0.289 0.000 1.045 59 V CA 1.952 64.422 62.300 0.283 0.000 1.024 59 V CB -0.688 31.297 31.823 0.270 0.000 0.651 59 V HN 0.520 nan 8.190 nan 0.000 0.449 60 R N 0.461 121.069 120.500 0.179 0.000 2.127 60 R HA -0.207 4.124 4.340 -0.015 0.000 0.238 60 R C 1.681 178.059 176.300 0.130 0.000 1.134 60 R CA 2.097 58.290 56.100 0.156 0.000 0.975 60 R CB -0.738 29.518 30.300 -0.072 0.000 0.865 60 R HN 0.374 nan 8.270 nan 0.000 0.447 61 D N 0.705 121.169 120.400 0.108 0.000 2.182 61 D HA -0.159 4.472 4.640 -0.015 0.000 0.201 61 D C 1.633 177.925 176.300 -0.013 0.000 0.986 61 D CA 1.147 55.180 54.000 0.054 0.000 0.847 61 D CB -0.347 40.477 40.800 0.039 0.000 0.942 61 D HN 0.497 nan 8.370 nan 0.000 0.467 62 H N -0.401 118.725 119.070 0.093 0.000 2.546 62 H HA 0.070 4.617 4.556 -0.014 0.000 0.277 62 H C 2.059 177.422 175.328 0.059 0.000 1.004 62 H CA 0.318 56.407 56.048 0.068 0.000 1.231 62 H CB 0.387 30.182 29.762 0.055 0.000 1.382 62 H HN 0.206 nan 8.280 nan 0.000 0.580 63 L N -0.225 121.097 121.223 0.166 0.000 2.341 63 L HA -0.066 4.265 4.340 -0.015 0.000 0.214 63 L C 2.443 179.422 176.870 0.180 0.000 1.115 63 L CA 0.062 54.971 54.840 0.114 0.000 0.820 63 L CB 0.009 42.092 42.059 0.040 0.000 0.944 63 L HN 0.016 nan 8.230 nan 0.000 0.452 64 V N 0.412 120.438 119.914 0.186 0.000 2.233 64 V HA -0.256 3.855 4.120 -0.015 0.000 0.247 64 V C 2.631 178.821 176.094 0.160 0.000 1.050 64 V CA 2.268 64.697 62.300 0.216 0.000 1.010 64 V CB -1.296 30.607 31.823 0.132 0.000 0.637 64 V HN 0.556 nan 8.190 nan 0.000 0.444 65 G N -0.296 108.559 108.800 0.090 0.000 2.459 65 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.217 65 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.217 65 G C 1.715 176.652 174.900 0.062 0.000 1.183 65 G CA 0.975 46.107 45.100 0.053 0.000 0.776 65 G HN 0.465 nan 8.290 nan 0.000 0.552 66 R N -1.374 119.172 120.500 0.076 0.000 2.091 66 R HA -0.109 4.222 4.340 -0.015 0.000 0.238 66 R C 2.278 178.651 176.300 0.123 0.000 1.136 66 R CA 1.338 57.474 56.100 0.060 0.000 0.959 66 R CB -0.415 29.907 30.300 0.037 0.000 0.856 66 R HN 0.491 nan 8.270 nan 0.000 0.437 67 W N 1.621 122.893 121.300 -0.047 0.000 2.355 67 W HA -0.077 4.574 4.660 -0.014 0.000 0.309 67 W C 1.746 178.228 176.519 -0.061 0.000 1.206 67 W CA 0.929 58.243 57.345 -0.053 0.000 1.284 67 W CB -0.598 28.846 29.460 -0.026 0.000 1.145 67 W HN -0.031 nan 8.180 nan 0.000 0.502 68 I N 1.111 121.716 120.570 0.060 0.000 2.226 68 I HA -0.346 3.815 4.170 -0.015 0.000 0.245 68 I C 2.717 178.805 176.117 -0.050 0.000 1.100 68 I CA 2.024 63.278 61.300 -0.077 0.000 1.374 68 I CB -0.657 37.303 38.000 -0.066 0.000 1.057 68 I HN -0.007 nan 8.210 nan 0.000 0.413 69 R N 0.438 120.927 120.500 -0.019 0.000 2.119 69 R HA -0.048 4.283 4.340 -0.015 0.000 0.222 69 R C 1.922 178.180 176.300 -0.071 0.000 1.088 69 R CA 1.517 57.597 56.100 -0.033 0.000 0.984 69 R CB -1.217 29.065 30.300 -0.029 0.000 0.884 69 R HN 0.182 nan 8.270 nan 0.000 0.447 70 T N 1.787 116.278 114.554 -0.105 0.000 2.674 70 T HA -0.114 4.228 4.350 -0.015 0.000 0.265 70 T C 1.839 176.278 174.700 -0.434 0.000 1.039 70 T CA 1.443 63.377 62.100 -0.277 0.000 1.150 70 T CB -0.130 68.611 68.868 -0.212 0.000 0.864 70 T HN 0.240 nan 8.240 nan 0.000 0.427 71 Q N 1.029 120.710 119.800 -0.198 0.000 2.119 71 Q HA -0.040 4.291 4.340 -0.015 0.000 0.201 71 Q C 2.377 178.378 176.000 0.002 0.000 0.972 71 Q CA 1.231 56.986 55.803 -0.080 0.000 0.847 71 Q CB -0.440 28.279 28.738 -0.032 0.000 0.903 71 Q HN 0.626 nan 8.270 nan 0.000 0.433 72 Q N -0.436 119.354 119.800 -0.016 0.000 2.061 72 Q HA -0.228 4.103 4.340 -0.015 0.000 0.204 72 Q C 2.045 178.121 176.000 0.128 0.000 0.984 72 Q CA 1.692 57.527 55.803 0.053 0.000 0.846 72 Q CB -0.210 28.543 28.738 0.025 0.000 0.902 72 Q HN 0.490 nan 8.270 nan 0.000 0.421 73 H N -0.615 118.422 119.070 -0.055 0.000 2.319 73 H HA -0.215 4.332 4.556 -0.015 0.000 0.297 73 H C 1.490 176.877 175.328 0.098 0.000 1.097 73 H CA 2.187 58.215 56.048 -0.034 0.000 1.285 73 H CB -0.192 29.484 29.762 -0.143 0.000 1.368 73 H HN 0.300 nan 8.280 nan 0.000 0.495 74 Y N -1.088 119.258 120.300 0.077 0.000 2.274 74 Y HA -0.202 4.339 4.550 -0.015 0.000 0.290 74 Y C 2.470 178.400 175.900 0.049 0.000 1.145 74 Y CA 1.060 59.175 58.100 0.025 0.000 1.203 74 Y CB -1.372 37.156 38.460 0.113 0.000 0.984 74 Y HN 0.372 nan 8.280 nan 0.000 0.533 75 Y N 1.394 121.773 120.300 0.131 0.000 2.200 75 Y HA -0.184 4.357 4.550 -0.015 0.000 0.290 75 Y C 2.096 178.005 175.900 0.016 0.000 1.137 75 Y CA 1.792 59.932 58.100 0.068 0.000 1.163 75 Y CB -0.011 38.481 38.460 0.052 0.000 0.988 75 Y HN 0.095 nan 8.280 nan 0.000 0.518 76 E N 0.260 120.478 120.200 0.030 0.000 2.046 76 E HA -0.144 4.198 4.350 -0.015 0.000 0.190 76 E C 1.943 178.466 176.600 -0.129 0.000 0.982 76 E CA 1.133 57.492 56.400 -0.068 0.000 0.800 76 E CB -0.336 29.371 29.700 0.011 0.000 0.756 76 E HN 0.488 nan 8.360 nan 0.000 0.449 77 K N 0.724 121.031 120.400 -0.154 0.000 2.296 77 K HA -0.079 4.232 4.320 -0.015 0.000 0.200 77 K C 0.015 176.551 176.600 -0.106 0.000 1.048 77 K CA 0.531 56.724 56.287 -0.156 0.000 0.966 77 K CB -0.049 32.290 32.500 -0.268 0.000 0.754 77 K HN -0.004 nan 8.250 nan 0.000 0.466 78 D N 0.987 121.331 120.400 -0.093 0.000 2.697 78 D HA -0.103 4.528 4.640 -0.015 0.000 0.235 78 D C -2.427 173.839 176.300 -0.057 0.000 1.167 78 D CA 0.074 54.027 54.000 -0.078 0.000 0.656 78 D CB -0.130 40.595 40.800 -0.124 0.000 1.025 78 D HN 0.171 nan 8.370 nan 0.000 0.419 79 P HA 0.074 nan 4.420 nan 0.000 0.274 79 P C -0.103 177.150 177.300 -0.078 0.000 1.256 79 P CA -0.492 62.568 63.100 -0.067 0.000 0.795 79 P CB 0.610 32.256 31.700 -0.089 0.000 1.038 80 K N 1.396 121.755 120.400 -0.067 0.000 2.484 80 K HA 0.005 4.316 4.320 -0.015 0.000 0.280 80 K C -0.061 176.451 176.600 -0.146 0.000 1.013 80 K CA 0.145 56.386 56.287 -0.077 0.000 1.029 80 K CB 0.160 32.634 32.500 -0.044 0.000 0.902 80 K HN 0.269 nan 8.250 nan 0.000 0.481 81 R N 3.681 124.081 120.500 -0.167 0.000 2.368 81 R HA 0.340 4.671 4.340 -0.015 0.000 0.302 81 R C -0.544 175.487 176.300 -0.448 0.000 1.002 81 R CA -0.519 55.400 56.100 -0.303 0.000 0.929 81 R CB 0.864 30.989 30.300 -0.293 0.000 1.073 81 R HN 0.490 nan 8.270 nan 0.000 0.464 82 I N 4.373 124.621 120.570 -0.537 0.000 2.321 82 I HA 0.205 4.366 4.170 -0.015 0.000 0.291 82 I C -0.637 175.164 176.117 -0.527 0.000 0.998 82 I CA -0.788 60.151 61.300 -0.602 0.000 1.227 82 I CB 0.794 38.325 38.000 -0.781 0.000 1.368 82 I HN 0.536 nan 8.210 nan 0.000 0.466 83 Y N 5.956 126.218 120.300 -0.063 0.000 2.356 83 Y HA 0.280 4.822 4.550 -0.014 0.000 0.334 83 Y C -0.263 175.733 175.900 0.160 0.000 0.958 83 Y CA -0.710 57.471 58.100 0.134 0.000 1.196 83 Y CB 1.058 39.552 38.460 0.056 0.000 1.137 83 Y HN 0.399 nan 8.280 nan 0.000 0.485 84 Y N 4.602 125.075 120.300 0.289 0.000 2.518 84 Y HA 0.463 5.005 4.550 -0.014 0.000 0.344 84 Y C -1.204 174.956 175.900 0.434 0.000 0.982 84 Y CA -0.902 57.379 58.100 0.301 0.000 1.234 84 Y CB 0.234 38.869 38.460 0.293 0.000 1.114 84 Y HN 0.513 nan 8.280 nan 0.000 0.515 85 L N 4.971 126.244 121.223 0.084 0.000 2.265 85 L HA 0.466 4.798 4.340 -0.015 0.000 0.288 85 L C -0.176 176.722 176.870 0.047 0.000 1.058 85 L CA 0.165 55.118 54.840 0.189 0.000 0.809 85 L CB 1.305 43.442 42.059 0.129 0.000 1.179 85 L HN 0.558 nan 8.230 nan 0.000 0.429 86 S N 2.386 118.194 115.700 0.180 0.000 2.541 86 S HA 0.512 4.974 4.470 -0.015 0.000 0.271 86 S C 0.307 175.002 174.600 0.158 0.000 1.133 86 S CA -0.518 57.684 58.200 0.005 0.000 0.876 86 S CB 1.070 64.037 63.200 -0.389 0.000 1.105 86 S HN 0.470 nan 8.310 nan 0.000 0.470 87 L N 2.689 124.042 121.223 0.216 0.000 2.558 87 L HA 0.421 4.752 4.340 -0.015 0.000 0.225 87 L C 0.346 177.414 176.870 0.330 0.000 1.128 87 L CA 1.005 56.038 54.840 0.321 0.000 0.868 87 L CB -0.085 42.177 42.059 0.338 0.000 1.006 87 L HN 0.640 nan 8.230 nan 0.000 0.454 88 E N -1.240 119.023 120.200 0.106 0.000 2.256 88 E HA 0.416 4.758 4.350 -0.015 0.000 0.268 88 E C -1.396 175.075 176.600 -0.215 0.000 0.877 88 E CA -0.456 55.988 56.400 0.073 0.000 0.757 88 E CB 1.832 31.560 29.700 0.045 0.000 1.183 88 E HN -0.174 nan 8.360 nan 0.000 0.418 89 F N 2.210 122.268 119.950 0.180 0.000 2.716 89 F HA 0.173 4.691 4.527 -0.015 0.000 0.354 89 F C -0.866 175.018 175.800 0.139 0.000 1.168 89 F CA -0.766 57.324 58.000 0.150 0.000 1.045 89 F CB 0.929 40.006 39.000 0.128 0.000 1.311 89 F HN 0.482 nan 8.300 nan 0.000 0.477 90 Y N 5.238 125.607 120.300 0.114 0.000 2.714 90 Y HA 0.233 4.774 4.550 -0.014 0.000 0.333 90 Y C 0.896 176.807 175.900 0.019 0.000 1.220 90 Y CA -1.040 57.077 58.100 0.028 0.000 1.513 90 Y CB 0.379 38.837 38.460 -0.004 0.000 1.435 90 Y HN 0.548 nan 8.280 nan 0.000 0.489 91 M N 1.733 121.463 119.600 0.217 0.000 2.288 91 M HA 0.117 4.589 4.480 -0.015 0.000 0.266 91 M C 1.545 177.812 176.300 -0.056 0.000 1.072 91 M CA 1.142 56.472 55.300 0.049 0.000 1.132 91 M CB -1.214 31.388 32.600 0.003 0.000 1.386 91 M HN 0.716 nan 8.290 nan 0.000 0.432 92 G N 1.048 109.828 108.800 -0.033 0.000 2.553 92 G HA2 -0.265 3.686 3.960 -0.015 0.000 0.242 92 G HA3 -0.265 3.686 3.960 -0.015 0.000 0.242 92 G C -0.280 174.561 174.900 -0.098 0.000 1.277 92 G CA -0.333 44.704 45.100 -0.105 0.000 0.910 92 G HN 0.429 nan 8.290 nan 0.000 0.576 93 R N -0.762 119.658 120.500 -0.133 0.000 2.560 93 R HA 0.596 4.928 4.340 -0.015 0.000 0.270 93 R C 1.066 177.215 176.300 -0.251 0.000 1.074 93 R CA 0.309 56.331 56.100 -0.129 0.000 1.140 93 R CB 0.768 31.006 30.300 -0.104 0.000 1.073 93 R HN 0.522 nan 8.270 nan 0.000 0.527 94 T N 0.987 115.312 114.554 -0.381 0.000 2.978 94 T HA -0.002 4.339 4.350 -0.015 0.000 0.248 94 T C 1.409 175.648 174.700 -0.768 0.000 1.018 94 T CA -0.163 61.491 62.100 -0.744 0.000 1.026 94 T CB 0.134 68.168 68.868 -1.390 0.000 1.032 94 T HN 0.318 nan 8.240 nan 0.000 0.485 95 L N 1.992 122.971 121.223 -0.406 0.000 1.955 95 L HA -0.070 4.261 4.340 -0.015 0.000 0.213 95 L C 2.457 179.265 176.870 -0.105 0.000 1.072 95 L CA 2.056 56.847 54.840 -0.081 0.000 0.755 95 L CB -0.668 41.589 42.059 0.330 0.000 0.888 95 L HN 0.186 nan 8.230 nan 0.000 0.432 96 Q N -0.794 118.951 119.800 -0.092 0.000 2.084 96 Q HA -0.250 4.081 4.340 -0.015 0.000 0.202 96 Q C 2.250 178.166 176.000 -0.139 0.000 0.978 96 Q CA 1.828 57.576 55.803 -0.091 0.000 0.844 96 Q CB -0.318 28.366 28.738 -0.090 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.426 97 N N -0.941 117.635 118.700 -0.207 0.000 2.104 97 N HA -0.159 4.572 4.740 -0.015 0.000 0.190 97 N C 1.384 176.781 175.510 -0.189 0.000 1.024 97 N CA 1.877 54.798 53.050 -0.214 0.000 0.853 97 N CB 0.039 38.365 38.487 -0.268 0.000 1.008 97 N HN 0.238 nan 8.380 nan 0.000 0.424 98 T N 1.315 115.723 114.554 -0.242 0.000 2.746 98 T HA -0.077 4.264 4.350 -0.015 0.000 0.267 98 T C 2.083 176.720 174.700 -0.105 0.000 1.039 98 T CA 1.133 63.117 62.100 -0.193 0.000 1.142 98 T CB -0.094 68.634 68.868 -0.234 0.000 0.866 98 T HN 0.270 nan 8.240 nan 0.000 0.444 99 M N 0.594 120.145 119.600 -0.081 0.000 2.086 99 M HA -0.095 4.376 4.480 -0.015 0.000 0.261 99 M C 2.503 178.767 176.300 -0.059 0.000 1.067 99 M CA 1.283 56.549 55.300 -0.057 0.000 1.116 99 M CB -0.693 31.889 32.600 -0.031 0.000 1.348 99 M HN 0.096 nan 8.290 nan 0.000 0.407 100 V N 1.021 120.904 119.914 -0.051 0.000 2.255 100 V HA -0.288 3.823 4.120 -0.015 0.000 0.247 100 V C 1.797 177.903 176.094 0.020 0.000 1.051 100 V CA 2.034 64.332 62.300 -0.003 0.000 1.018 100 V CB -0.897 30.924 31.823 -0.003 0.000 0.641 100 V HN 0.478 nan 8.190 nan 0.000 0.445 101 N N -0.405 118.291 118.700 -0.006 0.000 2.459 101 N HA -0.043 4.688 4.740 -0.015 0.000 0.181 101 N C 1.054 176.471 175.510 -0.155 0.000 1.046 101 N CA 0.703 53.734 53.050 -0.031 0.000 0.904 101 N CB -0.100 38.374 38.487 -0.021 0.000 0.964 101 N HN 0.284 nan 8.380 nan 0.000 0.444 102 L N -0.226 120.921 121.223 -0.126 0.000 2.640 102 L HA 0.409 4.740 4.340 -0.015 0.000 0.230 102 L C 0.511 177.295 176.870 -0.143 0.000 1.123 102 L CA -0.300 54.462 54.840 -0.130 0.000 0.900 102 L CB -0.813 41.190 42.059 -0.093 0.000 1.146 102 L HN 0.091 nan 8.230 nan 0.000 0.484 103 A N -0.340 122.393 122.820 -0.145 0.000 2.791 103 A HA -0.228 4.083 4.320 -0.015 0.000 0.292 103 A C 1.177 178.703 177.584 -0.098 0.000 1.487 103 A CA 1.173 53.139 52.037 -0.119 0.000 0.760 103 A CB -2.000 16.916 19.000 -0.139 0.000 1.031 103 A HN 0.336 nan 8.150 nan 0.000 0.503 104 L N -1.588 119.577 121.223 -0.095 0.000 2.693 104 L HA 0.139 4.470 4.340 -0.015 0.000 0.235 104 L C 1.992 178.825 176.870 -0.061 0.000 1.127 104 L CA 0.723 55.502 54.840 -0.102 0.000 0.914 104 L CB 0.053 42.022 42.059 -0.149 0.000 1.193 104 L HN 0.677 nan 8.230 nan 0.000 0.502 105 E N 0.793 120.966 120.200 -0.045 0.000 2.058 105 E HA -0.240 4.101 4.350 -0.015 0.000 0.194 105 E C 1.653 178.240 176.600 -0.022 0.000 0.997 105 E CA 1.407 57.791 56.400 -0.027 0.000 0.801 105 E CB 0.262 29.947 29.700 -0.024 0.000 0.746 105 E HN 0.401 nan 8.360 nan 0.000 0.450 106 N N -0.019 118.665 118.700 -0.027 0.000 2.171 106 N HA -0.092 4.639 4.740 -0.015 0.000 0.184 106 N C 1.557 177.053 175.510 -0.023 0.000 1.021 106 N CA 1.166 54.200 53.050 -0.027 0.000 0.854 106 N CB -0.333 38.138 38.487 -0.028 0.000 0.994 106 N HN 0.205 nan 8.380 nan 0.000 0.426 107 A N 0.390 123.194 122.820 -0.026 0.000 1.902 107 A HA -0.152 4.159 4.320 -0.015 0.000 0.217 107 A C 2.653 180.232 177.584 -0.008 0.000 1.181 107 A CA 1.368 53.394 52.037 -0.019 0.000 0.623 107 A CB -1.006 17.975 19.000 -0.031 0.000 0.818 107 A HN 0.438 nan 8.150 nan 0.000 0.443 108 C N -0.915 118.380 119.300 -0.008 0.000 2.446 108 C HA -0.063 4.388 4.460 -0.015 0.000 0.277 108 C C 2.480 177.475 174.990 0.008 0.000 1.275 108 C CA 1.046 60.072 59.018 0.012 0.000 1.727 108 C CB -1.098 26.660 27.740 0.031 0.000 2.010 108 C HN 0.694 nan 8.230 nan 0.000 0.486 109 D N 0.753 121.156 120.400 0.004 0.000 2.104 109 D HA -0.160 4.471 4.640 -0.015 0.000 0.194 109 D C 2.113 178.426 176.300 0.021 0.000 0.994 109 D CA 1.619 55.622 54.000 0.005 0.000 0.830 109 D CB -0.258 40.533 40.800 -0.015 0.000 0.959 109 D HN 0.476 nan 8.370 nan 0.000 0.452 110 E N 0.084 120.292 120.200 0.013 0.000 2.072 110 E HA -0.016 4.325 4.350 -0.015 0.000 0.191 110 E C 1.877 178.514 176.600 0.061 0.000 0.985 110 E CA 1.486 57.914 56.400 0.048 0.000 0.801 110 E CB -0.538 29.173 29.700 0.019 0.000 0.750 110 E HN 0.220 nan 8.360 nan 0.000 0.452 111 A N -0.107 122.718 122.820 0.008 0.000 1.902 111 A HA -0.202 4.110 4.320 -0.015 0.000 0.217 111 A C 2.460 179.969 177.584 -0.124 0.000 1.181 111 A CA 2.685 54.699 52.037 -0.038 0.000 0.623 111 A CB -1.346 17.638 19.000 -0.027 0.000 0.818 111 A HN 0.507 nan 8.150 nan 0.000 0.443 112 T N -3.735 110.743 114.554 -0.125 0.000 2.857 112 T HA -0.188 4.153 4.350 -0.015 0.000 0.266 112 T C 1.858 176.480 174.700 -0.131 0.000 1.048 112 T CA 1.416 63.385 62.100 -0.220 0.000 1.139 112 T CB -0.625 68.154 68.868 -0.149 0.000 0.874 112 T HN 0.440 nan 8.240 nan 0.000 0.455 113 Y N 2.401 122.622 120.300 -0.132 0.000 2.114 113 Y HA -0.186 4.356 4.550 -0.014 0.000 0.282 113 Y C 2.627 178.465 175.900 -0.103 0.000 1.165 113 Y CA 1.787 59.828 58.100 -0.098 0.000 1.148 113 Y CB -0.605 37.816 38.460 -0.064 0.000 0.972 113 Y HN 0.261 nan 8.280 nan 0.000 0.504 114 Q N -0.993 118.718 119.800 -0.149 0.000 2.224 114 Q HA -0.126 4.205 4.340 -0.015 0.000 0.203 114 Q C 1.549 177.415 176.000 -0.224 0.000 0.970 114 Q CA 0.901 56.579 55.803 -0.209 0.000 0.865 114 Q CB -0.093 28.604 28.738 -0.069 0.000 0.922 114 Q HN 0.349 nan 8.270 nan 0.000 0.445 115 L N -0.724 120.353 121.223 -0.243 0.000 2.599 115 L HA 0.131 4.462 4.340 -0.015 0.000 0.230 115 L C 1.062 177.767 176.870 -0.276 0.000 1.141 115 L CA 1.192 55.872 54.840 -0.266 0.000 0.877 115 L CB -0.518 41.299 42.059 -0.403 0.000 1.009 115 L HN 0.322 nan 8.230 nan 0.000 0.447 116 G N -0.018 108.607 108.800 -0.291 0.000 2.182 116 G HA2 -0.253 3.698 3.960 -0.015 0.000 0.248 116 G HA3 -0.253 3.698 3.960 -0.015 0.000 0.248 116 G C 0.000 174.766 174.900 -0.224 0.000 1.042 116 G CA 0.259 45.202 45.100 -0.262 0.000 0.775 116 G HN 0.292 nan 8.290 nan 0.000 0.501 117 L N -0.281 120.811 121.223 -0.218 0.000 2.362 117 L HA 0.580 4.911 4.340 -0.015 0.000 0.271 117 L C -0.565 176.276 176.870 -0.049 0.000 1.002 117 L CA -1.182 53.555 54.840 -0.172 0.000 0.818 117 L CB 1.976 43.868 42.059 -0.279 0.000 1.298 117 L HN 0.079 nan 8.230 nan 0.000 0.420 118 D N 2.278 122.677 120.400 -0.002 0.000 2.347 118 D HA 0.178 4.809 4.640 -0.015 0.000 0.235 118 D C 0.663 176.992 176.300 0.049 0.000 1.149 118 D CA -0.130 53.895 54.000 0.042 0.000 0.850 118 D CB 1.444 42.274 40.800 0.051 0.000 1.061 118 D HN 0.500 nan 8.370 nan 0.000 0.487 119 M N 3.052 122.681 119.600 0.049 0.000 2.159 119 M HA -0.149 4.322 4.480 -0.015 0.000 0.263 119 M C 1.412 177.755 176.300 0.071 0.000 1.063 119 M CA 1.498 56.838 55.300 0.065 0.000 1.110 119 M CB 0.188 32.820 32.600 0.053 0.000 1.374 119 M HN 0.441 nan 8.290 nan 0.000 0.411 120 E N -0.112 120.120 120.200 0.053 0.000 2.085 120 E HA -0.285 4.056 4.350 -0.015 0.000 0.194 120 E C 1.867 178.499 176.600 0.054 0.000 0.994 120 E CA 1.664 58.091 56.400 0.046 0.000 0.801 120 E CB -0.228 29.496 29.700 0.039 0.000 0.743 120 E HN 0.625 nan 8.360 nan 0.000 0.453 121 E N 0.433 120.671 120.200 0.063 0.000 2.106 121 E HA -0.203 4.139 4.350 -0.015 0.000 0.192 121 E C 1.951 178.596 176.600 0.075 0.000 0.984 121 E CA 0.631 57.071 56.400 0.067 0.000 0.806 121 E CB 0.155 29.897 29.700 0.070 0.000 0.750 121 E HN 0.088 nan 8.360 nan 0.000 0.458 122 L N 1.453 122.741 121.223 0.108 0.000 2.093 122 L HA -0.119 4.212 4.340 -0.015 0.000 0.208 122 L C 2.144 179.083 176.870 0.115 0.000 1.085 122 L CA 1.603 56.542 54.840 0.165 0.000 0.755 122 L CB -0.767 41.440 42.059 0.248 0.000 0.904 122 L HN 0.134 nan 8.230 nan 0.000 0.435 123 E N -0.573 119.683 120.200 0.092 0.000 2.118 123 E HA -0.213 4.128 4.350 -0.015 0.000 0.195 123 E C 1.890 178.456 176.600 -0.058 0.000 0.992 123 E CA 0.995 57.419 56.400 0.040 0.000 0.804 123 E CB 0.008 29.730 29.700 0.036 0.000 0.741 123 E HN 0.397 nan 8.360 nan 0.000 0.458 124 E N 0.204 120.384 120.200 -0.034 0.000 2.333 124 E HA -0.138 4.203 4.350 -0.015 0.000 0.198 124 E C 1.876 178.414 176.600 -0.102 0.000 1.007 124 E CA 0.602 56.980 56.400 -0.037 0.000 0.845 124 E CB -0.017 29.698 29.700 0.026 0.000 0.766 124 E HN 0.410 nan 8.360 nan 0.000 0.507 125 I N 0.838 121.284 120.570 -0.206 0.000 2.617 125 I HA -0.117 4.045 4.170 -0.015 0.000 0.256 125 I C 1.369 177.181 176.117 -0.509 0.000 1.167 125 I CA 0.278 61.384 61.300 -0.322 0.000 1.469 125 I CB 0.140 37.950 38.000 -0.317 0.000 1.098 125 I HN -0.030 nan 8.210 nan 0.000 0.436 126 E N 2.634 122.426 120.200 -0.680 0.000 2.366 126 E HA -0.031 4.310 4.350 -0.015 0.000 0.266 126 E C -0.243 176.268 176.600 -0.148 0.000 1.015 126 E CA -0.298 55.776 56.400 -0.545 0.000 0.906 126 E CB 0.591 30.074 29.700 -0.362 0.000 0.979 126 E HN 0.083 nan 8.360 nan 0.000 0.443 127 E N 3.463 123.663 120.200 0.001 0.000 2.373 127 E HA 0.036 4.378 4.350 -0.015 0.000 0.267 127 E C -0.712 175.978 176.600 0.150 0.000 1.032 127 E CA -0.132 56.347 56.400 0.131 0.000 0.889 127 E CB 0.573 30.437 29.700 0.273 0.000 0.984 127 E HN 0.483 nan 8.360 nan 0.000 0.425 128 D N 0.770 121.232 120.400 0.103 0.000 2.443 128 D HA 0.122 4.753 4.640 -0.015 0.000 0.239 128 D C -0.275 176.050 176.300 0.043 0.000 1.136 128 D CA 0.209 54.247 54.000 0.063 0.000 0.879 128 D CB 0.516 41.348 40.800 0.054 0.000 1.195 128 D HN 0.376 nan 8.370 nan 0.000 0.443 129 A N 2.263 125.054 122.820 -0.047 0.000 2.544 129 A HA 0.465 4.776 4.320 -0.015 0.000 0.301 129 A C 1.042 178.461 177.584 -0.274 0.000 1.368 129 A CA -0.302 51.487 52.037 -0.412 0.000 1.045 129 A CB -0.243 18.568 19.000 -0.314 0.000 1.129 129 A HN 0.525 nan 8.150 nan 0.000 0.540 130 G N 2.314 110.884 108.800 -0.383 0.000 3.943 130 G HA2 0.419 4.370 3.960 -0.015 0.000 0.275 130 G HA3 0.419 4.370 3.960 -0.015 0.000 0.275 130 G C 0.305 174.908 174.900 -0.495 0.000 1.234 130 G CA -0.308 44.615 45.100 -0.295 0.000 1.522 130 G HN 0.700 nan 8.290 nan 0.000 0.636 131 L N 1.291 122.310 121.223 -0.341 0.000 2.862 131 L HA 0.378 4.709 4.340 -0.015 0.000 0.240 131 L C 1.019 177.820 176.870 -0.115 0.000 1.283 131 L CA -0.152 54.606 54.840 -0.137 0.000 1.117 131 L CB -0.372 41.730 42.059 0.071 0.000 1.444 131 L HN 0.344 nan 8.230 nan 0.000 0.456 132 G N -1.247 107.269 108.800 -0.475 0.000 2.623 132 G HA2 0.177 4.128 3.960 -0.015 0.000 0.290 132 G HA3 0.177 4.128 3.960 -0.015 0.000 0.290 132 G C -0.159 174.377 174.900 -0.607 0.000 1.437 132 G CA -0.455 44.414 45.100 -0.385 0.000 0.798 132 G HN -0.104 nan 8.290 nan 0.000 0.488 133 N N -0.819 117.737 118.700 -0.239 0.000 2.439 133 N HA 0.227 4.958 4.740 -0.015 0.000 0.176 133 N C 1.113 176.650 175.510 0.045 0.000 1.029 133 N CA 1.323 54.293 53.050 -0.134 0.000 0.886 133 N CB 1.224 39.709 38.487 -0.004 0.000 1.057 133 N HN 0.874 nan 8.380 nan 0.000 0.437 134 G N -0.802 108.103 108.800 0.175 0.000 2.637 134 G HA2 0.211 4.162 3.960 -0.015 0.000 0.112 134 G HA3 0.211 4.162 3.960 -0.015 0.000 0.112 134 G C 0.639 175.643 174.900 0.173 0.000 1.181 134 G CA 0.182 45.419 45.100 0.229 0.000 1.150 134 G HN 0.129 nan 8.290 nan 0.000 0.561 135 G N 0.246 109.102 108.800 0.093 0.000 2.418 135 G HA2 -0.028 3.923 3.960 -0.015 0.000 0.217 135 G HA3 -0.028 3.923 3.960 -0.015 0.000 0.217 135 G C 1.867 176.761 174.900 -0.011 0.000 1.158 135 G CA 1.476 46.595 45.100 0.032 0.000 0.771 135 G HN 0.807 nan 8.290 nan 0.000 0.545 136 L N 0.588 121.790 121.223 -0.035 0.000 2.056 136 L HA 0.111 4.442 4.340 -0.015 0.000 0.207 136 L C 2.798 179.600 176.870 -0.113 0.000 1.078 136 L CA 1.889 56.627 54.840 -0.169 0.000 0.749 136 L CB -0.551 41.354 42.059 -0.256 0.000 0.901 136 L HN 0.225 nan 8.230 nan 0.000 0.433 137 G N -0.507 108.289 108.800 -0.007 0.000 2.408 137 G HA2 -0.290 3.662 3.960 -0.015 0.000 0.217 137 G HA3 -0.290 3.662 3.960 -0.015 0.000 0.217 137 G C 1.670 176.630 174.900 0.100 0.000 1.150 137 G CA 0.571 45.697 45.100 0.043 0.000 0.776 137 G HN 0.252 nan 8.290 nan 0.000 0.542 138 R N 0.295 120.864 120.500 0.115 0.000 2.115 138 R HA 0.114 4.446 4.340 -0.015 0.000 0.226 138 R C 2.335 178.623 176.300 -0.020 0.000 1.100 138 R CA 0.746 56.886 56.100 0.067 0.000 0.980 138 R CB -1.125 29.181 30.300 0.010 0.000 0.875 138 R HN 0.350 nan 8.270 nan 0.000 0.445 139 L N 0.533 121.676 121.223 -0.133 0.000 2.042 139 L HA -0.040 4.291 4.340 -0.015 0.000 0.210 139 L C 2.159 178.707 176.870 -0.537 0.000 1.076 139 L CA 2.220 56.830 54.840 -0.382 0.000 0.749 139 L CB -0.905 40.899 42.059 -0.424 0.000 0.893 139 L HN 0.231 nan 8.230 nan 0.000 0.432 140 A N -0.632 122.022 122.820 -0.278 0.000 1.908 140 A HA -0.194 4.117 4.320 -0.015 0.000 0.218 140 A C 2.438 180.064 177.584 0.070 0.000 1.181 140 A CA 2.058 54.009 52.037 -0.143 0.000 0.627 140 A CB -1.191 17.688 19.000 -0.203 0.000 0.818 140 A HN 0.573 nan 8.150 nan 0.000 0.445 141 A N -1.220 121.677 122.820 0.129 0.000 1.898 141 A HA -0.142 4.169 4.320 -0.015 0.000 0.216 141 A C 2.323 179.974 177.584 0.112 0.000 1.181 141 A CA 1.611 53.752 52.037 0.174 0.000 0.620 141 A CB -1.256 17.833 19.000 0.148 0.000 0.819 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.429 117.932 119.300 0.102 0.000 2.429 142 C HA -0.068 4.383 4.460 -0.015 0.000 0.277 142 C C 2.436 177.575 174.990 0.250 0.000 1.262 142 C CA 0.657 59.775 59.018 0.166 0.000 1.733 142 C CB -1.593 26.261 27.740 0.190 0.000 2.010 142 C HN 0.610 nan 8.230 nan 0.000 0.483 143 F N 1.202 121.133 119.950 -0.032 0.000 2.126 143 F HA -0.096 4.422 4.527 -0.015 0.000 0.299 143 F C 2.233 177.972 175.800 -0.103 0.000 1.096 143 F CA 1.097 59.026 58.000 -0.118 0.000 1.255 143 F CB -1.431 37.361 39.000 -0.348 0.000 0.997 143 F HN 0.206 nan 8.300 nan 0.000 0.479 144 L N -0.416 120.878 121.223 0.118 0.000 2.046 144 L HA -0.251 4.080 4.340 -0.015 0.000 0.208 144 L C 2.161 179.039 176.870 0.013 0.000 1.077 144 L CA 1.915 56.779 54.840 0.040 0.000 0.747 144 L CB -0.790 41.292 42.059 0.038 0.000 0.896 144 L HN 0.098 nan 8.230 nan 0.000 0.432 145 D N -0.454 119.964 120.400 0.029 0.000 2.104 145 D HA -0.177 4.454 4.640 -0.015 0.000 0.194 145 D C 2.197 178.512 176.300 0.025 0.000 0.994 145 D CA 1.543 55.548 54.000 0.008 0.000 0.830 145 D CB 0.197 40.999 40.800 0.003 0.000 0.959 145 D HN 0.095 nan 8.370 nan 0.000 0.452 146 S N -0.736 114.997 115.700 0.055 0.000 2.383 146 S HA -0.091 4.370 4.470 -0.015 0.000 0.227 146 S C 1.992 176.606 174.600 0.024 0.000 1.026 146 S CA 0.774 59.000 58.200 0.044 0.000 0.981 146 S CB -0.208 63.027 63.200 0.058 0.000 0.818 146 S HN 0.340 nan 8.310 nan 0.000 0.472 147 M N 1.050 120.657 119.600 0.011 0.000 2.159 147 M HA -0.114 4.358 4.480 -0.015 0.000 0.263 147 M C 2.467 178.768 176.300 0.001 0.000 1.063 147 M CA 1.469 56.771 55.300 0.002 0.000 1.110 147 M CB -0.533 32.048 32.600 -0.031 0.000 1.374 147 M HN 0.406 nan 8.290 nan 0.000 0.411 148 A N -0.260 122.556 122.820 -0.006 0.000 1.873 148 A HA -0.120 4.191 4.320 -0.015 0.000 0.215 148 A C 2.159 179.756 177.584 0.022 0.000 1.186 148 A CA 2.028 54.065 52.037 -0.001 0.000 0.616 148 A CB -1.108 17.875 19.000 -0.029 0.000 0.823 148 A HN 0.416 nan 8.150 nan 0.000 0.442 149 T N 0.296 114.868 114.554 0.030 0.000 2.881 149 T HA -0.023 4.318 4.350 -0.015 0.000 0.270 149 T C 1.285 176.014 174.700 0.049 0.000 1.068 149 T CA 1.140 63.272 62.100 0.053 0.000 1.131 149 T CB -0.278 68.630 68.868 0.067 0.000 0.871 149 T HN 0.328 nan 8.240 nan 0.000 0.479 150 L N 0.392 121.641 121.223 0.042 0.000 2.653 150 L HA 0.305 4.636 4.340 -0.015 0.000 0.231 150 L C 1.610 178.512 176.870 0.053 0.000 1.153 150 L CA -0.105 54.763 54.840 0.046 0.000 0.933 150 L CB -0.326 41.760 42.059 0.045 0.000 1.175 150 L HN 0.388 nan 8.230 nan 0.000 0.473 151 G N 1.097 109.931 108.800 0.058 0.000 2.249 151 G HA2 -0.290 3.662 3.960 -0.015 0.000 0.273 151 G HA3 -0.290 3.662 3.960 -0.015 0.000 0.273 151 G C 0.113 175.066 174.900 0.089 0.000 1.036 151 G CA 0.098 45.251 45.100 0.088 0.000 0.824 151 G HN 0.291 nan 8.290 nan 0.000 0.504 152 L N -0.134 121.110 121.223 0.036 0.000 2.334 152 L HA 0.617 4.949 4.340 -0.015 0.000 0.277 152 L C 1.208 177.970 176.870 -0.181 0.000 1.075 152 L CA -0.408 54.406 54.840 -0.042 0.000 0.804 152 L CB 1.618 43.663 42.059 -0.023 0.000 1.174 152 L HN 0.247 nan 8.230 nan 0.000 0.438 153 A N 3.100 125.668 122.820 -0.420 0.000 2.981 153 A HA 0.548 4.859 4.320 -0.015 0.000 0.280 153 A C 0.281 177.506 177.584 -0.598 0.000 1.743 153 A CA -0.111 51.379 52.037 -0.912 0.000 1.430 153 A CB -0.697 17.617 19.000 -1.145 0.000 1.085 153 A HN 0.694 nan 8.150 nan 0.000 0.597 154 A N 1.596 124.108 122.820 -0.513 0.000 2.350 154 A HA 0.795 5.106 4.320 -0.015 0.000 0.324 154 A C -1.153 176.141 177.584 -0.482 0.000 1.118 154 A CA -0.457 51.345 52.037 -0.392 0.000 0.783 154 A CB 0.846 19.697 19.000 -0.249 0.000 1.236 154 A HN 0.588 nan 8.150 nan 0.000 0.457 155 Y N 0.306 120.539 120.300 -0.112 0.000 2.361 155 Y HA 0.544 5.085 4.550 -0.014 0.000 0.337 155 Y C 0.808 176.796 175.900 0.147 0.000 0.965 155 Y CA -0.555 57.555 58.100 0.017 0.000 1.091 155 Y CB 2.342 40.911 38.460 0.181 0.000 1.182 155 Y HN 0.836 nan 8.280 nan 0.000 0.450 156 G N 2.274 111.157 108.800 0.138 0.000 2.325 156 G HA2 0.443 4.394 3.960 -0.015 0.000 0.298 156 G HA3 0.443 4.394 3.960 -0.015 0.000 0.298 156 G C -1.725 173.187 174.900 0.020 0.000 1.134 156 G CA -0.255 44.964 45.100 0.198 0.000 0.876 156 G HN 0.516 nan 8.290 nan 0.000 0.452 157 Y N 1.103 121.637 120.300 0.389 0.000 2.350 157 Y HA 0.630 5.171 4.550 -0.015 0.000 0.338 157 Y C 0.762 176.972 175.900 0.518 0.000 0.961 157 Y CA 0.241 58.538 58.100 0.330 0.000 1.100 157 Y CB 2.659 41.339 38.460 0.367 0.000 1.179 157 Y HN 0.874 nan 8.280 nan 0.000 0.454 158 G N 2.359 111.482 108.800 0.538 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 -1.740 173.398 174.900 0.396 0.000 1.217 158 G CA -0.819 44.626 45.100 0.575 0.000 0.831 158 G HN 0.422 nan 8.290 nan 0.000 0.523 159 I N 0.559 121.258 120.570 0.216 0.000 2.441 159 I HA 0.440 4.601 4.170 -0.015 0.000 0.295 159 I C 0.242 176.262 176.117 -0.161 0.000 0.994 159 I CA -0.725 60.581 61.300 0.010 0.000 1.144 159 I CB 2.246 40.055 38.000 -0.319 0.000 1.314 159 I HN 0.338 nan 8.210 nan 0.000 0.445 160 R N 5.949 126.450 120.500 0.002 0.000 2.608 160 R HA 0.238 4.569 4.340 -0.015 0.000 0.277 160 R C -1.285 175.060 176.300 0.074 0.000 1.341 160 R CA -0.414 55.721 56.100 0.057 0.000 1.199 160 R CB -0.032 30.279 30.300 0.019 0.000 1.156 160 R HN 0.398 nan 8.270 nan 0.000 0.558 161 Y N 1.428 121.887 120.300 0.264 0.000 2.425 161 Y HA -0.058 4.483 4.550 -0.015 0.000 0.331 161 Y C 1.587 177.666 175.900 0.298 0.000 1.157 161 Y CA -0.029 58.217 58.100 0.243 0.000 1.372 161 Y CB 0.907 39.488 38.460 0.203 0.000 1.253 161 Y HN 0.585 nan 8.280 nan 0.000 0.536 162 E N 2.154 122.530 120.200 0.293 0.000 2.106 162 E HA -0.081 4.261 4.350 -0.015 0.000 0.192 162 E C -0.726 175.733 176.600 -0.236 0.000 0.984 162 E CA 0.757 57.126 56.400 -0.053 0.000 0.806 162 E CB 0.160 29.739 29.700 -0.200 0.000 0.750 162 E HN 0.495 nan 8.360 nan 0.000 0.458 163 F N -0.005 120.158 119.950 0.354 0.000 2.460 163 F HA 0.444 4.962 4.527 -0.015 0.000 0.341 163 F C 0.794 176.687 175.800 0.155 0.000 1.130 163 F CA -0.764 57.404 58.000 0.281 0.000 0.962 163 F CB 1.762 40.857 39.000 0.159 0.000 1.171 163 F HN -0.096 nan 8.300 nan 0.000 0.436 164 G N 1.881 110.796 108.800 0.191 0.000 2.494 164 G HA2 0.332 4.283 3.960 -0.015 0.000 0.270 164 G HA3 0.332 4.283 3.960 -0.015 0.000 0.270 164 G C -0.429 174.418 174.900 -0.087 0.000 1.423 164 G CA -0.712 44.333 45.100 -0.092 0.000 1.055 164 G HN 0.571 nan 8.290 nan 0.000 0.536 165 I N 0.766 121.190 120.570 -0.244 0.000 2.826 165 I HA 0.150 4.311 4.170 -0.015 0.000 0.295 165 I C 0.568 176.566 176.117 -0.198 0.000 1.213 165 I CA -0.911 60.213 61.300 -0.294 0.000 1.436 165 I CB -0.326 37.388 38.000 -0.477 0.000 1.348 165 I HN 0.326 nan 8.210 nan 0.000 0.570 166 F N 5.210 125.168 119.950 0.012 0.000 2.595 166 F HA 0.203 4.721 4.527 -0.014 0.000 0.359 166 F C 0.499 176.348 175.800 0.082 0.000 1.147 166 F CA -0.688 57.344 58.000 0.054 0.000 1.341 166 F CB -0.699 38.323 39.000 0.037 0.000 1.104 166 F HN 0.514 nan 8.300 nan 0.000 0.603 167 N N 2.053 120.930 118.700 0.295 0.000 2.497 167 N HA 0.027 4.758 4.740 -0.015 0.000 0.268 167 N C -0.732 175.024 175.510 0.410 0.000 1.171 167 N CA -0.435 52.775 53.050 0.265 0.000 0.948 167 N CB 0.481 39.102 38.487 0.224 0.000 1.069 167 N HN 0.697 nan 8.380 nan 0.000 0.460 168 Q N 2.778 122.799 119.800 0.367 0.000 2.303 168 Q HA 0.177 4.509 4.340 -0.015 0.000 0.257 168 Q C -1.070 175.102 176.000 0.286 0.000 0.941 168 Q CA -0.555 55.484 55.803 0.393 0.000 0.931 168 Q CB 0.613 29.601 28.738 0.416 0.000 1.215 168 Q HN 0.330 nan 8.270 nan 0.000 0.437 169 K N 4.085 124.626 120.400 0.234 0.000 2.207 169 K HA 0.464 4.775 4.320 -0.015 0.000 0.255 169 K C -0.585 176.118 176.600 0.172 0.000 0.941 169 K CA -0.900 55.506 56.287 0.198 0.000 0.825 169 K CB 1.563 34.155 32.500 0.154 0.000 1.119 169 K HN 0.619 nan 8.250 nan 0.000 0.430 170 I N 1.817 122.485 120.570 0.164 0.000 2.312 170 I HA 0.146 4.307 4.170 -0.015 0.000 0.290 170 I C -0.106 176.073 176.117 0.105 0.000 1.008 170 I CA -0.783 60.583 61.300 0.109 0.000 1.226 170 I CB 0.906 38.955 38.000 0.082 0.000 1.371 170 I HN 0.480 nan 8.210 nan 0.000 0.468 171 C N 5.417 124.786 119.300 0.116 0.000 2.321 171 C HA 0.621 5.072 4.460 -0.015 0.000 0.323 171 C C 1.132 176.224 174.990 0.170 0.000 1.191 171 C CA 0.180 59.272 59.018 0.123 0.000 1.455 171 C CB -0.335 27.471 27.740 0.108 0.000 2.083 171 C HN 1.099 nan 8.230 nan 0.000 0.442 172 G N 4.072 112.944 108.800 0.119 0.000 2.249 172 G HA2 0.090 4.041 3.960 -0.015 0.000 0.273 172 G HA3 0.090 4.041 3.960 -0.015 0.000 0.273 172 G C 1.194 176.108 174.900 0.024 0.000 1.036 172 G CA 1.131 46.303 45.100 0.121 0.000 0.824 172 G HN 2.548 nan 8.290 nan 0.000 0.504 173 G N -2.870 105.891 108.800 -0.066 0.000 2.199 173 G HA2 -0.288 3.664 3.960 -0.015 0.000 0.254 173 G HA3 -0.288 3.664 3.960 -0.015 0.000 0.254 173 G C 0.356 175.017 174.900 -0.398 0.000 0.982 173 G CA 0.572 45.509 45.100 -0.272 0.000 0.632 173 G HN 1.192 nan 8.290 nan 0.000 0.529 174 W N 1.116 122.364 121.300 -0.087 0.000 2.496 174 W HA 0.653 5.304 4.660 -0.014 0.000 0.327 174 W C 0.668 177.134 176.519 -0.088 0.000 1.086 174 W CA -0.900 56.387 57.345 -0.097 0.000 1.222 174 W CB 0.872 30.292 29.460 -0.067 0.000 1.304 174 W HN 0.251 nan 8.180 nan 0.000 0.547 175 Q N 3.520 123.412 119.800 0.153 0.000 2.289 175 Q HA 0.138 4.469 4.340 -0.015 0.000 0.273 175 Q C -0.486 175.566 176.000 0.088 0.000 1.029 175 Q CA 0.291 56.156 55.803 0.104 0.000 0.896 175 Q CB 0.480 29.271 28.738 0.088 0.000 1.182 175 Q HN 0.317 nan 8.270 nan 0.000 0.385 176 M N 3.125 122.770 119.600 0.075 0.000 2.528 176 M HA 0.396 4.867 4.480 -0.015 0.000 0.321 176 M C -0.957 175.340 176.300 -0.006 0.000 1.153 176 M CA -0.707 54.602 55.300 0.016 0.000 0.951 176 M CB 1.748 34.371 32.600 0.039 0.000 1.705 176 M HN 0.578 nan 8.290 nan 0.000 0.451 177 E N 1.507 121.635 120.200 -0.120 0.000 2.179 177 E HA 0.464 4.806 4.350 -0.015 0.000 0.275 177 E C -0.789 175.802 176.600 -0.016 0.000 0.945 177 E CA -0.584 55.711 56.400 -0.175 0.000 0.792 177 E CB 1.565 30.905 29.700 -0.600 0.000 1.125 177 E HN 0.517 nan 8.360 nan 0.000 0.397 178 E N 0.831 121.101 120.200 0.117 0.000 2.293 178 E HA 0.719 5.060 4.350 -0.015 0.000 0.270 178 E C -1.042 175.654 176.600 0.161 0.000 0.879 178 E CA -1.519 54.944 56.400 0.104 0.000 0.756 178 E CB 1.491 31.255 29.700 0.107 0.000 1.208 178 E HN 0.457 nan 8.360 nan 0.000 0.428 179 A N 2.307 125.181 122.820 0.090 0.000 2.567 179 A HA 0.024 4.335 4.320 -0.015 0.000 0.240 179 A C -0.056 177.703 177.584 0.291 0.000 1.053 179 A CA 0.363 52.465 52.037 0.108 0.000 0.755 179 A CB -0.125 18.807 19.000 -0.114 0.000 0.978 179 A HN 0.724 nan 8.150 nan 0.000 0.507 180 D N 1.839 122.478 120.400 0.399 0.000 2.522 180 D HA 0.194 4.825 4.640 -0.015 0.000 0.218 180 D C -0.401 176.217 176.300 0.531 0.000 1.149 180 D CA -0.214 54.020 54.000 0.389 0.000 0.981 180 D CB 0.320 41.278 40.800 0.263 0.000 1.041 180 D HN 0.377 nan 8.370 nan 0.000 0.518 181 D N 3.718 124.395 120.400 0.462 0.000 2.688 181 D HA -0.020 4.611 4.640 -0.015 0.000 0.228 181 D C 1.046 177.467 176.300 0.202 0.000 1.116 181 D CA -0.565 53.621 54.000 0.311 0.000 1.023 181 D CB -0.184 40.810 40.800 0.323 0.000 1.100 181 D HN 0.571 nan 8.370 nan 0.000 0.487 182 W N 1.945 123.266 121.300 0.036 0.000 2.595 182 W HA 0.002 4.654 4.660 -0.015 0.000 0.257 182 W C 0.093 176.662 176.519 0.082 0.000 1.267 182 W CA 0.031 57.426 57.345 0.083 0.000 1.300 182 W CB -0.635 28.875 29.460 0.084 0.000 1.120 182 W HN 0.168 nan 8.180 nan 0.000 0.618 183 L N 0.919 121.755 121.223 -0.644 0.000 2.607 183 L HA 0.179 4.511 4.340 -0.015 0.000 0.228 183 L C 2.752 179.448 176.870 -0.290 0.000 1.123 183 L CA -0.024 54.414 54.840 -0.670 0.000 0.890 183 L CB -0.614 40.939 42.059 -0.844 0.000 1.103 183 L HN -0.109 nan 8.230 nan 0.000 0.468 184 R N 0.528 120.920 120.500 -0.179 0.000 2.113 184 R HA -0.235 4.096 4.340 -0.015 0.000 0.244 184 R C 1.513 177.652 176.300 -0.268 0.000 1.142 184 R CA 2.151 58.117 56.100 -0.224 0.000 0.953 184 R CB -0.202 29.950 30.300 -0.248 0.000 0.860 184 R HN 0.305 nan 8.270 nan 0.000 0.438 185 Y N -0.597 119.712 120.300 0.015 0.000 2.466 185 Y HA 0.293 4.834 4.550 -0.015 0.000 0.272 185 Y C 0.776 176.648 175.900 -0.047 0.000 1.169 185 Y CA 0.430 58.549 58.100 0.031 0.000 1.285 185 Y CB 0.771 39.368 38.460 0.227 0.000 1.078 185 Y HN 0.389 nan 8.280 nan 0.000 0.523 186 G N 1.433 110.261 108.800 0.046 0.000 2.785 186 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.686 186 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.686 186 G C -1.141 173.810 174.900 0.085 0.000 1.155 186 G CA -0.868 44.219 45.100 -0.022 0.000 0.760 186 G HN 0.271 nan 8.290 nan 0.000 0.624 187 N N 2.371 121.059 118.700 -0.019 0.000 2.485 187 N HA 0.565 5.296 4.740 -0.015 0.000 0.243 187 N C -0.373 175.135 175.510 -0.003 0.000 0.987 187 N CA -2.148 50.922 53.050 0.034 0.000 0.940 187 N CB 1.625 40.063 38.487 -0.082 0.000 1.122 187 N HN 0.243 nan 8.380 nan 0.000 0.509 188 P HA 0.001 nan 4.420 nan 0.000 0.229 188 P C 0.410 177.388 177.300 -0.538 0.000 1.160 188 P CA 0.787 63.602 63.100 -0.475 0.000 0.777 188 P CB 0.020 31.248 31.700 -0.786 0.000 0.814 189 W N 1.750 123.060 121.300 0.018 0.000 3.139 189 W HA 0.102 4.754 4.660 -0.014 0.000 0.260 189 W C 1.083 177.618 176.519 0.027 0.000 1.312 189 W CA -0.466 56.877 57.345 -0.004 0.000 1.606 189 W CB -0.051 29.418 29.460 0.014 0.000 1.118 189 W HN 0.049 nan 8.180 nan 0.000 0.675 190 E N 1.215 121.554 120.200 0.231 0.000 2.212 190 E HA 0.469 4.811 4.350 -0.015 0.000 0.270 190 E C -0.822 175.922 176.600 0.241 0.000 0.956 190 E CA -1.062 55.491 56.400 0.254 0.000 0.825 190 E CB 1.677 31.548 29.700 0.284 0.000 1.167 190 E HN -0.308 nan 8.360 nan 0.000 0.400 191 K N 1.478 122.047 120.400 0.280 0.000 2.450 191 K HA 0.448 4.759 4.320 -0.015 0.000 0.257 191 K C -1.142 175.501 176.600 0.073 0.000 0.953 191 K CA -0.488 55.911 56.287 0.186 0.000 0.844 191 K CB 1.617 34.234 32.500 0.194 0.000 1.103 191 K HN 0.672 nan 8.250 nan 0.000 0.429 192 A N 4.291 127.076 122.820 -0.060 0.000 2.511 192 A HA 0.303 4.614 4.320 -0.015 0.000 0.242 192 A C -0.228 177.208 177.584 -0.247 0.000 1.069 192 A CA -0.074 51.690 52.037 -0.455 0.000 0.763 192 A CB 0.191 18.926 19.000 -0.441 0.000 1.001 192 A HN 0.682 nan 8.150 nan 0.000 0.498 193 R N 3.171 123.517 120.500 -0.257 0.000 3.026 193 R HA 0.198 4.529 4.340 -0.015 0.000 0.317 193 R C -2.292 174.014 176.300 0.010 0.000 1.278 193 R CA -1.705 54.383 56.100 -0.019 0.000 1.407 193 R CB 0.528 30.906 30.300 0.129 0.000 1.368 193 R HN 0.548 nan 8.270 nan 0.000 0.612 194 P HA -0.199 nan 4.420 nan 0.000 0.220 194 P C 0.956 178.243 177.300 -0.022 0.000 1.144 194 P CA 1.181 64.261 63.100 -0.033 0.000 0.800 194 P CB 0.342 32.013 31.700 -0.048 0.000 0.772 195 E N -0.324 119.823 120.200 -0.088 0.000 2.347 195 E HA -0.125 4.216 4.350 -0.015 0.000 0.196 195 E C 0.722 177.112 176.600 -0.349 0.000 1.008 195 E CA 0.782 57.034 56.400 -0.248 0.000 0.852 195 E CB -0.869 28.595 29.700 -0.393 0.000 0.783 195 E HN 0.300 nan 8.360 nan 0.000 0.505 196 F N 1.966 121.933 119.950 0.028 0.000 2.668 196 F HA 0.237 4.756 4.527 -0.014 0.000 0.297 196 F C 0.423 176.322 175.800 0.166 0.000 1.124 196 F CA -0.312 57.739 58.000 0.084 0.000 1.353 196 F CB 0.404 39.452 39.000 0.079 0.000 0.992 196 F HN -0.290 nan 8.300 nan 0.000 0.524 197 T N 2.831 117.522 114.554 0.229 0.000 2.916 197 T HA 0.289 4.630 4.350 -0.015 0.000 0.303 197 T C -0.268 174.529 174.700 0.163 0.000 1.025 197 T CA 0.294 62.529 62.100 0.224 0.000 1.142 197 T CB 0.767 69.719 68.868 0.139 0.000 0.947 197 T HN -0.147 nan 8.240 nan 0.000 0.544 198 L N 5.465 126.762 121.223 0.123 0.000 2.388 198 L HA 0.588 4.919 4.340 -0.015 0.000 0.264 198 L C -2.278 174.557 176.870 -0.059 0.000 0.998 198 L CA -2.619 52.224 54.840 0.005 0.000 0.817 198 L CB 2.022 44.021 42.059 -0.100 0.000 1.338 198 L HN 0.378 nan 8.230 nan 0.000 0.414 199 P HA 0.378 nan 4.420 nan 0.000 0.288 199 P C -1.168 176.003 177.300 -0.216 0.000 1.267 199 P CA -0.377 62.640 63.100 -0.139 0.000 0.815 199 P CB 1.701 33.313 31.700 -0.146 0.000 0.989 200 V N 3.968 123.733 119.914 -0.248 0.000 2.604 200 V HA 0.331 4.442 4.120 -0.015 0.000 0.305 200 V C 0.153 176.021 176.094 -0.377 0.000 1.043 200 V CA -0.605 61.532 62.300 -0.272 0.000 0.888 200 V CB 1.448 33.148 31.823 -0.205 0.000 0.995 200 V HN 0.603 nan 8.190 nan 0.000 0.429 201 H N 3.799 122.700 119.070 -0.283 0.000 2.472 201 H HA 0.617 5.164 4.556 -0.015 0.000 0.338 201 H C -1.353 173.723 175.328 -0.419 0.000 1.133 201 H CA -0.177 55.644 56.048 -0.378 0.000 1.216 201 H CB 1.965 31.267 29.762 -0.768 0.000 1.497 201 H HN 0.453 nan 8.280 nan 0.000 0.500 202 F N 0.341 120.374 119.950 0.139 0.000 2.613 202 F HA 0.215 4.734 4.527 -0.015 0.000 0.314 202 F C -0.209 175.732 175.800 0.235 0.000 1.075 202 F CA -0.542 57.547 58.000 0.148 0.000 0.945 202 F CB 0.882 39.871 39.000 -0.019 0.000 1.310 202 F HN 0.581 nan 8.300 nan 0.000 0.467 203 Y N 0.138 120.759 120.300 0.535 0.000 2.896 203 Y HA -0.003 4.538 4.550 -0.015 0.000 0.466 203 Y C 1.412 177.587 175.900 0.458 0.000 1.197 203 Y CA 0.700 59.026 58.100 0.376 0.000 2.513 203 Y CB -1.905 36.701 38.460 0.243 0.000 1.232 203 Y HN 1.309 nan 8.280 nan 0.000 0.632 204 G N 0.726 109.816 108.800 0.485 0.000 2.598 204 G HA2 0.080 4.031 3.960 -0.015 0.000 0.244 204 G HA3 0.080 4.031 3.960 -0.015 0.000 0.244 204 G C -0.537 174.587 174.900 0.372 0.000 1.302 204 G CA 0.990 46.304 45.100 0.357 0.000 0.903 204 G HN 1.375 nan 8.290 nan 0.000 0.575 205 R N -2.555 118.161 120.500 0.361 0.000 2.734 205 R HA 0.698 5.029 4.340 -0.015 0.000 0.271 205 R C -1.390 175.053 176.300 0.239 0.000 1.021 205 R CA -0.992 55.256 56.100 0.247 0.000 0.893 205 R CB 1.358 31.753 30.300 0.159 0.000 1.244 205 R HN 0.882 nan 8.270 nan 0.000 0.464 206 V N 0.982 120.963 119.914 0.112 0.000 2.394 206 V HA 0.351 4.462 4.120 -0.015 0.000 0.282 206 V C -0.204 175.886 176.094 -0.007 0.000 1.031 206 V CA -0.487 61.821 62.300 0.013 0.000 0.881 206 V CB 1.223 32.995 31.823 -0.086 0.000 0.982 206 V HN 0.737 nan 8.190 nan 0.000 0.451 207 E N 3.011 123.178 120.200 -0.056 0.000 2.171 207 E HA 0.408 4.750 4.350 -0.015 0.000 0.271 207 E C -0.959 175.550 176.600 -0.152 0.000 0.916 207 E CA -0.689 55.696 56.400 -0.025 0.000 0.774 207 E CB 0.950 30.660 29.700 0.017 0.000 1.128 207 E HN 0.722 nan 8.360 nan 0.000 0.403 208 H N 2.511 121.597 119.070 0.025 0.000 2.519 208 H HA 0.211 4.758 4.556 -0.015 0.000 0.316 208 H C 0.112 175.449 175.328 0.016 0.000 1.065 208 H CA -0.340 55.718 56.048 0.017 0.000 1.264 208 H CB 1.390 31.157 29.762 0.009 0.000 1.413 208 H HN 0.573 nan 8.280 nan 0.000 0.465 209 T N -0.603 114.006 114.554 0.091 0.000 2.922 209 T HA 0.177 4.519 4.350 -0.015 0.000 0.281 209 T C 1.436 176.173 174.700 0.062 0.000 1.005 209 T CA -0.735 61.402 62.100 0.062 0.000 0.982 209 T CB 1.190 70.078 68.868 0.033 0.000 1.158 209 T HN 0.386 nan 8.240 nan 0.000 0.566 210 S N -0.018 115.708 115.700 0.042 0.000 2.370 210 S HA -0.092 4.370 4.470 -0.015 0.000 0.226 210 S C 0.963 175.584 174.600 0.034 0.000 1.033 210 S CA 1.274 59.494 58.200 0.034 0.000 1.011 210 S CB -0.395 62.820 63.200 0.025 0.000 0.852 210 S HN 0.728 nan 8.310 nan 0.000 0.457 211 Q N 0.021 119.840 119.800 0.032 0.000 2.788 211 Q HA 0.549 4.880 4.340 -0.015 0.000 0.261 211 Q C -0.110 175.907 176.000 0.028 0.000 1.029 211 Q CA 0.225 56.046 55.803 0.029 0.000 0.848 211 Q CB 0.819 29.571 28.738 0.023 0.000 1.185 211 Q HN 0.443 nan 8.270 nan 0.000 0.482 212 G N 0.505 109.328 108.800 0.039 0.000 2.570 212 G HA2 0.205 4.156 3.960 -0.015 0.000 0.686 212 G HA3 0.205 4.156 3.960 -0.015 0.000 0.686 212 G C -0.808 174.094 174.900 0.004 0.000 1.257 212 G CA -0.650 44.468 45.100 0.030 0.000 0.846 212 G HN 0.637 nan 8.290 nan 0.000 0.627 213 A N 0.864 123.657 122.820 -0.044 0.000 2.332 213 A HA 0.774 5.085 4.320 -0.015 0.000 0.258 213 A C 0.476 177.991 177.584 -0.116 0.000 1.087 213 A CA 0.220 52.137 52.037 -0.200 0.000 0.802 213 A CB 0.682 19.511 19.000 -0.284 0.000 1.042 213 A HN 0.785 nan 8.150 nan 0.000 0.489 214 K N 0.322 120.651 120.400 -0.118 0.000 2.501 214 K HA 0.193 4.505 4.320 -0.015 0.000 0.252 214 K C -1.989 174.647 176.600 0.060 0.000 0.934 214 K CA -0.330 55.944 56.287 -0.020 0.000 0.797 214 K CB 2.180 34.672 32.500 -0.013 0.000 1.270 214 K HN 0.747 nan 8.250 nan 0.000 0.431 215 W N 5.106 126.329 121.300 -0.129 0.000 2.314 215 W HA 0.401 5.052 4.660 -0.015 0.000 0.310 215 W C -0.688 175.781 176.519 -0.084 0.000 1.075 215 W CA -0.761 56.519 57.345 -0.110 0.000 1.253 215 W CB 0.263 29.643 29.460 -0.133 0.000 1.238 215 W HN 0.305 nan 8.180 nan 0.000 0.440 216 V N 2.740 122.713 119.914 0.100 0.000 3.141 216 V HA 0.610 4.721 4.120 -0.015 0.000 0.312 216 V C -0.281 175.804 176.094 -0.014 0.000 1.157 216 V CA -1.011 61.274 62.300 -0.025 0.000 1.041 216 V CB 2.009 33.845 31.823 0.022 0.000 1.071 216 V HN 0.474 nan 8.190 nan 0.000 0.441 217 D N 0.307 120.696 120.400 -0.018 0.000 2.772 217 D HA -0.137 4.494 4.640 -0.015 0.000 0.233 217 D C 0.533 176.850 176.300 0.028 0.000 1.143 217 D CA 1.556 55.566 54.000 0.018 0.000 0.700 217 D CB -1.603 39.230 40.800 0.054 0.000 1.076 217 D HN 1.343 nan 8.370 nan 0.000 0.430 218 T N -2.711 111.815 114.554 -0.046 0.000 2.904 218 T HA 0.455 4.796 4.350 -0.015 0.000 0.290 218 T C 0.471 175.228 174.700 0.095 0.000 1.018 218 T CA -0.727 61.361 62.100 -0.019 0.000 1.075 218 T CB 1.847 70.545 68.868 -0.284 0.000 0.986 218 T HN 0.045 nan 8.240 nan 0.000 0.523 219 Q N 0.985 120.914 119.800 0.214 0.000 2.267 219 Q HA 0.514 4.845 4.340 -0.015 0.000 0.255 219 Q C -0.790 175.334 176.000 0.206 0.000 0.923 219 Q CA -0.776 55.169 55.803 0.238 0.000 0.925 219 Q CB 1.597 30.553 28.738 0.362 0.000 1.195 219 Q HN 0.518 nan 8.270 nan 0.000 0.417 220 V N 3.451 123.440 119.914 0.125 0.000 2.427 220 V HA 0.357 4.469 4.120 -0.015 0.000 0.286 220 V C -0.242 175.944 176.094 0.153 0.000 1.034 220 V CA -0.598 61.700 62.300 -0.004 0.000 0.893 220 V CB 1.655 33.411 31.823 -0.113 0.000 0.982 220 V HN 0.490 nan 8.190 nan 0.000 0.452 221 V N 6.090 126.106 119.914 0.170 0.000 2.604 221 V HA 0.471 4.583 4.120 -0.015 0.000 0.305 221 V C -0.126 176.073 176.094 0.176 0.000 1.043 221 V CA -0.653 61.775 62.300 0.213 0.000 0.888 221 V CB 1.923 33.950 31.823 0.340 0.000 0.995 221 V HN 0.634 nan 8.190 nan 0.000 0.429 222 L N 3.725 125.044 121.223 0.161 0.000 2.326 222 L HA 0.684 5.015 4.340 -0.015 0.000 0.278 222 L C 0.512 177.573 176.870 0.319 0.000 1.092 222 L CA -0.275 54.664 54.840 0.164 0.000 0.810 222 L CB 1.187 43.320 42.059 0.124 0.000 1.153 222 L HN 0.747 nan 8.230 nan 0.000 0.439 223 A N 5.409 128.367 122.820 0.231 0.000 2.256 223 A HA 0.561 4.872 4.320 -0.015 0.000 0.317 223 A C -0.402 177.462 177.584 0.467 0.000 1.318 223 A CA -0.461 51.746 52.037 0.283 0.000 0.894 223 A CB 0.764 19.476 19.000 -0.480 0.000 1.165 223 A HN 0.796 nan 8.150 nan 0.000 0.525 224 M N 6.035 125.964 119.600 0.549 0.000 2.129 224 M HA 0.439 4.910 4.480 -0.015 0.000 0.348 224 M C -2.595 173.963 176.300 0.430 0.000 1.116 224 M CA -2.172 53.386 55.300 0.430 0.000 1.022 224 M CB 1.893 34.666 32.600 0.288 0.000 1.599 224 M HN 0.326 nan 8.290 nan 0.000 0.449 225 P HA 0.246 nan 4.420 nan 0.000 0.282 225 P C -1.908 175.304 177.300 -0.147 0.000 1.249 225 P CA 0.026 63.011 63.100 -0.192 0.000 0.806 225 P CB 0.476 31.870 31.700 -0.509 0.000 0.984 226 Y N 0.511 120.728 120.300 -0.138 0.000 2.350 226 Y HA 0.322 4.863 4.550 -0.015 0.000 0.338 226 Y C 0.208 176.069 175.900 -0.065 0.000 0.961 226 Y CA -0.335 57.742 58.100 -0.039 0.000 1.100 226 Y CB 1.348 39.822 38.460 0.023 0.000 1.179 226 Y HN 0.213 nan 8.280 nan 0.000 0.454 227 D N 1.991 122.471 120.400 0.134 0.000 2.193 227 D HA 0.392 5.023 4.640 -0.015 0.000 0.244 227 D C -0.603 175.875 176.300 0.297 0.000 1.064 227 D CA -0.202 53.910 54.000 0.187 0.000 0.845 227 D CB 1.759 42.709 40.800 0.249 0.000 1.148 227 D HN 0.377 nan 8.370 nan 0.000 0.464 228 T N 3.312 117.941 114.554 0.125 0.000 2.824 228 T HA 0.468 4.809 4.350 -0.015 0.000 0.282 228 T C -2.511 171.994 174.700 -0.325 0.000 0.993 228 T CA -1.464 60.614 62.100 -0.037 0.000 0.967 228 T CB 2.052 70.912 68.868 -0.014 0.000 0.960 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.347 nan 4.420 nan 0.000 0.278 229 P C -1.013 175.965 177.300 -0.538 0.000 1.238 229 P CA -0.453 61.994 63.100 -1.088 0.000 0.794 229 P CB 0.846 31.589 31.700 -1.595 0.000 0.955 230 V N 4.671 124.334 119.914 -0.417 0.000 2.304 230 V HA 0.277 4.389 4.120 -0.015 0.000 0.278 230 V C -2.121 173.844 176.094 -0.215 0.000 1.018 230 V CA -1.945 60.198 62.300 -0.261 0.000 0.814 230 V CB 1.267 32.980 31.823 -0.184 0.000 1.021 230 V HN 0.540 nan 8.190 nan 0.000 0.440 231 P HA 0.284 nan 4.420 nan 0.000 0.285 231 P C 0.394 177.645 177.300 -0.082 0.000 1.259 231 P CA 0.235 63.251 63.100 -0.140 0.000 0.794 231 P CB 1.471 33.088 31.700 -0.139 0.000 0.940 232 G N 2.213 110.982 108.800 -0.052 0.000 2.606 232 G HA2 0.092 4.044 3.960 -0.015 0.000 0.252 232 G HA3 0.092 4.044 3.960 -0.015 0.000 0.252 232 G C -1.085 173.825 174.900 0.017 0.000 1.206 232 G CA -0.386 44.712 45.100 -0.004 0.000 0.861 232 G HN 0.476 nan 8.290 nan 0.000 0.561 233 Y N 0.649 120.910 120.300 -0.064 0.000 2.624 233 Y HA 0.266 4.807 4.550 -0.015 0.000 0.354 233 Y C 1.291 177.153 175.900 -0.062 0.000 1.051 233 Y CA -0.277 57.780 58.100 -0.071 0.000 1.377 233 Y CB -0.030 38.386 38.460 -0.074 0.000 1.168 233 Y HN 0.732 nan 8.280 nan 0.000 0.525 234 R N 2.519 122.731 120.500 -0.480 0.000 3.758 234 R HA -0.318 4.013 4.340 -0.015 0.000 0.299 234 R C 0.197 176.361 176.300 -0.226 0.000 1.182 234 R CA 1.476 57.310 56.100 -0.443 0.000 0.809 234 R CB -1.958 27.912 30.300 -0.717 0.000 1.249 234 R HN 0.941 nan 8.270 nan 0.000 0.497 235 N N -1.164 117.454 118.700 -0.137 0.000 2.177 235 N HA 0.054 4.785 4.740 -0.015 0.000 0.218 235 N C -0.204 175.261 175.510 -0.075 0.000 1.182 235 N CA -0.272 52.729 53.050 -0.081 0.000 0.882 235 N CB 0.472 38.937 38.487 -0.037 0.000 1.052 235 N HN 0.092 nan 8.380 nan 0.000 0.519 236 N N -0.136 118.514 118.700 -0.083 0.000 2.713 236 N HA -0.140 4.591 4.740 -0.015 0.000 0.251 236 N C -0.886 174.585 175.510 -0.065 0.000 1.117 236 N CA 0.577 53.586 53.050 -0.069 0.000 0.770 236 N CB -1.356 37.091 38.487 -0.067 0.000 1.137 236 N HN 0.196 nan 8.380 nan 0.000 0.566 237 V N 1.172 121.052 119.914 -0.056 0.000 2.498 237 V HA 0.379 4.490 4.120 -0.015 0.000 0.279 237 V C 0.607 176.676 176.094 -0.043 0.000 1.048 237 V CA -0.407 61.868 62.300 -0.042 0.000 0.967 237 V CB 2.035 33.859 31.823 0.001 0.000 0.988 237 V HN -0.019 nan 8.190 nan 0.000 0.473 238 V N 5.575 125.468 119.914 -0.035 0.000 2.419 238 V HA 0.428 4.539 4.120 -0.015 0.000 0.287 238 V C -0.099 175.988 176.094 -0.011 0.000 1.017 238 V CA -0.885 61.372 62.300 -0.071 0.000 0.844 238 V CB 1.438 33.207 31.823 -0.089 0.000 1.011 238 V HN 0.837 nan 8.190 nan 0.000 0.429 239 N N 1.925 120.587 118.700 -0.064 0.000 2.405 239 N HA 0.561 5.292 4.740 -0.015 0.000 0.269 239 N C -0.034 175.439 175.510 -0.062 0.000 1.249 239 N CA -0.290 52.736 53.050 -0.041 0.000 0.974 239 N CB 1.158 39.582 38.487 -0.106 0.000 1.204 239 N HN 0.570 nan 8.380 nan 0.000 0.565 240 T N 0.792 115.317 114.554 -0.048 0.000 2.824 240 T HA 0.380 4.721 4.350 -0.015 0.000 0.282 240 T C -0.217 174.435 174.700 -0.079 0.000 0.993 240 T CA -0.500 61.640 62.100 0.066 0.000 0.967 240 T CB 0.971 70.010 68.868 0.285 0.000 0.960 240 T HN 0.289 nan 8.240 nan 0.000 0.441 241 M N 3.875 123.389 119.600 -0.144 0.000 2.088 241 M HA 0.499 4.970 4.480 -0.015 0.000 0.346 241 M C -0.433 175.700 176.300 -0.279 0.000 1.111 241 M CA -0.739 54.394 55.300 -0.279 0.000 1.017 241 M CB 0.688 33.062 32.600 -0.378 0.000 1.568 241 M HN 0.482 nan 8.290 nan 0.000 0.445 242 R N 5.953 126.172 120.500 -0.467 0.000 2.265 242 R HA 0.604 4.935 4.340 -0.015 0.000 0.328 242 R C -1.941 174.041 176.300 -0.531 0.000 0.969 242 R CA -0.412 55.353 56.100 -0.559 0.000 0.832 242 R CB 0.825 30.587 30.300 -0.898 0.000 1.139 242 R HN 0.813 nan 8.270 nan 0.000 0.457 243 L N 5.161 126.186 121.223 -0.331 0.000 2.313 243 L HA 0.494 4.826 4.340 -0.015 0.000 0.283 243 L C -0.845 175.969 176.870 -0.094 0.000 1.013 243 L CA -0.911 53.838 54.840 -0.152 0.000 0.816 243 L CB 1.448 43.508 42.059 0.001 0.000 1.236 243 L HN 0.581 nan 8.230 nan 0.000 0.419 244 W N 2.089 123.510 121.300 0.201 0.000 2.316 244 W HA 0.453 5.104 4.660 -0.015 0.000 0.311 244 W C 0.625 177.379 176.519 0.391 0.000 1.217 244 W CA -0.146 57.348 57.345 0.250 0.000 1.199 244 W CB 1.328 30.795 29.460 0.011 0.000 1.202 244 W HN 0.352 nan 8.180 nan 0.000 0.528 245 S N 1.972 118.072 115.700 0.668 0.000 2.501 245 S HA 0.791 5.252 4.470 -0.015 0.000 0.301 245 S C -0.391 174.544 174.600 0.557 0.000 1.096 245 S CA -0.723 57.775 58.200 0.497 0.000 1.063 245 S CB 0.661 64.097 63.200 0.393 0.000 1.042 245 S HN 0.521 nan 8.310 nan 0.000 0.494 246 A N 4.726 127.697 122.820 0.252 0.000 2.328 246 A HA 0.685 4.996 4.320 -0.015 0.000 0.284 246 A C -0.421 177.218 177.584 0.092 0.000 1.160 246 A CA -0.447 51.632 52.037 0.070 0.000 0.818 246 A CB 0.347 19.114 19.000 -0.387 0.000 1.087 246 A HN 0.673 nan 8.150 nan 0.000 0.504 247 K N 1.393 121.866 120.400 0.123 0.000 2.427 247 K HA 0.606 4.917 4.320 -0.015 0.000 0.252 247 K C -0.412 176.188 176.600 0.000 0.000 0.931 247 K CA -0.445 55.879 56.287 0.061 0.000 0.793 247 K CB 2.209 34.775 32.500 0.110 0.000 1.211 247 K HN 0.785 nan 8.250 nan 0.000 0.426 248 A N 4.039 126.797 122.820 -0.104 0.000 2.425 248 A HA 0.431 4.742 4.320 -0.015 0.000 0.249 248 A C -2.048 175.530 177.584 -0.009 0.000 1.084 248 A CA -0.878 51.046 52.037 -0.189 0.000 0.781 248 A CB -0.453 18.250 19.000 -0.494 0.000 1.019 248 A HN 0.350 nan 8.150 nan 0.000 0.490 249 P HA 0.150 nan 4.420 nan 0.000 0.272 249 P C 0.139 177.526 177.300 0.145 0.000 1.240 249 P CA -0.470 62.702 63.100 0.119 0.000 0.791 249 P CB 0.542 32.324 31.700 0.137 0.000 0.978 250 N N 0.770 119.535 118.700 0.109 0.000 2.396 250 N HA -0.105 4.626 4.740 -0.015 0.000 0.180 250 N C 0.731 176.316 175.510 0.125 0.000 1.028 250 N CA 0.993 54.106 53.050 0.105 0.000 0.893 250 N CB -0.457 38.075 38.487 0.076 0.000 0.967 250 N HN 0.554 nan 8.380 nan 0.000 0.440 251 D N -0.611 119.862 120.400 0.122 0.000 2.328 251 D HA -0.076 4.555 4.640 -0.015 0.000 0.226 251 D C 0.215 176.584 176.300 0.114 0.000 1.066 251 D CA -0.559 53.502 54.000 0.102 0.000 0.861 251 D CB -1.009 39.831 40.800 0.065 0.000 0.912 251 D HN 0.068 nan 8.370 nan 0.000 0.521 252 F N 2.078 122.043 119.950 0.025 0.000 2.612 252 F HA -0.006 4.512 4.527 -0.015 0.000 0.389 252 F C 0.843 176.649 175.800 0.011 0.000 1.055 252 F CA 0.446 58.458 58.000 0.019 0.000 1.232 252 F CB 0.162 39.172 39.000 0.018 0.000 1.044 252 F HN -0.159 nan 8.300 nan 0.000 0.560 253 N N 2.238 120.533 118.700 -0.674 0.000 2.809 253 N HA -0.294 4.437 4.740 -0.015 0.000 0.244 253 N C -0.467 174.955 175.510 -0.148 0.000 1.018 253 N CA 1.557 54.347 53.050 -0.433 0.000 0.917 253 N CB -1.202 37.079 38.487 -0.343 0.000 1.130 253 N HN 0.549 nan 8.380 nan 0.000 0.591 262 Y N 1.675 121.983 120.300 0.013 0.000 2.081 262 Y HA -0.120 4.421 4.550 -0.015 0.000 0.280 262 Y C 2.763 178.679 175.900 0.027 0.000 1.163 262 Y CA 2.474 60.585 58.100 0.019 0.000 1.135 262 Y CB -0.164 38.306 38.460 0.016 0.000 0.970 262 Y HN 0.203 nan 8.280 nan 0.000 0.498 263 I N 0.455 120.965 120.570 -0.099 0.000 2.163 263 I HA -0.327 3.834 4.170 -0.015 0.000 0.243 263 I C 2.397 178.417 176.117 -0.162 0.000 1.085 263 I CA 1.577 62.768 61.300 -0.181 0.000 1.347 263 I CB -1.422 36.575 38.000 -0.005 0.000 1.044 263 I HN 0.398 nan 8.210 nan 0.000 0.408 264 Q N 0.469 120.225 119.800 -0.073 0.000 2.096 264 Q HA -0.148 4.183 4.340 -0.015 0.000 0.204 264 Q C 2.392 178.369 176.000 -0.039 0.000 0.982 264 Q CA 1.925 57.704 55.803 -0.040 0.000 0.850 264 Q CB -0.431 28.300 28.738 -0.010 0.000 0.901 264 Q HN 0.560 nan 8.270 nan 0.000 0.422 265 A N 0.088 122.870 122.820 -0.064 0.000 1.908 265 A HA -0.151 4.160 4.320 -0.015 0.000 0.218 265 A C 2.430 180.012 177.584 -0.003 0.000 1.181 265 A CA 1.759 53.780 52.037 -0.028 0.000 0.627 265 A CB -0.727 18.249 19.000 -0.039 0.000 0.818 265 A HN 0.228 nan 8.150 nan 0.000 0.445 266 V N 0.167 119.987 119.914 -0.158 0.000 2.295 266 V HA -0.249 3.863 4.120 -0.015 0.000 0.246 266 V C 2.536 178.599 176.094 -0.051 0.000 1.049 266 V CA 1.924 64.144 62.300 -0.133 0.000 1.024 266 V CB -0.779 30.868 31.823 -0.294 0.000 0.648 266 V HN 0.572 nan 8.190 nan 0.000 0.447 267 L N -0.203 120.987 121.223 -0.055 0.000 2.131 267 L HA -0.154 4.177 4.340 -0.015 0.000 0.210 267 L C 2.043 178.922 176.870 0.015 0.000 1.092 267 L CA 1.236 56.062 54.840 -0.022 0.000 0.759 267 L CB -0.679 41.367 42.059 -0.022 0.000 0.903 267 L HN 0.333 nan 8.230 nan 0.000 0.435 268 D N -0.013 120.430 120.400 0.070 0.000 2.371 268 D HA -0.079 4.552 4.640 -0.015 0.000 0.221 268 D C 2.141 178.540 176.300 0.165 0.000 0.986 268 D CA 0.455 54.548 54.000 0.156 0.000 0.899 268 D CB -0.005 40.929 40.800 0.223 0.000 0.902 268 D HN 0.225 nan 8.370 nan 0.000 0.530 269 R N 0.322 120.825 120.500 0.006 0.000 2.159 269 R HA -0.088 4.243 4.340 -0.015 0.000 0.237 269 R C 1.741 177.849 176.300 -0.320 0.000 1.131 269 R CA 0.973 56.844 56.100 -0.382 0.000 0.982 269 R CB -0.293 29.872 30.300 -0.224 0.000 0.868 269 R HN 0.346 nan 8.270 nan 0.000 0.453 270 N N 0.289 118.910 118.700 -0.130 0.000 2.137 270 N HA -0.203 4.528 4.740 -0.015 0.000 0.190 270 N C 1.280 176.742 175.510 -0.079 0.000 1.017 270 N CA 0.855 53.857 53.050 -0.080 0.000 0.859 270 N CB -0.118 38.353 38.487 -0.026 0.000 1.002 270 N HN 0.024 nan 8.380 nan 0.000 0.428 271 L N 0.967 122.154 121.223 -0.060 0.000 2.042 271 L HA -0.143 4.188 4.340 -0.015 0.000 0.210 271 L C 2.421 179.249 176.870 -0.069 0.000 1.076 271 L CA 1.449 56.280 54.840 -0.015 0.000 0.749 271 L CB -0.999 41.112 42.059 0.087 0.000 0.893 271 L HN 0.166 nan 8.230 nan 0.000 0.432 272 A N -0.826 121.876 122.820 -0.197 0.000 1.872 272 A HA -0.165 4.147 4.320 -0.015 0.000 0.214 272 A C 2.166 179.643 177.584 -0.179 0.000 1.187 272 A CA 1.377 53.289 52.037 -0.209 0.000 0.614 272 A CB -0.444 18.305 19.000 -0.418 0.000 0.826 272 A HN 0.506 nan 8.150 nan 0.000 0.442 273 E N 0.163 120.259 120.200 -0.174 0.000 2.347 273 E HA -0.100 4.241 4.350 -0.015 0.000 0.196 273 E C 1.153 177.712 176.600 -0.069 0.000 1.008 273 E CA 0.359 56.692 56.400 -0.113 0.000 0.852 273 E CB -0.184 29.466 29.700 -0.083 0.000 0.783 273 E HN 0.466 nan 8.360 nan 0.000 0.505 274 N N 1.199 119.866 118.700 -0.055 0.000 2.348 274 N HA -0.149 4.582 4.740 -0.015 0.000 0.185 274 N C 1.644 177.150 175.510 -0.007 0.000 1.019 274 N CA 0.786 53.833 53.050 -0.006 0.000 0.880 274 N CB -0.143 38.345 38.487 0.002 0.000 0.965 274 N HN 0.283 nan 8.380 nan 0.000 0.437 275 I N 0.431 120.940 120.570 -0.101 0.000 2.248 275 I HA -0.255 3.906 4.170 -0.015 0.000 0.248 275 I C 1.446 177.526 176.117 -0.062 0.000 1.107 275 I CA 1.303 62.514 61.300 -0.149 0.000 1.373 275 I CB -0.247 37.505 38.000 -0.414 0.000 1.055 275 I HN 0.138 nan 8.210 nan 0.000 0.418 276 S N -0.534 115.127 115.700 -0.065 0.000 2.582 276 S HA 0.177 4.638 4.470 -0.015 0.000 0.234 276 S C 1.509 176.243 174.600 0.224 0.000 0.961 276 S CA -0.510 57.736 58.200 0.076 0.000 0.953 276 S CB 0.243 63.472 63.200 0.048 0.000 0.800 276 S HN 0.218 nan 8.310 nan 0.000 0.471 277 R N 1.428 122.062 120.500 0.223 0.000 2.062 277 R HA 0.255 4.586 4.340 -0.015 0.000 0.229 277 R C 0.392 176.949 176.300 0.429 0.000 1.128 277 R CA 1.137 57.413 56.100 0.293 0.000 0.960 277 R CB -0.253 30.184 30.300 0.227 0.000 0.855 277 R HN 0.385 nan 8.270 nan 0.000 0.432 278 V N 0.417 120.544 119.914 0.356 0.000 2.851 278 V HA 0.351 4.462 4.120 -0.015 0.000 0.307 278 V C -1.586 174.485 176.094 -0.039 0.000 1.129 278 V CA -1.387 61.044 62.300 0.217 0.000 0.932 278 V CB 1.759 33.632 31.823 0.083 0.000 1.024 278 V HN 0.155 nan 8.190 nan 0.000 0.426 279 L N 7.063 128.025 121.223 -0.436 0.000 2.410 279 L HA 0.443 4.775 4.340 -0.015 0.000 0.273 279 L C -0.775 175.925 176.870 -0.285 0.000 1.144 279 L CA 0.468 54.837 54.840 -0.785 0.000 0.863 279 L CB 0.315 41.836 42.059 -0.897 0.000 1.140 279 L HN 0.680 nan 8.230 nan 0.000 0.463 280 Y N 7.211 127.419 120.300 -0.154 0.000 2.650 280 Y HA 0.153 4.695 4.550 -0.015 0.000 0.331 280 Y C -1.295 174.598 175.900 -0.012 0.000 1.165 280 Y CA -1.077 57.008 58.100 -0.025 0.000 1.473 280 Y CB 0.249 38.720 38.460 0.020 0.000 1.224 280 Y HN 0.583 nan 8.280 nan 0.000 0.533 281 P HA -0.002 nan 4.420 nan 0.000 0.253 281 P C -0.799 176.637 177.300 0.226 0.000 1.459 281 P CA 0.157 63.363 63.100 0.176 0.000 0.908 281 P CB 0.184 32.081 31.700 0.329 0.000 1.470 282 N N 1.630 120.475 118.700 0.242 0.000 2.406 282 N HA 0.086 4.817 4.740 -0.015 0.000 0.251 282 N C -0.517 175.139 175.510 0.243 0.000 1.069 282 N CA 0.239 53.453 53.050 0.273 0.000 0.947 282 N CB 0.728 39.409 38.487 0.323 0.000 1.111 282 N HN 0.110 nan 8.380 nan 0.000 0.497 283 D N 1.562 122.121 120.400 0.264 0.000 2.313 283 D HA 0.156 4.787 4.640 -0.015 0.000 0.239 283 D C 0.027 176.522 176.300 0.324 0.000 1.142 283 D CA -0.236 53.915 54.000 0.253 0.000 0.847 283 D CB 0.211 41.154 40.800 0.238 0.000 1.082 283 D HN 0.311 nan 8.370 nan 0.000 0.480 284 N N 2.739 121.607 118.700 0.280 0.000 2.754 284 N HA -0.248 4.483 4.740 -0.015 0.000 0.248 284 N C -1.304 174.434 175.510 0.379 0.000 1.093 284 N CA 0.659 53.872 53.050 0.273 0.000 0.699 284 N CB -0.935 37.686 38.487 0.223 0.000 1.016 284 N HN 0.377 nan 8.380 nan 0.000 0.552 285 F N 0.443 120.494 119.950 0.169 0.000 2.596 285 F HA 0.509 5.027 4.527 -0.015 0.000 0.311 285 F C -1.318 174.569 175.800 0.146 0.000 1.116 285 F CA -1.179 56.900 58.000 0.131 0.000 0.957 285 F CB 0.980 40.020 39.000 0.066 0.000 1.250 285 F HN -0.074 nan 8.300 nan 0.000 0.444 286 F N 5.495 124.983 119.950 -0.769 0.000 2.415 286 F HA 0.504 5.022 4.527 -0.015 0.000 0.348 286 F C -0.572 174.769 175.800 -0.765 0.000 1.119 286 F CA -0.346 57.283 58.000 -0.619 0.000 1.069 286 F CB 0.907 39.598 39.000 -0.515 0.000 1.124 286 F HN 0.551 nan 8.300 nan 0.000 0.472 287 E N 3.558 123.105 120.200 -1.090 0.000 2.155 287 E HA 0.335 4.676 4.350 -0.015 0.000 0.264 287 E C -0.055 175.754 176.600 -1.319 0.000 0.886 287 E CA -0.687 55.175 56.400 -0.897 0.000 0.752 287 E CB 1.308 30.853 29.700 -0.257 0.000 1.133 287 E HN 0.939 nan 8.360 nan 0.000 0.414 288 G N 4.891 112.925 108.800 -1.277 0.000 3.401 288 G HA2 0.013 3.964 3.960 -0.015 0.000 0.251 288 G HA3 0.013 3.964 3.960 -0.015 0.000 0.251 288 G C 0.056 174.880 174.900 -0.126 0.000 0.960 288 G CA -0.128 44.408 45.100 -0.940 0.000 1.900 288 G HN 0.158 nan 8.290 nan 0.000 0.645 289 K N 0.480 120.860 120.400 -0.033 0.000 2.156 289 K HA 0.185 4.497 4.320 -0.015 0.000 0.271 289 K C 0.952 177.695 176.600 0.238 0.000 0.995 289 K CA -0.628 55.733 56.287 0.124 0.000 0.890 289 K CB 2.242 34.800 32.500 0.097 0.000 1.073 289 K HN 0.417 nan 8.250 nan 0.000 0.454 290 E N 1.907 122.214 120.200 0.177 0.000 2.085 290 E HA -0.215 4.126 4.350 -0.015 0.000 0.194 290 E C 1.507 178.135 176.600 0.047 0.000 0.994 290 E CA 1.021 57.476 56.400 0.093 0.000 0.801 290 E CB 0.170 29.928 29.700 0.097 0.000 0.743 290 E HN 0.399 nan 8.360 nan 0.000 0.453 291 L N 1.408 122.701 121.223 0.116 0.000 2.042 291 L HA -0.200 4.131 4.340 -0.015 0.000 0.210 291 L C 2.497 179.457 176.870 0.150 0.000 1.076 291 L CA 1.891 56.817 54.840 0.144 0.000 0.749 291 L CB -0.601 41.611 42.059 0.256 0.000 0.893 291 L HN 0.030 nan 8.230 nan 0.000 0.432 292 R N -0.675 119.862 120.500 0.062 0.000 2.081 292 R HA -0.178 4.153 4.340 -0.015 0.000 0.235 292 R C 2.129 178.466 176.300 0.063 0.000 1.131 292 R CA 1.883 57.946 56.100 -0.062 0.000 0.960 292 R CB -1.048 29.006 30.300 -0.410 0.000 0.856 292 R HN 0.401 nan 8.270 nan 0.000 0.436 293 L N 0.965 122.130 121.223 -0.097 0.000 2.017 293 L HA -0.114 4.218 4.340 -0.015 0.000 0.208 293 L C 1.766 178.570 176.870 -0.110 0.000 1.073 293 L CA 1.958 56.529 54.840 -0.449 0.000 0.745 293 L CB -0.484 41.017 42.059 -0.929 0.000 0.894 293 L HN 0.170 nan 8.230 nan 0.000 0.432 294 K N -1.008 119.373 120.400 -0.031 0.000 2.063 294 K HA -0.223 4.088 4.320 -0.015 0.000 0.208 294 K C 2.098 178.861 176.600 0.271 0.000 1.048 294 K CA 1.876 58.215 56.287 0.087 0.000 0.928 294 K CB -0.207 32.171 32.500 -0.204 0.000 0.713 294 K HN 0.517 nan 8.250 nan 0.000 0.442 295 Q N 0.554 120.482 119.800 0.213 0.000 2.084 295 Q HA -0.185 4.146 4.340 -0.015 0.000 0.202 295 Q C 1.943 178.145 176.000 0.336 0.000 0.978 295 Q CA 1.434 57.421 55.803 0.306 0.000 0.844 295 Q CB 0.003 28.941 28.738 0.333 0.000 0.898 295 Q HN 0.390 nan 8.270 nan 0.000 0.426 296 E N -0.238 120.112 120.200 0.251 0.000 2.077 296 E HA -0.209 4.132 4.350 -0.015 0.000 0.193 296 E C 1.721 178.441 176.600 0.199 0.000 0.989 296 E CA 1.008 57.539 56.400 0.219 0.000 0.800 296 E CB -0.132 29.674 29.700 0.177 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.458 120.806 120.300 0.080 0.000 2.220 297 Y HA -0.207 4.334 4.550 -0.015 0.000 0.291 297 Y C 1.973 177.909 175.900 0.060 0.000 1.129 297 Y CA 1.043 59.148 58.100 0.008 0.000 1.161 297 Y CB -0.402 38.033 38.460 -0.042 0.000 0.997 297 Y HN 0.018 nan 8.280 nan 0.000 0.522 298 F N -0.319 119.627 119.950 -0.006 0.000 2.065 298 F HA -0.252 4.266 4.527 -0.015 0.000 0.298 298 F C 2.491 178.145 175.800 -0.243 0.000 1.112 298 F CA 2.072 60.015 58.000 -0.095 0.000 1.212 298 F CB -1.081 38.019 39.000 0.166 0.000 0.975 298 F HN -0.064 nan 8.300 nan 0.000 0.476 299 V N -0.392 119.476 119.914 -0.077 0.000 2.343 299 V HA -0.212 3.899 4.120 -0.015 0.000 0.247 299 V C 2.211 178.158 176.094 -0.244 0.000 1.051 299 V CA 2.003 64.229 62.300 -0.124 0.000 1.036 299 V CB -0.420 31.538 31.823 0.226 0.000 0.654 299 V HN 0.274 nan 8.190 nan 0.000 0.451 300 V N 0.368 120.153 119.914 -0.214 0.000 2.358 300 V HA -0.178 3.933 4.120 -0.015 0.000 0.246 300 V C 2.775 178.624 176.094 -0.408 0.000 1.047 300 V CA 2.152 64.314 62.300 -0.231 0.000 1.035 300 V CB -0.979 30.774 31.823 -0.115 0.000 0.658 300 V HN 0.655 nan 8.190 nan 0.000 0.452 301 A N -0.298 122.108 122.820 -0.690 0.000 1.872 301 A HA -0.016 4.295 4.320 -0.015 0.000 0.214 301 A C 2.399 179.615 177.584 -0.613 0.000 1.187 301 A CA 1.823 53.443 52.037 -0.696 0.000 0.614 301 A CB -0.755 17.606 19.000 -1.066 0.000 0.826 301 A HN 0.540 nan 8.150 nan 0.000 0.442 302 A N -0.855 121.436 122.820 -0.882 0.000 1.902 302 A HA -0.071 4.241 4.320 -0.015 0.000 0.217 302 A C 2.311 179.403 177.584 -0.820 0.000 1.181 302 A CA 2.307 53.639 52.037 -1.175 0.000 0.623 302 A CB -1.286 16.349 19.000 -2.276 0.000 0.818 302 A HN 0.423 nan 8.150 nan 0.000 0.443 303 T N 0.478 114.689 114.554 -0.571 0.000 2.674 303 T HA -0.107 4.235 4.350 -0.015 0.000 0.265 303 T C 1.848 176.290 174.700 -0.430 0.000 1.039 303 T CA 1.464 63.344 62.100 -0.366 0.000 1.150 303 T CB -0.418 68.236 68.868 -0.357 0.000 0.864 303 T HN 0.335 nan 8.240 nan 0.000 0.427 304 L N 0.689 121.706 121.223 -0.344 0.000 2.042 304 L HA -0.193 4.138 4.340 -0.015 0.000 0.210 304 L C 2.968 179.732 176.870 -0.177 0.000 1.076 304 L CA 1.483 56.173 54.840 -0.249 0.000 0.749 304 L CB -0.511 41.441 42.059 -0.177 0.000 0.893 304 L HN 0.363 nan 8.230 nan 0.000 0.432 305 Q N -0.577 119.117 119.800 -0.177 0.000 2.096 305 Q HA -0.263 4.068 4.340 -0.015 0.000 0.204 305 Q C 1.833 177.815 176.000 -0.030 0.000 0.982 305 Q CA 1.871 57.621 55.803 -0.088 0.000 0.850 305 Q CB -0.099 28.570 28.738 -0.114 0.000 0.901 305 Q HN 0.414 nan 8.270 nan 0.000 0.422 306 D N 0.378 120.753 120.400 -0.042 0.000 2.097 306 D HA -0.125 4.506 4.640 -0.015 0.000 0.195 306 D C 1.679 177.938 176.300 -0.069 0.000 0.989 306 D CA 0.931 54.956 54.000 0.041 0.000 0.827 306 D CB -0.079 40.839 40.800 0.196 0.000 0.966 306 D HN 0.166 nan 8.370 nan 0.000 0.456 307 I N 0.122 120.533 120.570 -0.265 0.000 2.163 307 I HA -0.265 3.896 4.170 -0.015 0.000 0.243 307 I C 2.316 178.437 176.117 0.007 0.000 1.085 307 I CA 0.840 61.920 61.300 -0.367 0.000 1.347 307 I CB -0.169 37.463 38.000 -0.613 0.000 1.044 307 I HN 0.049 nan 8.210 nan 0.000 0.408 308 I N 0.207 120.847 120.570 0.116 0.000 2.252 308 I HA -0.285 3.877 4.170 -0.015 0.000 0.245 308 I C 2.751 179.033 176.117 0.275 0.000 1.102 308 I CA 1.130 62.616 61.300 0.310 0.000 1.385 308 I CB -0.374 37.775 38.000 0.248 0.000 1.064 308 I HN 0.178 nan 8.210 nan 0.000 0.414 309 R N 1.186 121.785 120.500 0.164 0.000 2.080 309 R HA -0.232 4.099 4.340 -0.015 0.000 0.236 309 R C 2.502 178.888 176.300 0.144 0.000 1.137 309 R CA 1.829 58.016 56.100 0.146 0.000 0.943 309 R CB -0.298 30.083 30.300 0.134 0.000 0.846 309 R HN 0.178 nan 8.270 nan 0.000 0.431 310 R N -0.684 119.898 120.500 0.136 0.000 2.096 310 R HA -0.167 4.164 4.340 -0.015 0.000 0.235 310 R C 2.179 178.568 176.300 0.148 0.000 1.127 310 R CA 1.722 57.903 56.100 0.134 0.000 0.968 310 R CB -0.392 29.973 30.300 0.108 0.000 0.861 310 R HN 0.321 nan 8.270 nan 0.000 0.440 311 F N 1.495 121.468 119.950 0.039 0.000 2.134 311 F HA -0.151 4.367 4.527 -0.015 0.000 0.299 311 F C 1.718 177.509 175.800 -0.015 0.000 1.097 311 F CA 1.634 59.639 58.000 0.007 0.000 1.264 311 F CB 0.012 39.044 39.000 0.054 0.000 1.001 311 F HN -0.123 nan 8.300 nan 0.000 0.479 312 K N -0.328 120.017 120.400 -0.090 0.000 2.155 312 K HA -0.021 4.290 4.320 -0.015 0.000 0.203 312 K C 1.445 177.949 176.600 -0.160 0.000 1.052 312 K CA 1.256 57.419 56.287 -0.207 0.000 0.948 312 K CB -0.256 32.239 32.500 -0.010 0.000 0.728 312 K HN 0.088 nan 8.250 nan 0.000 0.448 313 S N 1.423 117.096 115.700 -0.044 0.000 2.871 313 S HA 0.110 4.572 4.470 -0.015 0.000 0.254 313 S C 0.079 174.679 174.600 -0.001 0.000 1.088 313 S CA -0.291 57.923 58.200 0.023 0.000 1.166 313 S CB 0.085 63.356 63.200 0.118 0.000 0.826 313 S HN 0.121 nan 8.310 nan 0.000 0.471 325 N N 0.987 119.674 118.700 -0.021 0.000 2.807 325 N HA 0.240 4.971 4.740 -0.015 0.000 0.259 325 N C -0.221 175.382 175.510 0.156 0.000 1.149 325 N CA -0.106 52.990 53.050 0.077 0.000 1.042 325 N CB -0.050 38.467 38.487 0.050 0.000 1.367 325 N HN 0.134 nan 8.380 nan 0.000 0.516 326 F N 1.166 121.238 119.950 0.203 0.000 2.771 326 F HA 0.005 4.523 4.527 -0.015 0.000 0.299 326 F C 1.287 177.148 175.800 0.103 0.000 1.177 326 F CA 0.459 58.547 58.000 0.146 0.000 1.450 326 F CB 0.231 39.216 39.000 -0.026 0.000 1.114 326 F HN 0.440 nan 8.300 nan 0.000 0.587 327 D N -0.000 120.542 120.400 0.238 0.000 2.219 327 D HA -0.133 4.498 4.640 -0.015 0.000 0.205 327 D C 2.145 178.538 176.300 0.154 0.000 0.970 327 D CA 1.140 55.235 54.000 0.158 0.000 0.851 327 D CB -0.133 40.735 40.800 0.114 0.000 0.943 327 D HN 0.237 nan 8.370 nan 0.000 0.488 328 A N -0.526 122.415 122.820 0.203 0.000 2.218 328 A HA 0.090 4.401 4.320 -0.015 0.000 0.209 328 A C 1.549 179.253 177.584 0.201 0.000 1.168 328 A CA -0.237 51.919 52.037 0.199 0.000 0.804 328 A CB -0.721 18.407 19.000 0.215 0.000 0.834 328 A HN 0.198 nan 8.150 nan 0.000 0.482 329 F N 2.041 121.946 119.950 -0.075 0.000 2.065 329 F HA -0.145 4.373 4.527 -0.014 0.000 0.298 329 F C -0.783 174.909 175.800 -0.180 0.000 1.112 329 F CA 2.594 60.330 58.000 -0.439 0.000 1.212 329 F CB -0.738 38.013 39.000 -0.415 0.000 0.975 329 F HN 0.195 nan 8.300 nan 0.000 0.476 330 P HA -0.094 nan 4.420 nan 0.000 0.223 330 P C 0.803 178.075 177.300 -0.047 0.000 1.151 330 P CA 1.512 64.603 63.100 -0.014 0.000 0.787 330 P CB -0.102 31.608 31.700 0.017 0.000 0.788 331 D N -0.648 119.743 120.400 -0.016 0.000 2.317 331 D HA -0.053 4.578 4.640 -0.015 0.000 0.211 331 D C 1.479 177.770 176.300 -0.016 0.000 0.966 331 D CA 0.934 54.932 54.000 -0.003 0.000 0.876 331 D CB 0.090 40.906 40.800 0.026 0.000 0.927 331 D HN 0.169 nan 8.370 nan 0.000 0.519 332 K N 0.020 120.390 120.400 -0.051 0.000 2.412 332 K HA 0.205 4.516 4.320 -0.015 0.000 0.202 332 K C -0.052 176.465 176.600 -0.138 0.000 1.102 332 K CA 0.082 56.346 56.287 -0.038 0.000 1.027 332 K CB 2.304 34.881 32.500 0.129 0.000 0.931 332 K HN -0.060 nan 8.250 nan 0.000 0.557 333 V N 1.064 120.813 119.914 -0.274 0.000 2.686 333 V HA 0.611 4.722 4.120 -0.015 0.000 0.306 333 V C -1.041 174.972 176.094 -0.135 0.000 1.065 333 V CA -1.287 60.842 62.300 -0.284 0.000 0.894 333 V CB 1.796 33.125 31.823 -0.823 0.000 1.004 333 V HN 0.108 nan 8.190 nan 0.000 0.424 334 A N 5.685 128.471 122.820 -0.056 0.000 2.343 334 A HA 0.924 5.235 4.320 -0.015 0.000 0.316 334 A C -0.926 176.685 177.584 0.044 0.000 1.104 334 A CA -0.489 51.547 52.037 -0.002 0.000 0.768 334 A CB 0.939 19.886 19.000 -0.089 0.000 1.213 334 A HN 0.777 nan 8.150 nan 0.000 0.456 335 I N 1.845 122.486 120.570 0.118 0.000 2.355 335 I HA 0.299 4.460 4.170 -0.015 0.000 0.288 335 I C -0.199 176.007 176.117 0.148 0.000 0.999 335 I CA -0.493 60.886 61.300 0.132 0.000 1.163 335 I CB 1.861 39.924 38.000 0.105 0.000 1.316 335 I HN 0.700 nan 8.210 nan 0.000 0.454 336 Q N 6.689 126.570 119.800 0.136 0.000 2.314 336 Q HA 0.512 4.843 4.340 -0.015 0.000 0.259 336 Q C -1.319 174.676 176.000 -0.008 0.000 0.951 336 Q CA -0.252 55.655 55.803 0.174 0.000 0.909 336 Q CB 1.307 30.256 28.738 0.352 0.000 1.236 336 Q HN 0.573 nan 8.270 nan 0.000 0.444 337 L N 3.843 125.103 121.223 0.061 0.000 2.257 337 L HA 0.394 4.725 4.340 -0.015 0.000 0.290 337 L C 0.000 176.898 176.870 0.047 0.000 1.044 337 L CA -0.742 54.127 54.840 0.048 0.000 0.810 337 L CB 0.744 42.881 42.059 0.130 0.000 1.193 337 L HN 0.578 nan 8.230 nan 0.000 0.425 338 N N 3.553 122.206 118.700 -0.079 0.000 2.508 338 N HA 0.107 4.838 4.740 -0.015 0.000 0.253 338 N C -0.214 175.308 175.510 0.020 0.000 1.145 338 N CA 0.399 53.450 53.050 0.002 0.000 0.973 338 N CB -0.051 38.352 38.487 -0.140 0.000 1.305 338 N HN 0.696 nan 8.380 nan 0.000 0.506 339 D N -0.416 120.102 120.400 0.195 0.000 4.160 339 D HA -0.253 4.378 4.640 -0.015 0.000 0.291 339 D C 0.411 176.800 176.300 0.149 0.000 2.226 339 D CA 1.952 56.049 54.000 0.161 0.000 1.157 339 D CB -0.383 40.269 40.800 -0.248 0.000 1.020 339 D HN 0.506 nan 8.370 nan 0.000 1.219 340 T N -3.083 111.491 114.554 0.032 0.000 3.148 340 T HA 0.074 4.415 4.350 -0.015 0.000 0.253 340 T C 1.437 176.200 174.700 0.104 0.000 1.134 340 T CA 1.478 63.579 62.100 0.002 0.000 1.051 340 T CB -0.504 68.339 68.868 -0.042 0.000 0.959 340 T HN 0.520 nan 8.240 nan 0.000 0.525 341 H N 2.604 121.764 119.070 0.149 0.000 2.387 341 H HA -0.003 4.544 4.556 -0.015 0.000 0.299 341 H C -0.844 174.575 175.328 0.151 0.000 1.099 341 H CA 0.995 57.146 56.048 0.172 0.000 1.315 341 H CB -0.882 28.984 29.762 0.173 0.000 1.380 341 H HN 0.443 nan 8.280 nan 0.000 0.513 342 P HA 0.087 nan 4.420 nan 0.000 0.266 342 P C 0.750 178.094 177.300 0.074 0.000 1.561 342 P CA 0.341 63.522 63.100 0.135 0.000 1.089 342 P CB 0.401 32.169 31.700 0.114 0.000 1.534 343 S N -0.170 115.564 115.700 0.058 0.000 2.440 343 S HA -0.141 4.321 4.470 -0.015 0.000 0.238 343 S C 1.762 176.361 174.600 -0.001 0.000 1.010 343 S CA 0.823 59.017 58.200 -0.010 0.000 0.972 343 S CB -1.504 61.663 63.200 -0.054 0.000 0.774 343 S HN 0.146 nan 8.310 nan 0.000 0.501 344 L N 1.028 122.266 121.223 0.024 0.000 2.450 344 L HA -0.009 4.322 4.340 -0.015 0.000 0.224 344 L C 2.980 179.878 176.870 0.046 0.000 1.149 344 L CA 0.643 55.495 54.840 0.020 0.000 0.816 344 L CB -0.822 41.242 42.059 0.009 0.000 0.932 344 L HN 0.473 nan 8.230 nan 0.000 0.449 345 A N 0.701 123.535 122.820 0.024 0.000 1.948 345 A HA -0.242 4.070 4.320 -0.015 0.000 0.220 345 A C 2.183 179.763 177.584 -0.006 0.000 1.177 345 A CA 1.801 53.839 52.037 0.001 0.000 0.636 345 A CB -0.561 18.434 19.000 -0.009 0.000 0.815 345 A HN 0.391 nan 8.150 nan 0.000 0.449 346 I N 0.110 120.676 120.570 -0.007 0.000 2.133 346 I HA -0.142 4.019 4.170 -0.015 0.000 0.238 346 I C -0.414 175.710 176.117 0.012 0.000 1.074 346 I CA 1.548 62.837 61.300 -0.017 0.000 1.342 346 I CB -0.930 37.060 38.000 -0.016 0.000 1.053 346 I HN 0.256 nan 8.210 nan 0.000 0.404 347 P HA -0.138 nan 4.420 nan 0.000 0.225 347 P C 1.242 178.572 177.300 0.050 0.000 1.156 347 P CA 1.330 64.464 63.100 0.056 0.000 0.787 347 P CB 0.073 31.827 31.700 0.091 0.000 0.802 348 E N 0.366 120.652 120.200 0.143 0.000 2.072 348 E HA -0.150 4.191 4.350 -0.015 0.000 0.191 348 E C 1.924 178.509 176.600 -0.025 0.000 0.985 348 E CA 0.679 57.175 56.400 0.160 0.000 0.801 348 E CB -1.195 28.650 29.700 0.243 0.000 0.750 348 E HN -0.049 nan 8.360 nan 0.000 0.452 349 L N 0.091 121.267 121.223 -0.079 0.000 2.042 349 L HA -0.142 4.189 4.340 -0.015 0.000 0.210 349 L C 2.126 178.846 176.870 -0.250 0.000 1.076 349 L CA 1.825 56.554 54.840 -0.185 0.000 0.749 349 L CB -0.611 41.333 42.059 -0.192 0.000 0.893 349 L HN 0.273 nan 8.230 nan 0.000 0.432 350 M N -1.004 118.464 119.600 -0.219 0.000 2.086 350 M HA -0.218 4.254 4.480 -0.015 0.000 0.261 350 M C 2.411 178.541 176.300 -0.284 0.000 1.067 350 M CA 1.521 56.638 55.300 -0.306 0.000 1.116 350 M CB -1.205 31.201 32.600 -0.325 0.000 1.348 350 M HN 0.318 nan 8.290 nan 0.000 0.407 351 R N 0.098 120.464 120.500 -0.224 0.000 2.094 351 R HA -0.155 4.176 4.340 -0.015 0.000 0.239 351 R C 2.083 178.277 176.300 -0.177 0.000 1.137 351 R CA 1.938 57.908 56.100 -0.215 0.000 0.943 351 R CB -0.290 29.835 30.300 -0.291 0.000 0.850 351 R HN 0.214 nan 8.270 nan 0.000 0.433 352 V N 1.420 121.231 119.914 -0.173 0.000 2.295 352 V HA -0.260 3.851 4.120 -0.015 0.000 0.246 352 V C 2.400 178.331 176.094 -0.271 0.000 1.049 352 V CA 1.799 63.990 62.300 -0.181 0.000 1.024 352 V CB -0.418 31.302 31.823 -0.172 0.000 0.648 352 V HN 0.352 nan 8.190 nan 0.000 0.447 353 L N -0.767 120.231 121.223 -0.374 0.000 2.093 353 L HA -0.110 4.221 4.340 -0.015 0.000 0.208 353 L C 2.348 179.031 176.870 -0.313 0.000 1.085 353 L CA 0.961 55.513 54.840 -0.480 0.000 0.755 353 L CB -0.545 41.175 42.059 -0.564 0.000 0.904 353 L HN 0.202 nan 8.230 nan 0.000 0.435 354 V N -0.587 119.187 119.914 -0.234 0.000 2.300 354 V HA -0.163 3.948 4.120 -0.015 0.000 0.241 354 V C 1.945 177.992 176.094 -0.079 0.000 1.034 354 V CA 1.622 63.847 62.300 -0.125 0.000 1.021 354 V CB -0.308 31.476 31.823 -0.066 0.000 0.662 354 V HN 0.327 nan 8.190 nan 0.000 0.458 355 D N -0.001 120.348 120.400 -0.085 0.000 2.149 355 D HA -0.029 4.603 4.640 -0.015 0.000 0.201 355 D C 1.991 178.259 176.300 -0.053 0.000 0.972 355 D CA 1.216 55.182 54.000 -0.057 0.000 0.835 355 D CB 0.073 40.837 40.800 -0.060 0.000 0.966 355 D HN 0.330 nan 8.370 nan 0.000 0.476 356 L N 0.066 121.244 121.223 -0.075 0.000 2.362 356 L HA 0.124 4.455 4.340 -0.015 0.000 0.204 356 L C 1.869 178.709 176.870 -0.049 0.000 1.060 356 L CA 0.441 55.248 54.840 -0.054 0.000 0.827 356 L CB 0.150 42.178 42.059 -0.051 0.000 1.027 356 L HN -0.192 nan 8.230 nan 0.000 0.474 357 E N 0.415 120.554 120.200 -0.102 0.000 2.447 357 E HA 0.043 4.385 4.350 -0.015 0.000 0.195 357 E C 0.105 176.670 176.600 -0.059 0.000 1.028 357 E CA -0.024 56.323 56.400 -0.087 0.000 0.876 357 E CB 0.392 29.931 29.700 -0.268 0.000 0.885 357 E HN 0.206 nan 8.360 nan 0.000 0.500 358 R N -0.199 120.260 120.500 -0.068 0.000 3.656 358 R HA -0.186 4.145 4.340 -0.015 0.000 0.297 358 R C -0.270 176.014 176.300 -0.028 0.000 1.166 358 R CA 0.256 56.337 56.100 -0.031 0.000 0.799 358 R CB -2.896 27.404 30.300 0.000 0.000 1.285 358 R HN 0.072 nan 8.270 nan 0.000 0.477 359 L N 2.397 123.574 121.223 -0.077 0.000 2.452 359 L HA 0.115 4.446 4.340 -0.015 0.000 0.267 359 L C 1.534 178.394 176.870 -0.016 0.000 1.188 359 L CA 0.272 55.077 54.840 -0.058 0.000 0.821 359 L CB 0.323 42.299 42.059 -0.139 0.000 1.102 359 L HN 0.154 nan 8.230 nan 0.000 0.470 360 D N 0.786 121.202 120.400 0.026 0.000 2.362 360 D HA -0.138 4.493 4.640 -0.015 0.000 0.242 360 D C 0.977 177.345 176.300 0.112 0.000 1.132 360 D CA -0.525 53.525 54.000 0.084 0.000 0.907 360 D CB 0.706 41.561 40.800 0.091 0.000 1.195 360 D HN 0.616 nan 8.370 nan 0.000 0.429 361 W N 2.137 123.438 121.300 0.003 0.000 2.302 361 W HA -0.243 4.408 4.660 -0.015 0.000 0.320 361 W C 1.047 177.610 176.519 0.073 0.000 1.241 361 W CA 1.945 59.299 57.345 0.015 0.000 1.264 361 W CB -0.270 29.181 29.460 -0.015 0.000 1.154 361 W HN 0.472 nan 8.180 nan 0.000 0.483 362 D N 0.173 120.769 120.400 0.325 0.000 2.144 362 D HA -0.181 4.450 4.640 -0.015 0.000 0.199 362 D C 1.889 178.295 176.300 0.178 0.000 0.984 362 D CA 1.790 55.961 54.000 0.285 0.000 0.834 362 D CB -0.295 40.643 40.800 0.230 0.000 0.955 362 D HN 0.117 nan 8.370 nan 0.000 0.465 363 K N 1.161 121.618 120.400 0.095 0.000 2.076 363 K HA 0.060 4.371 4.320 -0.015 0.000 0.204 363 K C 1.861 178.445 176.600 -0.028 0.000 1.051 363 K CA 1.274 57.587 56.287 0.044 0.000 0.949 363 K CB -0.456 32.066 32.500 0.036 0.000 0.726 363 K HN -0.036 nan 8.250 nan 0.000 0.443 364 A N 0.916 123.675 122.820 -0.101 0.000 1.917 364 A HA -0.210 4.101 4.320 -0.015 0.000 0.219 364 A C 2.236 179.706 177.584 -0.190 0.000 1.182 364 A CA 1.630 53.532 52.037 -0.224 0.000 0.633 364 A CB -1.287 17.516 19.000 -0.329 0.000 0.819 364 A HN 0.712 nan 8.150 nan 0.000 0.448 365 W N 0.619 121.702 121.300 -0.362 0.000 2.358 365 W HA -0.183 4.468 4.660 -0.014 0.000 0.303 365 W C 1.997 178.450 176.519 -0.110 0.000 1.208 365 W CA 1.892 59.074 57.345 -0.271 0.000 1.274 365 W CB -0.165 29.174 29.460 -0.201 0.000 1.138 365 W HN 0.631 nan 8.180 nan 0.000 0.515 366 E N 0.165 120.344 120.200 -0.036 0.000 2.058 366 E HA -0.234 4.108 4.350 -0.015 0.000 0.194 366 E C 2.065 178.576 176.600 -0.148 0.000 0.997 366 E CA 2.118 58.465 56.400 -0.088 0.000 0.801 366 E CB -0.396 29.316 29.700 0.020 0.000 0.746 366 E HN 0.040 nan 8.360 nan 0.000 0.450 367 V N 0.799 120.639 119.914 -0.123 0.000 2.287 367 V HA -0.291 3.821 4.120 -0.015 0.000 0.248 367 V C 2.408 178.416 176.094 -0.143 0.000 1.053 367 V CA 2.250 64.490 62.300 -0.100 0.000 1.027 367 V CB -0.832 30.918 31.823 -0.123 0.000 0.646 367 V HN 0.417 nan 8.190 nan 0.000 0.447 368 T N -0.008 114.383 114.554 -0.272 0.000 2.652 368 T HA -0.185 4.156 4.350 -0.015 0.000 0.267 368 T C 1.949 176.460 174.700 -0.316 0.000 1.039 368 T CA 1.812 63.726 62.100 -0.310 0.000 1.153 368 T CB -0.325 68.292 68.868 -0.420 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.501 121.110 119.914 -0.509 0.000 2.287 369 V HA -0.212 3.899 4.120 -0.015 0.000 0.248 369 V C 2.372 178.428 176.094 -0.064 0.000 1.053 369 V CA 1.739 63.812 62.300 -0.377 0.000 1.027 369 V CB -0.522 31.008 31.823 -0.489 0.000 0.646 369 V HN 0.476 nan 8.190 nan 0.000 0.447 370 K N -0.490 119.852 120.400 -0.096 0.000 2.283 370 K HA -0.094 4.217 4.320 -0.015 0.000 0.202 370 K C 2.099 178.682 176.600 -0.029 0.000 1.048 370 K CA 1.562 57.776 56.287 -0.121 0.000 0.948 370 K CB -0.248 32.177 32.500 -0.124 0.000 0.742 370 K HN 0.495 nan 8.250 nan 0.000 0.458 371 T N 0.244 114.837 114.554 0.065 0.000 2.894 371 T HA -0.001 4.341 4.350 -0.015 0.000 0.258 371 T C 0.961 175.781 174.700 0.199 0.000 1.043 371 T CA 0.481 62.663 62.100 0.137 0.000 1.141 371 T CB 0.060 69.049 68.868 0.202 0.000 0.873 371 T HN 0.170 nan 8.240 nan 0.000 0.449 372 C N 2.185 121.581 119.300 0.160 0.000 2.365 372 C HA 0.887 5.339 4.460 -0.015 0.000 0.351 372 C C 0.552 175.589 174.990 0.080 0.000 1.240 372 C CA -1.266 57.818 59.018 0.111 0.000 2.062 372 C CB 0.230 27.975 27.740 0.008 0.000 2.387 372 C HN 0.596 nan 8.230 nan 0.000 0.537 373 A N 1.909 124.773 122.820 0.074 0.000 2.475 373 A HA 0.768 5.079 4.320 -0.015 0.000 0.301 373 A C -1.640 176.013 177.584 0.116 0.000 1.059 373 A CA -0.374 51.657 52.037 -0.010 0.000 0.710 373 A CB 1.139 20.132 19.000 -0.012 0.000 1.288 373 A HN 0.911 nan 8.150 nan 0.000 0.408 374 Y N 0.948 121.195 120.300 -0.088 0.000 2.376 374 Y HA 0.676 5.218 4.550 -0.014 0.000 0.340 374 Y C -0.579 175.302 175.900 -0.032 0.000 0.965 374 Y CA -0.569 57.492 58.100 -0.065 0.000 1.078 374 Y CB 2.039 40.416 38.460 -0.137 0.000 1.193 374 Y HN 0.542 nan 8.280 nan 0.000 0.452 375 T N 7.049 121.398 114.554 -0.341 0.000 2.770 375 T HA 0.228 4.569 4.350 -0.015 0.000 0.283 375 T C -0.674 173.582 174.700 -0.740 0.000 0.988 375 T CA -0.796 61.040 62.100 -0.440 0.000 0.957 375 T CB 0.262 69.108 68.868 -0.037 0.000 0.930 375 T HN 0.678 nan 8.240 nan 0.000 0.443 376 N N 1.920 120.155 118.700 -0.775 0.000 2.479 376 N HA 0.116 4.848 4.740 -0.015 0.000 0.285 376 N C 0.026 175.420 175.510 -0.195 0.000 1.075 376 N CA -0.274 52.567 53.050 -0.348 0.000 0.967 376 N CB 0.719 39.169 38.487 -0.061 0.000 1.137 376 N HN 0.679 nan 8.380 nan 0.000 0.472 377 H N 1.048 120.158 119.070 0.066 0.000 2.923 377 H HA 0.170 4.718 4.556 -0.015 0.000 0.268 377 H C -0.260 175.006 175.328 -0.102 0.000 1.148 377 H CA -0.087 55.949 56.048 -0.020 0.000 1.146 377 H CB 1.095 30.850 29.762 -0.010 0.000 1.607 377 H HN 0.501 nan 8.280 nan 0.000 0.566 378 T N 0.444 115.045 114.554 0.078 0.000 2.886 378 T HA 0.212 4.553 4.350 -0.015 0.000 0.330 378 T C 0.403 175.142 174.700 0.066 0.000 1.488 378 T CA -0.438 61.660 62.100 -0.003 0.000 1.054 378 T CB 1.398 70.263 68.868 -0.004 0.000 1.348 378 T HN -0.016 nan 8.240 nan 0.000 0.489 379 V N 2.061 121.970 119.914 -0.008 0.000 3.528 379 V HA 0.556 4.667 4.120 -0.015 0.000 0.294 379 V C 0.587 176.646 176.094 -0.059 0.000 1.404 379 V CA -0.034 62.244 62.300 -0.036 0.000 1.065 379 V CB -0.385 31.418 31.823 -0.034 0.000 0.904 379 V HN 0.694 nan 8.190 nan 0.000 0.435 380 L N 3.184 124.366 121.223 -0.068 0.000 2.500 380 L HA 0.239 4.570 4.340 -0.015 0.000 0.272 380 L C -0.614 176.261 176.870 0.009 0.000 1.149 380 L CA -1.124 53.702 54.840 -0.024 0.000 0.897 380 L CB 0.874 42.911 42.059 -0.036 0.000 1.178 380 L HN 0.128 nan 8.230 nan 0.000 0.473 381 P HA -0.228 nan 4.420 nan 0.000 0.216 381 P C 1.015 178.320 177.300 0.007 0.000 1.150 381 P CA 1.274 64.375 63.100 0.002 0.000 0.843 381 P CB 0.049 31.755 31.700 0.009 0.000 0.787 382 E N 0.346 120.582 120.200 0.060 0.000 2.409 382 E HA -0.062 4.279 4.350 -0.015 0.000 0.198 382 E C 1.521 178.116 176.600 -0.009 0.000 1.024 382 E CA 1.098 57.531 56.400 0.055 0.000 0.861 382 E CB -0.721 29.112 29.700 0.221 0.000 0.788 382 E HN 0.208 nan 8.360 nan 0.000 0.521 383 A N 1.109 123.951 122.820 0.037 0.000 2.267 383 A HA 0.258 4.569 4.320 -0.015 0.000 0.213 383 A C 1.215 178.791 177.584 -0.013 0.000 1.192 383 A CA -0.351 51.717 52.037 0.052 0.000 0.851 383 A CB -0.002 19.056 19.000 0.098 0.000 0.881 383 A HN 0.148 nan 8.150 nan 0.000 0.494 384 L N 1.574 122.743 121.223 -0.091 0.000 2.367 384 L HA 0.162 4.493 4.340 -0.015 0.000 0.275 384 L C -0.114 176.430 176.870 -0.544 0.000 1.129 384 L CA -0.220 54.506 54.840 -0.190 0.000 0.839 384 L CB 0.705 42.687 42.059 -0.129 0.000 1.133 384 L HN 0.332 nan 8.230 nan 0.000 0.453 385 E N 4.337 124.110 120.200 -0.711 0.000 2.257 385 E HA 0.190 4.531 4.350 -0.015 0.000 0.278 385 E C -0.577 175.345 176.600 -1.129 0.000 1.049 385 E CA -0.083 55.399 56.400 -1.530 0.000 0.876 385 E CB 0.667 29.857 29.700 -0.850 0.000 1.035 385 E HN 0.406 nan 8.360 nan 0.000 0.419 386 R N 3.781 123.477 120.500 -1.339 0.000 2.472 386 R HA 0.186 4.517 4.340 -0.015 0.000 0.294 386 R C -1.247 174.873 176.300 -0.301 0.000 1.243 386 R CA -0.561 55.223 56.100 -0.526 0.000 1.023 386 R CB 0.787 30.916 30.300 -0.285 0.000 1.157 386 R HN 0.456 nan 8.270 nan 0.000 0.530 387 W N 4.396 125.647 121.300 -0.081 0.000 2.311 387 W HA 0.250 4.901 4.660 -0.015 0.000 0.310 387 W C -1.880 174.614 176.519 -0.042 0.000 1.274 387 W CA -2.069 55.291 57.345 0.025 0.000 1.215 387 W CB 0.639 30.093 29.460 -0.009 0.000 1.227 387 W HN 0.244 nan 8.180 nan 0.000 0.523 388 P HA -0.111 nan 4.420 nan 0.000 0.262 388 P C 0.835 178.068 177.300 -0.111 0.000 1.182 388 P CA 0.274 63.339 63.100 -0.059 0.000 0.761 388 P CB 0.715 32.212 31.700 -0.338 0.000 0.795 389 V N 3.345 123.238 119.914 -0.035 0.000 2.332 389 V HA -0.292 3.819 4.120 -0.015 0.000 0.248 389 V C 2.145 178.241 176.094 0.003 0.000 1.055 389 V CA 2.587 64.896 62.300 0.014 0.000 1.038 389 V CB -1.658 30.238 31.823 0.121 0.000 0.651 389 V HN 0.769 nan 8.190 nan 0.000 0.450 390 H N -1.050 118.080 119.070 0.101 0.000 2.456 390 H HA -0.109 4.438 4.556 -0.015 0.000 0.296 390 H C 2.014 177.393 175.328 0.085 0.000 1.079 390 H CA 1.728 57.830 56.048 0.090 0.000 1.322 390 H CB -0.652 29.164 29.762 0.089 0.000 1.388 390 H HN 0.362 nan 8.280 nan 0.000 0.538 391 L N -0.129 120.990 121.223 -0.174 0.000 2.005 391 L HA -0.108 4.223 4.340 -0.015 0.000 0.207 391 L C 2.409 179.249 176.870 -0.050 0.000 1.072 391 L CA 1.141 55.964 54.840 -0.029 0.000 0.744 391 L CB -0.289 41.741 42.059 -0.049 0.000 0.895 391 L HN 0.300 nan 8.230 nan 0.000 0.433 392 L N -0.590 120.573 121.223 -0.100 0.000 2.083 392 L HA -0.240 4.092 4.340 -0.015 0.000 0.209 392 L C 2.482 179.294 176.870 -0.097 0.000 1.083 392 L CA 1.153 55.904 54.840 -0.149 0.000 0.752 392 L CB -0.389 41.567 42.059 -0.171 0.000 0.899 392 L HN 0.294 nan 8.230 nan 0.000 0.433 393 E N -0.523 119.663 120.200 -0.024 0.000 2.058 393 E HA -0.219 4.122 4.350 -0.015 0.000 0.194 393 E C 1.981 178.621 176.600 0.066 0.000 0.997 393 E CA 1.987 58.402 56.400 0.026 0.000 0.801 393 E CB 0.103 29.857 29.700 0.090 0.000 0.746 393 E HN 0.440 nan 8.360 nan 0.000 0.450 394 T N 0.798 115.418 114.554 0.111 0.000 2.770 394 T HA -0.108 4.233 4.350 -0.015 0.000 0.263 394 T C 1.780 176.600 174.700 0.200 0.000 1.039 394 T CA 0.863 63.081 62.100 0.197 0.000 1.142 394 T CB -0.169 68.848 68.868 0.249 0.000 0.868 394 T HN 0.067 nan 8.240 nan 0.000 0.435 395 L N -0.086 121.158 121.223 0.035 0.000 2.095 395 L HA 0.328 4.659 4.340 -0.015 0.000 0.204 395 L C 0.521 177.340 176.870 -0.083 0.000 1.080 395 L CA 1.600 56.352 54.840 -0.147 0.000 0.759 395 L CB 0.031 41.960 42.059 -0.216 0.000 0.914 395 L HN 0.178 nan 8.230 nan 0.000 0.439 396 L N 0.638 121.763 121.223 -0.162 0.000 2.625 396 L HA 0.284 4.615 4.340 -0.015 0.000 0.255 396 L C -1.685 174.999 176.870 -0.310 0.000 1.493 396 L CA -0.967 53.685 54.840 -0.314 0.000 0.796 396 L CB 0.825 42.555 42.059 -0.549 0.000 1.064 396 L HN -0.029 nan 8.230 nan 0.000 0.516 397 P HA -0.212 nan 4.420 nan 0.000 0.216 397 P C 1.483 178.584 177.300 -0.331 0.000 1.150 397 P CA 1.254 64.228 63.100 -0.210 0.000 0.837 397 P CB 0.351 32.002 31.700 -0.082 0.000 0.786 398 R N -0.373 119.746 120.500 -0.635 0.000 2.073 398 R HA -0.139 4.192 4.340 -0.015 0.000 0.229 398 R C 2.373 178.361 176.300 -0.520 0.000 1.120 398 R CA 1.526 57.261 56.100 -0.609 0.000 0.967 398 R CB -1.333 28.457 30.300 -0.849 0.000 0.862 398 R HN 0.213 nan 8.270 nan 0.000 0.436 399 H N -0.010 118.746 119.070 -0.524 0.000 2.352 399 H HA -0.111 4.437 4.556 -0.015 0.000 0.299 399 H C 1.857 177.008 175.328 -0.295 0.000 1.097 399 H CA 1.793 57.618 56.048 -0.373 0.000 1.311 399 H CB -0.197 29.308 29.762 -0.427 0.000 1.377 399 H HN 0.104 nan 8.280 nan 0.000 0.504 400 L N 0.565 121.655 121.223 -0.222 0.000 2.012 400 L HA -0.277 4.054 4.340 -0.015 0.000 0.210 400 L C 2.009 178.658 176.870 -0.369 0.000 1.073 400 L CA 1.683 56.312 54.840 -0.352 0.000 0.748 400 L CB -0.352 41.507 42.059 -0.332 0.000 0.891 400 L HN 0.460 nan 8.230 nan 0.000 0.431 401 Q N -0.349 119.348 119.800 -0.172 0.000 2.096 401 Q HA -0.251 4.080 4.340 -0.015 0.000 0.204 401 Q C 2.175 178.184 176.000 0.014 0.000 0.982 401 Q CA 1.764 57.560 55.803 -0.012 0.000 0.850 401 Q CB -0.133 28.605 28.738 0.000 0.000 0.901 401 Q HN 0.562 nan 8.270 nan 0.000 0.422 402 I N 0.324 120.885 120.570 -0.014 0.000 2.286 402 I HA -0.278 3.883 4.170 -0.015 0.000 0.248 402 I C 2.126 178.327 176.117 0.139 0.000 1.115 402 I CA 1.033 62.415 61.300 0.136 0.000 1.392 402 I CB -0.121 37.913 38.000 0.057 0.000 1.065 402 I HN 0.197 nan 8.210 nan 0.000 0.418 403 I N -0.613 119.953 120.570 -0.006 0.000 2.252 403 I HA -0.309 3.853 4.170 -0.015 0.000 0.245 403 I C 2.372 178.518 176.117 0.048 0.000 1.102 403 I CA 1.314 62.603 61.300 -0.017 0.000 1.385 403 I CB -0.381 37.541 38.000 -0.129 0.000 1.064 403 I HN 0.147 nan 8.210 nan 0.000 0.414 404 Y N 0.910 121.219 120.300 0.015 0.000 2.165 404 Y HA -0.282 4.259 4.550 -0.015 0.000 0.286 404 Y C 2.611 178.482 175.900 -0.049 0.000 1.155 404 Y CA 1.527 59.621 58.100 -0.010 0.000 1.164 404 Y CB -0.832 37.614 38.460 -0.023 0.000 0.978 404 Y HN 0.192 nan 8.280 nan 0.000 0.513 405 E N 0.354 120.598 120.200 0.073 0.000 2.106 405 E HA -0.140 4.201 4.350 -0.015 0.000 0.192 405 E C 2.072 178.598 176.600 -0.124 0.000 0.984 405 E CA 1.192 57.495 56.400 -0.161 0.000 0.806 405 E CB -0.534 28.906 29.700 -0.434 0.000 0.750 405 E HN 0.488 nan 8.360 nan 0.000 0.458 406 I N 0.533 121.138 120.570 0.059 0.000 2.226 406 I HA -0.256 3.906 4.170 -0.015 0.000 0.245 406 I C 2.211 178.340 176.117 0.020 0.000 1.100 406 I CA 1.247 62.542 61.300 -0.010 0.000 1.374 406 I CB -0.342 37.667 38.000 0.016 0.000 1.057 406 I HN 0.187 nan 8.210 nan 0.000 0.413 407 N N 0.784 119.541 118.700 0.094 0.000 2.142 407 N HA -0.258 4.473 4.740 -0.015 0.000 0.186 407 N C 1.857 177.448 175.510 0.135 0.000 1.023 407 N CA 1.481 54.631 53.050 0.166 0.000 0.852 407 N CB -0.132 38.470 38.487 0.193 0.000 0.998 407 N HN 0.321 nan 8.380 nan 0.000 0.424 408 Q N 0.097 119.924 119.800 0.045 0.000 2.061 408 Q HA -0.125 4.206 4.340 -0.015 0.000 0.204 408 Q C 2.002 177.985 176.000 -0.028 0.000 0.984 408 Q CA 1.510 57.304 55.803 -0.015 0.000 0.846 408 Q CB -0.008 28.683 28.738 -0.078 0.000 0.902 408 Q HN 0.353 nan 8.270 nan 0.000 0.421 409 R N -0.746 119.717 120.500 -0.061 0.000 2.092 409 R HA -0.105 4.226 4.340 -0.015 0.000 0.231 409 R C 2.174 178.492 176.300 0.029 0.000 1.119 409 R CA 1.245 57.304 56.100 -0.068 0.000 0.970 409 R CB -0.354 29.851 30.300 -0.158 0.000 0.864 409 R HN 0.286 nan 8.270 nan 0.000 0.440 410 F N 1.497 121.415 119.950 -0.054 0.000 2.113 410 F HA -0.102 4.416 4.527 -0.015 0.000 0.297 410 F C 1.846 177.663 175.800 0.029 0.000 1.103 410 F CA 1.340 59.356 58.000 0.026 0.000 1.248 410 F CB -0.173 38.875 39.000 0.081 0.000 0.999 410 F HN -0.114 nan 8.300 nan 0.000 0.475 411 L N -0.001 121.234 121.223 0.020 0.000 2.201 411 L HA -0.231 4.100 4.340 -0.015 0.000 0.212 411 L C 1.973 178.778 176.870 -0.109 0.000 1.105 411 L CA 1.476 56.268 54.840 -0.080 0.000 0.775 411 L CB -0.853 41.217 42.059 0.020 0.000 0.913 411 L HN 0.273 nan 8.230 nan 0.000 0.440 412 N N -0.220 118.433 118.700 -0.079 0.000 2.188 412 N HA -0.153 4.578 4.740 -0.015 0.000 0.184 412 N C 1.890 177.346 175.510 -0.090 0.000 1.018 412 N CA 0.693 53.699 53.050 -0.073 0.000 0.858 412 N CB 0.026 38.477 38.487 -0.060 0.000 0.989 412 N HN 0.292 nan 8.380 nan 0.000 0.426 413 R N 0.569 120.995 120.500 -0.122 0.000 2.092 413 R HA -0.049 4.282 4.340 -0.015 0.000 0.231 413 R C 2.174 178.378 176.300 -0.159 0.000 1.119 413 R CA 0.848 56.871 56.100 -0.129 0.000 0.970 413 R CB -0.269 29.955 30.300 -0.127 0.000 0.864 413 R HN 0.087 nan 8.270 nan 0.000 0.440 414 V N 0.926 120.694 119.914 -0.243 0.000 2.307 414 V HA -0.221 3.890 4.120 -0.015 0.000 0.245 414 V C 2.461 178.554 176.094 -0.003 0.000 1.045 414 V CA 1.915 64.133 62.300 -0.137 0.000 1.024 414 V CB -0.776 30.889 31.823 -0.265 0.000 0.651 414 V HN 0.391 nan 8.190 nan 0.000 0.449 415 A N 0.187 122.978 122.820 -0.048 0.000 1.917 415 A HA -0.213 4.098 4.320 -0.015 0.000 0.219 415 A C 2.382 179.948 177.584 -0.029 0.000 1.182 415 A CA 2.451 54.475 52.037 -0.022 0.000 0.633 415 A CB -0.799 18.178 19.000 -0.038 0.000 0.819 415 A HN 0.607 nan 8.150 nan 0.000 0.448 416 A N -0.775 122.010 122.820 -0.058 0.000 1.968 416 A HA 0.305 4.616 4.320 -0.015 0.000 0.217 416 A C 2.392 179.899 177.584 -0.127 0.000 1.169 416 A CA 1.740 53.732 52.037 -0.076 0.000 0.638 416 A CB -0.694 18.264 19.000 -0.070 0.000 0.812 416 A HN 1.007 nan 8.150 nan 0.000 0.446 417 A N -1.563 121.152 122.820 -0.175 0.000 1.975 417 A HA 0.361 4.672 4.320 -0.015 0.000 0.215 417 A C 0.483 177.670 177.584 -0.661 0.000 1.170 417 A CA 0.525 52.307 52.037 -0.426 0.000 0.656 417 A CB -0.173 18.528 19.000 -0.499 0.000 0.821 417 A HN 0.413 nan 8.150 nan 0.000 0.449 418 F N 0.126 120.028 119.950 -0.079 0.000 2.531 418 F HA 0.348 4.866 4.527 -0.015 0.000 0.333 418 F C -2.762 173.001 175.800 -0.061 0.000 1.292 418 F CA -2.732 55.227 58.000 -0.069 0.000 1.184 418 F CB 0.860 39.811 39.000 -0.081 0.000 1.426 418 F HN -0.056 nan 8.300 nan 0.000 0.559 419 P HA 0.182 nan 4.420 nan 0.000 0.267 419 P C 0.974 178.293 177.300 0.031 0.000 1.205 419 P CA 0.870 63.980 63.100 0.017 0.000 0.765 419 P CB 0.897 32.589 31.700 -0.014 0.000 0.828 420 G N 2.470 111.282 108.800 0.019 0.000 2.184 420 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.264 420 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.264 420 G C 0.299 175.209 174.900 0.016 0.000 0.975 420 G CA 0.039 45.147 45.100 0.013 0.000 0.642 420 G HN 0.606 nan 8.290 nan 0.000 0.536 421 D N 1.211 121.630 120.400 0.031 0.000 2.558 421 D HA 0.383 5.014 4.640 -0.015 0.000 0.221 421 D C 2.088 178.379 176.300 -0.016 0.000 1.143 421 D CA 0.337 54.342 54.000 0.009 0.000 1.010 421 D CB 0.307 41.116 40.800 0.016 0.000 1.068 421 D HN 0.520 nan 8.370 nan 0.000 0.511 422 V N 0.607 120.514 119.914 -0.013 0.000 2.490 422 V HA -0.162 3.949 4.120 -0.015 0.000 0.250 422 V C 1.827 177.909 176.094 -0.021 0.000 1.061 422 V CA 1.580 63.871 62.300 -0.015 0.000 1.064 422 V CB -0.523 31.295 31.823 -0.009 0.000 0.670 422 V HN 0.227 nan 8.190 nan 0.000 0.461 423 D N 0.301 120.685 120.400 -0.026 0.000 2.178 423 D HA -0.159 4.472 4.640 -0.015 0.000 0.202 423 D C 2.338 178.608 176.300 -0.050 0.000 0.974 423 D CA 1.222 55.206 54.000 -0.028 0.000 0.841 423 D CB -0.193 40.592 40.800 -0.025 0.000 0.953 423 D HN 0.418 nan 8.370 nan 0.000 0.478 424 R N -0.118 120.328 120.500 -0.089 0.000 2.091 424 R HA -0.111 4.220 4.340 -0.015 0.000 0.238 424 R C 2.262 178.489 176.300 -0.122 0.000 1.136 424 R CA 0.981 56.989 56.100 -0.153 0.000 0.959 424 R CB -0.272 29.876 30.300 -0.254 0.000 0.856 424 R HN 0.260 nan 8.270 nan 0.000 0.437 425 L N 0.510 121.688 121.223 -0.076 0.000 2.012 425 L HA -0.231 4.100 4.340 -0.015 0.000 0.210 425 L C 2.664 179.535 176.870 0.002 0.000 1.073 425 L CA 1.997 56.812 54.840 -0.043 0.000 0.748 425 L CB -0.496 41.548 42.059 -0.025 0.000 0.891 425 L HN 0.303 nan 8.230 nan 0.000 0.431 426 R N -0.131 120.376 120.500 0.012 0.000 2.153 426 R HA -0.057 4.274 4.340 -0.015 0.000 0.218 426 R C 2.152 178.502 176.300 0.083 0.000 1.072 426 R CA 0.755 56.884 56.100 0.049 0.000 0.990 426 R CB -0.492 29.832 30.300 0.040 0.000 0.889 426 R HN 0.171 nan 8.270 nan 0.000 0.452 427 R N 0.208 120.738 120.500 0.051 0.000 2.092 427 R HA 0.088 4.419 4.340 -0.015 0.000 0.231 427 R C 1.904 178.281 176.300 0.128 0.000 1.119 427 R CA 1.791 57.945 56.100 0.090 0.000 0.970 427 R CB -0.178 30.133 30.300 0.020 0.000 0.864 427 R HN 0.330 nan 8.270 nan 0.000 0.440 428 M N -0.036 119.561 119.600 -0.005 0.000 2.509 428 M HA 0.049 4.520 4.480 -0.015 0.000 0.250 428 M C 0.782 177.214 176.300 0.219 0.000 1.132 428 M CA -0.045 55.185 55.300 -0.117 0.000 1.080 428 M CB 0.574 32.954 32.600 -0.366 0.000 1.408 428 M HN -0.091 nan 8.290 nan 0.000 0.484 429 S N 1.169 117.019 115.700 0.251 0.000 2.558 429 S HA 0.072 4.534 4.470 -0.015 0.000 0.288 429 S C 1.184 176.035 174.600 0.418 0.000 1.318 429 S CA -0.297 58.081 58.200 0.296 0.000 1.056 429 S CB 0.562 63.880 63.200 0.197 0.000 0.853 429 S HN 0.373 nan 8.310 nan 0.000 0.505 430 L N 4.242 125.668 121.223 0.338 0.000 2.217 430 L HA 0.064 4.395 4.340 -0.015 0.000 0.211 430 L C 0.443 177.425 176.870 0.186 0.000 1.107 430 L CA 0.419 55.418 54.840 0.265 0.000 0.783 430 L CB -0.554 41.607 42.059 0.169 0.000 0.919 430 L HN 0.420 nan 8.230 nan 0.000 0.442 431 V N 1.038 121.072 119.914 0.201 0.000 2.364 431 V HA 0.148 4.259 4.120 -0.015 0.000 0.272 431 V C 0.161 176.341 176.094 0.145 0.000 1.036 431 V CA -0.524 61.882 62.300 0.177 0.000 0.880 431 V CB 1.191 33.148 31.823 0.222 0.000 0.991 431 V HN 0.185 nan 8.190 nan 0.000 0.460 432 E N 3.207 123.472 120.200 0.108 0.000 2.227 432 E HA 0.404 4.745 4.350 -0.015 0.000 0.282 432 E C -0.614 176.035 176.600 0.081 0.000 1.015 432 E CA -0.510 55.942 56.400 0.088 0.000 0.823 432 E CB 1.943 31.674 29.700 0.052 0.000 1.081 432 E HN 0.632 nan 8.360 nan 0.000 0.396 433 E N 0.898 121.141 120.200 0.073 0.000 2.283 433 E HA 0.637 4.978 4.350 -0.015 0.000 0.267 433 E C -0.086 176.547 176.600 0.056 0.000 1.045 433 E CA 0.080 56.518 56.400 0.063 0.000 0.884 433 E CB 1.524 31.256 29.700 0.053 0.000 1.106 433 E HN 0.617 nan 8.360 nan 0.000 0.408 434 G N 0.227 109.059 108.800 0.054 0.000 2.367 434 G HA2 0.328 4.279 3.960 -0.015 0.000 0.272 434 G HA3 0.328 4.279 3.960 -0.015 0.000 0.272 434 G C 0.257 175.189 174.900 0.052 0.000 1.271 434 G CA 0.089 45.219 45.100 0.049 0.000 0.893 434 G HN 0.596 nan 8.290 nan 0.000 0.485 435 A N -0.845 122.005 122.820 0.050 0.000 1.859 435 A HA 0.283 4.594 4.320 -0.015 0.000 0.218 435 A C 1.674 179.301 177.584 0.073 0.000 1.209 435 A CA 3.445 55.514 52.037 0.054 0.000 0.639 435 A CB -1.324 17.705 19.000 0.049 0.000 0.835 435 A HN 2.218 nan 8.150 nan 0.000 0.450 436 V N -2.508 117.459 119.914 0.088 0.000 2.394 436 V HA 0.495 4.606 4.120 -0.015 0.000 0.282 436 V C -0.295 175.864 176.094 0.108 0.000 1.031 436 V CA -1.311 61.064 62.300 0.124 0.000 0.881 436 V CB 1.175 33.097 31.823 0.165 0.000 0.982 436 V HN 0.330 nan 8.190 nan 0.000 0.451 437 K N 4.204 124.676 120.400 0.119 0.000 2.401 437 K HA 0.473 4.784 4.320 -0.015 0.000 0.278 437 K C -0.295 176.364 176.600 0.099 0.000 1.018 437 K CA -0.115 56.237 56.287 0.110 0.000 0.981 437 K CB 0.845 33.422 32.500 0.129 0.000 0.933 437 K HN 0.749 nan 8.250 nan 0.000 0.477 438 R N 1.649 122.199 120.500 0.084 0.000 2.808 438 R HA 0.460 4.791 4.340 -0.015 0.000 0.272 438 R C -0.687 175.649 176.300 0.061 0.000 0.995 438 R CA -0.966 55.172 56.100 0.063 0.000 0.917 438 R CB 1.324 31.642 30.300 0.030 0.000 1.217 438 R HN 0.375 nan 8.270 nan 0.000 0.471 439 I N 1.940 122.542 120.570 0.054 0.000 2.336 439 I HA 0.157 4.319 4.170 -0.015 0.000 0.292 439 I C -0.101 175.998 176.117 -0.030 0.000 0.991 439 I CA -0.666 60.655 61.300 0.034 0.000 1.227 439 I CB 1.076 39.096 38.000 0.033 0.000 1.366 439 I HN 0.504 nan 8.210 nan 0.000 0.466 440 N N 7.049 125.703 118.700 -0.076 0.000 2.415 440 N HA 0.091 4.822 4.740 -0.015 0.000 0.250 440 N C 0.807 176.214 175.510 -0.173 0.000 1.127 440 N CA -0.333 52.589 53.050 -0.215 0.000 0.945 440 N CB 0.948 39.157 38.487 -0.464 0.000 1.196 440 N HN 0.377 nan 8.380 nan 0.000 0.499 441 M N 2.382 121.880 119.600 -0.169 0.000 2.229 441 M HA -0.056 4.415 4.480 -0.015 0.000 0.264 441 M C 1.938 178.091 176.300 -0.246 0.000 1.063 441 M CA 0.715 55.933 55.300 -0.137 0.000 1.114 441 M CB -1.541 31.020 32.600 -0.064 0.000 1.387 441 M HN 0.603 nan 8.290 nan 0.000 0.420 442 A N -0.462 122.205 122.820 -0.254 0.000 1.898 442 A HA -0.175 4.137 4.320 -0.015 0.000 0.216 442 A C 1.996 179.353 177.584 -0.379 0.000 1.181 442 A CA 1.505 53.348 52.037 -0.323 0.000 0.620 442 A CB -1.139 17.880 19.000 0.032 0.000 0.819 442 A HN 0.598 nan 8.150 nan 0.000 0.442 443 H N -0.984 117.878 119.070 -0.347 0.000 2.353 443 H HA -0.061 4.486 4.556 -0.015 0.000 0.300 443 H C 2.143 177.263 175.328 -0.346 0.000 1.090 443 H CA 0.961 56.781 56.048 -0.380 0.000 1.327 443 H CB -0.094 29.665 29.762 -0.004 0.000 1.383 443 H HN 0.372 nan 8.280 nan 0.000 0.508 444 L N 0.459 121.609 121.223 -0.122 0.000 1.989 444 L HA -0.255 4.076 4.340 -0.015 0.000 0.211 444 L C 2.355 179.090 176.870 -0.224 0.000 1.071 444 L CA 1.495 56.255 54.840 -0.132 0.000 0.749 444 L CB -0.483 41.522 42.059 -0.090 0.000 0.890 444 L HN 0.454 nan 8.230 nan 0.000 0.431 445 C N 0.038 119.105 119.300 -0.390 0.000 2.413 445 C HA -0.197 4.255 4.460 -0.015 0.000 0.276 445 C C 2.669 177.407 174.990 -0.421 0.000 1.248 445 C CA 0.775 59.480 59.018 -0.522 0.000 1.742 445 C CB -0.817 26.221 27.740 -1.170 0.000 2.017 445 C HN 0.524 nan 8.230 nan 0.000 0.481 446 I N 1.258 121.533 120.570 -0.491 0.000 2.202 446 I HA -0.188 3.973 4.170 -0.015 0.000 0.242 446 I C 2.743 178.714 176.117 -0.244 0.000 1.091 446 I CA 1.581 62.639 61.300 -0.404 0.000 1.368 446 I CB -0.556 37.062 38.000 -0.636 0.000 1.058 446 I HN 0.267 nan 8.210 nan 0.000 0.410 447 A N 0.601 123.247 122.820 -0.289 0.000 1.908 447 A HA -0.132 4.179 4.320 -0.015 0.000 0.218 447 A C 2.231 179.863 177.584 0.080 0.000 1.181 447 A CA 1.985 53.894 52.037 -0.212 0.000 0.627 447 A CB -1.263 17.444 19.000 -0.488 0.000 0.818 447 A HN 0.478 nan 8.150 nan 0.000 0.445 448 G N -1.209 107.578 108.800 -0.023 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 0.119 174.860 174.900 -0.264 0.000 1.158 448 G CA 0.505 45.469 45.100 -0.227 0.000 0.774 448 G HN 0.355 nan 8.290 nan 0.000 0.545 449 S N -0.344 115.257 115.700 -0.166 0.000 2.536 449 S HA 0.318 4.780 4.470 -0.015 0.000 0.298 449 S C 0.810 175.363 174.600 -0.079 0.000 1.083 449 S CA -0.705 57.422 58.200 -0.122 0.000 0.995 449 S CB 1.296 64.426 63.200 -0.117 0.000 1.058 449 S HN 0.509 nan 8.310 nan 0.000 0.488 450 H N 0.108 119.143 119.070 -0.059 0.000 2.535 450 H HA 0.457 5.004 4.556 -0.015 0.000 0.273 450 H C 0.195 175.511 175.328 -0.020 0.000 0.983 450 H CA 0.364 56.404 56.048 -0.013 0.000 1.238 450 H CB 0.158 29.926 29.762 0.010 0.000 1.412 450 H HN 0.510 nan 8.280 nan 0.000 0.562 451 A N 0.953 123.474 122.820 -0.499 0.000 2.486 451 A HA 0.574 4.885 4.320 -0.015 0.000 0.300 451 A C -1.402 175.979 177.584 -0.337 0.000 1.048 451 A CA -0.581 51.220 52.037 -0.392 0.000 0.696 451 A CB 2.378 21.120 19.000 -0.429 0.000 1.278 451 A HN 0.100 nan 8.150 nan 0.000 0.405 452 V N 3.981 123.661 119.914 -0.389 0.000 2.525 452 V HA 0.489 4.600 4.120 -0.015 0.000 0.299 452 V C -0.876 175.032 176.094 -0.311 0.000 1.034 452 V CA -0.799 61.260 62.300 -0.401 0.000 0.863 452 V CB 1.782 33.204 31.823 -0.667 0.000 0.999 452 V HN 1.020 nan 8.190 nan 0.000 0.423 453 N N 3.251 121.786 118.700 -0.275 0.000 2.240 453 N HA 0.640 5.371 4.740 -0.015 0.000 0.302 453 N C -0.213 175.194 175.510 -0.172 0.000 1.106 453 N CA -0.350 52.583 53.050 -0.195 0.000 0.778 453 N CB 2.925 41.273 38.487 -0.232 0.000 1.431 453 N HN 0.623 nan 8.380 nan 0.000 0.479 454 G N -0.806 107.932 108.800 -0.104 0.000 2.557 454 G HA2 0.436 4.387 3.960 -0.015 0.000 0.302 454 G HA3 0.436 4.387 3.960 -0.015 0.000 0.302 454 G C 0.669 175.630 174.900 0.101 0.000 1.311 454 G CA -0.438 44.658 45.100 -0.006 0.000 1.030 454 G HN 0.647 nan 8.290 nan 0.000 0.509 455 V N -4.023 116.069 119.914 0.297 0.000 3.380 455 V HA 0.708 4.819 4.120 -0.015 0.000 0.307 455 V C 0.484 176.659 176.094 0.136 0.000 1.434 455 V CA 0.374 62.760 62.300 0.143 0.000 1.075 455 V CB -0.620 31.239 31.823 0.059 0.000 0.954 455 V HN 1.384 nan 8.190 nan 0.000 0.444 456 A N 0.067 122.977 122.820 0.150 0.000 2.605 456 A HA 0.641 4.953 4.320 -0.015 0.000 0.294 456 A C 0.690 178.326 177.584 0.086 0.000 1.062 456 A CA -0.068 52.036 52.037 0.113 0.000 0.682 456 A CB 1.241 20.299 19.000 0.096 0.000 1.278 456 A HN 0.036 nan 8.150 nan 0.000 0.410 457 R N 0.955 121.485 120.500 0.050 0.000 2.096 457 R HA -0.155 4.177 4.340 -0.015 0.000 0.240 457 R C 1.582 177.881 176.300 -0.000 0.000 1.139 457 R CA 2.279 58.385 56.100 0.010 0.000 0.952 457 R CB -0.231 30.069 30.300 -0.000 0.000 0.854 457 R HN 0.826 nan 8.270 nan 0.000 0.436 458 I N 0.352 120.931 120.570 0.014 0.000 2.286 458 I HA -0.294 3.867 4.170 -0.015 0.000 0.248 458 I C 2.357 178.484 176.117 0.017 0.000 1.115 458 I CA 1.783 63.083 61.300 0.001 0.000 1.392 458 I CB -0.244 37.756 38.000 -0.001 0.000 1.065 458 I HN 0.363 nan 8.210 nan 0.000 0.418 459 H N 0.335 119.379 119.070 -0.044 0.000 2.321 459 H HA -0.134 4.413 4.556 -0.015 0.000 0.300 459 H C 2.295 177.593 175.328 -0.051 0.000 1.087 459 H CA 2.239 58.257 56.048 -0.050 0.000 1.319 459 H CB -0.280 29.458 29.762 -0.040 0.000 1.379 459 H HN 0.215 nan 8.280 nan 0.000 0.501 460 S N 0.335 115.920 115.700 -0.191 0.000 2.382 460 S HA -0.127 4.334 4.470 -0.015 0.000 0.228 460 S C 1.913 176.396 174.600 -0.196 0.000 1.027 460 S CA 1.212 59.281 58.200 -0.220 0.000 0.991 460 S CB -0.075 63.066 63.200 -0.099 0.000 0.823 460 S HN 0.487 nan 8.310 nan 0.000 0.469 461 E N 1.181 121.287 120.200 -0.156 0.000 2.072 461 E HA -0.012 4.329 4.350 -0.015 0.000 0.191 461 E C 2.040 178.529 176.600 -0.185 0.000 0.985 461 E CA 0.676 56.974 56.400 -0.170 0.000 0.801 461 E CB -0.393 29.238 29.700 -0.115 0.000 0.750 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 I N 1.123 121.600 120.570 -0.154 0.000 2.264 462 I HA -0.282 3.879 4.170 -0.015 0.000 0.248 462 I C 2.417 178.412 176.117 -0.203 0.000 1.111 462 I CA 0.828 62.039 61.300 -0.148 0.000 1.382 462 I CB -0.269 37.678 38.000 -0.089 0.000 1.060 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.401 121.470 121.223 -0.257 0.000 2.017 463 L HA -0.218 4.114 4.340 -0.015 0.000 0.208 463 L C 2.518 179.275 176.870 -0.189 0.000 1.073 463 L CA 1.588 56.301 54.840 -0.211 0.000 0.745 463 L CB -0.605 41.410 42.059 -0.074 0.000 0.894 463 L HN 0.213 nan 8.230 nan 0.000 0.432 464 K N -0.064 120.139 120.400 -0.328 0.000 2.155 464 K HA -0.140 4.172 4.320 -0.015 0.000 0.203 464 K C 2.062 178.449 176.600 -0.354 0.000 1.052 464 K CA 0.992 56.937 56.287 -0.571 0.000 0.948 464 K CB 0.037 31.953 32.500 -0.974 0.000 0.728 464 K HN 0.236 nan 8.250 nan 0.000 0.448 465 K N -0.074 120.180 120.400 -0.242 0.000 2.284 465 K HA -0.025 4.286 4.320 -0.015 0.000 0.198 465 K C 1.790 178.332 176.600 -0.098 0.000 1.048 465 K CA 1.319 57.518 56.287 -0.147 0.000 0.987 465 K CB 0.516 32.940 32.500 -0.127 0.000 0.800 465 K HN 0.265 nan 8.250 nan 0.000 0.486 466 T N -1.668 112.819 114.554 -0.112 0.000 3.364 466 T HA 0.056 4.397 4.350 -0.015 0.000 0.179 466 T C 1.848 176.497 174.700 -0.085 0.000 0.939 466 T CA 0.041 62.089 62.100 -0.087 0.000 1.094 466 T CB -0.766 68.047 68.868 -0.093 0.000 1.532 466 T HN 0.114 nan 8.240 nan 0.000 0.346 467 I N -0.966 119.491 120.570 -0.189 0.000 2.454 467 I HA 0.194 4.355 4.170 -0.015 0.000 0.254 467 I C 0.996 177.043 176.117 -0.117 0.000 1.156 467 I CA 1.390 62.537 61.300 -0.256 0.000 1.433 467 I CB -0.464 37.240 38.000 -0.494 0.000 1.082 467 I HN 0.137 nan 8.210 nan 0.000 0.432 468 F N 1.131 121.145 119.950 0.107 0.000 2.735 468 F HA 0.384 4.903 4.527 -0.015 0.000 0.304 468 F C 1.837 177.723 175.800 0.142 0.000 1.119 468 F CA -1.111 57.022 58.000 0.222 0.000 1.280 468 F CB -0.517 38.608 39.000 0.208 0.000 0.994 468 F HN -0.023 nan 8.300 nan 0.000 0.520 469 K N 0.874 121.384 120.400 0.183 0.000 2.034 469 K HA -0.220 4.091 4.320 -0.015 0.000 0.214 469 K C 1.396 178.054 176.600 0.096 0.000 1.051 469 K CA 2.301 58.639 56.287 0.084 0.000 0.931 469 K CB -0.004 32.511 32.500 0.025 0.000 0.715 469 K HN 0.092 nan 8.250 nan 0.000 0.446 470 D N -0.174 120.259 120.400 0.054 0.000 2.123 470 D HA -0.174 4.457 4.640 -0.015 0.000 0.196 470 D C 1.852 178.068 176.300 -0.139 0.000 0.992 470 D CA 1.329 55.233 54.000 -0.160 0.000 0.833 470 D CB -0.332 40.273 40.800 -0.326 0.000 0.954 470 D HN 0.245 nan 8.370 nan 0.000 0.455 471 F N -0.112 119.913 119.950 0.125 0.000 2.146 471 F HA -0.139 4.379 4.527 -0.015 0.000 0.298 471 F C 2.377 178.335 175.800 0.264 0.000 1.096 471 F CA 0.520 58.674 58.000 0.257 0.000 1.275 471 F CB -0.845 38.374 39.000 0.365 0.000 1.008 471 F HN -0.028 nan 8.300 nan 0.000 0.480 472 Y N 1.330 121.626 120.300 -0.007 0.000 2.224 472 Y HA -0.213 4.328 4.550 -0.015 0.000 0.289 472 Y C 2.144 178.040 175.900 -0.007 0.000 1.146 472 Y CA 1.716 59.635 58.100 -0.302 0.000 1.182 472 Y CB -0.594 37.474 38.460 -0.654 0.000 0.983 472 Y HN 0.143 nan 8.280 nan 0.000 0.524 473 E N -0.375 119.790 120.200 -0.058 0.000 2.106 473 E HA -0.198 4.143 4.350 -0.015 0.000 0.192 473 E C 2.016 178.684 176.600 0.113 0.000 0.984 473 E CA 1.193 57.572 56.400 -0.034 0.000 0.806 473 E CB -0.282 29.436 29.700 0.030 0.000 0.750 473 E HN 0.429 nan 8.360 nan 0.000 0.458 474 L N 0.950 122.273 121.223 0.166 0.000 2.072 474 L HA -0.080 4.251 4.340 -0.015 0.000 0.205 474 L C 0.238 177.192 176.870 0.141 0.000 1.079 474 L CA 1.685 56.660 54.840 0.224 0.000 0.752 474 L CB 0.337 42.512 42.059 0.194 0.000 0.906 474 L HN -0.074 nan 8.230 nan 0.000 0.436 475 E N -0.555 119.714 120.200 0.114 0.000 3.352 475 E HA 0.171 4.512 4.350 -0.015 0.000 0.254 475 E C -2.020 174.499 176.600 -0.134 0.000 1.229 475 E CA -1.169 55.200 56.400 -0.050 0.000 0.949 475 E CB 0.800 30.461 29.700 -0.064 0.000 1.373 475 E HN 0.171 nan 8.360 nan 0.000 0.392 476 P HA -0.223 nan 4.420 nan 0.000 0.220 476 P C 1.057 178.438 177.300 0.136 0.000 1.148 476 P CA 1.399 64.376 63.100 -0.205 0.000 0.803 476 P CB -0.015 31.432 31.700 -0.421 0.000 0.782 477 H N -0.304 118.858 119.070 0.152 0.000 2.456 477 H HA 0.016 4.563 4.556 -0.015 0.000 0.296 477 H C 1.794 177.207 175.328 0.142 0.000 1.079 477 H CA 1.068 57.199 56.048 0.138 0.000 1.322 477 H CB -0.933 28.884 29.762 0.092 0.000 1.388 477 H HN 0.083 nan 8.280 nan 0.000 0.538 478 K N 0.042 120.349 120.400 -0.155 0.000 2.211 478 K HA -0.003 4.309 4.320 -0.015 0.000 0.203 478 K C -0.442 176.020 176.600 -0.231 0.000 1.050 478 K CA 0.377 56.549 56.287 -0.192 0.000 0.945 478 K CB 0.067 32.334 32.500 -0.388 0.000 0.732 478 K HN 0.207 nan 8.250 nan 0.000 0.451 479 F N 1.704 121.686 119.950 0.052 0.000 2.420 479 F HA 0.194 4.712 4.527 -0.015 0.000 0.352 479 F C 0.451 176.260 175.800 0.015 0.000 1.108 479 F CA -0.165 57.870 58.000 0.059 0.000 1.162 479 F CB 0.999 40.099 39.000 0.168 0.000 1.118 479 F HN -0.118 nan 8.300 nan 0.000 0.510 480 Q N 1.750 121.591 119.800 0.068 0.000 2.544 480 Q HA 0.344 4.675 4.340 -0.015 0.000 0.291 480 Q C -1.152 174.812 176.000 -0.061 0.000 1.068 480 Q CA -1.230 54.560 55.803 -0.022 0.000 0.785 480 Q CB 3.210 31.878 28.738 -0.116 0.000 1.481 480 Q HN 0.617 nan 8.270 nan 0.000 0.430 481 N N 0.813 119.459 118.700 -0.090 0.000 2.314 481 N HA 0.275 5.006 4.740 -0.015 0.000 0.304 481 N C -1.406 174.003 175.510 -0.167 0.000 1.073 481 N CA -0.383 52.608 53.050 -0.098 0.000 0.822 481 N CB 0.963 39.414 38.487 -0.060 0.000 1.280 481 N HN 0.282 nan 8.380 nan 0.000 0.489 482 K N 2.752 123.053 120.400 -0.164 0.000 2.723 482 K HA 0.180 4.491 4.320 -0.015 0.000 0.229 482 K C -0.946 175.657 176.600 0.004 0.000 1.022 482 K CA -0.493 55.670 56.287 -0.206 0.000 1.045 482 K CB 1.213 33.351 32.500 -0.604 0.000 1.227 482 K HN 0.538 nan 8.250 nan 0.000 0.516 483 T N 2.068 116.641 114.554 0.033 0.000 2.908 483 T HA 0.044 4.385 4.350 -0.015 0.000 0.301 483 T C 0.777 175.599 174.700 0.204 0.000 1.019 483 T CA 0.384 62.556 62.100 0.119 0.000 1.152 483 T CB 0.271 69.205 68.868 0.110 0.000 0.966 483 T HN 0.351 nan 8.240 nan 0.000 0.540 484 N N 0.624 119.471 118.700 0.245 0.000 2.297 484 N HA 0.419 5.151 4.740 -0.015 0.000 0.232 484 N C 0.510 176.208 175.510 0.314 0.000 1.311 484 N CA -0.220 53.010 53.050 0.300 0.000 0.897 484 N CB 0.426 39.034 38.487 0.201 0.000 1.137 484 N HN 0.755 nan 8.380 nan 0.000 0.449 485 G N -0.605 108.389 108.800 0.323 0.000 2.721 485 G HA2 0.629 4.580 3.960 -0.015 0.000 0.296 485 G HA3 0.629 4.580 3.960 -0.015 0.000 0.296 485 G C -1.391 173.635 174.900 0.211 0.000 1.383 485 G CA -0.728 44.542 45.100 0.283 0.000 0.788 485 G HN 0.601 nan 8.290 nan 0.000 0.500 486 I N -2.381 118.299 120.570 0.183 0.000 2.828 486 I HA 0.724 4.886 4.170 -0.015 0.000 0.302 486 I C -0.226 176.046 176.117 0.258 0.000 1.101 486 I CA -0.915 60.484 61.300 0.166 0.000 1.031 486 I CB 2.428 40.410 38.000 -0.030 0.000 1.231 486 I HN 0.506 nan 8.210 nan 0.000 0.427 487 T N 4.304 119.068 114.554 0.350 0.000 2.814 487 T HA 0.351 4.692 4.350 -0.015 0.000 0.297 487 T C -1.487 173.333 174.700 0.201 0.000 0.956 487 T CA -1.500 60.730 62.100 0.217 0.000 1.123 487 T CB 0.747 69.686 68.868 0.119 0.000 0.902 487 T HN 0.637 nan 8.240 nan 0.000 0.528 488 P HA 0.086 nan 4.420 nan 0.000 0.237 488 P C 1.050 178.308 177.300 -0.070 0.000 1.178 488 P CA 0.258 63.389 63.100 0.052 0.000 0.766 488 P CB 0.320 32.032 31.700 0.019 0.000 0.876 489 R N 0.395 120.809 120.500 -0.142 0.000 2.056 489 R HA 0.032 4.363 4.340 -0.015 0.000 0.227 489 R C 2.644 178.811 176.300 -0.221 0.000 1.149 489 R CA 1.459 57.429 56.100 -0.215 0.000 0.937 489 R CB -1.201 28.977 30.300 -0.203 0.000 0.835 489 R HN 0.024 nan 8.270 nan 0.000 0.430 490 R N -0.773 119.534 120.500 -0.322 0.000 2.081 490 R HA -0.136 4.195 4.340 -0.015 0.000 0.235 490 R C 1.073 177.000 176.300 -0.622 0.000 1.131 490 R CA 1.738 57.479 56.100 -0.598 0.000 0.960 490 R CB -0.156 29.575 30.300 -0.949 0.000 0.856 490 R HN 0.311 nan 8.270 nan 0.000 0.436 491 W N -0.595 120.654 121.300 -0.085 0.000 3.353 491 W HA 0.166 4.817 4.660 -0.016 0.000 0.304 491 W C 1.010 177.491 176.519 -0.063 0.000 1.273 491 W CA -0.714 56.581 57.345 -0.085 0.000 1.773 491 W CB 0.451 29.866 29.460 -0.075 0.000 1.095 491 W HN 0.205 nan 8.180 nan 0.000 0.676 492 L N -2.174 119.098 121.223 0.081 0.000 2.865 492 L HA 0.188 4.519 4.340 -0.015 0.000 0.167 492 L C 1.818 178.695 176.870 0.012 0.000 1.135 492 L CA 0.763 55.644 54.840 0.069 0.000 0.895 492 L CB -0.847 41.281 42.059 0.114 0.000 1.643 492 L HN -0.251 nan 8.230 nan 0.000 0.518 493 V N 1.074 120.969 119.914 -0.031 0.000 2.287 493 V HA -0.287 3.825 4.120 -0.015 0.000 0.248 493 V C 2.441 178.498 176.094 -0.062 0.000 1.053 493 V CA 2.493 64.765 62.300 -0.047 0.000 1.027 493 V CB -0.727 31.036 31.823 -0.100 0.000 0.646 493 V HN 0.513 nan 8.190 nan 0.000 0.447 494 L N 0.518 121.673 121.223 -0.114 0.000 2.005 494 L HA -0.197 4.134 4.340 -0.015 0.000 0.207 494 L C 2.459 179.254 176.870 -0.124 0.000 1.072 494 L CA 2.478 57.234 54.840 -0.139 0.000 0.744 494 L CB -0.270 41.653 42.059 -0.227 0.000 0.895 494 L HN 0.667 nan 8.230 nan 0.000 0.433 495 C N -1.872 117.348 119.300 -0.133 0.000 2.673 495 C HA 0.229 4.680 4.460 -0.015 0.000 0.264 495 C C 1.140 176.104 174.990 -0.044 0.000 1.304 495 C CA -0.344 58.614 59.018 -0.100 0.000 1.727 495 C CB -0.996 26.680 27.740 -0.106 0.000 1.932 495 C HN 0.593 nan 8.230 nan 0.000 0.563 496 N N 1.162 119.849 118.700 -0.022 0.000 2.733 496 N HA 0.285 5.016 4.740 -0.015 0.000 0.271 496 N C -1.801 173.716 175.510 0.012 0.000 1.720 496 N CA -1.576 51.475 53.050 0.001 0.000 0.803 496 N CB 0.818 39.316 38.487 0.017 0.000 1.208 496 N HN 0.221 nan 8.380 nan 0.000 0.498 497 P HA -0.046 nan 4.420 nan 0.000 0.217 497 P C 1.410 178.725 177.300 0.024 0.000 1.150 497 P CA 0.990 64.097 63.100 0.012 0.000 0.832 497 P CB 0.202 31.901 31.700 -0.001 0.000 0.787 498 G N 0.445 109.254 108.800 0.016 0.000 2.440 498 G HA2 -0.246 3.705 3.960 -0.015 0.000 0.218 498 G HA3 -0.246 3.705 3.960 -0.015 0.000 0.218 498 G C 1.536 176.448 174.900 0.020 0.000 1.154 498 G CA 0.622 45.731 45.100 0.015 0.000 0.767 498 G HN 0.228 nan 8.290 nan 0.000 0.552 499 L N 1.316 122.552 121.223 0.022 0.000 2.027 499 L HA 0.230 4.562 4.340 -0.015 0.000 0.206 499 L C 3.107 180.014 176.870 0.062 0.000 1.074 499 L CA 2.028 56.884 54.840 0.026 0.000 0.745 499 L CB -0.843 41.230 42.059 0.024 0.000 0.898 499 L HN 0.235 nan 8.230 nan 0.000 0.433 500 A N -0.833 122.043 122.820 0.093 0.000 1.940 500 A HA -0.274 4.037 4.320 -0.015 0.000 0.219 500 A C 2.257 179.945 177.584 0.173 0.000 1.176 500 A CA 1.949 54.095 52.037 0.181 0.000 0.631 500 A CB -0.665 18.425 19.000 0.149 0.000 0.814 500 A HN 0.548 nan 8.150 nan 0.000 0.446 501 E N 0.501 120.761 120.200 0.099 0.000 2.046 501 E HA -0.127 4.214 4.350 -0.015 0.000 0.190 501 E C 1.810 178.451 176.600 0.068 0.000 0.982 501 E CA 1.416 57.863 56.400 0.078 0.000 0.800 501 E CB -0.519 29.209 29.700 0.047 0.000 0.756 501 E HN 0.744 nan 8.360 nan 0.000 0.449 502 I N -1.729 118.880 120.570 0.065 0.000 2.493 502 I HA -0.113 4.048 4.170 -0.015 0.000 0.254 502 I C 2.085 178.275 176.117 0.121 0.000 1.160 502 I CA 1.073 62.428 61.300 0.091 0.000 1.445 502 I CB -0.269 37.778 38.000 0.079 0.000 1.086 502 I HN 0.014 nan 8.210 nan 0.000 0.433 503 I N 1.795 122.408 120.570 0.071 0.000 2.233 503 I HA -0.159 4.002 4.170 -0.015 0.000 0.243 503 I C 2.965 179.007 176.117 -0.126 0.000 1.093 503 I CA 1.301 62.550 61.300 -0.086 0.000 1.380 503 I CB -0.474 37.358 38.000 -0.280 0.000 1.067 503 I HN 0.296 nan 8.210 nan 0.000 0.413 504 A N 0.362 123.212 122.820 0.050 0.000 1.972 504 A HA -0.232 4.079 4.320 -0.015 0.000 0.219 504 A C 2.148 179.753 177.584 0.035 0.000 1.169 504 A CA 1.634 53.755 52.037 0.140 0.000 0.635 504 A CB -0.624 18.505 19.000 0.215 0.000 0.810 504 A HN 0.451 nan 8.150 nan 0.000 0.446 505 E N -0.791 119.412 120.200 0.005 0.000 2.160 505 E HA -0.213 4.128 4.350 -0.015 0.000 0.195 505 E C 2.219 178.777 176.600 -0.070 0.000 0.991 505 E CA 1.359 57.749 56.400 -0.016 0.000 0.810 505 E CB -0.083 29.615 29.700 -0.003 0.000 0.742 505 E HN 0.598 nan 8.360 nan 0.000 0.466 506 R N -0.163 120.233 120.500 -0.174 0.000 2.146 506 R HA 0.144 4.475 4.340 -0.015 0.000 0.206 506 R C 2.099 178.292 176.300 -0.178 0.000 1.049 506 R CA 0.734 56.660 56.100 -0.291 0.000 1.029 506 R CB 0.256 30.075 30.300 -0.801 0.000 0.949 506 R HN 0.216 nan 8.270 nan 0.000 0.471 507 I N -3.224 117.253 120.570 -0.154 0.000 4.081 507 I HA 0.489 4.650 4.170 -0.015 0.000 0.333 507 I C 0.389 176.531 176.117 0.041 0.000 1.413 507 I CA -0.203 61.062 61.300 -0.057 0.000 1.110 507 I CB 0.936 38.875 38.000 -0.101 0.000 1.082 507 I HN 0.157 nan 8.210 nan 0.000 0.402 508 G N 1.996 110.833 108.800 0.061 0.000 2.741 508 G HA2 -0.234 3.718 3.960 -0.015 0.000 0.222 508 G HA3 -0.234 3.718 3.960 -0.015 0.000 0.222 508 G C 0.003 175.034 174.900 0.220 0.000 1.364 508 G CA 0.251 45.415 45.100 0.107 0.000 0.866 508 G HN 0.470 nan 8.290 nan 0.000 0.555 509 E N -0.404 119.881 120.200 0.142 0.000 2.476 509 E HA 0.098 4.439 4.350 -0.015 0.000 0.199 509 E C 1.921 178.485 176.600 -0.060 0.000 1.021 509 E CA 0.253 56.688 56.400 0.058 0.000 0.907 509 E CB 0.353 30.071 29.700 0.030 0.000 0.974 509 E HN 0.604 nan 8.360 nan 0.000 0.489 510 E N 0.368 120.601 120.200 0.054 0.000 2.268 510 E HA -0.182 4.159 4.350 -0.015 0.000 0.195 510 E C 1.534 178.138 176.600 0.008 0.000 0.995 510 E CA 0.751 57.170 56.400 0.033 0.000 0.836 510 E CB 0.007 29.746 29.700 0.065 0.000 0.763 510 E HN 0.434 nan 8.360 nan 0.000 0.491 511 Y N -1.145 119.157 120.300 0.005 0.000 2.403 511 Y HA -0.073 4.470 4.550 -0.013 0.000 0.291 511 Y C 1.645 177.522 175.900 -0.038 0.000 1.143 511 Y CA 0.535 58.629 58.100 -0.009 0.000 1.257 511 Y CB -0.539 37.917 38.460 -0.007 0.000 0.984 511 Y HN -0.031 nan 8.280 nan 0.000 0.550 512 I N 0.874 120.987 120.570 -0.762 0.000 2.361 512 I HA -0.226 3.935 4.170 -0.015 0.000 0.251 512 I C 1.691 177.549 176.117 -0.432 0.000 1.133 512 I CA 1.781 62.654 61.300 -0.711 0.000 1.413 512 I CB -0.348 37.139 38.000 -0.854 0.000 1.073 512 I HN 0.461 nan 8.210 nan 0.000 0.424 513 S N -2.118 113.441 115.700 -0.235 0.000 2.663 513 S HA 0.183 4.644 4.470 -0.015 0.000 0.243 513 S C 0.126 174.712 174.600 -0.023 0.000 1.009 513 S CA -0.495 57.647 58.200 -0.097 0.000 0.988 513 S CB 0.309 63.527 63.200 0.029 0.000 0.896 513 S HN 0.261 nan 8.310 nan 0.000 0.502 514 D N 0.815 121.208 120.400 -0.011 0.000 2.668 514 D HA 0.240 4.871 4.640 -0.015 0.000 0.247 514 D C 0.217 176.559 176.300 0.070 0.000 1.268 514 D CA -0.392 53.627 54.000 0.030 0.000 0.842 514 D CB 0.627 41.450 40.800 0.038 0.000 1.399 514 D HN 0.118 nan 8.370 nan 0.000 0.530 515 L N 1.574 122.837 121.223 0.068 0.000 2.362 515 L HA 0.045 4.376 4.340 -0.015 0.000 0.219 515 L C 1.411 178.336 176.870 0.093 0.000 1.134 515 L CA 1.359 56.269 54.840 0.117 0.000 0.807 515 L CB 0.001 42.125 42.059 0.107 0.000 0.927 515 L HN 0.254 nan 8.230 nan 0.000 0.447 516 D N -0.606 119.825 120.400 0.053 0.000 2.221 516 D HA -0.220 4.411 4.640 -0.015 0.000 0.204 516 D C 1.871 178.196 176.300 0.041 0.000 0.982 516 D CA 0.876 54.894 54.000 0.030 0.000 0.857 516 D CB 0.064 40.869 40.800 0.009 0.000 0.934 516 D HN 0.550 nan 8.370 nan 0.000 0.475 517 Q N 0.031 119.872 119.800 0.067 0.000 2.364 517 Q HA -0.071 4.260 4.340 -0.015 0.000 0.209 517 Q C 2.317 178.335 176.000 0.028 0.000 0.977 517 Q CA 0.305 56.147 55.803 0.065 0.000 0.885 517 Q CB -0.020 28.787 28.738 0.114 0.000 0.941 517 Q HN 0.401 nan 8.270 nan 0.000 0.464 518 L N 0.046 121.283 121.223 0.022 0.000 2.261 518 L HA -0.204 4.127 4.340 -0.015 0.000 0.216 518 L C 2.458 179.324 176.870 -0.006 0.000 1.114 518 L CA 0.849 55.667 54.840 -0.035 0.000 0.777 518 L CB -0.378 41.677 42.059 -0.006 0.000 0.910 518 L HN 0.210 nan 8.230 nan 0.000 0.440 519 R N 0.753 121.262 120.500 0.015 0.000 2.117 519 R HA -0.201 4.130 4.340 -0.015 0.000 0.243 519 R C 2.203 178.515 176.300 0.020 0.000 1.143 519 R CA 1.414 57.526 56.100 0.020 0.000 0.968 519 R CB -0.031 30.278 30.300 0.015 0.000 0.863 519 R HN 0.265 nan 8.270 nan 0.000 0.444 520 K N 0.203 120.612 120.400 0.015 0.000 2.293 520 K HA -0.174 4.137 4.320 -0.015 0.000 0.204 520 K C 1.815 178.461 176.600 0.077 0.000 1.045 520 K CA 1.162 57.468 56.287 0.033 0.000 0.933 520 K CB -0.140 32.378 32.500 0.031 0.000 0.736 520 K HN 0.295 nan 8.250 nan 0.000 0.463 521 L N 0.467 121.709 121.223 0.033 0.000 2.362 521 L HA -0.159 4.173 4.340 -0.015 0.000 0.219 521 L C 1.900 178.852 176.870 0.135 0.000 1.134 521 L CA 0.103 54.973 54.840 0.050 0.000 0.807 521 L CB -0.293 41.757 42.059 -0.014 0.000 0.927 521 L HN 0.142 nan 8.230 nan 0.000 0.447 522 L N 0.152 121.425 121.223 0.083 0.000 2.127 522 L HA -0.206 4.126 4.340 -0.015 0.000 0.211 522 L C 2.669 179.557 176.870 0.031 0.000 1.089 522 L CA 2.053 56.930 54.840 0.062 0.000 0.757 522 L CB -1.135 40.942 42.059 0.031 0.000 0.899 522 L HN 0.387 nan 8.230 nan 0.000 0.434 523 S N -2.756 112.932 115.700 -0.020 0.000 2.660 523 S HA -0.053 4.409 4.470 -0.015 0.000 0.223 523 S C 1.072 175.463 174.600 -0.348 0.000 0.963 523 S CA 0.110 58.204 58.200 -0.177 0.000 0.932 523 S CB -0.509 62.544 63.200 -0.245 0.000 0.775 523 S HN 0.464 nan 8.310 nan 0.000 0.531 524 Y N -0.701 119.557 120.300 -0.069 0.000 2.641 524 Y HA 0.427 4.975 4.550 -0.003 0.000 0.248 524 Y C 1.791 177.754 175.900 0.105 0.000 1.170 524 Y CA -0.544 57.523 58.100 -0.055 0.000 1.201 524 Y CB 0.360 38.619 38.460 -0.335 0.000 1.232 524 Y HN 0.267 nan 8.280 nan 0.000 0.537 525 V N 0.402 120.424 119.914 0.181 0.000 2.759 525 V HA -0.199 3.913 4.120 -0.015 0.000 0.256 525 V C 0.933 177.099 176.094 0.120 0.000 1.080 525 V CA 2.218 64.614 62.300 0.160 0.000 1.101 525 V CB 0.020 31.899 31.823 0.093 0.000 0.698 525 V HN 0.359 nan 8.190 nan 0.000 0.477 526 D N -0.812 119.640 120.400 0.087 0.000 2.395 526 D HA 0.109 4.740 4.640 -0.015 0.000 0.213 526 D C 0.368 176.715 176.300 0.078 0.000 1.110 526 D CA -0.041 53.997 54.000 0.063 0.000 0.835 526 D CB 0.169 40.984 40.800 0.025 0.000 0.965 526 D HN 0.445 nan 8.370 nan 0.000 0.505 527 D N 1.566 122.046 120.400 0.135 0.000 2.339 527 D HA -0.027 4.604 4.640 -0.015 0.000 0.256 527 D C 1.077 177.481 176.300 0.173 0.000 1.214 527 D CA 0.019 54.116 54.000 0.163 0.000 0.877 527 D CB 1.778 42.743 40.800 0.275 0.000 1.111 527 D HN -0.189 nan 8.370 nan 0.000 0.478 528 E N 3.265 123.532 120.200 0.112 0.000 2.150 528 E HA -0.110 4.231 4.350 -0.015 0.000 0.193 528 E C 1.720 178.375 176.600 0.092 0.000 0.985 528 E CA 1.299 57.749 56.400 0.084 0.000 0.814 528 E CB 0.001 29.733 29.700 0.053 0.000 0.752 528 E HN 0.589 nan 8.360 nan 0.000 0.466 529 A N -0.103 122.789 122.820 0.120 0.000 1.855 529 A HA -0.140 4.171 4.320 -0.015 0.000 0.215 529 A C 2.132 179.808 177.584 0.153 0.000 1.191 529 A CA 1.324 53.431 52.037 0.117 0.000 0.613 529 A CB -0.951 18.121 19.000 0.121 0.000 0.829 529 A HN 0.407 nan 8.150 nan 0.000 0.442 530 F N 0.762 120.735 119.950 0.039 0.000 2.095 530 F HA -0.167 4.351 4.527 -0.014 0.000 0.298 530 F C 2.029 177.837 175.800 0.013 0.000 1.104 530 F CA 1.408 59.415 58.000 0.011 0.000 1.232 530 F CB -0.423 38.595 39.000 0.030 0.000 0.987 530 F HN 0.184 nan 8.300 nan 0.000 0.475 531 I N -0.060 120.524 120.570 0.022 0.000 2.118 531 I HA -0.397 3.764 4.170 -0.015 0.000 0.241 531 I C 2.669 178.725 176.117 -0.101 0.000 1.070 531 I CA 1.942 63.201 61.300 -0.068 0.000 1.327 531 I CB -0.547 37.465 38.000 0.020 0.000 1.034 531 I HN 0.076 nan 8.210 nan 0.000 0.405 532 R N 0.854 121.326 120.500 -0.046 0.000 2.091 532 R HA -0.212 4.119 4.340 -0.015 0.000 0.238 532 R C 1.891 178.144 176.300 -0.078 0.000 1.136 532 R CA 2.058 58.131 56.100 -0.045 0.000 0.959 532 R CB -0.160 30.133 30.300 -0.011 0.000 0.856 532 R HN 0.320 nan 8.270 nan 0.000 0.437 533 D N -0.530 119.808 120.400 -0.104 0.000 2.123 533 D HA -0.100 4.531 4.640 -0.015 0.000 0.200 533 D C 1.931 178.110 176.300 -0.201 0.000 0.976 533 D CA 1.123 55.051 54.000 -0.120 0.000 0.831 533 D CB -0.128 40.631 40.800 -0.068 0.000 0.974 533 D HN 0.081 nan 8.370 nan 0.000 0.469 534 V N 1.470 121.161 119.914 -0.371 0.000 2.287 534 V HA -0.254 3.857 4.120 -0.015 0.000 0.248 534 V C 2.504 178.499 176.094 -0.164 0.000 1.053 534 V CA 1.961 64.049 62.300 -0.353 0.000 1.027 534 V CB -0.764 30.752 31.823 -0.511 0.000 0.646 534 V HN 0.189 nan 8.190 nan 0.000 0.447 535 A N -0.525 122.220 122.820 -0.126 0.000 1.969 535 A HA -0.219 4.093 4.320 -0.015 0.000 0.218 535 A C 2.336 179.884 177.584 -0.060 0.000 1.169 535 A CA 1.940 53.938 52.037 -0.064 0.000 0.635 535 A CB -0.433 18.534 19.000 -0.055 0.000 0.810 535 A HN 0.540 nan 8.150 nan 0.000 0.445 536 K N -0.195 120.166 120.400 -0.065 0.000 2.057 536 K HA -0.082 4.229 4.320 -0.015 0.000 0.207 536 K C 1.790 178.366 176.600 -0.040 0.000 1.049 536 K CA 1.547 57.805 56.287 -0.048 0.000 0.931 536 K CB -0.255 32.220 32.500 -0.042 0.000 0.714 536 K HN 0.201 nan 8.250 nan 0.000 0.440 537 V N 1.677 121.562 119.914 -0.048 0.000 2.295 537 V HA -0.249 3.863 4.120 -0.015 0.000 0.246 537 V C 2.385 178.467 176.094 -0.021 0.000 1.049 537 V CA 2.018 64.298 62.300 -0.032 0.000 1.024 537 V CB -0.466 31.333 31.823 -0.041 0.000 0.648 537 V HN 0.358 nan 8.190 nan 0.000 0.447 538 K N 0.347 120.732 120.400 -0.025 0.000 2.032 538 K HA -0.240 4.072 4.320 -0.015 0.000 0.209 538 K C 2.178 178.754 176.600 -0.040 0.000 1.048 538 K CA 1.871 58.150 56.287 -0.014 0.000 0.927 538 K CB -0.562 31.945 32.500 0.012 0.000 0.712 538 K HN 0.382 nan 8.250 nan 0.000 0.441 539 Q N 0.966 120.736 119.800 -0.050 0.000 2.096 539 Q HA -0.144 4.188 4.340 -0.015 0.000 0.204 539 Q C 1.757 177.736 176.000 -0.034 0.000 0.982 539 Q CA 2.121 57.886 55.803 -0.064 0.000 0.850 539 Q CB -0.134 28.570 28.738 -0.056 0.000 0.901 539 Q HN 0.508 nan 8.270 nan 0.000 0.422 540 E N -0.615 119.577 120.200 -0.013 0.000 2.077 540 E HA -0.167 4.174 4.350 -0.015 0.000 0.193 540 E C 1.735 178.356 176.600 0.036 0.000 0.989 540 E CA 1.012 57.418 56.400 0.011 0.000 0.800 540 E CB -0.062 29.642 29.700 0.008 0.000 0.746 540 E HN 0.404 nan 8.360 nan 0.000 0.452 541 N N 0.847 119.566 118.700 0.031 0.000 2.188 541 N HA -0.118 4.613 4.740 -0.015 0.000 0.184 541 N C 1.484 177.068 175.510 0.125 0.000 1.018 541 N CA 0.994 54.082 53.050 0.064 0.000 0.858 541 N CB -0.054 38.456 38.487 0.037 0.000 0.989 541 N HN 0.126 nan 8.380 nan 0.000 0.426 542 K N 0.559 120.991 120.400 0.053 0.000 2.057 542 K HA 0.031 4.342 4.320 -0.015 0.000 0.206 542 K C 2.093 178.805 176.600 0.186 0.000 1.050 542 K CA 0.640 56.957 56.287 0.051 0.000 0.935 542 K CB -0.148 32.102 32.500 -0.416 0.000 0.715 542 K HN 0.090 nan 8.250 nan 0.000 0.439 543 L N 1.204 122.486 121.223 0.098 0.000 2.046 543 L HA -0.202 4.129 4.340 -0.015 0.000 0.208 543 L C 2.599 179.562 176.870 0.155 0.000 1.077 543 L CA 1.332 56.241 54.840 0.115 0.000 0.747 543 L CB -0.332 41.765 42.059 0.064 0.000 0.896 543 L HN 0.152 nan 8.230 nan 0.000 0.432 544 K N -0.301 120.195 120.400 0.161 0.000 2.057 544 K HA -0.241 4.070 4.320 -0.015 0.000 0.207 544 K C 2.176 178.936 176.600 0.266 0.000 1.049 544 K CA 1.680 58.073 56.287 0.178 0.000 0.931 544 K CB -0.173 32.416 32.500 0.147 0.000 0.714 544 K HN 0.085 nan 8.250 nan 0.000 0.440 545 F N 0.995 121.050 119.950 0.175 0.000 2.206 545 F HA -0.015 4.504 4.527 -0.015 0.000 0.298 545 F C 1.970 177.928 175.800 0.263 0.000 1.090 545 F CA 1.123 59.258 58.000 0.225 0.000 1.323 545 F CB -0.373 38.761 39.000 0.223 0.000 1.028 545 F HN 0.075 nan 8.300 nan 0.000 0.492 546 A N 0.100 123.078 122.820 0.263 0.000 1.972 546 A HA -0.034 4.277 4.320 -0.015 0.000 0.219 546 A C 2.374 179.982 177.584 0.040 0.000 1.169 546 A CA 1.634 53.756 52.037 0.142 0.000 0.635 546 A CB -1.395 17.763 19.000 0.263 0.000 0.810 546 A HN 0.430 nan 8.150 nan 0.000 0.446 547 A N -1.627 121.240 122.820 0.079 0.000 1.929 547 A HA -0.022 4.289 4.320 -0.015 0.000 0.216 547 A C 2.091 179.686 177.584 0.020 0.000 1.176 547 A CA 1.437 53.504 52.037 0.050 0.000 0.628 547 A CB -0.744 18.304 19.000 0.079 0.000 0.816 547 A HN 0.708 nan 8.150 nan 0.000 0.444 548 Y N 0.601 120.850 120.300 -0.085 0.000 2.181 548 Y HA -0.171 4.371 4.550 -0.015 0.000 0.288 548 Y C 1.898 177.702 175.900 -0.160 0.000 1.146 548 Y CA 1.787 59.820 58.100 -0.111 0.000 1.164 548 Y CB -0.257 38.135 38.460 -0.114 0.000 0.982 548 Y HN 0.214 nan 8.280 nan 0.000 0.515 549 L N -0.083 120.951 121.223 -0.315 0.000 2.046 549 L HA -0.206 4.125 4.340 -0.015 0.000 0.208 549 L C 2.495 179.234 176.870 -0.219 0.000 1.077 549 L CA 1.698 56.344 54.840 -0.324 0.000 0.747 549 L CB -0.532 41.326 42.059 -0.335 0.000 0.896 549 L HN 0.301 nan 8.230 nan 0.000 0.432 550 E N -0.180 119.908 120.200 -0.186 0.000 2.051 550 E HA -0.215 4.126 4.350 -0.015 0.000 0.192 550 E C 2.339 178.836 176.600 -0.172 0.000 0.991 550 E CA 1.067 57.359 56.400 -0.179 0.000 0.799 550 E CB 0.006 29.627 29.700 -0.133 0.000 0.748 550 E HN 0.417 nan 8.360 nan 0.000 0.449 551 R N 0.652 121.048 120.500 -0.174 0.000 2.088 551 R HA -0.158 4.173 4.340 -0.015 0.000 0.232 551 R C 2.127 178.289 176.300 -0.230 0.000 1.136 551 R CA 1.471 57.471 56.100 -0.166 0.000 0.926 551 R CB -0.153 30.070 30.300 -0.130 0.000 0.837 551 R HN 0.007 nan 8.270 nan 0.000 0.429 552 E N -1.481 118.501 120.200 -0.363 0.000 2.442 552 E HA -0.032 4.309 4.350 -0.015 0.000 0.195 552 E C 0.101 176.319 176.600 -0.636 0.000 1.030 552 E CA 0.677 56.788 56.400 -0.482 0.000 0.869 552 E CB 0.468 29.810 29.700 -0.596 0.000 0.857 552 E HN 0.356 nan 8.360 nan 0.000 0.505 553 Y N -0.776 119.369 120.300 -0.259 0.000 2.728 553 Y HA 0.202 4.743 4.550 -0.015 0.000 0.256 553 Y C -0.106 175.700 175.900 -0.157 0.000 1.112 553 Y CA -0.593 57.401 58.100 -0.176 0.000 1.240 553 Y CB 0.910 39.267 38.460 -0.172 0.000 1.337 553 Y HN -0.272 nan 8.280 nan 0.000 0.559 554 K N 0.466 120.814 120.400 -0.086 0.000 3.071 554 K HA -0.143 4.168 4.320 -0.015 0.000 0.262 554 K C -0.512 175.965 176.600 -0.204 0.000 0.977 554 K CA 0.915 57.117 56.287 -0.143 0.000 0.721 554 K CB -2.324 30.123 32.500 -0.089 0.000 1.293 554 K HN 0.260 nan 8.250 nan 0.000 0.475 555 V N -1.711 118.076 119.914 -0.213 0.000 2.555 555 V HA 0.486 4.597 4.120 -0.015 0.000 0.302 555 V C 0.442 176.375 176.094 -0.269 0.000 1.038 555 V CA -0.914 61.261 62.300 -0.207 0.000 0.887 555 V CB 2.147 33.916 31.823 -0.090 0.000 0.991 555 V HN 0.218 nan 8.190 nan 0.000 0.434 556 H N 5.605 124.664 119.070 -0.019 0.000 2.562 556 H HA 0.655 5.202 4.556 -0.015 0.000 0.314 556 H C -0.157 175.160 175.328 -0.018 0.000 1.079 556 H CA -0.013 56.028 56.048 -0.012 0.000 1.349 556 H CB 1.819 31.581 29.762 -0.001 0.000 1.432 556 H HN 0.893 nan 8.280 nan 0.000 0.479 557 I N 0.036 120.667 120.570 0.102 0.000 2.828 557 I HA 0.361 4.523 4.170 -0.015 0.000 0.302 557 I C -0.171 176.028 176.117 0.135 0.000 1.101 557 I CA -1.275 60.075 61.300 0.084 0.000 1.031 557 I CB 2.207 40.218 38.000 0.018 0.000 1.231 557 I HN 0.208 nan 8.210 nan 0.000 0.427 558 N N 5.314 124.096 118.700 0.137 0.000 2.401 558 N HA 0.369 5.100 4.740 -0.015 0.000 0.255 558 N C -1.984 173.665 175.510 0.232 0.000 1.110 558 N CA -2.419 50.717 53.050 0.143 0.000 0.949 558 N CB 1.007 39.550 38.487 0.093 0.000 1.110 558 N HN 0.410 nan 8.380 nan 0.000 0.490 559 P HA 0.065 nan 4.420 nan 0.000 0.237 559 P C 0.117 177.402 177.300 -0.026 0.000 1.178 559 P CA 0.847 64.020 63.100 0.122 0.000 0.766 559 P CB 0.223 31.975 31.700 0.086 0.000 0.876 560 N N -0.704 118.017 118.700 0.034 0.000 2.446 560 N HA -0.017 4.714 4.740 -0.015 0.000 0.179 560 N C 0.555 176.094 175.510 0.048 0.000 1.054 560 N CA -0.019 53.044 53.050 0.022 0.000 0.905 560 N CB -0.012 38.499 38.487 0.041 0.000 0.973 560 N HN 0.173 nan 8.380 nan 0.000 0.448 561 S N 0.557 116.298 115.700 0.068 0.000 2.600 561 S HA 0.127 4.588 4.470 -0.015 0.000 0.265 561 S C 0.078 174.634 174.600 -0.073 0.000 1.325 561 S CA -0.788 57.433 58.200 0.034 0.000 1.002 561 S CB 1.069 64.320 63.200 0.084 0.000 0.921 561 S HN 0.183 nan 8.310 nan 0.000 0.554 562 L N 2.145 123.153 121.223 -0.358 0.000 2.418 562 L HA 0.310 4.641 4.340 -0.015 0.000 0.274 562 L C -0.982 175.852 176.870 -0.061 0.000 1.135 562 L CA -0.581 53.866 54.840 -0.655 0.000 0.870 562 L CB -0.232 41.162 42.059 -1.108 0.000 1.154 562 L HN 0.622 nan 8.230 nan 0.000 0.462 563 F N 3.817 123.635 119.950 -0.221 0.000 2.439 563 F HA 0.158 4.676 4.527 -0.013 0.000 0.356 563 F C 0.466 176.206 175.800 -0.100 0.000 1.161 563 F CA -0.850 57.093 58.000 -0.094 0.000 1.151 563 F CB 0.044 39.039 39.000 -0.008 0.000 1.222 563 F HN 0.421 nan 8.300 nan 0.000 0.558 564 D N 3.986 124.390 120.400 0.006 0.000 2.443 564 D HA 0.288 4.919 4.640 -0.015 0.000 0.221 564 D C -1.016 175.229 176.300 -0.093 0.000 1.097 564 D CA -0.097 53.864 54.000 -0.065 0.000 0.865 564 D CB 1.044 41.789 40.800 -0.091 0.000 1.034 564 D HN 0.270 nan 8.370 nan 0.000 0.511 565 V N 2.437 122.281 119.914 -0.116 0.000 2.495 565 V HA 0.559 4.670 4.120 -0.015 0.000 0.298 565 V C -1.098 174.849 176.094 -0.245 0.000 1.031 565 V CA -0.693 61.522 62.300 -0.143 0.000 0.871 565 V CB 1.771 33.573 31.823 -0.036 0.000 0.988 565 V HN 0.486 nan 8.190 nan 0.000 0.432 566 Q N 4.496 124.168 119.800 -0.214 0.000 2.401 566 Q HA 0.649 4.980 4.340 -0.015 0.000 0.260 566 Q C -1.260 174.574 176.000 -0.275 0.000 1.034 566 Q CA -0.627 55.035 55.803 -0.236 0.000 0.737 566 Q CB 1.799 30.427 28.738 -0.182 0.000 1.227 566 Q HN 1.117 nan 8.270 nan 0.000 0.488 567 V N 1.813 121.550 119.914 -0.296 0.000 2.487 567 V HA 0.871 4.982 4.120 -0.015 0.000 0.298 567 V C -0.877 174.928 176.094 -0.480 0.000 1.028 567 V CA -0.581 61.360 62.300 -0.599 0.000 0.860 567 V CB 1.326 32.562 31.823 -0.979 0.000 0.991 567 V HN 0.803 nan 8.190 nan 0.000 0.427 568 K N 2.532 122.682 120.400 -0.417 0.000 3.076 568 K HA 0.336 4.647 4.320 -0.015 0.000 0.314 568 K C -1.321 175.270 176.600 -0.014 0.000 1.113 568 K CA -1.108 55.128 56.287 -0.084 0.000 0.860 568 K CB 0.842 33.289 32.500 -0.088 0.000 1.435 568 K HN 0.508 nan 8.250 nan 0.000 0.374 569 R N 1.013 121.557 120.500 0.074 0.000 2.698 569 R HA 0.140 4.471 4.340 -0.015 0.000 0.266 569 R C 0.422 176.740 176.300 0.031 0.000 1.026 569 R CA -0.270 55.887 56.100 0.095 0.000 1.102 569 R CB -0.165 30.217 30.300 0.137 0.000 0.978 569 R HN 0.462 nan 8.270 nan 0.000 0.436 570 I N 4.279 124.879 120.570 0.050 0.000 2.436 570 I HA 0.075 4.236 4.170 -0.015 0.000 0.289 570 I C 0.815 176.910 176.117 -0.036 0.000 1.083 570 I CA 0.584 61.867 61.300 -0.028 0.000 1.372 570 I CB -0.513 37.460 38.000 -0.044 0.000 1.408 570 I HN 0.332 nan 8.210 nan 0.000 0.516 571 H N 5.234 124.191 119.070 -0.187 0.000 3.012 571 H HA 0.252 4.799 4.556 -0.015 0.000 0.367 571 H C 0.435 175.627 175.328 -0.226 0.000 1.211 571 H CA -0.399 55.571 56.048 -0.129 0.000 1.139 571 H CB 2.048 31.728 29.762 -0.136 0.000 1.838 571 H HN 0.571 nan 8.280 nan 0.000 0.550 572 E N 1.834 122.031 120.200 -0.005 0.000 2.085 572 E HA -0.236 4.106 4.350 -0.015 0.000 0.194 572 E C 1.420 177.860 176.600 -0.267 0.000 0.994 572 E CA 1.785 58.187 56.400 0.003 0.000 0.801 572 E CB -0.075 29.769 29.700 0.241 0.000 0.743 572 E HN 0.583 nan 8.360 nan 0.000 0.453 573 Y N 0.861 120.832 120.300 -0.549 0.000 2.333 573 Y HA -0.059 4.482 4.550 -0.015 0.000 0.290 573 Y C 1.493 177.153 175.900 -0.400 0.000 1.144 573 Y CA 0.934 58.418 58.100 -1.027 0.000 1.228 573 Y CB -0.130 37.673 38.460 -1.095 0.000 0.985 573 Y HN -0.206 nan 8.280 nan 0.000 0.542 574 K N 0.679 120.633 120.400 -0.742 0.000 2.459 574 K HA 0.089 4.400 4.320 -0.015 0.000 0.193 574 K C 0.180 176.619 176.600 -0.269 0.000 1.030 574 K CA 0.405 56.371 56.287 -0.536 0.000 1.026 574 K CB -0.021 32.138 32.500 -0.568 0.000 0.809 574 K HN 0.240 nan 8.250 nan 0.000 0.504 575 R N 0.340 120.713 120.500 -0.212 0.000 3.422 575 R HA -0.250 4.081 4.340 -0.015 0.000 0.267 575 R C 0.336 176.561 176.300 -0.125 0.000 1.074 575 R CA 0.279 56.302 56.100 -0.128 0.000 0.718 575 R CB -1.903 28.340 30.300 -0.096 0.000 1.157 575 R HN 0.306 nan 8.270 nan 0.000 0.440 576 Q N 0.311 120.034 119.800 -0.129 0.000 2.217 576 Q HA -0.131 4.200 4.340 -0.015 0.000 0.209 576 Q C 2.018 177.971 176.000 -0.078 0.000 0.988 576 Q CA 1.718 57.459 55.803 -0.103 0.000 0.878 576 Q CB -0.057 28.622 28.738 -0.098 0.000 0.909 576 Q HN 0.591 nan 8.270 nan 0.000 0.424 577 L N -0.720 120.459 121.223 -0.072 0.000 2.093 577 L HA -0.167 4.165 4.340 -0.015 0.000 0.208 577 L C 2.030 178.904 176.870 0.006 0.000 1.085 577 L CA 0.479 55.292 54.840 -0.045 0.000 0.755 577 L CB -0.326 41.716 42.059 -0.028 0.000 0.904 577 L HN 0.305 nan 8.230 nan 0.000 0.435 578 L N 0.065 121.283 121.223 -0.007 0.000 2.056 578 L HA -0.228 4.103 4.340 -0.015 0.000 0.207 578 L C 2.024 178.943 176.870 0.083 0.000 1.078 578 L CA 1.890 56.735 54.840 0.009 0.000 0.749 578 L CB -0.787 41.169 42.059 -0.172 0.000 0.901 578 L HN 0.270 nan 8.230 nan 0.000 0.433 579 N N -1.637 117.079 118.700 0.026 0.000 2.069 579 N HA -0.250 4.482 4.740 -0.015 0.000 0.191 579 N C 1.970 177.562 175.510 0.137 0.000 1.031 579 N CA 1.763 54.911 53.050 0.163 0.000 0.852 579 N CB -0.163 38.350 38.487 0.045 0.000 1.018 579 N HN 0.499 nan 8.380 nan 0.000 0.423 580 C N 0.535 119.851 119.300 0.026 0.000 2.401 580 C HA -0.115 4.336 4.460 -0.015 0.000 0.276 580 C C 2.581 177.560 174.990 -0.019 0.000 1.233 580 C CA 0.490 59.477 59.018 -0.052 0.000 1.753 580 C CB -1.304 26.355 27.740 -0.136 0.000 2.029 580 C HN 0.504 nan 8.230 nan 0.000 0.478 581 L N -0.544 120.730 121.223 0.085 0.000 2.056 581 L HA -0.183 4.148 4.340 -0.015 0.000 0.207 581 L C 2.755 179.777 176.870 0.254 0.000 1.078 581 L CA 1.777 56.713 54.840 0.160 0.000 0.749 581 L CB -1.124 41.093 42.059 0.264 0.000 0.901 581 L HN 0.581 nan 8.230 nan 0.000 0.433 582 H N 0.164 119.355 119.070 0.201 0.000 2.319 582 H HA -0.162 4.385 4.556 -0.015 0.000 0.299 582 H C 2.250 177.577 175.328 -0.002 0.000 1.092 582 H CA 2.118 58.200 56.048 0.057 0.000 1.302 582 H CB 0.276 30.002 29.762 -0.059 0.000 1.373 582 H HN 0.087 nan 8.280 nan 0.000 0.497 583 V N 1.500 121.329 119.914 -0.143 0.000 2.282 583 V HA -0.293 3.819 4.120 -0.015 0.000 0.249 583 V C 2.853 178.874 176.094 -0.122 0.000 1.057 583 V CA 2.070 64.253 62.300 -0.195 0.000 1.032 583 V CB -0.546 31.209 31.823 -0.113 0.000 0.645 583 V HN 0.386 nan 8.190 nan 0.000 0.447 584 I N -0.259 120.275 120.570 -0.060 0.000 2.286 584 I HA -0.224 3.937 4.170 -0.015 0.000 0.248 584 I C 2.507 178.675 176.117 0.085 0.000 1.115 584 I CA 1.736 63.067 61.300 0.051 0.000 1.392 584 I CB -0.721 37.278 38.000 -0.001 0.000 1.065 584 I HN 0.330 nan 8.210 nan 0.000 0.418 585 T N 1.237 115.803 114.554 0.020 0.000 2.652 585 T HA -0.178 4.163 4.350 -0.015 0.000 0.267 585 T C 1.883 176.541 174.700 -0.070 0.000 1.039 585 T CA 1.320 63.426 62.100 0.011 0.000 1.153 585 T CB -0.331 68.578 68.868 0.068 0.000 0.863 585 T HN 0.080 nan 8.240 nan 0.000 0.428 586 L N 0.109 121.218 121.223 -0.190 0.000 2.042 586 L HA -0.065 4.266 4.340 -0.015 0.000 0.210 586 L C 2.155 178.983 176.870 -0.069 0.000 1.076 586 L CA 1.606 56.334 54.840 -0.187 0.000 0.749 586 L CB -1.101 40.772 42.059 -0.310 0.000 0.893 586 L HN 0.341 nan 8.230 nan 0.000 0.432 587 Y N 0.469 120.704 120.300 -0.108 0.000 2.145 587 Y HA -0.275 4.266 4.550 -0.015 0.000 0.286 587 Y C 2.467 178.347 175.900 -0.033 0.000 1.145 587 Y CA 1.892 59.967 58.100 -0.041 0.000 1.148 587 Y CB -0.320 38.159 38.460 0.032 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.425 119.079 118.700 -0.076 0.000 2.166 588 N HA -0.155 4.576 4.740 -0.015 0.000 0.186 588 N C 1.897 177.299 175.510 -0.180 0.000 1.019 588 N CA 1.599 54.549 53.050 -0.167 0.000 0.856 588 N CB -0.375 38.076 38.487 -0.060 0.000 0.993 588 N HN 0.450 nan 8.380 nan 0.000 0.426 589 R N 0.351 120.771 120.500 -0.134 0.000 2.092 589 R HA 0.075 4.406 4.340 -0.015 0.000 0.231 589 R C 2.247 178.464 176.300 -0.139 0.000 1.119 589 R CA 0.729 56.759 56.100 -0.118 0.000 0.970 589 R CB -0.252 29.991 30.300 -0.095 0.000 0.864 589 R HN 0.243 nan 8.270 nan 0.000 0.440 590 I N 1.042 121.508 120.570 -0.174 0.000 2.179 590 I HA -0.277 3.884 4.170 -0.015 0.000 0.242 590 I C 2.106 178.103 176.117 -0.199 0.000 1.088 590 I CA 1.259 62.454 61.300 -0.175 0.000 1.357 590 I CB -0.213 37.683 38.000 -0.174 0.000 1.051 590 I HN 0.027 nan 8.210 nan 0.000 0.409 591 K N 0.826 121.042 120.400 -0.307 0.000 2.280 591 K HA -0.198 4.113 4.320 -0.015 0.000 0.202 591 K C 1.981 178.482 176.600 -0.165 0.000 1.047 591 K CA 1.091 57.215 56.287 -0.271 0.000 0.942 591 K CB -0.250 32.010 32.500 -0.400 0.000 0.739 591 K HN 0.356 nan 8.250 nan 0.000 0.457 592 K N 1.187 121.497 120.400 -0.149 0.000 2.044 592 K HA -0.071 4.240 4.320 -0.015 0.000 0.204 592 K C 0.098 176.652 176.600 -0.077 0.000 1.049 592 K CA 1.036 57.263 56.287 -0.101 0.000 0.945 592 K CB 0.342 32.787 32.500 -0.092 0.000 0.724 592 K HN 0.029 nan 8.250 nan 0.000 0.440 593 E N 0.397 120.550 120.200 -0.079 0.000 3.037 593 E HA 0.122 4.463 4.350 -0.015 0.000 0.220 593 E C -2.281 174.284 176.600 -0.058 0.000 1.142 593 E CA -1.695 54.671 56.400 -0.056 0.000 0.888 593 E CB 1.675 31.349 29.700 -0.044 0.000 1.329 593 E HN 0.172 nan 8.360 nan 0.000 0.409 594 P HA -0.124 nan 4.420 nan 0.000 0.218 594 P C 0.124 177.405 177.300 -0.033 0.000 1.149 594 P CA 1.124 64.190 63.100 -0.056 0.000 0.817 594 P CB 0.197 31.868 31.700 -0.049 0.000 0.785 595 N N -1.004 117.686 118.700 -0.017 0.000 2.295 595 N HA 0.040 4.771 4.740 -0.015 0.000 0.221 595 N C 0.434 175.958 175.510 0.022 0.000 1.129 595 N CA -0.106 52.946 53.050 0.004 0.000 0.836 595 N CB 0.111 38.601 38.487 0.004 0.000 1.040 595 N HN -0.008 nan 8.380 nan 0.000 0.494 596 K N 0.932 121.340 120.400 0.014 0.000 2.110 596 K HA 0.205 4.516 4.320 -0.015 0.000 0.263 596 K C -0.934 175.707 176.600 0.069 0.000 0.975 596 K CA -0.657 55.654 56.287 0.041 0.000 0.895 596 K CB 0.871 33.377 32.500 0.009 0.000 1.060 596 K HN -0.035 nan 8.250 nan 0.000 0.448 597 F N 4.055 123.991 119.950 -0.023 0.000 2.456 597 F HA 0.184 4.702 4.527 -0.015 0.000 0.358 597 F C -0.272 175.513 175.800 -0.025 0.000 1.095 597 F CA -0.212 57.776 58.000 -0.021 0.000 1.216 597 F CB 0.570 39.561 39.000 -0.016 0.000 1.125 597 F HN 0.151 nan 8.300 nan 0.000 0.549 598 V N 4.416 123.838 119.914 -0.820 0.000 2.735 598 V HA 0.562 4.673 4.120 -0.015 0.000 0.310 598 V C -0.627 174.859 176.094 -1.014 0.000 1.061 598 V CA -1.208 60.691 62.300 -0.669 0.000 0.913 598 V CB 1.049 32.662 31.823 -0.350 0.000 1.005 598 V HN 0.551 nan 8.190 nan 0.000 0.428 599 V N 5.001 124.583 119.914 -0.553 0.000 2.493 599 V HA 0.179 4.290 4.120 -0.015 0.000 0.292 599 V C -1.807 174.108 176.094 -0.297 0.000 1.016 599 V CA -0.429 61.672 62.300 -0.331 0.000 1.097 599 V CB 0.267 32.027 31.823 -0.106 0.000 0.947 599 V HN 0.906 nan 8.190 nan 0.000 0.479 600 P HA 0.332 nan 4.420 nan 0.000 0.271 600 P C -0.439 176.765 177.300 -0.161 0.000 1.216 600 P CA -0.106 62.895 63.100 -0.165 0.000 0.776 600 P CB 0.548 32.200 31.700 -0.081 0.000 0.881 601 R N 1.017 121.438 120.500 -0.131 0.000 2.686 601 R HA 0.512 4.843 4.340 -0.015 0.000 0.283 601 R C -0.751 175.509 176.300 -0.066 0.000 0.978 601 R CA -0.612 55.416 56.100 -0.121 0.000 0.897 601 R CB 1.929 32.145 30.300 -0.140 0.000 1.192 601 R HN 0.319 nan 8.270 nan 0.000 0.457 602 T N 2.247 116.783 114.554 -0.031 0.000 2.770 602 T HA 0.240 4.581 4.350 -0.015 0.000 0.297 602 T C -0.168 174.451 174.700 -0.135 0.000 0.997 602 T CA -0.466 61.575 62.100 -0.099 0.000 0.949 602 T CB 1.183 69.935 68.868 -0.193 0.000 0.941 602 T HN 0.134 nan 8.240 nan 0.000 0.457 603 V N 5.872 125.712 119.914 -0.122 0.000 2.348 603 V HA 0.397 4.508 4.120 -0.015 0.000 0.270 603 V C 0.024 176.041 176.094 -0.128 0.000 1.037 603 V CA -0.452 61.782 62.300 -0.111 0.000 0.872 603 V CB 0.642 32.415 31.823 -0.083 0.000 1.002 603 V HN 0.870 nan 8.190 nan 0.000 0.464 604 M N 6.586 126.100 119.600 -0.144 0.000 2.167 604 M HA 0.607 5.078 4.480 -0.015 0.000 0.333 604 M C -0.945 175.249 176.300 -0.176 0.000 1.030 604 M CA -0.118 55.088 55.300 -0.157 0.000 0.963 604 M CB 1.865 34.370 32.600 -0.158 0.000 1.589 604 M HN 0.425 nan 8.290 nan 0.000 0.431 605 I N 2.053 122.502 120.570 -0.202 0.000 2.465 605 I HA 0.816 4.978 4.170 -0.015 0.000 0.291 605 I C 0.144 175.941 176.117 -0.534 0.000 1.014 605 I CA -0.624 60.528 61.300 -0.248 0.000 1.093 605 I CB 2.161 40.102 38.000 -0.099 0.000 1.267 605 I HN 0.781 nan 8.210 nan 0.000 0.431 606 G N 3.004 111.455 108.800 -0.582 0.000 2.690 606 G HA2 0.848 4.799 3.960 -0.015 0.000 0.293 606 G HA3 0.848 4.799 3.960 -0.015 0.000 0.293 606 G C -0.999 173.613 174.900 -0.480 0.000 1.399 606 G CA -0.836 43.769 45.100 -0.825 0.000 0.890 606 G HN 0.980 nan 8.290 nan 0.000 0.485 607 G N -0.427 108.240 108.800 -0.222 0.000 2.352 607 G HA2 0.395 4.346 3.960 -0.015 0.000 0.303 607 G HA3 0.395 4.346 3.960 -0.015 0.000 0.303 607 G C -1.259 173.788 174.900 0.245 0.000 1.593 607 G CA -1.050 44.093 45.100 0.072 0.000 0.963 607 G HN 0.599 nan 8.290 nan 0.000 0.685 608 K N 0.041 120.581 120.400 0.233 0.000 2.174 608 K HA 0.709 5.021 4.320 -0.015 0.000 0.275 608 K C 0.404 177.154 176.600 0.251 0.000 1.015 608 K CA -0.052 56.393 56.287 0.264 0.000 0.933 608 K CB 1.852 34.419 32.500 0.112 0.000 1.025 608 K HN 0.855 nan 8.250 nan 0.000 0.463 609 A N 1.640 124.633 122.820 0.288 0.000 2.312 609 A HA 0.610 4.921 4.320 -0.015 0.000 0.326 609 A C -0.388 177.388 177.584 0.321 0.000 1.172 609 A CA -0.717 51.438 52.037 0.196 0.000 0.821 609 A CB 0.924 19.953 19.000 0.049 0.000 1.166 609 A HN 0.781 nan 8.150 nan 0.000 0.493 610 A N 3.635 126.637 122.820 0.303 0.000 2.520 610 A HA 0.469 4.780 4.320 -0.015 0.000 0.245 610 A C -1.401 176.297 177.584 0.189 0.000 1.072 610 A CA -0.845 51.377 52.037 0.308 0.000 0.761 610 A CB -0.345 18.829 19.000 0.290 0.000 1.004 610 A HN 0.597 nan 8.150 nan 0.000 0.499 611 P HA -0.152 nan 4.420 nan 0.000 0.216 611 P C 1.458 178.763 177.300 0.009 0.000 1.150 611 P CA 2.001 65.066 63.100 -0.057 0.000 0.843 611 P CB 0.177 31.787 31.700 -0.151 0.000 0.787 612 G N -2.921 105.909 108.800 0.049 0.000 2.813 612 G HA2 -0.150 3.801 3.960 -0.015 0.000 0.209 612 G HA3 -0.150 3.801 3.960 -0.015 0.000 0.209 612 G C -0.029 174.919 174.900 0.080 0.000 1.150 612 G CA 0.002 45.126 45.100 0.042 0.000 0.785 612 G HN 0.193 nan 8.290 nan 0.000 0.535 613 Y N 2.152 122.414 120.300 -0.063 0.000 2.650 613 Y HA 0.232 4.773 4.550 -0.015 0.000 0.343 613 Y C 1.368 177.255 175.900 -0.021 0.000 1.078 613 Y CA -1.974 56.067 58.100 -0.099 0.000 1.356 613 Y CB -0.596 37.783 38.460 -0.135 0.000 1.204 613 Y HN 0.339 nan 8.280 nan 0.000 0.508 614 H N 4.152 123.339 119.070 0.195 0.000 2.319 614 H HA -0.195 4.352 4.556 -0.015 0.000 0.299 614 H C 1.661 177.016 175.328 0.044 0.000 1.092 614 H CA 2.240 58.343 56.048 0.091 0.000 1.302 614 H CB 0.370 30.175 29.762 0.072 0.000 1.373 614 H HN 0.631 nan 8.280 nan 0.000 0.497 615 M N 1.116 120.709 119.600 -0.013 0.000 2.108 615 M HA -0.084 4.387 4.480 -0.015 0.000 0.261 615 M C 2.538 178.599 176.300 -0.399 0.000 1.066 615 M CA 1.837 57.036 55.300 -0.168 0.000 1.107 615 M CB -0.711 31.923 32.600 0.056 0.000 1.356 615 M HN 0.342 nan 8.290 nan 0.000 0.406 616 A N -0.380 121.961 122.820 -0.797 0.000 1.933 616 A HA -0.192 4.119 4.320 -0.015 0.000 0.218 616 A C 2.193 179.573 177.584 -0.340 0.000 1.175 616 A CA 1.863 53.465 52.037 -0.725 0.000 0.628 616 A CB -0.648 17.717 19.000 -1.059 0.000 0.814 616 A HN 0.589 nan 8.150 nan 0.000 0.444 617 K N -1.137 119.119 120.400 -0.239 0.000 2.097 617 K HA -0.053 4.258 4.320 -0.015 0.000 0.205 617 K C 1.920 178.479 176.600 -0.069 0.000 1.050 617 K CA 1.239 57.478 56.287 -0.081 0.000 0.938 617 K CB -0.223 32.295 32.500 0.031 0.000 0.718 617 K HN 0.340 nan 8.250 nan 0.000 0.442 618 M N 0.584 120.095 119.600 -0.148 0.000 2.159 618 M HA -0.093 4.378 4.480 -0.015 0.000 0.263 618 M C 2.100 178.331 176.300 -0.115 0.000 1.063 618 M CA 1.416 56.661 55.300 -0.092 0.000 1.110 618 M CB -0.657 31.871 32.600 -0.121 0.000 1.374 618 M HN 0.130 nan 8.290 nan 0.000 0.411 619 I N -0.327 120.138 120.570 -0.175 0.000 2.252 619 I HA -0.292 3.869 4.170 -0.015 0.000 0.245 619 I C 2.296 178.285 176.117 -0.213 0.000 1.102 619 I CA 0.998 62.186 61.300 -0.186 0.000 1.385 619 I CB -0.294 37.596 38.000 -0.184 0.000 1.064 619 I HN 0.168 nan 8.210 nan 0.000 0.414 620 I N 0.741 121.166 120.570 -0.243 0.000 2.127 620 I HA -0.324 3.837 4.170 -0.015 0.000 0.241 620 I C 2.628 178.466 176.117 -0.464 0.000 1.075 620 I CA 1.364 62.425 61.300 -0.399 0.000 1.334 620 I CB -0.336 37.398 38.000 -0.443 0.000 1.040 620 I HN 0.155 nan 8.210 nan 0.000 0.405 621 K N 1.480 121.613 120.400 -0.445 0.000 2.063 621 K HA -0.170 4.142 4.320 -0.015 0.000 0.208 621 K C 2.048 178.492 176.600 -0.259 0.000 1.048 621 K CA 1.532 57.486 56.287 -0.554 0.000 0.928 621 K CB -0.591 31.275 32.500 -1.056 0.000 0.713 621 K HN 0.233 nan 8.250 nan 0.000 0.442 622 L N 0.385 121.477 121.223 -0.218 0.000 2.012 622 L HA -0.195 4.136 4.340 -0.015 0.000 0.210 622 L C 2.225 178.864 176.870 -0.385 0.000 1.073 622 L CA 1.822 56.361 54.840 -0.503 0.000 0.748 622 L CB -0.330 41.352 42.059 -0.628 0.000 0.891 622 L HN 0.285 nan 8.230 nan 0.000 0.431 623 I N -0.208 120.191 120.570 -0.284 0.000 2.163 623 I HA -0.356 3.805 4.170 -0.015 0.000 0.243 623 I C 2.636 178.659 176.117 -0.157 0.000 1.085 623 I CA 2.031 63.220 61.300 -0.185 0.000 1.347 623 I CB -0.638 37.338 38.000 -0.040 0.000 1.044 623 I HN 0.440 nan 8.210 nan 0.000 0.408 624 T N -0.841 113.593 114.554 -0.200 0.000 2.821 624 T HA -0.070 4.271 4.350 -0.015 0.000 0.267 624 T C 1.978 176.620 174.700 -0.095 0.000 1.046 624 T CA 0.943 62.956 62.100 -0.145 0.000 1.139 624 T CB -0.488 68.252 68.868 -0.213 0.000 0.871 624 T HN 0.347 nan 8.240 nan 0.000 0.454 625 A N 1.468 124.230 122.820 -0.096 0.000 1.930 625 A HA 0.146 4.457 4.320 -0.015 0.000 0.217 625 A C 2.375 179.984 177.584 0.043 0.000 1.175 625 A CA 1.238 53.287 52.037 0.021 0.000 0.627 625 A CB -0.826 18.286 19.000 0.187 0.000 0.815 625 A HN 0.583 nan 8.150 nan 0.000 0.443 626 I N -0.252 120.247 120.570 -0.120 0.000 2.179 626 I HA -0.222 3.939 4.170 -0.015 0.000 0.242 626 I C 2.747 178.824 176.117 -0.065 0.000 1.088 626 I CA 1.193 62.404 61.300 -0.149 0.000 1.357 626 I CB -0.679 37.112 38.000 -0.347 0.000 1.051 626 I HN 0.393 nan 8.210 nan 0.000 0.409 627 G N 0.476 109.230 108.800 -0.077 0.000 2.476 627 G HA2 -0.294 3.657 3.960 -0.015 0.000 0.218 627 G HA3 -0.294 3.657 3.960 -0.015 0.000 0.218 627 G C 1.291 176.165 174.900 -0.044 0.000 1.164 627 G CA 1.191 46.251 45.100 -0.067 0.000 0.768 627 G HN 0.292 nan 8.290 nan 0.000 0.560 628 D N -0.008 120.409 120.400 0.028 0.000 2.133 628 D HA -0.101 4.530 4.640 -0.015 0.000 0.195 628 D C 2.723 179.116 176.300 0.155 0.000 0.997 628 D CA 0.887 54.968 54.000 0.136 0.000 0.840 628 D CB -0.336 40.526 40.800 0.102 0.000 0.947 628 D HN 0.236 nan 8.370 nan 0.000 0.452 629 V N 0.274 120.219 119.914 0.051 0.000 2.346 629 V HA -0.153 3.958 4.120 -0.015 0.000 0.244 629 V C 2.600 178.636 176.094 -0.098 0.000 1.037 629 V CA 0.864 63.143 62.300 -0.035 0.000 1.029 629 V CB -0.217 31.558 31.823 -0.079 0.000 0.663 629 V HN 0.037 nan 8.190 nan 0.000 0.454 630 V N 0.776 120.585 119.914 -0.174 0.000 2.358 630 V HA -0.166 3.945 4.120 -0.015 0.000 0.246 630 V C 2.057 178.104 176.094 -0.077 0.000 1.047 630 V CA 1.859 64.056 62.300 -0.172 0.000 1.035 630 V CB -0.803 30.917 31.823 -0.172 0.000 0.658 630 V HN 0.569 nan 8.190 nan 0.000 0.452 631 N N -0.328 118.261 118.700 -0.184 0.000 2.515 631 N HA -0.065 4.667 4.740 -0.015 0.000 0.185 631 N C 1.097 176.331 175.510 -0.461 0.000 1.109 631 N CA 0.805 53.661 53.050 -0.324 0.000 0.903 631 N CB -0.222 38.010 38.487 -0.426 0.000 0.969 631 N HN 0.691 nan 8.380 nan 0.000 0.450 632 H N -1.610 117.469 119.070 0.015 0.000 2.923 632 H HA 0.182 4.729 4.556 -0.014 0.000 0.268 632 H C -0.472 174.873 175.328 0.028 0.000 1.148 632 H CA -0.515 55.542 56.048 0.015 0.000 1.146 632 H CB 0.745 30.507 29.762 0.000 0.000 1.607 632 H HN -0.006 nan 8.280 nan 0.000 0.566 633 D N 2.098 122.575 120.400 0.128 0.000 2.325 633 D HA 0.026 4.657 4.640 -0.015 0.000 0.251 633 D C -1.634 174.724 176.300 0.096 0.000 1.196 633 D CA -1.914 52.171 54.000 0.142 0.000 0.866 633 D CB 1.660 42.618 40.800 0.262 0.000 1.101 633 D HN 0.114 nan 8.370 nan 0.000 0.476 634 P HA -0.114 nan 4.420 nan 0.000 0.218 634 P C 1.566 178.885 177.300 0.031 0.000 1.149 634 P CA 0.356 63.483 63.100 0.044 0.000 0.817 634 P CB 0.389 32.109 31.700 0.033 0.000 0.785 635 V N -0.680 119.253 119.914 0.032 0.000 2.626 635 V HA -0.155 3.956 4.120 -0.015 0.000 0.252 635 V C 2.417 178.511 176.094 0.001 0.000 1.067 635 V CA 1.411 63.716 62.300 0.008 0.000 1.081 635 V CB -0.938 30.879 31.823 -0.010 0.000 0.686 635 V HN -0.011 nan 8.190 nan 0.000 0.468 636 V N -0.270 119.662 119.914 0.030 0.000 2.323 636 V HA 0.166 4.277 4.120 -0.015 0.000 0.244 636 V C 1.728 177.826 176.094 0.006 0.000 1.041 636 V CA 1.571 63.887 62.300 0.027 0.000 1.025 636 V CB -1.099 30.787 31.823 0.105 0.000 0.656 636 V HN 0.730 nan 8.190 nan 0.000 0.451 637 G N 1.545 110.353 108.800 0.012 0.000 2.528 637 G HA2 -0.326 3.626 3.960 -0.015 0.000 0.262 637 G HA3 -0.326 3.626 3.960 -0.015 0.000 0.262 637 G C 0.175 175.071 174.900 -0.006 0.000 1.200 637 G CA 0.332 45.433 45.100 0.001 0.000 0.951 637 G HN 0.660 nan 8.290 nan 0.000 0.566 638 D N 0.387 120.783 120.400 -0.008 0.000 2.395 638 D HA 0.186 4.817 4.640 -0.015 0.000 0.226 638 D C 1.761 178.050 176.300 -0.019 0.000 1.146 638 D CA 0.078 54.075 54.000 -0.006 0.000 0.830 638 D CB -0.065 40.739 40.800 0.008 0.000 0.958 638 D HN 0.607 nan 8.370 nan 0.000 0.501 639 R N -0.754 119.724 120.500 -0.036 0.000 2.173 639 R HA 0.227 4.558 4.340 -0.015 0.000 0.208 639 R C -0.055 176.198 176.300 -0.078 0.000 1.035 639 R CA 0.124 56.179 56.100 -0.076 0.000 1.004 639 R CB 0.392 30.628 30.300 -0.105 0.000 0.917 639 R HN 0.097 nan 8.270 nan 0.000 0.462 640 L N 0.875 122.070 121.223 -0.047 0.000 2.476 640 L HA 0.392 4.723 4.340 -0.015 0.000 0.269 640 L C -1.503 175.343 176.870 -0.040 0.000 0.965 640 L CA -0.517 54.296 54.840 -0.046 0.000 0.845 640 L CB 1.750 43.795 42.059 -0.023 0.000 1.259 640 L HN -0.170 nan 8.230 nan 0.000 0.403 641 R N 3.846 124.312 120.500 -0.058 0.000 2.621 641 R HA 0.772 5.103 4.340 -0.015 0.000 0.292 641 R C -1.569 174.680 176.300 -0.086 0.000 0.969 641 R CA -0.785 55.272 56.100 -0.070 0.000 0.887 641 R CB 2.403 32.664 30.300 -0.065 0.000 1.180 641 R HN 0.419 nan 8.270 nan 0.000 0.450 642 V N 5.128 124.988 119.914 -0.089 0.000 2.407 642 V HA 0.454 4.565 4.120 -0.015 0.000 0.291 642 V C -0.271 175.780 176.094 -0.071 0.000 1.018 642 V CA -0.712 61.537 62.300 -0.085 0.000 0.842 642 V CB 1.822 33.593 31.823 -0.088 0.000 0.996 642 V HN 0.488 nan 8.190 nan 0.000 0.426 643 I N 4.815 125.342 120.570 -0.071 0.000 2.465 643 I HA 0.410 4.571 4.170 -0.015 0.000 0.291 643 I C -0.584 175.518 176.117 -0.025 0.000 1.014 643 I CA -0.748 60.519 61.300 -0.056 0.000 1.093 643 I CB 1.775 39.714 38.000 -0.101 0.000 1.267 643 I HN 0.546 nan 8.210 nan 0.000 0.431 644 F N 6.757 126.644 119.950 -0.105 0.000 2.404 644 F HA 0.415 4.933 4.527 -0.014 0.000 0.358 644 F C -0.118 175.621 175.800 -0.101 0.000 1.120 644 F CA -0.432 57.510 58.000 -0.097 0.000 1.144 644 F CB 0.676 39.624 39.000 -0.087 0.000 1.133 644 F HN 0.264 nan 8.300 nan 0.000 0.495 645 L N 6.340 127.170 121.223 -0.655 0.000 2.342 645 L HA 0.188 4.520 4.340 -0.015 0.000 0.285 645 L C 0.347 176.969 176.870 -0.412 0.000 1.095 645 L CA -0.123 54.466 54.840 -0.419 0.000 0.843 645 L CB 0.439 42.340 42.059 -0.264 0.000 1.201 645 L HN 0.638 nan 8.230 nan 0.000 0.445 646 E N 4.032 124.133 120.200 -0.165 0.000 2.373 646 E HA -0.044 4.297 4.350 -0.015 0.000 0.267 646 E C 0.400 177.073 176.600 0.121 0.000 1.032 646 E CA -0.369 56.084 56.400 0.088 0.000 0.889 646 E CB 0.469 30.226 29.700 0.094 0.000 0.984 646 E HN 0.547 nan 8.360 nan 0.000 0.425 647 N N 2.535 121.366 118.700 0.218 0.000 2.738 647 N HA -0.278 4.453 4.740 -0.015 0.000 0.249 647 N C -1.580 174.030 175.510 0.167 0.000 1.047 647 N CA 0.545 53.717 53.050 0.203 0.000 0.707 647 N CB -1.651 36.968 38.487 0.220 0.000 0.937 647 N HN 0.503 nan 8.380 nan 0.000 0.545 648 Y N 1.572 121.889 120.300 0.027 0.000 2.620 648 Y HA 0.217 4.758 4.550 -0.015 0.000 0.330 648 Y C 1.127 177.052 175.900 0.043 0.000 1.186 648 Y CA 0.702 58.804 58.100 0.003 0.000 1.467 648 Y CB 0.340 38.767 38.460 -0.055 0.000 1.262 648 Y HN 0.382 nan 8.280 nan 0.000 0.550 649 R N 2.378 122.505 120.500 -0.621 0.000 2.756 649 R HA 0.402 4.733 4.340 -0.015 0.000 0.273 649 R C -0.691 175.280 176.300 -0.548 0.000 1.030 649 R CA -0.578 55.288 56.100 -0.390 0.000 0.887 649 R CB 0.260 30.519 30.300 -0.067 0.000 1.274 649 R HN 0.365 nan 8.270 nan 0.000 0.461 650 V N 1.087 120.712 119.914 -0.482 0.000 2.287 650 V HA -0.287 3.824 4.120 -0.015 0.000 0.248 650 V C 2.601 178.558 176.094 -0.228 0.000 1.053 650 V CA 2.817 64.878 62.300 -0.398 0.000 1.027 650 V CB -0.828 30.715 31.823 -0.467 0.000 0.646 650 V HN 0.921 nan 8.190 nan 0.000 0.447 651 S N 0.139 115.730 115.700 -0.181 0.000 2.382 651 S HA -0.201 4.260 4.470 -0.015 0.000 0.228 651 S C 1.946 176.484 174.600 -0.103 0.000 1.027 651 S CA 1.754 59.876 58.200 -0.131 0.000 0.991 651 S CB -0.572 62.581 63.200 -0.078 0.000 0.823 651 S HN 0.385 nan 8.310 nan 0.000 0.469 652 L N 2.030 123.200 121.223 -0.087 0.000 2.109 652 L HA 0.293 4.624 4.340 -0.015 0.000 0.207 652 L C 2.733 179.606 176.870 0.006 0.000 1.086 652 L CA 1.447 56.280 54.840 -0.012 0.000 0.760 652 L CB -1.342 40.767 42.059 0.082 0.000 0.910 652 L HN 0.361 nan 8.230 nan 0.000 0.437 653 A N -0.738 122.055 122.820 -0.044 0.000 1.940 653 A HA -0.258 4.053 4.320 -0.015 0.000 0.219 653 A C 2.150 179.782 177.584 0.079 0.000 1.176 653 A CA 1.938 54.031 52.037 0.093 0.000 0.631 653 A CB -0.639 18.408 19.000 0.078 0.000 0.814 653 A HN 0.599 nan 8.150 nan 0.000 0.446 654 E N -0.565 119.656 120.200 0.036 0.000 2.265 654 E HA -0.159 4.182 4.350 -0.015 0.000 0.196 654 E C 1.906 178.461 176.600 -0.076 0.000 0.996 654 E CA 1.211 57.590 56.400 -0.034 0.000 0.832 654 E CB -0.035 29.555 29.700 -0.182 0.000 0.756 654 E HN 0.643 nan 8.360 nan 0.000 0.491 655 K N -0.058 120.280 120.400 -0.103 0.000 2.141 655 K HA 0.028 4.339 4.320 -0.015 0.000 0.202 655 K C 2.134 178.544 176.600 -0.316 0.000 1.045 655 K CA 0.438 56.647 56.287 -0.129 0.000 0.971 655 K CB -0.023 32.413 32.500 -0.107 0.000 0.795 655 K HN -0.056 nan 8.250 nan 0.000 0.459 656 V N 1.876 121.509 119.914 -0.468 0.000 2.548 656 V HA -0.133 3.978 4.120 -0.015 0.000 0.249 656 V C 1.864 177.712 176.094 -0.410 0.000 1.055 656 V CA 1.264 63.069 62.300 -0.824 0.000 1.065 656 V CB -0.181 31.261 31.823 -0.635 0.000 0.681 656 V HN 0.242 nan 8.190 nan 0.000 0.462 657 I N 0.651 121.031 120.570 -0.317 0.000 2.179 657 I HA -0.125 4.036 4.170 -0.015 0.000 0.242 657 I C -0.195 175.796 176.117 -0.210 0.000 1.088 657 I CA 1.636 62.675 61.300 -0.435 0.000 1.357 657 I CB -1.522 36.084 38.000 -0.657 0.000 1.051 657 I HN 0.353 nan 8.210 nan 0.000 0.409 658 P HA -0.141 nan 4.420 nan 0.000 0.221 658 P C 1.028 178.323 177.300 -0.008 0.000 1.145 658 P CA 1.379 64.451 63.100 -0.047 0.000 0.795 658 P CB -0.001 31.680 31.700 -0.032 0.000 0.775 659 A N -1.204 121.598 122.820 -0.030 0.000 2.218 659 A HA 0.428 4.739 4.320 -0.015 0.000 0.209 659 A C 1.201 178.899 177.584 0.191 0.000 1.168 659 A CA 0.203 52.286 52.037 0.077 0.000 0.804 659 A CB -0.721 18.351 19.000 0.121 0.000 0.834 659 A HN 0.206 nan 8.150 nan 0.000 0.482 660 A N -0.126 122.799 122.820 0.175 0.000 2.354 660 A HA 0.475 4.787 4.320 -0.015 0.000 0.269 660 A C 0.349 178.089 177.584 0.260 0.000 1.109 660 A CA -0.185 52.021 52.037 0.282 0.000 0.800 660 A CB 0.363 19.618 19.000 0.425 0.000 1.045 660 A HN 0.274 nan 8.150 nan 0.000 0.489 661 D N 0.439 120.996 120.400 0.261 0.000 2.394 661 D HA 0.122 4.753 4.640 -0.015 0.000 0.226 661 D C 0.002 176.516 176.300 0.357 0.000 0.990 661 D CA 0.726 54.933 54.000 0.346 0.000 0.902 661 D CB 0.331 41.268 40.800 0.228 0.000 1.038 661 D HN 0.357 nan 8.370 nan 0.000 0.499 662 L N 1.138 122.458 121.223 0.160 0.000 2.376 662 L HA 0.284 4.615 4.340 -0.015 0.000 0.275 662 L C -0.856 175.903 176.870 -0.185 0.000 0.987 662 L CA -0.292 54.564 54.840 0.026 0.000 0.828 662 L CB 2.114 44.164 42.059 -0.016 0.000 1.249 662 L HN -0.195 nan 8.230 nan 0.000 0.409 663 S N 4.394 119.897 115.700 -0.329 0.000 2.422 663 S HA 0.313 4.774 4.470 -0.015 0.000 0.308 663 S C -0.347 173.990 174.600 -0.439 0.000 1.097 663 S CA -0.657 57.102 58.200 -0.734 0.000 1.099 663 S CB 0.550 63.267 63.200 -0.806 0.000 0.976 663 S HN 0.554 nan 8.310 nan 0.000 0.471 664 E N 4.198 124.150 120.200 -0.412 0.000 2.044 664 E HA 0.186 4.527 4.350 -0.015 0.000 0.282 664 E C -0.493 176.001 176.600 -0.177 0.000 1.031 664 E CA -0.364 55.917 56.400 -0.198 0.000 0.824 664 E CB 0.911 30.524 29.700 -0.146 0.000 1.076 664 E HN 0.614 nan 8.360 nan 0.000 0.395 665 Q N 2.838 122.591 119.800 -0.078 0.000 2.965 665 Q HA 0.268 4.599 4.340 -0.015 0.000 0.288 665 Q C 0.626 176.621 176.000 -0.009 0.000 0.974 665 Q CA -0.135 55.633 55.803 -0.057 0.000 0.849 665 Q CB 0.165 28.878 28.738 -0.042 0.000 1.280 665 Q HN 0.606 nan 8.270 nan 0.000 0.441 666 I N -1.822 118.729 120.570 -0.033 0.000 3.569 666 I HA 0.270 4.431 4.170 -0.015 0.000 0.334 666 I C 0.411 176.489 176.117 -0.064 0.000 1.570 666 I CA -0.710 60.590 61.300 -0.000 0.000 1.082 666 I CB 0.519 38.512 38.000 -0.012 0.000 1.323 666 I HN -0.003 nan 8.210 nan 0.000 0.489 667 S N 0.492 116.152 115.700 -0.067 0.000 2.568 667 S HA 0.166 4.627 4.470 -0.015 0.000 0.282 667 S C 0.581 175.168 174.600 -0.020 0.000 1.338 667 S CA -0.245 57.936 58.200 -0.032 0.000 1.045 667 S CB 0.235 63.467 63.200 0.054 0.000 0.873 667 S HN 0.393 nan 8.310 nan 0.000 0.516 668 T N 2.978 117.551 114.554 0.031 0.000 2.871 668 T HA 0.368 4.709 4.350 -0.015 0.000 0.296 668 T C 0.783 175.493 174.700 0.016 0.000 0.998 668 T CA 0.238 62.359 62.100 0.037 0.000 1.162 668 T CB -0.119 68.835 68.868 0.144 0.000 0.947 668 T HN 1.035 nan 8.240 nan 0.000 0.536 669 A N 2.810 125.607 122.820 -0.038 0.000 2.584 669 A HA 0.449 4.760 4.320 -0.015 0.000 0.239 669 A C 1.653 179.228 177.584 -0.015 0.000 1.043 669 A CA 0.299 52.310 52.037 -0.044 0.000 0.756 669 A CB -0.842 18.117 19.000 -0.067 0.000 0.963 669 A HN 1.756 nan 8.150 nan 0.000 0.511 670 G N 1.172 109.962 108.800 -0.017 0.000 2.179 670 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.220 670 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.220 670 G C 0.880 175.763 174.900 -0.029 0.000 0.990 670 G CA 1.085 46.177 45.100 -0.014 0.000 0.646 670 G HN 2.007 nan 8.290 nan 0.000 0.517 671 T N -2.378 112.152 114.554 -0.040 0.000 3.038 671 T HA 0.412 4.754 4.350 -0.015 0.000 0.244 671 T C 0.734 175.257 174.700 -0.295 0.000 1.016 671 T CA 1.062 63.064 62.100 -0.163 0.000 1.098 671 T CB 0.543 69.359 68.868 -0.087 0.000 0.954 671 T HN 0.259 nan 8.240 nan 0.000 0.469 672 E N 1.603 121.771 120.200 -0.053 0.000 2.052 672 E HA 0.651 4.992 4.350 -0.015 0.000 0.283 672 E C 1.147 177.691 176.600 -0.092 0.000 1.071 672 E CA 0.121 56.536 56.400 0.025 0.000 0.851 672 E CB 0.832 30.610 29.700 0.129 0.000 1.066 672 E HN 0.370 nan 8.360 nan 0.000 0.396 673 A N 3.450 126.142 122.820 -0.212 0.000 1.892 673 A HA -0.213 4.099 4.320 -0.015 0.000 0.218 673 A C 2.004 179.459 177.584 -0.214 0.000 1.188 673 A CA 2.264 54.043 52.037 -0.430 0.000 0.631 673 A CB -0.303 18.194 19.000 -0.839 0.000 0.822 673 A HN 0.607 nan 8.150 nan 0.000 0.447 674 S N -3.724 111.911 115.700 -0.108 0.000 3.624 674 S HA 0.450 4.911 4.470 -0.015 0.000 0.244 674 S C 0.749 175.339 174.600 -0.016 0.000 1.115 674 S CA 1.464 59.648 58.200 -0.027 0.000 0.820 674 S CB -0.130 63.079 63.200 0.015 0.000 0.964 674 S HN 2.264 nan 8.310 nan 0.000 0.508 675 G N 0.386 109.181 108.800 -0.007 0.000 2.722 675 G HA2 -0.077 3.874 3.960 -0.015 0.000 0.686 675 G HA3 -0.077 3.874 3.960 -0.015 0.000 0.686 675 G C 0.254 175.136 174.900 -0.030 0.000 1.282 675 G CA 0.440 45.532 45.100 -0.013 0.000 0.817 675 G HN 1.291 nan 8.290 nan 0.000 0.605 676 T N -1.730 112.792 114.554 -0.054 0.000 3.010 676 T HA 0.382 4.723 4.350 -0.015 0.000 0.253 676 T C 2.421 177.022 174.700 -0.166 0.000 0.939 676 T CA 1.273 63.312 62.100 -0.101 0.000 0.910 676 T CB 0.189 68.989 68.868 -0.114 0.000 1.226 676 T HN 1.922 nan 8.240 nan 0.000 0.508 677 G N 3.327 112.056 108.800 -0.119 0.000 2.469 677 G HA2 -0.337 3.614 3.960 -0.015 0.000 0.219 677 G HA3 -0.337 3.614 3.960 -0.015 0.000 0.219 677 G C 1.457 176.407 174.900 0.084 0.000 1.150 677 G CA 1.377 46.437 45.100 -0.068 0.000 0.763 677 G HN 0.846 nan 8.290 nan 0.000 0.561 678 N N -0.026 118.703 118.700 0.049 0.000 2.060 678 N HA -0.126 4.605 4.740 -0.015 0.000 0.195 678 N C 1.455 176.970 175.510 0.007 0.000 1.028 678 N CA 0.810 53.886 53.050 0.044 0.000 0.861 678 N CB -0.370 38.096 38.487 -0.034 0.000 1.029 678 N HN 0.362 nan 8.380 nan 0.000 0.428 682 M N 0.355 120.034 119.600 0.132 0.000 2.108 682 M HA -0.180 4.291 4.480 -0.015 0.000 0.261 682 M C 2.001 178.344 176.300 0.072 0.000 1.066 682 M CA 1.868 57.210 55.300 0.070 0.000 1.107 682 M CB -0.077 32.562 32.600 0.065 0.000 1.356 682 M HN 0.324 nan 8.290 nan 0.000 0.406 683 L N 0.542 121.807 121.223 0.070 0.000 2.217 683 L HA -0.061 4.270 4.340 -0.015 0.000 0.211 683 L C 1.326 178.235 176.870 0.066 0.000 1.107 683 L CA 1.620 56.509 54.840 0.082 0.000 0.783 683 L CB -0.606 41.512 42.059 0.099 0.000 0.919 683 L HN 0.329 nan 8.230 nan 0.000 0.442 684 N N -0.199 118.529 118.700 0.047 0.000 2.235 684 N HA 0.178 4.909 4.740 -0.015 0.000 0.209 684 N C 0.813 176.351 175.510 0.048 0.000 1.122 684 N CA 0.791 53.863 53.050 0.036 0.000 0.845 684 N CB 0.595 39.080 38.487 -0.003 0.000 1.004 684 N HN 0.401 nan 8.380 nan 0.000 0.499 685 G N 0.539 109.372 108.800 0.054 0.000 2.140 685 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.211 685 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.211 685 G C -0.026 174.930 174.900 0.094 0.000 1.013 685 G CA 0.087 45.217 45.100 0.050 0.000 0.705 685 G HN 0.506 nan 8.290 nan 0.000 0.508 686 A N -0.207 122.679 122.820 0.110 0.000 2.312 686 A HA 0.870 5.181 4.320 -0.015 0.000 0.328 686 A C 0.464 178.034 177.584 -0.023 0.000 1.158 686 A CA -0.589 51.530 52.037 0.137 0.000 0.821 686 A CB 0.934 20.087 19.000 0.254 0.000 1.170 686 A HN 0.723 nan 8.150 nan 0.000 0.490 687 L N 0.966 122.135 121.223 -0.090 0.000 2.399 687 L HA 0.406 4.738 4.340 -0.015 0.000 0.266 687 L C 0.197 176.940 176.870 -0.212 0.000 1.114 687 L CA -0.283 54.402 54.840 -0.257 0.000 0.804 687 L CB 1.448 43.273 42.059 -0.391 0.000 1.146 687 L HN 0.684 nan 8.230 nan 0.000 0.451 688 T N 3.135 117.461 114.554 -0.380 0.000 2.771 688 T HA 0.430 4.771 4.350 -0.015 0.000 0.281 688 T C -0.300 174.369 174.700 -0.051 0.000 0.982 688 T CA -0.251 61.665 62.100 -0.307 0.000 0.978 688 T CB 1.346 69.927 68.868 -0.479 0.000 0.930 688 T HN 0.342 nan 8.240 nan 0.000 0.447 689 I N 3.184 123.773 120.570 0.031 0.000 2.321 689 I HA 0.694 4.855 4.170 -0.015 0.000 0.291 689 I C 0.178 176.459 176.117 0.273 0.000 0.998 689 I CA 0.146 61.561 61.300 0.192 0.000 1.227 689 I CB 0.301 38.330 38.000 0.048 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 4.027 113.069 108.800 0.403 0.000 2.601 690 G HA2 0.431 4.383 3.960 -0.015 0.000 0.291 690 G HA3 0.431 4.383 3.960 -0.015 0.000 0.291 690 G C -0.877 174.002 174.900 -0.035 0.000 1.456 690 G CA -0.441 44.806 45.100 0.245 0.000 0.804 690 G HN 0.597 nan 8.290 nan 0.000 0.499 691 T N -1.122 113.259 114.554 -0.288 0.000 2.849 691 T HA 0.501 4.843 4.350 -0.015 0.000 0.284 691 T C 0.769 175.354 174.700 -0.193 0.000 1.004 691 T CA -0.673 61.161 62.100 -0.443 0.000 1.021 691 T CB 1.035 69.646 68.868 -0.427 0.000 1.013 691 T HN 0.272 nan 8.240 nan 0.000 0.527 692 M N 2.903 122.398 119.600 -0.175 0.000 3.254 692 M HA 0.331 4.802 4.480 -0.015 0.000 0.257 692 M C -0.468 175.778 176.300 -0.089 0.000 1.490 692 M CA 0.025 55.259 55.300 -0.110 0.000 1.620 692 M CB -1.689 30.854 32.600 -0.094 0.000 1.157 692 M HN 0.742 nan 8.290 nan 0.000 0.541 693 D N 0.274 120.629 120.400 -0.075 0.000 2.732 693 D HA 0.664 5.296 4.640 -0.015 0.000 0.229 693 D C 0.652 176.931 176.300 -0.035 0.000 1.152 693 D CA 0.720 54.689 54.000 -0.051 0.000 0.854 693 D CB 1.729 42.500 40.800 -0.048 0.000 1.590 693 D HN 0.623 nan 8.370 nan 0.000 0.468 694 G N 1.747 110.535 108.800 -0.019 0.000 2.627 694 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.312 694 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.312 694 G C 1.079 175.975 174.900 -0.007 0.000 1.299 694 G CA 1.170 46.264 45.100 -0.010 0.000 0.989 694 G HN 1.079 nan 8.290 nan 0.000 0.547 695 A N -0.476 122.336 122.820 -0.012 0.000 2.119 695 A HA 0.064 4.375 4.320 -0.015 0.000 0.217 695 A C 2.144 179.673 177.584 -0.092 0.000 1.153 695 A CA 1.901 53.930 52.037 -0.014 0.000 0.692 695 A CB -0.481 18.504 19.000 -0.026 0.000 0.799 695 A HN 0.656 nan 8.150 nan 0.000 0.458 696 N N 0.625 119.272 118.700 -0.088 0.000 2.091 696 N HA -0.175 4.556 4.740 -0.015 0.000 0.193 696 N C 1.582 176.984 175.510 -0.180 0.000 1.021 696 N CA 1.691 54.682 53.050 -0.099 0.000 0.862 696 N CB -0.724 37.743 38.487 -0.032 0.000 1.018 696 N HN 0.288 nan 8.380 nan 0.000 0.429 697 V N 1.135 120.980 119.914 -0.116 0.000 2.332 697 V HA -0.220 3.891 4.120 -0.015 0.000 0.248 697 V C 1.973 177.999 176.094 -0.112 0.000 1.055 697 V CA 1.738 63.969 62.300 -0.116 0.000 1.038 697 V CB -0.483 31.303 31.823 -0.062 0.000 0.651 697 V HN 0.370 nan 8.190 nan 0.000 0.450 698 E N -0.741 119.446 120.200 -0.022 0.000 2.158 698 E HA -0.098 4.244 4.350 -0.015 0.000 0.191 698 E C 2.209 178.918 176.600 0.182 0.000 0.982 698 E CA 0.897 57.361 56.400 0.106 0.000 0.823 698 E CB -0.154 29.697 29.700 0.252 0.000 0.766 698 E HN 0.542 nan 8.360 nan 0.000 0.468 699 M N 0.424 120.007 119.600 -0.029 0.000 2.132 699 M HA -0.129 4.342 4.480 -0.015 0.000 0.263 699 M C 2.464 178.419 176.300 -0.575 0.000 1.065 699 M CA 1.487 56.666 55.300 -0.201 0.000 1.122 699 M CB -0.144 32.247 32.600 -0.348 0.000 1.365 699 M HN 0.139 nan 8.290 nan 0.000 0.411 700 A N -0.040 122.201 122.820 -0.965 0.000 1.902 700 A HA -0.217 4.095 4.320 -0.015 0.000 0.217 700 A C 1.985 179.332 177.584 -0.395 0.000 1.181 700 A CA 1.950 53.362 52.037 -1.041 0.000 0.623 700 A CB -0.803 17.757 19.000 -0.733 0.000 0.818 700 A HN 0.581 nan 8.150 nan 0.000 0.443 701 E N -0.342 119.719 120.200 -0.232 0.000 2.077 701 E HA -0.223 4.118 4.350 -0.015 0.000 0.193 701 E C 1.786 178.352 176.600 -0.057 0.000 0.989 701 E CA 1.322 57.658 56.400 -0.107 0.000 0.800 701 E CB -0.085 29.576 29.700 -0.066 0.000 0.746 701 E HN 0.565 nan 8.360 nan 0.000 0.452 702 E N 0.093 120.285 120.200 -0.013 0.000 2.072 702 E HA -0.138 4.203 4.350 -0.015 0.000 0.191 702 E C 1.881 178.508 176.600 0.045 0.000 0.985 702 E CA 1.149 57.572 56.400 0.038 0.000 0.801 702 E CB -0.181 29.600 29.700 0.134 0.000 0.750 702 E HN 0.375 nan 8.360 nan 0.000 0.452 703 A N 0.463 123.314 122.820 0.051 0.000 2.072 703 A HA 0.323 4.634 4.320 -0.015 0.000 0.216 703 A C 1.070 178.691 177.584 0.061 0.000 1.156 703 A CA 1.065 53.169 52.037 0.111 0.000 0.701 703 A CB -0.061 19.115 19.000 0.293 0.000 0.816 703 A HN 0.256 nan 8.150 nan 0.000 0.458 704 G N -0.545 108.257 108.800 0.002 0.000 3.039 704 G HA2 -0.117 3.834 3.960 -0.015 0.000 0.686 704 G HA3 -0.117 3.834 3.960 -0.015 0.000 0.686 704 G C 0.009 174.905 174.900 -0.007 0.000 1.066 704 G CA 0.004 45.098 45.100 -0.011 0.000 0.774 704 G HN 0.266 nan 8.290 nan 0.000 0.591 705 E N 1.012 121.190 120.200 -0.036 0.000 2.204 705 E HA -0.140 4.201 4.350 -0.015 0.000 0.195 705 E C 1.979 178.568 176.600 -0.017 0.000 0.990 705 E CA 1.659 58.042 56.400 -0.028 0.000 0.821 705 E CB 0.089 29.766 29.700 -0.038 0.000 0.750 705 E HN 0.765 nan 8.360 nan 0.000 0.477 706 E N 0.627 120.805 120.200 -0.037 0.000 2.418 706 E HA -0.065 4.276 4.350 -0.015 0.000 0.197 706 E C 0.884 177.401 176.600 -0.139 0.000 1.026 706 E CA 0.520 56.872 56.400 -0.079 0.000 0.862 706 E CB -0.007 29.659 29.700 -0.057 0.000 0.799 706 E HN 0.134 nan 8.360 nan 0.000 0.518 707 N N -0.317 118.340 118.700 -0.072 0.000 2.214 707 N HA 0.157 4.888 4.740 -0.015 0.000 0.214 707 N C -0.960 174.482 175.510 -0.114 0.000 1.132 707 N CA 0.070 53.053 53.050 -0.112 0.000 0.856 707 N CB 0.471 38.951 38.487 -0.011 0.000 1.020 707 N HN 0.046 nan 8.380 nan 0.000 0.509 708 F N -0.419 119.329 119.950 -0.336 0.000 2.576 708 F HA 0.407 4.925 4.527 -0.016 0.000 0.313 708 F C -0.593 175.000 175.800 -0.345 0.000 1.078 708 F CA -1.024 56.818 58.000 -0.263 0.000 0.921 708 F CB 1.323 40.256 39.000 -0.111 0.000 1.232 708 F HN -0.213 nan 8.300 nan 0.000 0.459 709 F N 4.555 124.547 119.950 0.070 0.000 2.395 709 F HA 0.419 4.938 4.527 -0.014 0.000 0.347 709 F C 0.003 175.936 175.800 0.222 0.000 1.157 709 F CA -0.362 57.696 58.000 0.095 0.000 1.272 709 F CB -0.117 38.889 39.000 0.010 0.000 1.607 709 F HN 0.080 nan 8.300 nan 0.000 0.571 710 I N 3.617 124.380 120.570 0.321 0.000 2.428 710 I HA 0.301 4.462 4.170 -0.015 0.000 0.289 710 I C -0.217 176.084 176.117 0.306 0.000 1.019 710 I CA -0.466 60.987 61.300 0.255 0.000 1.351 710 I CB 0.672 38.744 38.000 0.120 0.000 1.412 710 I HN 0.311 nan 8.210 nan 0.000 0.513 711 F N 3.857 123.871 119.950 0.105 0.000 2.685 711 F HA 0.935 5.453 4.527 -0.015 0.000 0.315 711 F C -0.020 175.820 175.800 0.066 0.000 1.126 711 F CA -0.652 57.403 58.000 0.090 0.000 0.950 711 F CB 1.013 40.083 39.000 0.117 0.000 1.360 711 F HN 0.756 nan 8.300 nan 0.000 0.469 712 G N 1.026 109.855 108.800 0.048 0.000 0.000 712 G HA2 -0.050 3.901 3.960 -0.015 0.000 0.000 712 G HA3 -0.050 3.901 3.960 -0.015 0.000 0.000 712 G C -0.978 173.879 174.900 -0.072 0.000 0.000 712 G CA -0.674 44.392 45.100 -0.055 0.000 0.000 712 G HN 0.950 nan 8.290 nan 0.000 0.000 713 M N 1.005 120.576 119.600 -0.049 0.000 2.248 713 M HA 0.218 4.690 4.480 -0.015 0.000 0.345 713 M C 1.254 177.511 176.300 -0.072 0.000 1.243 713 M CA 0.030 55.312 55.300 -0.030 0.000 1.090 713 M CB 0.312 32.905 32.600 -0.012 0.000 1.683 713 M HN 0.520 nan 8.290 nan 0.000 0.450 714 R N 1.840 122.313 120.500 -0.045 0.000 2.541 714 R HA 0.248 4.579 4.340 -0.015 0.000 0.263 714 R C 1.233 177.512 176.300 -0.036 0.000 1.112 714 R CA -0.556 55.515 56.100 -0.049 0.000 1.170 714 R CB -0.039 30.240 30.300 -0.035 0.000 1.167 714 R HN 0.566 nan 8.270 nan 0.000 0.582 715 V N 1.563 121.455 119.914 -0.036 0.000 2.317 715 V HA -0.295 3.816 4.120 -0.015 0.000 0.251 715 V C 1.907 177.990 176.094 -0.019 0.000 1.065 715 V CA 2.144 64.427 62.300 -0.028 0.000 1.049 715 V CB -0.448 31.357 31.823 -0.030 0.000 0.651 715 V HN 0.643 nan 8.190 nan 0.000 0.450 716 E N -0.188 120.002 120.200 -0.015 0.000 2.106 716 E HA -0.172 4.169 4.350 -0.015 0.000 0.192 716 E C 1.974 178.577 176.600 0.005 0.000 0.984 716 E CA 1.286 57.682 56.400 -0.007 0.000 0.806 716 E CB -0.315 29.381 29.700 -0.006 0.000 0.750 716 E HN 0.624 nan 8.360 nan 0.000 0.458 717 D N -0.036 120.369 120.400 0.007 0.000 2.144 717 D HA -0.100 4.531 4.640 -0.015 0.000 0.200 717 D C 1.953 178.269 176.300 0.027 0.000 0.978 717 D CA 0.823 54.838 54.000 0.025 0.000 0.833 717 D CB 0.024 40.841 40.800 0.029 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.831 121.748 119.914 0.006 0.000 2.307 718 V HA -0.207 3.904 4.120 -0.015 0.000 0.245 718 V C 1.978 178.074 176.094 0.004 0.000 1.045 718 V CA 1.648 63.945 62.300 -0.005 0.000 1.024 718 V CB -0.400 31.410 31.823 -0.022 0.000 0.651 718 V HN 0.018 nan 8.190 nan 0.000 0.449 719 D N -0.080 120.322 120.400 0.002 0.000 2.123 719 D HA -0.168 4.463 4.640 -0.015 0.000 0.196 719 D C 2.402 178.714 176.300 0.020 0.000 0.992 719 D CA 1.306 55.309 54.000 0.005 0.000 0.833 719 D CB -0.264 40.535 40.800 -0.002 0.000 0.954 719 D HN 0.342 nan 8.370 nan 0.000 0.455 720 R N 0.053 120.570 120.500 0.028 0.000 2.083 720 R HA -0.035 4.296 4.340 -0.015 0.000 0.237 720 R C 2.518 178.854 176.300 0.060 0.000 1.137 720 R CA 0.592 56.717 56.100 0.041 0.000 0.951 720 R CB -0.408 29.918 30.300 0.044 0.000 0.851 720 R HN 0.194 nan 8.270 nan 0.000 0.434 721 L N 0.574 121.843 121.223 0.077 0.000 2.083 721 L HA -0.211 4.120 4.340 -0.015 0.000 0.209 721 L C 1.499 178.437 176.870 0.112 0.000 1.083 721 L CA 1.311 56.224 54.840 0.122 0.000 0.752 721 L CB -0.267 41.884 42.059 0.154 0.000 0.899 721 L HN 0.244 nan 8.230 nan 0.000 0.433 722 D N -0.541 119.899 120.400 0.068 0.000 2.144 722 D HA -0.200 4.431 4.640 -0.015 0.000 0.199 722 D C 2.221 178.552 176.300 0.051 0.000 0.984 722 D CA 1.090 55.122 54.000 0.053 0.000 0.834 722 D CB 0.015 40.825 40.800 0.018 0.000 0.955 722 D HN 0.425 nan 8.370 nan 0.000 0.465 723 Q N 0.101 119.927 119.800 0.044 0.000 2.020 723 Q HA -0.110 4.221 4.340 -0.015 0.000 0.202 723 Q C 2.298 178.325 176.000 0.044 0.000 0.982 723 Q CA 1.055 56.880 55.803 0.037 0.000 0.838 723 Q CB -0.043 28.713 28.738 0.030 0.000 0.899 723 Q HN 0.124 nan 8.270 nan 0.000 0.423 724 R N -0.107 120.426 120.500 0.056 0.000 2.096 724 R HA -0.063 4.268 4.340 -0.015 0.000 0.235 724 R C -0.091 176.249 176.300 0.065 0.000 1.127 724 R CA 1.081 57.216 56.100 0.058 0.000 0.968 724 R CB -0.039 30.303 30.300 0.071 0.000 0.861 724 R HN 0.325 nan 8.270 nan 0.000 0.440 725 G N -0.659 108.194 108.800 0.089 0.000 3.355 725 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.686 725 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.686 725 G C -1.346 173.648 174.900 0.157 0.000 1.097 725 G CA -0.334 44.828 45.100 0.102 0.000 0.881 725 G HN 0.285 nan 8.290 nan 0.000 0.550 726 Y N 3.184 123.517 120.300 0.057 0.000 2.480 726 Y HA 0.540 5.082 4.550 -0.015 0.000 0.341 726 Y C 0.367 176.323 175.900 0.093 0.000 1.031 726 Y CA -0.986 57.167 58.100 0.088 0.000 1.295 726 Y CB 0.988 39.481 38.460 0.055 0.000 1.162 726 Y HN 0.590 nan 8.280 nan 0.000 0.523 727 N N 5.002 123.516 118.700 -0.309 0.000 2.621 727 N HA 0.328 5.059 4.740 -0.015 0.000 0.237 727 N C 0.413 175.688 175.510 -0.392 0.000 0.997 727 N CA 0.312 53.179 53.050 -0.304 0.000 0.918 727 N CB 1.013 39.434 38.487 -0.110 0.000 1.122 727 N HN 0.779 nan 8.380 nan 0.000 0.510 728 A N 2.815 125.286 122.820 -0.581 0.000 1.940 728 A HA -0.221 4.090 4.320 -0.015 0.000 0.219 728 A C 1.905 179.613 177.584 0.207 0.000 1.176 728 A CA 1.626 53.547 52.037 -0.194 0.000 0.631 728 A CB -0.518 18.309 19.000 -0.288 0.000 0.814 728 A HN 0.713 nan 8.150 nan 0.000 0.446 729 Q N 0.220 120.041 119.800 0.036 0.000 2.112 729 Q HA -0.252 4.079 4.340 -0.015 0.000 0.206 729 Q C 1.890 177.965 176.000 0.126 0.000 0.987 729 Q CA 2.380 58.229 55.803 0.076 0.000 0.858 729 Q CB -0.386 28.349 28.738 -0.005 0.000 0.905 729 Q HN 0.778 nan 8.270 nan 0.000 0.420 730 E N -1.336 118.875 120.200 0.019 0.000 2.086 730 E HA -0.270 4.072 4.350 -0.015 0.000 0.200 730 E C 1.601 178.125 176.600 -0.128 0.000 1.012 730 E CA 1.728 58.061 56.400 -0.112 0.000 0.812 730 E CB -0.288 29.240 29.700 -0.286 0.000 0.743 730 E HN 0.616 nan 8.360 nan 0.000 0.453 731 Y N -1.132 119.233 120.300 0.107 0.000 2.200 731 Y HA -0.192 4.350 4.550 -0.015 0.000 0.290 731 Y C 2.252 178.146 175.900 -0.010 0.000 1.137 731 Y CA 1.496 59.645 58.100 0.081 0.000 1.163 731 Y CB -0.791 37.769 38.460 0.167 0.000 0.988 731 Y HN 0.232 nan 8.280 nan 0.000 0.518 732 Y N 1.379 121.707 120.300 0.048 0.000 2.165 732 Y HA -0.293 4.248 4.550 -0.015 0.000 0.286 732 Y C 1.815 177.684 175.900 -0.053 0.000 1.155 732 Y CA 1.923 59.980 58.100 -0.071 0.000 1.164 732 Y CB -0.382 38.093 38.460 0.025 0.000 0.978 732 Y HN 0.090 nan 8.280 nan 0.000 0.513 733 D N -0.411 120.067 120.400 0.131 0.000 2.149 733 D HA -0.096 4.535 4.640 -0.015 0.000 0.201 733 D C 1.912 178.179 176.300 -0.054 0.000 0.972 733 D CA 1.280 55.303 54.000 0.037 0.000 0.835 733 D CB -0.114 40.730 40.800 0.073 0.000 0.966 733 D HN 0.477 nan 8.370 nan 0.000 0.476 734 R N -0.244 120.226 120.500 -0.049 0.000 2.290 734 R HA 0.274 4.605 4.340 -0.015 0.000 0.197 734 R C 0.335 176.611 176.300 -0.040 0.000 0.913 734 R CA 0.107 56.179 56.100 -0.046 0.000 1.040 734 R CB 1.063 31.334 30.300 -0.048 0.000 0.992 734 R HN 0.152 nan 8.270 nan 0.000 0.500 735 I N 2.206 122.735 120.570 -0.068 0.000 2.437 735 I HA 0.224 4.385 4.170 -0.015 0.000 0.279 735 I C -1.963 174.064 176.117 -0.150 0.000 1.028 735 I CA -2.331 58.934 61.300 -0.058 0.000 1.142 735 I CB 2.151 40.157 38.000 0.010 0.000 1.266 735 I HN -0.277 nan 8.210 nan 0.000 0.461 736 P HA -0.119 nan 4.420 nan 0.000 0.218 736 P C 1.211 178.423 177.300 -0.147 0.000 1.149 736 P CA 1.206 64.217 63.100 -0.149 0.000 0.817 736 P CB 0.350 31.994 31.700 -0.094 0.000 0.785 737 E N -0.824 119.326 120.200 -0.084 0.000 2.110 737 E HA -0.166 4.175 4.350 -0.015 0.000 0.193 737 E C 1.846 178.359 176.600 -0.145 0.000 0.988 737 E CA 0.719 57.087 56.400 -0.054 0.000 0.804 737 E CB -0.585 29.152 29.700 0.062 0.000 0.745 737 E HN 0.103 nan 8.360 nan 0.000 0.458 738 L N 1.182 122.236 121.223 -0.282 0.000 2.093 738 L HA -0.144 4.187 4.340 -0.015 0.000 0.208 738 L C 2.352 178.966 176.870 -0.427 0.000 1.085 738 L CA 1.614 56.121 54.840 -0.555 0.000 0.755 738 L CB -0.259 41.309 42.059 -0.817 0.000 0.904 738 L HN -0.078 nan 8.230 nan 0.000 0.435 739 R N -0.830 119.405 120.500 -0.443 0.000 2.081 739 R HA -0.239 4.093 4.340 -0.015 0.000 0.235 739 R C 2.392 178.538 176.300 -0.257 0.000 1.131 739 R CA 1.916 57.682 56.100 -0.557 0.000 0.960 739 R CB -0.372 29.503 30.300 -0.708 0.000 0.856 739 R HN 0.623 nan 8.270 nan 0.000 0.436 740 Q N 0.547 120.229 119.800 -0.197 0.000 2.061 740 Q HA -0.204 4.127 4.340 -0.015 0.000 0.204 740 Q C 2.061 178.016 176.000 -0.075 0.000 0.984 740 Q CA 2.169 57.900 55.803 -0.121 0.000 0.846 740 Q CB -0.170 28.498 28.738 -0.117 0.000 0.902 740 Q HN 0.495 nan 8.270 nan 0.000 0.421 741 I N 0.627 121.150 120.570 -0.079 0.000 2.208 741 I HA -0.293 3.869 4.170 -0.015 0.000 0.245 741 I C 2.123 178.267 176.117 0.046 0.000 1.097 741 I CA 0.703 61.994 61.300 -0.015 0.000 1.363 741 I CB -0.336 37.624 38.000 -0.066 0.000 1.051 741 I HN 0.328 nan 8.210 nan 0.000 0.413 742 I N 0.767 121.365 120.570 0.046 0.000 2.226 742 I HA -0.239 3.922 4.170 -0.015 0.000 0.245 742 I C 2.437 178.657 176.117 0.172 0.000 1.100 742 I CA 1.627 63.023 61.300 0.161 0.000 1.374 742 I CB -1.324 36.866 38.000 0.317 0.000 1.057 742 I HN 0.332 nan 8.210 nan 0.000 0.413 743 E N 0.237 120.517 120.200 0.134 0.000 2.150 743 E HA -0.218 4.123 4.350 -0.015 0.000 0.193 743 E C 2.179 178.845 176.600 0.109 0.000 0.985 743 E CA 0.803 57.273 56.400 0.117 0.000 0.814 743 E CB -0.069 29.671 29.700 0.067 0.000 0.752 743 E HN 0.572 nan 8.360 nan 0.000 0.466 744 Q N 0.462 120.314 119.800 0.087 0.000 2.050 744 Q HA -0.138 4.193 4.340 -0.015 0.000 0.202 744 Q C 2.360 178.555 176.000 0.326 0.000 0.980 744 Q CA 1.062 56.939 55.803 0.123 0.000 0.840 744 Q CB -0.062 28.692 28.738 0.027 0.000 0.898 744 Q HN 0.290 nan 8.270 nan 0.000 0.424 745 L N 0.047 121.467 121.223 0.329 0.000 2.012 745 L HA -0.228 4.103 4.340 -0.015 0.000 0.210 745 L C 2.494 179.553 176.870 0.314 0.000 1.073 745 L CA 1.154 56.197 54.840 0.338 0.000 0.748 745 L CB -0.505 41.661 42.059 0.178 0.000 0.891 745 L HN 0.165 nan 8.230 nan 0.000 0.431 746 S N -0.199 115.639 115.700 0.230 0.000 2.356 746 S HA -0.170 4.291 4.470 -0.015 0.000 0.223 746 S C 2.091 176.796 174.600 0.176 0.000 1.032 746 S CA 1.614 59.927 58.200 0.189 0.000 1.005 746 S CB -0.313 62.977 63.200 0.150 0.000 0.867 746 S HN 0.618 nan 8.310 nan 0.000 0.449 747 S N 0.497 116.301 115.700 0.174 0.000 2.522 747 S HA 0.276 4.737 4.470 -0.015 0.000 0.227 747 S C 1.454 176.147 174.600 0.155 0.000 0.986 747 S CA 0.810 59.098 58.200 0.146 0.000 0.929 747 S CB -0.196 63.083 63.200 0.131 0.000 0.769 747 S HN 0.888 nan 8.310 nan 0.000 0.529 748 G N 0.418 109.344 108.800 0.209 0.000 2.131 748 G HA2 -0.282 3.669 3.960 -0.015 0.000 0.223 748 G HA3 -0.282 3.669 3.960 -0.015 0.000 0.223 748 G C 0.198 175.195 174.900 0.162 0.000 0.990 748 G CA 0.123 45.335 45.100 0.188 0.000 0.671 748 G HN 0.515 nan 8.290 nan 0.000 0.521 749 F N 0.327 120.284 119.950 0.011 0.000 2.154 749 F HA 0.121 4.640 4.527 -0.015 0.000 0.301 749 F C 1.912 177.519 175.800 -0.322 0.000 1.087 749 F CA 2.156 60.037 58.000 -0.198 0.000 1.274 749 F CB -0.075 38.719 39.000 -0.343 0.000 1.009 749 F HN 0.187 nan 8.300 nan 0.000 0.485 750 F N -0.452 119.647 119.950 0.249 0.000 2.727 750 F HA 0.193 4.711 4.527 -0.015 0.000 0.302 750 F C 0.672 176.597 175.800 0.208 0.000 1.097 750 F CA 0.307 58.411 58.000 0.173 0.000 1.330 750 F CB -0.139 38.965 39.000 0.174 0.000 1.084 750 F HN -0.036 nan 8.300 nan 0.000 0.578 751 S N -1.948 113.906 115.700 0.256 0.000 2.605 751 S HA 0.302 4.763 4.470 -0.015 0.000 0.142 751 S C -2.478 172.143 174.600 0.034 0.000 1.452 751 S CA -0.960 57.312 58.200 0.120 0.000 1.240 751 S CB 0.783 64.003 63.200 0.033 0.000 1.538 751 S HN -0.173 nan 8.310 nan 0.000 0.394 752 P HA -0.063 nan 4.420 nan 0.000 0.216 752 P C 1.165 178.454 177.300 -0.018 0.000 1.150 752 P CA 1.180 64.258 63.100 -0.037 0.000 0.837 752 P CB 0.109 31.759 31.700 -0.084 0.000 0.786 753 K N -0.777 119.613 120.400 -0.016 0.000 2.167 753 K HA -0.018 4.294 4.320 -0.015 0.000 0.203 753 K C 0.783 177.379 176.600 -0.005 0.000 1.052 753 K CA 0.891 57.172 56.287 -0.010 0.000 0.956 753 K CB -0.051 32.444 32.500 -0.008 0.000 0.735 753 K HN 0.312 nan 8.250 nan 0.000 0.451 754 Q N 0.365 120.159 119.800 -0.010 0.000 2.788 754 Q HA 0.161 4.492 4.340 -0.015 0.000 0.261 754 Q C -2.349 173.639 176.000 -0.020 0.000 1.029 754 Q CA -1.695 54.097 55.803 -0.018 0.000 0.848 754 Q CB 1.419 30.139 28.738 -0.030 0.000 1.185 754 Q HN -0.039 nan 8.270 nan 0.000 0.482 755 P HA -0.195 nan 4.420 nan 0.000 0.221 755 P C 0.561 177.893 177.300 0.054 0.000 1.145 755 P CA 1.296 64.422 63.100 0.042 0.000 0.795 755 P CB 0.208 31.934 31.700 0.044 0.000 0.775 756 D N -1.224 119.191 120.400 0.026 0.000 2.342 756 D HA -0.010 4.621 4.640 -0.015 0.000 0.221 756 D C 1.594 177.891 176.300 -0.005 0.000 1.101 756 D CA -0.230 53.793 54.000 0.037 0.000 0.837 756 D CB -0.678 40.145 40.800 0.038 0.000 0.938 756 D HN 0.025 nan 8.370 nan 0.000 0.508 757 L N -0.032 121.122 121.223 -0.115 0.000 2.043 757 L HA -0.092 4.239 4.340 -0.015 0.000 0.212 757 L C 1.045 177.715 176.870 -0.333 0.000 1.075 757 L CA 1.670 56.324 54.840 -0.310 0.000 0.752 757 L CB -0.616 41.070 42.059 -0.622 0.000 0.891 757 L HN -0.076 nan 8.230 nan 0.000 0.432 758 F N -0.261 119.745 119.950 0.093 0.000 2.645 758 F HA 0.172 4.691 4.527 -0.014 0.000 0.300 758 F C 1.881 177.731 175.800 0.084 0.000 1.115 758 F CA 0.073 58.117 58.000 0.073 0.000 1.355 758 F CB -0.773 38.259 39.000 0.054 0.000 1.026 758 F HN 0.176 nan 8.300 nan 0.000 0.536 759 K N -0.469 120.051 120.400 0.199 0.000 2.147 759 K HA -0.174 4.137 4.320 -0.015 0.000 0.205 759 K C 1.056 177.757 176.600 0.167 0.000 1.049 759 K CA 1.921 58.307 56.287 0.165 0.000 0.936 759 K CB -0.273 32.300 32.500 0.122 0.000 0.722 759 K HN 0.028 nan 8.250 nan 0.000 0.446 760 D N 1.333 121.842 120.400 0.182 0.000 2.144 760 D HA -0.100 4.531 4.640 -0.015 0.000 0.199 760 D C 2.006 178.411 176.300 0.174 0.000 0.984 760 D CA 1.159 55.274 54.000 0.192 0.000 0.834 760 D CB -0.101 40.850 40.800 0.252 0.000 0.955 760 D HN 0.318 nan 8.370 nan 0.000 0.465 761 I N 0.302 120.976 120.570 0.173 0.000 2.163 761 I HA -0.211 3.950 4.170 -0.015 0.000 0.240 761 I C 2.433 178.606 176.117 0.094 0.000 1.081 761 I CA 0.569 61.941 61.300 0.121 0.000 1.353 761 I CB -0.259 37.804 38.000 0.105 0.000 1.054 761 I HN -0.116 nan 8.210 nan 0.000 0.407 762 V N 1.294 121.278 119.914 0.117 0.000 2.287 762 V HA -0.319 3.792 4.120 -0.015 0.000 0.248 762 V C 2.256 178.369 176.094 0.032 0.000 1.053 762 V CA 2.444 64.796 62.300 0.087 0.000 1.027 762 V CB -1.011 30.881 31.823 0.115 0.000 0.646 762 V HN 0.481 nan 8.190 nan 0.000 0.447 763 N N -0.175 118.580 118.700 0.090 0.000 2.069 763 N HA -0.217 4.514 4.740 -0.015 0.000 0.191 763 N C 1.846 177.424 175.510 0.113 0.000 1.031 763 N CA 1.898 55.028 53.050 0.133 0.000 0.852 763 N CB -0.296 38.323 38.487 0.220 0.000 1.018 763 N HN 0.338 nan 8.380 nan 0.000 0.423 764 M N -0.200 119.482 119.600 0.136 0.000 2.086 764 M HA -0.106 4.365 4.480 -0.015 0.000 0.261 764 M C 1.429 177.724 176.300 -0.009 0.000 1.067 764 M CA 1.298 56.684 55.300 0.144 0.000 1.116 764 M CB -0.694 31.993 32.600 0.144 0.000 1.348 764 M HN 0.197 nan 8.290 nan 0.000 0.407 765 L N 0.752 121.913 121.223 -0.104 0.000 2.042 765 L HA -0.227 4.104 4.340 -0.015 0.000 0.210 765 L C 2.501 179.072 176.870 -0.498 0.000 1.076 765 L CA 1.689 56.324 54.840 -0.342 0.000 0.749 765 L CB -1.271 40.594 42.059 -0.325 0.000 0.893 765 L HN 0.343 nan 8.230 nan 0.000 0.432 766 M N -1.688 117.671 119.600 -0.401 0.000 2.200 766 M HA -0.102 4.370 4.480 -0.015 0.000 0.265 766 M C 1.891 177.794 176.300 -0.662 0.000 1.066 766 M CA 1.581 56.542 55.300 -0.565 0.000 1.127 766 M CB -0.910 31.227 32.600 -0.772 0.000 1.379 766 M HN 0.341 nan 8.290 nan 0.000 0.420 767 H N -2.647 116.261 119.070 -0.270 0.000 3.205 767 H HA 0.264 4.811 4.556 -0.015 0.000 0.252 767 H C 0.379 175.342 175.328 -0.608 0.000 1.015 767 H CA 0.395 56.150 56.048 -0.488 0.000 1.192 767 H CB 0.652 29.993 29.762 -0.701 0.000 1.474 767 H HN 0.414 nan 8.280 nan 0.000 0.484 768 H N 0.330 119.453 119.070 0.090 0.000 2.767 768 H HA 0.135 4.682 4.556 -0.015 0.000 0.235 768 H C -0.559 174.793 175.328 0.039 0.000 1.256 768 H CA -0.226 55.865 56.048 0.072 0.000 0.957 768 H CB 1.014 30.822 29.762 0.077 0.000 2.117 768 H HN 0.121 nan 8.280 nan 0.000 0.602 769 D N 1.229 121.694 120.400 0.108 0.000 2.422 769 D HA 0.109 4.740 4.640 -0.015 0.000 0.227 769 D C 1.201 177.456 176.300 -0.074 0.000 1.190 769 D CA -0.280 53.750 54.000 0.049 0.000 0.905 769 D CB 0.545 41.359 40.800 0.024 0.000 1.034 769 D HN 0.175 nan 8.370 nan 0.000 0.507 770 R N 2.220 122.572 120.500 -0.246 0.000 2.237 770 R HA -0.056 4.275 4.340 -0.015 0.000 0.219 770 R C 0.586 176.405 176.300 -0.803 0.000 1.080 770 R CA 0.928 56.660 56.100 -0.613 0.000 0.995 770 R CB 0.098 29.805 30.300 -0.987 0.000 0.875 770 R HN 0.412 nan 8.270 nan 0.000 0.462 771 F N 0.080 119.990 119.950 -0.066 0.000 2.688 771 F HA 0.277 4.795 4.527 -0.015 0.000 0.310 771 F C 0.016 175.697 175.800 -0.199 0.000 1.098 771 F CA -0.688 57.262 58.000 -0.083 0.000 1.228 771 F CB 0.289 39.307 39.000 0.030 0.000 1.042 771 F HN -0.258 nan 8.300 nan 0.000 0.557 772 K N -0.283 119.931 120.400 -0.309 0.000 3.244 772 K HA -0.170 4.141 4.320 -0.015 0.000 0.270 772 K C 0.923 177.409 176.600 -0.189 0.000 1.016 772 K CA 0.216 56.126 56.287 -0.628 0.000 0.754 772 K CB -1.910 30.134 32.500 -0.760 0.000 1.326 772 K HN 0.205 nan 8.250 nan 0.000 0.465 773 V N -0.144 119.744 119.914 -0.044 0.000 2.287 773 V HA -0.291 3.820 4.120 -0.015 0.000 0.248 773 V C 2.038 178.288 176.094 0.260 0.000 1.053 773 V CA 2.166 64.522 62.300 0.093 0.000 1.027 773 V CB -0.493 31.385 31.823 0.093 0.000 0.646 773 V HN 0.395 nan 8.190 nan 0.000 0.447 774 F N 0.818 120.782 119.950 0.023 0.000 2.171 774 F HA -0.079 4.439 4.527 -0.015 0.000 0.300 774 F C 2.478 178.090 175.800 -0.314 0.000 1.090 774 F CA 0.866 58.826 58.000 -0.066 0.000 1.293 774 F CB -1.512 37.464 39.000 -0.039 0.000 1.013 774 F HN 0.162 nan 8.300 nan 0.000 0.486 775 A N -0.715 121.955 122.820 -0.251 0.000 2.070 775 A HA -0.153 4.158 4.320 -0.015 0.000 0.220 775 A C 1.655 179.233 177.584 -0.010 0.000 1.159 775 A CA 1.851 53.642 52.037 -0.409 0.000 0.656 775 A CB -0.518 18.390 19.000 -0.153 0.000 0.800 775 A HN 0.224 nan 8.150 nan 0.000 0.453 776 D N -2.857 117.601 120.400 0.096 0.000 2.369 776 D HA 0.087 4.718 4.640 -0.015 0.000 0.211 776 D C 1.164 177.637 176.300 0.287 0.000 1.077 776 D CA -0.024 54.109 54.000 0.222 0.000 0.842 776 D CB -0.095 40.848 40.800 0.239 0.000 0.947 776 D HN 0.562 nan 8.370 nan 0.000 0.509 777 Y N 2.123 122.508 120.300 0.142 0.000 2.097 777 Y HA -0.205 4.337 4.550 -0.014 0.000 0.282 777 Y C 2.052 178.037 175.900 0.142 0.000 1.152 777 Y CA 1.888 60.079 58.100 0.152 0.000 1.136 777 Y CB 0.105 38.620 38.460 0.092 0.000 0.975 777 Y HN -0.109 nan 8.280 nan 0.000 0.498 778 E N -0.002 120.261 120.200 0.106 0.000 2.038 778 E HA -0.254 4.087 4.350 -0.015 0.000 0.195 778 E C 2.181 178.750 176.600 -0.051 0.000 1.000 778 E CA 1.668 58.059 56.400 -0.014 0.000 0.803 778 E CB -0.195 29.594 29.700 0.148 0.000 0.750 778 E HN 0.639 nan 8.360 nan 0.000 0.448 779 E N -0.256 119.992 120.200 0.079 0.000 2.110 779 E HA -0.202 4.139 4.350 -0.015 0.000 0.193 779 E C 1.917 178.517 176.600 0.001 0.000 0.988 779 E CA 0.747 57.217 56.400 0.116 0.000 0.804 779 E CB -0.130 29.732 29.700 0.270 0.000 0.745 779 E HN 0.266 nan 8.360 nan 0.000 0.458 780 Y N 1.304 121.423 120.300 -0.302 0.000 2.114 780 Y HA -0.239 4.302 4.550 -0.015 0.000 0.284 780 Y C 2.176 177.694 175.900 -0.636 0.000 1.143 780 Y CA 1.066 58.672 58.100 -0.823 0.000 1.135 780 Y CB -0.574 37.441 38.460 -0.742 0.000 0.980 780 Y HN -0.207 nan 8.280 nan 0.000 0.499 781 V N 0.427 119.987 119.914 -0.590 0.000 2.287 781 V HA -0.324 3.788 4.120 -0.015 0.000 0.248 781 V C 2.368 178.228 176.094 -0.390 0.000 1.053 781 V CA 2.374 64.339 62.300 -0.559 0.000 1.027 781 V CB -0.679 30.841 31.823 -0.506 0.000 0.646 781 V HN 0.215 nan 8.190 nan 0.000 0.447 782 K N -0.513 119.727 120.400 -0.266 0.000 2.026 782 K HA -0.184 4.128 4.320 -0.015 0.000 0.208 782 K C 2.256 178.767 176.600 -0.149 0.000 1.048 782 K CA 1.877 58.075 56.287 -0.150 0.000 0.929 782 K CB -1.026 31.435 32.500 -0.066 0.000 0.713 782 K HN 0.553 nan 8.250 nan 0.000 0.439 783 C N 0.825 120.015 119.300 -0.184 0.000 2.425 783 C HA -0.081 4.370 4.460 -0.015 0.000 0.277 783 C C 2.431 177.252 174.990 -0.281 0.000 1.280 783 C CA 0.717 59.660 59.018 -0.125 0.000 1.744 783 C CB -0.721 26.979 27.740 -0.067 0.000 1.989 783 C HN 0.462 nan 8.230 nan 0.000 0.491 784 Q N 0.458 119.943 119.800 -0.524 0.000 2.170 784 Q HA -0.166 4.165 4.340 -0.015 0.000 0.203 784 Q C 2.005 177.806 176.000 -0.332 0.000 0.976 784 Q CA 1.599 57.042 55.803 -0.599 0.000 0.858 784 Q CB -0.384 27.726 28.738 -1.047 0.000 0.907 784 Q HN 0.763 nan 8.270 nan 0.000 0.433 785 E N 0.255 120.322 120.200 -0.223 0.000 2.110 785 E HA -0.142 4.200 4.350 -0.015 0.000 0.193 785 E C 2.051 178.615 176.600 -0.061 0.000 0.988 785 E CA 0.605 56.938 56.400 -0.110 0.000 0.804 785 E CB -0.032 29.623 29.700 -0.075 0.000 0.745 785 E HN 0.268 nan 8.360 nan 0.000 0.458 786 R N 0.468 120.943 120.500 -0.041 0.000 2.148 786 R HA -0.074 4.257 4.340 -0.015 0.000 0.227 786 R C 2.382 178.721 176.300 0.065 0.000 1.103 786 R CA 0.771 56.919 56.100 0.080 0.000 0.983 786 R CB -0.251 30.165 30.300 0.194 0.000 0.874 786 R HN 0.070 nan 8.270 nan 0.000 0.451 787 V N 0.590 120.340 119.914 -0.272 0.000 2.270 787 V HA -0.235 3.876 4.120 -0.015 0.000 0.245 787 V C 2.203 178.289 176.094 -0.013 0.000 1.043 787 V CA 1.960 63.991 62.300 -0.448 0.000 1.014 787 V CB -0.397 31.032 31.823 -0.657 0.000 0.645 787 V HN 0.272 nan 8.190 nan 0.000 0.447 788 S N 0.241 115.900 115.700 -0.069 0.000 2.370 788 S HA -0.216 4.245 4.470 -0.015 0.000 0.226 788 S C 2.217 176.873 174.600 0.094 0.000 1.033 788 S CA 1.501 59.693 58.200 -0.015 0.000 1.011 788 S CB -0.567 62.598 63.200 -0.059 0.000 0.852 788 S HN 0.655 nan 8.310 nan 0.000 0.457 789 A N 1.357 124.239 122.820 0.102 0.000 1.908 789 A HA -0.035 4.276 4.320 -0.015 0.000 0.218 789 A C 2.113 179.814 177.584 0.195 0.000 1.181 789 A CA 1.186 53.304 52.037 0.135 0.000 0.627 789 A CB -0.734 18.336 19.000 0.117 0.000 0.818 789 A HN 0.465 nan 8.150 nan 0.000 0.445 790 L N -2.125 119.277 121.223 0.298 0.000 2.093 790 L HA -0.155 4.176 4.340 -0.015 0.000 0.208 790 L C 2.481 179.619 176.870 0.448 0.000 1.085 790 L CA 1.800 56.892 54.840 0.420 0.000 0.755 790 L CB -0.414 42.017 42.059 0.620 0.000 0.904 790 L HN 0.595 nan 8.230 nan 0.000 0.435 791 Y N 0.975 121.390 120.300 0.192 0.000 2.333 791 Y HA -0.268 4.274 4.550 -0.013 0.000 0.290 791 Y C 2.417 178.245 175.900 -0.120 0.000 1.144 791 Y CA 1.591 59.543 58.100 -0.247 0.000 1.228 791 Y CB -0.042 38.064 38.460 -0.590 0.000 0.985 791 Y HN 0.064 nan 8.280 nan 0.000 0.542 792 K N -0.116 120.331 120.400 0.080 0.000 2.360 792 K HA -0.159 4.152 4.320 -0.015 0.000 0.201 792 K C 0.364 176.953 176.600 -0.019 0.000 1.046 792 K CA 0.923 57.238 56.287 0.046 0.000 0.945 792 K CB -0.123 32.441 32.500 0.107 0.000 0.750 792 K HN 0.053 nan 8.250 nan 0.000 0.464 793 N N 0.216 118.918 118.700 0.002 0.000 2.898 793 N HA 0.141 4.872 4.740 -0.015 0.000 0.245 793 N C -2.430 173.081 175.510 0.001 0.000 1.185 793 N CA -2.264 50.793 53.050 0.011 0.000 0.879 793 N CB 1.107 39.632 38.487 0.063 0.000 1.157 793 N HN -0.195 nan 8.380 nan 0.000 0.503 794 P HA -0.193 nan 4.420 nan 0.000 0.216 794 P C 1.377 178.681 177.300 0.007 0.000 1.154 794 P CA 1.145 64.168 63.100 -0.129 0.000 0.865 794 P CB 0.410 32.014 31.700 -0.159 0.000 0.789 795 R N -0.031 120.476 120.500 0.012 0.000 2.066 795 R HA -0.135 4.196 4.340 -0.015 0.000 0.232 795 R C 1.922 178.259 176.300 0.061 0.000 1.131 795 R CA 1.361 57.479 56.100 0.029 0.000 0.955 795 R CB -0.318 29.991 30.300 0.016 0.000 0.851 795 R HN 0.080 nan 8.270 nan 0.000 0.432 796 E N -0.019 120.229 120.200 0.080 0.000 2.158 796 E HA -0.205 4.136 4.350 -0.015 0.000 0.191 796 E C 1.592 178.263 176.600 0.119 0.000 0.982 796 E CA 0.531 56.982 56.400 0.085 0.000 0.823 796 E CB -0.453 29.295 29.700 0.080 0.000 0.766 796 E HN 0.494 nan 8.360 nan 0.000 0.468 797 W N 2.290 123.585 121.300 -0.009 0.000 2.317 797 W HA -0.228 4.423 4.660 -0.016 0.000 0.318 797 W C 1.656 178.174 176.519 -0.002 0.000 1.227 797 W CA 2.332 59.684 57.345 0.012 0.000 1.269 797 W CB -0.465 28.968 29.460 -0.046 0.000 1.155 797 W HN 0.050 nan 8.180 nan 0.000 0.484 798 T N 1.131 115.806 114.554 0.201 0.000 2.788 798 T HA -0.172 4.170 4.350 -0.015 0.000 0.268 798 T C 1.813 176.509 174.700 -0.008 0.000 1.044 798 T CA 1.744 63.894 62.100 0.082 0.000 1.139 798 T CB -0.331 68.576 68.868 0.066 0.000 0.867 798 T HN 0.192 nan 8.240 nan 0.000 0.454 799 R N 0.450 120.955 120.500 0.008 0.000 2.092 799 R HA 0.110 4.441 4.340 -0.015 0.000 0.231 799 R C 2.492 178.774 176.300 -0.031 0.000 1.119 799 R CA 1.133 57.237 56.100 0.007 0.000 0.970 799 R CB -0.335 29.979 30.300 0.023 0.000 0.864 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.495 120.041 119.600 -0.091 0.000 2.175 800 M HA -0.129 4.342 4.480 -0.015 0.000 0.264 800 M C 1.938 178.132 176.300 -0.177 0.000 1.063 800 M CA 1.352 56.560 55.300 -0.153 0.000 1.119 800 M CB 0.172 32.626 32.600 -0.243 0.000 1.377 800 M HN -0.022 nan 8.290 nan 0.000 0.415 801 V N 1.020 120.801 119.914 -0.221 0.000 2.282 801 V HA -0.330 3.781 4.120 -0.015 0.000 0.249 801 V C 2.214 178.272 176.094 -0.061 0.000 1.057 801 V CA 2.120 64.322 62.300 -0.164 0.000 1.032 801 V CB -0.665 31.082 31.823 -0.127 0.000 0.645 801 V HN 0.513 nan 8.190 nan 0.000 0.447 802 I N -0.743 119.812 120.570 -0.025 0.000 2.286 802 I HA -0.240 3.921 4.170 -0.015 0.000 0.248 802 I C 2.686 178.844 176.117 0.068 0.000 1.115 802 I CA 1.537 62.870 61.300 0.055 0.000 1.392 802 I CB -0.386 37.691 38.000 0.128 0.000 1.065 802 I HN 0.185 nan 8.210 nan 0.000 0.418 803 R N 0.383 120.903 120.500 0.033 0.000 2.148 803 R HA -0.085 4.246 4.340 -0.015 0.000 0.227 803 R C 2.002 178.334 176.300 0.055 0.000 1.103 803 R CA 0.982 57.106 56.100 0.041 0.000 0.983 803 R CB -0.325 29.986 30.300 0.018 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.631 119.351 118.700 0.033 0.000 2.109 804 N HA -0.093 4.639 4.740 -0.015 0.000 0.188 804 N C 1.945 177.510 175.510 0.092 0.000 1.034 804 N CA 1.132 54.223 53.050 0.069 0.000 0.846 804 N CB -0.054 38.425 38.487 -0.014 0.000 1.010 804 N HN 0.108 nan 8.380 nan 0.000 0.425 805 I N 1.691 122.300 120.570 0.065 0.000 2.208 805 I HA -0.255 3.906 4.170 -0.015 0.000 0.245 805 I C 2.467 178.635 176.117 0.084 0.000 1.097 805 I CA 0.984 62.329 61.300 0.076 0.000 1.363 805 I CB -0.358 37.679 38.000 0.061 0.000 1.051 805 I HN 0.107 nan 8.210 nan 0.000 0.413 806 A N 0.316 123.186 122.820 0.083 0.000 2.070 806 A HA -0.163 4.149 4.320 -0.015 0.000 0.220 806 A C 2.116 179.743 177.584 0.072 0.000 1.159 806 A CA 2.058 54.137 52.037 0.071 0.000 0.656 806 A CB -0.835 18.211 19.000 0.077 0.000 0.800 806 A HN 0.546 nan 8.150 nan 0.000 0.453 807 T N -3.092 111.521 114.554 0.098 0.000 3.129 807 T HA 0.172 4.514 4.350 -0.015 0.000 0.267 807 T C 1.176 175.980 174.700 0.174 0.000 1.018 807 T CA 0.667 62.832 62.100 0.109 0.000 0.903 807 T CB -0.203 68.729 68.868 0.107 0.000 1.067 807 T HN 0.488 nan 8.240 nan 0.000 0.549 808 S N 0.181 115.997 115.700 0.193 0.000 2.603 808 S HA 0.241 4.702 4.470 -0.015 0.000 0.220 808 S C 2.192 176.938 174.600 0.243 0.000 0.967 808 S CA 0.295 58.678 58.200 0.305 0.000 0.920 808 S CB -0.685 62.659 63.200 0.241 0.000 0.773 808 S HN 0.529 nan 8.310 nan 0.000 0.529 809 G N 2.622 111.490 108.800 0.112 0.000 2.469 809 G HA2 -0.296 3.655 3.960 -0.015 0.000 0.219 809 G HA3 -0.296 3.655 3.960 -0.015 0.000 0.219 809 G C 1.322 176.194 174.900 -0.047 0.000 1.150 809 G CA 1.043 46.173 45.100 0.049 0.000 0.763 809 G HN 0.610 nan 8.290 nan 0.000 0.561 810 K N -0.359 119.907 120.400 -0.223 0.000 2.218 810 K HA -0.085 4.226 4.320 -0.015 0.000 0.205 810 K C 1.151 177.443 176.600 -0.515 0.000 1.046 810 K CA 0.954 56.947 56.287 -0.490 0.000 0.933 810 K CB -0.240 31.747 32.500 -0.856 0.000 0.728 810 K HN 0.375 nan 8.250 nan 0.000 0.454 811 F N 0.634 120.615 119.950 0.052 0.000 2.645 811 F HA 0.191 4.709 4.527 -0.015 0.000 0.300 811 F C 0.684 176.529 175.800 0.074 0.000 1.115 811 F CA -0.389 57.648 58.000 0.061 0.000 1.355 811 F CB 0.240 39.273 39.000 0.054 0.000 1.026 811 F HN -0.153 nan 8.300 nan 0.000 0.536 812 S N 0.258 116.046 115.700 0.146 0.000 2.528 812 S HA 0.089 4.550 4.470 -0.015 0.000 0.277 812 S C 1.473 176.155 174.600 0.136 0.000 1.297 812 S CA -0.060 58.219 58.200 0.131 0.000 1.052 812 S CB 0.691 63.938 63.200 0.080 0.000 0.917 812 S HN 0.367 nan 8.310 nan 0.000 0.492 813 S N 3.398 119.203 115.700 0.176 0.000 2.507 813 S HA -0.083 4.378 4.470 -0.015 0.000 0.235 813 S C 0.961 175.622 174.600 0.102 0.000 0.988 813 S CA 0.696 59.021 58.200 0.208 0.000 0.944 813 S CB -0.329 63.069 63.200 0.330 0.000 0.762 813 S HN 0.796 nan 8.310 nan 0.000 0.526 814 D N 1.920 122.362 120.400 0.070 0.000 2.117 814 D HA -0.089 4.542 4.640 -0.015 0.000 0.197 814 D C 2.096 178.404 176.300 0.015 0.000 0.987 814 D CA 0.785 54.804 54.000 0.032 0.000 0.829 814 D CB -0.334 40.481 40.800 0.024 0.000 0.961 814 D HN 0.294 nan 8.370 nan 0.000 0.460 815 R N 0.848 121.357 120.500 0.016 0.000 2.073 815 R HA -0.093 4.238 4.340 -0.015 0.000 0.234 815 R C 1.927 178.222 176.300 -0.009 0.000 1.134 815 R CA 1.424 57.517 56.100 -0.010 0.000 0.952 815 R CB -0.789 29.489 30.300 -0.036 0.000 0.850 815 R HN 0.122 nan 8.270 nan 0.000 0.433 816 T N 2.234 116.807 114.554 0.032 0.000 2.635 816 T HA -0.142 4.200 4.350 -0.015 0.000 0.267 816 T C 1.932 176.644 174.700 0.021 0.000 1.040 816 T CA 1.482 63.620 62.100 0.065 0.000 1.156 816 T CB -0.147 68.840 68.868 0.198 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.430 817 I N 1.644 122.157 120.570 -0.095 0.000 2.315 817 I HA -0.088 4.073 4.170 -0.015 0.000 0.248 817 I C 2.935 179.020 176.117 -0.053 0.000 1.117 817 I CA 0.946 62.155 61.300 -0.152 0.000 1.404 817 I CB -1.655 36.249 38.000 -0.160 0.000 1.071 817 I HN 0.198 nan 8.210 nan 0.000 0.419 818 A N 0.245 123.047 122.820 -0.029 0.000 1.940 818 A HA -0.251 4.061 4.320 -0.015 0.000 0.219 818 A C 2.253 179.798 177.584 -0.066 0.000 1.176 818 A CA 1.571 53.594 52.037 -0.023 0.000 0.631 818 A CB -0.586 18.405 19.000 -0.016 0.000 0.814 818 A HN 0.522 nan 8.150 nan 0.000 0.446 819 Q N -1.930 117.811 119.800 -0.099 0.000 2.083 819 Q HA -0.157 4.174 4.340 -0.015 0.000 0.198 819 Q C 1.945 177.767 176.000 -0.297 0.000 0.969 819 Q CA 1.576 57.275 55.803 -0.172 0.000 0.838 819 Q CB -0.301 28.326 28.738 -0.186 0.000 0.900 819 Q HN 0.824 nan 8.270 nan 0.000 0.436 820 Y N 0.659 120.664 120.300 -0.491 0.000 2.128 820 Y HA -0.297 4.244 4.550 -0.015 0.000 0.284 820 Y C 2.497 177.823 175.900 -0.957 0.000 1.154 820 Y CA 1.308 58.848 58.100 -0.933 0.000 1.149 820 Y CB -0.495 37.075 38.460 -1.484 0.000 0.976 820 Y HN 0.159 nan 8.280 nan 0.000 0.505 821 A N 0.286 122.886 122.820 -0.366 0.000 1.865 821 A HA -0.242 4.069 4.320 -0.015 0.000 0.217 821 A C 2.238 179.839 177.584 0.029 0.000 1.191 821 A CA 2.176 54.248 52.037 0.058 0.000 0.623 821 A CB -0.594 18.508 19.000 0.170 0.000 0.826 821 A HN 0.443 nan 8.150 nan 0.000 0.444 822 R N -0.797 119.678 120.500 -0.042 0.000 2.093 822 R HA -0.010 4.321 4.340 -0.015 0.000 0.224 822 R C 1.834 178.110 176.300 -0.041 0.000 1.101 822 R CA 1.415 57.502 56.100 -0.021 0.000 0.979 822 R CB -0.139 30.143 30.300 -0.030 0.000 0.877 822 R HN 0.667 nan 8.270 nan 0.000 0.441 823 E N -0.515 119.618 120.200 -0.112 0.000 2.415 823 E HA 0.089 4.430 4.350 -0.015 0.000 0.197 823 E C 1.388 177.933 176.600 -0.092 0.000 1.007 823 E CA 0.454 56.791 56.400 -0.105 0.000 0.890 823 E CB 0.554 30.164 29.700 -0.150 0.000 0.891 823 E HN 0.282 nan 8.360 nan 0.000 0.496 824 I N -1.112 119.365 120.570 -0.155 0.000 3.873 824 I HA 0.025 4.186 4.170 -0.015 0.000 0.284 824 I C 1.278 177.526 176.117 0.219 0.000 1.186 824 I CA -0.050 61.217 61.300 -0.055 0.000 1.362 824 I CB 0.339 38.160 38.000 -0.299 0.000 1.432 824 I HN 0.104 nan 8.210 nan 0.000 0.454 825 W N 1.410 122.801 121.300 0.152 0.000 2.863 825 W HA 0.369 5.021 4.660 -0.015 0.000 0.258 825 W C 1.415 177.973 176.519 0.065 0.000 1.298 825 W CA 0.670 58.090 57.345 0.125 0.000 1.451 825 W CB -0.980 28.541 29.460 0.102 0.000 1.107 825 W HN 0.275 nan 8.180 nan 0.000 0.641 826 G N 1.427 110.367 108.800 0.234 0.000 2.289 826 G HA2 -0.082 3.870 3.960 -0.015 0.000 0.280 826 G HA3 -0.082 3.870 3.960 -0.015 0.000 0.280 826 G C -0.398 174.574 174.900 0.121 0.000 1.089 826 G CA 0.236 45.415 45.100 0.131 0.000 0.939 826 G HN 0.436 nan 8.290 nan 0.000 0.499 827 V N -4.187 115.815 119.914 0.146 0.000 2.971 827 V HA 0.871 4.982 4.120 -0.015 0.000 0.309 827 V C -0.323 175.829 176.094 0.098 0.000 1.130 827 V CA -1.746 60.623 62.300 0.114 0.000 0.964 827 V CB 2.300 34.200 31.823 0.127 0.000 1.029 827 V HN 0.147 nan 8.190 nan 0.000 0.427 828 E N 4.010 124.251 120.200 0.068 0.000 2.200 828 E HA 0.494 4.835 4.350 -0.015 0.000 0.283 828 E C -2.442 174.195 176.600 0.061 0.000 1.015 828 E CA -1.740 54.693 56.400 0.056 0.000 0.819 828 E CB 1.683 31.408 29.700 0.041 0.000 1.081 828 E HN 0.719 nan 8.360 nan 0.000 0.397 829 P HA 0.054 nan 4.420 nan 0.000 0.270 829 P C -0.506 176.823 177.300 0.049 0.000 1.223 829 P CA -0.228 62.906 63.100 0.056 0.000 0.785 829 P CB 0.819 32.547 31.700 0.047 0.000 0.923 830 S N 0.865 116.595 115.700 0.051 0.000 2.571 830 S HA 0.342 4.803 4.470 -0.015 0.000 0.284 830 S C 0.461 175.087 174.600 0.043 0.000 1.128 830 S CA -0.737 57.492 58.200 0.048 0.000 0.970 830 S CB 1.035 64.271 63.200 0.060 0.000 1.039 830 S HN 0.255 nan 8.310 nan 0.000 0.485 831 R N 2.168 122.689 120.500 0.035 0.000 2.334 831 R HA 0.201 4.533 4.340 -0.015 0.000 0.216 831 R C 0.054 176.367 176.300 0.021 0.000 0.905 831 R CA 0.072 56.191 56.100 0.031 0.000 1.064 831 R CB 0.110 30.428 30.300 0.030 0.000 1.046 831 R HN 0.696 nan 8.270 nan 0.000 0.508 832 Q N 0.957 120.770 119.800 0.020 0.000 2.364 832 Q HA 0.076 4.407 4.340 -0.015 0.000 0.267 832 Q C -0.276 175.718 176.000 -0.010 0.000 0.999 832 Q CA 0.211 56.019 55.803 0.007 0.000 0.886 832 Q CB 0.768 29.514 28.738 0.013 0.000 1.243 832 Q HN -0.209 nan 8.270 nan 0.000 0.415 833 R N 1.599 122.084 120.500 -0.025 0.000 2.442 833 R HA 0.169 4.500 4.340 -0.015 0.000 0.291 833 R C -0.403 175.856 176.300 -0.069 0.000 1.069 833 R CA 0.044 56.116 56.100 -0.047 0.000 1.022 833 R CB 0.302 30.574 30.300 -0.048 0.000 0.976 833 R HN 0.493 nan 8.270 nan 0.000 0.443 834 L N 5.828 126.992 121.223 -0.100 0.000 2.452 834 L HA 0.277 4.608 4.340 -0.015 0.000 0.267 834 L C -1.609 175.196 176.870 -0.108 0.000 1.188 834 L CA -1.853 52.894 54.840 -0.155 0.000 0.821 834 L CB 0.682 42.617 42.059 -0.208 0.000 1.102 834 L HN 0.469 nan 8.230 nan 0.000 0.470 835 P HA 0.035 nan 4.420 nan 0.000 0.265 835 P C -0.529 176.738 177.300 -0.055 0.000 1.193 835 P CA -0.199 62.862 63.100 -0.065 0.000 0.765 835 P CB 0.652 32.320 31.700 -0.054 0.000 0.823 836 A N 0.000 122.796 122.820 -0.039 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 836 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486