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 3ebp_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.710 119.849 120.570 -0.019 0.000 2.562 13 I HA 0.584 4.745 4.170 -0.014 0.000 0.301 13 I C 0.883 177.000 176.117 -0.000 0.000 1.003 13 I CA -0.346 60.951 61.300 -0.006 0.000 1.127 13 I CB 1.995 39.995 38.000 0.001 0.000 1.304 13 I HN 0.181 nan 8.210 nan 0.000 0.446 14 S N 3.293 118.998 115.700 0.009 0.000 2.359 14 S HA -0.155 4.307 4.470 -0.014 0.000 0.224 14 S C 1.754 176.363 174.600 0.015 0.000 1.035 14 S CA 2.051 60.258 58.200 0.012 0.000 1.018 14 S CB -0.514 62.698 63.200 0.020 0.000 0.876 14 S HN 0.767 nan 8.310 nan 0.000 0.448 15 V N -0.050 119.880 119.914 0.027 0.000 3.026 15 V HA 0.099 4.210 4.120 -0.014 0.000 0.265 15 V C 1.912 178.020 176.094 0.023 0.000 1.121 15 V CA 1.382 63.701 62.300 0.032 0.000 1.142 15 V CB -1.010 30.839 31.823 0.045 0.000 0.730 15 V HN 0.365 nan 8.190 nan 0.000 0.503 16 R N 1.183 121.688 120.500 0.008 0.000 2.320 16 R HA 0.431 4.762 4.340 -0.014 0.000 0.211 16 R C 1.147 177.438 176.300 -0.016 0.000 0.931 16 R CA 0.562 56.660 56.100 -0.003 0.000 1.071 16 R CB -0.008 30.286 30.300 -0.010 0.000 1.025 16 R HN 0.770 nan 8.270 nan 0.000 0.495 17 G N 0.599 109.390 108.800 -0.015 0.000 2.685 17 G HA2 -0.212 3.740 3.960 -0.014 0.000 0.387 17 G HA3 -0.212 3.740 3.960 -0.014 0.000 0.387 17 G C -0.994 173.890 174.900 -0.026 0.000 1.324 17 G CA -1.076 44.007 45.100 -0.028 0.000 0.878 17 G HN -0.027 nan 8.290 nan 0.000 0.527 18 L N 0.348 121.554 121.223 -0.030 0.000 2.357 18 L HA 0.708 5.039 4.340 -0.014 0.000 0.273 18 L C 1.158 178.013 176.870 -0.024 0.000 1.080 18 L CA 0.150 54.976 54.840 -0.024 0.000 0.803 18 L CB 1.045 43.091 42.059 -0.021 0.000 1.174 18 L HN 1.562 nan 8.230 nan 0.000 0.443 19 A N 2.213 125.022 122.820 -0.019 0.000 2.937 19 A HA 0.607 4.919 4.320 -0.014 0.000 0.338 19 A C 0.651 178.230 177.584 -0.008 0.000 1.273 19 A CA -0.343 51.685 52.037 -0.015 0.000 0.937 19 A CB -0.298 18.693 19.000 -0.016 0.000 1.133 19 A HN 0.792 nan 8.150 nan 0.000 0.491 20 G N -0.126 108.670 108.800 -0.006 0.000 2.527 20 G HA2 0.373 4.324 3.960 -0.014 0.000 0.248 20 G HA3 0.373 4.324 3.960 -0.014 0.000 0.248 20 G C 0.994 175.898 174.900 0.006 0.000 1.231 20 G CA -0.052 45.048 45.100 -0.000 0.000 0.838 20 G HN 0.450 nan 8.290 nan 0.000 0.570 21 V N 1.397 121.316 119.914 0.008 0.000 2.287 21 V HA -0.172 3.940 4.120 -0.014 0.000 0.248 21 V C 2.711 178.815 176.094 0.017 0.000 1.053 21 V CA 2.363 64.670 62.300 0.012 0.000 1.027 21 V CB -0.686 31.143 31.823 0.010 0.000 0.646 21 V HN 0.750 nan 8.190 nan 0.000 0.447 22 E N 0.546 120.756 120.200 0.017 0.000 2.058 22 E HA -0.193 4.149 4.350 -0.014 0.000 0.194 22 E C 2.079 178.699 176.600 0.034 0.000 0.997 22 E CA 1.674 58.088 56.400 0.024 0.000 0.801 22 E CB -0.358 29.355 29.700 0.022 0.000 0.746 22 E HN 0.615 nan 8.360 nan 0.000 0.450 23 N N -0.900 117.818 118.700 0.030 0.000 2.084 23 N HA -0.126 4.606 4.740 -0.014 0.000 0.190 23 N C 1.631 177.165 175.510 0.041 0.000 1.030 23 N CA 1.187 54.260 53.050 0.038 0.000 0.849 23 N CB -0.119 38.376 38.487 0.013 0.000 1.012 23 N HN -0.015 nan 8.380 nan 0.000 0.423 24 V N 0.189 120.119 119.914 0.027 0.000 2.343 24 V HA -0.223 3.888 4.120 -0.014 0.000 0.247 24 V C 2.020 178.135 176.094 0.035 0.000 1.051 24 V CA 1.879 64.194 62.300 0.026 0.000 1.036 24 V CB -0.926 30.907 31.823 0.017 0.000 0.654 24 V HN 0.408 nan 8.190 nan 0.000 0.451 25 T N -0.498 114.077 114.554 0.035 0.000 2.746 25 T HA -0.227 4.114 4.350 -0.014 0.000 0.267 25 T C 1.925 176.659 174.700 0.057 0.000 1.039 25 T CA 1.809 63.932 62.100 0.038 0.000 1.142 25 T CB -0.213 68.673 68.868 0.030 0.000 0.866 25 T HN 0.486 nan 8.240 nan 0.000 0.444 26 E N 1.024 121.265 120.200 0.068 0.000 2.077 26 E HA -0.032 4.310 4.350 -0.014 0.000 0.193 26 E C 2.029 178.708 176.600 0.131 0.000 0.989 26 E CA 0.945 57.399 56.400 0.091 0.000 0.800 26 E CB -0.542 29.217 29.700 0.098 0.000 0.746 26 E HN 0.449 nan 8.360 nan 0.000 0.452 27 L N 0.127 121.433 121.223 0.138 0.000 2.046 27 L HA -0.177 4.155 4.340 -0.014 0.000 0.208 27 L C 2.466 179.446 176.870 0.183 0.000 1.077 27 L CA 1.490 56.436 54.840 0.177 0.000 0.747 27 L CB -0.329 41.804 42.059 0.123 0.000 0.896 27 L HN 0.072 nan 8.230 nan 0.000 0.432 28 K N 0.454 120.922 120.400 0.113 0.000 2.057 28 K HA -0.215 4.096 4.320 -0.014 0.000 0.207 28 K C 2.136 178.838 176.600 0.171 0.000 1.049 28 K CA 1.783 58.129 56.287 0.098 0.000 0.931 28 K CB -0.099 32.419 32.500 0.031 0.000 0.714 28 K HN 0.384 nan 8.250 nan 0.000 0.440 29 K N 0.250 120.731 120.400 0.136 0.000 2.103 29 K HA -0.048 4.263 4.320 -0.014 0.000 0.204 29 K C 1.567 178.255 176.600 0.146 0.000 1.052 29 K CA 1.299 57.660 56.287 0.123 0.000 0.945 29 K CB -0.100 32.446 32.500 0.077 0.000 0.722 29 K HN 0.000 nan 8.250 nan 0.000 0.443 30 N N 0.423 119.223 118.700 0.167 0.000 2.270 30 N HA -0.099 4.633 4.740 -0.014 0.000 0.181 30 N C 1.580 177.250 175.510 0.266 0.000 1.016 30 N CA 0.858 54.003 53.050 0.158 0.000 0.870 30 N CB -0.230 38.362 38.487 0.174 0.000 0.979 30 N HN 0.209 nan 8.380 nan 0.000 0.431 31 F N 2.541 122.599 119.950 0.179 0.000 2.102 31 F HA -0.117 4.401 4.527 -0.014 0.000 0.298 31 F C 2.017 177.928 175.800 0.185 0.000 1.105 31 F CA 1.291 59.411 58.000 0.201 0.000 1.239 31 F CB -0.129 38.961 39.000 0.149 0.000 0.991 31 F HN -0.043 nan 8.300 nan 0.000 0.474 32 N N 0.450 119.383 118.700 0.388 0.000 2.188 32 N HA -0.178 4.553 4.740 -0.014 0.000 0.184 32 N C 2.012 177.611 175.510 0.148 0.000 1.018 32 N CA 1.114 54.315 53.050 0.252 0.000 0.858 32 N CB -0.531 38.083 38.487 0.212 0.000 0.989 32 N HN 0.363 nan 8.380 nan 0.000 0.426 33 R N 0.149 120.731 120.500 0.138 0.000 2.073 33 R HA -0.099 4.233 4.340 -0.014 0.000 0.234 33 R C 1.814 178.196 176.300 0.137 0.000 1.134 33 R CA 1.505 57.709 56.100 0.174 0.000 0.952 33 R CB -0.212 30.108 30.300 0.032 0.000 0.850 33 R HN 0.393 nan 8.270 nan 0.000 0.433 34 H N -0.405 118.708 119.070 0.072 0.000 2.389 34 H HA -0.125 4.422 4.556 -0.014 0.000 0.299 34 H C 1.886 177.150 175.328 -0.106 0.000 1.081 34 H CA 1.449 57.472 56.048 -0.042 0.000 1.345 34 H CB 0.058 29.757 29.762 -0.106 0.000 1.393 34 H HN 0.125 nan 8.280 nan 0.000 0.520 35 L N -0.076 121.129 121.223 -0.030 0.000 2.042 35 L HA -0.205 4.126 4.340 -0.014 0.000 0.210 35 L C 2.217 179.063 176.870 -0.040 0.000 1.076 35 L CA 1.897 56.690 54.840 -0.078 0.000 0.749 35 L CB -0.397 41.627 42.059 -0.059 0.000 0.893 35 L HN 0.314 nan 8.230 nan 0.000 0.432 36 H N -1.895 117.101 119.070 -0.123 0.000 2.287 36 H HA -0.049 4.499 4.556 -0.014 0.000 0.309 36 H C 1.800 176.935 175.328 -0.322 0.000 1.059 36 H CA 2.175 58.057 56.048 -0.277 0.000 1.357 36 H CB -0.246 29.259 29.762 -0.429 0.000 1.409 36 H HN 0.282 nan 8.280 nan 0.000 0.515 37 F N -0.468 119.470 119.950 -0.020 0.000 2.293 37 F HA -0.006 4.513 4.527 -0.014 0.000 0.297 37 F C 2.536 178.262 175.800 -0.124 0.000 1.089 37 F CA 1.333 59.279 58.000 -0.090 0.000 1.377 37 F CB -0.270 38.710 39.000 -0.032 0.000 1.051 37 F HN 0.180 nan 8.300 nan 0.000 0.511 38 T N -0.112 114.473 114.554 0.052 0.000 2.901 38 T HA 0.088 4.430 4.350 -0.014 0.000 0.252 38 T C 1.941 176.550 174.700 -0.151 0.000 1.035 38 T CA 0.793 62.851 62.100 -0.070 0.000 1.142 38 T CB -0.245 68.552 68.868 -0.118 0.000 0.869 38 T HN 0.100 nan 8.240 nan 0.000 0.442 39 L N 1.278 122.413 121.223 -0.147 0.000 2.529 39 L HA 0.203 4.534 4.340 -0.014 0.000 0.223 39 L C 0.369 177.142 176.870 -0.160 0.000 1.113 39 L CA -0.073 54.669 54.840 -0.163 0.000 0.861 39 L CB -0.105 41.865 42.059 -0.149 0.000 1.012 39 L HN -0.009 nan 8.230 nan 0.000 0.461 40 V N 0.610 120.411 119.914 -0.188 0.000 5.949 40 V HA -0.276 3.835 4.120 -0.014 0.000 0.287 40 V C -0.056 175.921 176.094 -0.195 0.000 0.603 40 V CA 1.142 63.301 62.300 -0.235 0.000 0.608 40 V CB -2.200 29.512 31.823 -0.185 0.000 0.259 40 V HN 0.436 nan 8.190 nan 0.000 0.742 41 K N 0.969 121.260 120.400 -0.182 0.000 2.482 41 K HA 0.713 5.025 4.320 -0.014 0.000 0.257 41 K C -0.497 176.062 176.600 -0.068 0.000 0.969 41 K CA -0.539 55.676 56.287 -0.120 0.000 0.842 41 K CB 2.852 35.281 32.500 -0.119 0.000 1.359 41 K HN 0.488 nan 8.250 nan 0.000 0.441 42 D N -0.515 119.870 120.400 -0.026 0.000 2.467 42 D HA 0.313 4.945 4.640 -0.014 0.000 0.245 42 D C 0.706 177.037 176.300 0.051 0.000 1.038 42 D CA -0.658 53.364 54.000 0.036 0.000 1.038 42 D CB 0.856 41.684 40.800 0.046 0.000 1.278 42 D HN 0.110 nan 8.370 nan 0.000 0.564 43 R N -0.116 120.448 120.500 0.106 0.000 2.193 43 R HA -0.031 4.301 4.340 -0.014 0.000 0.229 43 R C 0.934 177.308 176.300 0.123 0.000 1.110 43 R CA 0.632 56.833 56.100 0.169 0.000 0.988 43 R CB -0.724 29.684 30.300 0.181 0.000 0.871 43 R HN 0.512 nan 8.270 nan 0.000 0.458 44 N N 0.212 118.953 118.700 0.068 0.000 2.354 44 N HA -0.091 4.640 4.740 -0.014 0.000 0.179 44 N C 1.694 177.223 175.510 0.032 0.000 1.021 44 N CA 1.341 54.420 53.050 0.049 0.000 0.887 44 N CB 0.114 38.620 38.487 0.032 0.000 0.974 44 N HN 0.251 nan 8.380 nan 0.000 0.437 45 V N -2.988 116.931 119.914 0.009 0.000 3.645 45 V HA 0.524 4.635 4.120 -0.014 0.000 0.275 45 V C 0.828 176.891 176.094 -0.052 0.000 1.356 45 V CA -0.445 61.846 62.300 -0.015 0.000 1.051 45 V CB -0.462 31.346 31.823 -0.025 0.000 0.828 45 V HN 0.067 nan 8.190 nan 0.000 0.441 46 A N 2.432 125.197 122.820 -0.092 0.000 2.477 46 A HA 0.541 4.853 4.320 -0.014 0.000 0.246 46 A C 0.769 178.187 177.584 -0.276 0.000 1.078 46 A CA 0.790 52.665 52.037 -0.271 0.000 0.770 46 A CB -0.259 18.439 19.000 -0.503 0.000 1.011 46 A HN 0.817 nan 8.150 nan 0.000 0.494 47 T N 0.595 114.995 114.554 -0.257 0.000 2.927 47 T HA 0.535 4.876 4.350 -0.014 0.000 0.281 47 T C -2.046 172.591 174.700 -0.105 0.000 0.998 47 T CA -1.765 60.270 62.100 -0.108 0.000 1.019 47 T CB 1.143 69.992 68.868 -0.032 0.000 1.061 47 T HN 0.276 nan 8.240 nan 0.000 0.518 48 P HA -0.138 nan 4.420 nan 0.000 0.217 48 P C 1.606 179.031 177.300 0.210 0.000 1.151 48 P CA 1.040 64.299 63.100 0.265 0.000 0.849 48 P CB 0.055 31.864 31.700 0.181 0.000 0.787 49 R N -0.079 120.488 120.500 0.113 0.000 2.081 49 R HA -0.140 4.192 4.340 -0.014 0.000 0.235 49 R C 1.720 178.197 176.300 0.294 0.000 1.131 49 R CA 1.740 57.941 56.100 0.168 0.000 0.960 49 R CB -0.670 29.662 30.300 0.053 0.000 0.856 49 R HN 0.105 nan 8.270 nan 0.000 0.436 50 D N -0.305 120.153 120.400 0.097 0.000 2.123 50 D HA -0.203 4.429 4.640 -0.014 0.000 0.196 50 D C 1.730 178.048 176.300 0.030 0.000 0.992 50 D CA 1.384 55.389 54.000 0.008 0.000 0.833 50 D CB -0.298 40.363 40.800 -0.231 0.000 0.954 50 D HN 0.314 nan 8.370 nan 0.000 0.455 51 Y N 0.075 120.485 120.300 0.183 0.000 2.200 51 Y HA -0.205 4.336 4.550 -0.014 0.000 0.290 51 Y C 2.324 178.366 175.900 0.238 0.000 1.137 51 Y CA 0.380 58.631 58.100 0.252 0.000 1.163 51 Y CB -1.158 37.504 38.460 0.337 0.000 0.988 51 Y HN 0.079 nan 8.280 nan 0.000 0.518 52 Y N -0.342 120.103 120.300 0.242 0.000 2.081 52 Y HA -0.320 4.221 4.550 -0.014 0.000 0.280 52 Y C 2.002 177.879 175.900 -0.039 0.000 1.163 52 Y CA 1.446 59.581 58.100 0.058 0.000 1.135 52 Y CB -1.181 37.209 38.460 -0.117 0.000 0.970 52 Y HN 0.059 nan 8.280 nan 0.000 0.498 53 F N 0.136 119.871 119.950 -0.358 0.000 2.171 53 F HA -0.132 4.387 4.527 -0.014 0.000 0.300 53 F C 2.640 178.278 175.800 -0.270 0.000 1.090 53 F CA 1.255 58.982 58.000 -0.456 0.000 1.293 53 F CB -0.812 38.104 39.000 -0.140 0.000 1.013 53 F HN 0.210 nan 8.300 nan 0.000 0.486 54 A N -0.157 122.613 122.820 -0.083 0.000 1.902 54 A HA -0.181 4.131 4.320 -0.014 0.000 0.217 54 A C 2.057 179.511 177.584 -0.217 0.000 1.181 54 A CA 1.562 53.416 52.037 -0.304 0.000 0.623 54 A CB -0.987 17.499 19.000 -0.858 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -0.209 121.011 121.223 -0.006 0.000 2.027 55 L HA -0.017 4.314 4.340 -0.014 0.000 0.206 55 L C 2.678 179.532 176.870 -0.027 0.000 1.074 55 L CA 2.210 57.171 54.840 0.200 0.000 0.745 55 L CB -1.020 41.228 42.059 0.314 0.000 0.898 55 L HN 0.340 nan 8.230 nan 0.000 0.433 56 A N -1.159 121.463 122.820 -0.330 0.000 1.883 56 A HA -0.298 4.014 4.320 -0.014 0.000 0.217 56 A C 2.153 179.375 177.584 -0.603 0.000 1.186 56 A CA 2.100 53.810 52.037 -0.545 0.000 0.624 56 A CB -1.163 17.168 19.000 -1.116 0.000 0.822 56 A HN 0.693 nan 8.150 nan 0.000 0.444 57 H N -0.830 117.925 119.070 -0.525 0.000 2.387 57 H HA -0.067 4.480 4.556 -0.014 0.000 0.299 57 H C 2.366 177.421 175.328 -0.455 0.000 1.090 57 H CA 1.996 57.666 56.048 -0.630 0.000 1.332 57 H CB -0.210 28.941 29.762 -1.018 0.000 1.386 57 H HN 0.470 nan 8.280 nan 0.000 0.516 58 T N -0.258 114.237 114.554 -0.098 0.000 2.708 58 T HA -0.139 4.203 4.350 -0.014 0.000 0.266 58 T C 2.269 177.137 174.700 0.280 0.000 1.037 58 T CA 1.376 63.605 62.100 0.215 0.000 1.146 58 T CB -0.402 68.662 68.868 0.327 0.000 0.865 58 T HN 0.095 nan 8.240 nan 0.000 0.435 59 V N 1.633 121.678 119.914 0.219 0.000 2.358 59 V HA -0.131 3.980 4.120 -0.014 0.000 0.246 59 V C 2.628 178.901 176.094 0.297 0.000 1.047 59 V CA 1.588 64.054 62.300 0.277 0.000 1.035 59 V CB -0.648 31.326 31.823 0.251 0.000 0.658 59 V HN 0.381 nan 8.190 nan 0.000 0.452 60 R N 0.257 120.880 120.500 0.206 0.000 2.105 60 R HA -0.229 4.103 4.340 -0.014 0.000 0.239 60 R C 1.943 178.346 176.300 0.172 0.000 1.135 60 R CA 2.134 58.351 56.100 0.195 0.000 0.967 60 R CB -0.462 29.806 30.300 -0.053 0.000 0.861 60 R HN 0.473 nan 8.270 nan 0.000 0.442 61 D N -0.119 120.367 120.400 0.144 0.000 2.158 61 D HA -0.175 4.456 4.640 -0.014 0.000 0.197 61 D C 1.733 178.043 176.300 0.016 0.000 0.995 61 D CA 1.160 55.212 54.000 0.087 0.000 0.846 61 D CB -0.390 40.451 40.800 0.069 0.000 0.941 61 D HN 0.472 nan 8.370 nan 0.000 0.456 62 H N -0.332 118.802 119.070 0.107 0.000 2.495 62 H HA 0.046 4.594 4.556 -0.014 0.000 0.287 62 H C 2.238 177.607 175.328 0.068 0.000 1.033 62 H CA 0.366 56.461 56.048 0.077 0.000 1.307 62 H CB 0.287 30.086 29.762 0.062 0.000 1.401 62 H HN 0.204 nan 8.280 nan 0.000 0.555 63 L N 0.570 121.902 121.223 0.181 0.000 2.131 63 L HA -0.119 4.212 4.340 -0.014 0.000 0.206 63 L C 2.816 179.796 176.870 0.183 0.000 1.087 63 L CA 0.611 55.524 54.840 0.122 0.000 0.767 63 L CB -0.241 41.856 42.059 0.063 0.000 0.917 63 L HN 0.120 nan 8.230 nan 0.000 0.441 64 V N -2.169 117.874 119.914 0.215 0.000 2.287 64 V HA -0.147 3.965 4.120 -0.014 0.000 0.248 64 V C 2.326 178.535 176.094 0.192 0.000 1.053 64 V CA 2.026 64.490 62.300 0.273 0.000 1.027 64 V CB -1.783 30.160 31.823 0.200 0.000 0.646 64 V HN 0.380 nan 8.190 nan 0.000 0.447 65 G N 0.282 109.149 108.800 0.111 0.000 2.446 65 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.217 65 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.217 65 G C 1.757 176.703 174.900 0.077 0.000 1.168 65 G CA 1.068 46.208 45.100 0.068 0.000 0.771 65 G HN 0.547 nan 8.290 nan 0.000 0.551 66 R N -1.448 119.107 120.500 0.091 0.000 2.096 66 R HA -0.086 4.246 4.340 -0.014 0.000 0.235 66 R C 2.268 178.648 176.300 0.134 0.000 1.127 66 R CA 1.212 57.354 56.100 0.071 0.000 0.968 66 R CB -0.354 29.971 30.300 0.043 0.000 0.861 66 R HN 0.491 nan 8.270 nan 0.000 0.440 67 W N 1.458 122.738 121.300 -0.032 0.000 2.355 67 W HA -0.062 4.590 4.660 -0.014 0.000 0.309 67 W C 1.704 178.196 176.519 -0.046 0.000 1.206 67 W CA 0.919 58.242 57.345 -0.037 0.000 1.284 67 W CB -0.578 28.878 29.460 -0.007 0.000 1.145 67 W HN -0.034 nan 8.180 nan 0.000 0.502 68 I N 1.000 121.627 120.570 0.096 0.000 2.226 68 I HA -0.331 3.831 4.170 -0.014 0.000 0.245 68 I C 2.696 178.797 176.117 -0.027 0.000 1.100 68 I CA 1.998 63.270 61.300 -0.047 0.000 1.374 68 I CB -0.617 37.357 38.000 -0.043 0.000 1.057 68 I HN -0.027 nan 8.210 nan 0.000 0.413 69 R N 0.324 120.823 120.500 -0.000 0.000 2.153 69 R HA -0.041 4.290 4.340 -0.014 0.000 0.218 69 R C 1.904 178.170 176.300 -0.055 0.000 1.072 69 R CA 1.467 57.556 56.100 -0.018 0.000 0.990 69 R CB -1.107 29.183 30.300 -0.016 0.000 0.889 69 R HN 0.160 nan 8.270 nan 0.000 0.452 70 T N 1.667 116.168 114.554 -0.088 0.000 2.674 70 T HA -0.108 4.233 4.350 -0.014 0.000 0.265 70 T C 1.812 176.252 174.700 -0.433 0.000 1.039 70 T CA 1.393 63.332 62.100 -0.267 0.000 1.150 70 T CB -0.129 68.616 68.868 -0.204 0.000 0.864 70 T HN 0.250 nan 8.240 nan 0.000 0.427 71 Q N 0.753 120.442 119.800 -0.186 0.000 2.167 71 Q HA -0.075 4.257 4.340 -0.014 0.000 0.202 71 Q C 2.340 178.354 176.000 0.023 0.000 0.970 71 Q CA 1.222 56.991 55.803 -0.055 0.000 0.855 71 Q CB -0.468 28.267 28.738 -0.003 0.000 0.911 71 Q HN 0.482 nan 8.270 nan 0.000 0.438 72 Q N 0.114 119.917 119.800 0.004 0.000 2.084 72 Q HA -0.185 4.146 4.340 -0.014 0.000 0.202 72 Q C 1.927 178.010 176.000 0.138 0.000 0.978 72 Q CA 1.856 57.705 55.803 0.077 0.000 0.844 72 Q CB -0.359 28.406 28.738 0.045 0.000 0.898 72 Q HN 0.543 nan 8.270 nan 0.000 0.426 73 H N -1.033 118.010 119.070 -0.045 0.000 2.319 73 H HA -0.188 4.359 4.556 -0.014 0.000 0.299 73 H C 1.182 176.573 175.328 0.104 0.000 1.092 73 H CA 2.262 58.293 56.048 -0.028 0.000 1.302 73 H CB -0.296 29.384 29.762 -0.138 0.000 1.373 73 H HN 0.361 nan 8.280 nan 0.000 0.497 74 Y N -1.145 119.182 120.300 0.045 0.000 2.274 74 Y HA -0.174 4.368 4.550 -0.014 0.000 0.290 74 Y C 2.392 178.319 175.900 0.046 0.000 1.145 74 Y CA 0.989 59.090 58.100 0.001 0.000 1.203 74 Y CB -1.299 37.223 38.460 0.102 0.000 0.984 74 Y HN 0.355 nan 8.280 nan 0.000 0.533 75 Y N 1.237 121.613 120.300 0.126 0.000 2.242 75 Y HA -0.160 4.382 4.550 -0.014 0.000 0.291 75 Y C 2.042 177.952 175.900 0.016 0.000 1.137 75 Y CA 1.622 59.761 58.100 0.065 0.000 1.181 75 Y CB 0.018 38.509 38.460 0.051 0.000 0.989 75 Y HN 0.030 nan 8.280 nan 0.000 0.527 76 E N 0.129 120.323 120.200 -0.010 0.000 2.076 76 E HA -0.106 4.235 4.350 -0.014 0.000 0.190 76 E C 1.989 178.506 176.600 -0.138 0.000 0.979 76 E CA 0.955 57.294 56.400 -0.102 0.000 0.807 76 E CB -0.199 29.501 29.700 0.001 0.000 0.761 76 E HN 0.468 nan 8.360 nan 0.000 0.454 77 K N 0.705 121.008 120.400 -0.161 0.000 2.296 77 K HA -0.075 4.236 4.320 -0.014 0.000 0.200 77 K C -0.054 176.481 176.600 -0.109 0.000 1.048 77 K CA 0.459 56.651 56.287 -0.159 0.000 0.966 77 K CB 0.011 32.346 32.500 -0.275 0.000 0.754 77 K HN -0.016 nan 8.250 nan 0.000 0.466 78 D N 1.043 121.388 120.400 -0.093 0.000 2.735 78 D HA -0.100 4.531 4.640 -0.014 0.000 0.235 78 D C -2.404 173.863 176.300 -0.054 0.000 1.175 78 D CA 0.069 54.027 54.000 -0.070 0.000 0.683 78 D CB -0.094 40.642 40.800 -0.108 0.000 1.008 78 D HN 0.175 nan 8.370 nan 0.000 0.416 79 P HA 0.086 nan 4.420 nan 0.000 0.274 79 P C -0.106 177.148 177.300 -0.077 0.000 1.256 79 P CA -0.554 62.504 63.100 -0.070 0.000 0.795 79 P CB 0.614 32.254 31.700 -0.099 0.000 1.038 80 K N 1.310 121.669 120.400 -0.069 0.000 2.451 80 K HA 0.035 4.346 4.320 -0.014 0.000 0.280 80 K C 0.144 176.653 176.600 -0.151 0.000 1.020 80 K CA -0.096 56.144 56.287 -0.079 0.000 1.008 80 K CB 0.299 32.769 32.500 -0.050 0.000 0.917 80 K HN 0.305 nan 8.250 nan 0.000 0.478 81 R N 4.363 124.759 120.500 -0.174 0.000 2.368 81 R HA 0.354 4.686 4.340 -0.014 0.000 0.302 81 R C -0.198 175.823 176.300 -0.465 0.000 1.002 81 R CA -0.847 55.063 56.100 -0.317 0.000 0.929 81 R CB 0.810 30.923 30.300 -0.312 0.000 1.073 81 R HN 0.507 nan 8.270 nan 0.000 0.464 82 I N 3.642 123.878 120.570 -0.556 0.000 2.339 82 I HA 0.254 4.415 4.170 -0.014 0.000 0.290 82 I C -0.482 175.325 176.117 -0.516 0.000 0.994 82 I CA -1.009 59.922 61.300 -0.615 0.000 1.191 82 I CB 0.551 38.051 38.000 -0.833 0.000 1.343 82 I HN 0.439 nan 8.210 nan 0.000 0.458 83 Y N 5.946 126.212 120.300 -0.056 0.000 2.402 83 Y HA 0.286 4.828 4.550 -0.014 0.000 0.332 83 Y C -0.278 175.725 175.900 0.172 0.000 0.960 83 Y CA -0.709 57.476 58.100 0.143 0.000 1.228 83 Y CB 1.055 39.552 38.460 0.061 0.000 1.120 83 Y HN 0.402 nan 8.280 nan 0.000 0.491 84 Y N 4.556 125.037 120.300 0.302 0.000 2.518 84 Y HA 0.478 5.020 4.550 -0.014 0.000 0.344 84 Y C -1.224 174.946 175.900 0.450 0.000 0.982 84 Y CA -0.923 57.367 58.100 0.316 0.000 1.234 84 Y CB 0.283 38.929 38.460 0.309 0.000 1.114 84 Y HN 0.509 nan 8.280 nan 0.000 0.515 85 L N 5.039 126.317 121.223 0.091 0.000 2.265 85 L HA 0.475 4.807 4.340 -0.014 0.000 0.288 85 L C -0.184 176.718 176.870 0.053 0.000 1.058 85 L CA 0.153 55.108 54.840 0.192 0.000 0.809 85 L CB 1.345 43.481 42.059 0.128 0.000 1.179 85 L HN 0.561 nan 8.230 nan 0.000 0.429 86 S N 2.624 118.443 115.700 0.198 0.000 2.536 86 S HA 0.471 4.933 4.470 -0.014 0.000 0.271 86 S C 0.403 175.101 174.600 0.163 0.000 1.134 86 S CA -0.626 57.581 58.200 0.012 0.000 0.897 86 S CB 1.046 64.008 63.200 -0.397 0.000 1.094 86 S HN 0.500 nan 8.310 nan 0.000 0.473 87 L N 2.431 123.780 121.223 0.210 0.000 2.554 87 L HA 0.352 4.684 4.340 -0.014 0.000 0.226 87 L C 0.207 177.273 176.870 0.328 0.000 1.137 87 L CA 1.233 56.260 54.840 0.312 0.000 0.863 87 L CB -0.779 41.471 42.059 0.318 0.000 0.985 87 L HN 0.704 nan 8.230 nan 0.000 0.451 88 E N -0.904 119.365 120.200 0.114 0.000 2.275 88 E HA 0.373 4.715 4.350 -0.014 0.000 0.270 88 E C -1.522 174.962 176.600 -0.194 0.000 0.882 88 E CA -0.365 56.082 56.400 0.078 0.000 0.758 88 E CB 2.024 31.744 29.700 0.032 0.000 1.195 88 E HN -0.153 nan 8.360 nan 0.000 0.419 89 F N 2.209 122.265 119.950 0.176 0.000 2.610 89 F HA 0.192 4.710 4.527 -0.014 0.000 0.355 89 F C -0.796 175.085 175.800 0.134 0.000 1.140 89 F CA -0.772 57.320 58.000 0.152 0.000 1.037 89 F CB 0.950 40.032 39.000 0.136 0.000 1.287 89 F HN 0.486 nan 8.300 nan 0.000 0.457 90 Y N 5.264 125.638 120.300 0.123 0.000 2.714 90 Y HA 0.225 4.767 4.550 -0.014 0.000 0.333 90 Y C 0.935 176.852 175.900 0.028 0.000 1.220 90 Y CA -1.027 57.096 58.100 0.037 0.000 1.513 90 Y CB 0.344 38.811 38.460 0.012 0.000 1.435 90 Y HN 0.550 nan 8.280 nan 0.000 0.489 91 M N 1.391 121.115 119.600 0.207 0.000 2.388 91 M HA 0.121 4.592 4.480 -0.014 0.000 0.265 91 M C 1.574 177.851 176.300 -0.038 0.000 1.088 91 M CA 1.031 56.365 55.300 0.058 0.000 1.134 91 M CB -1.174 31.434 32.600 0.014 0.000 1.384 91 M HN 0.691 nan 8.290 nan 0.000 0.447 92 G N 1.348 110.137 108.800 -0.017 0.000 2.569 92 G HA2 -0.282 3.669 3.960 -0.014 0.000 0.259 92 G HA3 -0.282 3.669 3.960 -0.014 0.000 0.259 92 G C -0.229 174.625 174.900 -0.077 0.000 1.263 92 G CA -0.264 44.787 45.100 -0.080 0.000 0.928 92 G HN 0.448 nan 8.290 nan 0.000 0.572 93 R N -0.720 119.716 120.500 -0.107 0.000 2.582 93 R HA 0.546 4.878 4.340 -0.014 0.000 0.271 93 R C 1.085 177.271 176.300 -0.190 0.000 1.078 93 R CA 0.368 56.413 56.100 -0.091 0.000 1.127 93 R CB 0.660 30.911 30.300 -0.082 0.000 1.038 93 R HN 0.522 nan 8.270 nan 0.000 0.500 94 T N 1.174 115.572 114.554 -0.260 0.000 2.978 94 T HA -0.005 4.337 4.350 -0.014 0.000 0.248 94 T C 1.414 175.753 174.700 -0.601 0.000 1.018 94 T CA -0.141 61.598 62.100 -0.602 0.000 1.026 94 T CB 0.143 68.281 68.868 -1.218 0.000 1.032 94 T HN 0.317 nan 8.240 nan 0.000 0.485 95 L N 1.943 123.039 121.223 -0.211 0.000 1.976 95 L HA -0.020 4.311 4.340 -0.014 0.000 0.209 95 L C 2.465 179.304 176.870 -0.051 0.000 1.071 95 L CA 2.018 56.880 54.840 0.038 0.000 0.746 95 L CB -0.691 41.590 42.059 0.371 0.000 0.890 95 L HN 0.177 nan 8.230 nan 0.000 0.432 96 Q N -0.714 119.052 119.800 -0.057 0.000 2.084 96 Q HA -0.259 4.072 4.340 -0.014 0.000 0.202 96 Q C 2.244 178.171 176.000 -0.122 0.000 0.978 96 Q CA 1.907 57.667 55.803 -0.072 0.000 0.844 96 Q CB -0.318 28.374 28.738 -0.078 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -1.025 117.563 118.700 -0.186 0.000 2.104 97 N HA -0.160 4.572 4.740 -0.014 0.000 0.190 97 N C 1.385 176.786 175.510 -0.182 0.000 1.024 97 N CA 1.878 54.807 53.050 -0.201 0.000 0.853 97 N CB 0.038 38.371 38.487 -0.256 0.000 1.008 97 N HN 0.235 nan 8.380 nan 0.000 0.424 98 T N 1.257 115.668 114.554 -0.238 0.000 2.777 98 T HA -0.064 4.278 4.350 -0.014 0.000 0.266 98 T C 2.066 176.702 174.700 -0.107 0.000 1.040 98 T CA 1.066 63.044 62.100 -0.203 0.000 1.141 98 T CB -0.074 68.628 68.868 -0.277 0.000 0.868 98 T HN 0.270 nan 8.240 nan 0.000 0.444 99 M N 0.603 120.157 119.600 -0.077 0.000 2.117 99 M HA -0.089 4.382 4.480 -0.014 0.000 0.262 99 M C 2.490 178.756 176.300 -0.057 0.000 1.065 99 M CA 1.254 56.523 55.300 -0.052 0.000 1.114 99 M CB -0.667 31.917 32.600 -0.025 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 1.035 120.921 119.914 -0.047 0.000 2.255 100 V HA -0.291 3.820 4.120 -0.014 0.000 0.247 100 V C 1.816 177.919 176.094 0.015 0.000 1.051 100 V CA 2.037 64.336 62.300 -0.002 0.000 1.018 100 V CB -0.932 30.893 31.823 0.003 0.000 0.641 100 V HN 0.477 nan 8.190 nan 0.000 0.445 101 N N -0.373 118.323 118.700 -0.007 0.000 2.453 101 N HA -0.048 4.683 4.740 -0.014 0.000 0.183 101 N C 1.097 176.512 175.510 -0.159 0.000 1.041 101 N CA 0.765 53.793 53.050 -0.036 0.000 0.900 101 N CB -0.131 38.343 38.487 -0.023 0.000 0.961 101 N HN 0.299 nan 8.380 nan 0.000 0.443 102 L N -0.308 120.839 121.223 -0.127 0.000 2.640 102 L HA 0.401 4.732 4.340 -0.014 0.000 0.230 102 L C 0.585 177.371 176.870 -0.140 0.000 1.123 102 L CA -0.201 54.562 54.840 -0.128 0.000 0.900 102 L CB -0.644 41.362 42.059 -0.088 0.000 1.146 102 L HN 0.094 nan 8.230 nan 0.000 0.484 103 A N -0.552 122.183 122.820 -0.143 0.000 2.846 103 A HA -0.213 4.098 4.320 -0.014 0.000 0.287 103 A C 1.018 178.543 177.584 -0.098 0.000 1.469 103 A CA 0.921 52.886 52.037 -0.120 0.000 0.757 103 A CB -1.953 16.962 19.000 -0.141 0.000 1.033 103 A HN 0.211 nan 8.150 nan 0.000 0.516 104 L N -0.849 120.318 121.223 -0.095 0.000 2.766 104 L HA 0.262 4.593 4.340 -0.014 0.000 0.242 104 L C 1.831 178.664 176.870 -0.062 0.000 1.136 104 L CA 1.488 56.267 54.840 -0.102 0.000 0.933 104 L CB -0.215 41.756 42.059 -0.146 0.000 1.241 104 L HN 0.617 nan 8.230 nan 0.000 0.522 105 E N -0.163 120.010 120.200 -0.045 0.000 2.058 105 E HA -0.226 4.116 4.350 -0.014 0.000 0.194 105 E C 1.529 178.115 176.600 -0.024 0.000 0.997 105 E CA 1.316 57.700 56.400 -0.027 0.000 0.801 105 E CB 0.278 29.964 29.700 -0.023 0.000 0.746 105 E HN 0.411 nan 8.360 nan 0.000 0.450 106 N N 0.064 118.747 118.700 -0.029 0.000 2.188 106 N HA -0.105 4.627 4.740 -0.014 0.000 0.184 106 N C 1.572 177.066 175.510 -0.026 0.000 1.018 106 N CA 1.161 54.194 53.050 -0.028 0.000 0.858 106 N CB -0.336 38.133 38.487 -0.029 0.000 0.989 106 N HN 0.197 nan 8.380 nan 0.000 0.426 107 A N 0.463 123.266 122.820 -0.029 0.000 1.877 107 A HA -0.153 4.159 4.320 -0.014 0.000 0.216 107 A C 2.645 180.221 177.584 -0.013 0.000 1.186 107 A CA 1.381 53.404 52.037 -0.023 0.000 0.620 107 A CB -1.007 17.971 19.000 -0.038 0.000 0.822 107 A HN 0.439 nan 8.150 nan 0.000 0.443 108 C N -0.890 118.401 119.300 -0.014 0.000 2.440 108 C HA -0.056 4.396 4.460 -0.014 0.000 0.278 108 C C 2.460 177.451 174.990 0.002 0.000 1.295 108 C CA 1.019 60.039 59.018 0.004 0.000 1.738 108 C CB -1.089 26.665 27.740 0.022 0.000 1.987 108 C HN 0.672 nan 8.230 nan 0.000 0.492 109 D N 0.716 121.115 120.400 -0.001 0.000 2.117 109 D HA -0.138 4.494 4.640 -0.014 0.000 0.197 109 D C 2.138 178.449 176.300 0.019 0.000 0.987 109 D CA 1.446 55.446 54.000 0.001 0.000 0.829 109 D CB -0.234 40.554 40.800 -0.019 0.000 0.961 109 D HN 0.458 nan 8.370 nan 0.000 0.460 110 E N 0.313 120.519 120.200 0.010 0.000 2.047 110 E HA -0.048 4.294 4.350 -0.014 0.000 0.191 110 E C 1.892 178.527 176.600 0.058 0.000 0.987 110 E CA 1.585 58.011 56.400 0.043 0.000 0.799 110 E CB -0.554 29.156 29.700 0.017 0.000 0.752 110 E HN 0.198 nan 8.360 nan 0.000 0.449 111 A N -0.112 122.711 122.820 0.006 0.000 1.908 111 A HA -0.216 4.096 4.320 -0.014 0.000 0.218 111 A C 2.486 179.998 177.584 -0.120 0.000 1.181 111 A CA 2.871 54.885 52.037 -0.039 0.000 0.627 111 A CB -1.440 17.541 19.000 -0.030 0.000 0.818 111 A HN 0.518 nan 8.150 nan 0.000 0.445 112 T N -3.791 110.687 114.554 -0.126 0.000 2.857 112 T HA -0.197 4.145 4.350 -0.014 0.000 0.266 112 T C 1.856 176.480 174.700 -0.127 0.000 1.048 112 T CA 1.474 63.443 62.100 -0.218 0.000 1.139 112 T CB -0.588 68.190 68.868 -0.151 0.000 0.874 112 T HN 0.448 nan 8.240 nan 0.000 0.455 113 Y N 2.237 122.458 120.300 -0.131 0.000 2.165 113 Y HA -0.104 4.438 4.550 -0.013 0.000 0.286 113 Y C 2.628 178.468 175.900 -0.100 0.000 1.155 113 Y CA 1.576 59.617 58.100 -0.098 0.000 1.164 113 Y CB -0.527 37.895 38.460 -0.065 0.000 0.978 113 Y HN 0.254 nan 8.280 nan 0.000 0.513 114 Q N -0.968 118.758 119.800 -0.122 0.000 2.291 114 Q HA -0.122 4.209 4.340 -0.014 0.000 0.205 114 Q C 1.485 177.357 176.000 -0.212 0.000 0.970 114 Q CA 0.856 56.550 55.803 -0.182 0.000 0.876 114 Q CB -0.055 28.648 28.738 -0.057 0.000 0.935 114 Q HN 0.355 nan 8.270 nan 0.000 0.455 115 L N -1.027 120.055 121.223 -0.235 0.000 2.591 115 L HA 0.147 4.479 4.340 -0.014 0.000 0.228 115 L C 1.146 177.858 176.870 -0.264 0.000 1.133 115 L CA 1.202 55.891 54.840 -0.252 0.000 0.880 115 L CB -0.288 41.544 42.059 -0.379 0.000 1.033 115 L HN 0.310 nan 8.230 nan 0.000 0.450 116 G N -0.246 108.380 108.800 -0.290 0.000 2.149 116 G HA2 -0.235 3.716 3.960 -0.014 0.000 0.235 116 G HA3 -0.235 3.716 3.960 -0.014 0.000 0.235 116 G C 0.044 174.809 174.900 -0.225 0.000 1.018 116 G CA 0.189 45.130 45.100 -0.265 0.000 0.728 116 G HN 0.268 nan 8.290 nan 0.000 0.508 117 L N -0.191 120.899 121.223 -0.221 0.000 2.354 117 L HA 0.625 4.956 4.340 -0.014 0.000 0.269 117 L C -0.623 176.219 176.870 -0.047 0.000 1.005 117 L CA -1.178 53.560 54.840 -0.170 0.000 0.819 117 L CB 1.944 43.839 42.059 -0.274 0.000 1.311 117 L HN 0.094 nan 8.230 nan 0.000 0.423 118 D N 1.924 122.323 120.400 -0.001 0.000 2.317 118 D HA 0.203 4.835 4.640 -0.014 0.000 0.234 118 D C 0.593 176.921 176.300 0.047 0.000 1.112 118 D CA -0.248 53.780 54.000 0.045 0.000 0.840 118 D CB 1.573 42.405 40.800 0.052 0.000 1.078 118 D HN 0.498 nan 8.370 nan 0.000 0.486 119 M N 3.066 122.694 119.600 0.047 0.000 2.159 119 M HA -0.119 4.353 4.480 -0.014 0.000 0.263 119 M C 1.291 177.630 176.300 0.063 0.000 1.063 119 M CA 1.473 56.808 55.300 0.059 0.000 1.110 119 M CB 0.202 32.830 32.600 0.046 0.000 1.374 119 M HN 0.446 nan 8.290 nan 0.000 0.411 120 E N -0.169 120.059 120.200 0.046 0.000 2.110 120 E HA -0.255 4.086 4.350 -0.014 0.000 0.193 120 E C 1.845 178.471 176.600 0.044 0.000 0.988 120 E CA 1.366 57.789 56.400 0.038 0.000 0.804 120 E CB -0.164 29.554 29.700 0.030 0.000 0.745 120 E HN 0.630 nan 8.360 nan 0.000 0.458 121 E N 0.442 120.675 120.200 0.054 0.000 2.072 121 E HA -0.197 4.145 4.350 -0.014 0.000 0.191 121 E C 1.924 178.562 176.600 0.064 0.000 0.985 121 E CA 0.612 57.046 56.400 0.057 0.000 0.801 121 E CB 0.174 29.911 29.700 0.062 0.000 0.750 121 E HN 0.076 nan 8.360 nan 0.000 0.452 122 L N 1.382 122.664 121.223 0.097 0.000 2.093 122 L HA -0.134 4.197 4.340 -0.014 0.000 0.208 122 L C 2.064 178.989 176.870 0.091 0.000 1.085 122 L CA 1.613 56.542 54.840 0.148 0.000 0.755 122 L CB -0.652 41.547 42.059 0.234 0.000 0.904 122 L HN 0.131 nan 8.230 nan 0.000 0.435 123 E N -0.636 119.608 120.200 0.073 0.000 2.153 123 E HA -0.201 4.140 4.350 -0.014 0.000 0.194 123 E C 1.762 178.317 176.600 -0.075 0.000 0.988 123 E CA 0.837 57.250 56.400 0.021 0.000 0.811 123 E CB 0.019 29.736 29.700 0.028 0.000 0.746 123 E HN 0.411 nan 8.360 nan 0.000 0.466 124 E N 0.143 120.312 120.200 -0.051 0.000 2.418 124 E HA -0.092 4.250 4.350 -0.014 0.000 0.197 124 E C 1.789 178.321 176.600 -0.114 0.000 1.026 124 E CA 0.481 56.850 56.400 -0.053 0.000 0.862 124 E CB 0.084 29.789 29.700 0.009 0.000 0.799 124 E HN 0.403 nan 8.360 nan 0.000 0.518 125 I N 0.771 121.208 120.570 -0.221 0.000 2.500 125 I HA -0.097 4.064 4.170 -0.014 0.000 0.252 125 I C 1.370 177.177 176.117 -0.518 0.000 1.142 125 I CA 0.235 61.337 61.300 -0.330 0.000 1.451 125 I CB 0.140 37.949 38.000 -0.318 0.000 1.093 125 I HN -0.036 nan 8.210 nan 0.000 0.430 126 E N 2.741 122.511 120.200 -0.717 0.000 2.415 126 E HA -0.045 4.297 4.350 -0.014 0.000 0.263 126 E C -0.230 176.272 176.600 -0.164 0.000 0.995 126 E CA -0.182 55.866 56.400 -0.588 0.000 0.915 126 E CB 0.590 30.057 29.700 -0.388 0.000 0.951 126 E HN 0.096 nan 8.360 nan 0.000 0.449 127 E N 3.463 123.661 120.200 -0.003 0.000 2.354 127 E HA 0.051 4.392 4.350 -0.014 0.000 0.269 127 E C -0.780 175.914 176.600 0.158 0.000 1.036 127 E CA -0.199 56.282 56.400 0.136 0.000 0.876 127 E CB 0.697 30.569 29.700 0.286 0.000 1.009 127 E HN 0.494 nan 8.360 nan 0.000 0.416 128 D N 0.769 121.236 120.400 0.111 0.000 2.455 128 D HA 0.133 4.764 4.640 -0.014 0.000 0.241 128 D C -0.283 176.044 176.300 0.046 0.000 1.138 128 D CA 0.214 54.253 54.000 0.065 0.000 0.877 128 D CB 0.559 41.382 40.800 0.039 0.000 1.187 128 D HN 0.372 nan 8.370 nan 0.000 0.451 129 A N 2.429 125.223 122.820 -0.043 0.000 2.671 129 A HA 0.459 4.771 4.320 -0.014 0.000 0.306 129 A C 1.041 178.450 177.584 -0.291 0.000 1.473 129 A CA -0.408 51.392 52.037 -0.395 0.000 1.155 129 A CB -0.346 18.497 19.000 -0.262 0.000 1.123 129 A HN 0.546 nan 8.150 nan 0.000 0.545 130 G N 2.012 110.593 108.800 -0.365 0.000 3.741 130 G HA2 0.412 4.364 3.960 -0.014 0.000 0.263 130 G HA3 0.412 4.364 3.960 -0.014 0.000 0.263 130 G C 0.300 174.967 174.900 -0.388 0.000 1.175 130 G CA -0.299 44.675 45.100 -0.210 0.000 1.642 130 G HN 0.687 nan 8.290 nan 0.000 0.644 131 L N 1.381 122.424 121.223 -0.301 0.000 2.939 131 L HA 0.392 4.724 4.340 -0.014 0.000 0.239 131 L C 1.006 177.795 176.870 -0.136 0.000 1.325 131 L CA -0.211 54.549 54.840 -0.133 0.000 1.170 131 L CB -0.349 41.753 42.059 0.071 0.000 1.538 131 L HN 0.330 nan 8.230 nan 0.000 0.452 132 G N -1.233 107.261 108.800 -0.510 0.000 2.623 132 G HA2 0.173 4.125 3.960 -0.014 0.000 0.290 132 G HA3 0.173 4.125 3.960 -0.014 0.000 0.290 132 G C -0.166 174.253 174.900 -0.802 0.000 1.437 132 G CA -0.465 44.318 45.100 -0.530 0.000 0.798 132 G HN -0.077 nan 8.290 nan 0.000 0.488 133 N N -0.805 117.677 118.700 -0.363 0.000 2.387 133 N HA 0.212 4.943 4.740 -0.014 0.000 0.176 133 N C 1.162 176.696 175.510 0.041 0.000 1.022 133 N CA 1.342 54.285 53.050 -0.177 0.000 0.883 133 N CB 1.213 39.700 38.487 -0.000 0.000 1.019 133 N HN 0.865 nan 8.380 nan 0.000 0.435 134 G N -0.664 108.258 108.800 0.202 0.000 2.649 134 G HA2 0.150 4.102 3.960 -0.014 0.000 0.078 134 G HA3 0.150 4.102 3.960 -0.014 0.000 0.078 134 G C 0.711 175.765 174.900 0.256 0.000 1.110 134 G CA 0.215 45.518 45.100 0.338 0.000 1.269 134 G HN 0.156 nan 8.290 nan 0.000 0.581 135 G N 0.429 109.314 108.800 0.141 0.000 2.446 135 G HA2 -0.037 3.915 3.960 -0.014 0.000 0.217 135 G HA3 -0.037 3.915 3.960 -0.014 0.000 0.217 135 G C 1.904 176.816 174.900 0.019 0.000 1.168 135 G CA 1.532 46.672 45.100 0.067 0.000 0.771 135 G HN 0.866 nan 8.290 nan 0.000 0.551 136 L N 0.613 121.818 121.223 -0.029 0.000 2.046 136 L HA 0.085 4.417 4.340 -0.014 0.000 0.208 136 L C 2.779 179.588 176.870 -0.101 0.000 1.077 136 L CA 2.031 56.757 54.840 -0.191 0.000 0.747 136 L CB -0.533 41.343 42.059 -0.305 0.000 0.896 136 L HN 0.231 nan 8.230 nan 0.000 0.432 137 G N -0.716 108.089 108.800 0.009 0.000 2.403 137 G HA2 -0.277 3.674 3.960 -0.014 0.000 0.216 137 G HA3 -0.277 3.674 3.960 -0.014 0.000 0.216 137 G C 1.635 176.620 174.900 0.141 0.000 1.154 137 G CA 0.618 45.749 45.100 0.052 0.000 0.784 137 G HN 0.296 nan 8.290 nan 0.000 0.538 138 R N -0.015 120.595 120.500 0.183 0.000 2.115 138 R HA 0.149 4.480 4.340 -0.014 0.000 0.226 138 R C 2.283 178.594 176.300 0.018 0.000 1.100 138 R CA 0.713 56.882 56.100 0.115 0.000 0.980 138 R CB -0.849 29.472 30.300 0.036 0.000 0.875 138 R HN 0.321 nan 8.270 nan 0.000 0.445 139 L N 0.201 121.371 121.223 -0.087 0.000 2.046 139 L HA -0.016 4.315 4.340 -0.014 0.000 0.208 139 L C 2.087 178.676 176.870 -0.467 0.000 1.077 139 L CA 2.177 56.825 54.840 -0.321 0.000 0.747 139 L CB -0.862 40.983 42.059 -0.358 0.000 0.896 139 L HN 0.256 nan 8.230 nan 0.000 0.432 140 A N -0.624 122.056 122.820 -0.233 0.000 1.908 140 A HA -0.175 4.137 4.320 -0.014 0.000 0.218 140 A C 2.437 180.080 177.584 0.099 0.000 1.181 140 A CA 1.968 53.936 52.037 -0.115 0.000 0.627 140 A CB -1.156 17.724 19.000 -0.200 0.000 0.818 140 A HN 0.575 nan 8.150 nan 0.000 0.445 141 A N -1.082 121.829 122.820 0.151 0.000 1.873 141 A HA -0.144 4.167 4.320 -0.014 0.000 0.215 141 A C 2.315 179.975 177.584 0.128 0.000 1.186 141 A CA 1.609 53.759 52.037 0.187 0.000 0.616 141 A CB -1.280 17.818 19.000 0.163 0.000 0.823 141 A HN 0.602 nan 8.150 nan 0.000 0.442 142 C N -1.422 117.952 119.300 0.124 0.000 2.429 142 C HA -0.083 4.369 4.460 -0.014 0.000 0.277 142 C C 2.428 177.581 174.990 0.271 0.000 1.262 142 C CA 0.666 59.795 59.018 0.185 0.000 1.733 142 C CB -1.645 26.225 27.740 0.216 0.000 2.010 142 C HN 0.601 nan 8.230 nan 0.000 0.483 143 F N 1.162 121.099 119.950 -0.022 0.000 2.134 143 F HA -0.079 4.440 4.527 -0.014 0.000 0.299 143 F C 2.255 177.996 175.800 -0.098 0.000 1.097 143 F CA 1.032 58.966 58.000 -0.110 0.000 1.264 143 F CB -1.361 37.440 39.000 -0.331 0.000 1.001 143 F HN 0.195 nan 8.300 nan 0.000 0.479 144 L N -0.411 120.888 121.223 0.126 0.000 2.046 144 L HA -0.257 4.075 4.340 -0.014 0.000 0.208 144 L C 2.169 179.048 176.870 0.015 0.000 1.077 144 L CA 1.970 56.837 54.840 0.044 0.000 0.747 144 L CB -0.795 41.291 42.059 0.045 0.000 0.896 144 L HN 0.104 nan 8.230 nan 0.000 0.432 145 D N -0.485 119.934 120.400 0.032 0.000 2.104 145 D HA -0.184 4.448 4.640 -0.014 0.000 0.194 145 D C 2.213 178.527 176.300 0.024 0.000 0.994 145 D CA 1.568 55.573 54.000 0.009 0.000 0.830 145 D CB 0.194 40.998 40.800 0.007 0.000 0.959 145 D HN 0.082 nan 8.370 nan 0.000 0.452 146 S N -0.820 114.911 115.700 0.052 0.000 2.383 146 S HA -0.095 4.366 4.470 -0.014 0.000 0.227 146 S C 1.983 176.593 174.600 0.018 0.000 1.026 146 S CA 0.819 59.042 58.200 0.038 0.000 0.981 146 S CB -0.207 63.022 63.200 0.047 0.000 0.818 146 S HN 0.337 nan 8.310 nan 0.000 0.472 147 M N 0.932 120.535 119.600 0.005 0.000 2.159 147 M HA -0.105 4.366 4.480 -0.014 0.000 0.263 147 M C 2.437 178.735 176.300 -0.003 0.000 1.063 147 M CA 1.439 56.738 55.300 -0.001 0.000 1.110 147 M CB -0.495 32.085 32.600 -0.034 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.311 122.504 122.820 -0.009 0.000 1.898 148 A HA -0.116 4.196 4.320 -0.014 0.000 0.216 148 A C 2.156 179.751 177.584 0.020 0.000 1.181 148 A CA 1.989 54.025 52.037 -0.003 0.000 0.620 148 A CB -1.046 17.935 19.000 -0.031 0.000 0.819 148 A HN 0.421 nan 8.150 nan 0.000 0.442 149 T N 0.242 114.813 114.554 0.028 0.000 2.915 149 T HA 0.004 4.346 4.350 -0.014 0.000 0.269 149 T C 1.318 176.047 174.700 0.048 0.000 1.071 149 T CA 1.091 63.223 62.100 0.052 0.000 1.132 149 T CB -0.253 68.655 68.868 0.066 0.000 0.878 149 T HN 0.333 nan 8.240 nan 0.000 0.479 150 L N 0.430 121.677 121.223 0.041 0.000 2.653 150 L HA 0.307 4.639 4.340 -0.014 0.000 0.231 150 L C 1.605 178.506 176.870 0.052 0.000 1.153 150 L CA -0.093 54.773 54.840 0.044 0.000 0.933 150 L CB -0.313 41.771 42.059 0.042 0.000 1.175 150 L HN 0.397 nan 8.230 nan 0.000 0.473 151 G N 1.077 109.911 108.800 0.057 0.000 2.249 151 G HA2 -0.286 3.666 3.960 -0.014 0.000 0.273 151 G HA3 -0.286 3.666 3.960 -0.014 0.000 0.273 151 G C 0.109 175.062 174.900 0.089 0.000 1.036 151 G CA 0.036 45.189 45.100 0.088 0.000 0.824 151 G HN 0.280 nan 8.290 nan 0.000 0.504 152 L N -0.126 121.116 121.223 0.032 0.000 2.350 152 L HA 0.603 4.935 4.340 -0.014 0.000 0.275 152 L C 1.249 178.001 176.870 -0.197 0.000 1.099 152 L CA -0.349 54.460 54.840 -0.051 0.000 0.808 152 L CB 1.564 43.602 42.059 -0.036 0.000 1.149 152 L HN 0.259 nan 8.230 nan 0.000 0.442 153 A N 3.108 125.668 122.820 -0.432 0.000 3.026 153 A HA 0.540 4.851 4.320 -0.014 0.000 0.272 153 A C 0.322 177.529 177.584 -0.629 0.000 1.782 153 A CA -0.125 51.364 52.037 -0.914 0.000 1.451 153 A CB -0.711 17.640 19.000 -1.081 0.000 1.081 153 A HN 0.695 nan 8.150 nan 0.000 0.611 154 A N 1.391 123.880 122.820 -0.551 0.000 2.340 154 A HA 0.798 5.110 4.320 -0.014 0.000 0.331 154 A C -1.048 176.209 177.584 -0.545 0.000 1.140 154 A CA -0.467 51.310 52.037 -0.433 0.000 0.801 154 A CB 0.799 19.635 19.000 -0.272 0.000 1.234 154 A HN 0.606 nan 8.150 nan 0.000 0.469 155 Y N 0.322 120.555 120.300 -0.113 0.000 2.373 155 Y HA 0.528 5.070 4.550 -0.014 0.000 0.336 155 Y C 0.827 176.820 175.900 0.154 0.000 0.979 155 Y CA -0.526 57.585 58.100 0.018 0.000 1.080 155 Y CB 2.357 40.917 38.460 0.167 0.000 1.190 155 Y HN 0.841 nan 8.280 nan 0.000 0.446 156 G N 2.295 111.180 108.800 0.141 0.000 2.339 156 G HA2 0.422 4.373 3.960 -0.014 0.000 0.287 156 G HA3 0.422 4.373 3.960 -0.014 0.000 0.287 156 G C -1.673 173.236 174.900 0.015 0.000 1.163 156 G CA -0.208 44.998 45.100 0.176 0.000 0.872 156 G HN 0.534 nan 8.290 nan 0.000 0.464 157 Y N 1.184 121.704 120.300 0.366 0.000 2.350 157 Y HA 0.616 5.157 4.550 -0.014 0.000 0.338 157 Y C 0.774 176.976 175.900 0.503 0.000 0.961 157 Y CA 0.191 58.481 58.100 0.317 0.000 1.100 157 Y CB 2.614 41.289 38.460 0.358 0.000 1.179 157 Y HN 0.859 nan 8.280 nan 0.000 0.454 158 G N 2.416 111.527 108.800 0.518 0.000 2.846 158 G HA2 0.612 4.563 3.960 -0.014 0.000 0.299 158 G HA3 0.612 4.563 3.960 -0.014 0.000 0.299 158 G C -1.732 173.403 174.900 0.391 0.000 1.242 158 G CA -0.835 44.601 45.100 0.560 0.000 0.800 158 G HN 0.423 nan 8.290 nan 0.000 0.538 159 I N 0.590 121.287 120.570 0.212 0.000 2.433 159 I HA 0.425 4.586 4.170 -0.014 0.000 0.292 159 I C 0.281 176.304 176.117 -0.156 0.000 1.001 159 I CA -0.708 60.598 61.300 0.010 0.000 1.119 159 I CB 2.219 40.031 38.000 -0.314 0.000 1.289 159 I HN 0.348 nan 8.210 nan 0.000 0.438 160 R N 6.223 126.729 120.500 0.010 0.000 2.612 160 R HA 0.219 4.551 4.340 -0.014 0.000 0.273 160 R C -1.239 175.103 176.300 0.070 0.000 1.376 160 R CA -0.399 55.739 56.100 0.062 0.000 1.171 160 R CB -0.050 30.260 30.300 0.017 0.000 1.151 160 R HN 0.401 nan 8.270 nan 0.000 0.560 161 Y N 1.533 121.990 120.300 0.261 0.000 2.425 161 Y HA -0.072 4.470 4.550 -0.014 0.000 0.331 161 Y C 1.590 177.664 175.900 0.290 0.000 1.157 161 Y CA 0.037 58.282 58.100 0.241 0.000 1.372 161 Y CB 0.817 39.400 38.460 0.205 0.000 1.253 161 Y HN 0.590 nan 8.280 nan 0.000 0.536 162 E N 2.199 122.567 120.200 0.281 0.000 2.106 162 E HA -0.078 4.263 4.350 -0.014 0.000 0.192 162 E C -0.735 175.719 176.600 -0.244 0.000 0.984 162 E CA 0.731 57.087 56.400 -0.074 0.000 0.806 162 E CB 0.170 29.721 29.700 -0.247 0.000 0.750 162 E HN 0.512 nan 8.360 nan 0.000 0.458 163 F N -0.249 119.918 119.950 0.362 0.000 2.477 163 F HA 0.444 4.962 4.527 -0.014 0.000 0.335 163 F C 0.770 176.667 175.800 0.161 0.000 1.130 163 F CA -0.848 57.325 58.000 0.288 0.000 0.948 163 F CB 1.877 40.976 39.000 0.165 0.000 1.154 163 F HN -0.107 nan 8.300 nan 0.000 0.439 164 G N 1.822 110.744 108.800 0.204 0.000 2.531 164 G HA2 0.355 4.306 3.960 -0.014 0.000 0.253 164 G HA3 0.355 4.306 3.960 -0.014 0.000 0.253 164 G C -0.547 174.320 174.900 -0.056 0.000 1.439 164 G CA -0.696 44.364 45.100 -0.068 0.000 1.056 164 G HN 0.537 nan 8.290 nan 0.000 0.555 165 I N 1.007 121.465 120.570 -0.187 0.000 2.752 165 I HA 0.189 4.351 4.170 -0.014 0.000 0.289 165 I C 0.567 176.599 176.117 -0.142 0.000 1.197 165 I CA -1.102 60.066 61.300 -0.221 0.000 1.432 165 I CB -0.361 37.409 38.000 -0.383 0.000 1.359 165 I HN 0.324 nan 8.210 nan 0.000 0.571 166 F N 6.306 126.268 119.950 0.020 0.000 2.628 166 F HA 0.222 4.740 4.527 -0.014 0.000 0.362 166 F C 0.542 176.391 175.800 0.083 0.000 1.148 166 F CA -0.557 57.476 58.000 0.055 0.000 1.352 166 F CB -0.334 38.686 39.000 0.034 0.000 1.081 166 F HN 0.425 nan 8.300 nan 0.000 0.605 167 N N 2.479 121.348 118.700 0.281 0.000 2.470 167 N HA 0.034 4.765 4.740 -0.014 0.000 0.268 167 N C -0.747 174.992 175.510 0.382 0.000 1.136 167 N CA -0.221 52.970 53.050 0.235 0.000 0.961 167 N CB 1.121 39.733 38.487 0.209 0.000 1.067 167 N HN 0.750 nan 8.380 nan 0.000 0.468 168 Q N 2.591 122.587 119.800 0.327 0.000 2.296 168 Q HA 0.147 4.478 4.340 -0.014 0.000 0.257 168 Q C -0.902 175.263 176.000 0.275 0.000 0.942 168 Q CA -0.363 55.672 55.803 0.386 0.000 0.939 168 Q CB 0.638 29.605 28.738 0.381 0.000 1.198 168 Q HN 0.215 nan 8.270 nan 0.000 0.429 169 K N 4.090 124.629 120.400 0.232 0.000 2.207 169 K HA 0.464 4.776 4.320 -0.014 0.000 0.255 169 K C -0.568 176.128 176.600 0.160 0.000 0.941 169 K CA -0.874 55.525 56.287 0.186 0.000 0.825 169 K CB 1.518 34.107 32.500 0.148 0.000 1.119 169 K HN 0.625 nan 8.250 nan 0.000 0.430 170 I N 1.866 122.522 120.570 0.143 0.000 2.330 170 I HA 0.169 4.331 4.170 -0.014 0.000 0.289 170 I C -0.113 176.058 176.117 0.089 0.000 1.001 170 I CA -0.718 60.637 61.300 0.092 0.000 1.193 170 I CB 0.915 38.949 38.000 0.057 0.000 1.345 170 I HN 0.450 nan 8.210 nan 0.000 0.461 171 C N 5.079 124.442 119.300 0.105 0.000 2.346 171 C HA 0.630 5.081 4.460 -0.014 0.000 0.326 171 C C 1.131 176.222 174.990 0.167 0.000 1.224 171 C CA 0.271 59.357 59.018 0.113 0.000 1.408 171 C CB -0.047 27.754 27.740 0.101 0.000 2.089 171 C HN 1.102 nan 8.230 nan 0.000 0.456 172 G N 3.932 112.804 108.800 0.120 0.000 2.225 172 G HA2 0.075 4.026 3.960 -0.014 0.000 0.267 172 G HA3 0.075 4.026 3.960 -0.014 0.000 0.267 172 G C 1.202 176.121 174.900 0.033 0.000 1.024 172 G CA 1.174 46.355 45.100 0.136 0.000 0.784 172 G HN 2.583 nan 8.290 nan 0.000 0.507 173 G N -2.946 105.811 108.800 -0.071 0.000 2.176 173 G HA2 -0.283 3.668 3.960 -0.014 0.000 0.253 173 G HA3 -0.283 3.668 3.960 -0.014 0.000 0.253 173 G C 0.328 174.977 174.900 -0.418 0.000 0.979 173 G CA 0.620 45.549 45.100 -0.285 0.000 0.641 173 G HN 1.198 nan 8.290 nan 0.000 0.530 174 W N 0.814 122.056 121.300 -0.097 0.000 2.512 174 W HA 0.662 5.314 4.660 -0.014 0.000 0.335 174 W C 0.627 177.089 176.519 -0.095 0.000 1.088 174 W CA -0.937 56.345 57.345 -0.105 0.000 1.236 174 W CB 0.876 30.293 29.460 -0.072 0.000 1.307 174 W HN 0.252 nan 8.180 nan 0.000 0.567 175 Q N 3.237 123.129 119.800 0.154 0.000 2.311 175 Q HA 0.188 4.520 4.340 -0.014 0.000 0.272 175 Q C -0.539 175.519 176.000 0.096 0.000 1.012 175 Q CA 0.297 56.164 55.803 0.107 0.000 0.891 175 Q CB 0.509 29.304 28.738 0.095 0.000 1.201 175 Q HN 0.320 nan 8.270 nan 0.000 0.391 176 M N 3.105 122.756 119.600 0.085 0.000 2.535 176 M HA 0.396 4.868 4.480 -0.014 0.000 0.314 176 M C -1.065 175.246 176.300 0.018 0.000 1.153 176 M CA -0.703 54.614 55.300 0.029 0.000 0.924 176 M CB 1.844 34.472 32.600 0.047 0.000 1.710 176 M HN 0.606 nan 8.290 nan 0.000 0.451 177 E N 1.594 121.736 120.200 -0.097 0.000 2.179 177 E HA 0.498 4.840 4.350 -0.014 0.000 0.275 177 E C -0.791 175.806 176.600 -0.005 0.000 0.945 177 E CA -0.601 55.714 56.400 -0.140 0.000 0.792 177 E CB 1.716 31.077 29.700 -0.566 0.000 1.125 177 E HN 0.525 nan 8.360 nan 0.000 0.397 178 E N 0.663 120.937 120.200 0.123 0.000 2.367 178 E HA 0.724 5.066 4.350 -0.014 0.000 0.273 178 E C -1.102 175.588 176.600 0.151 0.000 0.903 178 E CA -1.565 54.895 56.400 0.100 0.000 0.764 178 E CB 1.400 31.160 29.700 0.100 0.000 1.252 178 E HN 0.448 nan 8.360 nan 0.000 0.446 179 A N 1.890 124.757 122.820 0.078 0.000 2.546 179 A HA 0.045 4.356 4.320 -0.014 0.000 0.243 179 A C -0.077 177.674 177.584 0.278 0.000 1.063 179 A CA 0.280 52.375 52.037 0.096 0.000 0.757 179 A CB -0.132 18.788 19.000 -0.133 0.000 0.991 179 A HN 0.680 nan 8.150 nan 0.000 0.503 180 D N 1.945 122.574 120.400 0.382 0.000 2.483 180 D HA 0.174 4.805 4.640 -0.014 0.000 0.220 180 D C -0.337 176.291 176.300 0.547 0.000 1.173 180 D CA -0.167 54.066 54.000 0.388 0.000 0.964 180 D CB 0.296 41.260 40.800 0.274 0.000 1.046 180 D HN 0.389 nan 8.370 nan 0.000 0.517 181 D N 3.778 124.463 120.400 0.474 0.000 2.801 181 D HA -0.029 4.603 4.640 -0.014 0.000 0.232 181 D C 1.133 177.564 176.300 0.219 0.000 1.128 181 D CA -0.521 53.681 54.000 0.335 0.000 1.003 181 D CB -0.206 40.786 40.800 0.321 0.000 1.110 181 D HN 0.559 nan 8.370 nan 0.000 0.477 182 W N 1.562 122.895 121.300 0.055 0.000 2.525 182 W HA -0.035 4.617 4.660 -0.014 0.000 0.259 182 W C 0.134 176.706 176.519 0.088 0.000 1.253 182 W CA 0.108 57.508 57.345 0.091 0.000 1.262 182 W CB -0.720 28.796 29.460 0.092 0.000 1.122 182 W HN 0.172 nan 8.180 nan 0.000 0.607 183 L N 0.928 121.783 121.223 -0.614 0.000 2.607 183 L HA 0.186 4.518 4.340 -0.014 0.000 0.228 183 L C 2.766 179.471 176.870 -0.276 0.000 1.123 183 L CA -0.017 54.439 54.840 -0.639 0.000 0.890 183 L CB -0.628 40.923 42.059 -0.846 0.000 1.103 183 L HN -0.116 nan 8.230 nan 0.000 0.468 184 R N 0.502 120.900 120.500 -0.169 0.000 2.113 184 R HA -0.234 4.097 4.340 -0.014 0.000 0.244 184 R C 1.416 177.555 176.300 -0.268 0.000 1.142 184 R CA 2.116 58.086 56.100 -0.217 0.000 0.953 184 R CB -0.188 29.967 30.300 -0.242 0.000 0.860 184 R HN 0.309 nan 8.270 nan 0.000 0.438 185 Y N -0.524 119.790 120.300 0.025 0.000 2.466 185 Y HA 0.308 4.850 4.550 -0.014 0.000 0.272 185 Y C 0.845 176.734 175.900 -0.018 0.000 1.169 185 Y CA 0.478 58.604 58.100 0.043 0.000 1.285 185 Y CB 0.872 39.472 38.460 0.233 0.000 1.078 185 Y HN 0.425 nan 8.280 nan 0.000 0.523 186 G N 1.289 110.133 108.800 0.074 0.000 2.699 186 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.686 186 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.686 186 G C -1.266 173.709 174.900 0.124 0.000 1.301 186 G CA -0.810 44.300 45.100 0.016 0.000 0.816 186 G HN 0.253 nan 8.290 nan 0.000 0.595 187 N N 1.203 119.923 118.700 0.032 0.000 2.524 187 N HA 0.588 5.320 4.740 -0.014 0.000 0.261 187 N C -0.676 174.842 175.510 0.014 0.000 0.998 187 N CA -2.019 51.072 53.050 0.068 0.000 0.915 187 N CB 2.050 40.515 38.487 -0.038 0.000 1.187 187 N HN 0.237 nan 8.380 nan 0.000 0.507 188 P HA 0.024 nan 4.420 nan 0.000 0.233 188 P C 0.559 177.548 177.300 -0.518 0.000 1.167 188 P CA 0.739 63.531 63.100 -0.514 0.000 0.770 188 P CB 0.105 31.188 31.700 -1.029 0.000 0.837 189 W N 1.822 123.136 121.300 0.023 0.000 2.640 189 W HA 0.065 4.717 4.660 -0.014 0.000 0.268 189 W C 1.262 177.828 176.519 0.077 0.000 1.263 189 W CA -0.338 57.017 57.345 0.016 0.000 1.344 189 W CB -0.267 29.201 29.460 0.013 0.000 1.093 189 W HN -0.011 nan 8.180 nan 0.000 0.603 190 E N 1.792 122.173 120.200 0.302 0.000 2.319 190 E HA 0.305 4.647 4.350 -0.014 0.000 0.268 190 E C -0.625 176.148 176.600 0.288 0.000 1.050 190 E CA -0.703 55.884 56.400 0.312 0.000 0.878 190 E CB 1.308 31.203 29.700 0.324 0.000 1.066 190 E HN -0.319 nan 8.360 nan 0.000 0.406 191 K N 1.788 122.367 120.400 0.298 0.000 2.483 191 K HA 0.405 4.716 4.320 -0.014 0.000 0.256 191 K C -1.112 175.509 176.600 0.035 0.000 0.961 191 K CA -0.487 55.904 56.287 0.174 0.000 0.873 191 K CB 1.469 34.066 32.500 0.162 0.000 1.107 191 K HN 0.666 nan 8.250 nan 0.000 0.432 192 A N 4.167 126.922 122.820 -0.109 0.000 2.540 192 A HA 0.271 4.582 4.320 -0.014 0.000 0.239 192 A C -0.210 177.202 177.584 -0.286 0.000 1.061 192 A CA 0.038 51.749 52.037 -0.542 0.000 0.758 192 A CB 0.192 18.872 19.000 -0.533 0.000 0.991 192 A HN 0.679 nan 8.150 nan 0.000 0.502 193 R N 3.132 123.461 120.500 -0.285 0.000 2.886 193 R HA 0.199 4.530 4.340 -0.014 0.000 0.306 193 R C -2.342 173.944 176.300 -0.023 0.000 1.300 193 R CA -1.655 54.419 56.100 -0.044 0.000 1.441 193 R CB 0.592 30.979 30.300 0.145 0.000 1.328 193 R HN 0.564 nan 8.270 nan 0.000 0.629 194 P HA -0.191 nan 4.420 nan 0.000 0.221 194 P C 0.955 178.224 177.300 -0.052 0.000 1.145 194 P CA 1.130 64.201 63.100 -0.050 0.000 0.795 194 P CB 0.363 32.027 31.700 -0.061 0.000 0.775 195 E N -0.270 119.841 120.200 -0.147 0.000 2.268 195 E HA -0.135 4.207 4.350 -0.014 0.000 0.195 195 E C 0.757 177.128 176.600 -0.382 0.000 0.995 195 E CA 0.868 57.084 56.400 -0.307 0.000 0.836 195 E CB -0.883 28.530 29.700 -0.478 0.000 0.763 195 E HN 0.279 nan 8.360 nan 0.000 0.491 196 F N 2.007 121.969 119.950 0.020 0.000 2.668 196 F HA 0.235 4.754 4.527 -0.014 0.000 0.297 196 F C 0.458 176.350 175.800 0.153 0.000 1.124 196 F CA -0.272 57.771 58.000 0.071 0.000 1.353 196 F CB 0.243 39.277 39.000 0.056 0.000 0.992 196 F HN -0.289 nan 8.300 nan 0.000 0.524 197 T N 2.814 117.505 114.554 0.228 0.000 2.928 197 T HA 0.253 4.595 4.350 -0.014 0.000 0.305 197 T C -0.228 174.573 174.700 0.169 0.000 1.035 197 T CA 0.345 62.580 62.100 0.225 0.000 1.145 197 T CB 0.609 69.560 68.868 0.138 0.000 0.963 197 T HN -0.169 nan 8.240 nan 0.000 0.545 198 L N 5.753 127.052 121.223 0.126 0.000 2.370 198 L HA 0.552 4.884 4.340 -0.014 0.000 0.266 198 L C -2.217 174.615 176.870 -0.064 0.000 1.002 198 L CA -2.590 52.252 54.840 0.004 0.000 0.818 198 L CB 1.903 43.901 42.059 -0.101 0.000 1.325 198 L HN 0.383 nan 8.230 nan 0.000 0.418 199 P HA 0.350 nan 4.420 nan 0.000 0.284 199 P C -1.141 176.036 177.300 -0.206 0.000 1.253 199 P CA -0.349 62.673 63.100 -0.130 0.000 0.800 199 P CB 1.617 33.235 31.700 -0.136 0.000 0.961 200 V N 3.979 123.757 119.914 -0.226 0.000 2.540 200 V HA 0.322 4.434 4.120 -0.014 0.000 0.302 200 V C 0.188 176.079 176.094 -0.339 0.000 1.035 200 V CA -0.613 61.538 62.300 -0.248 0.000 0.873 200 V CB 1.392 33.107 31.823 -0.181 0.000 0.992 200 V HN 0.599 nan 8.190 nan 0.000 0.428 201 H N 3.891 122.813 119.070 -0.247 0.000 2.463 201 H HA 0.618 5.166 4.556 -0.014 0.000 0.332 201 H C -1.276 173.805 175.328 -0.412 0.000 1.127 201 H CA -0.124 55.715 56.048 -0.349 0.000 1.238 201 H CB 1.879 31.202 29.762 -0.731 0.000 1.478 201 H HN 0.482 nan 8.280 nan 0.000 0.499 202 F N 0.397 120.435 119.950 0.146 0.000 2.613 202 F HA 0.207 4.726 4.527 -0.014 0.000 0.314 202 F C -0.237 175.704 175.800 0.235 0.000 1.075 202 F CA -0.541 57.548 58.000 0.147 0.000 0.945 202 F CB 1.116 40.116 39.000 -0.000 0.000 1.310 202 F HN 0.561 nan 8.300 nan 0.000 0.467 203 Y N 0.206 120.808 120.300 0.504 0.000 2.896 203 Y HA -0.026 4.515 4.550 -0.014 0.000 0.466 203 Y C 1.387 177.541 175.900 0.423 0.000 1.197 203 Y CA 0.686 58.999 58.100 0.354 0.000 2.513 203 Y CB -1.927 36.671 38.460 0.230 0.000 1.232 203 Y HN 1.280 nan 8.280 nan 0.000 0.632 204 G N 0.744 109.820 108.800 0.460 0.000 2.598 204 G HA2 0.082 4.034 3.960 -0.014 0.000 0.244 204 G HA3 0.082 4.034 3.960 -0.014 0.000 0.244 204 G C -0.527 174.585 174.900 0.352 0.000 1.302 204 G CA 1.045 46.342 45.100 0.327 0.000 0.903 204 G HN 1.381 nan 8.290 nan 0.000 0.575 205 R N -2.619 118.088 120.500 0.345 0.000 2.733 205 R HA 0.680 5.012 4.340 -0.014 0.000 0.272 205 R C -1.484 174.951 176.300 0.225 0.000 1.029 205 R CA -0.960 55.282 56.100 0.236 0.000 0.888 205 R CB 1.281 31.667 30.300 0.144 0.000 1.251 205 R HN 0.906 nan 8.270 nan 0.000 0.464 206 V N 1.178 121.142 119.914 0.082 0.000 2.370 206 V HA 0.333 4.445 4.120 -0.014 0.000 0.279 206 V C -0.159 175.872 176.094 -0.105 0.000 1.029 206 V CA -0.521 61.754 62.300 -0.041 0.000 0.870 206 V CB 1.279 33.011 31.823 -0.151 0.000 0.984 206 V HN 0.667 nan 8.190 nan 0.000 0.451 207 E N 3.371 123.492 120.200 -0.132 0.000 2.191 207 E HA 0.426 4.768 4.350 -0.014 0.000 0.278 207 E C -0.948 175.497 176.600 -0.258 0.000 0.972 207 E CA -0.701 55.632 56.400 -0.113 0.000 0.804 207 E CB 1.149 30.834 29.700 -0.024 0.000 1.110 207 E HN 0.668 nan 8.360 nan 0.000 0.394 208 H N 1.894 120.978 119.070 0.023 0.000 2.504 208 H HA 0.226 4.774 4.556 -0.014 0.000 0.322 208 H C 0.182 175.519 175.328 0.014 0.000 1.055 208 H CA -0.315 55.742 56.048 0.015 0.000 1.231 208 H CB 1.418 31.184 29.762 0.007 0.000 1.417 208 H HN 0.577 nan 8.280 nan 0.000 0.472 209 T N -0.921 113.694 114.554 0.102 0.000 2.841 209 T HA 0.199 4.541 4.350 -0.014 0.000 0.276 209 T C 1.362 176.098 174.700 0.060 0.000 1.003 209 T CA -0.687 61.451 62.100 0.064 0.000 0.995 209 T CB 0.971 69.861 68.868 0.036 0.000 1.260 209 T HN 0.367 nan 8.240 nan 0.000 0.581 210 S N -0.055 115.669 115.700 0.041 0.000 2.382 210 S HA -0.078 4.383 4.470 -0.014 0.000 0.228 210 S C 1.215 175.834 174.600 0.033 0.000 1.027 210 S CA 1.020 59.239 58.200 0.032 0.000 0.991 210 S CB -0.436 62.778 63.200 0.024 0.000 0.823 210 S HN 0.726 nan 8.310 nan 0.000 0.469 211 Q N 0.918 120.737 119.800 0.032 0.000 2.923 211 Q HA 0.503 4.835 4.340 -0.014 0.000 0.363 211 Q C 0.363 176.384 176.000 0.035 0.000 1.159 211 Q CA 0.114 55.935 55.803 0.030 0.000 1.073 211 Q CB -0.193 28.558 28.738 0.023 0.000 1.364 211 Q HN 0.452 nan 8.270 nan 0.000 0.466 212 G N 0.443 109.274 108.800 0.051 0.000 2.725 212 G HA2 -0.012 3.940 3.960 -0.014 0.000 0.220 212 G HA3 -0.012 3.940 3.960 -0.014 0.000 0.220 212 G C -0.564 174.372 174.900 0.061 0.000 1.357 212 G CA -0.585 44.554 45.100 0.064 0.000 0.866 212 G HN 0.806 nan 8.290 nan 0.000 0.548 213 A N -0.087 122.757 122.820 0.039 0.000 2.302 213 A HA 0.744 5.055 4.320 -0.014 0.000 0.285 213 A C 0.400 177.941 177.584 -0.072 0.000 1.105 213 A CA 0.231 52.218 52.037 -0.084 0.000 0.816 213 A CB 0.730 19.653 19.000 -0.128 0.000 1.067 213 A HN 0.756 nan 8.150 nan 0.000 0.489 214 K N 0.733 121.074 120.400 -0.098 0.000 2.443 214 K HA 0.203 4.514 4.320 -0.014 0.000 0.252 214 K C -1.897 174.735 176.600 0.054 0.000 0.933 214 K CA -0.352 55.925 56.287 -0.016 0.000 0.792 214 K CB 2.220 34.712 32.500 -0.012 0.000 1.185 214 K HN 0.738 nan 8.250 nan 0.000 0.425 215 W N 5.242 126.460 121.300 -0.135 0.000 2.308 215 W HA 0.359 5.011 4.660 -0.014 0.000 0.311 215 W C -0.650 175.808 176.519 -0.100 0.000 1.088 215 W CA -0.773 56.499 57.345 -0.122 0.000 1.309 215 W CB 0.195 29.570 29.460 -0.142 0.000 1.229 215 W HN 0.314 nan 8.180 nan 0.000 0.427 216 V N 2.732 122.695 119.914 0.082 0.000 3.126 216 V HA 0.611 4.723 4.120 -0.014 0.000 0.314 216 V C -0.215 175.856 176.094 -0.039 0.000 1.138 216 V CA -0.989 61.285 62.300 -0.044 0.000 1.034 216 V CB 1.981 33.807 31.823 0.005 0.000 1.075 216 V HN 0.463 nan 8.190 nan 0.000 0.442 217 D N 0.218 120.596 120.400 -0.037 0.000 2.772 217 D HA -0.138 4.494 4.640 -0.014 0.000 0.233 217 D C 0.549 176.855 176.300 0.009 0.000 1.143 217 D CA 1.534 55.534 54.000 0.001 0.000 0.700 217 D CB -1.638 39.184 40.800 0.037 0.000 1.076 217 D HN 1.314 nan 8.370 nan 0.000 0.430 218 T N -2.845 111.671 114.554 -0.062 0.000 2.882 218 T HA 0.486 4.827 4.350 -0.014 0.000 0.287 218 T C 0.458 175.211 174.700 0.088 0.000 1.014 218 T CA -0.729 61.350 62.100 -0.035 0.000 1.049 218 T CB 1.922 70.615 68.868 -0.291 0.000 1.001 218 T HN 0.045 nan 8.240 nan 0.000 0.525 219 Q N 0.559 120.479 119.800 0.200 0.000 2.241 219 Q HA 0.574 4.906 4.340 -0.014 0.000 0.254 219 Q C -0.969 175.156 176.000 0.209 0.000 0.917 219 Q CA -0.877 55.063 55.803 0.227 0.000 0.919 219 Q CB 1.883 30.822 28.738 0.334 0.000 1.237 219 Q HN 0.517 nan 8.270 nan 0.000 0.434 220 V N 3.118 123.117 119.914 0.142 0.000 2.435 220 V HA 0.403 4.514 4.120 -0.014 0.000 0.290 220 V C -0.354 175.840 176.094 0.167 0.000 1.030 220 V CA -0.642 61.665 62.300 0.011 0.000 0.881 220 V CB 1.679 33.444 31.823 -0.096 0.000 0.983 220 V HN 0.491 nan 8.190 nan 0.000 0.445 221 V N 5.985 126.006 119.914 0.179 0.000 2.555 221 V HA 0.486 4.597 4.120 -0.014 0.000 0.302 221 V C -0.126 176.073 176.094 0.174 0.000 1.038 221 V CA -0.663 61.763 62.300 0.210 0.000 0.887 221 V CB 1.919 33.944 31.823 0.337 0.000 0.991 221 V HN 0.634 nan 8.190 nan 0.000 0.434 222 L N 3.555 124.871 121.223 0.155 0.000 2.350 222 L HA 0.719 5.051 4.340 -0.014 0.000 0.275 222 L C 0.462 177.512 176.870 0.299 0.000 1.099 222 L CA -0.301 54.632 54.840 0.155 0.000 0.808 222 L CB 1.282 43.411 42.059 0.116 0.000 1.149 222 L HN 0.760 nan 8.230 nan 0.000 0.442 223 A N 5.181 128.126 122.820 0.209 0.000 2.267 223 A HA 0.577 4.888 4.320 -0.014 0.000 0.315 223 A C -0.476 177.381 177.584 0.456 0.000 1.297 223 A CA -0.476 51.720 52.037 0.265 0.000 0.865 223 A CB 0.902 19.623 19.000 -0.464 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 5.891 125.814 119.600 0.538 0.000 2.129 224 M HA 0.470 4.942 4.480 -0.014 0.000 0.348 224 M C -2.624 173.940 176.300 0.441 0.000 1.116 224 M CA -2.113 53.446 55.300 0.432 0.000 1.022 224 M CB 1.957 34.734 32.600 0.295 0.000 1.599 224 M HN 0.330 nan 8.290 nan 0.000 0.449 225 P HA 0.268 nan 4.420 nan 0.000 0.288 225 P C -1.942 175.287 177.300 -0.118 0.000 1.267 225 P CA -0.020 62.968 63.100 -0.186 0.000 0.815 225 P CB 0.507 31.885 31.700 -0.537 0.000 0.989 226 Y N 0.632 120.854 120.300 -0.129 0.000 2.331 226 Y HA 0.335 4.877 4.550 -0.014 0.000 0.334 226 Y C 0.212 176.082 175.900 -0.050 0.000 0.960 226 Y CA -0.294 57.788 58.100 -0.029 0.000 1.130 226 Y CB 1.302 39.782 38.460 0.034 0.000 1.164 226 Y HN 0.220 nan 8.280 nan 0.000 0.458 227 D N 1.939 122.423 120.400 0.140 0.000 2.193 227 D HA 0.404 5.035 4.640 -0.014 0.000 0.244 227 D C -0.590 175.928 176.300 0.364 0.000 1.064 227 D CA -0.210 53.909 54.000 0.197 0.000 0.845 227 D CB 1.730 42.646 40.800 0.194 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.464 228 T N 3.158 117.848 114.554 0.226 0.000 2.824 228 T HA 0.475 4.816 4.350 -0.014 0.000 0.282 228 T C -2.530 172.033 174.700 -0.230 0.000 0.993 228 T CA -1.493 60.647 62.100 0.068 0.000 0.967 228 T CB 2.047 70.938 68.868 0.038 0.000 0.960 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.313 nan 4.420 nan 0.000 0.275 229 P C -0.991 175.967 177.300 -0.570 0.000 1.227 229 P CA -0.394 62.001 63.100 -1.174 0.000 0.781 229 P CB 0.801 31.575 31.700 -1.543 0.000 0.906 230 V N 5.404 125.049 119.914 -0.448 0.000 2.305 230 V HA 0.262 4.374 4.120 -0.014 0.000 0.275 230 V C -2.078 173.876 176.094 -0.232 0.000 1.020 230 V CA -1.929 60.204 62.300 -0.279 0.000 0.811 230 V CB 1.298 33.008 31.823 -0.189 0.000 1.031 230 V HN 0.538 nan 8.190 nan 0.000 0.439 231 P HA 0.272 nan 4.420 nan 0.000 0.281 231 P C 0.375 177.620 177.300 -0.091 0.000 1.252 231 P CA 0.275 63.281 63.100 -0.157 0.000 0.778 231 P CB 1.521 33.126 31.700 -0.159 0.000 0.895 232 G N 2.296 111.061 108.800 -0.057 0.000 2.572 232 G HA2 0.124 4.076 3.960 -0.014 0.000 0.261 232 G HA3 0.124 4.076 3.960 -0.014 0.000 0.261 232 G C -1.135 173.774 174.900 0.016 0.000 1.197 232 G CA -0.561 44.535 45.100 -0.007 0.000 0.870 232 G HN 0.512 nan 8.290 nan 0.000 0.548 233 Y N 1.009 121.271 120.300 -0.064 0.000 2.624 233 Y HA 0.229 4.770 4.550 -0.014 0.000 0.354 233 Y C 1.356 177.219 175.900 -0.062 0.000 1.051 233 Y CA -0.144 57.914 58.100 -0.070 0.000 1.377 233 Y CB -0.103 38.314 38.460 -0.072 0.000 1.168 233 Y HN 0.734 nan 8.280 nan 0.000 0.525 234 R N 3.110 123.326 120.500 -0.474 0.000 3.502 234 R HA -0.324 4.007 4.340 -0.014 0.000 0.266 234 R C 0.101 176.266 176.300 -0.225 0.000 1.077 234 R CA 1.347 57.186 56.100 -0.435 0.000 0.718 234 R CB -2.049 27.828 30.300 -0.705 0.000 1.120 234 R HN 0.950 nan 8.270 nan 0.000 0.457 235 N N -0.845 117.774 118.700 -0.135 0.000 2.177 235 N HA 0.047 4.779 4.740 -0.014 0.000 0.218 235 N C -0.060 175.407 175.510 -0.073 0.000 1.182 235 N CA -0.475 52.527 53.050 -0.079 0.000 0.882 235 N CB 0.498 38.964 38.487 -0.035 0.000 1.052 235 N HN 0.092 nan 8.380 nan 0.000 0.519 236 N N -0.206 118.446 118.700 -0.081 0.000 2.778 236 N HA -0.134 4.597 4.740 -0.014 0.000 0.249 236 N C -0.907 174.566 175.510 -0.062 0.000 1.069 236 N CA 0.596 53.606 53.050 -0.067 0.000 0.831 236 N CB -1.276 37.172 38.487 -0.065 0.000 1.142 236 N HN 0.183 nan 8.380 nan 0.000 0.573 237 V N 1.290 121.172 119.914 -0.054 0.000 2.498 237 V HA 0.393 4.505 4.120 -0.014 0.000 0.279 237 V C 0.623 176.689 176.094 -0.046 0.000 1.048 237 V CA -0.413 61.862 62.300 -0.040 0.000 0.967 237 V CB 2.015 33.839 31.823 0.001 0.000 0.988 237 V HN -0.027 nan 8.190 nan 0.000 0.473 238 V N 5.405 125.297 119.914 -0.036 0.000 2.447 238 V HA 0.445 4.556 4.120 -0.014 0.000 0.292 238 V C -0.094 175.994 176.094 -0.010 0.000 1.021 238 V CA -0.862 61.386 62.300 -0.087 0.000 0.850 238 V CB 1.489 33.226 31.823 -0.144 0.000 1.005 238 V HN 0.834 nan 8.190 nan 0.000 0.426 239 N N 1.946 120.608 118.700 -0.062 0.000 2.448 239 N HA 0.572 5.304 4.740 -0.014 0.000 0.274 239 N C -0.067 175.428 175.510 -0.026 0.000 1.239 239 N CA -0.306 52.728 53.050 -0.026 0.000 0.982 239 N CB 1.308 39.736 38.487 -0.099 0.000 1.199 239 N HN 0.593 nan 8.380 nan 0.000 0.576 240 T N 0.779 115.330 114.554 -0.004 0.000 2.829 240 T HA 0.398 4.739 4.350 -0.014 0.000 0.280 240 T C -0.204 174.468 174.700 -0.046 0.000 0.999 240 T CA -0.505 61.666 62.100 0.119 0.000 0.983 240 T CB 1.027 70.084 68.868 0.315 0.000 0.968 240 T HN 0.293 nan 8.240 nan 0.000 0.446 241 M N 3.769 123.305 119.600 -0.106 0.000 2.101 241 M HA 0.486 4.957 4.480 -0.014 0.000 0.340 241 M C -0.435 175.715 176.300 -0.250 0.000 1.057 241 M CA -0.747 54.400 55.300 -0.256 0.000 0.984 241 M CB 0.675 33.069 32.600 -0.344 0.000 1.560 241 M HN 0.479 nan 8.290 nan 0.000 0.435 242 R N 5.988 126.226 120.500 -0.436 0.000 2.265 242 R HA 0.599 4.931 4.340 -0.014 0.000 0.328 242 R C -1.904 174.093 176.300 -0.506 0.000 0.969 242 R CA -0.410 55.373 56.100 -0.529 0.000 0.832 242 R CB 0.787 30.577 30.300 -0.850 0.000 1.139 242 R HN 0.808 nan 8.270 nan 0.000 0.457 243 L N 5.152 126.188 121.223 -0.311 0.000 2.322 243 L HA 0.490 4.821 4.340 -0.014 0.000 0.281 243 L C -0.794 176.020 176.870 -0.093 0.000 1.014 243 L CA -0.917 53.840 54.840 -0.140 0.000 0.815 243 L CB 1.443 43.511 42.059 0.016 0.000 1.247 243 L HN 0.583 nan 8.230 nan 0.000 0.421 244 W N 1.950 123.363 121.300 0.188 0.000 2.315 244 W HA 0.469 5.121 4.660 -0.014 0.000 0.316 244 W C 0.556 177.290 176.519 0.359 0.000 1.211 244 W CA -0.185 57.296 57.345 0.227 0.000 1.201 244 W CB 1.469 30.938 29.460 0.015 0.000 1.184 244 W HN 0.347 nan 8.180 nan 0.000 0.544 245 S N 1.969 118.068 115.700 0.664 0.000 2.482 245 S HA 0.774 5.236 4.470 -0.014 0.000 0.303 245 S C -0.456 174.472 174.600 0.548 0.000 1.091 245 S CA -0.721 57.773 58.200 0.490 0.000 1.057 245 S CB 0.653 64.076 63.200 0.372 0.000 1.031 245 S HN 0.529 nan 8.310 nan 0.000 0.485 246 A N 4.822 127.809 122.820 0.277 0.000 2.366 246 A HA 0.643 4.955 4.320 -0.014 0.000 0.272 246 A C -0.126 177.516 177.584 0.096 0.000 1.135 246 A CA -0.286 51.813 52.037 0.103 0.000 0.804 246 A CB 0.353 19.135 19.000 -0.364 0.000 1.064 246 A HN 0.664 nan 8.150 nan 0.000 0.499 247 K N 1.310 121.780 120.400 0.118 0.000 2.443 247 K HA 0.576 4.887 4.320 -0.014 0.000 0.252 247 K C -0.458 176.130 176.600 -0.021 0.000 0.933 247 K CA -0.412 55.906 56.287 0.051 0.000 0.792 247 K CB 2.186 34.748 32.500 0.104 0.000 1.185 247 K HN 0.851 nan 8.250 nan 0.000 0.425 248 A N 4.626 127.364 122.820 -0.137 0.000 2.425 248 A HA 0.392 4.704 4.320 -0.014 0.000 0.249 248 A C -2.077 175.477 177.584 -0.049 0.000 1.084 248 A CA -0.906 50.976 52.037 -0.258 0.000 0.781 248 A CB -0.353 18.292 19.000 -0.592 0.000 1.019 248 A HN 0.349 nan 8.150 nan 0.000 0.490 249 P HA 0.099 nan 4.420 nan 0.000 0.272 249 P C 0.057 177.438 177.300 0.136 0.000 1.230 249 P CA -0.356 62.810 63.100 0.110 0.000 0.788 249 P CB 0.579 32.367 31.700 0.146 0.000 0.949 250 N N 0.884 119.646 118.700 0.103 0.000 2.396 250 N HA -0.119 4.613 4.740 -0.014 0.000 0.180 250 N C 0.833 176.415 175.510 0.121 0.000 1.028 250 N CA 1.055 54.164 53.050 0.099 0.000 0.893 250 N CB -0.477 38.053 38.487 0.072 0.000 0.967 250 N HN 0.546 nan 8.380 nan 0.000 0.440 251 D N -0.903 119.570 120.400 0.122 0.000 2.325 251 D HA -0.080 4.551 4.640 -0.014 0.000 0.225 251 D C 0.077 176.447 176.300 0.116 0.000 1.096 251 D CA -0.534 53.527 54.000 0.103 0.000 0.844 251 D CB -1.025 39.815 40.800 0.067 0.000 0.925 251 D HN 0.067 nan 8.370 nan 0.000 0.513 252 F N 2.262 122.224 119.950 0.020 0.000 2.590 252 F HA 0.038 4.556 4.527 -0.014 0.000 0.389 252 F C 0.611 176.414 175.800 0.005 0.000 1.049 252 F CA 0.265 58.273 58.000 0.014 0.000 1.199 252 F CB 0.060 39.068 39.000 0.014 0.000 1.058 252 F HN -0.163 nan 8.300 nan 0.000 0.556 253 N N 3.139 121.523 118.700 -0.526 0.000 2.713 253 N HA -0.268 4.464 4.740 -0.014 0.000 0.251 253 N C -0.868 174.575 175.510 -0.110 0.000 1.117 253 N CA 1.390 54.237 53.050 -0.338 0.000 0.770 253 N CB -1.359 36.954 38.487 -0.290 0.000 1.137 253 N HN 0.562 nan 8.380 nan 0.000 0.566 262 Y N 0.704 121.010 120.300 0.010 0.000 2.097 262 Y HA -0.109 4.432 4.550 -0.014 0.000 0.282 262 Y C 2.681 178.595 175.900 0.023 0.000 1.152 262 Y CA 2.400 60.510 58.100 0.016 0.000 1.136 262 Y CB -0.068 38.401 38.460 0.014 0.000 0.975 262 Y HN 0.243 nan 8.280 nan 0.000 0.498 263 I N 0.371 120.900 120.570 -0.069 0.000 2.179 263 I HA -0.300 3.862 4.170 -0.014 0.000 0.242 263 I C 2.382 178.412 176.117 -0.147 0.000 1.088 263 I CA 1.831 63.037 61.300 -0.156 0.000 1.357 263 I CB -1.388 36.620 38.000 0.013 0.000 1.051 263 I HN 0.334 nan 8.210 nan 0.000 0.409 264 Q N 1.124 120.885 119.800 -0.066 0.000 2.124 264 Q HA -0.116 4.215 4.340 -0.014 0.000 0.202 264 Q C 2.227 178.199 176.000 -0.046 0.000 0.977 264 Q CA 2.215 57.994 55.803 -0.040 0.000 0.850 264 Q CB -0.352 28.379 28.738 -0.012 0.000 0.901 264 Q HN 0.475 nan 8.270 nan 0.000 0.429 265 A N -0.799 121.979 122.820 -0.071 0.000 1.902 265 A HA -0.139 4.172 4.320 -0.014 0.000 0.217 265 A C 2.249 179.816 177.584 -0.028 0.000 1.181 265 A CA 1.679 53.690 52.037 -0.043 0.000 0.623 265 A CB -0.769 18.202 19.000 -0.047 0.000 0.818 265 A HN 0.269 nan 8.150 nan 0.000 0.443 266 V N 0.160 119.973 119.914 -0.169 0.000 2.358 266 V HA -0.225 3.887 4.120 -0.014 0.000 0.246 266 V C 2.512 178.571 176.094 -0.058 0.000 1.047 266 V CA 1.821 64.033 62.300 -0.147 0.000 1.035 266 V CB -0.740 30.896 31.823 -0.312 0.000 0.658 266 V HN 0.572 nan 8.190 nan 0.000 0.452 267 L N -0.195 120.993 121.223 -0.060 0.000 2.191 267 L HA -0.151 4.180 4.340 -0.014 0.000 0.212 267 L C 1.983 178.862 176.870 0.015 0.000 1.103 267 L CA 1.219 56.046 54.840 -0.023 0.000 0.769 267 L CB -0.670 41.376 42.059 -0.022 0.000 0.908 267 L HN 0.331 nan 8.230 nan 0.000 0.438 268 D N -0.004 120.430 120.400 0.057 0.000 2.378 268 D HA -0.069 4.562 4.640 -0.014 0.000 0.227 268 D C 2.123 178.538 176.300 0.191 0.000 1.012 268 D CA 0.447 54.526 54.000 0.132 0.000 0.905 268 D CB 0.019 40.916 40.800 0.161 0.000 0.895 268 D HN 0.222 nan 8.370 nan 0.000 0.532 269 R N 0.206 120.749 120.500 0.071 0.000 2.152 269 R HA -0.045 4.286 4.340 -0.014 0.000 0.232 269 R C 1.684 177.847 176.300 -0.229 0.000 1.117 269 R CA 0.827 56.799 56.100 -0.213 0.000 0.981 269 R CB -0.238 29.970 30.300 -0.154 0.000 0.870 269 R HN 0.337 nan 8.270 nan 0.000 0.451 270 N N 0.314 118.963 118.700 -0.085 0.000 2.192 270 N HA -0.189 4.543 4.740 -0.014 0.000 0.188 270 N C 1.207 176.682 175.510 -0.060 0.000 1.013 270 N CA 0.749 53.765 53.050 -0.057 0.000 0.863 270 N CB -0.093 38.386 38.487 -0.014 0.000 0.990 270 N HN 0.019 nan 8.380 nan 0.000 0.430 271 L N 1.081 122.284 121.223 -0.034 0.000 2.012 271 L HA -0.144 4.187 4.340 -0.014 0.000 0.210 271 L C 2.466 179.301 176.870 -0.059 0.000 1.073 271 L CA 1.492 56.333 54.840 0.001 0.000 0.748 271 L CB -1.048 41.071 42.059 0.100 0.000 0.891 271 L HN 0.161 nan 8.230 nan 0.000 0.431 272 A N -0.867 121.845 122.820 -0.181 0.000 1.898 272 A HA -0.172 4.140 4.320 -0.014 0.000 0.216 272 A C 2.167 179.633 177.584 -0.198 0.000 1.181 272 A CA 1.437 53.336 52.037 -0.229 0.000 0.620 272 A CB -0.453 18.247 19.000 -0.501 0.000 0.819 272 A HN 0.520 nan 8.150 nan 0.000 0.442 273 E N 0.007 120.098 120.200 -0.182 0.000 2.427 273 E HA -0.079 4.262 4.350 -0.014 0.000 0.196 273 E C 1.079 177.634 176.600 -0.074 0.000 1.028 273 E CA 0.259 56.588 56.400 -0.119 0.000 0.864 273 E CB -0.141 29.508 29.700 -0.086 0.000 0.813 273 E HN 0.460 nan 8.360 nan 0.000 0.514 274 N N 1.053 119.717 118.700 -0.060 0.000 2.443 274 N HA -0.115 4.616 4.740 -0.014 0.000 0.184 274 N C 1.591 177.091 175.510 -0.015 0.000 1.037 274 N CA 0.676 53.719 53.050 -0.012 0.000 0.896 274 N CB -0.072 38.414 38.487 -0.002 0.000 0.959 274 N HN 0.258 nan 8.380 nan 0.000 0.442 275 I N 0.320 120.822 120.570 -0.114 0.000 2.194 275 I HA -0.258 3.903 4.170 -0.014 0.000 0.246 275 I C 1.521 177.593 176.117 -0.075 0.000 1.093 275 I CA 1.320 62.520 61.300 -0.168 0.000 1.355 275 I CB -0.220 37.511 38.000 -0.448 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.425 115.224 115.700 -0.086 0.000 2.582 276 S HA 0.173 4.634 4.470 -0.014 0.000 0.234 276 S C 1.510 176.234 174.600 0.207 0.000 0.961 276 S CA -0.491 57.746 58.200 0.061 0.000 0.953 276 S CB 0.181 63.403 63.200 0.038 0.000 0.800 276 S HN 0.215 nan 8.310 nan 0.000 0.471 277 R N 1.247 121.875 120.500 0.213 0.000 2.073 277 R HA 0.270 4.602 4.340 -0.014 0.000 0.229 277 R C 0.364 176.918 176.300 0.424 0.000 1.120 277 R CA 1.111 57.382 56.100 0.285 0.000 0.967 277 R CB -0.221 30.211 30.300 0.219 0.000 0.862 277 R HN 0.390 nan 8.270 nan 0.000 0.436 278 V N 0.453 120.583 119.914 0.359 0.000 2.851 278 V HA 0.350 4.461 4.120 -0.014 0.000 0.307 278 V C -1.598 174.489 176.094 -0.012 0.000 1.129 278 V CA -1.372 61.064 62.300 0.226 0.000 0.932 278 V CB 1.764 33.641 31.823 0.090 0.000 1.024 278 V HN 0.152 nan 8.190 nan 0.000 0.426 279 L N 7.015 127.997 121.223 -0.401 0.000 2.410 279 L HA 0.455 4.787 4.340 -0.014 0.000 0.273 279 L C -0.786 175.940 176.870 -0.241 0.000 1.144 279 L CA 0.457 54.853 54.840 -0.739 0.000 0.863 279 L CB 0.396 41.936 42.059 -0.866 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.039 127.250 120.300 -0.147 0.000 2.650 280 Y HA 0.168 4.710 4.550 -0.014 0.000 0.331 280 Y C -1.380 174.513 175.900 -0.012 0.000 1.165 280 Y CA -1.183 56.901 58.100 -0.025 0.000 1.473 280 Y CB 0.261 38.729 38.460 0.013 0.000 1.224 280 Y HN 0.569 nan 8.280 nan 0.000 0.533 281 P HA 0.038 nan 4.420 nan 0.000 0.244 281 P C -0.898 176.536 177.300 0.223 0.000 1.632 281 P CA 0.082 63.291 63.100 0.181 0.000 0.944 281 P CB 0.085 31.985 31.700 0.334 0.000 1.569 282 N N 1.244 120.083 118.700 0.232 0.000 2.426 282 N HA 0.171 4.902 4.740 -0.014 0.000 0.275 282 N C -0.704 174.959 175.510 0.255 0.000 1.019 282 N CA 0.010 53.225 53.050 0.275 0.000 0.941 282 N CB 1.195 39.896 38.487 0.357 0.000 1.123 282 N HN 0.069 nan 8.380 nan 0.000 0.486 283 D N 1.180 121.757 120.400 0.295 0.000 2.280 283 D HA 0.223 4.855 4.640 -0.014 0.000 0.236 283 D C -0.318 176.259 176.300 0.461 0.000 1.082 283 D CA -0.301 53.907 54.000 0.346 0.000 0.834 283 D CB 0.277 41.309 40.800 0.387 0.000 1.100 283 D HN 0.251 nan 8.370 nan 0.000 0.486 284 N N 2.806 121.712 118.700 0.342 0.000 2.714 284 N HA -0.257 4.475 4.740 -0.014 0.000 0.252 284 N C -1.444 174.298 175.510 0.387 0.000 1.014 284 N CA 0.775 54.001 53.050 0.294 0.000 0.735 284 N CB -0.969 37.627 38.487 0.180 0.000 0.924 284 N HN 0.396 nan 8.380 nan 0.000 0.540 285 F N 0.366 120.423 119.950 0.178 0.000 2.604 285 F HA 0.455 4.974 4.527 -0.014 0.000 0.316 285 F C -1.203 174.677 175.800 0.134 0.000 1.136 285 F CA -1.350 56.727 58.000 0.127 0.000 0.989 285 F CB 0.938 39.977 39.000 0.065 0.000 1.258 285 F HN -0.011 nan 8.300 nan 0.000 0.451 286 F N 6.096 125.585 119.950 -0.768 0.000 2.411 286 F HA 0.443 4.961 4.527 -0.014 0.000 0.355 286 F C -0.361 174.850 175.800 -0.980 0.000 1.117 286 F CA -0.126 57.456 58.000 -0.697 0.000 1.139 286 F CB 0.630 39.313 39.000 -0.528 0.000 1.120 286 F HN 0.592 nan 8.300 nan 0.000 0.493 287 E N 4.212 123.715 120.200 -1.161 0.000 2.155 287 E HA 0.301 4.643 4.350 -0.014 0.000 0.264 287 E C -0.111 175.745 176.600 -1.241 0.000 0.886 287 E CA -0.750 55.073 56.400 -0.960 0.000 0.752 287 E CB 1.391 30.912 29.700 -0.299 0.000 1.133 287 E HN 0.919 nan 8.360 nan 0.000 0.414 288 G N 5.203 113.234 108.800 -1.281 0.000 3.316 288 G HA2 0.051 4.002 3.960 -0.014 0.000 0.255 288 G HA3 0.051 4.002 3.960 -0.014 0.000 0.255 288 G C -0.095 174.711 174.900 -0.157 0.000 0.880 288 G CA -0.212 44.299 45.100 -0.981 0.000 1.956 288 G HN 0.184 nan 8.290 nan 0.000 0.634 289 K N 0.430 120.817 120.400 -0.022 0.000 2.138 289 K HA 0.214 4.525 4.320 -0.014 0.000 0.263 289 K C 0.904 177.643 176.600 0.232 0.000 0.965 289 K CA -0.726 55.638 56.287 0.129 0.000 0.868 289 K CB 2.341 34.918 32.500 0.127 0.000 1.083 289 K HN 0.402 nan 8.250 nan 0.000 0.443 290 E N 1.649 121.950 120.200 0.169 0.000 2.085 290 E HA -0.218 4.123 4.350 -0.014 0.000 0.194 290 E C 1.497 178.125 176.600 0.048 0.000 0.994 290 E CA 1.097 57.546 56.400 0.083 0.000 0.801 290 E CB 0.177 29.927 29.700 0.084 0.000 0.743 290 E HN 0.397 nan 8.360 nan 0.000 0.453 291 L N 1.306 122.601 121.223 0.120 0.000 2.079 291 L HA -0.178 4.153 4.340 -0.014 0.000 0.210 291 L C 2.469 179.435 176.870 0.160 0.000 1.081 291 L CA 1.827 56.755 54.840 0.146 0.000 0.752 291 L CB -0.535 41.672 42.059 0.248 0.000 0.896 291 L HN 0.013 nan 8.230 nan 0.000 0.433 292 R N -0.607 119.944 120.500 0.086 0.000 2.081 292 R HA -0.168 4.164 4.340 -0.014 0.000 0.235 292 R C 2.125 178.464 176.300 0.065 0.000 1.131 292 R CA 1.887 57.957 56.100 -0.050 0.000 0.960 292 R CB -1.026 29.031 30.300 -0.406 0.000 0.856 292 R HN 0.408 nan 8.270 nan 0.000 0.436 293 L N 0.910 122.090 121.223 -0.072 0.000 2.046 293 L HA -0.088 4.243 4.340 -0.014 0.000 0.208 293 L C 1.721 178.533 176.870 -0.098 0.000 1.077 293 L CA 1.913 56.509 54.840 -0.407 0.000 0.747 293 L CB -0.416 41.094 42.059 -0.916 0.000 0.896 293 L HN 0.162 nan 8.230 nan 0.000 0.432 294 K N -0.993 119.397 120.400 -0.018 0.000 2.057 294 K HA -0.204 4.107 4.320 -0.014 0.000 0.207 294 K C 2.091 178.856 176.600 0.276 0.000 1.049 294 K CA 1.823 58.172 56.287 0.104 0.000 0.931 294 K CB -0.194 32.185 32.500 -0.202 0.000 0.714 294 K HN 0.513 nan 8.250 nan 0.000 0.440 295 Q N 0.614 120.538 119.800 0.208 0.000 2.084 295 Q HA -0.192 4.139 4.340 -0.014 0.000 0.202 295 Q C 1.962 178.158 176.000 0.327 0.000 0.978 295 Q CA 1.475 57.455 55.803 0.295 0.000 0.844 295 Q CB -0.032 28.896 28.738 0.316 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.426 296 E N -0.206 120.140 120.200 0.243 0.000 2.077 296 E HA -0.209 4.132 4.350 -0.014 0.000 0.193 296 E C 1.740 178.453 176.600 0.188 0.000 0.989 296 E CA 1.014 57.540 56.400 0.210 0.000 0.800 296 E CB -0.135 29.668 29.700 0.173 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.476 120.820 120.300 0.072 0.000 2.220 297 Y HA -0.210 4.332 4.550 -0.014 0.000 0.291 297 Y C 1.988 177.917 175.900 0.048 0.000 1.129 297 Y CA 1.054 59.152 58.100 -0.004 0.000 1.161 297 Y CB -0.419 38.004 38.460 -0.062 0.000 0.997 297 Y HN 0.009 nan 8.280 nan 0.000 0.522 298 F N -0.233 119.714 119.950 -0.004 0.000 2.065 298 F HA -0.273 4.245 4.527 -0.014 0.000 0.298 298 F C 2.507 178.160 175.800 -0.244 0.000 1.112 298 F CA 2.105 60.054 58.000 -0.086 0.000 1.212 298 F CB -1.086 38.016 39.000 0.170 0.000 0.975 298 F HN -0.043 nan 8.300 nan 0.000 0.476 299 V N -0.513 119.357 119.914 -0.074 0.000 2.427 299 V HA -0.196 3.915 4.120 -0.014 0.000 0.248 299 V C 2.183 178.126 176.094 -0.253 0.000 1.051 299 V CA 1.931 64.153 62.300 -0.130 0.000 1.048 299 V CB -0.384 31.564 31.823 0.210 0.000 0.666 299 V HN 0.261 nan 8.190 nan 0.000 0.456 300 V N 0.442 120.216 119.914 -0.233 0.000 2.307 300 V HA -0.169 3.943 4.120 -0.014 0.000 0.245 300 V C 2.814 178.652 176.094 -0.426 0.000 1.045 300 V CA 2.137 64.287 62.300 -0.250 0.000 1.024 300 V CB -1.055 30.681 31.823 -0.145 0.000 0.651 300 V HN 0.648 nan 8.190 nan 0.000 0.449 301 A N -0.145 122.248 122.820 -0.712 0.000 1.873 301 A HA -0.099 4.213 4.320 -0.014 0.000 0.215 301 A C 2.415 179.631 177.584 -0.613 0.000 1.186 301 A CA 2.096 53.708 52.037 -0.708 0.000 0.616 301 A CB -0.864 17.494 19.000 -1.071 0.000 0.823 301 A HN 0.559 nan 8.150 nan 0.000 0.442 302 A N -0.994 121.300 122.820 -0.877 0.000 1.877 302 A HA -0.090 4.222 4.320 -0.014 0.000 0.216 302 A C 2.321 179.424 177.584 -0.802 0.000 1.186 302 A CA 2.362 53.699 52.037 -1.166 0.000 0.620 302 A CB -1.363 16.283 19.000 -2.256 0.000 0.822 302 A HN 0.432 nan 8.150 nan 0.000 0.443 303 T N 0.239 114.456 114.554 -0.563 0.000 2.684 303 T HA -0.133 4.208 4.350 -0.014 0.000 0.267 303 T C 1.757 176.206 174.700 -0.419 0.000 1.036 303 T CA 1.666 63.559 62.100 -0.344 0.000 1.148 303 T CB -0.357 68.315 68.868 -0.327 0.000 0.863 303 T HN 0.214 nan 8.240 nan 0.000 0.436 304 L N 1.073 122.092 121.223 -0.341 0.000 2.083 304 L HA -0.067 4.264 4.340 -0.014 0.000 0.209 304 L C 2.662 179.424 176.870 -0.180 0.000 1.083 304 L CA 1.593 56.282 54.840 -0.252 0.000 0.752 304 L CB -0.775 41.174 42.059 -0.184 0.000 0.899 304 L HN 0.311 nan 8.230 nan 0.000 0.433 305 Q N -1.006 118.687 119.800 -0.178 0.000 2.084 305 Q HA -0.249 4.083 4.340 -0.014 0.000 0.202 305 Q C 1.841 177.819 176.000 -0.037 0.000 0.978 305 Q CA 1.681 57.429 55.803 -0.091 0.000 0.844 305 Q CB -0.199 28.474 28.738 -0.108 0.000 0.898 305 Q HN 0.433 nan 8.270 nan 0.000 0.426 306 D N 0.542 120.912 120.400 -0.050 0.000 2.117 306 D HA -0.110 4.522 4.640 -0.014 0.000 0.197 306 D C 1.691 177.946 176.300 -0.075 0.000 0.987 306 D CA 0.890 54.907 54.000 0.028 0.000 0.829 306 D CB -0.054 40.861 40.800 0.192 0.000 0.961 306 D HN 0.155 nan 8.370 nan 0.000 0.460 307 I N 0.122 120.534 120.570 -0.264 0.000 2.163 307 I HA -0.264 3.897 4.170 -0.014 0.000 0.243 307 I C 2.306 178.432 176.117 0.016 0.000 1.085 307 I CA 0.847 61.930 61.300 -0.361 0.000 1.347 307 I CB -0.179 37.458 38.000 -0.606 0.000 1.044 307 I HN 0.055 nan 8.210 nan 0.000 0.408 308 I N 0.101 120.738 120.570 0.112 0.000 2.252 308 I HA -0.277 3.885 4.170 -0.014 0.000 0.245 308 I C 2.781 179.064 176.117 0.278 0.000 1.102 308 I CA 1.105 62.587 61.300 0.302 0.000 1.385 308 I CB -0.416 37.716 38.000 0.220 0.000 1.064 308 I HN 0.176 nan 8.210 nan 0.000 0.414 309 R N 1.194 121.790 120.500 0.159 0.000 2.083 309 R HA -0.234 4.097 4.340 -0.014 0.000 0.237 309 R C 2.505 178.886 176.300 0.135 0.000 1.137 309 R CA 1.843 58.025 56.100 0.137 0.000 0.951 309 R CB -0.279 30.090 30.300 0.114 0.000 0.851 309 R HN 0.220 nan 8.270 nan 0.000 0.434 310 R N -0.577 119.999 120.500 0.127 0.000 2.096 310 R HA -0.170 4.162 4.340 -0.014 0.000 0.235 310 R C 2.196 178.593 176.300 0.161 0.000 1.127 310 R CA 1.695 57.871 56.100 0.127 0.000 0.968 310 R CB -0.386 29.974 30.300 0.100 0.000 0.861 310 R HN 0.293 nan 8.270 nan 0.000 0.440 311 F N 1.443 121.430 119.950 0.063 0.000 2.171 311 F HA -0.119 4.400 4.527 -0.014 0.000 0.300 311 F C 1.678 177.488 175.800 0.016 0.000 1.090 311 F CA 1.555 59.584 58.000 0.047 0.000 1.293 311 F CB 0.042 39.119 39.000 0.128 0.000 1.013 311 F HN -0.125 nan 8.300 nan 0.000 0.486 312 K N -0.379 119.979 120.400 -0.070 0.000 2.155 312 K HA -0.006 4.306 4.320 -0.014 0.000 0.203 312 K C 1.466 177.979 176.600 -0.144 0.000 1.052 312 K CA 1.161 57.334 56.287 -0.191 0.000 0.948 312 K CB -0.202 32.297 32.500 -0.001 0.000 0.728 312 K HN 0.085 nan 8.250 nan 0.000 0.448 313 S N 1.382 117.060 115.700 -0.035 0.000 2.768 313 S HA 0.109 4.571 4.470 -0.014 0.000 0.246 313 S C 0.097 174.718 174.600 0.035 0.000 1.006 313 S CA -0.274 57.946 58.200 0.034 0.000 1.075 313 S CB 0.100 63.366 63.200 0.110 0.000 0.786 313 S HN 0.126 nan 8.310 nan 0.000 0.468 325 N N 0.744 119.414 118.700 -0.050 0.000 2.500 325 N HA 0.313 5.045 4.740 -0.014 0.000 0.236 325 N C -0.637 174.926 175.510 0.089 0.000 1.022 325 N CA -0.145 52.938 53.050 0.056 0.000 0.935 325 N CB 0.372 38.889 38.487 0.050 0.000 1.147 325 N HN 0.142 nan 8.380 nan 0.000 0.512 326 F N 1.887 121.946 119.950 0.181 0.000 2.797 326 F HA 0.112 4.630 4.527 -0.014 0.000 0.302 326 F C 1.366 177.233 175.800 0.111 0.000 1.130 326 F CA -0.073 58.010 58.000 0.137 0.000 1.387 326 F CB 0.375 39.336 39.000 -0.064 0.000 1.107 326 F HN 0.469 nan 8.300 nan 0.000 0.577 327 D N 0.482 121.023 120.400 0.235 0.000 2.182 327 D HA -0.172 4.459 4.640 -0.014 0.000 0.201 327 D C 2.177 178.571 176.300 0.156 0.000 0.986 327 D CA 1.307 55.402 54.000 0.159 0.000 0.847 327 D CB -0.085 40.784 40.800 0.115 0.000 0.942 327 D HN 0.237 nan 8.370 nan 0.000 0.467 328 A N -0.810 122.131 122.820 0.203 0.000 2.251 328 A HA 0.100 4.412 4.320 -0.014 0.000 0.209 328 A C 1.582 179.291 177.584 0.210 0.000 1.187 328 A CA -0.262 51.894 52.037 0.198 0.000 0.823 328 A CB -0.737 18.386 19.000 0.205 0.000 0.846 328 A HN 0.217 nan 8.150 nan 0.000 0.486 329 F N 1.941 121.859 119.950 -0.053 0.000 2.065 329 F HA -0.154 4.365 4.527 -0.014 0.000 0.298 329 F C -0.747 174.944 175.800 -0.182 0.000 1.112 329 F CA 2.653 60.404 58.000 -0.415 0.000 1.212 329 F CB -0.565 38.187 39.000 -0.414 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.094 nan 4.420 nan 0.000 0.226 330 P C 0.717 177.974 177.300 -0.071 0.000 1.153 330 P CA 1.428 64.495 63.100 -0.054 0.000 0.777 330 P CB -0.078 31.618 31.700 -0.006 0.000 0.794 331 D N -0.734 119.646 120.400 -0.032 0.000 2.317 331 D HA -0.041 4.591 4.640 -0.014 0.000 0.211 331 D C 1.507 177.794 176.300 -0.023 0.000 0.966 331 D CA 0.943 54.936 54.000 -0.011 0.000 0.876 331 D CB 0.094 40.909 40.800 0.025 0.000 0.927 331 D HN 0.155 nan 8.370 nan 0.000 0.519 332 K N -0.063 120.302 120.400 -0.059 0.000 2.412 332 K HA 0.209 4.521 4.320 -0.014 0.000 0.202 332 K C -0.089 176.429 176.600 -0.136 0.000 1.102 332 K CA 0.076 56.340 56.287 -0.039 0.000 1.027 332 K CB 2.370 34.949 32.500 0.132 0.000 0.931 332 K HN -0.066 nan 8.250 nan 0.000 0.557 333 V N 1.096 120.840 119.914 -0.284 0.000 2.686 333 V HA 0.600 4.711 4.120 -0.014 0.000 0.306 333 V C -1.055 174.946 176.094 -0.154 0.000 1.065 333 V CA -1.252 60.877 62.300 -0.284 0.000 0.894 333 V CB 1.808 33.160 31.823 -0.784 0.000 1.004 333 V HN 0.119 nan 8.190 nan 0.000 0.424 334 A N 5.739 128.521 122.820 -0.065 0.000 2.343 334 A HA 0.927 5.239 4.320 -0.014 0.000 0.316 334 A C -0.934 176.676 177.584 0.043 0.000 1.104 334 A CA -0.499 51.530 52.037 -0.012 0.000 0.768 334 A CB 0.986 19.931 19.000 -0.092 0.000 1.213 334 A HN 0.772 nan 8.150 nan 0.000 0.456 335 I N 1.879 122.517 120.570 0.114 0.000 2.382 335 I HA 0.288 4.449 4.170 -0.014 0.000 0.286 335 I C -0.336 175.873 176.117 0.155 0.000 1.002 335 I CA -0.545 60.834 61.300 0.132 0.000 1.135 335 I CB 1.893 39.951 38.000 0.098 0.000 1.288 335 I HN 0.683 nan 8.210 nan 0.000 0.448 336 Q N 6.755 126.643 119.800 0.147 0.000 2.314 336 Q HA 0.501 4.832 4.340 -0.014 0.000 0.259 336 Q C -1.275 174.716 176.000 -0.015 0.000 0.951 336 Q CA -0.247 55.663 55.803 0.179 0.000 0.909 336 Q CB 1.306 30.262 28.738 0.363 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.782 125.040 121.223 0.059 0.000 2.261 337 L HA 0.393 4.725 4.340 -0.014 0.000 0.289 337 L C 0.055 176.951 176.870 0.044 0.000 1.059 337 L CA -0.745 54.123 54.840 0.046 0.000 0.816 337 L CB 0.623 42.758 42.059 0.128 0.000 1.191 337 L HN 0.556 nan 8.230 nan 0.000 0.431 338 N N 3.566 122.213 118.700 -0.087 0.000 2.508 338 N HA 0.097 4.829 4.740 -0.014 0.000 0.253 338 N C -0.234 175.297 175.510 0.035 0.000 1.145 338 N CA 0.481 53.535 53.050 0.006 0.000 0.973 338 N CB -0.085 38.338 38.487 -0.107 0.000 1.305 338 N HN 0.659 nan 8.380 nan 0.000 0.506 339 D N -0.483 120.031 120.400 0.190 0.000 4.658 339 D HA -0.237 4.395 4.640 -0.014 0.000 0.304 339 D C 0.447 176.831 176.300 0.141 0.000 2.363 339 D CA 1.759 55.841 54.000 0.136 0.000 1.179 339 D CB -0.412 40.187 40.800 -0.336 0.000 1.091 339 D HN 0.495 nan 8.370 nan 0.000 1.274 340 T N -2.976 111.595 114.554 0.028 0.000 3.129 340 T HA 0.089 4.431 4.350 -0.014 0.000 0.251 340 T C 1.523 176.279 174.700 0.094 0.000 1.117 340 T CA 1.489 63.590 62.100 0.001 0.000 1.034 340 T CB -0.505 68.333 68.868 -0.050 0.000 0.968 340 T HN 0.531 nan 8.240 nan 0.000 0.526 341 H N 2.702 121.852 119.070 0.133 0.000 2.353 341 H HA -0.016 4.532 4.556 -0.014 0.000 0.298 341 H C -0.873 174.537 175.328 0.137 0.000 1.103 341 H CA 1.104 57.244 56.048 0.154 0.000 1.293 341 H CB -1.007 28.849 29.762 0.156 0.000 1.372 341 H HN 0.437 nan 8.280 nan 0.000 0.501 342 P HA 0.073 nan 4.420 nan 0.000 0.249 342 P C 0.691 178.033 177.300 0.069 0.000 1.583 342 P CA 0.349 63.527 63.100 0.130 0.000 0.988 342 P CB 0.243 32.009 31.700 0.111 0.000 1.530 343 S N -0.264 115.469 115.700 0.055 0.000 2.440 343 S HA -0.135 4.326 4.470 -0.014 0.000 0.238 343 S C 1.751 176.349 174.600 -0.004 0.000 1.010 343 S CA 0.795 58.988 58.200 -0.012 0.000 0.972 343 S CB -1.484 61.684 63.200 -0.055 0.000 0.774 343 S HN 0.160 nan 8.310 nan 0.000 0.501 344 L N 1.062 122.296 121.223 0.019 0.000 2.450 344 L HA -0.010 4.322 4.340 -0.014 0.000 0.224 344 L C 2.950 179.847 176.870 0.045 0.000 1.149 344 L CA 0.636 55.487 54.840 0.019 0.000 0.816 344 L CB -0.810 41.258 42.059 0.015 0.000 0.932 344 L HN 0.473 nan 8.230 nan 0.000 0.449 345 A N 0.632 123.463 122.820 0.019 0.000 1.948 345 A HA -0.216 4.095 4.320 -0.014 0.000 0.220 345 A C 2.175 179.757 177.584 -0.002 0.000 1.177 345 A CA 1.628 53.664 52.037 -0.001 0.000 0.636 345 A CB -0.486 18.507 19.000 -0.011 0.000 0.815 345 A HN 0.377 nan 8.150 nan 0.000 0.449 346 I N 0.233 120.803 120.570 -0.000 0.000 2.110 346 I HA -0.142 4.020 4.170 -0.014 0.000 0.236 346 I C -0.338 175.798 176.117 0.033 0.000 1.068 346 I CA 1.581 62.880 61.300 -0.001 0.000 1.333 346 I CB -0.987 37.014 38.000 0.001 0.000 1.054 346 I HN 0.242 nan 8.210 nan 0.000 0.402 347 P HA -0.170 nan 4.420 nan 0.000 0.221 347 P C 1.284 178.622 177.300 0.063 0.000 1.150 347 P CA 1.484 64.625 63.100 0.067 0.000 0.800 347 P CB 0.032 31.791 31.700 0.098 0.000 0.787 348 E N 0.298 120.595 120.200 0.162 0.000 2.072 348 E HA -0.160 4.182 4.350 -0.014 0.000 0.191 348 E C 1.933 178.526 176.600 -0.011 0.000 0.985 348 E CA 0.712 57.219 56.400 0.178 0.000 0.801 348 E CB -1.223 28.624 29.700 0.245 0.000 0.750 348 E HN -0.005 nan 8.360 nan 0.000 0.452 349 L N -0.005 121.180 121.223 -0.063 0.000 2.046 349 L HA -0.127 4.204 4.340 -0.014 0.000 0.208 349 L C 2.093 178.829 176.870 -0.225 0.000 1.077 349 L CA 1.802 56.546 54.840 -0.160 0.000 0.747 349 L CB -0.580 41.386 42.059 -0.155 0.000 0.896 349 L HN 0.246 nan 8.230 nan 0.000 0.432 350 M N -0.808 118.675 119.600 -0.194 0.000 2.086 350 M HA -0.220 4.251 4.480 -0.014 0.000 0.261 350 M C 2.435 178.577 176.300 -0.264 0.000 1.067 350 M CA 1.601 56.734 55.300 -0.279 0.000 1.116 350 M CB -1.230 31.189 32.600 -0.300 0.000 1.348 350 M HN 0.338 nan 8.290 nan 0.000 0.407 351 R N 0.107 120.479 120.500 -0.213 0.000 2.080 351 R HA -0.148 4.184 4.340 -0.014 0.000 0.236 351 R C 2.080 178.278 176.300 -0.169 0.000 1.137 351 R CA 1.885 57.859 56.100 -0.209 0.000 0.943 351 R CB -0.267 29.858 30.300 -0.292 0.000 0.846 351 R HN 0.217 nan 8.270 nan 0.000 0.431 352 V N 1.512 121.327 119.914 -0.165 0.000 2.295 352 V HA -0.271 3.841 4.120 -0.014 0.000 0.246 352 V C 2.449 178.384 176.094 -0.266 0.000 1.049 352 V CA 1.843 64.038 62.300 -0.176 0.000 1.024 352 V CB -0.459 31.261 31.823 -0.173 0.000 0.648 352 V HN 0.356 nan 8.190 nan 0.000 0.447 353 L N -0.617 120.385 121.223 -0.369 0.000 2.093 353 L HA -0.127 4.205 4.340 -0.014 0.000 0.208 353 L C 2.381 179.063 176.870 -0.314 0.000 1.085 353 L CA 1.107 55.658 54.840 -0.482 0.000 0.755 353 L CB -0.553 41.174 42.059 -0.554 0.000 0.904 353 L HN 0.219 nan 8.230 nan 0.000 0.435 354 V N -0.682 119.094 119.914 -0.231 0.000 2.331 354 V HA -0.165 3.947 4.120 -0.014 0.000 0.242 354 V C 1.905 177.955 176.094 -0.074 0.000 1.034 354 V CA 1.602 63.828 62.300 -0.124 0.000 1.027 354 V CB -0.297 31.482 31.823 -0.074 0.000 0.667 354 V HN 0.335 nan 8.190 nan 0.000 0.457 355 D N -0.110 120.241 120.400 -0.081 0.000 2.162 355 D HA 0.020 4.652 4.640 -0.014 0.000 0.203 355 D C 2.004 178.276 176.300 -0.047 0.000 0.967 355 D CA 1.090 55.061 54.000 -0.049 0.000 0.840 355 D CB 0.140 40.910 40.800 -0.051 0.000 0.972 355 D HN 0.326 nan 8.370 nan 0.000 0.482 356 L N 0.124 121.304 121.223 -0.072 0.000 2.362 356 L HA 0.133 4.464 4.340 -0.014 0.000 0.204 356 L C 1.822 178.662 176.870 -0.051 0.000 1.060 356 L CA 0.463 55.272 54.840 -0.052 0.000 0.827 356 L CB 0.101 42.130 42.059 -0.050 0.000 1.027 356 L HN -0.195 nan 8.230 nan 0.000 0.474 357 E N 0.394 120.529 120.200 -0.108 0.000 2.447 357 E HA 0.039 4.381 4.350 -0.014 0.000 0.195 357 E C 0.104 176.668 176.600 -0.060 0.000 1.028 357 E CA -0.030 56.314 56.400 -0.093 0.000 0.876 357 E CB 0.392 29.924 29.700 -0.280 0.000 0.885 357 E HN 0.199 nan 8.360 nan 0.000 0.500 358 R N -0.367 120.093 120.500 -0.066 0.000 3.776 358 R HA -0.180 4.152 4.340 -0.014 0.000 0.312 358 R C -0.293 175.993 176.300 -0.023 0.000 1.181 358 R CA 0.235 56.319 56.100 -0.026 0.000 0.836 358 R CB -2.860 27.442 30.300 0.004 0.000 1.324 358 R HN 0.083 nan 8.270 nan 0.000 0.501 359 L N 2.457 123.637 121.223 -0.071 0.000 2.436 359 L HA 0.133 4.465 4.340 -0.014 0.000 0.265 359 L C 1.494 178.357 176.870 -0.011 0.000 1.168 359 L CA 0.273 55.081 54.840 -0.053 0.000 0.815 359 L CB 0.364 42.343 42.059 -0.133 0.000 1.109 359 L HN 0.139 nan 8.230 nan 0.000 0.462 360 D N 1.028 121.446 120.400 0.030 0.000 2.382 360 D HA -0.144 4.488 4.640 -0.014 0.000 0.240 360 D C 0.939 177.308 176.300 0.115 0.000 1.146 360 D CA -0.505 53.547 54.000 0.087 0.000 0.897 360 D CB 0.713 41.569 40.800 0.094 0.000 1.197 360 D HN 0.613 nan 8.370 nan 0.000 0.432 361 W N 2.074 123.377 121.300 0.005 0.000 2.315 361 W HA -0.235 4.417 4.660 -0.014 0.000 0.323 361 W C 1.126 177.689 176.519 0.073 0.000 1.233 361 W CA 1.930 59.285 57.345 0.016 0.000 1.267 361 W CB -0.317 29.133 29.460 -0.017 0.000 1.160 361 W HN 0.468 nan 8.180 nan 0.000 0.474 362 D N 0.304 120.908 120.400 0.339 0.000 2.149 362 D HA -0.208 4.424 4.640 -0.014 0.000 0.198 362 D C 1.864 178.268 176.300 0.172 0.000 0.990 362 D CA 1.961 56.131 54.000 0.284 0.000 0.839 362 D CB -0.356 40.581 40.800 0.229 0.000 0.948 362 D HN 0.122 nan 8.370 nan 0.000 0.460 363 K N 1.234 121.692 120.400 0.097 0.000 2.031 363 K HA 0.038 4.350 4.320 -0.014 0.000 0.205 363 K C 1.877 178.467 176.600 -0.017 0.000 1.049 363 K CA 1.384 57.700 56.287 0.048 0.000 0.939 363 K CB -0.528 31.997 32.500 0.040 0.000 0.717 363 K HN -0.025 nan 8.250 nan 0.000 0.438 364 A N 0.832 123.598 122.820 -0.089 0.000 1.908 364 A HA -0.203 4.109 4.320 -0.014 0.000 0.218 364 A C 2.262 179.749 177.584 -0.162 0.000 1.181 364 A CA 1.599 53.515 52.037 -0.202 0.000 0.627 364 A CB -1.279 17.535 19.000 -0.311 0.000 0.818 364 A HN 0.705 nan 8.150 nan 0.000 0.445 365 W N 0.590 121.678 121.300 -0.353 0.000 2.358 365 W HA -0.178 4.474 4.660 -0.014 0.000 0.303 365 W C 2.022 178.482 176.519 -0.099 0.000 1.208 365 W CA 1.855 59.044 57.345 -0.262 0.000 1.274 365 W CB -0.161 29.177 29.460 -0.204 0.000 1.138 365 W HN 0.623 nan 8.180 nan 0.000 0.515 366 E N 0.115 120.303 120.200 -0.019 0.000 2.058 366 E HA -0.239 4.103 4.350 -0.014 0.000 0.194 366 E C 2.040 178.563 176.600 -0.129 0.000 0.997 366 E CA 2.072 58.427 56.400 -0.074 0.000 0.801 366 E CB -0.340 29.376 29.700 0.026 0.000 0.746 366 E HN 0.059 nan 8.360 nan 0.000 0.450 367 V N 0.689 120.543 119.914 -0.100 0.000 2.295 367 V HA -0.266 3.845 4.120 -0.014 0.000 0.246 367 V C 2.407 178.436 176.094 -0.109 0.000 1.049 367 V CA 2.206 64.465 62.300 -0.069 0.000 1.024 367 V CB -0.791 30.987 31.823 -0.075 0.000 0.648 367 V HN 0.394 nan 8.190 nan 0.000 0.447 368 T N 0.037 114.454 114.554 -0.228 0.000 2.652 368 T HA -0.189 4.152 4.350 -0.014 0.000 0.267 368 T C 1.954 176.472 174.700 -0.303 0.000 1.039 368 T CA 1.821 63.759 62.100 -0.269 0.000 1.153 368 T CB -0.325 68.326 68.868 -0.360 0.000 0.863 368 T HN 0.267 nan 8.240 nan 0.000 0.428 369 V N 1.411 121.023 119.914 -0.502 0.000 2.287 369 V HA -0.197 3.915 4.120 -0.014 0.000 0.248 369 V C 2.368 178.409 176.094 -0.088 0.000 1.053 369 V CA 1.708 63.772 62.300 -0.393 0.000 1.027 369 V CB -0.498 31.019 31.823 -0.509 0.000 0.646 369 V HN 0.465 nan 8.190 nan 0.000 0.447 370 K N -0.599 119.733 120.400 -0.113 0.000 2.362 370 K HA -0.082 4.229 4.320 -0.014 0.000 0.200 370 K C 2.064 178.619 176.600 -0.075 0.000 1.046 370 K CA 1.476 57.676 56.287 -0.144 0.000 0.952 370 K CB -0.177 32.244 32.500 -0.131 0.000 0.753 370 K HN 0.486 nan 8.250 nan 0.000 0.466 371 T N 0.069 114.644 114.554 0.035 0.000 2.976 371 T HA 0.025 4.367 4.350 -0.014 0.000 0.257 371 T C 0.865 175.669 174.700 0.174 0.000 1.051 371 T CA 0.388 62.547 62.100 0.099 0.000 1.141 371 T CB 0.124 69.086 68.868 0.157 0.000 0.881 371 T HN 0.158 nan 8.240 nan 0.000 0.461 372 C N 2.370 121.760 119.300 0.150 0.000 2.365 372 C HA 0.889 5.340 4.460 -0.014 0.000 0.351 372 C C 0.568 175.626 174.990 0.113 0.000 1.240 372 C CA -1.231 57.857 59.018 0.117 0.000 2.062 372 C CB 0.124 27.871 27.740 0.012 0.000 2.387 372 C HN 0.593 nan 8.230 nan 0.000 0.537 373 A N 2.149 125.027 122.820 0.097 0.000 2.475 373 A HA 0.778 5.089 4.320 -0.014 0.000 0.301 373 A C -1.576 176.083 177.584 0.125 0.000 1.059 373 A CA -0.433 51.608 52.037 0.006 0.000 0.710 373 A CB 1.082 20.076 19.000 -0.010 0.000 1.288 373 A HN 0.948 nan 8.150 nan 0.000 0.408 374 Y N 1.026 121.280 120.300 -0.078 0.000 2.376 374 Y HA 0.623 5.165 4.550 -0.014 0.000 0.340 374 Y C -0.556 175.331 175.900 -0.021 0.000 0.965 374 Y CA -0.333 57.733 58.100 -0.056 0.000 1.078 374 Y CB 2.045 40.427 38.460 -0.130 0.000 1.193 374 Y HN 0.563 nan 8.280 nan 0.000 0.452 375 T N 6.595 120.957 114.554 -0.319 0.000 2.758 375 T HA 0.170 4.512 4.350 -0.014 0.000 0.285 375 T C -0.670 173.626 174.700 -0.674 0.000 0.981 375 T CA -0.751 61.109 62.100 -0.400 0.000 0.965 375 T CB 0.320 69.181 68.868 -0.010 0.000 0.927 375 T HN 0.641 nan 8.240 nan 0.000 0.448 376 N N 1.857 120.133 118.700 -0.707 0.000 2.499 376 N HA 0.109 4.841 4.740 -0.014 0.000 0.281 376 N C 0.195 175.622 175.510 -0.138 0.000 1.098 376 N CA -0.247 52.625 53.050 -0.296 0.000 0.979 376 N CB 0.741 39.209 38.487 -0.031 0.000 1.121 376 N HN 0.655 nan 8.380 nan 0.000 0.466 377 H N 0.964 120.063 119.070 0.050 0.000 2.827 377 H HA 0.153 4.701 4.556 -0.014 0.000 0.269 377 H C -0.149 175.100 175.328 -0.131 0.000 1.031 377 H CA 0.169 56.197 56.048 -0.034 0.000 1.202 377 H CB 1.190 30.939 29.762 -0.021 0.000 1.511 377 H HN 0.528 nan 8.280 nan 0.000 0.517 378 T N 0.054 114.642 114.554 0.057 0.000 2.893 378 T HA 0.190 4.531 4.350 -0.014 0.000 0.337 378 T C 0.497 175.233 174.700 0.060 0.000 1.587 378 T CA -0.322 61.762 62.100 -0.026 0.000 1.066 378 T CB 1.206 70.038 68.868 -0.060 0.000 1.414 378 T HN -0.049 nan 8.240 nan 0.000 0.488 379 V N 1.986 121.902 119.914 0.003 0.000 3.660 379 V HA 0.547 4.658 4.120 -0.014 0.000 0.276 379 V C 0.732 176.793 176.094 -0.056 0.000 1.317 379 V CA 0.132 62.412 62.300 -0.034 0.000 1.097 379 V CB -0.583 31.214 31.823 -0.043 0.000 0.863 379 V HN 0.691 nan 8.190 nan 0.000 0.438 380 L N 2.843 124.022 121.223 -0.073 0.000 2.513 380 L HA 0.210 4.542 4.340 -0.014 0.000 0.272 380 L C -0.596 176.276 176.870 0.002 0.000 1.187 380 L CA -1.027 53.787 54.840 -0.045 0.000 0.895 380 L CB 0.545 42.544 42.059 -0.101 0.000 1.147 380 L HN 0.127 nan 8.230 nan 0.000 0.483 381 P HA -0.200 nan 4.420 nan 0.000 0.216 381 P C 0.887 178.210 177.300 0.038 0.000 1.150 381 P CA 1.245 64.356 63.100 0.018 0.000 0.837 381 P CB 0.070 31.784 31.700 0.023 0.000 0.786 382 E N 0.188 120.444 120.200 0.094 0.000 2.418 382 E HA -0.028 4.314 4.350 -0.014 0.000 0.197 382 E C 1.655 178.314 176.600 0.098 0.000 1.026 382 E CA 0.956 57.439 56.400 0.139 0.000 0.862 382 E CB -0.874 29.008 29.700 0.304 0.000 0.799 382 E HN 0.227 nan 8.360 nan 0.000 0.518 383 A N 1.245 124.121 122.820 0.093 0.000 2.195 383 A HA 0.208 4.519 4.320 -0.014 0.000 0.210 383 A C 1.303 178.895 177.584 0.014 0.000 1.165 383 A CA -0.263 51.829 52.037 0.091 0.000 0.806 383 A CB -0.088 18.978 19.000 0.109 0.000 0.847 383 A HN 0.132 nan 8.150 nan 0.000 0.482 384 L N 1.570 122.760 121.223 -0.055 0.000 2.360 384 L HA 0.148 4.480 4.340 -0.014 0.000 0.276 384 L C -0.142 176.430 176.870 -0.497 0.000 1.121 384 L CA -0.141 54.602 54.840 -0.162 0.000 0.845 384 L CB 0.539 42.535 42.059 -0.105 0.000 1.143 384 L HN 0.325 nan 8.230 nan 0.000 0.452 385 E N 4.437 124.242 120.200 -0.659 0.000 2.129 385 E HA 0.206 4.548 4.350 -0.014 0.000 0.283 385 E C -0.546 175.429 176.600 -1.042 0.000 1.080 385 E CA -0.146 55.418 56.400 -1.394 0.000 0.867 385 E CB 0.686 29.904 29.700 -0.802 0.000 1.056 385 E HN 0.401 nan 8.360 nan 0.000 0.404 386 R N 3.654 123.401 120.500 -1.256 0.000 2.415 386 R HA 0.197 4.529 4.340 -0.014 0.000 0.292 386 R C -1.247 174.872 176.300 -0.302 0.000 1.295 386 R CA -0.524 55.270 56.100 -0.509 0.000 1.137 386 R CB 0.793 30.932 30.300 -0.268 0.000 1.135 386 R HN 0.440 nan 8.270 nan 0.000 0.560 387 W N 4.462 125.701 121.300 -0.101 0.000 2.311 387 W HA 0.275 4.926 4.660 -0.014 0.000 0.310 387 W C -1.874 174.623 176.519 -0.037 0.000 1.274 387 W CA -2.183 55.169 57.345 0.012 0.000 1.215 387 W CB 0.768 30.210 29.460 -0.030 0.000 1.227 387 W HN 0.252 nan 8.180 nan 0.000 0.523 388 P HA -0.107 nan 4.420 nan 0.000 0.262 388 P C 0.833 178.096 177.300 -0.062 0.000 1.182 388 P CA 0.285 63.385 63.100 0.001 0.000 0.761 388 P CB 0.690 32.243 31.700 -0.245 0.000 0.795 389 V N 3.429 123.352 119.914 0.016 0.000 2.324 389 V HA -0.297 3.814 4.120 -0.014 0.000 0.250 389 V C 2.173 178.278 176.094 0.018 0.000 1.060 389 V CA 2.624 64.945 62.300 0.035 0.000 1.042 389 V CB -1.685 30.216 31.823 0.130 0.000 0.650 389 V HN 0.770 nan 8.190 nan 0.000 0.450 390 H N -0.996 118.131 119.070 0.095 0.000 2.421 390 H HA -0.100 4.447 4.556 -0.014 0.000 0.298 390 H C 2.017 177.392 175.328 0.079 0.000 1.087 390 H CA 1.722 57.821 56.048 0.085 0.000 1.330 390 H CB -0.612 29.202 29.762 0.086 0.000 1.388 390 H HN 0.359 nan 8.280 nan 0.000 0.526 391 L N -0.040 120.996 121.223 -0.313 0.000 2.027 391 L HA -0.110 4.222 4.340 -0.014 0.000 0.206 391 L C 2.424 179.237 176.870 -0.094 0.000 1.074 391 L CA 1.159 55.924 54.840 -0.124 0.000 0.745 391 L CB -0.286 41.691 42.059 -0.136 0.000 0.898 391 L HN 0.318 nan 8.230 nan 0.000 0.433 392 L N -0.648 120.496 121.223 -0.131 0.000 2.141 392 L HA -0.219 4.113 4.340 -0.014 0.000 0.209 392 L C 2.475 179.280 176.870 -0.108 0.000 1.094 392 L CA 1.004 55.743 54.840 -0.168 0.000 0.763 392 L CB -0.402 41.545 42.059 -0.186 0.000 0.908 392 L HN 0.307 nan 8.230 nan 0.000 0.437 393 E N -0.324 119.856 120.200 -0.033 0.000 2.058 393 E HA -0.217 4.125 4.350 -0.014 0.000 0.194 393 E C 1.940 178.575 176.600 0.058 0.000 0.997 393 E CA 1.974 58.388 56.400 0.023 0.000 0.801 393 E CB 0.133 29.886 29.700 0.089 0.000 0.746 393 E HN 0.413 nan 8.360 nan 0.000 0.450 394 T N 0.656 115.267 114.554 0.095 0.000 2.809 394 T HA -0.080 4.261 4.350 -0.014 0.000 0.260 394 T C 1.732 176.536 174.700 0.173 0.000 1.039 394 T CA 0.796 63.003 62.100 0.178 0.000 1.141 394 T CB -0.146 68.861 68.868 0.232 0.000 0.869 394 T HN 0.072 nan 8.240 nan 0.000 0.437 395 L N -0.018 121.207 121.223 0.003 0.000 2.095 395 L HA 0.344 4.676 4.340 -0.014 0.000 0.204 395 L C 0.409 177.213 176.870 -0.110 0.000 1.080 395 L CA 1.584 56.307 54.840 -0.195 0.000 0.759 395 L CB 0.032 41.938 42.059 -0.254 0.000 0.914 395 L HN 0.172 nan 8.230 nan 0.000 0.439 396 L N 0.697 121.821 121.223 -0.165 0.000 2.551 396 L HA 0.290 4.621 4.340 -0.014 0.000 0.248 396 L C -1.707 174.984 176.870 -0.298 0.000 1.509 396 L CA -0.963 53.698 54.840 -0.299 0.000 0.842 396 L CB 0.929 42.670 42.059 -0.529 0.000 1.087 396 L HN -0.053 nan 8.230 nan 0.000 0.512 397 P HA -0.192 nan 4.420 nan 0.000 0.216 397 P C 1.448 178.553 177.300 -0.325 0.000 1.150 397 P CA 1.125 64.101 63.100 -0.207 0.000 0.837 397 P CB 0.392 32.042 31.700 -0.084 0.000 0.786 398 R N -0.204 119.920 120.500 -0.627 0.000 2.090 398 R HA -0.120 4.211 4.340 -0.014 0.000 0.228 398 R C 2.305 178.290 176.300 -0.524 0.000 1.110 398 R CA 1.598 57.332 56.100 -0.609 0.000 0.973 398 R CB -1.651 28.118 30.300 -0.884 0.000 0.869 398 R HN 0.248 nan 8.270 nan 0.000 0.440 399 H N -0.325 118.434 119.070 -0.517 0.000 2.387 399 H HA -0.052 4.495 4.556 -0.014 0.000 0.299 399 H C 1.812 176.964 175.328 -0.293 0.000 1.090 399 H CA 1.648 57.474 56.048 -0.369 0.000 1.332 399 H CB -0.115 29.391 29.762 -0.426 0.000 1.386 399 H HN 0.077 nan 8.280 nan 0.000 0.516 400 L N 0.551 121.645 121.223 -0.215 0.000 2.046 400 L HA -0.255 4.077 4.340 -0.014 0.000 0.208 400 L C 1.892 178.555 176.870 -0.346 0.000 1.077 400 L CA 1.646 56.289 54.840 -0.327 0.000 0.747 400 L CB -0.299 41.588 42.059 -0.288 0.000 0.896 400 L HN 0.458 nan 8.230 nan 0.000 0.432 401 Q N -0.350 119.360 119.800 -0.150 0.000 2.084 401 Q HA -0.230 4.101 4.340 -0.014 0.000 0.202 401 Q C 2.170 178.182 176.000 0.021 0.000 0.978 401 Q CA 1.597 57.405 55.803 0.009 0.000 0.844 401 Q CB -0.096 28.654 28.738 0.020 0.000 0.898 401 Q HN 0.545 nan 8.270 nan 0.000 0.426 402 I N 0.440 121.001 120.570 -0.014 0.000 2.286 402 I HA -0.276 3.885 4.170 -0.014 0.000 0.248 402 I C 2.136 178.324 176.117 0.118 0.000 1.115 402 I CA 1.052 62.425 61.300 0.122 0.000 1.392 402 I CB -0.124 37.904 38.000 0.045 0.000 1.065 402 I HN 0.191 nan 8.210 nan 0.000 0.418 403 I N -0.553 120.004 120.570 -0.022 0.000 2.226 403 I HA -0.320 3.841 4.170 -0.014 0.000 0.245 403 I C 2.371 178.497 176.117 0.014 0.000 1.100 403 I CA 1.410 62.684 61.300 -0.042 0.000 1.374 403 I CB -0.391 37.517 38.000 -0.154 0.000 1.057 403 I HN 0.154 nan 8.210 nan 0.000 0.413 404 Y N 0.828 121.132 120.300 0.006 0.000 2.165 404 Y HA -0.283 4.258 4.550 -0.014 0.000 0.286 404 Y C 2.600 178.466 175.900 -0.055 0.000 1.155 404 Y CA 1.588 59.679 58.100 -0.016 0.000 1.164 404 Y CB -0.774 37.669 38.460 -0.028 0.000 0.978 404 Y HN 0.209 nan 8.280 nan 0.000 0.513 405 E N 0.299 120.540 120.200 0.067 0.000 2.072 405 E HA -0.123 4.218 4.350 -0.014 0.000 0.191 405 E C 2.068 178.587 176.600 -0.135 0.000 0.985 405 E CA 1.126 57.428 56.400 -0.164 0.000 0.801 405 E CB -0.502 28.934 29.700 -0.440 0.000 0.750 405 E HN 0.464 nan 8.360 nan 0.000 0.452 406 I N 0.748 121.341 120.570 0.038 0.000 2.163 406 I HA -0.299 3.863 4.170 -0.014 0.000 0.243 406 I C 2.282 178.404 176.117 0.008 0.000 1.085 406 I CA 1.418 62.694 61.300 -0.040 0.000 1.347 406 I CB -0.428 37.550 38.000 -0.038 0.000 1.044 406 I HN 0.211 nan 8.210 nan 0.000 0.408 407 N N 0.743 119.492 118.700 0.082 0.000 2.084 407 N HA -0.269 4.462 4.740 -0.014 0.000 0.190 407 N C 1.860 177.455 175.510 0.141 0.000 1.030 407 N CA 1.605 54.751 53.050 0.159 0.000 0.849 407 N CB -0.167 38.432 38.487 0.186 0.000 1.012 407 N HN 0.321 nan 8.380 nan 0.000 0.423 408 Q N 0.019 119.850 119.800 0.052 0.000 2.030 408 Q HA -0.134 4.198 4.340 -0.014 0.000 0.204 408 Q C 2.068 178.056 176.000 -0.019 0.000 0.986 408 Q CA 1.577 57.376 55.803 -0.008 0.000 0.843 408 Q CB -0.018 28.675 28.738 -0.076 0.000 0.904 408 Q HN 0.358 nan 8.270 nan 0.000 0.420 409 R N -0.756 119.711 120.500 -0.055 0.000 2.092 409 R HA -0.123 4.209 4.340 -0.014 0.000 0.231 409 R C 2.166 178.495 176.300 0.049 0.000 1.119 409 R CA 1.330 57.396 56.100 -0.056 0.000 0.970 409 R CB -0.367 29.847 30.300 -0.143 0.000 0.864 409 R HN 0.287 nan 8.270 nan 0.000 0.440 410 F N 1.387 121.316 119.950 -0.036 0.000 2.102 410 F HA -0.110 4.408 4.527 -0.014 0.000 0.298 410 F C 1.821 177.648 175.800 0.044 0.000 1.105 410 F CA 1.375 59.402 58.000 0.044 0.000 1.239 410 F CB -0.162 38.894 39.000 0.094 0.000 0.991 410 F HN -0.108 nan 8.300 nan 0.000 0.474 411 L N -0.039 121.210 121.223 0.044 0.000 2.201 411 L HA -0.217 4.115 4.340 -0.014 0.000 0.212 411 L C 1.954 178.770 176.870 -0.089 0.000 1.105 411 L CA 1.422 56.227 54.840 -0.058 0.000 0.775 411 L CB -0.852 41.231 42.059 0.040 0.000 0.913 411 L HN 0.256 nan 8.230 nan 0.000 0.440 412 N N -0.204 118.458 118.700 -0.062 0.000 2.188 412 N HA -0.154 4.578 4.740 -0.014 0.000 0.184 412 N C 1.899 177.361 175.510 -0.079 0.000 1.018 412 N CA 0.714 53.727 53.050 -0.062 0.000 0.858 412 N CB 0.023 38.479 38.487 -0.051 0.000 0.989 412 N HN 0.291 nan 8.380 nan 0.000 0.426 413 R N 0.543 120.976 120.500 -0.112 0.000 2.075 413 R HA -0.036 4.295 4.340 -0.014 0.000 0.232 413 R C 2.180 178.387 176.300 -0.155 0.000 1.126 413 R CA 0.819 56.844 56.100 -0.124 0.000 0.963 413 R CB -0.302 29.924 30.300 -0.124 0.000 0.858 413 R HN 0.081 nan 8.270 nan 0.000 0.435 414 V N 1.006 120.778 119.914 -0.237 0.000 2.295 414 V HA -0.240 3.872 4.120 -0.014 0.000 0.246 414 V C 2.433 178.531 176.094 0.008 0.000 1.049 414 V CA 2.004 64.228 62.300 -0.126 0.000 1.024 414 V CB -0.715 30.963 31.823 -0.241 0.000 0.648 414 V HN 0.401 nan 8.190 nan 0.000 0.447 415 A N -0.128 122.669 122.820 -0.038 0.000 1.972 415 A HA -0.078 4.234 4.320 -0.014 0.000 0.219 415 A C 2.337 179.907 177.584 -0.024 0.000 1.169 415 A CA 2.009 54.038 52.037 -0.013 0.000 0.635 415 A CB -0.602 18.381 19.000 -0.028 0.000 0.810 415 A HN 0.581 nan 8.150 nan 0.000 0.446 416 A N -0.708 122.080 122.820 -0.054 0.000 2.016 416 A HA 0.376 4.687 4.320 -0.014 0.000 0.217 416 A C 2.332 179.840 177.584 -0.127 0.000 1.162 416 A CA 1.504 53.497 52.037 -0.073 0.000 0.662 416 A CB -0.579 18.381 19.000 -0.067 0.000 0.812 416 A HN 0.884 nan 8.150 nan 0.000 0.450 417 A N -1.327 121.388 122.820 -0.175 0.000 1.935 417 A HA 0.372 4.684 4.320 -0.014 0.000 0.214 417 A C 0.476 177.663 177.584 -0.662 0.000 1.178 417 A CA 0.545 52.324 52.037 -0.429 0.000 0.640 417 A CB -0.164 18.538 19.000 -0.496 0.000 0.825 417 A HN 0.413 nan 8.150 nan 0.000 0.447 418 F N 0.246 120.150 119.950 -0.076 0.000 2.531 418 F HA 0.350 4.869 4.527 -0.014 0.000 0.333 418 F C -2.767 172.998 175.800 -0.058 0.000 1.292 418 F CA -2.705 55.255 58.000 -0.066 0.000 1.184 418 F CB 0.855 39.808 39.000 -0.078 0.000 1.426 418 F HN -0.047 nan 8.300 nan 0.000 0.559 419 P HA 0.217 nan 4.420 nan 0.000 0.267 419 P C 0.985 178.305 177.300 0.034 0.000 1.205 419 P CA 0.805 63.919 63.100 0.022 0.000 0.765 419 P CB 1.003 32.697 31.700 -0.011 0.000 0.828 420 G N 2.473 111.287 108.800 0.023 0.000 2.205 420 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.261 420 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.261 420 G C 0.305 175.216 174.900 0.018 0.000 0.980 420 G CA 0.007 45.117 45.100 0.016 0.000 0.632 420 G HN 0.604 nan 8.290 nan 0.000 0.533 421 D N 1.415 121.834 120.400 0.032 0.000 2.551 421 D HA 0.382 5.014 4.640 -0.014 0.000 0.223 421 D C 2.080 178.372 176.300 -0.013 0.000 1.144 421 D CA 0.397 54.402 54.000 0.009 0.000 1.025 421 D CB 0.397 41.203 40.800 0.010 0.000 1.085 421 D HN 0.590 nan 8.370 nan 0.000 0.506 422 V N 0.699 120.607 119.914 -0.011 0.000 2.515 422 V HA -0.124 3.987 4.120 -0.014 0.000 0.250 422 V C 1.784 177.867 176.094 -0.017 0.000 1.058 422 V CA 1.450 63.743 62.300 -0.011 0.000 1.064 422 V CB -0.446 31.373 31.823 -0.006 0.000 0.675 422 V HN 0.215 nan 8.190 nan 0.000 0.461 423 D N 0.371 120.757 120.400 -0.023 0.000 2.178 423 D HA -0.156 4.475 4.640 -0.014 0.000 0.202 423 D C 2.336 178.611 176.300 -0.043 0.000 0.974 423 D CA 1.234 55.220 54.000 -0.023 0.000 0.841 423 D CB -0.195 40.593 40.800 -0.021 0.000 0.953 423 D HN 0.417 nan 8.370 nan 0.000 0.478 424 R N -0.125 120.325 120.500 -0.082 0.000 2.091 424 R HA -0.105 4.226 4.340 -0.014 0.000 0.238 424 R C 2.273 178.505 176.300 -0.113 0.000 1.136 424 R CA 0.948 56.961 56.100 -0.145 0.000 0.959 424 R CB -0.273 29.880 30.300 -0.245 0.000 0.856 424 R HN 0.261 nan 8.270 nan 0.000 0.437 425 L N 0.437 121.619 121.223 -0.069 0.000 2.012 425 L HA -0.227 4.104 4.340 -0.014 0.000 0.210 425 L C 2.750 179.626 176.870 0.010 0.000 1.073 425 L CA 1.931 56.751 54.840 -0.034 0.000 0.748 425 L CB -0.512 41.537 42.059 -0.016 0.000 0.891 425 L HN 0.279 nan 8.230 nan 0.000 0.431 426 R N 0.298 120.809 120.500 0.017 0.000 2.115 426 R HA -0.099 4.233 4.340 -0.014 0.000 0.226 426 R C 2.209 178.560 176.300 0.084 0.000 1.100 426 R CA 1.131 57.263 56.100 0.052 0.000 0.980 426 R CB -0.383 29.941 30.300 0.040 0.000 0.875 426 R HN 0.180 nan 8.270 nan 0.000 0.445 427 R N -0.081 120.451 120.500 0.053 0.000 2.115 427 R HA 0.062 4.394 4.340 -0.014 0.000 0.230 427 R C 1.988 178.375 176.300 0.145 0.000 1.111 427 R CA 1.841 57.997 56.100 0.093 0.000 0.976 427 R CB -0.168 30.146 30.300 0.024 0.000 0.870 427 R HN 0.351 nan 8.270 nan 0.000 0.445 428 M N -0.032 119.580 119.600 0.019 0.000 2.509 428 M HA 0.056 4.528 4.480 -0.014 0.000 0.250 428 M C 0.803 177.262 176.300 0.264 0.000 1.132 428 M CA -0.041 55.220 55.300 -0.065 0.000 1.080 428 M CB 0.550 32.950 32.600 -0.332 0.000 1.408 428 M HN -0.093 nan 8.290 nan 0.000 0.484 429 S N 1.142 117.006 115.700 0.273 0.000 2.558 429 S HA 0.069 4.530 4.470 -0.014 0.000 0.288 429 S C 1.165 176.010 174.600 0.409 0.000 1.318 429 S CA -0.240 58.142 58.200 0.302 0.000 1.056 429 S CB 0.565 63.888 63.200 0.205 0.000 0.853 429 S HN 0.367 nan 8.310 nan 0.000 0.505 430 L N 4.132 125.548 121.223 0.320 0.000 2.291 430 L HA 0.089 4.420 4.340 -0.014 0.000 0.214 430 L C 0.344 177.317 176.870 0.172 0.000 1.120 430 L CA 0.359 55.348 54.840 0.247 0.000 0.799 430 L CB -0.436 41.711 42.059 0.147 0.000 0.925 430 L HN 0.406 nan 8.230 nan 0.000 0.446 431 V N 0.933 120.961 119.914 0.190 0.000 2.383 431 V HA 0.151 4.262 4.120 -0.014 0.000 0.275 431 V C 0.089 176.269 176.094 0.143 0.000 1.036 431 V CA -0.560 61.842 62.300 0.170 0.000 0.889 431 V CB 1.253 33.213 31.823 0.228 0.000 0.985 431 V HN 0.182 nan 8.190 nan 0.000 0.459 432 E N 3.446 123.710 120.200 0.107 0.000 2.146 432 E HA 0.373 4.715 4.350 -0.014 0.000 0.282 432 E C -0.632 176.019 176.600 0.086 0.000 0.989 432 E CA -0.500 55.954 56.400 0.089 0.000 0.799 432 E CB 1.715 31.447 29.700 0.054 0.000 1.088 432 E HN 0.621 nan 8.360 nan 0.000 0.397 433 E N 1.054 121.301 120.200 0.079 0.000 2.349 433 E HA 0.580 4.922 4.350 -0.014 0.000 0.262 433 E C 0.158 176.794 176.600 0.060 0.000 1.088 433 E CA 0.308 56.749 56.400 0.069 0.000 0.899 433 E CB 1.442 31.176 29.700 0.057 0.000 1.044 433 E HN 0.638 nan 8.360 nan 0.000 0.420 434 G N -0.087 108.747 108.800 0.057 0.000 2.367 434 G HA2 0.301 4.252 3.960 -0.014 0.000 0.272 434 G HA3 0.301 4.252 3.960 -0.014 0.000 0.272 434 G C 0.257 175.189 174.900 0.053 0.000 1.271 434 G CA 0.003 45.133 45.100 0.051 0.000 0.893 434 G HN 0.539 nan 8.290 nan 0.000 0.485 435 A N -0.953 121.898 122.820 0.051 0.000 1.865 435 A HA 0.342 4.654 4.320 -0.014 0.000 0.217 435 A C 1.536 179.160 177.584 0.067 0.000 1.191 435 A CA 3.271 55.338 52.037 0.051 0.000 0.623 435 A CB -1.131 17.896 19.000 0.046 0.000 0.826 435 A HN 2.181 nan 8.150 nan 0.000 0.444 436 V N -2.794 117.171 119.914 0.085 0.000 2.495 436 V HA 0.500 4.612 4.120 -0.014 0.000 0.298 436 V C -0.533 175.630 176.094 0.116 0.000 1.031 436 V CA -1.448 60.925 62.300 0.122 0.000 0.871 436 V CB 1.407 33.330 31.823 0.167 0.000 0.988 436 V HN 0.284 nan 8.190 nan 0.000 0.432 437 K N 4.098 124.574 120.400 0.128 0.000 2.401 437 K HA 0.458 4.770 4.320 -0.014 0.000 0.278 437 K C -0.337 176.333 176.600 0.116 0.000 1.018 437 K CA -0.086 56.273 56.287 0.121 0.000 0.981 437 K CB 0.845 33.428 32.500 0.139 0.000 0.933 437 K HN 0.729 nan 8.250 nan 0.000 0.477 438 R N 1.620 122.177 120.500 0.094 0.000 2.837 438 R HA 0.474 4.806 4.340 -0.014 0.000 0.271 438 R C -0.557 175.780 176.300 0.062 0.000 0.993 438 R CA -1.022 55.123 56.100 0.074 0.000 0.931 438 R CB 1.343 31.669 30.300 0.044 0.000 1.206 438 R HN 0.380 nan 8.270 nan 0.000 0.474 439 I N 1.948 122.550 120.570 0.053 0.000 2.336 439 I HA 0.156 4.317 4.170 -0.014 0.000 0.292 439 I C -0.097 176.001 176.117 -0.032 0.000 0.991 439 I CA -0.693 60.623 61.300 0.028 0.000 1.227 439 I CB 1.074 39.088 38.000 0.023 0.000 1.366 439 I HN 0.496 nan 8.210 nan 0.000 0.466 440 N N 7.050 125.704 118.700 -0.078 0.000 2.402 440 N HA 0.103 4.835 4.740 -0.014 0.000 0.252 440 N C 0.766 176.176 175.510 -0.166 0.000 1.118 440 N CA -0.322 52.603 53.050 -0.208 0.000 0.945 440 N CB 1.019 39.240 38.487 -0.444 0.000 1.147 440 N HN 0.383 nan 8.380 nan 0.000 0.495 441 M N 2.494 121.993 119.600 -0.168 0.000 2.319 441 M HA -0.032 4.440 4.480 -0.014 0.000 0.265 441 M C 1.923 178.080 176.300 -0.238 0.000 1.068 441 M CA 0.654 55.871 55.300 -0.137 0.000 1.118 441 M CB -1.537 31.022 32.600 -0.068 0.000 1.395 441 M HN 0.611 nan 8.290 nan 0.000 0.435 442 A N -0.406 122.270 122.820 -0.239 0.000 1.898 442 A HA -0.172 4.139 4.320 -0.014 0.000 0.216 442 A C 1.995 179.360 177.584 -0.365 0.000 1.181 442 A CA 1.463 53.323 52.037 -0.296 0.000 0.620 442 A CB -1.124 17.903 19.000 0.045 0.000 0.819 442 A HN 0.590 nan 8.150 nan 0.000 0.442 443 H N -1.057 117.797 119.070 -0.360 0.000 2.353 443 H HA -0.035 4.513 4.556 -0.014 0.000 0.300 443 H C 2.129 177.234 175.328 -0.372 0.000 1.090 443 H CA 0.962 56.762 56.048 -0.412 0.000 1.327 443 H CB -0.066 29.661 29.762 -0.059 0.000 1.383 443 H HN 0.371 nan 8.280 nan 0.000 0.508 444 L N 0.408 121.548 121.223 -0.138 0.000 2.012 444 L HA -0.235 4.096 4.340 -0.014 0.000 0.210 444 L C 2.302 179.036 176.870 -0.227 0.000 1.073 444 L CA 1.323 56.078 54.840 -0.143 0.000 0.748 444 L CB -0.407 41.594 42.059 -0.095 0.000 0.891 444 L HN 0.446 nan 8.230 nan 0.000 0.431 445 C N -0.008 119.057 119.300 -0.392 0.000 2.429 445 C HA -0.174 4.278 4.460 -0.014 0.000 0.277 445 C C 2.660 177.398 174.990 -0.420 0.000 1.262 445 C CA 0.627 59.332 59.018 -0.521 0.000 1.733 445 C CB -0.744 26.301 27.740 -1.159 0.000 2.010 445 C HN 0.511 nan 8.230 nan 0.000 0.483 446 I N 1.395 121.672 120.570 -0.488 0.000 2.179 446 I HA -0.196 3.966 4.170 -0.014 0.000 0.242 446 I C 2.775 178.750 176.117 -0.237 0.000 1.088 446 I CA 1.637 62.697 61.300 -0.400 0.000 1.357 446 I CB -0.628 36.989 38.000 -0.639 0.000 1.051 446 I HN 0.260 nan 8.210 nan 0.000 0.409 447 A N 0.669 123.317 122.820 -0.286 0.000 1.908 447 A HA -0.147 4.164 4.320 -0.014 0.000 0.218 447 A C 2.232 179.869 177.584 0.087 0.000 1.181 447 A CA 2.048 53.965 52.037 -0.200 0.000 0.627 447 A CB -1.258 17.434 19.000 -0.513 0.000 0.818 447 A HN 0.495 nan 8.150 nan 0.000 0.445 448 G N -1.351 107.434 108.800 -0.024 0.000 3.284 448 G HA2 0.409 4.360 3.960 -0.014 0.000 0.236 448 G HA3 0.409 4.360 3.960 -0.014 0.000 0.236 448 G C 0.131 174.871 174.900 -0.266 0.000 1.158 448 G CA 0.525 45.487 45.100 -0.229 0.000 0.774 448 G HN 0.358 nan 8.290 nan 0.000 0.545 449 S N -0.219 115.383 115.700 -0.164 0.000 2.513 449 S HA 0.313 4.775 4.470 -0.014 0.000 0.299 449 S C 0.788 175.343 174.600 -0.075 0.000 1.087 449 S CA -0.699 57.433 58.200 -0.114 0.000 1.012 449 S CB 1.286 64.423 63.200 -0.105 0.000 1.044 449 S HN 0.503 nan 8.310 nan 0.000 0.485 450 H N 0.133 119.168 119.070 -0.059 0.000 2.548 450 H HA 0.446 4.993 4.556 -0.014 0.000 0.268 450 H C 0.159 175.479 175.328 -0.014 0.000 0.975 450 H CA 0.357 56.400 56.048 -0.010 0.000 1.195 450 H CB 0.131 29.901 29.762 0.014 0.000 1.397 450 H HN 0.510 nan 8.280 nan 0.000 0.572 451 A N 0.997 123.499 122.820 -0.530 0.000 2.455 451 A HA 0.562 4.874 4.320 -0.014 0.000 0.300 451 A C -1.381 176.000 177.584 -0.339 0.000 1.040 451 A CA -0.589 51.198 52.037 -0.417 0.000 0.697 451 A CB 2.294 21.011 19.000 -0.471 0.000 1.265 451 A HN 0.097 nan 8.150 nan 0.000 0.407 452 V N 4.154 123.833 119.914 -0.392 0.000 2.483 452 V HA 0.500 4.611 4.120 -0.014 0.000 0.297 452 V C -0.765 175.139 176.094 -0.318 0.000 1.027 452 V CA -0.796 61.263 62.300 -0.400 0.000 0.855 452 V CB 1.769 33.200 31.823 -0.653 0.000 0.995 452 V HN 1.003 nan 8.190 nan 0.000 0.424 453 N N 3.311 121.845 118.700 -0.276 0.000 2.272 453 N HA 0.603 5.334 4.740 -0.014 0.000 0.305 453 N C -0.201 175.210 175.510 -0.165 0.000 1.103 453 N CA -0.358 52.574 53.050 -0.198 0.000 0.791 453 N CB 2.861 41.207 38.487 -0.234 0.000 1.356 453 N HN 0.625 nan 8.380 nan 0.000 0.486 454 G N -0.666 108.076 108.800 -0.097 0.000 2.535 454 G HA2 0.413 4.365 3.960 -0.014 0.000 0.303 454 G HA3 0.413 4.365 3.960 -0.014 0.000 0.303 454 G C 0.763 175.726 174.900 0.105 0.000 1.237 454 G CA -0.467 44.639 45.100 0.011 0.000 0.986 454 G HN 0.636 nan 8.290 nan 0.000 0.494 455 V N -3.844 116.241 119.914 0.285 0.000 3.427 455 V HA 0.701 4.813 4.120 -0.014 0.000 0.305 455 V C 0.544 176.706 176.094 0.113 0.000 1.412 455 V CA 0.403 62.770 62.300 0.110 0.000 1.086 455 V CB -0.719 31.098 31.823 -0.010 0.000 0.964 455 V HN 1.350 nan 8.190 nan 0.000 0.439 456 A N -0.044 122.861 122.820 0.143 0.000 2.605 456 A HA 0.641 4.953 4.320 -0.014 0.000 0.294 456 A C 0.677 178.311 177.584 0.084 0.000 1.062 456 A CA -0.102 51.998 52.037 0.105 0.000 0.682 456 A CB 1.208 20.257 19.000 0.082 0.000 1.278 456 A HN 0.021 nan 8.150 nan 0.000 0.410 457 R N 0.798 121.327 120.500 0.048 0.000 2.096 457 R HA -0.146 4.186 4.340 -0.014 0.000 0.240 457 R C 1.648 177.948 176.300 0.001 0.000 1.139 457 R CA 2.239 58.346 56.100 0.011 0.000 0.952 457 R CB -0.233 30.069 30.300 0.002 0.000 0.854 457 R HN 0.821 nan 8.270 nan 0.000 0.436 458 I N 0.313 120.892 120.570 0.015 0.000 2.286 458 I HA -0.303 3.859 4.170 -0.014 0.000 0.248 458 I C 2.348 178.477 176.117 0.020 0.000 1.115 458 I CA 1.832 63.134 61.300 0.003 0.000 1.392 458 I CB -0.219 37.781 38.000 -0.000 0.000 1.065 458 I HN 0.352 nan 8.210 nan 0.000 0.418 459 H N 0.254 119.297 119.070 -0.046 0.000 2.326 459 H HA -0.118 4.430 4.556 -0.014 0.000 0.301 459 H C 2.291 177.587 175.328 -0.052 0.000 1.081 459 H CA 2.200 58.217 56.048 -0.051 0.000 1.334 459 H CB -0.285 29.451 29.762 -0.043 0.000 1.385 459 H HN 0.221 nan 8.280 nan 0.000 0.504 460 S N 0.416 115.999 115.700 -0.195 0.000 2.382 460 S HA -0.130 4.331 4.470 -0.014 0.000 0.228 460 S C 1.891 176.374 174.600 -0.195 0.000 1.027 460 S CA 1.244 59.310 58.200 -0.222 0.000 0.991 460 S CB -0.083 63.057 63.200 -0.100 0.000 0.823 460 S HN 0.489 nan 8.310 nan 0.000 0.469 461 E N 1.138 121.246 120.200 -0.154 0.000 2.072 461 E HA -0.002 4.340 4.350 -0.014 0.000 0.191 461 E C 2.028 178.517 176.600 -0.185 0.000 0.985 461 E CA 0.622 56.921 56.400 -0.168 0.000 0.801 461 E CB -0.371 29.261 29.700 -0.113 0.000 0.750 461 E HN 0.510 nan 8.360 nan 0.000 0.452 462 I N 1.032 121.507 120.570 -0.158 0.000 2.226 462 I HA -0.281 3.881 4.170 -0.014 0.000 0.245 462 I C 2.425 178.420 176.117 -0.204 0.000 1.100 462 I CA 0.818 62.028 61.300 -0.149 0.000 1.374 462 I CB -0.262 37.682 38.000 -0.092 0.000 1.057 462 I HN 0.065 nan 8.210 nan 0.000 0.413 463 L N 0.437 121.503 121.223 -0.263 0.000 2.012 463 L HA -0.253 4.079 4.340 -0.014 0.000 0.210 463 L C 2.494 179.251 176.870 -0.189 0.000 1.073 463 L CA 1.689 56.391 54.840 -0.229 0.000 0.748 463 L CB -0.644 41.354 42.059 -0.101 0.000 0.891 463 L HN 0.222 nan 8.230 nan 0.000 0.431 464 K N -0.213 119.998 120.400 -0.315 0.000 2.217 464 K HA -0.107 4.204 4.320 -0.014 0.000 0.202 464 K C 2.028 178.412 176.600 -0.360 0.000 1.051 464 K CA 0.867 56.815 56.287 -0.565 0.000 0.952 464 K CB 0.078 31.994 32.500 -0.973 0.000 0.736 464 K HN 0.291 nan 8.250 nan 0.000 0.453 465 K N -0.108 120.149 120.400 -0.240 0.000 2.284 465 K HA -0.013 4.299 4.320 -0.014 0.000 0.198 465 K C 1.908 178.451 176.600 -0.094 0.000 1.048 465 K CA 1.320 57.520 56.287 -0.144 0.000 0.987 465 K CB 0.548 32.974 32.500 -0.124 0.000 0.800 465 K HN 0.248 nan 8.250 nan 0.000 0.486 466 T N -1.123 113.366 114.554 -0.108 0.000 3.330 466 T HA 0.060 4.401 4.350 -0.014 0.000 0.185 466 T C 1.967 176.623 174.700 -0.074 0.000 0.874 466 T CA -0.001 62.049 62.100 -0.083 0.000 1.268 466 T CB -0.772 68.040 68.868 -0.093 0.000 1.866 466 T HN 0.114 nan 8.240 nan 0.000 0.395 467 I N -1.032 119.434 120.570 -0.172 0.000 2.394 467 I HA 0.233 4.395 4.170 -0.014 0.000 0.251 467 I C 1.466 177.567 176.117 -0.026 0.000 1.136 467 I CA 1.323 62.497 61.300 -0.210 0.000 1.425 467 I CB -0.576 37.150 38.000 -0.457 0.000 1.079 467 I HN 0.251 nan 8.210 nan 0.000 0.425 468 F N 0.863 120.889 119.950 0.128 0.000 2.708 468 F HA 0.332 4.850 4.527 -0.014 0.000 0.300 468 F C 2.039 177.931 175.800 0.155 0.000 1.118 468 F CA -0.627 57.520 58.000 0.246 0.000 1.307 468 F CB 0.138 39.285 39.000 0.244 0.000 0.986 468 F HN -0.078 nan 8.300 nan 0.000 0.522 469 K N 1.110 121.623 120.400 0.190 0.000 2.044 469 K HA -0.226 4.085 4.320 -0.014 0.000 0.210 469 K C 1.332 177.985 176.600 0.088 0.000 1.049 469 K CA 2.235 58.574 56.287 0.086 0.000 0.927 469 K CB -0.042 32.474 32.500 0.026 0.000 0.713 469 K HN 0.153 nan 8.250 nan 0.000 0.443 470 D N -0.071 120.353 120.400 0.041 0.000 2.123 470 D HA -0.172 4.459 4.640 -0.014 0.000 0.196 470 D C 1.817 178.018 176.300 -0.165 0.000 0.992 470 D CA 1.314 55.206 54.000 -0.179 0.000 0.833 470 D CB -0.348 40.246 40.800 -0.343 0.000 0.954 470 D HN 0.254 nan 8.370 nan 0.000 0.455 471 F N -0.278 119.741 119.950 0.115 0.000 2.186 471 F HA -0.136 4.383 4.527 -0.014 0.000 0.299 471 F C 2.343 178.279 175.800 0.227 0.000 1.090 471 F CA 0.497 58.642 58.000 0.241 0.000 1.307 471 F CB -0.671 38.542 39.000 0.356 0.000 1.019 471 F HN -0.029 nan 8.300 nan 0.000 0.489 472 Y N 1.411 121.677 120.300 -0.056 0.000 2.224 472 Y HA -0.196 4.346 4.550 -0.014 0.000 0.289 472 Y C 2.103 177.981 175.900 -0.037 0.000 1.146 472 Y CA 1.632 59.519 58.100 -0.356 0.000 1.182 472 Y CB -0.594 37.476 38.460 -0.649 0.000 0.983 472 Y HN 0.135 nan 8.280 nan 0.000 0.524 473 E N -0.346 119.801 120.200 -0.089 0.000 2.106 473 E HA -0.192 4.149 4.350 -0.014 0.000 0.192 473 E C 2.008 178.668 176.600 0.100 0.000 0.984 473 E CA 1.199 57.562 56.400 -0.061 0.000 0.806 473 E CB -0.263 29.444 29.700 0.011 0.000 0.750 473 E HN 0.441 nan 8.360 nan 0.000 0.458 474 L N 0.933 122.251 121.223 0.158 0.000 2.044 474 L HA -0.061 4.271 4.340 -0.014 0.000 0.205 474 L C 0.306 177.262 176.870 0.144 0.000 1.075 474 L CA 1.657 56.628 54.840 0.219 0.000 0.747 474 L CB 0.387 42.565 42.059 0.199 0.000 0.903 474 L HN -0.099 nan 8.230 nan 0.000 0.435 475 E N -0.320 119.961 120.200 0.135 0.000 3.386 475 E HA 0.175 4.517 4.350 -0.014 0.000 0.236 475 E C -2.004 174.548 176.600 -0.080 0.000 1.227 475 E CA -1.197 55.209 56.400 0.009 0.000 0.970 475 E CB 0.805 30.519 29.700 0.023 0.000 1.343 475 E HN 0.207 nan 8.360 nan 0.000 0.397 476 P HA -0.232 nan 4.420 nan 0.000 0.218 476 P C 1.239 178.627 177.300 0.147 0.000 1.149 476 P CA 1.315 64.327 63.100 -0.146 0.000 0.817 476 P CB -0.053 31.419 31.700 -0.380 0.000 0.785 477 H N 0.218 119.389 119.070 0.168 0.000 2.489 477 H HA 0.004 4.551 4.556 -0.014 0.000 0.293 477 H C 1.735 177.156 175.328 0.155 0.000 1.066 477 H CA 0.986 57.123 56.048 0.149 0.000 1.305 477 H CB -0.631 29.191 29.762 0.099 0.000 1.386 477 H HN 0.152 nan 8.280 nan 0.000 0.551 478 K N 0.280 120.566 120.400 -0.190 0.000 2.217 478 K HA 0.014 4.326 4.320 -0.014 0.000 0.202 478 K C -0.222 176.249 176.600 -0.214 0.000 1.051 478 K CA 0.150 56.320 56.287 -0.196 0.000 0.952 478 K CB 0.107 32.390 32.500 -0.362 0.000 0.736 478 K HN 0.057 nan 8.250 nan 0.000 0.453 479 F N 1.531 121.506 119.950 0.041 0.000 2.411 479 F HA 0.234 4.752 4.527 -0.014 0.000 0.350 479 F C 0.281 176.086 175.800 0.008 0.000 1.114 479 F CA -0.282 57.748 58.000 0.050 0.000 1.135 479 F CB 1.264 40.355 39.000 0.151 0.000 1.120 479 F HN -0.060 nan 8.300 nan 0.000 0.495 480 Q N 1.852 121.682 119.800 0.050 0.000 2.528 480 Q HA 0.351 4.682 4.340 -0.014 0.000 0.289 480 Q C -1.170 174.793 176.000 -0.062 0.000 1.091 480 Q CA -1.253 54.534 55.803 -0.027 0.000 0.797 480 Q CB 3.121 31.788 28.738 -0.118 0.000 1.466 480 Q HN 0.606 nan 8.270 nan 0.000 0.436 481 N N 0.772 119.418 118.700 -0.090 0.000 2.321 481 N HA 0.264 4.995 4.740 -0.014 0.000 0.299 481 N C -1.433 173.979 175.510 -0.163 0.000 1.048 481 N CA -0.388 52.604 53.050 -0.097 0.000 0.836 481 N CB 0.983 39.435 38.487 -0.057 0.000 1.269 481 N HN 0.279 nan 8.380 nan 0.000 0.486 482 K N 2.775 123.078 120.400 -0.163 0.000 2.675 482 K HA 0.185 4.497 4.320 -0.014 0.000 0.224 482 K C -0.925 175.677 176.600 0.004 0.000 1.003 482 K CA -0.497 55.671 56.287 -0.199 0.000 1.034 482 K CB 1.244 33.400 32.500 -0.574 0.000 1.218 482 K HN 0.534 nan 8.250 nan 0.000 0.507 483 T N 2.174 116.750 114.554 0.036 0.000 2.908 483 T HA 0.040 4.381 4.350 -0.014 0.000 0.301 483 T C 0.794 175.616 174.700 0.202 0.000 1.019 483 T CA 0.373 62.545 62.100 0.119 0.000 1.152 483 T CB 0.206 69.149 68.868 0.125 0.000 0.966 483 T HN 0.363 nan 8.240 nan 0.000 0.540 484 N N 0.735 119.572 118.700 0.228 0.000 2.267 484 N HA 0.367 5.099 4.740 -0.014 0.000 0.226 484 N C 0.508 176.199 175.510 0.302 0.000 1.314 484 N CA -0.091 53.126 53.050 0.278 0.000 0.887 484 N CB 0.367 38.957 38.487 0.171 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.634 108.354 108.800 0.313 0.000 2.687 485 G HA2 0.614 4.566 3.960 -0.014 0.000 0.291 485 G HA3 0.614 4.566 3.960 -0.014 0.000 0.291 485 G C -1.386 173.645 174.900 0.217 0.000 1.420 485 G CA -0.747 44.523 45.100 0.284 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.429 118.255 120.570 0.191 0.000 2.828 486 I HA 0.748 4.910 4.170 -0.014 0.000 0.302 486 I C -0.221 176.053 176.117 0.261 0.000 1.101 486 I CA -0.950 60.459 61.300 0.181 0.000 1.031 486 I CB 2.459 40.458 38.000 -0.002 0.000 1.231 486 I HN 0.481 nan 8.210 nan 0.000 0.427 487 T N 4.199 118.962 114.554 0.347 0.000 2.794 487 T HA 0.360 4.702 4.350 -0.014 0.000 0.296 487 T C -1.433 173.384 174.700 0.196 0.000 0.949 487 T CA -1.615 60.614 62.100 0.214 0.000 1.101 487 T CB 0.770 69.711 68.868 0.121 0.000 0.905 487 T HN 0.632 nan 8.240 nan 0.000 0.516 488 P HA 0.050 nan 4.420 nan 0.000 0.233 488 P C 1.081 178.351 177.300 -0.050 0.000 1.167 488 P CA 0.317 63.455 63.100 0.063 0.000 0.770 488 P CB 0.366 32.088 31.700 0.036 0.000 0.837 489 R N 0.476 120.899 120.500 -0.128 0.000 2.070 489 R HA -0.001 4.331 4.340 -0.014 0.000 0.227 489 R C 2.687 178.869 176.300 -0.197 0.000 1.147 489 R CA 1.567 57.550 56.100 -0.195 0.000 0.924 489 R CB -1.265 28.921 30.300 -0.189 0.000 0.827 489 R HN 0.041 nan 8.270 nan 0.000 0.431 490 R N -0.773 119.553 120.500 -0.289 0.000 2.081 490 R HA -0.133 4.199 4.340 -0.014 0.000 0.235 490 R C 1.083 177.042 176.300 -0.568 0.000 1.131 490 R CA 1.763 57.532 56.100 -0.551 0.000 0.960 490 R CB -0.183 29.585 30.300 -0.886 0.000 0.856 490 R HN 0.309 nan 8.270 nan 0.000 0.436 491 W N -0.434 120.822 121.300 -0.073 0.000 3.388 491 W HA 0.170 4.821 4.660 -0.015 0.000 0.324 491 W C 0.932 177.419 176.519 -0.054 0.000 1.250 491 W CA -0.705 56.596 57.345 -0.074 0.000 1.809 491 W CB 0.455 29.875 29.460 -0.066 0.000 1.083 491 W HN 0.229 nan 8.180 nan 0.000 0.685 492 L N -2.335 118.942 121.223 0.091 0.000 2.681 492 L HA 0.182 4.513 4.340 -0.014 0.000 0.163 492 L C 1.748 178.630 176.870 0.021 0.000 1.188 492 L CA 0.744 55.630 54.840 0.077 0.000 0.944 492 L CB -0.819 41.312 42.059 0.120 0.000 1.835 492 L HN -0.252 nan 8.230 nan 0.000 0.510 493 V N 1.097 121.000 119.914 -0.017 0.000 2.287 493 V HA -0.273 3.839 4.120 -0.014 0.000 0.248 493 V C 2.437 178.501 176.094 -0.050 0.000 1.053 493 V CA 2.489 64.769 62.300 -0.032 0.000 1.027 493 V CB -0.693 31.082 31.823 -0.080 0.000 0.646 493 V HN 0.509 nan 8.190 nan 0.000 0.447 494 L N 0.490 121.654 121.223 -0.099 0.000 2.005 494 L HA -0.194 4.137 4.340 -0.014 0.000 0.207 494 L C 2.504 179.308 176.870 -0.111 0.000 1.072 494 L CA 2.457 57.223 54.840 -0.124 0.000 0.744 494 L CB -0.285 41.650 42.059 -0.207 0.000 0.895 494 L HN 0.661 nan 8.230 nan 0.000 0.433 495 C N -1.805 117.424 119.300 -0.118 0.000 2.563 495 C HA 0.198 4.650 4.460 -0.014 0.000 0.268 495 C C 1.194 176.164 174.990 -0.034 0.000 1.365 495 C CA -0.269 58.696 59.018 -0.087 0.000 1.754 495 C CB -0.971 26.716 27.740 -0.088 0.000 1.932 495 C HN 0.599 nan 8.230 nan 0.000 0.536 496 N N 1.129 119.820 118.700 -0.014 0.000 2.733 496 N HA 0.286 5.018 4.740 -0.014 0.000 0.271 496 N C -1.814 173.705 175.510 0.015 0.000 1.720 496 N CA -1.546 51.508 53.050 0.006 0.000 0.803 496 N CB 0.793 39.293 38.487 0.021 0.000 1.208 496 N HN 0.244 nan 8.380 nan 0.000 0.498 497 P HA -0.034 nan 4.420 nan 0.000 0.217 497 P C 1.416 178.730 177.300 0.024 0.000 1.150 497 P CA 0.897 64.006 63.100 0.014 0.000 0.832 497 P CB 0.222 31.923 31.700 0.002 0.000 0.787 498 G N 0.622 109.431 108.800 0.015 0.000 2.440 498 G HA2 -0.253 3.698 3.960 -0.014 0.000 0.218 498 G HA3 -0.253 3.698 3.960 -0.014 0.000 0.218 498 G C 1.527 176.436 174.900 0.015 0.000 1.154 498 G CA 0.712 45.819 45.100 0.012 0.000 0.767 498 G HN 0.252 nan 8.290 nan 0.000 0.552 499 L N 1.201 122.435 121.223 0.018 0.000 2.072 499 L HA 0.292 4.623 4.340 -0.014 0.000 0.205 499 L C 3.062 179.964 176.870 0.053 0.000 1.079 499 L CA 1.982 56.833 54.840 0.019 0.000 0.752 499 L CB -0.757 41.312 42.059 0.017 0.000 0.906 499 L HN 0.220 nan 8.230 nan 0.000 0.436 500 A N -0.757 122.114 122.820 0.086 0.000 1.940 500 A HA -0.263 4.049 4.320 -0.014 0.000 0.219 500 A C 2.236 179.919 177.584 0.164 0.000 1.176 500 A CA 1.879 54.018 52.037 0.170 0.000 0.631 500 A CB -0.650 18.441 19.000 0.152 0.000 0.814 500 A HN 0.556 nan 8.150 nan 0.000 0.446 501 E N 0.602 120.858 120.200 0.094 0.000 2.028 501 E HA -0.146 4.195 4.350 -0.014 0.000 0.190 501 E C 1.867 178.508 176.600 0.068 0.000 0.984 501 E CA 1.512 57.958 56.400 0.076 0.000 0.800 501 E CB -0.512 29.215 29.700 0.044 0.000 0.758 501 E HN 0.729 nan 8.360 nan 0.000 0.448 502 I N -1.496 119.110 120.570 0.059 0.000 2.361 502 I HA -0.172 3.989 4.170 -0.014 0.000 0.251 502 I C 2.113 178.299 176.117 0.115 0.000 1.133 502 I CA 1.227 62.576 61.300 0.081 0.000 1.413 502 I CB -0.364 37.672 38.000 0.061 0.000 1.073 502 I HN 0.035 nan 8.210 nan 0.000 0.424 503 I N 1.917 122.530 120.570 0.072 0.000 2.202 503 I HA -0.183 3.978 4.170 -0.014 0.000 0.242 503 I C 2.999 179.060 176.117 -0.093 0.000 1.091 503 I CA 1.337 62.598 61.300 -0.066 0.000 1.368 503 I CB -0.486 37.360 38.000 -0.257 0.000 1.058 503 I HN 0.303 nan 8.210 nan 0.000 0.410 504 A N 0.327 123.191 122.820 0.073 0.000 1.972 504 A HA -0.214 4.097 4.320 -0.014 0.000 0.219 504 A C 2.165 179.777 177.584 0.047 0.000 1.169 504 A CA 1.522 53.650 52.037 0.152 0.000 0.635 504 A CB -0.573 18.550 19.000 0.204 0.000 0.810 504 A HN 0.436 nan 8.150 nan 0.000 0.446 505 E N -0.733 119.476 120.200 0.016 0.000 2.160 505 E HA -0.200 4.142 4.350 -0.014 0.000 0.195 505 E C 2.176 178.738 176.600 -0.062 0.000 0.991 505 E CA 1.050 57.446 56.400 -0.008 0.000 0.810 505 E CB -0.025 29.678 29.700 0.005 0.000 0.742 505 E HN 0.402 nan 8.360 nan 0.000 0.466 506 R N 0.036 120.439 120.500 -0.162 0.000 2.087 506 R HA 0.083 4.415 4.340 -0.014 0.000 0.216 506 R C 2.284 178.483 176.300 -0.168 0.000 1.114 506 R CA 0.859 56.777 56.100 -0.304 0.000 1.002 506 R CB -0.319 29.467 30.300 -0.858 0.000 0.903 506 R HN 0.326 nan 8.270 nan 0.000 0.445 507 I N -3.200 117.290 120.570 -0.134 0.000 4.081 507 I HA 0.461 4.623 4.170 -0.014 0.000 0.333 507 I C 0.444 176.593 176.117 0.053 0.000 1.413 507 I CA 0.093 61.370 61.300 -0.038 0.000 1.110 507 I CB 0.789 38.745 38.000 -0.074 0.000 1.082 507 I HN 0.173 nan 8.210 nan 0.000 0.402 508 G N 1.996 110.840 108.800 0.072 0.000 2.698 508 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.225 508 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.225 508 G C -0.012 175.014 174.900 0.211 0.000 1.345 508 G CA 0.234 45.400 45.100 0.110 0.000 0.871 508 G HN 0.427 nan 8.290 nan 0.000 0.540 509 E N -0.518 119.757 120.200 0.124 0.000 2.476 509 E HA 0.072 4.413 4.350 -0.014 0.000 0.199 509 E C 1.886 178.431 176.600 -0.091 0.000 1.021 509 E CA -0.021 56.394 56.400 0.025 0.000 0.907 509 E CB 0.207 29.916 29.700 0.014 0.000 0.974 509 E HN 0.448 nan 8.360 nan 0.000 0.489 510 E N 0.416 120.634 120.200 0.029 0.000 2.268 510 E HA -0.164 4.178 4.350 -0.014 0.000 0.195 510 E C 1.649 178.242 176.600 -0.011 0.000 0.995 510 E CA 0.695 57.104 56.400 0.016 0.000 0.836 510 E CB 0.048 29.780 29.700 0.054 0.000 0.763 510 E HN 0.498 nan 8.360 nan 0.000 0.491 511 Y N -1.056 119.246 120.300 0.003 0.000 2.333 511 Y HA -0.051 4.491 4.550 -0.013 0.000 0.290 511 Y C 1.965 177.840 175.900 -0.042 0.000 1.144 511 Y CA 0.636 58.729 58.100 -0.011 0.000 1.228 511 Y CB -0.792 37.664 38.460 -0.007 0.000 0.985 511 Y HN -0.097 nan 8.280 nan 0.000 0.542 512 I N 1.014 121.105 120.570 -0.798 0.000 2.335 512 I HA -0.250 3.911 4.170 -0.014 0.000 0.251 512 I C 1.743 177.602 176.117 -0.430 0.000 1.129 512 I CA 1.869 62.750 61.300 -0.698 0.000 1.402 512 I CB -0.401 37.093 38.000 -0.844 0.000 1.069 512 I HN 0.476 nan 8.210 nan 0.000 0.424 513 S N -2.026 113.528 115.700 -0.244 0.000 2.663 513 S HA 0.178 4.640 4.470 -0.014 0.000 0.243 513 S C 0.162 174.746 174.600 -0.027 0.000 1.009 513 S CA -0.471 57.668 58.200 -0.103 0.000 0.988 513 S CB 0.301 63.514 63.200 0.020 0.000 0.896 513 S HN 0.295 nan 8.310 nan 0.000 0.502 514 D N 0.662 121.055 120.400 -0.012 0.000 2.934 514 D HA 0.221 4.852 4.640 -0.014 0.000 0.249 514 D C 0.297 176.638 176.300 0.069 0.000 1.293 514 D CA -0.366 53.651 54.000 0.028 0.000 0.812 514 D CB 0.361 41.182 40.800 0.035 0.000 1.439 514 D HN 0.108 nan 8.370 nan 0.000 0.555 515 L N 1.143 122.407 121.223 0.068 0.000 2.353 515 L HA 0.003 4.334 4.340 -0.014 0.000 0.220 515 L C 1.413 178.333 176.870 0.084 0.000 1.133 515 L CA 1.495 56.404 54.840 0.116 0.000 0.798 515 L CB -0.032 42.088 42.059 0.103 0.000 0.922 515 L HN 0.244 nan 8.230 nan 0.000 0.445 516 D N -0.692 119.735 120.400 0.044 0.000 2.265 516 D HA -0.211 4.420 4.640 -0.014 0.000 0.208 516 D C 1.902 178.221 176.300 0.032 0.000 0.977 516 D CA 0.821 54.833 54.000 0.020 0.000 0.871 516 D CB 0.051 40.850 40.800 -0.001 0.000 0.925 516 D HN 0.555 nan 8.370 nan 0.000 0.485 517 Q N -0.035 119.802 119.800 0.060 0.000 2.364 517 Q HA -0.045 4.287 4.340 -0.014 0.000 0.209 517 Q C 2.255 178.270 176.000 0.026 0.000 0.977 517 Q CA 0.236 56.076 55.803 0.060 0.000 0.885 517 Q CB 0.028 28.831 28.738 0.108 0.000 0.941 517 Q HN 0.390 nan 8.270 nan 0.000 0.464 518 L N 0.138 121.370 121.223 0.014 0.000 2.261 518 L HA -0.191 4.141 4.340 -0.014 0.000 0.216 518 L C 2.296 179.158 176.870 -0.014 0.000 1.114 518 L CA 0.866 55.680 54.840 -0.043 0.000 0.777 518 L CB -0.374 41.672 42.059 -0.023 0.000 0.910 518 L HN 0.218 nan 8.230 nan 0.000 0.440 519 R N 0.409 120.913 120.500 0.006 0.000 2.127 519 R HA -0.188 4.143 4.340 -0.014 0.000 0.238 519 R C 2.114 178.421 176.300 0.012 0.000 1.134 519 R CA 1.158 57.264 56.100 0.010 0.000 0.975 519 R CB -0.234 30.070 30.300 0.006 0.000 0.865 519 R HN 0.398 nan 8.270 nan 0.000 0.447 520 K N 0.611 121.017 120.400 0.011 0.000 2.281 520 K HA -0.123 4.189 4.320 -0.014 0.000 0.203 520 K C 1.876 178.522 176.600 0.077 0.000 1.046 520 K CA 0.907 57.212 56.287 0.031 0.000 0.938 520 K CB -0.115 32.406 32.500 0.035 0.000 0.737 520 K HN 0.235 nan 8.250 nan 0.000 0.458 521 L N 0.457 121.699 121.223 0.032 0.000 2.376 521 L HA -0.142 4.190 4.340 -0.014 0.000 0.219 521 L C 1.870 178.804 176.870 0.108 0.000 1.133 521 L CA 0.058 54.923 54.840 0.042 0.000 0.816 521 L CB -0.277 41.767 42.059 -0.025 0.000 0.933 521 L HN 0.122 nan 8.230 nan 0.000 0.449 522 L N 0.153 121.413 121.223 0.062 0.000 2.127 522 L HA -0.185 4.147 4.340 -0.014 0.000 0.211 522 L C 2.691 179.561 176.870 0.001 0.000 1.089 522 L CA 1.936 56.800 54.840 0.040 0.000 0.757 522 L CB -0.951 41.117 42.059 0.016 0.000 0.899 522 L HN 0.362 nan 8.230 nan 0.000 0.434 523 S N -2.732 112.931 115.700 -0.062 0.000 2.607 523 S HA -0.070 4.391 4.470 -0.014 0.000 0.224 523 S C 1.156 175.510 174.600 -0.410 0.000 0.969 523 S CA 0.227 58.290 58.200 -0.228 0.000 0.927 523 S CB -0.544 62.474 63.200 -0.303 0.000 0.772 523 S HN 0.469 nan 8.310 nan 0.000 0.533 524 Y N -0.574 119.663 120.300 -0.106 0.000 2.557 524 Y HA 0.435 4.983 4.550 -0.003 0.000 0.247 524 Y C 1.854 177.794 175.900 0.066 0.000 1.164 524 Y CA -0.559 57.476 58.100 -0.110 0.000 1.218 524 Y CB 0.275 38.463 38.460 -0.453 0.000 1.210 524 Y HN 0.249 nan 8.280 nan 0.000 0.529 525 V N 0.401 120.410 119.914 0.158 0.000 2.759 525 V HA -0.196 3.916 4.120 -0.014 0.000 0.256 525 V C 0.892 177.057 176.094 0.118 0.000 1.080 525 V CA 2.133 64.526 62.300 0.155 0.000 1.101 525 V CB -0.007 31.869 31.823 0.088 0.000 0.698 525 V HN 0.352 nan 8.190 nan 0.000 0.477 526 D N -0.715 119.734 120.400 0.082 0.000 2.395 526 D HA 0.116 4.748 4.640 -0.014 0.000 0.213 526 D C 0.343 176.689 176.300 0.077 0.000 1.110 526 D CA -0.012 54.024 54.000 0.060 0.000 0.835 526 D CB 0.163 40.975 40.800 0.021 0.000 0.965 526 D HN 0.438 nan 8.370 nan 0.000 0.505 527 D N 1.449 121.931 120.400 0.136 0.000 2.336 527 D HA -0.012 4.620 4.640 -0.014 0.000 0.249 527 D C 1.055 177.462 176.300 0.179 0.000 1.213 527 D CA -0.031 54.071 54.000 0.169 0.000 0.870 527 D CB 1.637 42.607 40.800 0.284 0.000 1.076 527 D HN -0.181 nan 8.370 nan 0.000 0.483 528 E N 3.046 123.315 120.200 0.116 0.000 2.150 528 E HA -0.124 4.218 4.350 -0.014 0.000 0.193 528 E C 1.760 178.415 176.600 0.092 0.000 0.985 528 E CA 1.217 57.669 56.400 0.086 0.000 0.814 528 E CB 0.044 29.777 29.700 0.055 0.000 0.752 528 E HN 0.599 nan 8.360 nan 0.000 0.466 529 A N -0.247 122.644 122.820 0.118 0.000 1.873 529 A HA -0.141 4.170 4.320 -0.014 0.000 0.215 529 A C 2.196 179.869 177.584 0.148 0.000 1.186 529 A CA 1.284 53.389 52.037 0.113 0.000 0.616 529 A CB -0.951 18.119 19.000 0.117 0.000 0.823 529 A HN 0.438 nan 8.150 nan 0.000 0.442 530 F N 0.450 120.423 119.950 0.038 0.000 2.102 530 F HA -0.168 4.351 4.527 -0.013 0.000 0.298 530 F C 2.062 177.872 175.800 0.016 0.000 1.105 530 F CA 1.688 59.697 58.000 0.014 0.000 1.239 530 F CB -0.132 38.889 39.000 0.036 0.000 0.991 530 F HN 0.168 nan 8.300 nan 0.000 0.474 531 I N 0.264 120.858 120.570 0.040 0.000 2.151 531 I HA -0.380 3.781 4.170 -0.014 0.000 0.243 531 I C 2.606 178.668 176.117 -0.092 0.000 1.080 531 I CA 1.827 63.097 61.300 -0.050 0.000 1.339 531 I CB -0.550 37.471 38.000 0.035 0.000 1.039 531 I HN 0.121 nan 8.210 nan 0.000 0.409 532 R N 0.839 121.312 120.500 -0.044 0.000 2.081 532 R HA -0.196 4.135 4.340 -0.014 0.000 0.235 532 R C 1.863 178.115 176.300 -0.081 0.000 1.131 532 R CA 1.964 58.036 56.100 -0.046 0.000 0.960 532 R CB -0.146 30.147 30.300 -0.013 0.000 0.856 532 R HN 0.297 nan 8.270 nan 0.000 0.436 533 D N -0.232 120.101 120.400 -0.113 0.000 2.117 533 D HA -0.112 4.520 4.640 -0.014 0.000 0.198 533 D C 1.968 178.140 176.300 -0.213 0.000 0.982 533 D CA 1.196 55.115 54.000 -0.135 0.000 0.828 533 D CB -0.181 40.559 40.800 -0.100 0.000 0.967 533 D HN 0.080 nan 8.370 nan 0.000 0.464 534 V N 1.514 121.201 119.914 -0.379 0.000 2.287 534 V HA -0.261 3.851 4.120 -0.014 0.000 0.248 534 V C 2.518 178.518 176.094 -0.157 0.000 1.053 534 V CA 1.986 64.079 62.300 -0.344 0.000 1.027 534 V CB -0.823 30.712 31.823 -0.479 0.000 0.646 534 V HN 0.194 nan 8.190 nan 0.000 0.447 535 A N -0.657 122.092 122.820 -0.118 0.000 1.969 535 A HA -0.230 4.082 4.320 -0.014 0.000 0.218 535 A C 2.353 179.901 177.584 -0.059 0.000 1.169 535 A CA 1.988 53.990 52.037 -0.058 0.000 0.635 535 A CB -0.443 18.528 19.000 -0.049 0.000 0.810 535 A HN 0.531 nan 8.150 nan 0.000 0.445 536 K N -0.196 120.164 120.400 -0.067 0.000 2.057 536 K HA -0.068 4.244 4.320 -0.014 0.000 0.206 536 K C 1.800 178.374 176.600 -0.043 0.000 1.050 536 K CA 1.476 57.733 56.287 -0.050 0.000 0.935 536 K CB -0.237 32.236 32.500 -0.045 0.000 0.715 536 K HN 0.220 nan 8.250 nan 0.000 0.439 537 V N 1.799 121.682 119.914 -0.052 0.000 2.343 537 V HA -0.244 3.868 4.120 -0.014 0.000 0.247 537 V C 2.376 178.457 176.094 -0.023 0.000 1.051 537 V CA 1.954 64.233 62.300 -0.036 0.000 1.036 537 V CB -0.438 31.358 31.823 -0.046 0.000 0.654 537 V HN 0.346 nan 8.190 nan 0.000 0.451 538 K N 0.411 120.796 120.400 -0.026 0.000 2.026 538 K HA -0.216 4.096 4.320 -0.014 0.000 0.208 538 K C 2.169 178.745 176.600 -0.040 0.000 1.048 538 K CA 1.751 58.029 56.287 -0.015 0.000 0.929 538 K CB -0.511 31.995 32.500 0.012 0.000 0.713 538 K HN 0.371 nan 8.250 nan 0.000 0.439 539 Q N 1.057 120.826 119.800 -0.051 0.000 2.096 539 Q HA -0.137 4.195 4.340 -0.014 0.000 0.204 539 Q C 1.694 177.674 176.000 -0.033 0.000 0.982 539 Q CA 2.076 57.840 55.803 -0.064 0.000 0.850 539 Q CB -0.118 28.586 28.738 -0.057 0.000 0.901 539 Q HN 0.512 nan 8.270 nan 0.000 0.422 540 E N -0.479 119.714 120.200 -0.012 0.000 2.077 540 E HA -0.178 4.164 4.350 -0.014 0.000 0.193 540 E C 1.803 178.426 176.600 0.039 0.000 0.989 540 E CA 1.070 57.477 56.400 0.012 0.000 0.800 540 E CB -0.130 29.575 29.700 0.008 0.000 0.746 540 E HN 0.407 nan 8.360 nan 0.000 0.452 541 N N 1.024 119.744 118.700 0.034 0.000 2.120 541 N HA -0.146 4.585 4.740 -0.014 0.000 0.188 541 N C 1.531 177.119 175.510 0.130 0.000 1.024 541 N CA 1.107 54.197 53.050 0.067 0.000 0.852 541 N CB -0.120 38.391 38.487 0.039 0.000 1.003 541 N HN 0.140 nan 8.380 nan 0.000 0.424 542 K N 0.487 120.924 120.400 0.062 0.000 2.057 542 K HA 0.015 4.327 4.320 -0.014 0.000 0.206 542 K C 2.113 178.836 176.600 0.205 0.000 1.050 542 K CA 0.639 56.969 56.287 0.072 0.000 0.935 542 K CB -0.144 32.134 32.500 -0.370 0.000 0.715 542 K HN 0.110 nan 8.250 nan 0.000 0.439 543 L N 1.179 122.470 121.223 0.112 0.000 2.027 543 L HA -0.190 4.142 4.340 -0.014 0.000 0.206 543 L C 2.618 179.586 176.870 0.162 0.000 1.074 543 L CA 1.303 56.218 54.840 0.124 0.000 0.745 543 L CB -0.341 41.760 42.059 0.069 0.000 0.898 543 L HN 0.154 nan 8.230 nan 0.000 0.433 544 K N -0.251 120.246 120.400 0.162 0.000 2.063 544 K HA -0.255 4.056 4.320 -0.014 0.000 0.208 544 K C 2.192 178.948 176.600 0.260 0.000 1.048 544 K CA 1.793 58.185 56.287 0.176 0.000 0.928 544 K CB -0.184 32.404 32.500 0.145 0.000 0.713 544 K HN 0.094 nan 8.250 nan 0.000 0.442 545 F N 0.986 121.042 119.950 0.176 0.000 2.206 545 F HA -0.017 4.501 4.527 -0.014 0.000 0.298 545 F C 2.007 177.965 175.800 0.263 0.000 1.090 545 F CA 1.134 59.271 58.000 0.229 0.000 1.323 545 F CB -0.360 38.780 39.000 0.233 0.000 1.028 545 F HN 0.076 nan 8.300 nan 0.000 0.492 546 A N 0.126 123.109 122.820 0.272 0.000 1.972 546 A HA -0.053 4.259 4.320 -0.014 0.000 0.219 546 A C 2.368 179.982 177.584 0.051 0.000 1.169 546 A CA 1.657 53.783 52.037 0.147 0.000 0.635 546 A CB -1.395 17.758 19.000 0.255 0.000 0.810 546 A HN 0.438 nan 8.150 nan 0.000 0.446 547 A N -1.661 121.212 122.820 0.087 0.000 1.929 547 A HA -0.034 4.278 4.320 -0.014 0.000 0.216 547 A C 2.092 179.697 177.584 0.035 0.000 1.176 547 A CA 1.383 53.458 52.037 0.063 0.000 0.628 547 A CB -0.749 18.303 19.000 0.088 0.000 0.816 547 A HN 0.721 nan 8.150 nan 0.000 0.444 548 Y N 0.522 120.770 120.300 -0.087 0.000 2.181 548 Y HA -0.172 4.369 4.550 -0.014 0.000 0.288 548 Y C 1.919 177.730 175.900 -0.148 0.000 1.146 548 Y CA 1.819 59.849 58.100 -0.117 0.000 1.164 548 Y CB -0.175 38.208 38.460 -0.129 0.000 0.982 548 Y HN 0.214 nan 8.280 nan 0.000 0.515 549 L N 0.014 121.065 121.223 -0.287 0.000 2.046 549 L HA -0.198 4.134 4.340 -0.014 0.000 0.208 549 L C 2.384 179.144 176.870 -0.184 0.000 1.077 549 L CA 1.628 56.305 54.840 -0.272 0.000 0.747 549 L CB -0.489 41.398 42.059 -0.288 0.000 0.896 549 L HN 0.333 nan 8.230 nan 0.000 0.432 550 E N -0.187 119.924 120.200 -0.148 0.000 2.072 550 E HA -0.178 4.163 4.350 -0.014 0.000 0.190 550 E C 2.337 178.854 176.600 -0.139 0.000 0.982 550 E CA 0.807 57.135 56.400 -0.120 0.000 0.803 550 E CB 0.021 29.698 29.700 -0.039 0.000 0.755 550 E HN 0.431 nan 8.360 nan 0.000 0.453 551 R N 0.652 121.057 120.500 -0.158 0.000 2.073 551 R HA -0.138 4.194 4.340 -0.014 0.000 0.234 551 R C 1.952 178.090 176.300 -0.270 0.000 1.134 551 R CA 1.261 57.261 56.100 -0.167 0.000 0.952 551 R CB -0.033 30.193 30.300 -0.124 0.000 0.850 551 R HN 0.003 nan 8.270 nan 0.000 0.433 552 E N -1.607 118.316 120.200 -0.462 0.000 2.415 552 E HA 0.013 4.354 4.350 -0.014 0.000 0.197 552 E C 0.126 176.193 176.600 -0.889 0.000 1.007 552 E CA 0.663 56.634 56.400 -0.714 0.000 0.890 552 E CB 0.540 29.614 29.700 -1.043 0.000 0.891 552 E HN 0.335 nan 8.360 nan 0.000 0.496 553 Y N -0.558 119.585 120.300 -0.263 0.000 2.666 553 Y HA 0.258 4.799 4.550 -0.014 0.000 0.260 553 Y C -0.144 175.653 175.900 -0.172 0.000 1.089 553 Y CA -0.655 57.334 58.100 -0.185 0.000 1.246 553 Y CB 0.824 39.175 38.460 -0.181 0.000 1.353 553 Y HN -0.291 nan 8.280 nan 0.000 0.558 554 K N 0.894 121.237 120.400 -0.095 0.000 3.156 554 K HA -0.136 4.176 4.320 -0.014 0.000 0.266 554 K C -0.532 175.897 176.600 -0.285 0.000 0.966 554 K CA 0.874 57.067 56.287 -0.156 0.000 0.719 554 K CB -2.101 30.340 32.500 -0.098 0.000 1.333 554 K HN 0.275 nan 8.250 nan 0.000 0.468 555 V N -2.215 117.528 119.914 -0.285 0.000 2.555 555 V HA 0.522 4.634 4.120 -0.014 0.000 0.302 555 V C 0.126 176.012 176.094 -0.346 0.000 1.038 555 V CA -1.019 61.078 62.300 -0.339 0.000 0.887 555 V CB 1.702 33.429 31.823 -0.160 0.000 0.991 555 V HN 0.317 nan 8.190 nan 0.000 0.434 556 H N 5.275 124.330 119.070 -0.024 0.000 2.552 556 H HA 0.767 5.314 4.556 -0.014 0.000 0.311 556 H C 0.027 175.343 175.328 -0.019 0.000 1.071 556 H CA -0.299 55.740 56.048 -0.016 0.000 1.307 556 H CB 1.379 31.137 29.762 -0.008 0.000 1.416 556 H HN 0.930 nan 8.280 nan 0.000 0.464 557 I N -0.360 120.270 120.570 0.101 0.000 2.689 557 I HA 0.452 4.613 4.170 -0.014 0.000 0.299 557 I C -0.455 175.742 176.117 0.133 0.000 1.059 557 I CA -1.367 59.980 61.300 0.078 0.000 1.055 557 I CB 2.176 40.183 38.000 0.011 0.000 1.243 557 I HN 0.349 nan 8.210 nan 0.000 0.425 558 N N 5.527 124.309 118.700 0.137 0.000 2.401 558 N HA 0.371 5.103 4.740 -0.014 0.000 0.255 558 N C -1.996 173.662 175.510 0.246 0.000 1.110 558 N CA -2.331 50.809 53.050 0.149 0.000 0.949 558 N CB 0.963 39.511 38.487 0.100 0.000 1.110 558 N HN 0.399 nan 8.380 nan 0.000 0.490 559 P HA 0.068 nan 4.420 nan 0.000 0.237 559 P C -0.135 177.156 177.300 -0.014 0.000 1.178 559 P CA 0.850 64.043 63.100 0.153 0.000 0.766 559 P CB 0.229 31.994 31.700 0.108 0.000 0.876 560 N N -1.077 117.648 118.700 0.041 0.000 2.353 560 N HA -0.004 4.728 4.740 -0.014 0.000 0.185 560 N C 0.391 175.936 175.510 0.059 0.000 1.098 560 N CA -0.037 53.026 53.050 0.021 0.000 0.872 560 N CB -0.006 38.502 38.487 0.034 0.000 0.970 560 N HN 0.138 nan 8.380 nan 0.000 0.467 561 S N 0.062 115.813 115.700 0.085 0.000 2.632 561 S HA 0.206 4.667 4.470 -0.014 0.000 0.267 561 S C 0.059 174.643 174.600 -0.026 0.000 1.276 561 S CA -0.931 57.309 58.200 0.067 0.000 0.998 561 S CB 1.037 64.305 63.200 0.113 0.000 0.953 561 S HN 0.179 nan 8.310 nan 0.000 0.547 562 L N 2.093 123.142 121.223 -0.289 0.000 2.418 562 L HA 0.345 4.676 4.340 -0.014 0.000 0.274 562 L C -0.862 175.990 176.870 -0.031 0.000 1.135 562 L CA -0.476 54.003 54.840 -0.602 0.000 0.870 562 L CB -0.238 41.197 42.059 -1.040 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.282 124.098 119.950 -0.223 0.000 2.405 563 F HA 0.097 4.616 4.527 -0.013 0.000 0.358 563 F C 0.442 176.175 175.800 -0.111 0.000 1.151 563 F CA -0.779 57.160 58.000 -0.103 0.000 1.161 563 F CB 0.545 39.532 39.000 -0.021 0.000 1.245 563 F HN 0.514 nan 8.300 nan 0.000 0.545 564 D N 4.946 125.347 120.400 0.002 0.000 2.412 564 D HA 0.239 4.870 4.640 -0.014 0.000 0.224 564 D C -1.145 175.099 176.300 -0.094 0.000 1.093 564 D CA -0.100 53.859 54.000 -0.069 0.000 0.850 564 D CB 1.510 42.252 40.800 -0.096 0.000 1.046 564 D HN 0.271 nan 8.370 nan 0.000 0.507 565 V N 3.533 123.377 119.914 -0.117 0.000 2.588 565 V HA 0.531 4.642 4.120 -0.014 0.000 0.304 565 V C -1.415 174.532 176.094 -0.244 0.000 1.042 565 V CA -0.627 61.587 62.300 -0.144 0.000 0.877 565 V CB 1.832 33.626 31.823 -0.049 0.000 0.996 565 V HN 0.547 nan 8.190 nan 0.000 0.425 566 Q N 4.912 124.581 119.800 -0.219 0.000 2.394 566 Q HA 0.643 4.975 4.340 -0.014 0.000 0.261 566 Q C -1.416 174.416 176.000 -0.279 0.000 1.023 566 Q CA -0.622 55.034 55.803 -0.244 0.000 0.720 566 Q CB 1.809 30.432 28.738 -0.190 0.000 1.241 566 Q HN 1.043 nan 8.270 nan 0.000 0.483 567 V N 1.602 121.335 119.914 -0.302 0.000 2.444 567 V HA 0.867 4.979 4.120 -0.014 0.000 0.294 567 V C -0.935 174.880 176.094 -0.465 0.000 1.022 567 V CA -0.545 61.396 62.300 -0.598 0.000 0.850 567 V CB 1.161 32.395 31.823 -0.982 0.000 0.992 567 V HN 0.816 nan 8.190 nan 0.000 0.426 568 K N 2.537 122.705 120.400 -0.387 0.000 2.960 568 K HA 0.422 4.733 4.320 -0.014 0.000 0.296 568 K C -1.218 175.390 176.600 0.013 0.000 1.092 568 K CA -1.201 55.048 56.287 -0.062 0.000 0.847 568 K CB 0.813 33.272 32.500 -0.068 0.000 1.458 568 K HN 0.440 nan 8.250 nan 0.000 0.359 569 R N 1.011 121.586 120.500 0.126 0.000 2.640 569 R HA 0.124 4.455 4.340 -0.014 0.000 0.270 569 R C 0.352 176.693 176.300 0.069 0.000 1.024 569 R CA -0.267 55.920 56.100 0.145 0.000 1.085 569 R CB -0.179 30.263 30.300 0.237 0.000 0.963 569 R HN 0.475 nan 8.270 nan 0.000 0.426 570 I N 4.735 125.305 120.570 -0.000 0.000 2.505 570 I HA 0.079 4.241 4.170 -0.014 0.000 0.287 570 I C 0.784 176.764 176.117 -0.228 0.000 1.104 570 I CA 0.658 61.903 61.300 -0.091 0.000 1.387 570 I CB -0.344 37.604 38.000 -0.086 0.000 1.404 570 I HN 0.267 nan 8.210 nan 0.000 0.528 571 H N 4.472 123.446 119.070 -0.160 0.000 2.996 571 H HA 0.225 4.773 4.556 -0.014 0.000 0.368 571 H C 0.484 175.693 175.328 -0.199 0.000 1.185 571 H CA -0.473 55.508 56.048 -0.111 0.000 1.160 571 H CB 2.104 31.701 29.762 -0.276 0.000 1.820 571 H HN 0.521 nan 8.280 nan 0.000 0.547 572 E N 1.314 121.561 120.200 0.079 0.000 2.077 572 E HA -0.221 4.120 4.350 -0.014 0.000 0.193 572 E C 1.489 177.846 176.600 -0.406 0.000 0.989 572 E CA 1.656 58.038 56.400 -0.030 0.000 0.800 572 E CB 0.010 29.862 29.700 0.253 0.000 0.746 572 E HN 0.566 nan 8.360 nan 0.000 0.452 573 Y N 0.794 120.608 120.300 -0.810 0.000 2.293 573 Y HA -0.025 4.517 4.550 -0.014 0.000 0.291 573 Y C 1.536 177.161 175.900 -0.459 0.000 1.137 573 Y CA 0.904 58.324 58.100 -1.134 0.000 1.202 573 Y CB -0.090 37.737 38.460 -1.056 0.000 0.990 573 Y HN -0.211 nan 8.280 nan 0.000 0.537 574 K N 0.656 120.566 120.400 -0.816 0.000 2.432 574 K HA 0.077 4.388 4.320 -0.014 0.000 0.196 574 K C 0.126 176.546 176.600 -0.301 0.000 1.038 574 K CA 0.510 56.445 56.287 -0.587 0.000 0.986 574 K CB -0.022 32.131 32.500 -0.579 0.000 0.782 574 K HN 0.268 nan 8.250 nan 0.000 0.485 575 R N 0.339 120.694 120.500 -0.243 0.000 3.423 575 R HA -0.225 4.107 4.340 -0.014 0.000 0.271 575 R C 0.337 176.557 176.300 -0.134 0.000 1.093 575 R CA 0.237 56.248 56.100 -0.150 0.000 0.730 575 R CB -1.962 28.266 30.300 -0.121 0.000 1.190 575 R HN 0.294 nan 8.270 nan 0.000 0.437 576 Q N 0.377 120.097 119.800 -0.133 0.000 2.197 576 Q HA -0.106 4.226 4.340 -0.014 0.000 0.207 576 Q C 2.042 177.995 176.000 -0.079 0.000 0.984 576 Q CA 1.679 57.419 55.803 -0.104 0.000 0.869 576 Q CB -0.044 28.636 28.738 -0.097 0.000 0.906 576 Q HN 0.584 nan 8.270 nan 0.000 0.426 577 L N -0.614 120.564 121.223 -0.075 0.000 2.083 577 L HA -0.189 4.142 4.340 -0.014 0.000 0.209 577 L C 2.038 178.911 176.870 0.005 0.000 1.083 577 L CA 0.552 55.364 54.840 -0.048 0.000 0.752 577 L CB -0.350 41.690 42.059 -0.032 0.000 0.899 577 L HN 0.310 nan 8.230 nan 0.000 0.433 578 L N -0.011 121.208 121.223 -0.006 0.000 2.056 578 L HA -0.229 4.102 4.340 -0.014 0.000 0.207 578 L C 2.037 178.973 176.870 0.110 0.000 1.078 578 L CA 1.879 56.732 54.840 0.022 0.000 0.749 578 L CB -0.835 41.134 42.059 -0.151 0.000 0.901 578 L HN 0.279 nan 8.230 nan 0.000 0.433 579 N N -1.588 117.141 118.700 0.047 0.000 2.069 579 N HA -0.247 4.485 4.740 -0.014 0.000 0.191 579 N C 1.955 177.548 175.510 0.139 0.000 1.031 579 N CA 1.701 54.852 53.050 0.168 0.000 0.852 579 N CB -0.146 38.368 38.487 0.044 0.000 1.018 579 N HN 0.497 nan 8.380 nan 0.000 0.423 580 C N 0.619 119.937 119.300 0.031 0.000 2.401 580 C HA -0.102 4.350 4.460 -0.014 0.000 0.276 580 C C 2.608 177.594 174.990 -0.008 0.000 1.233 580 C CA 0.442 59.432 59.018 -0.047 0.000 1.753 580 C CB -1.282 26.378 27.740 -0.133 0.000 2.029 580 C HN 0.507 nan 8.230 nan 0.000 0.478 581 L N -0.466 120.813 121.223 0.094 0.000 2.083 581 L HA -0.193 4.139 4.340 -0.014 0.000 0.209 581 L C 2.761 179.788 176.870 0.261 0.000 1.083 581 L CA 1.764 56.707 54.840 0.171 0.000 0.752 581 L CB -1.045 41.177 42.059 0.272 0.000 0.899 581 L HN 0.592 nan 8.230 nan 0.000 0.433 582 H N 0.011 119.193 119.070 0.186 0.000 2.326 582 H HA -0.137 4.411 4.556 -0.014 0.000 0.301 582 H C 2.261 177.585 175.328 -0.008 0.000 1.081 582 H CA 1.918 57.990 56.048 0.042 0.000 1.334 582 H CB 0.296 29.998 29.762 -0.100 0.000 1.385 582 H HN 0.080 nan 8.280 nan 0.000 0.504 583 V N 1.646 121.495 119.914 -0.109 0.000 2.282 583 V HA -0.301 3.811 4.120 -0.014 0.000 0.249 583 V C 2.843 178.879 176.094 -0.096 0.000 1.057 583 V CA 2.073 64.277 62.300 -0.160 0.000 1.032 583 V CB -0.560 31.209 31.823 -0.090 0.000 0.645 583 V HN 0.393 nan 8.190 nan 0.000 0.447 584 I N -0.311 120.237 120.570 -0.036 0.000 2.315 584 I HA -0.217 3.944 4.170 -0.014 0.000 0.248 584 I C 2.511 178.691 176.117 0.105 0.000 1.117 584 I CA 1.739 63.087 61.300 0.081 0.000 1.404 584 I CB -0.736 37.289 38.000 0.042 0.000 1.071 584 I HN 0.326 nan 8.210 nan 0.000 0.419 585 T N 1.304 115.874 114.554 0.027 0.000 2.684 585 T HA -0.168 4.174 4.350 -0.014 0.000 0.267 585 T C 1.880 176.533 174.700 -0.078 0.000 1.036 585 T CA 1.298 63.401 62.100 0.006 0.000 1.148 585 T CB -0.292 68.603 68.868 0.045 0.000 0.863 585 T HN 0.073 nan 8.240 nan 0.000 0.436 586 L N 0.089 121.192 121.223 -0.200 0.000 2.012 586 L HA -0.038 4.293 4.340 -0.014 0.000 0.210 586 L C 2.116 178.948 176.870 -0.065 0.000 1.073 586 L CA 1.584 56.308 54.840 -0.194 0.000 0.748 586 L CB -1.151 40.723 42.059 -0.308 0.000 0.891 586 L HN 0.367 nan 8.230 nan 0.000 0.431 587 Y N 0.325 120.566 120.300 -0.098 0.000 2.128 587 Y HA -0.301 4.241 4.550 -0.014 0.000 0.284 587 Y C 2.456 178.343 175.900 -0.022 0.000 1.154 587 Y CA 1.881 59.964 58.100 -0.028 0.000 1.149 587 Y CB -0.122 38.369 38.460 0.053 0.000 0.976 587 Y HN 0.278 nan 8.280 nan 0.000 0.505 588 N N 0.443 119.105 118.700 -0.064 0.000 2.166 588 N HA -0.149 4.583 4.740 -0.014 0.000 0.186 588 N C 1.831 177.232 175.510 -0.181 0.000 1.019 588 N CA 1.559 54.511 53.050 -0.165 0.000 0.856 588 N CB -0.357 38.097 38.487 -0.054 0.000 0.993 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.362 120.781 120.500 -0.134 0.000 2.075 589 R HA 0.071 4.402 4.340 -0.014 0.000 0.232 589 R C 2.243 178.458 176.300 -0.141 0.000 1.126 589 R CA 0.786 56.814 56.100 -0.121 0.000 0.963 589 R CB -0.279 29.960 30.300 -0.101 0.000 0.858 589 R HN 0.237 nan 8.270 nan 0.000 0.435 590 I N 1.027 121.495 120.570 -0.171 0.000 2.179 590 I HA -0.287 3.874 4.170 -0.014 0.000 0.242 590 I C 2.139 178.139 176.117 -0.195 0.000 1.088 590 I CA 1.256 62.454 61.300 -0.170 0.000 1.357 590 I CB -0.215 37.688 38.000 -0.161 0.000 1.051 590 I HN 0.037 nan 8.210 nan 0.000 0.409 591 K N 0.842 121.062 120.400 -0.300 0.000 2.147 591 K HA -0.193 4.118 4.320 -0.014 0.000 0.205 591 K C 2.027 178.527 176.600 -0.167 0.000 1.049 591 K CA 1.164 57.287 56.287 -0.272 0.000 0.936 591 K CB -0.293 31.967 32.500 -0.401 0.000 0.722 591 K HN 0.340 nan 8.250 nan 0.000 0.446 592 K N 1.097 121.407 120.400 -0.151 0.000 2.116 592 K HA -0.075 4.237 4.320 -0.014 0.000 0.203 592 K C -0.030 176.522 176.600 -0.079 0.000 1.052 592 K CA 1.001 57.225 56.287 -0.104 0.000 0.952 592 K CB 0.361 32.804 32.500 -0.096 0.000 0.729 592 K HN 0.068 nan 8.250 nan 0.000 0.446 593 E N 0.175 120.326 120.200 -0.081 0.000 3.108 593 E HA 0.120 4.462 4.350 -0.014 0.000 0.228 593 E C -2.333 174.233 176.600 -0.058 0.000 1.176 593 E CA -1.602 54.763 56.400 -0.057 0.000 0.881 593 E CB 1.743 31.415 29.700 -0.046 0.000 1.354 593 E HN 0.115 nan 8.360 nan 0.000 0.400 594 P HA -0.119 nan 4.420 nan 0.000 0.218 594 P C 0.227 177.510 177.300 -0.028 0.000 1.149 594 P CA 1.134 64.204 63.100 -0.052 0.000 0.817 594 P CB 0.206 31.880 31.700 -0.044 0.000 0.785 595 N N -1.171 117.521 118.700 -0.014 0.000 2.276 595 N HA 0.019 4.751 4.740 -0.014 0.000 0.212 595 N C 0.513 176.039 175.510 0.027 0.000 1.127 595 N CA -0.098 52.956 53.050 0.008 0.000 0.834 595 N CB 0.090 38.581 38.487 0.006 0.000 1.014 595 N HN -0.003 nan 8.380 nan 0.000 0.491 596 K N 1.168 121.578 120.400 0.016 0.000 2.143 596 K HA 0.144 4.455 4.320 -0.014 0.000 0.272 596 K C -0.896 175.744 176.600 0.067 0.000 1.001 596 K CA -0.548 55.764 56.287 0.040 0.000 0.915 596 K CB 0.642 33.145 32.500 0.006 0.000 1.047 596 K HN -0.045 nan 8.250 nan 0.000 0.458 597 F N 4.589 124.527 119.950 -0.021 0.000 2.456 597 F HA 0.202 4.720 4.527 -0.014 0.000 0.358 597 F C -0.383 175.404 175.800 -0.022 0.000 1.095 597 F CA -0.181 57.807 58.000 -0.019 0.000 1.216 597 F CB 0.599 39.590 39.000 -0.014 0.000 1.125 597 F HN 0.176 nan 8.300 nan 0.000 0.549 598 V N 4.174 123.550 119.914 -0.897 0.000 2.876 598 V HA 0.545 4.657 4.120 -0.014 0.000 0.312 598 V C -0.663 174.790 176.094 -1.068 0.000 1.085 598 V CA -1.250 60.611 62.300 -0.731 0.000 0.945 598 V CB 1.023 32.629 31.823 -0.361 0.000 1.017 598 V HN 0.567 nan 8.190 nan 0.000 0.428 599 V N 4.559 124.120 119.914 -0.588 0.000 2.493 599 V HA 0.192 4.304 4.120 -0.014 0.000 0.292 599 V C -1.848 174.080 176.094 -0.276 0.000 1.016 599 V CA -0.473 61.630 62.300 -0.327 0.000 1.097 599 V CB 0.367 32.135 31.823 -0.092 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.350 nan 4.420 nan 0.000 0.271 600 P C -0.422 176.798 177.300 -0.132 0.000 1.216 600 P CA -0.117 62.899 63.100 -0.139 0.000 0.776 600 P CB 0.568 32.235 31.700 -0.056 0.000 0.881 601 R N 1.021 121.452 120.500 -0.114 0.000 2.686 601 R HA 0.557 4.889 4.340 -0.014 0.000 0.286 601 R C -0.705 175.561 176.300 -0.057 0.000 0.969 601 R CA -0.621 55.415 56.100 -0.107 0.000 0.898 601 R CB 1.908 32.129 30.300 -0.133 0.000 1.183 601 R HN 0.310 nan 8.270 nan 0.000 0.456 602 T N 2.150 116.686 114.554 -0.030 0.000 2.788 602 T HA 0.231 4.573 4.350 -0.014 0.000 0.296 602 T C -0.292 174.327 174.700 -0.135 0.000 1.009 602 T CA -0.486 61.554 62.100 -0.100 0.000 0.949 602 T CB 1.099 69.842 68.868 -0.208 0.000 0.946 602 T HN 0.131 nan 8.240 nan 0.000 0.453 603 V N 6.062 125.905 119.914 -0.118 0.000 2.368 603 V HA 0.376 4.488 4.120 -0.014 0.000 0.266 603 V C 0.116 176.134 176.094 -0.126 0.000 1.045 603 V CA -0.365 61.870 62.300 -0.108 0.000 0.899 603 V CB 0.424 32.199 31.823 -0.079 0.000 1.006 603 V HN 0.856 nan 8.190 nan 0.000 0.470 604 M N 6.822 126.336 119.600 -0.144 0.000 2.227 604 M HA 0.618 5.089 4.480 -0.014 0.000 0.335 604 M C -0.939 175.255 176.300 -0.178 0.000 1.053 604 M CA -0.171 55.035 55.300 -0.157 0.000 0.973 604 M CB 1.876 34.381 32.600 -0.159 0.000 1.623 604 M HN 0.399 nan 8.290 nan 0.000 0.434 605 I N 1.861 122.306 120.570 -0.208 0.000 2.498 605 I HA 0.838 5.000 4.170 -0.014 0.000 0.290 605 I C 0.085 175.869 176.117 -0.555 0.000 1.032 605 I CA -0.646 60.498 61.300 -0.259 0.000 1.073 605 I CB 2.292 40.229 38.000 -0.106 0.000 1.251 605 I HN 0.816 nan 8.210 nan 0.000 0.426 606 G N 2.922 111.362 108.800 -0.599 0.000 2.690 606 G HA2 0.837 4.789 3.960 -0.014 0.000 0.293 606 G HA3 0.837 4.789 3.960 -0.014 0.000 0.293 606 G C -1.001 173.600 174.900 -0.499 0.000 1.399 606 G CA -0.740 43.861 45.100 -0.832 0.000 0.890 606 G HN 1.001 nan 8.290 nan 0.000 0.485 607 G N -0.443 108.211 108.800 -0.243 0.000 2.337 607 G HA2 0.400 4.351 3.960 -0.014 0.000 0.310 607 G HA3 0.400 4.351 3.960 -0.014 0.000 0.310 607 G C -1.315 173.711 174.900 0.210 0.000 1.534 607 G CA -1.042 44.090 45.100 0.055 0.000 0.982 607 G HN 0.604 nan 8.290 nan 0.000 0.672 608 K N -0.064 120.457 120.400 0.202 0.000 2.110 608 K HA 0.737 5.048 4.320 -0.014 0.000 0.263 608 K C 0.303 177.026 176.600 0.204 0.000 0.975 608 K CA -0.165 56.258 56.287 0.227 0.000 0.895 608 K CB 2.014 34.554 32.500 0.066 0.000 1.060 608 K HN 0.870 nan 8.250 nan 0.000 0.448 609 A N 1.576 124.545 122.820 0.249 0.000 2.305 609 A HA 0.610 4.922 4.320 -0.014 0.000 0.322 609 A C -0.327 177.418 177.584 0.268 0.000 1.187 609 A CA -0.702 51.422 52.037 0.145 0.000 0.825 609 A CB 0.879 19.894 19.000 0.025 0.000 1.164 609 A HN 0.792 nan 8.150 nan 0.000 0.498 610 A N 3.691 126.644 122.820 0.221 0.000 2.540 610 A HA 0.430 4.742 4.320 -0.014 0.000 0.239 610 A C -1.377 176.283 177.584 0.127 0.000 1.061 610 A CA -0.638 51.534 52.037 0.225 0.000 0.758 610 A CB -0.373 18.729 19.000 0.170 0.000 0.991 610 A HN 0.605 nan 8.150 nan 0.000 0.502 611 P HA -0.125 nan 4.420 nan 0.000 0.217 611 P C 1.317 178.609 177.300 -0.014 0.000 1.148 611 P CA 1.941 64.981 63.100 -0.100 0.000 0.828 611 P CB 0.199 31.781 31.700 -0.197 0.000 0.783 612 G N -2.940 105.879 108.800 0.031 0.000 3.088 612 G HA2 -0.086 3.866 3.960 -0.014 0.000 0.217 612 G HA3 -0.086 3.866 3.960 -0.014 0.000 0.217 612 G C -0.158 174.794 174.900 0.088 0.000 1.159 612 G CA -0.131 44.996 45.100 0.044 0.000 0.760 612 G HN 0.307 nan 8.290 nan 0.000 0.550 613 Y N 1.756 122.013 120.300 -0.072 0.000 2.636 613 Y HA 0.174 4.715 4.550 -0.014 0.000 0.341 613 Y C 1.654 177.547 175.900 -0.012 0.000 1.169 613 Y CA -1.023 57.018 58.100 -0.099 0.000 1.498 613 Y CB 0.079 38.441 38.460 -0.164 0.000 1.362 613 Y HN 0.304 nan 8.280 nan 0.000 0.494 614 H N 4.073 123.263 119.070 0.200 0.000 2.319 614 H HA -0.231 4.317 4.556 -0.014 0.000 0.299 614 H C 1.809 177.158 175.328 0.035 0.000 1.092 614 H CA 2.337 58.441 56.048 0.094 0.000 1.302 614 H CB 0.369 30.182 29.762 0.085 0.000 1.373 614 H HN 0.723 nan 8.280 nan 0.000 0.497 615 M N 0.999 120.571 119.600 -0.047 0.000 2.117 615 M HA -0.080 4.391 4.480 -0.014 0.000 0.262 615 M C 2.557 178.611 176.300 -0.411 0.000 1.065 615 M CA 1.858 57.041 55.300 -0.195 0.000 1.114 615 M CB -0.682 31.931 32.600 0.022 0.000 1.361 615 M HN 0.339 nan 8.290 nan 0.000 0.408 616 A N -0.460 121.878 122.820 -0.802 0.000 1.933 616 A HA -0.189 4.123 4.320 -0.014 0.000 0.218 616 A C 2.188 179.568 177.584 -0.340 0.000 1.175 616 A CA 1.834 53.446 52.037 -0.709 0.000 0.628 616 A CB -0.651 17.717 19.000 -1.053 0.000 0.814 616 A HN 0.587 nan 8.150 nan 0.000 0.444 617 K N -1.121 119.131 120.400 -0.246 0.000 2.148 617 K HA -0.043 4.268 4.320 -0.014 0.000 0.204 617 K C 1.919 178.474 176.600 -0.076 0.000 1.050 617 K CA 1.226 57.459 56.287 -0.090 0.000 0.942 617 K CB -0.204 32.304 32.500 0.014 0.000 0.724 617 K HN 0.347 nan 8.250 nan 0.000 0.446 618 M N 0.508 120.011 119.600 -0.161 0.000 2.175 618 M HA -0.079 4.393 4.480 -0.014 0.000 0.264 618 M C 2.111 178.342 176.300 -0.116 0.000 1.063 618 M CA 1.390 56.633 55.300 -0.095 0.000 1.119 618 M CB -0.617 31.910 32.600 -0.122 0.000 1.377 618 M HN 0.124 nan 8.290 nan 0.000 0.415 619 I N -0.084 120.380 120.570 -0.176 0.000 2.226 619 I HA -0.307 3.854 4.170 -0.014 0.000 0.245 619 I C 2.291 178.277 176.117 -0.219 0.000 1.100 619 I CA 1.101 62.287 61.300 -0.189 0.000 1.374 619 I CB -0.326 37.563 38.000 -0.184 0.000 1.057 619 I HN 0.171 nan 8.210 nan 0.000 0.413 620 I N 0.664 121.087 120.570 -0.245 0.000 2.163 620 I HA -0.319 3.842 4.170 -0.014 0.000 0.243 620 I C 2.611 178.438 176.117 -0.482 0.000 1.085 620 I CA 1.323 62.381 61.300 -0.404 0.000 1.347 620 I CB -0.336 37.402 38.000 -0.436 0.000 1.044 620 I HN 0.158 nan 8.210 nan 0.000 0.408 621 K N 1.506 121.635 120.400 -0.452 0.000 2.057 621 K HA -0.162 4.150 4.320 -0.014 0.000 0.207 621 K C 2.045 178.475 176.600 -0.283 0.000 1.049 621 K CA 1.515 57.456 56.287 -0.576 0.000 0.931 621 K CB -0.586 31.281 32.500 -1.056 0.000 0.714 621 K HN 0.236 nan 8.250 nan 0.000 0.440 622 L N 0.383 121.465 121.223 -0.234 0.000 2.012 622 L HA -0.190 4.142 4.340 -0.014 0.000 0.210 622 L C 2.204 178.837 176.870 -0.396 0.000 1.073 622 L CA 1.794 56.330 54.840 -0.507 0.000 0.748 622 L CB -0.313 41.361 42.059 -0.642 0.000 0.891 622 L HN 0.278 nan 8.230 nan 0.000 0.431 623 I N -0.204 120.186 120.570 -0.300 0.000 2.163 623 I HA -0.344 3.818 4.170 -0.014 0.000 0.243 623 I C 2.634 178.645 176.117 -0.176 0.000 1.085 623 I CA 1.981 63.161 61.300 -0.201 0.000 1.347 623 I CB -0.614 37.352 38.000 -0.057 0.000 1.044 623 I HN 0.429 nan 8.210 nan 0.000 0.408 624 T N -0.829 113.590 114.554 -0.226 0.000 2.821 624 T HA -0.079 4.263 4.350 -0.014 0.000 0.267 624 T C 1.969 176.598 174.700 -0.118 0.000 1.046 624 T CA 0.956 62.952 62.100 -0.173 0.000 1.139 624 T CB -0.492 68.225 68.868 -0.252 0.000 0.871 624 T HN 0.347 nan 8.240 nan 0.000 0.454 625 A N 1.434 124.182 122.820 -0.121 0.000 1.930 625 A HA 0.162 4.474 4.320 -0.014 0.000 0.217 625 A C 2.365 179.959 177.584 0.018 0.000 1.175 625 A CA 1.189 53.222 52.037 -0.006 0.000 0.627 625 A CB -0.784 18.310 19.000 0.156 0.000 0.815 625 A HN 0.584 nan 8.150 nan 0.000 0.443 626 I N -0.273 120.207 120.570 -0.149 0.000 2.179 626 I HA -0.197 3.964 4.170 -0.014 0.000 0.242 626 I C 2.747 178.823 176.117 -0.069 0.000 1.088 626 I CA 1.166 62.359 61.300 -0.178 0.000 1.357 626 I CB -0.684 37.090 38.000 -0.377 0.000 1.051 626 I HN 0.382 nan 8.210 nan 0.000 0.409 627 G N 0.510 109.262 108.800 -0.080 0.000 2.469 627 G HA2 -0.284 3.667 3.960 -0.014 0.000 0.219 627 G HA3 -0.284 3.667 3.960 -0.014 0.000 0.219 627 G C 1.269 176.162 174.900 -0.011 0.000 1.150 627 G CA 1.156 46.221 45.100 -0.058 0.000 0.763 627 G HN 0.291 nan 8.290 nan 0.000 0.561 628 D N -0.007 120.418 120.400 0.042 0.000 2.149 628 D HA -0.093 4.539 4.640 -0.014 0.000 0.198 628 D C 2.710 179.112 176.300 0.169 0.000 0.990 628 D CA 0.804 54.890 54.000 0.143 0.000 0.839 628 D CB -0.279 40.559 40.800 0.063 0.000 0.948 628 D HN 0.252 nan 8.370 nan 0.000 0.460 629 V N 0.195 120.137 119.914 0.046 0.000 2.302 629 V HA -0.142 3.970 4.120 -0.014 0.000 0.243 629 V C 2.603 178.644 176.094 -0.089 0.000 1.036 629 V CA 0.787 63.055 62.300 -0.054 0.000 1.020 629 V CB -0.259 31.471 31.823 -0.154 0.000 0.657 629 V HN 0.032 nan 8.190 nan 0.000 0.453 630 V N 0.914 120.729 119.914 -0.165 0.000 2.358 630 V HA -0.201 3.911 4.120 -0.014 0.000 0.246 630 V C 2.155 178.212 176.094 -0.061 0.000 1.047 630 V CA 2.024 64.221 62.300 -0.173 0.000 1.035 630 V CB -0.843 30.877 31.823 -0.172 0.000 0.658 630 V HN 0.567 nan 8.190 nan 0.000 0.452 631 N N -0.374 118.242 118.700 -0.140 0.000 2.512 631 N HA -0.084 4.647 4.740 -0.014 0.000 0.183 631 N C 1.253 176.518 175.510 -0.408 0.000 1.073 631 N CA 0.925 53.803 53.050 -0.286 0.000 0.911 631 N CB -0.255 37.988 38.487 -0.406 0.000 0.964 631 N HN 0.685 nan 8.380 nan 0.000 0.447 632 H N -1.511 117.567 119.070 0.012 0.000 2.784 632 H HA 0.204 4.751 4.556 -0.014 0.000 0.273 632 H C -0.467 174.880 175.328 0.031 0.000 1.112 632 H CA -0.476 55.582 56.048 0.016 0.000 1.162 632 H CB 0.637 30.398 29.762 -0.002 0.000 1.586 632 H HN -0.023 nan 8.280 nan 0.000 0.548 633 D N 1.774 122.252 120.400 0.131 0.000 2.325 633 D HA 0.034 4.666 4.640 -0.014 0.000 0.251 633 D C -1.623 174.737 176.300 0.101 0.000 1.196 633 D CA -2.004 52.083 54.000 0.146 0.000 0.866 633 D CB 1.646 42.606 40.800 0.268 0.000 1.101 633 D HN 0.121 nan 8.370 nan 0.000 0.476 634 P HA -0.092 nan 4.420 nan 0.000 0.221 634 P C 1.547 178.870 177.300 0.037 0.000 1.150 634 P CA 0.288 63.418 63.100 0.049 0.000 0.800 634 P CB 0.441 32.165 31.700 0.041 0.000 0.787 635 V N -0.560 119.378 119.914 0.039 0.000 2.515 635 V HA -0.164 3.948 4.120 -0.014 0.000 0.250 635 V C 2.437 178.537 176.094 0.010 0.000 1.058 635 V CA 1.477 63.786 62.300 0.016 0.000 1.064 635 V CB -1.016 30.806 31.823 -0.002 0.000 0.675 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.185 119.753 119.914 0.039 0.000 2.358 636 V HA 0.100 4.211 4.120 -0.014 0.000 0.246 636 V C 1.739 177.843 176.094 0.016 0.000 1.047 636 V CA 1.580 63.903 62.300 0.038 0.000 1.035 636 V CB -1.246 30.645 31.823 0.115 0.000 0.658 636 V HN 0.750 nan 8.190 nan 0.000 0.452 637 G N 1.489 110.302 108.800 0.021 0.000 2.547 637 G HA2 -0.341 3.611 3.960 -0.014 0.000 0.271 637 G HA3 -0.341 3.611 3.960 -0.014 0.000 0.271 637 G C 0.151 175.054 174.900 0.004 0.000 1.209 637 G CA 0.356 45.463 45.100 0.011 0.000 0.959 637 G HN 0.696 nan 8.290 nan 0.000 0.563 638 D N 0.253 120.655 120.400 0.003 0.000 2.460 638 D HA 0.197 4.829 4.640 -0.014 0.000 0.229 638 D C 1.724 178.020 176.300 -0.007 0.000 1.170 638 D CA 0.011 54.013 54.000 0.003 0.000 0.827 638 D CB -0.074 40.735 40.800 0.016 0.000 0.973 638 D HN 0.600 nan 8.370 nan 0.000 0.496 639 R N -0.764 119.722 120.500 -0.023 0.000 2.161 639 R HA 0.213 4.544 4.340 -0.014 0.000 0.213 639 R C -0.014 176.247 176.300 -0.064 0.000 1.055 639 R CA 0.210 56.274 56.100 -0.060 0.000 0.996 639 R CB 0.323 30.571 30.300 -0.086 0.000 0.901 639 R HN 0.134 nan 8.270 nan 0.000 0.456 640 L N 0.719 121.921 121.223 -0.035 0.000 2.505 640 L HA 0.397 4.728 4.340 -0.014 0.000 0.266 640 L C -1.530 175.322 176.870 -0.031 0.000 0.954 640 L CA -0.482 54.337 54.840 -0.035 0.000 0.852 640 L CB 1.809 43.860 42.059 -0.013 0.000 1.282 640 L HN -0.174 nan 8.230 nan 0.000 0.403 641 R N 3.875 124.344 120.500 -0.051 0.000 2.628 641 R HA 0.776 5.107 4.340 -0.014 0.000 0.288 641 R C -1.672 174.579 176.300 -0.081 0.000 0.980 641 R CA -0.793 55.267 56.100 -0.066 0.000 0.891 641 R CB 2.448 32.710 30.300 -0.064 0.000 1.188 641 R HN 0.422 nan 8.270 nan 0.000 0.450 642 V N 4.836 124.699 119.914 -0.085 0.000 2.407 642 V HA 0.496 4.608 4.120 -0.014 0.000 0.291 642 V C -0.354 175.698 176.094 -0.070 0.000 1.018 642 V CA -0.720 61.531 62.300 -0.082 0.000 0.842 642 V CB 1.662 33.435 31.823 -0.083 0.000 0.996 642 V HN 0.545 nan 8.190 nan 0.000 0.426 643 I N 4.846 125.373 120.570 -0.072 0.000 2.465 643 I HA 0.436 4.598 4.170 -0.014 0.000 0.291 643 I C -0.667 175.434 176.117 -0.027 0.000 1.014 643 I CA -0.326 60.940 61.300 -0.057 0.000 1.093 643 I CB 1.946 39.886 38.000 -0.099 0.000 1.267 643 I HN 0.550 nan 8.210 nan 0.000 0.431 644 F N 7.045 126.924 119.950 -0.117 0.000 2.404 644 F HA 0.450 4.969 4.527 -0.014 0.000 0.358 644 F C -0.434 175.295 175.800 -0.119 0.000 1.120 644 F CA -0.634 57.299 58.000 -0.111 0.000 1.144 644 F CB 0.610 39.548 39.000 -0.104 0.000 1.133 644 F HN 0.178 nan 8.300 nan 0.000 0.495 645 L N 6.229 127.079 121.223 -0.622 0.000 2.433 645 L HA 0.134 4.465 4.340 -0.014 0.000 0.284 645 L C 0.325 176.943 176.870 -0.419 0.000 1.120 645 L CA 0.187 54.776 54.840 -0.417 0.000 0.879 645 L CB -0.020 41.874 42.059 -0.274 0.000 1.232 645 L HN 0.604 nan 8.230 nan 0.000 0.454 646 E N 3.443 123.527 120.200 -0.192 0.000 2.373 646 E HA -0.029 4.313 4.350 -0.014 0.000 0.267 646 E C 0.500 177.153 176.600 0.088 0.000 1.032 646 E CA -0.241 56.183 56.400 0.041 0.000 0.889 646 E CB 0.325 30.040 29.700 0.025 0.000 0.984 646 E HN 0.538 nan 8.360 nan 0.000 0.425 647 N N 2.517 121.326 118.700 0.182 0.000 2.738 647 N HA -0.280 4.452 4.740 -0.014 0.000 0.249 647 N C -1.537 174.062 175.510 0.148 0.000 1.047 647 N CA 0.560 53.713 53.050 0.172 0.000 0.707 647 N CB -1.668 36.934 38.487 0.193 0.000 0.937 647 N HN 0.502 nan 8.380 nan 0.000 0.545 648 Y N 1.549 121.855 120.300 0.010 0.000 2.717 648 Y HA 0.170 4.712 4.550 -0.014 0.000 0.330 648 Y C 1.151 177.068 175.900 0.028 0.000 1.217 648 Y CA 0.783 58.880 58.100 -0.006 0.000 1.506 648 Y CB 0.321 38.745 38.460 -0.060 0.000 1.268 648 Y HN 0.383 nan 8.280 nan 0.000 0.561 649 R N 2.360 122.485 120.500 -0.625 0.000 2.756 649 R HA 0.395 4.727 4.340 -0.014 0.000 0.273 649 R C -0.666 175.309 176.300 -0.541 0.000 1.030 649 R CA -0.562 55.284 56.100 -0.423 0.000 0.887 649 R CB 0.243 30.482 30.300 -0.102 0.000 1.274 649 R HN 0.360 nan 8.270 nan 0.000 0.461 650 V N 1.105 120.754 119.914 -0.441 0.000 2.287 650 V HA -0.287 3.824 4.120 -0.014 0.000 0.248 650 V C 2.605 178.580 176.094 -0.199 0.000 1.053 650 V CA 2.839 64.932 62.300 -0.345 0.000 1.027 650 V CB -0.805 30.791 31.823 -0.378 0.000 0.646 650 V HN 0.917 nan 8.190 nan 0.000 0.447 651 S N 0.043 115.645 115.700 -0.163 0.000 2.399 651 S HA -0.186 4.276 4.470 -0.014 0.000 0.231 651 S C 1.941 176.489 174.600 -0.086 0.000 1.022 651 S CA 1.691 59.819 58.200 -0.119 0.000 0.983 651 S CB -0.530 62.626 63.200 -0.074 0.000 0.803 651 S HN 0.386 nan 8.310 nan 0.000 0.480 652 L N 2.046 123.229 121.223 -0.067 0.000 2.109 652 L HA 0.300 4.632 4.340 -0.014 0.000 0.207 652 L C 2.728 179.624 176.870 0.043 0.000 1.086 652 L CA 1.451 56.304 54.840 0.021 0.000 0.760 652 L CB -1.372 40.757 42.059 0.118 0.000 0.910 652 L HN 0.357 nan 8.230 nan 0.000 0.437 653 A N -0.637 122.179 122.820 -0.007 0.000 1.908 653 A HA -0.262 4.049 4.320 -0.014 0.000 0.218 653 A C 2.132 179.784 177.584 0.114 0.000 1.181 653 A CA 1.975 54.087 52.037 0.124 0.000 0.627 653 A CB -0.663 18.396 19.000 0.099 0.000 0.818 653 A HN 0.611 nan 8.150 nan 0.000 0.445 654 E N -0.550 119.693 120.200 0.072 0.000 2.265 654 E HA -0.153 4.189 4.350 -0.014 0.000 0.196 654 E C 1.878 178.448 176.600 -0.051 0.000 0.996 654 E CA 1.148 57.545 56.400 -0.005 0.000 0.832 654 E CB -0.044 29.558 29.700 -0.164 0.000 0.756 654 E HN 0.632 nan 8.360 nan 0.000 0.491 655 K N -0.022 120.337 120.400 -0.068 0.000 2.141 655 K HA 0.033 4.345 4.320 -0.014 0.000 0.202 655 K C 2.126 178.578 176.600 -0.247 0.000 1.045 655 K CA 0.389 56.629 56.287 -0.079 0.000 0.971 655 K CB 0.103 32.566 32.500 -0.062 0.000 0.795 655 K HN -0.047 nan 8.250 nan 0.000 0.459 656 V N 1.762 121.453 119.914 -0.373 0.000 2.535 656 V HA -0.106 4.005 4.120 -0.014 0.000 0.246 656 V C 1.876 177.733 176.094 -0.394 0.000 1.045 656 V CA 1.134 62.986 62.300 -0.747 0.000 1.058 656 V CB -0.123 31.364 31.823 -0.560 0.000 0.689 656 V HN 0.222 nan 8.190 nan 0.000 0.461 657 I N 0.788 121.177 120.570 -0.301 0.000 2.179 657 I HA -0.131 4.030 4.170 -0.014 0.000 0.242 657 I C -0.236 175.754 176.117 -0.213 0.000 1.088 657 I CA 1.621 62.662 61.300 -0.432 0.000 1.357 657 I CB -1.537 36.062 38.000 -0.669 0.000 1.051 657 I HN 0.363 nan 8.210 nan 0.000 0.409 658 P HA -0.139 nan 4.420 nan 0.000 0.221 658 P C 1.029 178.322 177.300 -0.011 0.000 1.145 658 P CA 1.358 64.431 63.100 -0.045 0.000 0.795 658 P CB 0.003 31.687 31.700 -0.026 0.000 0.775 659 A N -1.203 121.595 122.820 -0.038 0.000 2.218 659 A HA 0.442 4.754 4.320 -0.014 0.000 0.209 659 A C 1.195 178.881 177.584 0.169 0.000 1.168 659 A CA 0.182 52.254 52.037 0.058 0.000 0.804 659 A CB -0.699 18.336 19.000 0.058 0.000 0.834 659 A HN 0.206 nan 8.150 nan 0.000 0.482 660 A N -0.094 122.819 122.820 0.155 0.000 2.354 660 A HA 0.478 4.790 4.320 -0.014 0.000 0.269 660 A C 0.343 178.074 177.584 0.245 0.000 1.109 660 A CA -0.222 51.971 52.037 0.261 0.000 0.800 660 A CB 0.365 19.608 19.000 0.405 0.000 1.045 660 A HN 0.265 nan 8.150 nan 0.000 0.489 661 D N 0.544 121.089 120.400 0.242 0.000 2.323 661 D HA 0.114 4.745 4.640 -0.014 0.000 0.218 661 D C 0.038 176.553 176.300 0.359 0.000 0.973 661 D CA 0.806 54.998 54.000 0.321 0.000 0.890 661 D CB 0.301 41.198 40.800 0.162 0.000 1.011 661 D HN 0.361 nan 8.370 nan 0.000 0.499 662 L N 1.068 122.389 121.223 0.162 0.000 2.376 662 L HA 0.283 4.614 4.340 -0.014 0.000 0.275 662 L C -0.860 175.911 176.870 -0.164 0.000 0.987 662 L CA -0.294 54.567 54.840 0.034 0.000 0.828 662 L CB 2.107 44.153 42.059 -0.022 0.000 1.249 662 L HN -0.190 nan 8.230 nan 0.000 0.409 663 S N 4.280 119.800 115.700 -0.300 0.000 2.429 663 S HA 0.327 4.788 4.470 -0.014 0.000 0.302 663 S C -0.378 173.957 174.600 -0.442 0.000 1.115 663 S CA -0.661 57.125 58.200 -0.690 0.000 1.095 663 S CB 0.637 63.370 63.200 -0.778 0.000 0.987 663 S HN 0.551 nan 8.310 nan 0.000 0.474 664 E N 4.151 124.094 120.200 -0.427 0.000 2.089 664 E HA 0.202 4.543 4.350 -0.014 0.000 0.284 664 E C -0.537 175.942 176.600 -0.201 0.000 1.023 664 E CA -0.390 55.880 56.400 -0.217 0.000 0.819 664 E CB 0.955 30.558 29.700 -0.161 0.000 1.076 664 E HN 0.602 nan 8.360 nan 0.000 0.396 665 Q N 2.838 122.577 119.800 -0.103 0.000 2.907 665 Q HA 0.272 4.603 4.340 -0.014 0.000 0.262 665 Q C 0.592 176.566 176.000 -0.044 0.000 0.997 665 Q CA -0.128 55.624 55.803 -0.085 0.000 0.797 665 Q CB 0.247 28.947 28.738 -0.064 0.000 1.228 665 Q HN 0.617 nan 8.270 nan 0.000 0.466 666 I N -1.803 118.725 120.570 -0.070 0.000 3.569 666 I HA 0.275 4.436 4.170 -0.014 0.000 0.334 666 I C 0.385 176.436 176.117 -0.109 0.000 1.570 666 I CA -0.687 60.581 61.300 -0.054 0.000 1.082 666 I CB 0.564 38.536 38.000 -0.045 0.000 1.323 666 I HN 0.005 nan 8.210 nan 0.000 0.489 667 S N 0.453 116.086 115.700 -0.111 0.000 2.573 667 S HA 0.185 4.647 4.470 -0.014 0.000 0.277 667 S C 0.583 175.153 174.600 -0.051 0.000 1.346 667 S CA -0.245 57.905 58.200 -0.082 0.000 1.034 667 S CB 0.277 63.467 63.200 -0.018 0.000 0.879 667 S HN 0.384 nan 8.310 nan 0.000 0.528 668 T N 2.791 117.350 114.554 0.008 0.000 2.908 668 T HA 0.362 4.704 4.350 -0.014 0.000 0.301 668 T C 0.769 175.477 174.700 0.014 0.000 1.019 668 T CA 0.268 62.386 62.100 0.030 0.000 1.152 668 T CB -0.080 68.880 68.868 0.153 0.000 0.966 668 T HN 1.023 nan 8.240 nan 0.000 0.540 669 A N 2.746 125.544 122.820 -0.037 0.000 2.567 669 A HA 0.450 4.761 4.320 -0.014 0.000 0.240 669 A C 1.646 179.224 177.584 -0.009 0.000 1.053 669 A CA 0.272 52.284 52.037 -0.041 0.000 0.755 669 A CB -0.890 18.072 19.000 -0.062 0.000 0.978 669 A HN 1.775 nan 8.150 nan 0.000 0.507 670 G N 1.383 110.178 108.800 -0.009 0.000 2.175 670 G HA2 -0.236 3.716 3.960 -0.014 0.000 0.244 670 G HA3 -0.236 3.716 3.960 -0.014 0.000 0.244 670 G C 0.817 175.715 174.900 -0.004 0.000 0.982 670 G CA 1.171 46.270 45.100 -0.003 0.000 0.641 670 G HN 2.012 nan 8.290 nan 0.000 0.527 671 T N -2.690 111.865 114.554 0.000 0.000 3.026 671 T HA 0.407 4.748 4.350 -0.014 0.000 0.245 671 T C 0.743 175.344 174.700 -0.165 0.000 1.004 671 T CA 1.031 63.087 62.100 -0.073 0.000 1.069 671 T CB 0.540 69.424 68.868 0.025 0.000 1.005 671 T HN 0.279 nan 8.240 nan 0.000 0.472 672 E N 1.581 121.792 120.200 0.019 0.000 2.001 672 E HA 0.666 5.008 4.350 -0.014 0.000 0.279 672 E C 1.169 177.733 176.600 -0.061 0.000 1.045 672 E CA 0.075 56.517 56.400 0.069 0.000 0.833 672 E CB 0.765 30.542 29.700 0.127 0.000 1.077 672 E HN 0.363 nan 8.360 nan 0.000 0.397 673 A N 3.419 126.130 122.820 -0.182 0.000 1.884 673 A HA -0.229 4.083 4.320 -0.014 0.000 0.219 673 A C 2.006 179.468 177.584 -0.203 0.000 1.197 673 A CA 2.304 54.105 52.037 -0.393 0.000 0.637 673 A CB -0.324 18.183 19.000 -0.821 0.000 0.827 673 A HN 0.602 nan 8.150 nan 0.000 0.450 674 S N -3.822 111.810 115.700 -0.114 0.000 3.792 674 S HA 0.454 4.915 4.470 -0.014 0.000 0.229 674 S C 0.739 175.322 174.600 -0.029 0.000 1.118 674 S CA 1.447 59.622 58.200 -0.041 0.000 0.877 674 S CB -0.112 63.084 63.200 -0.007 0.000 1.077 674 S HN 2.272 nan 8.310 nan 0.000 0.546 675 G N 0.400 109.190 108.800 -0.017 0.000 2.722 675 G HA2 -0.091 3.861 3.960 -0.014 0.000 0.686 675 G HA3 -0.091 3.861 3.960 -0.014 0.000 0.686 675 G C 0.267 175.146 174.900 -0.034 0.000 1.282 675 G CA 0.456 45.544 45.100 -0.020 0.000 0.817 675 G HN 1.268 nan 8.290 nan 0.000 0.605 676 T N -1.712 112.812 114.554 -0.051 0.000 3.010 676 T HA 0.382 4.724 4.350 -0.014 0.000 0.253 676 T C 2.433 177.040 174.700 -0.154 0.000 0.939 676 T CA 1.259 63.301 62.100 -0.096 0.000 0.910 676 T CB 0.244 69.050 68.868 -0.104 0.000 1.226 676 T HN 1.898 nan 8.240 nan 0.000 0.508 677 G N 3.269 112.007 108.800 -0.104 0.000 2.469 677 G HA2 -0.322 3.629 3.960 -0.014 0.000 0.219 677 G HA3 -0.322 3.629 3.960 -0.014 0.000 0.219 677 G C 1.478 176.447 174.900 0.114 0.000 1.150 677 G CA 1.304 46.379 45.100 -0.043 0.000 0.763 677 G HN 0.837 nan 8.290 nan 0.000 0.561 678 N N -0.042 118.688 118.700 0.049 0.000 2.091 678 N HA -0.129 4.602 4.740 -0.014 0.000 0.193 678 N C 1.450 176.963 175.510 0.006 0.000 1.021 678 N CA 0.756 53.827 53.050 0.036 0.000 0.862 678 N CB -0.361 38.100 38.487 -0.043 0.000 1.018 678 N HN 0.351 nan 8.380 nan 0.000 0.429 682 M N 0.284 119.966 119.600 0.137 0.000 2.117 682 M HA -0.141 4.331 4.480 -0.014 0.000 0.262 682 M C 1.978 178.330 176.300 0.086 0.000 1.065 682 M CA 1.806 57.159 55.300 0.089 0.000 1.114 682 M CB -0.056 32.592 32.600 0.080 0.000 1.361 682 M HN 0.316 nan 8.290 nan 0.000 0.408 683 L N 0.786 122.057 121.223 0.080 0.000 2.201 683 L HA -0.093 4.238 4.340 -0.014 0.000 0.212 683 L C 1.361 178.272 176.870 0.069 0.000 1.105 683 L CA 1.621 56.514 54.840 0.088 0.000 0.775 683 L CB -0.588 41.532 42.059 0.102 0.000 0.913 683 L HN 0.358 nan 8.230 nan 0.000 0.440 684 N N -0.396 118.334 118.700 0.050 0.000 2.235 684 N HA 0.167 4.899 4.740 -0.014 0.000 0.209 684 N C 0.841 176.382 175.510 0.052 0.000 1.122 684 N CA 0.789 53.862 53.050 0.038 0.000 0.845 684 N CB 0.614 39.099 38.487 -0.004 0.000 1.004 684 N HN 0.389 nan 8.380 nan 0.000 0.499 685 G N 0.621 109.458 108.800 0.062 0.000 2.142 685 G HA2 -0.197 3.754 3.960 -0.014 0.000 0.225 685 G HA3 -0.197 3.754 3.960 -0.014 0.000 0.225 685 G C -0.010 174.955 174.900 0.108 0.000 1.015 685 G CA 0.131 45.269 45.100 0.062 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.272 122.624 122.820 0.127 0.000 2.312 686 A HA 0.875 5.186 4.320 -0.014 0.000 0.328 686 A C 0.473 178.064 177.584 0.012 0.000 1.158 686 A CA -0.611 51.519 52.037 0.156 0.000 0.821 686 A CB 0.953 20.109 19.000 0.259 0.000 1.170 686 A HN 0.721 nan 8.150 nan 0.000 0.490 687 L N 0.828 122.020 121.223 -0.051 0.000 2.421 687 L HA 0.423 4.755 4.340 -0.014 0.000 0.263 687 L C 0.194 176.947 176.870 -0.196 0.000 1.122 687 L CA -0.299 54.414 54.840 -0.212 0.000 0.804 687 L CB 1.396 43.248 42.059 -0.346 0.000 1.150 687 L HN 0.680 nan 8.230 nan 0.000 0.457 688 T N 2.807 117.124 114.554 -0.395 0.000 2.779 688 T HA 0.443 4.784 4.350 -0.014 0.000 0.280 688 T C -0.361 174.222 174.700 -0.195 0.000 0.987 688 T CA -0.252 61.594 62.100 -0.424 0.000 0.966 688 T CB 1.404 69.822 68.868 -0.749 0.000 0.933 688 T HN 0.340 nan 8.240 nan 0.000 0.442 689 I N 3.185 123.730 120.570 -0.042 0.000 2.321 689 I HA 0.695 4.857 4.170 -0.014 0.000 0.291 689 I C 0.172 176.436 176.117 0.246 0.000 0.998 689 I CA 0.167 61.558 61.300 0.153 0.000 1.227 689 I CB 0.280 38.309 38.000 0.048 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 3.963 112.984 108.800 0.369 0.000 2.646 690 G HA2 0.443 4.395 3.960 -0.014 0.000 0.291 690 G HA3 0.443 4.395 3.960 -0.014 0.000 0.291 690 G C -0.893 173.934 174.900 -0.122 0.000 1.445 690 G CA -0.452 44.760 45.100 0.187 0.000 0.814 690 G HN 0.582 nan 8.290 nan 0.000 0.495 691 T N -1.114 113.231 114.554 -0.348 0.000 2.849 691 T HA 0.487 4.829 4.350 -0.014 0.000 0.284 691 T C 0.793 175.372 174.700 -0.201 0.000 1.004 691 T CA -0.672 61.154 62.100 -0.458 0.000 1.021 691 T CB 1.088 69.699 68.868 -0.428 0.000 1.013 691 T HN 0.265 nan 8.240 nan 0.000 0.527 692 M N 2.925 122.418 119.600 -0.178 0.000 3.442 692 M HA 0.306 4.778 4.480 -0.014 0.000 0.232 692 M C -0.420 175.824 176.300 -0.093 0.000 1.508 692 M CA 0.006 55.237 55.300 -0.115 0.000 1.647 692 M CB -1.806 30.736 32.600 -0.097 0.000 1.126 692 M HN 0.731 nan 8.290 nan 0.000 0.557 693 D N -0.018 120.332 120.400 -0.083 0.000 2.671 693 D HA 0.670 5.302 4.640 -0.014 0.000 0.232 693 D C 0.704 176.978 176.300 -0.043 0.000 1.114 693 D CA 0.729 54.695 54.000 -0.057 0.000 0.858 693 D CB 1.732 42.499 40.800 -0.055 0.000 1.544 693 D HN 0.602 nan 8.370 nan 0.000 0.471 694 G N 1.854 110.639 108.800 -0.026 0.000 2.614 694 G HA2 -0.258 3.694 3.960 -0.014 0.000 0.303 694 G HA3 -0.258 3.694 3.960 -0.014 0.000 0.303 694 G C 1.029 175.917 174.900 -0.021 0.000 1.270 694 G CA 1.107 46.195 45.100 -0.020 0.000 0.988 694 G HN 1.063 nan 8.290 nan 0.000 0.551 695 A N -0.287 122.514 122.820 -0.032 0.000 2.167 695 A HA 0.119 4.431 4.320 -0.014 0.000 0.214 695 A C 2.101 179.613 177.584 -0.121 0.000 1.151 695 A CA 1.771 53.781 52.037 -0.045 0.000 0.735 695 A CB -0.440 18.520 19.000 -0.067 0.000 0.802 695 A HN 0.624 nan 8.150 nan 0.000 0.467 696 N N 0.625 119.263 118.700 -0.103 0.000 2.094 696 N HA -0.165 4.567 4.740 -0.014 0.000 0.191 696 N C 1.607 176.984 175.510 -0.222 0.000 1.023 696 N CA 1.650 54.631 53.050 -0.115 0.000 0.857 696 N CB -0.658 37.810 38.487 -0.031 0.000 1.013 696 N HN 0.290 nan 8.380 nan 0.000 0.426 697 V N 1.294 121.122 119.914 -0.142 0.000 2.287 697 V HA -0.226 3.886 4.120 -0.014 0.000 0.248 697 V C 1.996 178.013 176.094 -0.128 0.000 1.053 697 V CA 1.751 63.969 62.300 -0.137 0.000 1.027 697 V CB -0.515 31.264 31.823 -0.074 0.000 0.646 697 V HN 0.361 nan 8.190 nan 0.000 0.447 698 E N -0.624 119.555 120.200 -0.035 0.000 2.152 698 E HA -0.145 4.196 4.350 -0.014 0.000 0.192 698 E C 2.210 178.915 176.600 0.176 0.000 0.983 698 E CA 1.080 57.537 56.400 0.094 0.000 0.818 698 E CB -0.204 29.638 29.700 0.235 0.000 0.758 698 E HN 0.536 nan 8.360 nan 0.000 0.467 699 M N 0.553 120.148 119.600 -0.009 0.000 2.086 699 M HA -0.171 4.301 4.480 -0.014 0.000 0.261 699 M C 2.490 178.567 176.300 -0.372 0.000 1.067 699 M CA 1.649 56.872 55.300 -0.128 0.000 1.116 699 M CB -0.217 32.198 32.600 -0.309 0.000 1.348 699 M HN 0.149 nan 8.290 nan 0.000 0.407 700 A N -0.221 122.098 122.820 -0.834 0.000 1.933 700 A HA -0.217 4.095 4.320 -0.014 0.000 0.218 700 A C 1.996 179.392 177.584 -0.314 0.000 1.175 700 A CA 1.929 53.443 52.037 -0.872 0.000 0.628 700 A CB -0.819 17.681 19.000 -0.833 0.000 0.814 700 A HN 0.594 nan 8.150 nan 0.000 0.444 701 E N -0.370 119.713 120.200 -0.196 0.000 2.077 701 E HA -0.221 4.120 4.350 -0.014 0.000 0.193 701 E C 1.764 178.339 176.600 -0.042 0.000 0.989 701 E CA 1.296 57.642 56.400 -0.089 0.000 0.800 701 E CB -0.074 29.591 29.700 -0.057 0.000 0.746 701 E HN 0.563 nan 8.360 nan 0.000 0.452 702 E N 0.124 120.326 120.200 0.003 0.000 2.046 702 E HA -0.125 4.217 4.350 -0.014 0.000 0.190 702 E C 1.893 178.519 176.600 0.042 0.000 0.982 702 E CA 1.126 57.549 56.400 0.038 0.000 0.800 702 E CB -0.205 29.565 29.700 0.116 0.000 0.756 702 E HN 0.365 nan 8.360 nan 0.000 0.449 703 A N 0.452 123.305 122.820 0.055 0.000 2.021 703 A HA 0.305 4.616 4.320 -0.014 0.000 0.216 703 A C 1.084 178.690 177.584 0.037 0.000 1.163 703 A CA 1.162 53.247 52.037 0.080 0.000 0.676 703 A CB -0.088 19.022 19.000 0.184 0.000 0.818 703 A HN 0.267 nan 8.150 nan 0.000 0.453 704 G N -0.648 108.149 108.800 -0.005 0.000 3.055 704 G HA2 -0.094 3.858 3.960 -0.014 0.000 0.686 704 G HA3 -0.094 3.858 3.960 -0.014 0.000 0.686 704 G C -0.042 174.846 174.900 -0.020 0.000 1.087 704 G CA 0.000 45.089 45.100 -0.019 0.000 0.779 704 G HN 0.263 nan 8.290 nan 0.000 0.599 705 E N 0.955 121.129 120.200 -0.043 0.000 2.204 705 E HA -0.147 4.194 4.350 -0.014 0.000 0.195 705 E C 2.009 178.598 176.600 -0.019 0.000 0.990 705 E CA 1.670 58.051 56.400 -0.032 0.000 0.821 705 E CB 0.077 29.752 29.700 -0.041 0.000 0.750 705 E HN 0.767 nan 8.360 nan 0.000 0.477 706 E N 0.737 120.914 120.200 -0.039 0.000 2.268 706 E HA -0.097 4.244 4.350 -0.014 0.000 0.195 706 E C 0.961 177.479 176.600 -0.135 0.000 0.995 706 E CA 0.660 57.015 56.400 -0.075 0.000 0.836 706 E CB -0.013 29.654 29.700 -0.055 0.000 0.763 706 E HN 0.142 nan 8.360 nan 0.000 0.491 707 N N -0.409 118.244 118.700 -0.079 0.000 2.238 707 N HA 0.157 4.888 4.740 -0.014 0.000 0.222 707 N C -1.009 174.438 175.510 -0.106 0.000 1.133 707 N CA 0.059 53.039 53.050 -0.118 0.000 0.854 707 N CB 0.416 38.885 38.487 -0.030 0.000 1.041 707 N HN 0.045 nan 8.380 nan 0.000 0.510 708 F N -0.361 119.388 119.950 -0.335 0.000 2.578 708 F HA 0.394 4.912 4.527 -0.015 0.000 0.311 708 F C -0.789 174.805 175.800 -0.345 0.000 1.094 708 F CA -1.047 56.798 58.000 -0.258 0.000 0.923 708 F CB 1.341 40.272 39.000 -0.115 0.000 1.230 708 F HN -0.208 nan 8.300 nan 0.000 0.450 709 F N 5.445 125.401 119.950 0.009 0.000 2.425 709 F HA 0.411 4.930 4.527 -0.014 0.000 0.354 709 F C -0.252 175.683 175.800 0.225 0.000 1.162 709 F CA -0.416 57.632 58.000 0.080 0.000 1.250 709 F CB -0.176 38.821 39.000 -0.005 0.000 1.579 709 F HN 0.063 nan 8.300 nan 0.000 0.589 710 I N 3.767 124.540 120.570 0.339 0.000 2.396 710 I HA 0.365 4.526 4.170 -0.014 0.000 0.292 710 I C -0.138 176.163 176.117 0.306 0.000 0.999 710 I CA -0.502 60.962 61.300 0.273 0.000 1.310 710 I CB 0.561 38.644 38.000 0.138 0.000 1.404 710 I HN 0.326 nan 8.210 nan 0.000 0.496 711 F N 3.420 123.437 119.950 0.112 0.000 2.685 711 F HA 0.958 5.476 4.527 -0.015 0.000 0.315 711 F C 0.112 175.951 175.800 0.065 0.000 1.126 711 F CA -0.702 57.353 58.000 0.092 0.000 0.950 711 F CB 0.992 40.062 39.000 0.117 0.000 1.360 711 F HN 0.832 nan 8.300 nan 0.000 0.469 712 G N 0.999 109.870 108.800 0.119 0.000 2.757 712 G HA2 -0.088 3.863 3.960 -0.014 0.000 0.638 712 G HA3 -0.088 3.863 3.960 -0.014 0.000 0.638 712 G C -0.880 173.993 174.900 -0.044 0.000 1.344 712 G CA -0.617 44.490 45.100 0.011 0.000 0.855 712 G HN 0.955 nan 8.290 nan 0.000 0.537 713 M N 0.912 120.496 119.600 -0.027 0.000 2.249 713 M HA 0.211 4.682 4.480 -0.014 0.000 0.340 713 M C 1.240 177.505 176.300 -0.058 0.000 1.166 713 M CA 0.044 55.334 55.300 -0.018 0.000 1.115 713 M CB 0.286 32.884 32.600 -0.003 0.000 1.606 713 M HN 0.522 nan 8.290 nan 0.000 0.448 714 R N 1.766 122.245 120.500 -0.035 0.000 2.541 714 R HA 0.246 4.578 4.340 -0.014 0.000 0.263 714 R C 1.234 177.515 176.300 -0.031 0.000 1.112 714 R CA -0.547 55.528 56.100 -0.043 0.000 1.170 714 R CB -0.069 30.213 30.300 -0.030 0.000 1.167 714 R HN 0.576 nan 8.270 nan 0.000 0.582 715 V N 1.480 121.374 119.914 -0.033 0.000 2.324 715 V HA -0.281 3.830 4.120 -0.014 0.000 0.250 715 V C 1.893 177.977 176.094 -0.017 0.000 1.060 715 V CA 2.079 64.364 62.300 -0.025 0.000 1.042 715 V CB -0.484 31.323 31.823 -0.027 0.000 0.650 715 V HN 0.625 nan 8.190 nan 0.000 0.450 716 E N 0.053 120.245 120.200 -0.014 0.000 2.110 716 E HA -0.175 4.167 4.350 -0.014 0.000 0.193 716 E C 1.986 178.589 176.600 0.006 0.000 0.988 716 E CA 1.343 57.740 56.400 -0.005 0.000 0.804 716 E CB -0.348 29.349 29.700 -0.004 0.000 0.745 716 E HN 0.627 nan 8.360 nan 0.000 0.458 717 D N -0.149 120.256 120.400 0.009 0.000 2.144 717 D HA -0.097 4.535 4.640 -0.014 0.000 0.200 717 D C 1.975 178.292 176.300 0.027 0.000 0.978 717 D CA 0.827 54.842 54.000 0.026 0.000 0.833 717 D CB -0.033 40.785 40.800 0.031 0.000 0.961 717 D HN 0.063 nan 8.370 nan 0.000 0.470 718 V N 1.828 121.746 119.914 0.006 0.000 2.295 718 V HA -0.214 3.898 4.120 -0.014 0.000 0.246 718 V C 1.992 178.087 176.094 0.002 0.000 1.049 718 V CA 1.666 63.963 62.300 -0.006 0.000 1.024 718 V CB -0.416 31.393 31.823 -0.023 0.000 0.648 718 V HN 0.017 nan 8.190 nan 0.000 0.447 719 D N -0.055 120.346 120.400 0.002 0.000 2.123 719 D HA -0.163 4.469 4.640 -0.014 0.000 0.196 719 D C 2.431 178.742 176.300 0.019 0.000 0.992 719 D CA 1.320 55.323 54.000 0.004 0.000 0.833 719 D CB -0.258 40.541 40.800 -0.002 0.000 0.954 719 D HN 0.350 nan 8.370 nan 0.000 0.455 720 R N -0.035 120.481 120.500 0.027 0.000 2.096 720 R HA -0.002 4.330 4.340 -0.014 0.000 0.235 720 R C 2.466 178.801 176.300 0.058 0.000 1.127 720 R CA 0.445 56.568 56.100 0.039 0.000 0.968 720 R CB -0.286 30.039 30.300 0.041 0.000 0.861 720 R HN 0.205 nan 8.270 nan 0.000 0.440 721 L N 0.543 121.810 121.223 0.073 0.000 2.093 721 L HA -0.180 4.152 4.340 -0.014 0.000 0.208 721 L C 1.358 178.293 176.870 0.109 0.000 1.085 721 L CA 1.259 56.169 54.840 0.117 0.000 0.755 721 L CB -0.194 41.953 42.059 0.147 0.000 0.904 721 L HN 0.217 nan 8.230 nan 0.000 0.435 722 D N -0.487 119.952 120.400 0.064 0.000 2.117 722 D HA -0.201 4.431 4.640 -0.014 0.000 0.198 722 D C 2.195 178.525 176.300 0.049 0.000 0.982 722 D CA 1.056 55.087 54.000 0.051 0.000 0.828 722 D CB -0.021 40.788 40.800 0.016 0.000 0.967 722 D HN 0.416 nan 8.370 nan 0.000 0.464 723 Q N 0.109 119.934 119.800 0.042 0.000 2.084 723 Q HA -0.126 4.206 4.340 -0.014 0.000 0.202 723 Q C 2.267 178.293 176.000 0.043 0.000 0.978 723 Q CA 1.024 56.849 55.803 0.036 0.000 0.844 723 Q CB 0.005 28.760 28.738 0.029 0.000 0.898 723 Q HN 0.145 nan 8.270 nan 0.000 0.426 724 R N -0.399 120.134 120.500 0.055 0.000 2.090 724 R HA 0.005 4.336 4.340 -0.014 0.000 0.228 724 R C -0.065 176.274 176.300 0.064 0.000 1.110 724 R CA 0.884 57.019 56.100 0.057 0.000 0.973 724 R CB 0.228 30.568 30.300 0.068 0.000 0.869 724 R HN 0.295 nan 8.270 nan 0.000 0.440 725 G N -0.189 108.664 108.800 0.087 0.000 3.355 725 G HA2 -0.260 3.692 3.960 -0.014 0.000 0.686 725 G HA3 -0.260 3.692 3.960 -0.014 0.000 0.686 725 G C -1.356 173.636 174.900 0.154 0.000 1.097 725 G CA -0.389 44.773 45.100 0.102 0.000 0.881 725 G HN 0.279 nan 8.290 nan 0.000 0.550 726 Y N 3.701 124.034 120.300 0.054 0.000 2.480 726 Y HA 0.499 5.041 4.550 -0.014 0.000 0.341 726 Y C 0.575 176.528 175.900 0.088 0.000 1.031 726 Y CA -0.558 57.593 58.100 0.086 0.000 1.295 726 Y CB 0.750 39.243 38.460 0.057 0.000 1.162 726 Y HN 0.578 nan 8.280 nan 0.000 0.523 727 N N 5.150 123.653 118.700 -0.328 0.000 2.558 727 N HA 0.341 5.072 4.740 -0.014 0.000 0.242 727 N C 0.270 175.534 175.510 -0.411 0.000 0.979 727 N CA 0.196 53.047 53.050 -0.331 0.000 0.931 727 N CB 1.181 39.590 38.487 -0.130 0.000 1.122 727 N HN 0.881 nan 8.380 nan 0.000 0.508 728 A N 2.989 125.478 122.820 -0.551 0.000 1.972 728 A HA -0.206 4.106 4.320 -0.014 0.000 0.219 728 A C 1.998 179.705 177.584 0.206 0.000 1.169 728 A CA 1.225 53.162 52.037 -0.166 0.000 0.635 728 A CB -0.347 18.483 19.000 -0.282 0.000 0.810 728 A HN 0.769 nan 8.150 nan 0.000 0.446 729 Q N 0.302 120.112 119.800 0.017 0.000 2.135 729 Q HA -0.232 4.100 4.340 -0.014 0.000 0.204 729 Q C 1.876 177.940 176.000 0.106 0.000 0.981 729 Q CA 2.250 58.085 55.803 0.054 0.000 0.856 729 Q CB -0.350 28.371 28.738 -0.029 0.000 0.902 729 Q HN 0.780 nan 8.270 nan 0.000 0.425 730 E N -1.341 118.859 120.200 0.000 0.000 2.058 730 E HA -0.249 4.093 4.350 -0.014 0.000 0.194 730 E C 1.563 178.082 176.600 -0.136 0.000 0.997 730 E CA 1.562 57.887 56.400 -0.125 0.000 0.801 730 E CB -0.247 29.274 29.700 -0.298 0.000 0.746 730 E HN 0.600 nan 8.360 nan 0.000 0.450 731 Y N -1.051 119.307 120.300 0.096 0.000 2.200 731 Y HA -0.206 4.336 4.550 -0.014 0.000 0.290 731 Y C 2.265 178.152 175.900 -0.022 0.000 1.137 731 Y CA 1.508 59.651 58.100 0.072 0.000 1.163 731 Y CB -0.771 37.783 38.460 0.157 0.000 0.988 731 Y HN 0.227 nan 8.280 nan 0.000 0.518 732 Y N 1.414 121.733 120.300 0.031 0.000 2.151 732 Y HA -0.303 4.238 4.550 -0.014 0.000 0.284 732 Y C 1.856 177.718 175.900 -0.063 0.000 1.166 732 Y CA 1.949 59.993 58.100 -0.093 0.000 1.163 732 Y CB -0.410 38.048 38.460 -0.004 0.000 0.974 732 Y HN 0.090 nan 8.280 nan 0.000 0.511 733 D N -0.421 120.059 120.400 0.133 0.000 2.178 733 D HA -0.101 4.531 4.640 -0.014 0.000 0.202 733 D C 1.865 178.134 176.300 -0.052 0.000 0.974 733 D CA 1.292 55.317 54.000 0.042 0.000 0.841 733 D CB -0.100 40.743 40.800 0.072 0.000 0.953 733 D HN 0.488 nan 8.370 nan 0.000 0.478 734 R N -0.322 120.149 120.500 -0.049 0.000 2.334 734 R HA 0.288 4.620 4.340 -0.014 0.000 0.212 734 R C 0.318 176.595 176.300 -0.039 0.000 0.897 734 R CA 0.052 56.126 56.100 -0.044 0.000 1.056 734 R CB 1.163 31.437 30.300 -0.043 0.000 1.046 734 R HN 0.137 nan 8.270 nan 0.000 0.513 735 I N 2.307 122.836 120.570 -0.069 0.000 2.405 735 I HA 0.225 4.387 4.170 -0.014 0.000 0.280 735 I C -1.940 174.084 176.117 -0.156 0.000 1.027 735 I CA -2.349 58.914 61.300 -0.061 0.000 1.161 735 I CB 2.145 40.146 38.000 0.001 0.000 1.300 735 I HN -0.279 nan 8.210 nan 0.000 0.463 736 P HA -0.135 nan 4.420 nan 0.000 0.217 736 P C 1.167 178.376 177.300 -0.151 0.000 1.150 736 P CA 1.283 64.293 63.100 -0.150 0.000 0.832 736 P CB 0.321 31.965 31.700 -0.093 0.000 0.787 737 E N -0.934 119.213 120.200 -0.087 0.000 2.106 737 E HA -0.153 4.189 4.350 -0.014 0.000 0.192 737 E C 1.844 178.354 176.600 -0.150 0.000 0.984 737 E CA 0.654 57.020 56.400 -0.057 0.000 0.806 737 E CB -0.568 29.168 29.700 0.060 0.000 0.750 737 E HN 0.114 nan 8.360 nan 0.000 0.458 738 L N 1.205 122.253 121.223 -0.293 0.000 2.056 738 L HA -0.123 4.209 4.340 -0.014 0.000 0.207 738 L C 2.352 178.964 176.870 -0.430 0.000 1.078 738 L CA 1.574 56.080 54.840 -0.557 0.000 0.749 738 L CB -0.271 41.300 42.059 -0.812 0.000 0.901 738 L HN -0.085 nan 8.230 nan 0.000 0.433 739 R N -0.815 119.408 120.500 -0.462 0.000 2.083 739 R HA -0.250 4.082 4.340 -0.014 0.000 0.237 739 R C 2.395 178.543 176.300 -0.253 0.000 1.137 739 R CA 2.042 57.799 56.100 -0.572 0.000 0.951 739 R CB -0.368 29.515 30.300 -0.693 0.000 0.851 739 R HN 0.603 nan 8.270 nan 0.000 0.434 740 Q N 0.414 120.097 119.800 -0.195 0.000 2.096 740 Q HA -0.191 4.141 4.340 -0.014 0.000 0.204 740 Q C 2.064 178.023 176.000 -0.068 0.000 0.982 740 Q CA 2.019 57.751 55.803 -0.118 0.000 0.850 740 Q CB -0.114 28.554 28.738 -0.116 0.000 0.901 740 Q HN 0.484 nan 8.270 nan 0.000 0.422 741 I N 0.570 121.100 120.570 -0.067 0.000 2.179 741 I HA -0.280 3.881 4.170 -0.014 0.000 0.242 741 I C 2.105 178.261 176.117 0.065 0.000 1.088 741 I CA 0.623 61.928 61.300 0.007 0.000 1.357 741 I CB -0.300 37.675 38.000 -0.042 0.000 1.051 741 I HN 0.294 nan 8.210 nan 0.000 0.409 742 I N 0.815 121.419 120.570 0.056 0.000 2.286 742 I HA -0.234 3.928 4.170 -0.014 0.000 0.248 742 I C 2.455 178.677 176.117 0.176 0.000 1.115 742 I CA 1.629 63.027 61.300 0.163 0.000 1.392 742 I CB -1.308 36.871 38.000 0.298 0.000 1.065 742 I HN 0.344 nan 8.210 nan 0.000 0.418 743 E N 0.391 120.673 120.200 0.137 0.000 2.077 743 E HA -0.240 4.101 4.350 -0.014 0.000 0.193 743 E C 2.193 178.860 176.600 0.112 0.000 0.989 743 E CA 1.027 57.497 56.400 0.116 0.000 0.800 743 E CB -0.105 29.630 29.700 0.058 0.000 0.746 743 E HN 0.574 nan 8.360 nan 0.000 0.452 744 Q N 0.420 120.276 119.800 0.094 0.000 2.050 744 Q HA -0.141 4.191 4.340 -0.014 0.000 0.202 744 Q C 2.372 178.567 176.000 0.326 0.000 0.980 744 Q CA 1.043 56.926 55.803 0.133 0.000 0.840 744 Q CB -0.059 28.712 28.738 0.055 0.000 0.898 744 Q HN 0.295 nan 8.270 nan 0.000 0.424 745 L N -0.075 121.347 121.223 0.332 0.000 2.017 745 L HA -0.199 4.133 4.340 -0.014 0.000 0.208 745 L C 2.442 179.501 176.870 0.315 0.000 1.073 745 L CA 1.022 56.073 54.840 0.351 0.000 0.745 745 L CB -0.377 41.804 42.059 0.203 0.000 0.894 745 L HN 0.146 nan 8.230 nan 0.000 0.432 746 S N -0.390 115.449 115.700 0.231 0.000 2.383 746 S HA -0.138 4.324 4.470 -0.014 0.000 0.227 746 S C 2.073 176.775 174.600 0.169 0.000 1.026 746 S CA 1.471 59.783 58.200 0.188 0.000 0.981 746 S CB -0.172 63.119 63.200 0.151 0.000 0.818 746 S HN 0.605 nan 8.310 nan 0.000 0.472 747 S N 0.335 116.136 115.700 0.170 0.000 2.527 747 S HA 0.341 4.802 4.470 -0.014 0.000 0.222 747 S C 1.384 176.074 174.600 0.150 0.000 0.985 747 S CA 0.631 58.915 58.200 0.140 0.000 0.921 747 S CB 0.007 63.280 63.200 0.121 0.000 0.772 747 S HN 0.789 nan 8.310 nan 0.000 0.529 748 G N 0.736 109.658 108.800 0.203 0.000 2.140 748 G HA2 -0.274 3.678 3.960 -0.014 0.000 0.211 748 G HA3 -0.274 3.678 3.960 -0.014 0.000 0.211 748 G C 0.130 175.126 174.900 0.160 0.000 1.013 748 G CA 0.094 45.303 45.100 0.181 0.000 0.705 748 G HN 0.520 nan 8.290 nan 0.000 0.508 749 F N 0.099 120.059 119.950 0.016 0.000 2.171 749 F HA 0.195 4.714 4.527 -0.014 0.000 0.300 749 F C 1.918 177.535 175.800 -0.307 0.000 1.090 749 F CA 1.909 59.796 58.000 -0.189 0.000 1.293 749 F CB -0.019 38.784 39.000 -0.329 0.000 1.013 749 F HN 0.179 nan 8.300 nan 0.000 0.486 750 F N -0.253 119.793 119.950 0.161 0.000 2.727 750 F HA 0.189 4.708 4.527 -0.014 0.000 0.302 750 F C 0.646 176.528 175.800 0.136 0.000 1.097 750 F CA 0.239 58.290 58.000 0.086 0.000 1.330 750 F CB -0.084 39.002 39.000 0.143 0.000 1.084 750 F HN -0.037 nan 8.300 nan 0.000 0.578 751 S N -1.721 114.109 115.700 0.217 0.000 2.564 751 S HA 0.320 4.781 4.470 -0.014 0.000 0.141 751 S C -2.497 172.114 174.600 0.018 0.000 1.474 751 S CA -1.024 57.228 58.200 0.087 0.000 1.236 751 S CB 0.969 64.169 63.200 -0.001 0.000 1.481 751 S HN -0.185 nan 8.310 nan 0.000 0.397 752 P HA -0.017 nan 4.420 nan 0.000 0.217 752 P C 0.969 178.259 177.300 -0.018 0.000 1.150 752 P CA 1.117 64.196 63.100 -0.035 0.000 0.832 752 P CB 0.089 31.744 31.700 -0.074 0.000 0.787 753 K N -1.120 119.269 120.400 -0.019 0.000 2.365 753 K HA 0.047 4.358 4.320 -0.014 0.000 0.197 753 K C 0.609 177.204 176.600 -0.009 0.000 1.042 753 K CA 0.662 56.942 56.287 -0.013 0.000 0.987 753 K CB 0.112 32.605 32.500 -0.012 0.000 0.779 753 K HN 0.276 nan 8.250 nan 0.000 0.484 754 Q N -0.155 119.636 119.800 -0.015 0.000 3.064 754 Q HA 0.159 4.491 4.340 -0.014 0.000 0.258 754 Q C -2.409 173.575 176.000 -0.025 0.000 0.972 754 Q CA -1.626 54.164 55.803 -0.023 0.000 0.761 754 Q CB 1.506 30.223 28.738 -0.036 0.000 1.281 754 Q HN -0.091 nan 8.270 nan 0.000 0.455 755 P HA -0.213 nan 4.420 nan 0.000 0.218 755 P C 0.600 177.927 177.300 0.046 0.000 1.148 755 P CA 1.417 64.539 63.100 0.037 0.000 0.822 755 P CB 0.194 31.918 31.700 0.041 0.000 0.784 756 D N -1.279 119.133 120.400 0.021 0.000 2.358 756 D HA -0.001 4.630 4.640 -0.014 0.000 0.224 756 D C 1.565 177.859 176.300 -0.011 0.000 1.123 756 D CA -0.247 53.773 54.000 0.033 0.000 0.833 756 D CB -0.628 40.194 40.800 0.036 0.000 0.946 756 D HN 0.045 nan 8.370 nan 0.000 0.505 757 L N -0.205 120.943 121.223 -0.124 0.000 2.042 757 L HA -0.022 4.310 4.340 -0.014 0.000 0.210 757 L C 1.203 177.870 176.870 -0.339 0.000 1.076 757 L CA 1.639 56.288 54.840 -0.319 0.000 0.749 757 L CB -0.534 41.142 42.059 -0.638 0.000 0.893 757 L HN -0.025 nan 8.230 nan 0.000 0.432 758 F N -0.560 119.444 119.950 0.091 0.000 2.668 758 F HA 0.131 4.650 4.527 -0.014 0.000 0.297 758 F C 1.848 177.700 175.800 0.087 0.000 1.124 758 F CA -0.188 57.856 58.000 0.073 0.000 1.353 758 F CB -0.313 38.719 39.000 0.053 0.000 0.992 758 F HN 0.101 nan 8.300 nan 0.000 0.524 759 K N -0.328 120.190 120.400 0.196 0.000 2.103 759 K HA -0.193 4.118 4.320 -0.014 0.000 0.207 759 K C 0.977 177.679 176.600 0.170 0.000 1.048 759 K CA 2.013 58.399 56.287 0.164 0.000 0.930 759 K CB -0.259 32.312 32.500 0.119 0.000 0.716 759 K HN 0.070 nan 8.250 nan 0.000 0.444 760 D N 1.260 121.771 120.400 0.185 0.000 2.117 760 D HA -0.083 4.548 4.640 -0.014 0.000 0.197 760 D C 2.051 178.458 176.300 0.178 0.000 0.987 760 D CA 1.153 55.269 54.000 0.193 0.000 0.829 760 D CB -0.127 40.820 40.800 0.245 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.460 761 I N 0.428 121.105 120.570 0.178 0.000 2.202 761 I HA -0.218 3.943 4.170 -0.014 0.000 0.242 761 I C 2.420 178.600 176.117 0.105 0.000 1.091 761 I CA 0.605 61.981 61.300 0.127 0.000 1.368 761 I CB -0.245 37.820 38.000 0.108 0.000 1.058 761 I HN -0.110 nan 8.210 nan 0.000 0.410 762 V N 1.205 121.198 119.914 0.133 0.000 2.287 762 V HA -0.314 3.798 4.120 -0.014 0.000 0.248 762 V C 2.256 178.392 176.094 0.070 0.000 1.053 762 V CA 2.441 64.808 62.300 0.111 0.000 1.027 762 V CB -0.999 30.907 31.823 0.138 0.000 0.646 762 V HN 0.473 nan 8.190 nan 0.000 0.447 763 N N -0.160 118.613 118.700 0.120 0.000 2.069 763 N HA -0.221 4.511 4.740 -0.014 0.000 0.191 763 N C 1.852 177.445 175.510 0.138 0.000 1.031 763 N CA 1.910 55.064 53.050 0.174 0.000 0.852 763 N CB -0.303 38.314 38.487 0.217 0.000 1.018 763 N HN 0.336 nan 8.380 nan 0.000 0.423 764 M N -0.224 119.459 119.600 0.138 0.000 2.086 764 M HA -0.123 4.349 4.480 -0.014 0.000 0.261 764 M C 1.449 177.743 176.300 -0.011 0.000 1.067 764 M CA 1.335 56.713 55.300 0.130 0.000 1.116 764 M CB -0.656 32.028 32.600 0.140 0.000 1.348 764 M HN 0.209 nan 8.290 nan 0.000 0.407 765 L N 0.650 121.819 121.223 -0.090 0.000 2.042 765 L HA -0.215 4.117 4.340 -0.014 0.000 0.210 765 L C 2.460 179.039 176.870 -0.486 0.000 1.076 765 L CA 1.674 56.322 54.840 -0.320 0.000 0.749 765 L CB -1.150 40.751 42.059 -0.264 0.000 0.893 765 L HN 0.353 nan 8.230 nan 0.000 0.432 766 M N -2.030 117.347 119.600 -0.371 0.000 2.288 766 M HA -0.070 4.402 4.480 -0.014 0.000 0.266 766 M C 1.826 177.684 176.300 -0.737 0.000 1.072 766 M CA 1.405 56.368 55.300 -0.562 0.000 1.132 766 M CB -0.744 31.427 32.600 -0.716 0.000 1.386 766 M HN 0.344 nan 8.290 nan 0.000 0.432 767 H N -2.451 116.460 119.070 -0.264 0.000 3.067 767 H HA 0.227 4.775 4.556 -0.014 0.000 0.241 767 H C 0.158 175.096 175.328 -0.650 0.000 0.961 767 H CA 0.531 56.276 56.048 -0.505 0.000 1.123 767 H CB 0.391 29.737 29.762 -0.693 0.000 1.448 767 H HN 0.486 nan 8.280 nan 0.000 0.457 768 H N 0.214 119.347 119.070 0.105 0.000 2.716 768 H HA 0.185 4.733 4.556 -0.014 0.000 0.230 768 H C -0.864 174.490 175.328 0.044 0.000 1.401 768 H CA -0.379 55.715 56.048 0.077 0.000 1.168 768 H CB 0.749 30.558 29.762 0.078 0.000 1.935 768 H HN -0.014 nan 8.280 nan 0.000 0.538 769 D N 1.073 121.530 120.400 0.096 0.000 2.441 769 D HA 0.116 4.748 4.640 -0.014 0.000 0.221 769 D C 0.929 177.182 176.300 -0.077 0.000 1.156 769 D CA -0.383 53.641 54.000 0.039 0.000 0.896 769 D CB 0.607 41.406 40.800 -0.002 0.000 1.028 769 D HN 0.325 nan 8.370 nan 0.000 0.509 770 R N 2.232 122.588 120.500 -0.241 0.000 2.285 770 R HA -0.024 4.308 4.340 -0.014 0.000 0.213 770 R C 0.546 176.366 176.300 -0.800 0.000 1.068 770 R CA 0.836 56.589 56.100 -0.578 0.000 1.004 770 R CB 0.100 29.883 30.300 -0.862 0.000 0.873 770 R HN 0.404 nan 8.270 nan 0.000 0.467 771 F N 0.277 120.175 119.950 -0.088 0.000 2.661 771 F HA 0.273 4.792 4.527 -0.014 0.000 0.306 771 F C 0.077 175.754 175.800 -0.206 0.000 1.094 771 F CA -0.698 57.240 58.000 -0.103 0.000 1.254 771 F CB 0.238 39.235 39.000 -0.005 0.000 1.040 771 F HN -0.247 nan 8.300 nan 0.000 0.562 772 K N -0.348 119.865 120.400 -0.313 0.000 3.148 772 K HA -0.177 4.134 4.320 -0.014 0.000 0.267 772 K C 0.996 177.483 176.600 -0.188 0.000 0.996 772 K CA 0.203 56.134 56.287 -0.592 0.000 0.737 772 K CB -1.860 30.236 32.500 -0.673 0.000 1.308 772 K HN 0.206 nan 8.250 nan 0.000 0.470 773 V N -0.012 119.868 119.914 -0.056 0.000 2.282 773 V HA -0.297 3.814 4.120 -0.014 0.000 0.249 773 V C 1.954 178.193 176.094 0.241 0.000 1.057 773 V CA 2.366 64.712 62.300 0.077 0.000 1.032 773 V CB -0.498 31.369 31.823 0.075 0.000 0.645 773 V HN 0.489 nan 8.190 nan 0.000 0.447 774 F N 0.179 120.138 119.950 0.015 0.000 2.171 774 F HA -0.184 4.335 4.527 -0.014 0.000 0.300 774 F C 2.520 178.116 175.800 -0.340 0.000 1.090 774 F CA 0.668 58.618 58.000 -0.082 0.000 1.293 774 F CB -0.375 38.591 39.000 -0.057 0.000 1.013 774 F HN 0.203 nan 8.300 nan 0.000 0.486 775 A N -0.576 122.086 122.820 -0.263 0.000 2.070 775 A HA -0.186 4.125 4.320 -0.014 0.000 0.220 775 A C 1.438 179.011 177.584 -0.019 0.000 1.159 775 A CA 1.803 53.596 52.037 -0.408 0.000 0.656 775 A CB -0.435 18.478 19.000 -0.144 0.000 0.800 775 A HN 0.227 nan 8.150 nan 0.000 0.453 776 D N -2.842 117.610 120.400 0.087 0.000 2.369 776 D HA 0.089 4.720 4.640 -0.014 0.000 0.211 776 D C 1.163 177.624 176.300 0.269 0.000 1.077 776 D CA -0.022 54.104 54.000 0.210 0.000 0.842 776 D CB -0.102 40.834 40.800 0.227 0.000 0.947 776 D HN 0.590 nan 8.370 nan 0.000 0.509 777 Y N 1.993 122.372 120.300 0.132 0.000 2.114 777 Y HA -0.193 4.349 4.550 -0.014 0.000 0.284 777 Y C 2.079 178.058 175.900 0.131 0.000 1.143 777 Y CA 1.832 60.020 58.100 0.147 0.000 1.135 777 Y CB 0.203 38.719 38.460 0.094 0.000 0.980 777 Y HN -0.114 nan 8.280 nan 0.000 0.499 778 E N 0.043 120.294 120.200 0.085 0.000 2.038 778 E HA -0.244 4.098 4.350 -0.014 0.000 0.195 778 E C 2.182 178.741 176.600 -0.068 0.000 1.000 778 E CA 1.588 57.970 56.400 -0.030 0.000 0.803 778 E CB -0.178 29.607 29.700 0.141 0.000 0.750 778 E HN 0.627 nan 8.360 nan 0.000 0.448 779 E N -0.182 120.055 120.200 0.061 0.000 2.110 779 E HA -0.212 4.130 4.350 -0.014 0.000 0.193 779 E C 1.956 178.538 176.600 -0.030 0.000 0.988 779 E CA 0.862 57.320 56.400 0.096 0.000 0.804 779 E CB -0.161 29.690 29.700 0.252 0.000 0.745 779 E HN 0.268 nan 8.360 nan 0.000 0.458 780 Y N 1.328 121.421 120.300 -0.344 0.000 2.114 780 Y HA -0.232 4.309 4.550 -0.014 0.000 0.284 780 Y C 2.180 177.685 175.900 -0.659 0.000 1.143 780 Y CA 1.032 58.602 58.100 -0.884 0.000 1.135 780 Y CB -0.569 37.416 38.460 -0.792 0.000 0.980 780 Y HN -0.207 nan 8.280 nan 0.000 0.499 781 V N 0.425 119.977 119.914 -0.603 0.000 2.287 781 V HA -0.317 3.794 4.120 -0.014 0.000 0.248 781 V C 2.377 178.245 176.094 -0.376 0.000 1.053 781 V CA 2.358 64.326 62.300 -0.553 0.000 1.027 781 V CB -0.675 30.837 31.823 -0.518 0.000 0.646 781 V HN 0.232 nan 8.190 nan 0.000 0.447 782 K N -0.664 119.579 120.400 -0.262 0.000 2.063 782 K HA -0.214 4.098 4.320 -0.014 0.000 0.208 782 K C 2.265 178.777 176.600 -0.147 0.000 1.048 782 K CA 1.942 58.141 56.287 -0.147 0.000 0.928 782 K CB -0.807 31.653 32.500 -0.067 0.000 0.713 782 K HN 0.561 nan 8.250 nan 0.000 0.442 783 C N 0.731 119.914 119.300 -0.196 0.000 2.446 783 C HA -0.063 4.389 4.460 -0.014 0.000 0.277 783 C C 2.470 177.293 174.990 -0.277 0.000 1.275 783 C CA 0.646 59.582 59.018 -0.136 0.000 1.727 783 C CB -0.707 26.976 27.740 -0.096 0.000 2.010 783 C HN 0.477 nan 8.230 nan 0.000 0.486 784 Q N 0.537 120.029 119.800 -0.513 0.000 2.170 784 Q HA -0.181 4.150 4.340 -0.014 0.000 0.203 784 Q C 1.978 177.792 176.000 -0.310 0.000 0.976 784 Q CA 1.661 57.124 55.803 -0.566 0.000 0.858 784 Q CB -0.413 27.750 28.738 -0.959 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.250 120.325 120.200 -0.209 0.000 2.110 785 E HA -0.146 4.196 4.350 -0.014 0.000 0.193 785 E C 2.075 178.640 176.600 -0.057 0.000 0.988 785 E CA 0.631 56.968 56.400 -0.105 0.000 0.804 785 E CB -0.040 29.616 29.700 -0.074 0.000 0.745 785 E HN 0.279 nan 8.360 nan 0.000 0.458 786 R N 0.458 120.936 120.500 -0.038 0.000 2.115 786 R HA -0.077 4.254 4.340 -0.014 0.000 0.230 786 R C 2.412 178.751 176.300 0.065 0.000 1.111 786 R CA 0.815 56.964 56.100 0.081 0.000 0.976 786 R CB -0.300 30.118 30.300 0.196 0.000 0.870 786 R HN 0.061 nan 8.270 nan 0.000 0.445 787 V N 0.704 120.459 119.914 -0.265 0.000 2.261 787 V HA -0.251 3.861 4.120 -0.014 0.000 0.246 787 V C 2.186 178.267 176.094 -0.022 0.000 1.047 787 V CA 2.036 64.073 62.300 -0.439 0.000 1.015 787 V CB -0.389 31.044 31.823 -0.650 0.000 0.642 787 V HN 0.287 nan 8.190 nan 0.000 0.446 788 S N 0.140 115.799 115.700 -0.069 0.000 2.382 788 S HA -0.178 4.283 4.470 -0.014 0.000 0.228 788 S C 2.198 176.855 174.600 0.094 0.000 1.027 788 S CA 1.386 59.578 58.200 -0.014 0.000 0.991 788 S CB -0.511 62.653 63.200 -0.060 0.000 0.823 788 S HN 0.655 nan 8.310 nan 0.000 0.469 789 A N 1.457 124.339 122.820 0.102 0.000 1.877 789 A HA -0.002 4.309 4.320 -0.014 0.000 0.216 789 A C 2.098 179.799 177.584 0.194 0.000 1.186 789 A CA 1.088 53.206 52.037 0.134 0.000 0.620 789 A CB -0.723 18.347 19.000 0.117 0.000 0.822 789 A HN 0.454 nan 8.150 nan 0.000 0.443 790 L N -2.026 119.374 121.223 0.294 0.000 2.093 790 L HA -0.155 4.176 4.340 -0.014 0.000 0.208 790 L C 2.471 179.614 176.870 0.455 0.000 1.085 790 L CA 1.827 56.915 54.840 0.414 0.000 0.755 790 L CB -0.448 41.974 42.059 0.604 0.000 0.904 790 L HN 0.602 nan 8.230 nan 0.000 0.435 791 Y N 0.965 121.388 120.300 0.206 0.000 2.333 791 Y HA -0.258 4.284 4.550 -0.013 0.000 0.290 791 Y C 2.423 178.255 175.900 -0.112 0.000 1.144 791 Y CA 1.554 59.520 58.100 -0.222 0.000 1.228 791 Y CB -0.048 38.068 38.460 -0.573 0.000 0.985 791 Y HN 0.066 nan 8.280 nan 0.000 0.542 792 K N -0.113 120.330 120.400 0.071 0.000 2.360 792 K HA -0.147 4.164 4.320 -0.014 0.000 0.201 792 K C 0.376 176.966 176.600 -0.017 0.000 1.046 792 K CA 0.855 57.166 56.287 0.040 0.000 0.945 792 K CB -0.103 32.463 32.500 0.109 0.000 0.750 792 K HN 0.050 nan 8.250 nan 0.000 0.464 793 N N 0.341 119.047 118.700 0.011 0.000 2.898 793 N HA 0.137 4.869 4.740 -0.014 0.000 0.245 793 N C -2.440 173.077 175.510 0.013 0.000 1.185 793 N CA -2.240 50.822 53.050 0.019 0.000 0.879 793 N CB 1.162 39.691 38.487 0.070 0.000 1.157 793 N HN -0.192 nan 8.380 nan 0.000 0.503 794 P HA -0.175 nan 4.420 nan 0.000 0.216 794 P C 1.384 178.701 177.300 0.028 0.000 1.153 794 P CA 1.113 64.148 63.100 -0.108 0.000 0.858 794 P CB 0.391 31.997 31.700 -0.157 0.000 0.789 795 R N 0.043 120.557 120.500 0.024 0.000 2.081 795 R HA -0.144 4.188 4.340 -0.014 0.000 0.235 795 R C 1.883 178.226 176.300 0.071 0.000 1.131 795 R CA 1.389 57.513 56.100 0.040 0.000 0.960 795 R CB -0.335 29.979 30.300 0.023 0.000 0.856 795 R HN 0.089 nan 8.270 nan 0.000 0.436 796 E N -0.124 120.128 120.200 0.088 0.000 2.216 796 E HA -0.198 4.143 4.350 -0.014 0.000 0.192 796 E C 1.573 178.251 176.600 0.130 0.000 0.988 796 E CA 0.481 56.935 56.400 0.091 0.000 0.834 796 E CB -0.376 29.375 29.700 0.085 0.000 0.772 796 E HN 0.505 nan 8.360 nan 0.000 0.479 797 W N 2.248 123.550 121.300 0.003 0.000 2.333 797 W HA -0.201 4.450 4.660 -0.015 0.000 0.316 797 W C 1.605 178.134 176.519 0.017 0.000 1.215 797 W CA 2.172 59.534 57.345 0.027 0.000 1.278 797 W CB -0.417 29.031 29.460 -0.020 0.000 1.154 797 W HN 0.032 nan 8.180 nan 0.000 0.486 798 T N 1.172 115.856 114.554 0.217 0.000 2.788 798 T HA -0.172 4.169 4.350 -0.014 0.000 0.268 798 T C 1.839 176.544 174.700 0.008 0.000 1.044 798 T CA 1.690 63.849 62.100 0.099 0.000 1.139 798 T CB -0.325 68.591 68.868 0.079 0.000 0.867 798 T HN 0.181 nan 8.240 nan 0.000 0.454 799 R N 0.421 120.934 120.500 0.020 0.000 2.096 799 R HA 0.090 4.422 4.340 -0.014 0.000 0.235 799 R C 2.509 178.796 176.300 -0.021 0.000 1.127 799 R CA 1.198 57.309 56.100 0.019 0.000 0.968 799 R CB -0.342 29.977 30.300 0.031 0.000 0.861 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.486 120.037 119.600 -0.082 0.000 2.175 800 M HA -0.141 4.330 4.480 -0.014 0.000 0.264 800 M C 1.955 178.159 176.300 -0.160 0.000 1.063 800 M CA 1.361 56.575 55.300 -0.143 0.000 1.119 800 M CB 0.164 32.622 32.600 -0.237 0.000 1.377 800 M HN -0.017 nan 8.290 nan 0.000 0.415 801 V N 0.964 120.758 119.914 -0.200 0.000 2.287 801 V HA -0.325 3.787 4.120 -0.014 0.000 0.248 801 V C 2.198 178.270 176.094 -0.038 0.000 1.053 801 V CA 2.129 64.344 62.300 -0.141 0.000 1.027 801 V CB -0.654 31.106 31.823 -0.105 0.000 0.646 801 V HN 0.509 nan 8.190 nan 0.000 0.447 802 I N -0.604 119.966 120.570 -0.000 0.000 2.264 802 I HA -0.267 3.895 4.170 -0.014 0.000 0.248 802 I C 2.688 178.853 176.117 0.080 0.000 1.111 802 I CA 1.613 62.963 61.300 0.083 0.000 1.382 802 I CB -0.433 37.669 38.000 0.170 0.000 1.060 802 I HN 0.201 nan 8.210 nan 0.000 0.418 803 R N 0.397 120.921 120.500 0.041 0.000 2.148 803 R HA -0.093 4.238 4.340 -0.014 0.000 0.227 803 R C 2.038 178.368 176.300 0.051 0.000 1.103 803 R CA 1.056 57.180 56.100 0.039 0.000 0.983 803 R CB -0.362 29.947 30.300 0.014 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.660 119.382 118.700 0.038 0.000 2.092 804 N HA -0.090 4.641 4.740 -0.014 0.000 0.189 804 N C 1.961 177.527 175.510 0.093 0.000 1.040 804 N CA 1.147 54.240 53.050 0.073 0.000 0.845 804 N CB -0.049 38.452 38.487 0.023 0.000 1.017 804 N HN 0.110 nan 8.380 nan 0.000 0.426 805 I N 1.697 122.310 120.570 0.071 0.000 2.208 805 I HA -0.256 3.906 4.170 -0.014 0.000 0.245 805 I C 2.487 178.651 176.117 0.079 0.000 1.097 805 I CA 0.980 62.327 61.300 0.078 0.000 1.363 805 I CB -0.375 37.664 38.000 0.066 0.000 1.051 805 I HN 0.102 nan 8.210 nan 0.000 0.413 806 A N 0.368 123.234 122.820 0.077 0.000 2.019 806 A HA -0.179 4.133 4.320 -0.014 0.000 0.219 806 A C 2.099 179.718 177.584 0.059 0.000 1.164 806 A CA 2.153 54.227 52.037 0.061 0.000 0.644 806 A CB -0.881 18.159 19.000 0.067 0.000 0.805 806 A HN 0.551 nan 8.150 nan 0.000 0.449 807 T N -2.988 111.615 114.554 0.083 0.000 3.174 807 T HA 0.195 4.536 4.350 -0.014 0.000 0.269 807 T C 1.158 175.946 174.700 0.147 0.000 1.017 807 T CA 0.635 62.788 62.100 0.088 0.000 0.899 807 T CB -0.155 68.766 68.868 0.088 0.000 1.077 807 T HN 0.487 nan 8.240 nan 0.000 0.552 808 S N 0.201 116.004 115.700 0.172 0.000 2.562 808 S HA 0.222 4.684 4.470 -0.014 0.000 0.221 808 S C 2.234 176.959 174.600 0.208 0.000 0.975 808 S CA 0.331 58.703 58.200 0.288 0.000 0.918 808 S CB -0.708 62.633 63.200 0.235 0.000 0.772 808 S HN 0.531 nan 8.310 nan 0.000 0.531 809 G N 2.714 111.559 108.800 0.075 0.000 2.505 809 G HA2 -0.316 3.636 3.960 -0.014 0.000 0.220 809 G HA3 -0.316 3.636 3.960 -0.014 0.000 0.220 809 G C 1.321 176.168 174.900 -0.088 0.000 1.145 809 G CA 1.106 46.216 45.100 0.016 0.000 0.761 809 G HN 0.617 nan 8.290 nan 0.000 0.571 810 K N -0.173 120.052 120.400 -0.292 0.000 2.218 810 K HA -0.063 4.249 4.320 -0.014 0.000 0.205 810 K C 1.303 177.578 176.600 -0.543 0.000 1.046 810 K CA 0.935 56.902 56.287 -0.532 0.000 0.933 810 K CB -0.276 31.706 32.500 -0.862 0.000 0.728 810 K HN 0.430 nan 8.250 nan 0.000 0.454 811 F N 0.676 120.654 119.950 0.048 0.000 2.645 811 F HA 0.153 4.671 4.527 -0.015 0.000 0.300 811 F C 0.767 176.611 175.800 0.073 0.000 1.115 811 F CA -0.653 57.381 58.000 0.058 0.000 1.355 811 F CB 0.480 39.510 39.000 0.051 0.000 1.026 811 F HN -0.125 nan 8.300 nan 0.000 0.536 812 S N 0.461 116.248 115.700 0.145 0.000 2.531 812 S HA 0.039 4.501 4.470 -0.014 0.000 0.279 812 S C 1.480 176.162 174.600 0.137 0.000 1.305 812 S CA -0.116 58.163 58.200 0.131 0.000 1.058 812 S CB 0.753 64.000 63.200 0.078 0.000 0.899 812 S HN 0.372 nan 8.310 nan 0.000 0.493 813 S N 3.355 119.161 115.700 0.177 0.000 2.507 813 S HA -0.088 4.374 4.470 -0.014 0.000 0.235 813 S C 0.982 175.640 174.600 0.096 0.000 0.988 813 S CA 0.763 59.089 58.200 0.211 0.000 0.944 813 S CB -0.351 63.047 63.200 0.331 0.000 0.762 813 S HN 0.797 nan 8.310 nan 0.000 0.526 814 D N 1.920 122.359 120.400 0.065 0.000 2.117 814 D HA -0.094 4.537 4.640 -0.014 0.000 0.197 814 D C 2.100 178.405 176.300 0.009 0.000 0.987 814 D CA 0.824 54.840 54.000 0.026 0.000 0.829 814 D CB -0.341 40.471 40.800 0.020 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.460 815 R N 0.822 121.329 120.500 0.013 0.000 2.073 815 R HA -0.090 4.242 4.340 -0.014 0.000 0.234 815 R C 1.927 178.221 176.300 -0.011 0.000 1.134 815 R CA 1.437 57.530 56.100 -0.011 0.000 0.952 815 R CB -0.817 29.464 30.300 -0.033 0.000 0.850 815 R HN 0.127 nan 8.270 nan 0.000 0.433 816 T N 2.224 116.796 114.554 0.030 0.000 2.635 816 T HA -0.136 4.206 4.350 -0.014 0.000 0.267 816 T C 1.930 176.635 174.700 0.009 0.000 1.040 816 T CA 1.465 63.602 62.100 0.062 0.000 1.156 816 T CB -0.132 68.856 68.868 0.202 0.000 0.863 816 T HN 0.113 nan 8.240 nan 0.000 0.430 817 I N 1.594 122.093 120.570 -0.118 0.000 2.315 817 I HA -0.068 4.093 4.170 -0.014 0.000 0.248 817 I C 2.939 179.010 176.117 -0.077 0.000 1.117 817 I CA 0.917 62.105 61.300 -0.187 0.000 1.404 817 I CB -1.630 36.251 38.000 -0.198 0.000 1.071 817 I HN 0.196 nan 8.210 nan 0.000 0.419 818 A N 0.322 123.117 122.820 -0.042 0.000 1.940 818 A HA -0.248 4.063 4.320 -0.014 0.000 0.219 818 A C 2.251 179.793 177.584 -0.070 0.000 1.176 818 A CA 1.548 53.567 52.037 -0.030 0.000 0.631 818 A CB -0.576 18.412 19.000 -0.019 0.000 0.814 818 A HN 0.519 nan 8.150 nan 0.000 0.446 819 Q N -1.861 117.878 119.800 -0.102 0.000 2.079 819 Q HA -0.167 4.165 4.340 -0.014 0.000 0.200 819 Q C 1.958 177.785 176.000 -0.289 0.000 0.974 819 Q CA 1.643 57.345 55.803 -0.169 0.000 0.840 819 Q CB -0.329 28.301 28.738 -0.181 0.000 0.898 819 Q HN 0.820 nan 8.270 nan 0.000 0.430 820 Y N 0.692 120.699 120.300 -0.489 0.000 2.128 820 Y HA -0.305 4.236 4.550 -0.014 0.000 0.284 820 Y C 2.503 177.837 175.900 -0.943 0.000 1.154 820 Y CA 1.293 58.845 58.100 -0.915 0.000 1.149 820 Y CB -0.462 37.116 38.460 -1.470 0.000 0.976 820 Y HN 0.167 nan 8.280 nan 0.000 0.505 821 A N 0.278 122.876 122.820 -0.369 0.000 1.883 821 A HA -0.230 4.082 4.320 -0.014 0.000 0.217 821 A C 2.241 179.846 177.584 0.035 0.000 1.186 821 A CA 2.096 54.167 52.037 0.056 0.000 0.624 821 A CB -0.554 18.545 19.000 0.165 0.000 0.822 821 A HN 0.434 nan 8.150 nan 0.000 0.444 822 R N -0.841 119.636 120.500 -0.038 0.000 2.100 822 R HA -0.000 4.331 4.340 -0.014 0.000 0.220 822 R C 1.760 178.040 176.300 -0.033 0.000 1.091 822 R CA 1.377 57.468 56.100 -0.016 0.000 0.986 822 R CB -0.133 30.151 30.300 -0.025 0.000 0.888 822 R HN 0.653 nan 8.270 nan 0.000 0.444 823 E N -0.456 119.684 120.200 -0.100 0.000 2.415 823 E HA 0.106 4.448 4.350 -0.014 0.000 0.197 823 E C 1.390 177.945 176.600 -0.076 0.000 1.007 823 E CA 0.398 56.743 56.400 -0.093 0.000 0.890 823 E CB 0.576 30.192 29.700 -0.140 0.000 0.891 823 E HN 0.277 nan 8.360 nan 0.000 0.496 824 I N -1.199 119.296 120.570 -0.124 0.000 3.739 824 I HA 0.025 4.187 4.170 -0.014 0.000 0.272 824 I C 1.300 177.566 176.117 0.247 0.000 1.167 824 I CA -0.075 61.214 61.300 -0.019 0.000 1.386 824 I CB 0.257 38.106 38.000 -0.252 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.523 122.915 121.300 0.153 0.000 2.658 825 W HA 0.323 4.974 4.660 -0.014 0.000 0.263 825 W C 1.521 178.078 176.519 0.063 0.000 1.274 825 W CA 0.821 58.239 57.345 0.121 0.000 1.343 825 W CB -1.063 28.456 29.460 0.099 0.000 1.106 825 W HN 0.317 nan 8.180 nan 0.000 0.615 826 G N 1.158 110.101 108.800 0.238 0.000 2.256 826 G HA2 -0.115 3.836 3.960 -0.014 0.000 0.272 826 G HA3 -0.115 3.836 3.960 -0.014 0.000 0.272 826 G C -0.295 174.678 174.900 0.123 0.000 1.076 826 G CA 0.262 45.442 45.100 0.134 0.000 0.882 826 G HN 0.397 nan 8.290 nan 0.000 0.497 827 V N -3.619 116.388 119.914 0.155 0.000 2.962 827 V HA 0.925 5.037 4.120 -0.014 0.000 0.313 827 V C -0.328 175.827 176.094 0.101 0.000 1.099 827 V CA -1.607 60.765 62.300 0.120 0.000 0.971 827 V CB 2.284 34.185 31.823 0.131 0.000 1.028 827 V HN 0.326 nan 8.190 nan 0.000 0.430 828 E N 4.425 124.668 120.200 0.070 0.000 2.134 828 E HA 0.628 4.969 4.350 -0.014 0.000 0.278 828 E C -2.435 174.201 176.600 0.060 0.000 0.959 828 E CA -2.059 54.375 56.400 0.057 0.000 0.783 828 E CB 1.315 31.040 29.700 0.042 0.000 1.095 828 E HN 0.787 nan 8.360 nan 0.000 0.399 829 P HA 0.127 nan 4.420 nan 0.000 0.270 829 P C -0.906 176.423 177.300 0.048 0.000 1.223 829 P CA -0.426 62.708 63.100 0.057 0.000 0.785 829 P CB 1.104 32.834 31.700 0.049 0.000 0.923 830 S N 0.627 116.357 115.700 0.050 0.000 2.575 830 S HA 0.330 4.792 4.470 -0.014 0.000 0.278 830 S C 0.407 175.032 174.600 0.042 0.000 1.139 830 S CA -0.741 57.487 58.200 0.047 0.000 0.954 830 S CB 1.018 64.254 63.200 0.059 0.000 1.054 830 S HN 0.279 nan 8.310 nan 0.000 0.483 831 R N 2.227 122.748 120.500 0.034 0.000 2.334 831 R HA 0.191 4.523 4.340 -0.014 0.000 0.216 831 R C -0.018 176.294 176.300 0.020 0.000 0.905 831 R CA 0.066 56.185 56.100 0.031 0.000 1.064 831 R CB 0.136 30.454 30.300 0.030 0.000 1.046 831 R HN 0.692 nan 8.270 nan 0.000 0.508 832 Q N 1.096 120.907 119.800 0.019 0.000 2.311 832 Q HA 0.073 4.405 4.340 -0.014 0.000 0.272 832 Q C -0.251 175.743 176.000 -0.010 0.000 1.012 832 Q CA 0.271 56.078 55.803 0.006 0.000 0.891 832 Q CB 0.780 29.525 28.738 0.012 0.000 1.201 832 Q HN -0.175 nan 8.270 nan 0.000 0.391 833 R N 1.580 122.065 120.500 -0.025 0.000 2.590 833 R HA 0.193 4.525 4.340 -0.014 0.000 0.274 833 R C -0.402 175.857 176.300 -0.069 0.000 1.061 833 R CA 0.061 56.133 56.100 -0.046 0.000 1.081 833 R CB 0.390 30.661 30.300 -0.048 0.000 0.984 833 R HN 0.494 nan 8.270 nan 0.000 0.448 834 L N 5.171 126.337 121.223 -0.095 0.000 2.399 834 L HA 0.390 4.722 4.340 -0.014 0.000 0.266 834 L C -1.722 175.088 176.870 -0.100 0.000 1.114 834 L CA -2.111 52.643 54.840 -0.142 0.000 0.804 834 L CB 1.124 43.066 42.059 -0.195 0.000 1.146 834 L HN 0.472 nan 8.230 nan 0.000 0.451 835 P HA 0.057 nan 4.420 nan 0.000 0.267 835 P C -0.581 176.688 177.300 -0.051 0.000 1.205 835 P CA -0.201 62.863 63.100 -0.060 0.000 0.765 835 P CB 0.791 32.460 31.700 -0.050 0.000 0.828 836 A N 0.000 122.798 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486