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 1p2b_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 XXLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 EASGTGNMKF 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 0.000 175.985 176.000 -0.026 0.000 1.003 12 Q CA 0.000 55.777 55.803 -0.044 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.236 120.324 120.570 -0.017 0.000 2.460 13 I HA 0.543 4.705 4.170 -0.012 0.000 0.298 13 I C 1.050 177.168 176.117 0.001 0.000 0.989 13 I CA -0.117 61.181 61.300 -0.004 0.000 1.173 13 I CB 1.937 39.939 38.000 0.003 0.000 1.338 13 I HN 0.245 nan 8.210 nan 0.000 0.456 14 S N 4.199 119.904 115.700 0.008 0.000 2.380 14 S HA -0.228 4.235 4.470 -0.012 0.000 0.229 14 S C 1.759 176.368 174.600 0.014 0.000 1.050 14 S CA 2.665 60.872 58.200 0.011 0.000 1.100 14 S CB -0.693 62.519 63.200 0.021 0.000 0.984 14 S HN 0.880 nan 8.310 nan 0.000 0.434 15 V N 0.358 120.288 119.914 0.026 0.000 3.026 15 V HA 0.078 4.191 4.120 -0.012 0.000 0.265 15 V C 1.903 178.009 176.094 0.020 0.000 1.121 15 V CA 1.376 63.693 62.300 0.029 0.000 1.142 15 V CB -1.013 30.835 31.823 0.042 0.000 0.730 15 V HN 0.398 nan 8.190 nan 0.000 0.503 16 R N 1.604 122.108 120.500 0.007 0.000 2.320 16 R HA 0.394 4.727 4.340 -0.012 0.000 0.211 16 R C 1.185 177.477 176.300 -0.014 0.000 0.931 16 R CA 0.717 56.816 56.100 -0.002 0.000 1.071 16 R CB -0.462 29.833 30.300 -0.008 0.000 1.025 16 R HN 0.818 nan 8.270 nan 0.000 0.495 17 G N 1.048 109.839 108.800 -0.015 0.000 2.728 17 G HA2 -0.249 3.703 3.960 -0.012 0.000 0.294 17 G HA3 -0.249 3.703 3.960 -0.012 0.000 0.294 17 G C -0.907 173.976 174.900 -0.028 0.000 1.342 17 G CA -0.916 44.166 45.100 -0.029 0.000 0.866 17 G HN 0.076 nan 8.290 nan 0.000 0.534 18 L N 0.413 121.615 121.223 -0.034 0.000 2.379 18 L HA 0.715 5.048 4.340 -0.012 0.000 0.269 18 L C 1.142 177.994 176.870 -0.030 0.000 1.084 18 L CA 0.479 55.301 54.840 -0.029 0.000 0.802 18 L CB 1.622 43.664 42.059 -0.028 0.000 1.175 18 L HN 1.514 nan 8.230 nan 0.000 0.448 19 A N 1.733 124.539 122.820 -0.023 0.000 3.047 19 A HA 0.643 4.956 4.320 -0.012 0.000 0.337 19 A C 0.445 178.021 177.584 -0.012 0.000 1.143 19 A CA -0.337 51.689 52.037 -0.019 0.000 0.905 19 A CB -0.515 18.474 19.000 -0.018 0.000 1.088 19 A HN 0.725 nan 8.150 nan 0.000 0.488 20 G N -0.317 108.476 108.800 -0.013 0.000 2.491 20 G HA2 0.334 4.287 3.960 -0.012 0.000 0.242 20 G HA3 0.334 4.287 3.960 -0.012 0.000 0.242 20 G C 1.105 176.006 174.900 0.001 0.000 1.266 20 G CA 0.307 45.403 45.100 -0.006 0.000 0.844 20 G HN 0.889 nan 8.290 nan 0.000 0.571 21 V N 1.211 121.127 119.914 0.004 0.000 2.332 21 V HA -0.157 3.956 4.120 -0.012 0.000 0.248 21 V C 2.410 178.512 176.094 0.013 0.000 1.055 21 V CA 2.760 65.066 62.300 0.009 0.000 1.038 21 V CB -0.450 31.378 31.823 0.008 0.000 0.651 21 V HN 0.893 nan 8.190 nan 0.000 0.450 22 E N -0.178 120.030 120.200 0.013 0.000 2.072 22 E HA -0.198 4.145 4.350 -0.012 0.000 0.191 22 E C 2.067 178.685 176.600 0.029 0.000 0.985 22 E CA 1.537 57.949 56.400 0.021 0.000 0.801 22 E CB -0.242 29.469 29.700 0.018 0.000 0.750 22 E HN 0.745 nan 8.360 nan 0.000 0.452 23 N N 0.204 118.918 118.700 0.022 0.000 2.084 23 N HA -0.151 4.582 4.740 -0.012 0.000 0.190 23 N C 1.969 177.499 175.510 0.035 0.000 1.030 23 N CA 1.055 54.120 53.050 0.025 0.000 0.849 23 N CB 0.108 38.591 38.487 -0.006 0.000 1.012 23 N HN -0.064 nan 8.380 nan 0.000 0.423 24 V N 0.980 120.907 119.914 0.022 0.000 2.343 24 V HA -0.224 3.889 4.120 -0.012 0.000 0.247 24 V C 2.186 178.301 176.094 0.035 0.000 1.051 24 V CA 1.756 64.071 62.300 0.024 0.000 1.036 24 V CB -0.821 31.011 31.823 0.016 0.000 0.654 24 V HN 0.405 nan 8.190 nan 0.000 0.451 25 T N -0.695 113.879 114.554 0.034 0.000 2.746 25 T HA -0.222 4.121 4.350 -0.012 0.000 0.267 25 T C 1.927 176.661 174.700 0.056 0.000 1.039 25 T CA 1.789 63.911 62.100 0.036 0.000 1.142 25 T CB -0.196 68.690 68.868 0.029 0.000 0.866 25 T HN 0.427 nan 8.240 nan 0.000 0.444 26 E N 0.699 120.940 120.200 0.069 0.000 2.106 26 E HA 0.049 4.392 4.350 -0.012 0.000 0.192 26 E C 2.070 178.749 176.600 0.132 0.000 0.984 26 E CA 0.609 57.065 56.400 0.093 0.000 0.806 26 E CB -0.387 29.375 29.700 0.104 0.000 0.750 26 E HN 0.416 nan 8.360 nan 0.000 0.458 27 L N 0.366 121.674 121.223 0.142 0.000 2.046 27 L HA -0.200 4.133 4.340 -0.012 0.000 0.208 27 L C 2.291 179.271 176.870 0.182 0.000 1.077 27 L CA 1.328 56.279 54.840 0.185 0.000 0.747 27 L CB -0.367 41.776 42.059 0.139 0.000 0.896 27 L HN 0.088 nan 8.230 nan 0.000 0.432 28 K N 0.089 120.555 120.400 0.110 0.000 2.057 28 K HA -0.226 4.087 4.320 -0.012 0.000 0.207 28 K C 2.130 178.832 176.600 0.170 0.000 1.049 28 K CA 1.206 57.550 56.287 0.095 0.000 0.931 28 K CB -0.147 32.367 32.500 0.023 0.000 0.714 28 K HN 0.217 nan 8.250 nan 0.000 0.440 29 K N 1.219 121.697 120.400 0.131 0.000 2.026 29 K HA -0.145 4.168 4.320 -0.012 0.000 0.208 29 K C 1.802 178.490 176.600 0.147 0.000 1.048 29 K CA 1.405 57.763 56.287 0.118 0.000 0.929 29 K CB 0.011 32.559 32.500 0.080 0.000 0.713 29 K HN 0.075 nan 8.250 nan 0.000 0.439 30 N N 0.151 118.950 118.700 0.165 0.000 2.244 30 N HA -0.153 4.579 4.740 -0.012 0.000 0.183 30 N C 1.651 177.320 175.510 0.265 0.000 1.016 30 N CA 0.919 54.066 53.050 0.163 0.000 0.866 30 N CB -0.227 38.362 38.487 0.170 0.000 0.980 30 N HN 0.203 nan 8.380 nan 0.000 0.430 31 F N 2.436 122.484 119.950 0.163 0.000 2.102 31 F HA -0.073 4.447 4.527 -0.012 0.000 0.298 31 F C 1.977 177.879 175.800 0.170 0.000 1.105 31 F CA 1.228 59.337 58.000 0.182 0.000 1.239 31 F CB -0.122 38.957 39.000 0.131 0.000 0.991 31 F HN -0.029 nan 8.300 nan 0.000 0.474 32 N N 0.297 119.210 118.700 0.354 0.000 2.270 32 N HA -0.142 4.591 4.740 -0.012 0.000 0.181 32 N C 2.072 177.650 175.510 0.113 0.000 1.016 32 N CA 0.640 53.820 53.050 0.216 0.000 0.870 32 N CB -0.457 38.141 38.487 0.185 0.000 0.979 32 N HN 0.337 nan 8.380 nan 0.000 0.431 33 R N 0.539 121.110 120.500 0.119 0.000 2.066 33 R HA -0.074 4.259 4.340 -0.012 0.000 0.232 33 R C 1.562 177.934 176.300 0.120 0.000 1.131 33 R CA 1.299 57.494 56.100 0.158 0.000 0.955 33 R CB -0.257 30.082 30.300 0.065 0.000 0.851 33 R HN 0.396 nan 8.270 nan 0.000 0.432 34 H N -0.200 118.905 119.070 0.059 0.000 2.389 34 H HA -0.119 4.430 4.556 -0.012 0.000 0.299 34 H C 1.864 177.124 175.328 -0.114 0.000 1.081 34 H CA 1.429 57.449 56.048 -0.048 0.000 1.345 34 H CB 0.064 29.761 29.762 -0.110 0.000 1.393 34 H HN 0.081 nan 8.280 nan 0.000 0.520 35 L N -0.037 121.163 121.223 -0.039 0.000 2.083 35 L HA -0.188 4.145 4.340 -0.012 0.000 0.209 35 L C 2.172 179.016 176.870 -0.044 0.000 1.083 35 L CA 1.833 56.620 54.840 -0.089 0.000 0.752 35 L CB -0.400 41.608 42.059 -0.086 0.000 0.899 35 L HN 0.301 nan 8.230 nan 0.000 0.433 36 H N -1.633 117.348 119.070 -0.148 0.000 2.276 36 H HA -0.047 4.501 4.556 -0.012 0.000 0.307 36 H C 1.797 176.923 175.328 -0.336 0.000 1.061 36 H CA 2.247 58.119 56.048 -0.294 0.000 1.336 36 H CB -0.330 29.157 29.762 -0.458 0.000 1.396 36 H HN 0.276 nan 8.280 nan 0.000 0.503 37 F N -0.189 119.720 119.950 -0.068 0.000 2.234 37 F HA -0.045 4.474 4.527 -0.012 0.000 0.296 37 F C 2.633 178.343 175.800 -0.151 0.000 1.089 37 F CA 1.492 59.404 58.000 -0.145 0.000 1.343 37 F CB -0.538 38.415 39.000 -0.078 0.000 1.040 37 F HN 0.192 nan 8.300 nan 0.000 0.498 38 T N 0.055 114.635 114.554 0.043 0.000 2.814 38 T HA 0.021 4.364 4.350 -0.012 0.000 0.254 38 T C 1.793 176.402 174.700 -0.152 0.000 1.037 38 T CA 0.749 62.805 62.100 -0.074 0.000 1.143 38 T CB -0.150 68.652 68.868 -0.110 0.000 0.866 38 T HN -0.052 nan 8.240 nan 0.000 0.431 39 L N 1.158 122.292 121.223 -0.149 0.000 2.509 39 L HA 0.249 4.582 4.340 -0.012 0.000 0.222 39 L C 0.759 177.537 176.870 -0.155 0.000 1.123 39 L CA 0.406 55.148 54.840 -0.163 0.000 0.856 39 L CB -1.201 40.769 42.059 -0.148 0.000 0.985 39 L HN 0.083 nan 8.230 nan 0.000 0.456 40 V N 0.665 120.474 119.914 -0.174 0.000 6.016 40 V HA -0.293 3.820 4.120 -0.012 0.000 0.265 40 V C 0.532 176.524 176.094 -0.171 0.000 0.621 40 V CA 1.008 63.180 62.300 -0.213 0.000 0.592 40 V CB -1.943 29.777 31.823 -0.171 0.000 0.298 40 V HN 0.459 nan 8.190 nan 0.000 0.615 41 K N 0.800 121.109 120.400 -0.152 0.000 2.439 41 K HA 0.771 5.083 4.320 -0.012 0.000 0.260 41 K C -0.571 176.002 176.600 -0.045 0.000 1.032 41 K CA -0.392 55.835 56.287 -0.100 0.000 0.882 41 K CB 2.726 35.158 32.500 -0.112 0.000 1.420 41 K HN 0.551 nan 8.250 nan 0.000 0.455 42 D N -1.360 119.030 120.400 -0.017 0.000 2.523 42 D HA 0.326 4.959 4.640 -0.012 0.000 0.236 42 D C 0.544 176.875 176.300 0.051 0.000 1.094 42 D CA -0.769 53.251 54.000 0.034 0.000 0.942 42 D CB 1.144 41.961 40.800 0.028 0.000 1.447 42 D HN 0.108 nan 8.370 nan 0.000 0.479 43 R N 0.469 121.031 120.500 0.103 0.000 2.303 43 R HA -0.044 4.288 4.340 -0.012 0.000 0.225 43 R C 0.432 176.806 176.300 0.123 0.000 1.114 43 R CA 0.603 56.803 56.100 0.168 0.000 1.007 43 R CB -0.614 29.784 30.300 0.162 0.000 0.861 43 R HN 0.534 nan 8.270 nan 0.000 0.471 44 N N 0.120 118.859 118.700 0.066 0.000 2.424 44 N HA -0.053 4.680 4.740 -0.012 0.000 0.178 44 N C 1.593 177.119 175.510 0.027 0.000 1.060 44 N CA 0.955 54.033 53.050 0.046 0.000 0.901 44 N CB 0.520 39.025 38.487 0.029 0.000 0.979 44 N HN 0.211 nan 8.380 nan 0.000 0.451 45 V N -2.996 116.921 119.914 0.005 0.000 3.604 45 V HA 0.509 4.622 4.120 -0.012 0.000 0.277 45 V C 0.933 176.990 176.094 -0.061 0.000 1.399 45 V CA -0.439 61.849 62.300 -0.020 0.000 1.034 45 V CB -0.319 31.487 31.823 -0.028 0.000 0.824 45 V HN 0.029 nan 8.190 nan 0.000 0.439 46 A N 2.259 125.016 122.820 -0.105 0.000 2.483 46 A HA 0.555 4.868 4.320 -0.012 0.000 0.238 46 A C 0.701 178.105 177.584 -0.301 0.000 1.070 46 A CA 0.942 52.801 52.037 -0.296 0.000 0.770 46 A CB -0.181 18.494 19.000 -0.541 0.000 1.008 46 A HN 0.909 nan 8.150 nan 0.000 0.497 47 T N -0.578 113.778 114.554 -0.331 0.000 2.940 47 T HA 0.616 4.959 4.350 -0.012 0.000 0.288 47 T C -2.283 172.338 174.700 -0.132 0.000 1.045 47 T CA -1.739 60.275 62.100 -0.142 0.000 1.018 47 T CB 1.437 70.273 68.868 -0.054 0.000 1.151 47 T HN 0.223 nan 8.240 nan 0.000 0.529 48 P HA -0.142 nan 4.420 nan 0.000 0.216 48 P C 1.659 179.082 177.300 0.205 0.000 1.150 48 P CA 0.973 64.228 63.100 0.259 0.000 0.843 48 P CB 0.052 31.859 31.700 0.178 0.000 0.787 49 R N 0.423 120.986 120.500 0.104 0.000 2.083 49 R HA -0.159 4.174 4.340 -0.012 0.000 0.237 49 R C 1.767 178.228 176.300 0.268 0.000 1.137 49 R CA 2.077 58.269 56.100 0.153 0.000 0.951 49 R CB -1.560 28.755 30.300 0.024 0.000 0.851 49 R HN 0.098 nan 8.270 nan 0.000 0.434 50 D N -0.753 119.683 120.400 0.061 0.000 2.144 50 D HA -0.175 4.458 4.640 -0.012 0.000 0.199 50 D C 1.761 178.074 176.300 0.021 0.000 0.984 50 D CA 1.315 55.304 54.000 -0.017 0.000 0.834 50 D CB -0.288 40.356 40.800 -0.259 0.000 0.955 50 D HN 0.296 nan 8.370 nan 0.000 0.465 51 Y N -0.025 120.377 120.300 0.170 0.000 2.242 51 Y HA -0.189 4.354 4.550 -0.012 0.000 0.291 51 Y C 2.304 178.331 175.900 0.212 0.000 1.137 51 Y CA 0.287 58.524 58.100 0.227 0.000 1.181 51 Y CB -1.117 37.536 38.460 0.321 0.000 0.989 51 Y HN 0.082 nan 8.280 nan 0.000 0.527 52 Y N -0.493 119.955 120.300 0.247 0.000 2.128 52 Y HA -0.282 4.261 4.550 -0.012 0.000 0.284 52 Y C 1.933 177.813 175.900 -0.034 0.000 1.154 52 Y CA 1.268 59.414 58.100 0.076 0.000 1.149 52 Y CB -1.146 37.265 38.460 -0.081 0.000 0.976 52 Y HN 0.051 nan 8.280 nan 0.000 0.505 53 F N 0.202 119.912 119.950 -0.400 0.000 2.186 53 F HA -0.113 4.407 4.527 -0.012 0.000 0.299 53 F C 2.635 178.261 175.800 -0.289 0.000 1.090 53 F CA 1.275 58.990 58.000 -0.476 0.000 1.307 53 F CB -0.774 38.133 39.000 -0.155 0.000 1.019 53 F HN 0.205 nan 8.300 nan 0.000 0.489 54 A N -0.167 122.597 122.820 -0.093 0.000 1.902 54 A HA -0.183 4.130 4.320 -0.012 0.000 0.217 54 A C 2.055 179.516 177.584 -0.205 0.000 1.181 54 A CA 1.588 53.446 52.037 -0.298 0.000 0.623 54 A CB -1.010 17.470 19.000 -0.865 0.000 0.818 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -0.277 120.946 121.223 0.000 0.000 2.056 55 L HA -0.001 4.332 4.340 -0.012 0.000 0.207 55 L C 2.639 179.503 176.870 -0.011 0.000 1.078 55 L CA 2.117 57.085 54.840 0.213 0.000 0.749 55 L CB -0.900 41.351 42.059 0.320 0.000 0.901 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.090 121.545 122.820 -0.309 0.000 1.883 56 A HA -0.285 4.028 4.320 -0.012 0.000 0.217 56 A C 2.152 179.402 177.584 -0.555 0.000 1.186 56 A CA 2.036 53.772 52.037 -0.502 0.000 0.624 56 A CB -1.144 17.209 19.000 -1.078 0.000 0.822 56 A HN 0.672 nan 8.150 nan 0.000 0.444 57 H N -0.779 117.979 119.070 -0.520 0.000 2.421 57 H HA -0.055 4.494 4.556 -0.012 0.000 0.298 57 H C 2.303 177.355 175.328 -0.460 0.000 1.087 57 H CA 1.902 57.575 56.048 -0.626 0.000 1.330 57 H CB -0.148 28.984 29.762 -1.050 0.000 1.388 57 H HN 0.473 nan 8.280 nan 0.000 0.526 58 T N -0.427 114.056 114.554 -0.118 0.000 2.737 58 T HA -0.124 4.219 4.350 -0.012 0.000 0.265 58 T C 2.266 177.092 174.700 0.209 0.000 1.038 58 T CA 1.307 63.500 62.100 0.154 0.000 1.144 58 T CB -0.367 68.674 68.868 0.288 0.000 0.866 58 T HN 0.098 nan 8.240 nan 0.000 0.434 59 V N 1.640 121.683 119.914 0.215 0.000 2.358 59 V HA -0.132 3.980 4.120 -0.012 0.000 0.246 59 V C 2.624 178.893 176.094 0.291 0.000 1.047 59 V CA 1.646 64.135 62.300 0.315 0.000 1.035 59 V CB -0.642 31.363 31.823 0.303 0.000 0.658 59 V HN 0.380 nan 8.190 nan 0.000 0.452 60 R N 0.248 120.871 120.500 0.204 0.000 2.103 60 R HA -0.238 4.094 4.340 -0.012 0.000 0.242 60 R C 1.974 178.363 176.300 0.149 0.000 1.142 60 R CA 2.261 58.477 56.100 0.195 0.000 0.960 60 R CB -0.464 29.808 30.300 -0.047 0.000 0.858 60 R HN 0.482 nan 8.270 nan 0.000 0.439 61 D N 0.005 120.458 120.400 0.089 0.000 2.116 61 D HA -0.185 4.448 4.640 -0.012 0.000 0.193 61 D C 1.796 178.091 176.300 -0.009 0.000 0.998 61 D CA 1.276 55.295 54.000 0.031 0.000 0.836 61 D CB -0.546 40.236 40.800 -0.030 0.000 0.951 61 D HN 0.452 nan 8.370 nan 0.000 0.449 62 H N -0.540 118.596 119.070 0.110 0.000 2.518 62 H HA -0.063 4.486 4.556 -0.012 0.000 0.289 62 H C 2.001 177.373 175.328 0.074 0.000 1.051 62 H CA 0.398 56.494 56.048 0.081 0.000 1.280 62 H CB 0.128 29.930 29.762 0.065 0.000 1.380 62 H HN 0.123 nan 8.280 nan 0.000 0.566 63 L N 0.760 122.095 121.223 0.186 0.000 2.202 63 L HA -0.081 4.251 4.340 -0.012 0.000 0.205 63 L C 2.672 179.654 176.870 0.187 0.000 1.083 63 L CA 0.706 55.626 54.840 0.134 0.000 0.790 63 L CB -0.524 41.591 42.059 0.094 0.000 0.942 63 L HN 0.094 nan 8.230 nan 0.000 0.452 64 V N -2.569 117.482 119.914 0.228 0.000 2.332 64 V HA -0.141 3.972 4.120 -0.012 0.000 0.248 64 V C 2.319 178.537 176.094 0.206 0.000 1.055 64 V CA 1.888 64.364 62.300 0.292 0.000 1.038 64 V CB -2.107 29.843 31.823 0.212 0.000 0.651 64 V HN 0.373 nan 8.190 nan 0.000 0.450 65 G N 0.396 109.274 108.800 0.130 0.000 2.446 65 G HA2 -0.239 3.714 3.960 -0.012 0.000 0.217 65 G HA3 -0.239 3.714 3.960 -0.012 0.000 0.217 65 G C 1.775 176.729 174.900 0.090 0.000 1.168 65 G CA 1.024 46.175 45.100 0.085 0.000 0.771 65 G HN 0.558 nan 8.290 nan 0.000 0.551 66 R N -1.461 119.102 120.500 0.105 0.000 2.092 66 R HA -0.055 4.277 4.340 -0.012 0.000 0.231 66 R C 2.268 178.655 176.300 0.144 0.000 1.119 66 R CA 1.016 57.164 56.100 0.080 0.000 0.970 66 R CB -0.352 29.977 30.300 0.049 0.000 0.864 66 R HN 0.472 nan 8.270 nan 0.000 0.440 67 W N 1.805 123.091 121.300 -0.024 0.000 2.355 67 W HA -0.070 4.583 4.660 -0.012 0.000 0.309 67 W C 1.692 178.190 176.519 -0.034 0.000 1.206 67 W CA 0.896 58.224 57.345 -0.027 0.000 1.284 67 W CB -0.523 28.938 29.460 0.003 0.000 1.145 67 W HN -0.048 nan 8.180 nan 0.000 0.502 68 I N 1.013 121.645 120.570 0.104 0.000 2.252 68 I HA -0.315 3.848 4.170 -0.012 0.000 0.245 68 I C 2.638 178.743 176.117 -0.020 0.000 1.102 68 I CA 1.870 63.145 61.300 -0.042 0.000 1.385 68 I CB -0.571 37.407 38.000 -0.037 0.000 1.064 68 I HN -0.021 nan 8.210 nan 0.000 0.414 69 R N 0.153 120.656 120.500 0.004 0.000 2.153 69 R HA -0.013 4.320 4.340 -0.012 0.000 0.218 69 R C 1.919 178.191 176.300 -0.047 0.000 1.072 69 R CA 1.293 57.386 56.100 -0.012 0.000 0.990 69 R CB -1.083 29.208 30.300 -0.015 0.000 0.889 69 R HN 0.155 nan 8.270 nan 0.000 0.452 70 T N 1.657 116.165 114.554 -0.077 0.000 2.674 70 T HA -0.101 4.242 4.350 -0.012 0.000 0.265 70 T C 1.800 176.255 174.700 -0.407 0.000 1.039 70 T CA 1.316 63.268 62.100 -0.247 0.000 1.150 70 T CB -0.118 68.639 68.868 -0.185 0.000 0.864 70 T HN 0.217 nan 8.240 nan 0.000 0.427 71 Q N 0.742 120.445 119.800 -0.162 0.000 2.170 71 Q HA -0.083 4.249 4.340 -0.012 0.000 0.203 71 Q C 2.312 178.336 176.000 0.041 0.000 0.976 71 Q CA 1.250 57.035 55.803 -0.031 0.000 0.858 71 Q CB -0.445 28.303 28.738 0.016 0.000 0.907 71 Q HN 0.478 nan 8.270 nan 0.000 0.433 72 Q N -0.041 119.771 119.800 0.020 0.000 2.079 72 Q HA -0.165 4.168 4.340 -0.012 0.000 0.200 72 Q C 1.914 178.006 176.000 0.153 0.000 0.974 72 Q CA 1.782 57.644 55.803 0.099 0.000 0.840 72 Q CB -0.378 28.398 28.738 0.063 0.000 0.898 72 Q HN 0.520 nan 8.270 nan 0.000 0.430 73 H N -0.815 118.227 119.070 -0.047 0.000 2.319 73 H HA -0.187 4.362 4.556 -0.012 0.000 0.299 73 H C 1.159 176.543 175.328 0.093 0.000 1.092 73 H CA 2.266 58.292 56.048 -0.037 0.000 1.302 73 H CB -0.379 29.288 29.762 -0.158 0.000 1.373 73 H HN 0.359 nan 8.280 nan 0.000 0.497 74 Y N -1.149 119.159 120.300 0.013 0.000 2.333 74 Y HA -0.164 4.379 4.550 -0.012 0.000 0.290 74 Y C 2.368 178.286 175.900 0.030 0.000 1.144 74 Y CA 0.983 59.060 58.100 -0.038 0.000 1.228 74 Y CB -1.216 37.290 38.460 0.077 0.000 0.985 74 Y HN 0.359 nan 8.280 nan 0.000 0.542 75 Y N 1.182 121.555 120.300 0.123 0.000 2.263 75 Y HA -0.127 4.415 4.550 -0.012 0.000 0.292 75 Y C 2.004 177.916 175.900 0.020 0.000 1.130 75 Y CA 1.331 59.471 58.100 0.066 0.000 1.179 75 Y CB -0.026 38.464 38.460 0.051 0.000 0.998 75 Y HN 0.004 nan 8.280 nan 0.000 0.532 76 E N 0.379 120.543 120.200 -0.060 0.000 2.016 76 E HA -0.150 4.193 4.350 -0.012 0.000 0.190 76 E C 2.041 178.544 176.600 -0.161 0.000 0.985 76 E CA 1.223 57.538 56.400 -0.141 0.000 0.802 76 E CB -0.347 29.346 29.700 -0.012 0.000 0.762 76 E HN 0.217 nan 8.360 nan 0.000 0.448 77 K N 0.855 121.159 120.400 -0.160 0.000 2.211 77 K HA -0.100 4.213 4.320 -0.012 0.000 0.203 77 K C 0.025 176.558 176.600 -0.111 0.000 1.050 77 K CA 0.812 57.009 56.287 -0.151 0.000 0.945 77 K CB -0.463 31.884 32.500 -0.254 0.000 0.732 77 K HN 0.118 nan 8.250 nan 0.000 0.451 78 D N -0.249 120.094 120.400 -0.094 0.000 2.735 78 D HA -0.125 4.507 4.640 -0.012 0.000 0.235 78 D C -2.319 173.948 176.300 -0.054 0.000 1.175 78 D CA 0.173 54.133 54.000 -0.066 0.000 0.683 78 D CB -0.191 40.544 40.800 -0.108 0.000 1.008 78 D HN 0.180 nan 8.370 nan 0.000 0.416 79 P HA 0.122 nan 4.420 nan 0.000 0.277 79 P C -0.212 177.042 177.300 -0.076 0.000 1.271 79 P CA -0.670 62.389 63.100 -0.070 0.000 0.795 79 P CB 0.659 32.305 31.700 -0.090 0.000 1.101 80 K N 0.947 121.306 120.400 -0.068 0.000 2.412 80 K HA 0.064 4.377 4.320 -0.012 0.000 0.281 80 K C -0.050 176.464 176.600 -0.143 0.000 1.027 80 K CA -0.043 56.199 56.287 -0.075 0.000 0.989 80 K CB 0.219 32.691 32.500 -0.046 0.000 0.935 80 K HN 0.233 nan 8.250 nan 0.000 0.475 81 R N 3.683 124.084 120.500 -0.165 0.000 2.312 81 R HA 0.335 4.668 4.340 -0.012 0.000 0.311 81 R C -0.564 175.459 176.300 -0.462 0.000 1.004 81 R CA -0.448 55.469 56.100 -0.304 0.000 0.902 81 R CB 0.782 30.896 30.300 -0.309 0.000 1.073 81 R HN 0.499 nan 8.270 nan 0.000 0.457 82 I N 4.622 124.866 120.570 -0.543 0.000 2.336 82 I HA 0.217 4.380 4.170 -0.012 0.000 0.292 82 I C -0.627 175.156 176.117 -0.557 0.000 0.991 82 I CA -0.788 60.140 61.300 -0.621 0.000 1.227 82 I CB 0.877 38.405 38.000 -0.786 0.000 1.366 82 I HN 0.531 nan 8.210 nan 0.000 0.466 83 Y N 5.920 126.171 120.300 -0.081 0.000 2.356 83 Y HA 0.291 4.834 4.550 -0.012 0.000 0.334 83 Y C -0.326 175.673 175.900 0.166 0.000 0.958 83 Y CA -0.728 57.453 58.100 0.135 0.000 1.196 83 Y CB 1.192 39.699 38.460 0.079 0.000 1.137 83 Y HN 0.391 nan 8.280 nan 0.000 0.485 84 Y N 4.593 125.071 120.300 0.297 0.000 2.518 84 Y HA 0.475 5.018 4.550 -0.012 0.000 0.344 84 Y C -1.238 174.923 175.900 0.435 0.000 0.982 84 Y CA -1.016 57.270 58.100 0.311 0.000 1.234 84 Y CB 0.295 38.945 38.460 0.317 0.000 1.114 84 Y HN 0.500 nan 8.280 nan 0.000 0.515 85 L N 5.036 126.307 121.223 0.080 0.000 2.265 85 L HA 0.470 4.803 4.340 -0.012 0.000 0.288 85 L C -0.135 176.739 176.870 0.007 0.000 1.058 85 L CA 0.120 55.058 54.840 0.162 0.000 0.809 85 L CB 1.203 43.332 42.059 0.116 0.000 1.179 85 L HN 0.567 nan 8.230 nan 0.000 0.429 86 S N 2.490 118.261 115.700 0.118 0.000 2.541 86 S HA 0.522 4.985 4.470 -0.012 0.000 0.271 86 S C 0.159 174.808 174.600 0.083 0.000 1.133 86 S CA -0.511 57.658 58.200 -0.051 0.000 0.876 86 S CB 1.035 64.000 63.200 -0.392 0.000 1.105 86 S HN 0.454 nan 8.310 nan 0.000 0.470 87 L N 2.837 124.167 121.223 0.179 0.000 2.591 87 L HA 0.464 4.797 4.340 -0.012 0.000 0.228 87 L C 0.232 177.295 176.870 0.321 0.000 1.133 87 L CA 0.898 55.922 54.840 0.307 0.000 0.880 87 L CB -0.151 42.124 42.059 0.361 0.000 1.033 87 L HN 0.650 nan 8.230 nan 0.000 0.450 88 E N -1.258 118.988 120.200 0.077 0.000 2.308 88 E HA 0.411 4.754 4.350 -0.012 0.000 0.275 88 E C -1.363 175.094 176.600 -0.239 0.000 0.890 88 E CA -0.447 55.987 56.400 0.056 0.000 0.754 88 E CB 1.923 31.646 29.700 0.039 0.000 1.207 88 E HN -0.159 nan 8.360 nan 0.000 0.426 89 F N 2.069 122.132 119.950 0.188 0.000 2.949 89 F HA 0.160 4.679 4.527 -0.012 0.000 0.376 89 F C -0.861 175.033 175.800 0.157 0.000 1.205 89 F CA -0.747 57.355 58.000 0.170 0.000 1.155 89 F CB 0.915 40.008 39.000 0.155 0.000 1.495 89 F HN 0.497 nan 8.300 nan 0.000 0.551 90 Y N 4.958 125.343 120.300 0.140 0.000 2.570 90 Y HA 0.153 4.696 4.550 -0.011 0.000 0.336 90 Y C 1.185 177.114 175.900 0.049 0.000 1.284 90 Y CA -0.839 57.293 58.100 0.054 0.000 1.761 90 Y CB 0.182 38.657 38.460 0.025 0.000 1.724 90 Y HN 0.525 nan 8.280 nan 0.000 0.455 91 M N 1.059 120.795 119.600 0.226 0.000 2.200 91 M HA 0.073 4.546 4.480 -0.012 0.000 0.265 91 M C 1.620 177.904 176.300 -0.027 0.000 1.066 91 M CA 1.212 56.556 55.300 0.072 0.000 1.127 91 M CB -1.325 31.295 32.600 0.033 0.000 1.379 91 M HN 0.646 nan 8.290 nan 0.000 0.420 92 G N 0.885 109.678 108.800 -0.011 0.000 2.553 92 G HA2 -0.255 3.697 3.960 -0.012 0.000 0.242 92 G HA3 -0.255 3.697 3.960 -0.012 0.000 0.242 92 G C -0.351 174.509 174.900 -0.068 0.000 1.277 92 G CA -0.342 44.712 45.100 -0.077 0.000 0.910 92 G HN 0.437 nan 8.290 nan 0.000 0.576 93 R N -0.187 120.252 120.500 -0.102 0.000 2.531 93 R HA 0.561 4.894 4.340 -0.012 0.000 0.273 93 R C 1.510 177.693 176.300 -0.194 0.000 1.070 93 R CA 0.318 56.366 56.100 -0.087 0.000 1.112 93 R CB 0.986 31.240 30.300 -0.076 0.000 1.049 93 R HN 0.866 nan 8.270 nan 0.000 0.508 94 T N -0.377 114.000 114.554 -0.295 0.000 3.003 94 T HA 0.013 4.356 4.350 -0.012 0.000 0.261 94 T C 1.387 175.691 174.700 -0.661 0.000 1.003 94 T CA -0.222 61.521 62.100 -0.594 0.000 0.917 94 T CB 0.201 68.477 68.868 -0.987 0.000 1.084 94 T HN 0.341 nan 8.240 nan 0.000 0.522 95 L N 1.780 122.835 121.223 -0.280 0.000 1.976 95 L HA 0.081 4.414 4.340 -0.012 0.000 0.209 95 L C 2.630 179.464 176.870 -0.059 0.000 1.071 95 L CA 2.166 57.003 54.840 -0.005 0.000 0.746 95 L CB -0.979 41.297 42.059 0.361 0.000 0.890 95 L HN 0.358 nan 8.230 nan 0.000 0.432 96 Q N -0.773 118.993 119.800 -0.055 0.000 2.084 96 Q HA -0.246 4.087 4.340 -0.012 0.000 0.202 96 Q C 2.208 178.140 176.000 -0.114 0.000 0.978 96 Q CA 1.733 57.497 55.803 -0.064 0.000 0.844 96 Q CB -0.297 28.400 28.738 -0.068 0.000 0.898 96 Q HN 0.687 nan 8.270 nan 0.000 0.426 97 N N -0.818 117.775 118.700 -0.178 0.000 2.149 97 N HA -0.138 4.595 4.740 -0.012 0.000 0.188 97 N C 1.325 176.732 175.510 -0.173 0.000 1.019 97 N CA 1.745 54.681 53.050 -0.191 0.000 0.857 97 N CB 0.084 38.424 38.487 -0.246 0.000 0.997 97 N HN 0.210 nan 8.380 nan 0.000 0.426 98 T N 1.210 115.629 114.554 -0.225 0.000 2.777 98 T HA -0.018 4.325 4.350 -0.012 0.000 0.266 98 T C 2.083 176.726 174.700 -0.096 0.000 1.040 98 T CA 0.954 62.938 62.100 -0.192 0.000 1.141 98 T CB -0.033 68.675 68.868 -0.267 0.000 0.868 98 T HN 0.257 nan 8.240 nan 0.000 0.444 99 M N 0.647 120.208 119.600 -0.065 0.000 2.117 99 M HA -0.085 4.388 4.480 -0.012 0.000 0.262 99 M C 2.470 178.742 176.300 -0.046 0.000 1.065 99 M CA 1.243 56.521 55.300 -0.037 0.000 1.114 99 M CB -0.684 31.910 32.600 -0.010 0.000 1.361 99 M HN 0.097 nan 8.290 nan 0.000 0.408 100 V N 1.066 120.956 119.914 -0.040 0.000 2.287 100 V HA -0.274 3.839 4.120 -0.012 0.000 0.248 100 V C 1.896 178.002 176.094 0.020 0.000 1.053 100 V CA 1.839 64.139 62.300 0.000 0.000 1.027 100 V CB -0.871 30.953 31.823 0.002 0.000 0.646 100 V HN 0.486 nan 8.190 nan 0.000 0.447 101 N N -0.243 118.456 118.700 -0.002 0.000 2.453 101 N HA -0.050 4.683 4.740 -0.012 0.000 0.183 101 N C 1.111 176.529 175.510 -0.153 0.000 1.041 101 N CA 0.825 53.856 53.050 -0.032 0.000 0.900 101 N CB -0.022 38.453 38.487 -0.020 0.000 0.961 101 N HN 0.308 nan 8.380 nan 0.000 0.443 102 L N -0.040 121.111 121.223 -0.120 0.000 2.693 102 L HA 0.377 4.710 4.340 -0.012 0.000 0.235 102 L C 0.644 177.432 176.870 -0.137 0.000 1.127 102 L CA -0.272 54.493 54.840 -0.125 0.000 0.914 102 L CB -0.599 41.410 42.059 -0.083 0.000 1.193 102 L HN 0.065 nan 8.230 nan 0.000 0.502 103 A N -0.424 122.316 122.820 -0.134 0.000 2.791 103 A HA -0.230 4.083 4.320 -0.012 0.000 0.292 103 A C 1.116 178.643 177.584 -0.095 0.000 1.487 103 A CA 1.045 53.014 52.037 -0.112 0.000 0.760 103 A CB -1.904 17.015 19.000 -0.137 0.000 1.031 103 A HN 0.251 nan 8.150 nan 0.000 0.503 104 L N -1.044 120.127 121.223 -0.087 0.000 2.693 104 L HA 0.263 4.596 4.340 -0.012 0.000 0.235 104 L C 1.781 178.622 176.870 -0.049 0.000 1.127 104 L CA 1.476 56.262 54.840 -0.090 0.000 0.914 104 L CB -0.129 41.859 42.059 -0.117 0.000 1.193 104 L HN 0.600 nan 8.230 nan 0.000 0.502 105 E N 0.107 120.286 120.200 -0.035 0.000 2.049 105 E HA -0.271 4.072 4.350 -0.012 0.000 0.198 105 E C 1.695 178.286 176.600 -0.015 0.000 1.007 105 E CA 2.135 58.524 56.400 -0.017 0.000 0.809 105 E CB 0.040 29.730 29.700 -0.015 0.000 0.749 105 E HN 0.579 nan 8.360 nan 0.000 0.450 106 N N -0.792 117.895 118.700 -0.022 0.000 2.188 106 N HA -0.121 4.612 4.740 -0.012 0.000 0.184 106 N C 1.742 177.239 175.510 -0.020 0.000 1.018 106 N CA 0.608 53.645 53.050 -0.023 0.000 0.858 106 N CB -0.075 38.396 38.487 -0.026 0.000 0.989 106 N HN 0.180 nan 8.380 nan 0.000 0.426 107 A N 0.553 123.358 122.820 -0.025 0.000 1.877 107 A HA -0.166 4.147 4.320 -0.012 0.000 0.216 107 A C 2.402 179.982 177.584 -0.007 0.000 1.186 107 A CA 1.117 53.141 52.037 -0.021 0.000 0.620 107 A CB -0.933 18.043 19.000 -0.039 0.000 0.822 107 A HN 0.462 nan 8.150 nan 0.000 0.443 108 C N -0.826 118.473 119.300 -0.002 0.000 2.435 108 C HA -0.047 4.406 4.460 -0.012 0.000 0.279 108 C C 2.427 177.423 174.990 0.010 0.000 1.321 108 C CA 1.122 60.150 59.018 0.017 0.000 1.752 108 C CB -1.165 26.600 27.740 0.041 0.000 1.959 108 C HN 0.762 nan 8.230 nan 0.000 0.500 109 D N 0.774 121.179 120.400 0.008 0.000 2.117 109 D HA -0.144 4.489 4.640 -0.012 0.000 0.198 109 D C 2.110 178.428 176.300 0.030 0.000 0.982 109 D CA 1.493 55.501 54.000 0.013 0.000 0.828 109 D CB -0.147 40.650 40.800 -0.005 0.000 0.967 109 D HN 0.453 nan 8.370 nan 0.000 0.464 110 E N 0.121 120.332 120.200 0.020 0.000 2.028 110 E HA -0.012 4.330 4.350 -0.012 0.000 0.190 110 E C 1.934 178.573 176.600 0.064 0.000 0.984 110 E CA 1.538 57.970 56.400 0.052 0.000 0.800 110 E CB -0.676 29.036 29.700 0.020 0.000 0.758 110 E HN 0.223 nan 8.360 nan 0.000 0.448 111 A N -0.038 122.787 122.820 0.009 0.000 1.917 111 A HA -0.235 4.078 4.320 -0.012 0.000 0.219 111 A C 2.474 179.983 177.584 -0.124 0.000 1.182 111 A CA 2.901 54.915 52.037 -0.038 0.000 0.633 111 A CB -1.458 17.526 19.000 -0.026 0.000 0.819 111 A HN 0.533 nan 8.150 nan 0.000 0.448 112 T N -4.033 110.446 114.554 -0.125 0.000 2.904 112 T HA -0.161 4.182 4.350 -0.012 0.000 0.267 112 T C 1.836 176.451 174.700 -0.142 0.000 1.059 112 T CA 1.380 63.345 62.100 -0.225 0.000 1.137 112 T CB -0.536 68.242 68.868 -0.150 0.000 0.879 112 T HN 0.449 nan 8.240 nan 0.000 0.467 113 Y N 2.181 122.402 120.300 -0.132 0.000 2.145 113 Y HA -0.085 4.458 4.550 -0.011 0.000 0.286 113 Y C 2.628 178.465 175.900 -0.104 0.000 1.145 113 Y CA 1.541 59.581 58.100 -0.099 0.000 1.148 113 Y CB -0.572 37.849 38.460 -0.065 0.000 0.981 113 Y HN 0.225 nan 8.280 nan 0.000 0.507 114 Q N -0.929 118.784 119.800 -0.146 0.000 2.291 114 Q HA -0.132 4.201 4.340 -0.012 0.000 0.206 114 Q C 1.494 177.352 176.000 -0.236 0.000 0.976 114 Q CA 0.865 56.548 55.803 -0.201 0.000 0.875 114 Q CB -0.072 28.630 28.738 -0.060 0.000 0.927 114 Q HN 0.350 nan 8.270 nan 0.000 0.450 115 L N -1.086 119.981 121.223 -0.260 0.000 2.591 115 L HA 0.140 4.473 4.340 -0.012 0.000 0.228 115 L C 1.158 177.857 176.870 -0.286 0.000 1.133 115 L CA 1.241 55.916 54.840 -0.275 0.000 0.880 115 L CB -0.399 41.409 42.059 -0.418 0.000 1.033 115 L HN 0.314 nan 8.230 nan 0.000 0.450 116 G N -0.428 108.178 108.800 -0.323 0.000 2.149 116 G HA2 -0.215 3.738 3.960 -0.012 0.000 0.235 116 G HA3 -0.215 3.738 3.960 -0.012 0.000 0.235 116 G C -0.152 174.602 174.900 -0.244 0.000 1.018 116 G CA -0.012 44.910 45.100 -0.297 0.000 0.728 116 G HN 0.130 nan 8.290 nan 0.000 0.508 117 L N 0.294 121.372 121.223 -0.241 0.000 2.341 117 L HA 0.674 5.007 4.340 -0.012 0.000 0.267 117 L C -0.356 176.479 176.870 -0.058 0.000 1.009 117 L CA -1.473 53.260 54.840 -0.177 0.000 0.819 117 L CB 1.812 43.709 42.059 -0.269 0.000 1.323 117 L HN 0.176 nan 8.230 nan 0.000 0.425 118 D N 2.264 122.661 120.400 -0.005 0.000 2.396 118 D HA 0.133 4.766 4.640 -0.012 0.000 0.225 118 D C 0.942 177.272 176.300 0.050 0.000 1.121 118 D CA -0.225 53.802 54.000 0.044 0.000 0.853 118 D CB 1.051 41.881 40.800 0.050 0.000 1.043 118 D HN 0.569 nan 8.370 nan 0.000 0.500 119 M N 3.265 122.896 119.600 0.051 0.000 2.149 119 M HA -0.161 4.312 4.480 -0.012 0.000 0.261 119 M C 1.412 177.755 176.300 0.072 0.000 1.064 119 M CA 1.565 56.903 55.300 0.064 0.000 1.102 119 M CB 0.187 32.818 32.600 0.053 0.000 1.369 119 M HN 0.405 nan 8.290 nan 0.000 0.408 120 E N -0.209 120.024 120.200 0.055 0.000 2.153 120 E HA -0.255 4.088 4.350 -0.012 0.000 0.194 120 E C 1.836 178.468 176.600 0.053 0.000 0.988 120 E CA 1.368 57.796 56.400 0.047 0.000 0.811 120 E CB -0.068 29.655 29.700 0.039 0.000 0.746 120 E HN 0.632 nan 8.360 nan 0.000 0.466 121 E N 0.219 120.455 120.200 0.061 0.000 2.107 121 E HA -0.185 4.158 4.350 -0.012 0.000 0.191 121 E C 1.856 178.500 176.600 0.073 0.000 0.982 121 E CA 0.528 56.965 56.400 0.063 0.000 0.809 121 E CB 0.181 29.920 29.700 0.065 0.000 0.756 121 E HN 0.100 nan 8.360 nan 0.000 0.459 122 L N 1.511 122.800 121.223 0.109 0.000 2.093 122 L HA -0.120 4.213 4.340 -0.012 0.000 0.208 122 L C 2.045 178.987 176.870 0.119 0.000 1.085 122 L CA 1.587 56.528 54.840 0.168 0.000 0.755 122 L CB -0.542 41.666 42.059 0.249 0.000 0.904 122 L HN 0.141 nan 8.230 nan 0.000 0.435 123 E N -0.685 119.569 120.200 0.090 0.000 2.153 123 E HA -0.191 4.151 4.350 -0.012 0.000 0.194 123 E C 1.795 178.355 176.600 -0.066 0.000 0.988 123 E CA 0.760 57.183 56.400 0.039 0.000 0.811 123 E CB -0.027 29.698 29.700 0.042 0.000 0.746 123 E HN 0.419 nan 8.360 nan 0.000 0.466 124 E N 0.416 120.593 120.200 -0.038 0.000 2.409 124 E HA -0.111 4.231 4.350 -0.012 0.000 0.198 124 E C 1.883 178.421 176.600 -0.105 0.000 1.024 124 E CA 0.548 56.923 56.400 -0.042 0.000 0.861 124 E CB 0.048 29.756 29.700 0.015 0.000 0.788 124 E HN 0.427 nan 8.360 nan 0.000 0.521 125 I N 0.729 121.179 120.570 -0.200 0.000 2.617 125 I HA -0.099 4.064 4.170 -0.012 0.000 0.256 125 I C 1.389 177.206 176.117 -0.499 0.000 1.167 125 I CA 0.165 61.286 61.300 -0.298 0.000 1.469 125 I CB 0.022 37.856 38.000 -0.277 0.000 1.098 125 I HN -0.004 nan 8.210 nan 0.000 0.436 126 E N 2.429 122.189 120.200 -0.734 0.000 2.414 126 E HA -0.082 4.261 4.350 -0.012 0.000 0.263 126 E C -0.080 176.416 176.600 -0.174 0.000 1.000 126 E CA -0.110 55.907 56.400 -0.638 0.000 0.914 126 E CB 0.631 30.066 29.700 -0.442 0.000 0.948 126 E HN 0.068 nan 8.360 nan 0.000 0.444 127 E N 2.782 122.978 120.200 -0.007 0.000 2.331 127 E HA 0.095 4.438 4.350 -0.012 0.000 0.272 127 E C -1.234 175.470 176.600 0.173 0.000 1.036 127 E CA -0.269 56.216 56.400 0.143 0.000 0.864 127 E CB 0.832 30.707 29.700 0.291 0.000 1.035 127 E HN 0.361 nan 8.360 nan 0.000 0.408 128 D N 1.431 121.910 120.400 0.132 0.000 2.382 128 D HA 0.287 4.920 4.640 -0.012 0.000 0.245 128 D C -0.814 175.530 176.300 0.073 0.000 1.120 128 D CA 0.120 54.169 54.000 0.082 0.000 0.890 128 D CB 1.024 41.852 40.800 0.046 0.000 1.201 128 D HN 0.414 nan 8.370 nan 0.000 0.433 129 A N 2.293 125.113 122.820 -0.001 0.000 2.666 129 A HA 0.483 4.796 4.320 -0.012 0.000 0.312 129 A C 0.929 178.370 177.584 -0.239 0.000 1.471 129 A CA -0.509 51.346 52.037 -0.303 0.000 1.134 129 A CB -0.255 18.645 19.000 -0.166 0.000 1.129 129 A HN 0.523 nan 8.150 nan 0.000 0.539 130 G N 2.010 110.629 108.800 -0.302 0.000 3.717 130 G HA2 0.420 4.373 3.960 -0.012 0.000 0.258 130 G HA3 0.420 4.373 3.960 -0.012 0.000 0.258 130 G C 0.295 174.985 174.900 -0.351 0.000 1.088 130 G CA -0.299 44.709 45.100 -0.155 0.000 1.737 130 G HN 0.693 nan 8.290 nan 0.000 0.648 131 L N 1.413 122.478 121.223 -0.263 0.000 2.862 131 L HA 0.371 4.704 4.340 -0.012 0.000 0.240 131 L C 1.053 177.853 176.870 -0.116 0.000 1.283 131 L CA -0.230 54.544 54.840 -0.111 0.000 1.117 131 L CB -0.327 41.795 42.059 0.105 0.000 1.444 131 L HN 0.345 nan 8.230 nan 0.000 0.456 132 G N -1.268 107.236 108.800 -0.495 0.000 2.684 132 G HA2 0.227 4.179 3.960 -0.012 0.000 0.290 132 G HA3 0.227 4.179 3.960 -0.012 0.000 0.290 132 G C -0.123 174.297 174.900 -0.801 0.000 1.425 132 G CA -0.424 44.354 45.100 -0.537 0.000 0.822 132 G HN -0.090 nan 8.290 nan 0.000 0.482 133 N N -0.865 117.603 118.700 -0.387 0.000 2.439 133 N HA 0.222 4.955 4.740 -0.012 0.000 0.176 133 N C 1.132 176.634 175.510 -0.012 0.000 1.029 133 N CA 1.268 54.191 53.050 -0.212 0.000 0.886 133 N CB 1.309 39.785 38.487 -0.017 0.000 1.057 133 N HN 0.832 nan 8.380 nan 0.000 0.437 134 G N -0.654 108.231 108.800 0.143 0.000 2.649 134 G HA2 0.173 4.126 3.960 -0.012 0.000 0.078 134 G HA3 0.173 4.126 3.960 -0.012 0.000 0.078 134 G C 0.763 175.803 174.900 0.233 0.000 1.110 134 G CA 0.210 45.500 45.100 0.318 0.000 1.269 134 G HN 0.172 nan 8.290 nan 0.000 0.581 135 G N 0.615 109.491 108.800 0.126 0.000 2.631 135 G HA2 -0.218 3.735 3.960 -0.012 0.000 0.219 135 G HA3 -0.218 3.735 3.960 -0.012 0.000 0.219 135 G C 1.937 176.827 174.900 -0.017 0.000 1.214 135 G CA 1.810 46.938 45.100 0.047 0.000 0.785 135 G HN 1.056 nan 8.290 nan 0.000 0.596 136 L N 0.702 121.870 121.223 -0.092 0.000 2.043 136 L HA -0.003 4.330 4.340 -0.012 0.000 0.212 136 L C 2.811 179.602 176.870 -0.132 0.000 1.075 136 L CA 2.261 56.937 54.840 -0.274 0.000 0.752 136 L CB -0.587 41.245 42.059 -0.380 0.000 0.891 136 L HN 0.281 nan 8.230 nan 0.000 0.432 137 G N -0.979 107.818 108.800 -0.006 0.000 2.421 137 G HA2 -0.215 3.737 3.960 -0.012 0.000 0.217 137 G HA3 -0.215 3.737 3.960 -0.012 0.000 0.217 137 G C 1.687 176.678 174.900 0.152 0.000 1.143 137 G CA 0.152 45.285 45.100 0.054 0.000 0.784 137 G HN 0.178 nan 8.290 nan 0.000 0.541 138 R N 0.049 120.660 120.500 0.186 0.000 2.115 138 R HA 0.126 4.459 4.340 -0.012 0.000 0.226 138 R C 2.402 178.721 176.300 0.031 0.000 1.100 138 R CA 0.567 56.746 56.100 0.131 0.000 0.980 138 R CB -0.819 29.511 30.300 0.050 0.000 0.875 138 R HN 0.407 nan 8.270 nan 0.000 0.445 139 L N 0.606 121.778 121.223 -0.084 0.000 2.083 139 L HA -0.040 4.293 4.340 -0.012 0.000 0.209 139 L C 2.146 178.753 176.870 -0.438 0.000 1.083 139 L CA 2.018 56.666 54.840 -0.319 0.000 0.752 139 L CB -0.592 41.237 42.059 -0.383 0.000 0.899 139 L HN 0.154 nan 8.230 nan 0.000 0.433 140 A N -0.628 122.087 122.820 -0.174 0.000 1.902 140 A HA -0.091 4.222 4.320 -0.012 0.000 0.217 140 A C 2.439 180.125 177.584 0.169 0.000 1.181 140 A CA 1.650 53.673 52.037 -0.022 0.000 0.623 140 A CB -1.061 17.907 19.000 -0.054 0.000 0.818 140 A HN 0.542 nan 8.150 nan 0.000 0.443 141 A N -0.982 121.957 122.820 0.198 0.000 1.873 141 A HA -0.164 4.148 4.320 -0.012 0.000 0.215 141 A C 2.309 179.981 177.584 0.147 0.000 1.186 141 A CA 1.654 53.816 52.037 0.208 0.000 0.616 141 A CB -1.290 17.817 19.000 0.178 0.000 0.823 141 A HN 0.585 nan 8.150 nan 0.000 0.442 142 C N -1.504 117.884 119.300 0.147 0.000 2.425 142 C HA -0.062 4.391 4.460 -0.012 0.000 0.277 142 C C 2.437 177.603 174.990 0.293 0.000 1.280 142 C CA 0.615 59.757 59.018 0.207 0.000 1.744 142 C CB -1.615 26.265 27.740 0.235 0.000 1.989 142 C HN 0.599 nan 8.230 nan 0.000 0.491 143 F N 0.571 120.514 119.950 -0.011 0.000 2.102 143 F HA -0.072 4.448 4.527 -0.012 0.000 0.298 143 F C 2.112 177.858 175.800 -0.090 0.000 1.105 143 F CA 1.110 59.049 58.000 -0.102 0.000 1.239 143 F CB -1.400 37.402 39.000 -0.331 0.000 0.991 143 F HN 0.088 nan 8.300 nan 0.000 0.474 144 L N 0.325 121.627 121.223 0.132 0.000 2.012 144 L HA -0.250 4.083 4.340 -0.012 0.000 0.210 144 L C 2.174 179.055 176.870 0.020 0.000 1.073 144 L CA 2.045 56.913 54.840 0.046 0.000 0.748 144 L CB -1.350 40.732 42.059 0.039 0.000 0.891 144 L HN 0.124 nan 8.230 nan 0.000 0.431 145 D N -1.474 118.949 120.400 0.038 0.000 2.104 145 D HA -0.185 4.448 4.640 -0.012 0.000 0.194 145 D C 2.199 178.517 176.300 0.030 0.000 0.994 145 D CA 1.582 55.592 54.000 0.016 0.000 0.830 145 D CB 0.126 40.937 40.800 0.017 0.000 0.959 145 D HN 0.194 nan 8.370 nan 0.000 0.452 146 S N -0.776 114.958 115.700 0.057 0.000 2.368 146 S HA -0.124 4.339 4.470 -0.012 0.000 0.225 146 S C 2.004 176.616 174.600 0.020 0.000 1.030 146 S CA 0.973 59.197 58.200 0.040 0.000 0.999 146 S CB -0.238 62.988 63.200 0.043 0.000 0.844 146 S HN 0.351 nan 8.310 nan 0.000 0.459 147 M N 0.879 120.483 119.600 0.007 0.000 2.159 147 M HA -0.099 4.373 4.480 -0.012 0.000 0.263 147 M C 2.422 178.727 176.300 0.008 0.000 1.063 147 M CA 1.409 56.711 55.300 0.004 0.000 1.110 147 M CB -0.518 32.067 32.600 -0.025 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.315 122.507 122.820 0.002 0.000 1.929 148 A HA -0.090 4.223 4.320 -0.012 0.000 0.216 148 A C 2.149 179.751 177.584 0.031 0.000 1.176 148 A CA 1.779 53.822 52.037 0.009 0.000 0.628 148 A CB -0.954 18.034 19.000 -0.021 0.000 0.816 148 A HN 0.402 nan 8.150 nan 0.000 0.444 149 T N 0.291 114.868 114.554 0.038 0.000 2.962 149 T HA 0.035 4.378 4.350 -0.012 0.000 0.270 149 T C 1.141 175.875 174.700 0.057 0.000 1.088 149 T CA 0.950 63.087 62.100 0.062 0.000 1.127 149 T CB -0.257 68.656 68.868 0.076 0.000 0.883 149 T HN 0.339 nan 8.240 nan 0.000 0.493 150 L N 0.490 121.742 121.223 0.048 0.000 2.791 150 L HA 0.340 4.673 4.340 -0.012 0.000 0.239 150 L C 1.521 178.427 176.870 0.061 0.000 1.203 150 L CA -0.286 54.584 54.840 0.051 0.000 1.002 150 L CB -0.349 41.738 42.059 0.047 0.000 1.295 150 L HN 0.322 nan 8.230 nan 0.000 0.504 151 G N 1.324 110.166 108.800 0.070 0.000 2.341 151 G HA2 -0.291 3.662 3.960 -0.012 0.000 0.292 151 G HA3 -0.291 3.662 3.960 -0.012 0.000 0.292 151 G C 0.087 175.049 174.900 0.103 0.000 1.021 151 G CA 0.223 45.386 45.100 0.105 0.000 0.905 151 G HN 0.316 nan 8.290 nan 0.000 0.508 152 L N -0.324 120.927 121.223 0.047 0.000 2.334 152 L HA 0.619 4.952 4.340 -0.012 0.000 0.277 152 L C 1.157 177.923 176.870 -0.174 0.000 1.075 152 L CA -0.464 54.355 54.840 -0.035 0.000 0.804 152 L CB 1.688 43.736 42.059 -0.019 0.000 1.174 152 L HN 0.237 nan 8.230 nan 0.000 0.438 153 A N 3.035 125.612 122.820 -0.405 0.000 2.990 153 A HA 0.565 4.878 4.320 -0.012 0.000 0.282 153 A C 0.292 177.560 177.584 -0.527 0.000 1.688 153 A CA -0.173 51.343 52.037 -0.869 0.000 1.391 153 A CB -0.658 17.711 19.000 -1.052 0.000 1.112 153 A HN 0.685 nan 8.150 nan 0.000 0.588 154 A N 1.432 123.991 122.820 -0.436 0.000 2.337 154 A HA 0.786 5.099 4.320 -0.012 0.000 0.329 154 A C -1.114 176.244 177.584 -0.377 0.000 1.146 154 A CA -0.429 51.417 52.037 -0.319 0.000 0.800 154 A CB 0.711 19.581 19.000 -0.217 0.000 1.220 154 A HN 0.578 nan 8.150 nan 0.000 0.472 155 Y N 0.303 120.519 120.300 -0.139 0.000 2.361 155 Y HA 0.541 5.084 4.550 -0.012 0.000 0.337 155 Y C 0.807 176.756 175.900 0.082 0.000 0.965 155 Y CA -0.705 57.374 58.100 -0.034 0.000 1.091 155 Y CB 2.191 40.692 38.460 0.069 0.000 1.182 155 Y HN 0.821 nan 8.280 nan 0.000 0.450 156 G N 2.287 111.138 108.800 0.084 0.000 2.325 156 G HA2 0.427 4.379 3.960 -0.012 0.000 0.298 156 G HA3 0.427 4.379 3.960 -0.012 0.000 0.298 156 G C -1.699 173.208 174.900 0.012 0.000 1.134 156 G CA -0.237 44.948 45.100 0.141 0.000 0.876 156 G HN 0.499 nan 8.290 nan 0.000 0.452 157 Y N 1.191 121.744 120.300 0.422 0.000 2.350 157 Y HA 0.630 5.173 4.550 -0.012 0.000 0.338 157 Y C 0.764 177.001 175.900 0.561 0.000 0.961 157 Y CA 0.202 58.524 58.100 0.370 0.000 1.100 157 Y CB 2.596 41.285 38.460 0.383 0.000 1.179 157 Y HN 0.858 nan 8.280 nan 0.000 0.454 158 G N 2.407 111.572 108.800 0.608 0.000 2.753 158 G HA2 0.582 4.535 3.960 -0.012 0.000 0.303 158 G HA3 0.582 4.535 3.960 -0.012 0.000 0.303 158 G C -1.708 173.453 174.900 0.435 0.000 1.242 158 G CA -0.832 44.637 45.100 0.616 0.000 0.810 158 G HN 0.419 nan 8.290 nan 0.000 0.515 159 I N 0.581 121.298 120.570 0.245 0.000 2.441 159 I HA 0.432 4.595 4.170 -0.012 0.000 0.295 159 I C 0.234 176.277 176.117 -0.124 0.000 0.994 159 I CA -0.732 60.597 61.300 0.049 0.000 1.144 159 I CB 2.199 40.029 38.000 -0.282 0.000 1.314 159 I HN 0.385 nan 8.210 nan 0.000 0.445 160 R N 6.211 126.735 120.500 0.040 0.000 2.593 160 R HA 0.241 4.574 4.340 -0.012 0.000 0.282 160 R C -1.282 175.085 176.300 0.111 0.000 1.300 160 R CA -0.453 55.701 56.100 0.090 0.000 1.221 160 R CB -0.036 30.290 30.300 0.043 0.000 1.157 160 R HN 0.397 nan 8.270 nan 0.000 0.555 161 Y N 1.839 122.306 120.300 0.279 0.000 2.526 161 Y HA -0.065 4.478 4.550 -0.012 0.000 0.330 161 Y C 1.565 177.659 175.900 0.324 0.000 1.156 161 Y CA 0.041 58.297 58.100 0.259 0.000 1.419 161 Y CB 0.883 39.470 38.460 0.211 0.000 1.250 161 Y HN 0.595 nan 8.280 nan 0.000 0.540 162 E N 1.679 122.086 120.200 0.346 0.000 2.435 162 E HA 0.014 4.357 4.350 -0.012 0.000 0.195 162 E C -0.831 175.700 176.600 -0.116 0.000 1.029 162 E CA 0.492 56.941 56.400 0.082 0.000 0.865 162 E CB 0.079 29.685 29.700 -0.156 0.000 0.833 162 E HN 0.457 nan 8.360 nan 0.000 0.510 163 F N 0.779 120.970 119.950 0.401 0.000 2.553 163 F HA 0.483 5.003 4.527 -0.012 0.000 0.335 163 F C 0.797 176.692 175.800 0.158 0.000 1.148 163 F CA -0.939 57.240 58.000 0.298 0.000 0.963 163 F CB 2.076 41.178 39.000 0.171 0.000 1.217 163 F HN -0.027 nan 8.300 nan 0.000 0.441 164 G N 1.897 110.801 108.800 0.173 0.000 2.582 164 G HA2 0.332 4.285 3.960 -0.012 0.000 0.232 164 G HA3 0.332 4.285 3.960 -0.012 0.000 0.232 164 G C -0.488 174.372 174.900 -0.067 0.000 1.458 164 G CA -0.685 44.363 45.100 -0.086 0.000 1.062 164 G HN 0.525 nan 8.290 nan 0.000 0.566 165 I N 1.015 121.467 120.570 -0.196 0.000 2.752 165 I HA 0.208 4.371 4.170 -0.012 0.000 0.289 165 I C 0.532 176.553 176.117 -0.160 0.000 1.197 165 I CA -1.132 60.024 61.300 -0.240 0.000 1.432 165 I CB -0.351 37.412 38.000 -0.395 0.000 1.359 165 I HN 0.330 nan 8.210 nan 0.000 0.571 166 F N 6.503 126.465 119.950 0.020 0.000 2.589 166 F HA 0.240 4.760 4.527 -0.012 0.000 0.352 166 F C 0.438 176.290 175.800 0.086 0.000 1.168 166 F CA -0.514 57.522 58.000 0.059 0.000 1.353 166 F CB -0.280 38.741 39.000 0.036 0.000 1.116 166 F HN 0.435 nan 8.300 nan 0.000 0.608 167 N N 2.633 121.522 118.700 0.315 0.000 2.430 167 N HA 0.045 4.778 4.740 -0.012 0.000 0.265 167 N C -0.780 174.969 175.510 0.397 0.000 1.100 167 N CA -0.263 52.937 53.050 0.251 0.000 0.961 167 N CB 1.180 39.801 38.487 0.223 0.000 1.075 167 N HN 0.758 nan 8.380 nan 0.000 0.478 168 Q N 2.548 122.555 119.800 0.346 0.000 2.279 168 Q HA 0.196 4.529 4.340 -0.012 0.000 0.256 168 Q C -0.925 175.242 176.000 0.279 0.000 0.937 168 Q CA -0.097 55.946 55.803 0.401 0.000 0.933 168 Q CB 0.732 29.708 28.738 0.397 0.000 1.189 168 Q HN 0.328 nan 8.270 nan 0.000 0.417 169 K N 3.797 124.336 120.400 0.232 0.000 2.318 169 K HA 0.501 4.814 4.320 -0.012 0.000 0.249 169 K C -0.916 175.774 176.600 0.150 0.000 0.942 169 K CA -0.974 55.423 56.287 0.183 0.000 0.808 169 K CB 1.552 34.143 32.500 0.152 0.000 1.189 169 K HN 0.567 nan 8.250 nan 0.000 0.428 170 I N 2.212 122.859 120.570 0.129 0.000 2.330 170 I HA 0.227 4.390 4.170 -0.012 0.000 0.289 170 I C -0.451 175.716 176.117 0.084 0.000 1.001 170 I CA -0.688 60.660 61.300 0.081 0.000 1.193 170 I CB 0.866 38.891 38.000 0.042 0.000 1.345 170 I HN 0.576 nan 8.210 nan 0.000 0.461 171 C N 4.102 123.465 119.300 0.105 0.000 2.322 171 C HA 0.586 5.039 4.460 -0.012 0.000 0.324 171 C C 1.167 176.259 174.990 0.170 0.000 1.249 171 C CA -0.314 58.772 59.018 0.115 0.000 1.453 171 C CB 0.441 28.243 27.740 0.103 0.000 2.145 171 C HN 1.090 nan 8.230 nan 0.000 0.466 172 G N 2.665 111.537 108.800 0.119 0.000 2.225 172 G HA2 0.086 4.039 3.960 -0.012 0.000 0.267 172 G HA3 0.086 4.039 3.960 -0.012 0.000 0.267 172 G C 1.101 176.017 174.900 0.027 0.000 1.024 172 G CA 1.020 46.201 45.100 0.134 0.000 0.784 172 G HN 2.338 nan 8.290 nan 0.000 0.507 173 G N -2.909 105.851 108.800 -0.068 0.000 2.199 173 G HA2 -0.292 3.661 3.960 -0.012 0.000 0.254 173 G HA3 -0.292 3.661 3.960 -0.012 0.000 0.254 173 G C 0.402 175.067 174.900 -0.390 0.000 0.982 173 G CA 0.657 45.594 45.100 -0.271 0.000 0.632 173 G HN 1.189 nan 8.290 nan 0.000 0.529 174 W N 1.001 122.241 121.300 -0.099 0.000 2.448 174 W HA 0.666 5.319 4.660 -0.012 0.000 0.339 174 W C 0.658 177.118 176.519 -0.099 0.000 1.124 174 W CA -0.749 56.531 57.345 -0.110 0.000 1.262 174 W CB 0.740 30.151 29.460 -0.081 0.000 1.251 174 W HN 0.263 nan 8.180 nan 0.000 0.597 175 Q N 2.824 122.713 119.800 0.148 0.000 2.288 175 Q HA 0.327 4.660 4.340 -0.012 0.000 0.254 175 Q C -0.702 175.346 176.000 0.079 0.000 0.932 175 Q CA -0.061 55.797 55.803 0.091 0.000 0.902 175 Q CB 0.655 29.438 28.738 0.075 0.000 1.203 175 Q HN 0.319 nan 8.270 nan 0.000 0.415 176 M N 3.014 122.656 119.600 0.070 0.000 2.393 176 M HA 0.382 4.855 4.480 -0.012 0.000 0.316 176 M C -1.215 175.083 176.300 -0.003 0.000 1.087 176 M CA -0.704 54.605 55.300 0.016 0.000 0.937 176 M CB 1.800 34.426 32.600 0.044 0.000 1.668 176 M HN 0.625 nan 8.290 nan 0.000 0.438 177 E N 1.257 121.381 120.200 -0.128 0.000 2.191 177 E HA 0.499 4.841 4.350 -0.012 0.000 0.278 177 E C -0.932 175.659 176.600 -0.015 0.000 0.972 177 E CA -0.369 55.918 56.400 -0.189 0.000 0.804 177 E CB 1.733 31.057 29.700 -0.627 0.000 1.110 177 E HN 0.447 nan 8.360 nan 0.000 0.394 178 E N 1.113 121.392 120.200 0.133 0.000 2.248 178 E HA 0.579 4.922 4.350 -0.012 0.000 0.267 178 E C -1.184 175.523 176.600 0.179 0.000 0.877 178 E CA -1.119 55.357 56.400 0.128 0.000 0.759 178 E CB 1.377 31.168 29.700 0.152 0.000 1.182 178 E HN 0.627 nan 8.360 nan 0.000 0.418 179 A N 3.310 126.200 122.820 0.116 0.000 2.546 179 A HA -0.011 4.302 4.320 -0.012 0.000 0.243 179 A C -0.008 177.766 177.584 0.316 0.000 1.063 179 A CA 0.233 52.360 52.037 0.150 0.000 0.757 179 A CB 0.091 19.073 19.000 -0.031 0.000 0.991 179 A HN 0.631 nan 8.150 nan 0.000 0.503 180 D N 1.855 122.503 120.400 0.414 0.000 2.517 180 D HA 0.192 4.824 4.640 -0.012 0.000 0.220 180 D C -0.376 176.230 176.300 0.510 0.000 1.158 180 D CA -0.148 54.086 54.000 0.391 0.000 0.992 180 D CB 0.255 41.220 40.800 0.275 0.000 1.058 180 D HN 0.409 nan 8.370 nan 0.000 0.516 181 D N 3.526 124.186 120.400 0.433 0.000 2.801 181 D HA -0.025 4.608 4.640 -0.012 0.000 0.232 181 D C 1.192 177.604 176.300 0.185 0.000 1.128 181 D CA -0.541 53.607 54.000 0.247 0.000 1.003 181 D CB -0.179 40.777 40.800 0.260 0.000 1.110 181 D HN 0.522 nan 8.370 nan 0.000 0.477 182 W N 1.816 123.133 121.300 0.028 0.000 2.611 182 W HA -0.040 4.613 4.660 -0.012 0.000 0.251 182 W C 0.002 176.564 176.519 0.072 0.000 1.265 182 W CA 0.134 57.524 57.345 0.075 0.000 1.295 182 W CB -0.731 28.780 29.460 0.085 0.000 1.129 182 W HN 0.211 nan 8.180 nan 0.000 0.630 183 L N 0.784 121.636 121.223 -0.618 0.000 2.640 183 L HA 0.183 4.515 4.340 -0.012 0.000 0.230 183 L C 2.742 179.434 176.870 -0.295 0.000 1.123 183 L CA -0.107 54.350 54.840 -0.640 0.000 0.900 183 L CB -0.565 40.996 42.059 -0.830 0.000 1.146 183 L HN -0.111 nan 8.230 nan 0.000 0.484 184 R N 0.794 121.168 120.500 -0.209 0.000 2.136 184 R HA -0.244 4.089 4.340 -0.012 0.000 0.242 184 R C 1.522 177.630 176.300 -0.320 0.000 1.131 184 R CA 2.245 58.180 56.100 -0.275 0.000 0.937 184 R CB -0.271 29.822 30.300 -0.345 0.000 0.863 184 R HN 0.287 nan 8.270 nan 0.000 0.435 185 Y N -0.446 119.867 120.300 0.021 0.000 2.490 185 Y HA 0.280 4.823 4.550 -0.012 0.000 0.281 185 Y C 0.914 176.808 175.900 -0.010 0.000 1.174 185 Y CA 0.562 58.683 58.100 0.035 0.000 1.295 185 Y CB 0.538 39.127 38.460 0.217 0.000 1.062 185 Y HN 0.479 nan 8.280 nan 0.000 0.522 186 G N 1.202 110.047 108.800 0.075 0.000 2.663 186 G HA2 -0.210 3.742 3.960 -0.012 0.000 0.686 186 G HA3 -0.210 3.742 3.960 -0.012 0.000 0.686 186 G C -1.270 173.712 174.900 0.136 0.000 1.246 186 G CA -0.811 44.305 45.100 0.026 0.000 0.795 186 G HN 0.270 nan 8.290 nan 0.000 0.627 187 N N 1.292 120.011 118.700 0.032 0.000 2.524 187 N HA 0.581 5.313 4.740 -0.012 0.000 0.261 187 N C -0.603 174.904 175.510 -0.004 0.000 0.998 187 N CA -1.901 51.180 53.050 0.052 0.000 0.915 187 N CB 2.080 40.542 38.487 -0.041 0.000 1.187 187 N HN 0.263 nan 8.380 nan 0.000 0.507 188 P HA 0.014 nan 4.420 nan 0.000 0.229 188 P C 0.589 177.580 177.300 -0.514 0.000 1.160 188 P CA 0.681 63.472 63.100 -0.516 0.000 0.777 188 P CB 0.125 31.215 31.700 -1.016 0.000 0.814 189 W N 2.061 123.369 121.300 0.014 0.000 2.576 189 W HA 0.033 4.686 4.660 -0.012 0.000 0.270 189 W C 1.293 177.851 176.519 0.065 0.000 1.255 189 W CA -0.322 57.028 57.345 0.009 0.000 1.314 189 W CB -0.319 29.148 29.460 0.011 0.000 1.101 189 W HN 0.021 nan 8.180 nan 0.000 0.595 190 E N 1.613 121.990 120.200 0.295 0.000 2.318 190 E HA 0.352 4.695 4.350 -0.012 0.000 0.265 190 E C -0.603 176.167 176.600 0.283 0.000 1.069 190 E CA -0.787 55.797 56.400 0.308 0.000 0.893 190 E CB 1.259 31.160 29.700 0.335 0.000 1.076 190 E HN -0.337 nan 8.360 nan 0.000 0.414 191 K N 1.354 121.934 120.400 0.300 0.000 2.535 191 K HA 0.413 4.726 4.320 -0.012 0.000 0.253 191 K C -1.262 175.350 176.600 0.021 0.000 0.953 191 K CA -0.501 55.891 56.287 0.175 0.000 0.863 191 K CB 1.547 34.161 32.500 0.190 0.000 1.111 191 K HN 0.670 nan 8.250 nan 0.000 0.431 192 A N 4.173 126.908 122.820 -0.142 0.000 2.477 192 A HA 0.364 4.676 4.320 -0.012 0.000 0.246 192 A C -0.231 177.151 177.584 -0.337 0.000 1.078 192 A CA -0.135 51.569 52.037 -0.554 0.000 0.770 192 A CB 0.217 18.880 19.000 -0.562 0.000 1.011 192 A HN 0.654 nan 8.150 nan 0.000 0.494 193 R N 3.273 123.567 120.500 -0.343 0.000 3.026 193 R HA 0.198 4.531 4.340 -0.012 0.000 0.317 193 R C -2.306 173.855 176.300 -0.231 0.000 1.278 193 R CA -1.734 54.224 56.100 -0.237 0.000 1.407 193 R CB 0.544 30.837 30.300 -0.012 0.000 1.368 193 R HN 0.602 nan 8.270 nan 0.000 0.612 194 P HA -0.186 nan 4.420 nan 0.000 0.223 194 P C 0.765 177.983 177.300 -0.137 0.000 1.144 194 P CA 1.127 64.147 63.100 -0.132 0.000 0.783 194 P CB 0.390 32.021 31.700 -0.115 0.000 0.771 195 E N -0.077 119.935 120.200 -0.313 0.000 2.427 195 E HA -0.103 4.240 4.350 -0.012 0.000 0.196 195 E C 0.956 177.402 176.600 -0.257 0.000 1.028 195 E CA 0.567 56.748 56.400 -0.366 0.000 0.864 195 E CB -0.917 28.427 29.700 -0.593 0.000 0.813 195 E HN 0.388 nan 8.360 nan 0.000 0.514 196 F N 1.860 121.828 119.950 0.031 0.000 2.684 196 F HA 0.226 4.746 4.527 -0.012 0.000 0.298 196 F C 0.459 176.358 175.800 0.165 0.000 1.120 196 F CA -0.721 57.327 58.000 0.081 0.000 1.332 196 F CB 0.656 39.696 39.000 0.067 0.000 0.986 196 F HN -0.272 nan 8.300 nan 0.000 0.524 197 T N 2.719 117.433 114.554 0.267 0.000 2.928 197 T HA 0.231 4.574 4.350 -0.012 0.000 0.305 197 T C -0.240 174.578 174.700 0.196 0.000 1.035 197 T CA 0.325 62.577 62.100 0.254 0.000 1.145 197 T CB 0.806 69.770 68.868 0.160 0.000 0.963 197 T HN -0.107 nan 8.240 nan 0.000 0.545 198 L N 5.683 126.990 121.223 0.140 0.000 2.370 198 L HA 0.552 4.885 4.340 -0.012 0.000 0.266 198 L C -2.190 174.634 176.870 -0.077 0.000 1.002 198 L CA -2.386 52.451 54.840 -0.006 0.000 0.818 198 L CB 1.975 43.953 42.059 -0.135 0.000 1.325 198 L HN 0.390 nan 8.230 nan 0.000 0.418 199 P HA 0.363 nan 4.420 nan 0.000 0.288 199 P C -1.246 175.909 177.300 -0.241 0.000 1.267 199 P CA -0.395 62.615 63.100 -0.150 0.000 0.815 199 P CB 1.928 33.538 31.700 -0.150 0.000 0.989 200 V N 4.097 123.857 119.914 -0.257 0.000 2.604 200 V HA 0.334 4.447 4.120 -0.012 0.000 0.305 200 V C 0.238 176.105 176.094 -0.378 0.000 1.043 200 V CA -0.629 61.508 62.300 -0.273 0.000 0.888 200 V CB 1.520 33.250 31.823 -0.156 0.000 0.995 200 V HN 0.610 nan 8.190 nan 0.000 0.429 201 H N 3.630 122.545 119.070 -0.258 0.000 2.479 201 H HA 0.635 5.184 4.556 -0.012 0.000 0.335 201 H C -1.303 173.731 175.328 -0.490 0.000 1.142 201 H CA -0.160 55.644 56.048 -0.407 0.000 1.234 201 H CB 1.943 31.202 29.762 -0.839 0.000 1.503 201 H HN 0.482 nan 8.280 nan 0.000 0.510 202 F N 0.164 120.127 119.950 0.023 0.000 2.626 202 F HA 0.197 4.717 4.527 -0.012 0.000 0.311 202 F C -0.321 175.542 175.800 0.104 0.000 1.088 202 F CA -0.550 57.462 58.000 0.020 0.000 0.949 202 F CB 1.112 40.025 39.000 -0.146 0.000 1.322 202 F HN 0.543 nan 8.300 nan 0.000 0.461 203 Y N 0.254 120.839 120.300 0.475 0.000 2.904 203 Y HA -0.010 4.533 4.550 -0.012 0.000 0.466 203 Y C 1.352 177.499 175.900 0.411 0.000 1.202 203 Y CA 0.687 58.990 58.100 0.339 0.000 2.492 203 Y CB -1.908 36.678 38.460 0.210 0.000 1.237 203 Y HN 1.312 nan 8.280 nan 0.000 0.633 204 G N 0.659 109.732 108.800 0.454 0.000 2.593 204 G HA2 0.111 4.064 3.960 -0.012 0.000 0.237 204 G HA3 0.111 4.064 3.960 -0.012 0.000 0.237 204 G C -0.512 174.599 174.900 0.351 0.000 1.312 204 G CA 0.983 46.273 45.100 0.318 0.000 0.896 204 G HN 1.363 nan 8.290 nan 0.000 0.574 205 R N -2.659 118.045 120.500 0.340 0.000 2.766 205 R HA 0.718 5.051 4.340 -0.012 0.000 0.270 205 R C -1.483 174.949 176.300 0.220 0.000 1.035 205 R CA -0.953 55.287 56.100 0.234 0.000 0.911 205 R CB 1.291 31.677 30.300 0.142 0.000 1.243 205 R HN 0.935 nan 8.270 nan 0.000 0.460 206 V N 0.853 120.814 119.914 0.079 0.000 2.417 206 V HA 0.369 4.482 4.120 -0.012 0.000 0.291 206 V C -0.317 175.722 176.094 -0.093 0.000 1.024 206 V CA -0.621 61.656 62.300 -0.038 0.000 0.861 206 V CB 1.403 33.131 31.823 -0.159 0.000 0.985 206 V HN 0.667 nan 8.190 nan 0.000 0.436 207 E N 3.072 123.199 120.200 -0.122 0.000 2.166 207 E HA 0.416 4.759 4.350 -0.012 0.000 0.275 207 E C -1.021 175.457 176.600 -0.202 0.000 0.941 207 E CA -0.705 55.642 56.400 -0.089 0.000 0.784 207 E CB 1.110 30.799 29.700 -0.019 0.000 1.115 207 E HN 0.646 nan 8.360 nan 0.000 0.399 208 H N 2.499 121.581 119.070 0.021 0.000 2.623 208 H HA 0.169 4.718 4.556 -0.012 0.000 0.299 208 H C 0.248 175.583 175.328 0.012 0.000 1.052 208 H CA -0.200 55.856 56.048 0.012 0.000 1.231 208 H CB 0.945 30.709 29.762 0.004 0.000 1.389 208 H HN 0.589 nan 8.280 nan 0.000 0.469 209 T N -0.629 113.985 114.554 0.099 0.000 2.893 209 T HA 0.199 4.541 4.350 -0.012 0.000 0.281 209 T C 1.384 176.123 174.700 0.064 0.000 1.027 209 T CA -0.716 61.423 62.100 0.066 0.000 0.953 209 T CB 0.850 69.740 68.868 0.037 0.000 1.434 209 T HN 0.280 nan 8.240 nan 0.000 0.597 210 S N -0.298 115.428 115.700 0.043 0.000 2.496 210 S HA 0.019 4.482 4.470 -0.012 0.000 0.224 210 S C 1.579 176.200 174.600 0.034 0.000 0.996 210 S CA 0.349 58.570 58.200 0.034 0.000 0.927 210 S CB -0.308 62.907 63.200 0.025 0.000 0.774 210 S HN 0.718 nan 8.310 nan 0.000 0.524 211 Q N 1.006 120.827 119.800 0.035 0.000 2.246 211 Q HA 0.412 4.745 4.340 -0.012 0.000 0.202 211 Q C 0.644 176.666 176.000 0.037 0.000 0.883 211 Q CA 0.228 56.050 55.803 0.031 0.000 0.952 211 Q CB -0.085 28.668 28.738 0.024 0.000 1.078 211 Q HN 0.447 nan 8.270 nan 0.000 0.493 212 G N -0.604 108.229 108.800 0.056 0.000 2.549 212 G HA2 0.069 4.022 3.960 -0.012 0.000 0.404 212 G HA3 0.069 4.022 3.960 -0.012 0.000 0.404 212 G C -0.818 174.123 174.900 0.069 0.000 1.292 212 G CA -0.632 44.512 45.100 0.075 0.000 0.935 212 G HN 0.525 nan 8.290 nan 0.000 0.512 213 A N -0.057 122.793 122.820 0.049 0.000 2.340 213 A HA 0.723 5.036 4.320 -0.012 0.000 0.268 213 A C 0.279 177.811 177.584 -0.086 0.000 1.100 213 A CA 0.223 52.196 52.037 -0.106 0.000 0.803 213 A CB 0.661 19.571 19.000 -0.149 0.000 1.043 213 A HN 0.717 nan 8.150 nan 0.000 0.488 214 K N 0.956 121.287 120.400 -0.115 0.000 2.482 214 K HA 0.182 4.494 4.320 -0.012 0.000 0.251 214 K C -1.873 174.754 176.600 0.044 0.000 0.936 214 K CA -0.218 56.054 56.287 -0.024 0.000 0.791 214 K CB 2.000 34.490 32.500 -0.018 0.000 1.213 214 K HN 0.769 nan 8.250 nan 0.000 0.428 215 W N 5.374 126.589 121.300 -0.142 0.000 2.308 215 W HA 0.375 5.027 4.660 -0.012 0.000 0.311 215 W C -0.478 175.976 176.519 -0.109 0.000 1.088 215 W CA -0.922 56.346 57.345 -0.128 0.000 1.309 215 W CB 0.108 29.480 29.460 -0.148 0.000 1.229 215 W HN 0.304 nan 8.180 nan 0.000 0.427 216 V N 2.632 122.610 119.914 0.107 0.000 3.155 216 V HA 0.595 4.707 4.120 -0.012 0.000 0.313 216 V C 0.005 176.082 176.094 -0.027 0.000 1.162 216 V CA -0.919 61.362 62.300 -0.031 0.000 1.048 216 V CB 1.900 33.728 31.823 0.008 0.000 1.092 216 V HN 0.474 nan 8.190 nan 0.000 0.447 217 D N 0.477 120.860 120.400 -0.028 0.000 2.708 217 D HA -0.145 4.487 4.640 -0.012 0.000 0.236 217 D C 0.557 176.864 176.300 0.012 0.000 1.146 217 D CA 1.463 55.468 54.000 0.008 0.000 0.662 217 D CB -1.431 39.395 40.800 0.043 0.000 1.059 217 D HN 1.255 nan 8.370 nan 0.000 0.428 218 T N -2.977 111.537 114.554 -0.067 0.000 2.899 218 T HA 0.373 4.716 4.350 -0.012 0.000 0.284 218 T C 0.287 175.032 174.700 0.076 0.000 1.004 218 T CA -0.760 61.310 62.100 -0.050 0.000 1.043 218 T CB 2.693 71.353 68.868 -0.347 0.000 1.013 218 T HN 0.143 nan 8.240 nan 0.000 0.518 219 Q N 0.882 120.791 119.800 0.183 0.000 2.243 219 Q HA 0.506 4.839 4.340 -0.012 0.000 0.252 219 Q C -1.362 174.726 176.000 0.146 0.000 0.909 219 Q CA -0.750 55.171 55.803 0.197 0.000 0.922 219 Q CB 1.162 30.108 28.738 0.347 0.000 1.215 219 Q HN 0.625 nan 8.270 nan 0.000 0.427 220 V N 4.276 124.225 119.914 0.058 0.000 2.435 220 V HA 0.436 4.549 4.120 -0.012 0.000 0.290 220 V C -0.485 175.640 176.094 0.052 0.000 1.030 220 V CA -0.606 61.662 62.300 -0.054 0.000 0.881 220 V CB 1.804 33.538 31.823 -0.148 0.000 0.983 220 V HN 0.579 nan 8.190 nan 0.000 0.445 221 V N 6.040 126.013 119.914 0.099 0.000 2.588 221 V HA 0.475 4.588 4.120 -0.012 0.000 0.304 221 V C -0.198 175.995 176.094 0.164 0.000 1.042 221 V CA -0.603 61.803 62.300 0.176 0.000 0.877 221 V CB 1.913 33.925 31.823 0.316 0.000 0.996 221 V HN 0.633 nan 8.190 nan 0.000 0.425 222 L N 3.670 124.989 121.223 0.161 0.000 2.350 222 L HA 0.733 5.066 4.340 -0.012 0.000 0.275 222 L C 0.487 177.542 176.870 0.309 0.000 1.099 222 L CA -0.329 54.608 54.840 0.161 0.000 0.808 222 L CB 1.300 43.435 42.059 0.127 0.000 1.149 222 L HN 0.749 nan 8.230 nan 0.000 0.442 223 A N 5.076 128.026 122.820 0.216 0.000 2.267 223 A HA 0.563 4.876 4.320 -0.012 0.000 0.315 223 A C -0.461 177.412 177.584 0.482 0.000 1.297 223 A CA -0.474 51.728 52.037 0.275 0.000 0.865 223 A CB 0.897 19.603 19.000 -0.490 0.000 1.165 223 A HN 0.790 nan 8.150 nan 0.000 0.513 224 M N 6.232 126.169 119.600 0.563 0.000 2.157 224 M HA 0.450 4.923 4.480 -0.012 0.000 0.354 224 M C -2.580 174.010 176.300 0.485 0.000 1.170 224 M CA -2.066 53.508 55.300 0.458 0.000 1.060 224 M CB 2.002 34.795 32.600 0.322 0.000 1.615 224 M HN 0.378 nan 8.290 nan 0.000 0.460 225 P HA 0.262 nan 4.420 nan 0.000 0.286 225 P C -1.978 175.288 177.300 -0.056 0.000 1.261 225 P CA -0.174 62.870 63.100 -0.093 0.000 0.821 225 P CB 0.788 32.185 31.700 -0.504 0.000 1.013 226 Y N 0.592 120.846 120.300 -0.077 0.000 2.331 226 Y HA 0.315 4.858 4.550 -0.012 0.000 0.334 226 Y C 0.179 176.083 175.900 0.008 0.000 0.960 226 Y CA -0.284 57.826 58.100 0.016 0.000 1.130 226 Y CB 1.344 39.843 38.460 0.066 0.000 1.164 226 Y HN 0.213 nan 8.280 nan 0.000 0.458 227 D N 1.953 122.471 120.400 0.197 0.000 2.168 227 D HA 0.435 5.068 4.640 -0.012 0.000 0.246 227 D C -0.575 175.954 176.300 0.381 0.000 1.050 227 D CA -0.224 53.934 54.000 0.263 0.000 0.857 227 D CB 1.750 42.744 40.800 0.325 0.000 1.169 227 D HN 0.364 nan 8.370 nan 0.000 0.453 228 T N 3.020 117.699 114.554 0.209 0.000 2.824 228 T HA 0.463 4.806 4.350 -0.012 0.000 0.282 228 T C -2.535 171.993 174.700 -0.287 0.000 0.993 228 T CA -1.444 60.675 62.100 0.031 0.000 0.967 228 T CB 2.115 71.001 68.868 0.031 0.000 0.960 228 T HN 0.179 nan 8.240 nan 0.000 0.441 229 P HA 0.310 nan 4.420 nan 0.000 0.275 229 P C -1.009 175.952 177.300 -0.565 0.000 1.227 229 P CA -0.383 62.024 63.100 -1.154 0.000 0.781 229 P CB 0.868 31.661 31.700 -1.512 0.000 0.906 230 V N 5.067 124.710 119.914 -0.451 0.000 2.327 230 V HA 0.249 4.361 4.120 -0.012 0.000 0.272 230 V C -2.049 173.913 176.094 -0.220 0.000 1.019 230 V CA -1.884 60.250 62.300 -0.275 0.000 0.814 230 V CB 1.397 33.104 31.823 -0.194 0.000 1.040 230 V HN 0.550 nan 8.190 nan 0.000 0.440 231 P HA 0.240 nan 4.420 nan 0.000 0.281 231 P C 0.400 177.652 177.300 -0.079 0.000 1.252 231 P CA 0.372 63.388 63.100 -0.140 0.000 0.778 231 P CB 1.699 33.313 31.700 -0.144 0.000 0.895 232 G N 2.530 111.301 108.800 -0.048 0.000 2.616 232 G HA2 0.118 4.070 3.960 -0.012 0.000 0.268 232 G HA3 0.118 4.070 3.960 -0.012 0.000 0.268 232 G C -1.166 173.748 174.900 0.023 0.000 1.213 232 G CA -0.594 44.507 45.100 0.001 0.000 0.926 232 G HN 0.531 nan 8.290 nan 0.000 0.523 233 Y N 0.391 120.657 120.300 -0.057 0.000 2.584 233 Y HA 0.291 4.834 4.550 -0.012 0.000 0.351 233 Y C 1.208 177.072 175.900 -0.058 0.000 1.030 233 Y CA -0.308 57.753 58.100 -0.065 0.000 1.332 233 Y CB 0.154 38.575 38.460 -0.065 0.000 1.148 233 Y HN 0.695 nan 8.280 nan 0.000 0.528 234 R N 2.859 123.029 120.500 -0.551 0.000 3.610 234 R HA -0.319 4.014 4.340 -0.012 0.000 0.274 234 R C -0.011 176.142 176.300 -0.244 0.000 1.123 234 R CA 1.491 57.308 56.100 -0.473 0.000 0.747 234 R CB -1.870 27.988 30.300 -0.736 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -1.320 117.293 118.700 -0.145 0.000 2.177 235 N HA 0.067 4.800 4.740 -0.012 0.000 0.218 235 N C -0.270 175.196 175.510 -0.073 0.000 1.182 235 N CA -0.425 52.575 53.050 -0.083 0.000 0.882 235 N CB 0.521 38.987 38.487 -0.034 0.000 1.052 235 N HN 0.077 nan 8.380 nan 0.000 0.519 236 N N -0.033 118.617 118.700 -0.082 0.000 2.741 236 N HA -0.133 4.600 4.740 -0.012 0.000 0.251 236 N C -1.027 174.449 175.510 -0.057 0.000 1.112 236 N CA 0.556 53.566 53.050 -0.066 0.000 0.750 236 N CB -1.241 37.206 38.487 -0.066 0.000 1.119 236 N HN 0.197 nan 8.380 nan 0.000 0.561 237 V N 1.044 120.930 119.914 -0.047 0.000 2.439 237 V HA 0.491 4.604 4.120 -0.012 0.000 0.282 237 V C 0.497 176.569 176.094 -0.036 0.000 1.039 237 V CA -0.536 61.746 62.300 -0.030 0.000 0.913 237 V CB 2.245 34.075 31.823 0.013 0.000 0.983 237 V HN -0.040 nan 8.190 nan 0.000 0.460 238 V N 5.335 125.232 119.914 -0.028 0.000 2.462 238 V HA 0.365 4.477 4.120 -0.012 0.000 0.288 238 V C 0.001 176.086 176.094 -0.014 0.000 1.020 238 V CA -0.792 61.464 62.300 -0.074 0.000 0.857 238 V CB 1.229 32.997 31.823 -0.092 0.000 1.013 238 V HN 0.919 nan 8.190 nan 0.000 0.431 239 N N 1.877 120.539 118.700 -0.062 0.000 2.418 239 N HA 0.622 5.355 4.740 -0.012 0.000 0.283 239 N C -0.382 175.093 175.510 -0.059 0.000 1.267 239 N CA -0.580 52.447 53.050 -0.039 0.000 0.975 239 N CB 1.006 39.433 38.487 -0.100 0.000 1.167 239 N HN 0.581 nan 8.380 nan 0.000 0.581 240 T N 0.894 115.412 114.554 -0.059 0.000 2.863 240 T HA 0.364 4.707 4.350 -0.012 0.000 0.285 240 T C -0.763 173.892 174.700 -0.076 0.000 1.009 240 T CA -0.504 61.631 62.100 0.058 0.000 0.989 240 T CB 1.154 70.182 68.868 0.267 0.000 1.004 240 T HN 0.335 nan 8.240 nan 0.000 0.455 241 M N 3.593 123.127 119.600 -0.110 0.000 2.078 241 M HA 0.506 4.979 4.480 -0.012 0.000 0.320 241 M C -0.591 175.574 176.300 -0.224 0.000 0.969 241 M CA -0.747 54.403 55.300 -0.249 0.000 0.929 241 M CB 0.796 33.197 32.600 -0.331 0.000 1.504 241 M HN 0.491 nan 8.290 nan 0.000 0.419 242 R N 4.628 124.898 120.500 -0.384 0.000 2.255 242 R HA 0.569 4.902 4.340 -0.012 0.000 0.326 242 R C -1.943 174.133 176.300 -0.372 0.000 0.986 242 R CA -0.554 55.291 56.100 -0.426 0.000 0.847 242 R CB 0.891 30.770 30.300 -0.703 0.000 1.111 242 R HN 0.651 nan 8.270 nan 0.000 0.452 243 L N 5.604 126.696 121.223 -0.219 0.000 2.313 243 L HA 0.470 4.802 4.340 -0.012 0.000 0.283 243 L C -1.071 175.786 176.870 -0.022 0.000 1.013 243 L CA -0.541 54.268 54.840 -0.052 0.000 0.816 243 L CB 1.228 43.331 42.059 0.073 0.000 1.236 243 L HN 0.632 nan 8.230 nan 0.000 0.419 244 W N 2.214 123.652 121.300 0.231 0.000 2.376 244 W HA 0.619 5.272 4.660 -0.012 0.000 0.322 244 W C 0.543 177.293 176.519 0.385 0.000 1.160 244 W CA -0.274 57.225 57.345 0.256 0.000 1.218 244 W CB 1.433 30.901 29.460 0.012 0.000 1.205 244 W HN 0.428 nan 8.180 nan 0.000 0.559 245 S N 1.616 117.737 115.700 0.702 0.000 2.500 245 S HA 0.776 5.239 4.470 -0.012 0.000 0.301 245 S C -0.504 174.454 174.600 0.597 0.000 1.092 245 S CA -0.712 57.802 58.200 0.523 0.000 1.030 245 S CB 0.654 64.096 63.200 0.403 0.000 1.031 245 S HN 0.531 nan 8.310 nan 0.000 0.483 246 A N 4.690 127.705 122.820 0.324 0.000 2.363 246 A HA 0.724 5.037 4.320 -0.012 0.000 0.270 246 A C -0.383 177.299 177.584 0.164 0.000 1.121 246 A CA -0.333 51.800 52.037 0.159 0.000 0.800 246 A CB 0.351 19.170 19.000 -0.302 0.000 1.052 246 A HN 0.664 nan 8.150 nan 0.000 0.493 247 K N 0.786 121.297 120.400 0.186 0.000 2.498 247 K HA 0.644 4.957 4.320 -0.012 0.000 0.254 247 K C -0.608 176.056 176.600 0.107 0.000 0.933 247 K CA -0.430 55.940 56.287 0.138 0.000 0.806 247 K CB 2.296 34.892 32.500 0.159 0.000 1.301 247 K HN 0.801 nan 8.250 nan 0.000 0.432 248 A N 3.042 125.906 122.820 0.073 0.000 2.316 248 A HA 0.627 4.940 4.320 -0.012 0.000 0.284 248 A C -2.256 175.360 177.584 0.053 0.000 1.115 248 A CA -1.218 50.853 52.037 0.056 0.000 0.812 248 A CB -0.117 18.904 19.000 0.036 0.000 1.064 248 A HN 0.330 nan 8.150 nan 0.000 0.489 249 P HA 0.164 nan 4.420 nan 0.000 0.272 249 P C 0.286 177.606 177.300 0.034 0.000 1.240 249 P CA -0.431 62.692 63.100 0.038 0.000 0.791 249 P CB 0.552 32.269 31.700 0.029 0.000 0.978 250 N N 0.258 118.979 118.700 0.034 0.000 2.416 250 N HA -0.036 4.696 4.740 -0.012 0.000 0.177 250 N C 0.376 175.909 175.510 0.038 0.000 1.036 250 N CA 0.732 53.804 53.050 0.036 0.000 0.901 250 N CB -0.391 38.119 38.487 0.037 0.000 0.976 250 N HN 0.591 nan 8.380 nan 0.000 0.444 262 Y N 0.857 121.159 120.300 0.003 0.000 2.114 262 Y HA -0.128 4.415 4.550 -0.012 0.000 0.282 262 Y C 2.685 178.588 175.900 0.004 0.000 1.165 262 Y CA 2.422 60.525 58.100 0.004 0.000 1.148 262 Y CB -0.080 38.383 38.460 0.004 0.000 0.972 262 Y HN 0.238 nan 8.280 nan 0.000 0.504 263 I N 0.406 120.898 120.570 -0.130 0.000 2.127 263 I HA -0.314 3.849 4.170 -0.012 0.000 0.241 263 I C 2.406 178.407 176.117 -0.192 0.000 1.075 263 I CA 1.550 62.721 61.300 -0.215 0.000 1.334 263 I CB -1.426 36.558 38.000 -0.027 0.000 1.040 263 I HN 0.371 nan 8.210 nan 0.000 0.405 264 Q N 0.484 120.223 119.800 -0.101 0.000 2.135 264 Q HA -0.137 4.196 4.340 -0.012 0.000 0.204 264 Q C 2.367 178.310 176.000 -0.094 0.000 0.981 264 Q CA 1.845 57.602 55.803 -0.076 0.000 0.856 264 Q CB -0.322 28.393 28.738 -0.038 0.000 0.902 264 Q HN 0.556 nan 8.270 nan 0.000 0.425 265 A N -0.024 122.728 122.820 -0.115 0.000 1.902 265 A HA -0.134 4.179 4.320 -0.012 0.000 0.217 265 A C 2.387 179.891 177.584 -0.133 0.000 1.181 265 A CA 1.609 53.586 52.037 -0.100 0.000 0.623 265 A CB -0.595 18.359 19.000 -0.076 0.000 0.818 265 A HN 0.227 nan 8.150 nan 0.000 0.443 266 V N 0.124 119.895 119.914 -0.238 0.000 2.358 266 V HA -0.216 3.897 4.120 -0.012 0.000 0.246 266 V C 2.493 178.513 176.094 -0.123 0.000 1.047 266 V CA 1.778 63.950 62.300 -0.214 0.000 1.035 266 V CB -0.727 30.889 31.823 -0.345 0.000 0.658 266 V HN 0.563 nan 8.190 nan 0.000 0.452 267 L N -0.259 120.895 121.223 -0.115 0.000 2.141 267 L HA -0.111 4.222 4.340 -0.012 0.000 0.209 267 L C 1.905 178.748 176.870 -0.045 0.000 1.094 267 L CA 1.124 55.924 54.840 -0.067 0.000 0.763 267 L CB -0.634 41.390 42.059 -0.058 0.000 0.908 267 L HN 0.325 nan 8.230 nan 0.000 0.437 268 D N 0.083 120.454 120.400 -0.048 0.000 2.378 268 D HA -0.061 4.572 4.640 -0.012 0.000 0.227 268 D C 2.056 178.343 176.300 -0.023 0.000 1.012 268 D CA 0.403 54.384 54.000 -0.032 0.000 0.905 268 D CB 0.020 40.801 40.800 -0.031 0.000 0.895 268 D HN 0.253 nan 8.370 nan 0.000 0.532 269 R N 0.446 120.931 120.500 -0.024 0.000 2.152 269 R HA -0.028 4.305 4.340 -0.012 0.000 0.232 269 R C 1.619 177.919 176.300 -0.001 0.000 1.117 269 R CA 0.531 56.625 56.100 -0.009 0.000 0.981 269 R CB -0.029 30.265 30.300 -0.009 0.000 0.870 269 R HN 0.136 nan 8.270 nan 0.000 0.451 270 N N 0.658 119.357 118.700 -0.002 0.000 2.272 270 N HA -0.148 4.585 4.740 -0.012 0.000 0.185 270 N C 1.483 176.994 175.510 0.001 0.000 1.014 270 N CA 1.015 54.069 53.050 0.006 0.000 0.870 270 N CB -0.055 38.436 38.487 0.007 0.000 0.975 270 N HN 0.099 nan 8.380 nan 0.000 0.433 271 L N 0.993 122.213 121.223 -0.007 0.000 2.083 271 L HA -0.074 4.259 4.340 -0.012 0.000 0.209 271 L C 2.357 179.212 176.870 -0.025 0.000 1.083 271 L CA 1.284 56.117 54.840 -0.012 0.000 0.752 271 L CB -1.037 41.014 42.059 -0.013 0.000 0.899 271 L HN 0.104 nan 8.230 nan 0.000 0.433 272 A N -0.986 121.823 122.820 -0.020 0.000 1.970 272 A HA -0.103 4.210 4.320 -0.012 0.000 0.216 272 A C 2.086 179.638 177.584 -0.053 0.000 1.170 272 A CA 0.919 52.935 52.037 -0.034 0.000 0.645 272 A CB -0.342 18.662 19.000 0.006 0.000 0.816 272 A HN 0.497 nan 8.150 nan 0.000 0.447 273 E N 0.276 120.465 120.200 -0.019 0.000 2.482 273 E HA -0.053 4.289 4.350 -0.012 0.000 0.196 273 E C 0.820 177.416 176.600 -0.007 0.000 1.047 273 E CA 0.095 56.489 56.400 -0.009 0.000 0.869 273 E CB -0.120 29.599 29.700 0.030 0.000 0.836 273 E HN 0.445 nan 8.360 nan 0.000 0.520 274 N N 1.053 119.747 118.700 -0.010 0.000 2.453 274 N HA -0.056 4.677 4.740 -0.012 0.000 0.183 274 N C 1.651 177.168 175.510 0.011 0.000 1.041 274 N CA 0.537 53.598 53.050 0.019 0.000 0.900 274 N CB 0.025 38.521 38.487 0.014 0.000 0.961 274 N HN 0.271 nan 8.380 nan 0.000 0.443 275 I N 0.534 121.055 120.570 -0.082 0.000 2.194 275 I HA -0.252 3.911 4.170 -0.012 0.000 0.246 275 I C 1.395 177.486 176.117 -0.043 0.000 1.093 275 I CA 1.285 62.502 61.300 -0.139 0.000 1.355 275 I CB -0.184 37.563 38.000 -0.421 0.000 1.046 275 I HN 0.127 nan 8.210 nan 0.000 0.413 276 S N -0.565 115.111 115.700 -0.040 0.000 2.574 276 S HA 0.205 4.668 4.470 -0.012 0.000 0.242 276 S C 1.393 176.138 174.600 0.242 0.000 0.982 276 S CA -0.587 57.677 58.200 0.106 0.000 0.977 276 S CB 0.329 63.577 63.200 0.080 0.000 0.814 276 S HN 0.194 nan 8.310 nan 0.000 0.464 277 R N 1.249 121.893 120.500 0.240 0.000 2.062 277 R HA 0.285 4.618 4.340 -0.012 0.000 0.229 277 R C 0.449 177.012 176.300 0.438 0.000 1.128 277 R CA 1.175 57.463 56.100 0.313 0.000 0.960 277 R CB -0.223 30.216 30.300 0.231 0.000 0.855 277 R HN 0.417 nan 8.270 nan 0.000 0.432 278 V N 0.084 120.205 119.914 0.345 0.000 3.012 278 V HA 0.376 4.488 4.120 -0.012 0.000 0.307 278 V C -1.639 174.431 176.094 -0.039 0.000 1.166 278 V CA -1.391 61.038 62.300 0.216 0.000 0.974 278 V CB 1.810 33.677 31.823 0.072 0.000 1.040 278 V HN 0.141 nan 8.190 nan 0.000 0.428 279 L N 6.109 127.086 121.223 -0.409 0.000 2.367 279 L HA 0.504 4.836 4.340 -0.012 0.000 0.275 279 L C -0.927 175.778 176.870 -0.276 0.000 1.129 279 L CA 0.381 54.759 54.840 -0.770 0.000 0.839 279 L CB 0.639 42.157 42.059 -0.902 0.000 1.133 279 L HN 0.688 nan 8.230 nan 0.000 0.453 280 Y N 6.768 126.981 120.300 -0.146 0.000 2.496 280 Y HA 0.208 4.751 4.550 -0.012 0.000 0.334 280 Y C -1.363 174.531 175.900 -0.010 0.000 1.080 280 Y CA -1.355 56.734 58.100 -0.018 0.000 1.355 280 Y CB 0.384 38.861 38.460 0.029 0.000 1.193 280 Y HN 0.568 nan 8.280 nan 0.000 0.523 281 P HA -0.036 nan 4.420 nan 0.000 0.259 281 P C -0.806 176.618 177.300 0.208 0.000 1.480 281 P CA 0.270 63.469 63.100 0.165 0.000 0.842 281 P CB 0.066 31.951 31.700 0.308 0.000 1.513 282 N N 1.411 120.247 118.700 0.227 0.000 2.426 282 N HA 0.153 4.886 4.740 -0.012 0.000 0.275 282 N C -0.673 174.994 175.510 0.261 0.000 1.019 282 N CA 0.073 53.282 53.050 0.266 0.000 0.941 282 N CB 1.135 39.818 38.487 0.327 0.000 1.123 282 N HN 0.080 nan 8.380 nan 0.000 0.486 283 D N 1.230 121.814 120.400 0.307 0.000 2.303 283 D HA 0.200 4.833 4.640 -0.012 0.000 0.236 283 D C -0.322 176.285 176.300 0.513 0.000 1.068 283 D CA -0.317 53.897 54.000 0.357 0.000 0.830 283 D CB 0.288 41.302 40.800 0.357 0.000 1.109 283 D HN 0.275 nan 8.370 nan 0.000 0.496 284 N N 3.045 121.965 118.700 0.366 0.000 2.705 284 N HA -0.261 4.472 4.740 -0.012 0.000 0.255 284 N C -1.358 174.397 175.510 0.408 0.000 1.008 284 N CA 0.808 54.038 53.050 0.301 0.000 0.742 284 N CB -0.897 37.690 38.487 0.167 0.000 0.906 284 N HN 0.384 nan 8.380 nan 0.000 0.541 285 F N 0.467 120.535 119.950 0.197 0.000 2.622 285 F HA 0.433 4.953 4.527 -0.012 0.000 0.318 285 F C -1.274 174.618 175.800 0.153 0.000 1.135 285 F CA -1.158 56.930 58.000 0.146 0.000 1.015 285 F CB 0.925 39.981 39.000 0.094 0.000 1.275 285 F HN -0.015 nan 8.300 nan 0.000 0.457 286 F N 5.562 125.098 119.950 -0.689 0.000 2.404 286 F HA 0.544 5.063 4.527 -0.012 0.000 0.339 286 F C -0.594 174.825 175.800 -0.635 0.000 1.105 286 F CA -0.179 57.496 58.000 -0.541 0.000 1.087 286 F CB 0.968 39.679 39.000 -0.482 0.000 1.143 286 F HN 0.597 nan 8.300 nan 0.000 0.491 287 E N 4.108 123.618 120.200 -1.149 0.000 2.316 287 E HA 0.287 4.630 4.350 -0.012 0.000 0.254 287 E C -0.466 175.366 176.600 -1.279 0.000 0.902 287 E CA -0.731 55.116 56.400 -0.921 0.000 0.801 287 E CB 1.275 30.814 29.700 -0.269 0.000 1.270 287 E HN 0.914 nan 8.360 nan 0.000 0.414 288 G N 5.259 113.222 108.800 -1.395 0.000 3.102 288 G HA2 0.023 3.975 3.960 -0.012 0.000 0.264 288 G HA3 0.023 3.975 3.960 -0.012 0.000 0.264 288 G C -0.025 174.812 174.900 -0.104 0.000 0.788 288 G CA -0.140 44.401 45.100 -0.932 0.000 2.029 288 G HN 0.194 nan 8.290 nan 0.000 0.608 289 K N 0.432 120.827 120.400 -0.009 0.000 2.110 289 K HA 0.186 4.499 4.320 -0.012 0.000 0.263 289 K C 0.944 177.673 176.600 0.215 0.000 0.975 289 K CA -0.655 55.701 56.287 0.115 0.000 0.895 289 K CB 2.173 34.725 32.500 0.087 0.000 1.060 289 K HN 0.420 nan 8.250 nan 0.000 0.448 290 E N 1.422 121.713 120.200 0.152 0.000 2.110 290 E HA -0.196 4.146 4.350 -0.012 0.000 0.193 290 E C 1.538 178.156 176.600 0.030 0.000 0.988 290 E CA 0.901 57.343 56.400 0.070 0.000 0.804 290 E CB 0.182 29.928 29.700 0.076 0.000 0.745 290 E HN 0.381 nan 8.360 nan 0.000 0.458 291 L N 1.313 122.598 121.223 0.102 0.000 2.083 291 L HA -0.160 4.173 4.340 -0.012 0.000 0.209 291 L C 2.401 179.356 176.870 0.142 0.000 1.083 291 L CA 1.744 56.665 54.840 0.134 0.000 0.752 291 L CB -0.493 41.721 42.059 0.259 0.000 0.899 291 L HN -0.008 nan 8.230 nan 0.000 0.433 292 R N -0.730 119.796 120.500 0.044 0.000 2.115 292 R HA -0.131 4.202 4.340 -0.012 0.000 0.230 292 R C 2.052 178.375 176.300 0.039 0.000 1.111 292 R CA 1.630 57.687 56.100 -0.072 0.000 0.976 292 R CB -0.849 29.197 30.300 -0.424 0.000 0.870 292 R HN 0.415 nan 8.270 nan 0.000 0.445 293 L N 0.677 121.824 121.223 -0.127 0.000 2.109 293 L HA 0.008 4.340 4.340 -0.012 0.000 0.207 293 L C 1.604 178.412 176.870 -0.104 0.000 1.086 293 L CA 1.825 56.400 54.840 -0.443 0.000 0.760 293 L CB -0.336 41.169 42.059 -0.923 0.000 0.910 293 L HN 0.117 nan 8.230 nan 0.000 0.437 294 K N -0.946 119.447 120.400 -0.012 0.000 2.097 294 K HA -0.176 4.137 4.320 -0.012 0.000 0.206 294 K C 2.064 178.839 176.600 0.293 0.000 1.049 294 K CA 1.641 58.012 56.287 0.141 0.000 0.933 294 K CB -0.146 32.244 32.500 -0.184 0.000 0.717 294 K HN 0.506 nan 8.250 nan 0.000 0.442 295 Q N 0.657 120.585 119.800 0.212 0.000 2.084 295 Q HA -0.181 4.152 4.340 -0.012 0.000 0.202 295 Q C 1.927 178.121 176.000 0.324 0.000 0.978 295 Q CA 1.387 57.369 55.803 0.298 0.000 0.844 295 Q CB -0.021 28.912 28.738 0.326 0.000 0.898 295 Q HN 0.386 nan 8.270 nan 0.000 0.426 296 E N -0.124 120.218 120.200 0.237 0.000 2.077 296 E HA -0.212 4.131 4.350 -0.012 0.000 0.193 296 E C 1.728 178.434 176.600 0.176 0.000 0.989 296 E CA 1.051 57.572 56.400 0.202 0.000 0.800 296 E CB -0.126 29.668 29.700 0.156 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.273 120.612 120.300 0.065 0.000 2.263 297 Y HA -0.178 4.365 4.550 -0.012 0.000 0.292 297 Y C 1.929 177.845 175.900 0.026 0.000 1.130 297 Y CA 0.885 58.971 58.100 -0.025 0.000 1.179 297 Y CB -0.316 38.082 38.460 -0.104 0.000 0.998 297 Y HN 0.013 nan 8.280 nan 0.000 0.532 298 F N -0.368 119.549 119.950 -0.055 0.000 2.095 298 F HA -0.221 4.299 4.527 -0.012 0.000 0.298 298 F C 2.439 178.082 175.800 -0.262 0.000 1.104 298 F CA 1.957 59.883 58.000 -0.123 0.000 1.232 298 F CB -1.011 38.079 39.000 0.149 0.000 0.987 298 F HN -0.069 nan 8.300 nan 0.000 0.475 299 V N -0.518 119.344 119.914 -0.087 0.000 2.427 299 V HA -0.183 3.930 4.120 -0.012 0.000 0.248 299 V C 2.176 178.109 176.094 -0.268 0.000 1.051 299 V CA 1.849 64.060 62.300 -0.147 0.000 1.048 299 V CB -0.329 31.611 31.823 0.194 0.000 0.666 299 V HN 0.255 nan 8.190 nan 0.000 0.456 300 V N 0.454 120.219 119.914 -0.248 0.000 2.307 300 V HA -0.172 3.940 4.120 -0.012 0.000 0.245 300 V C 2.812 178.643 176.094 -0.438 0.000 1.045 300 V CA 2.129 64.270 62.300 -0.265 0.000 1.024 300 V CB -1.067 30.659 31.823 -0.161 0.000 0.651 300 V HN 0.637 nan 8.190 nan 0.000 0.449 301 A N -0.164 122.226 122.820 -0.717 0.000 1.877 301 A HA -0.109 4.204 4.320 -0.012 0.000 0.216 301 A C 2.392 179.603 177.584 -0.622 0.000 1.186 301 A CA 2.140 53.754 52.037 -0.704 0.000 0.620 301 A CB -0.795 17.573 19.000 -1.055 0.000 0.822 301 A HN 0.566 nan 8.150 nan 0.000 0.443 302 A N -1.111 121.176 122.820 -0.889 0.000 1.898 302 A HA -0.046 4.267 4.320 -0.012 0.000 0.216 302 A C 2.305 179.404 177.584 -0.809 0.000 1.181 302 A CA 2.213 53.546 52.037 -1.173 0.000 0.620 302 A CB -1.236 16.388 19.000 -2.295 0.000 0.819 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.522 114.727 114.554 -0.583 0.000 2.708 303 T HA -0.091 4.252 4.350 -0.012 0.000 0.266 303 T C 1.814 176.242 174.700 -0.453 0.000 1.037 303 T CA 1.454 63.311 62.100 -0.405 0.000 1.146 303 T CB -0.377 68.242 68.868 -0.415 0.000 0.865 303 T HN 0.341 nan 8.240 nan 0.000 0.435 304 L N 0.687 121.692 121.223 -0.364 0.000 2.083 304 L HA -0.144 4.189 4.340 -0.012 0.000 0.209 304 L C 2.896 179.646 176.870 -0.199 0.000 1.083 304 L CA 1.341 56.019 54.840 -0.271 0.000 0.752 304 L CB -0.511 41.427 42.059 -0.202 0.000 0.899 304 L HN 0.351 nan 8.230 nan 0.000 0.433 305 Q N -0.600 119.081 119.800 -0.198 0.000 2.119 305 Q HA -0.236 4.097 4.340 -0.012 0.000 0.201 305 Q C 1.717 177.678 176.000 -0.065 0.000 0.972 305 Q CA 1.574 57.310 55.803 -0.112 0.000 0.847 305 Q CB -0.095 28.567 28.738 -0.126 0.000 0.903 305 Q HN 0.386 nan 8.270 nan 0.000 0.433 306 D N 0.552 120.904 120.400 -0.080 0.000 2.144 306 D HA -0.087 4.545 4.640 -0.012 0.000 0.200 306 D C 1.629 177.872 176.300 -0.095 0.000 0.978 306 D CA 0.836 54.832 54.000 -0.007 0.000 0.833 306 D CB 0.041 40.932 40.800 0.151 0.000 0.961 306 D HN 0.173 nan 8.370 nan 0.000 0.470 307 I N 0.276 120.696 120.570 -0.251 0.000 2.252 307 I HA -0.207 3.956 4.170 -0.012 0.000 0.245 307 I C 2.018 178.149 176.117 0.023 0.000 1.102 307 I CA 0.414 61.518 61.300 -0.327 0.000 1.385 307 I CB -0.055 37.595 38.000 -0.584 0.000 1.064 307 I HN 0.059 nan 8.210 nan 0.000 0.414 308 I N 0.675 121.305 120.570 0.100 0.000 2.179 308 I HA -0.273 3.890 4.170 -0.012 0.000 0.242 308 I C 2.658 178.933 176.117 0.264 0.000 1.088 308 I CA 1.460 62.932 61.300 0.287 0.000 1.357 308 I CB -1.342 36.770 38.000 0.188 0.000 1.051 308 I HN 0.312 nan 8.210 nan 0.000 0.409 309 R N 1.188 121.765 120.500 0.129 0.000 2.096 309 R HA -0.224 4.109 4.340 -0.012 0.000 0.240 309 R C 2.514 178.865 176.300 0.085 0.000 1.139 309 R CA 1.950 58.103 56.100 0.089 0.000 0.952 309 R CB -0.293 30.031 30.300 0.040 0.000 0.854 309 R HN 0.209 nan 8.270 nan 0.000 0.436 310 R N -0.622 119.926 120.500 0.080 0.000 2.115 310 R HA -0.158 4.175 4.340 -0.012 0.000 0.230 310 R C 2.122 178.506 176.300 0.140 0.000 1.111 310 R CA 1.519 57.668 56.100 0.082 0.000 0.976 310 R CB -0.334 30.002 30.300 0.061 0.000 0.870 310 R HN 0.302 nan 8.270 nan 0.000 0.445 311 F N 1.445 121.427 119.950 0.055 0.000 2.146 311 F HA -0.048 4.471 4.527 -0.012 0.000 0.298 311 F C 1.506 177.320 175.800 0.024 0.000 1.096 311 F CA 1.430 59.465 58.000 0.058 0.000 1.275 311 F CB 0.013 39.112 39.000 0.166 0.000 1.008 311 F HN -0.151 nan 8.300 nan 0.000 0.480 312 K N -0.267 120.085 120.400 -0.081 0.000 2.442 312 K HA -0.012 4.301 4.320 -0.012 0.000 0.198 312 K C 1.207 177.701 176.600 -0.176 0.000 1.042 312 K CA 0.962 57.118 56.287 -0.218 0.000 0.958 312 K CB -0.218 32.269 32.500 -0.022 0.000 0.766 312 K HN 0.132 nan 8.250 nan 0.000 0.474 313 S N 0.449 116.093 115.700 -0.092 0.000 2.573 313 S HA 0.079 4.542 4.470 -0.012 0.000 0.244 313 S C -0.016 174.575 174.600 -0.015 0.000 0.984 313 S CA -0.353 57.840 58.200 -0.011 0.000 1.001 313 S CB 0.375 63.613 63.200 0.063 0.000 0.788 313 S HN 0.167 nan 8.310 nan 0.000 0.456 325 N N 0.832 119.517 118.700 -0.026 0.000 2.419 325 N HA 0.480 5.213 4.740 -0.012 0.000 0.277 325 N C 0.164 175.724 175.510 0.083 0.000 1.006 325 N CA -0.909 52.189 53.050 0.079 0.000 0.923 325 N CB 0.624 39.169 38.487 0.096 0.000 1.140 325 N HN 0.313 nan 8.380 nan 0.000 0.488 326 F N 0.648 120.684 119.950 0.143 0.000 2.754 326 F HA 0.069 4.589 4.527 -0.012 0.000 0.303 326 F C 1.211 177.075 175.800 0.108 0.000 1.196 326 F CA -0.042 58.032 58.000 0.123 0.000 1.416 326 F CB 0.141 39.074 39.000 -0.112 0.000 1.092 326 F HN 0.460 nan 8.300 nan 0.000 0.541 327 D N 0.508 121.048 120.400 0.233 0.000 2.219 327 D HA -0.139 4.494 4.640 -0.012 0.000 0.205 327 D C 2.165 178.559 176.300 0.157 0.000 0.970 327 D CA 1.121 55.216 54.000 0.159 0.000 0.851 327 D CB 0.001 40.869 40.800 0.113 0.000 0.943 327 D HN 0.268 nan 8.370 nan 0.000 0.488 328 A N -0.671 122.270 122.820 0.202 0.000 2.275 328 A HA 0.114 4.427 4.320 -0.012 0.000 0.212 328 A C 1.528 179.239 177.584 0.211 0.000 1.201 328 A CA -0.313 51.841 52.037 0.194 0.000 0.843 328 A CB -0.753 18.367 19.000 0.201 0.000 0.873 328 A HN 0.223 nan 8.150 nan 0.000 0.492 329 F N 1.867 121.798 119.950 -0.031 0.000 2.065 329 F HA -0.158 4.362 4.527 -0.012 0.000 0.298 329 F C -0.771 174.931 175.800 -0.164 0.000 1.112 329 F CA 2.584 60.367 58.000 -0.363 0.000 1.212 329 F CB -0.583 38.214 39.000 -0.339 0.000 0.975 329 F HN 0.201 nan 8.300 nan 0.000 0.476 330 P HA -0.109 nan 4.420 nan 0.000 0.225 330 P C 0.685 177.939 177.300 -0.078 0.000 1.148 330 P CA 1.532 64.594 63.100 -0.063 0.000 0.779 330 P CB -0.055 31.642 31.700 -0.006 0.000 0.780 331 D N -1.088 119.291 120.400 -0.035 0.000 2.323 331 D HA -0.012 4.620 4.640 -0.012 0.000 0.209 331 D C 1.447 177.735 176.300 -0.021 0.000 0.973 331 D CA 0.852 54.845 54.000 -0.012 0.000 0.874 331 D CB 0.151 40.965 40.800 0.025 0.000 0.930 331 D HN 0.138 nan 8.370 nan 0.000 0.521 332 K N 0.079 120.445 120.400 -0.056 0.000 2.402 332 K HA 0.218 4.531 4.320 -0.012 0.000 0.203 332 K C -0.132 176.385 176.600 -0.138 0.000 1.077 332 K CA 0.038 56.305 56.287 -0.034 0.000 1.051 332 K CB 2.410 34.996 32.500 0.144 0.000 0.907 332 K HN -0.071 nan 8.250 nan 0.000 0.554 333 V N 0.817 120.558 119.914 -0.289 0.000 2.686 333 V HA 0.637 4.750 4.120 -0.012 0.000 0.306 333 V C -1.198 174.794 176.094 -0.170 0.000 1.065 333 V CA -1.294 60.829 62.300 -0.296 0.000 0.894 333 V CB 1.919 33.269 31.823 -0.788 0.000 1.004 333 V HN 0.100 nan 8.190 nan 0.000 0.424 334 A N 5.547 128.324 122.820 -0.071 0.000 2.343 334 A HA 0.916 5.229 4.320 -0.012 0.000 0.308 334 A C -1.021 176.577 177.584 0.023 0.000 1.092 334 A CA -0.431 51.587 52.037 -0.032 0.000 0.751 334 A CB 0.995 19.900 19.000 -0.159 0.000 1.203 334 A HN 0.765 nan 8.150 nan 0.000 0.452 335 I N 2.029 122.661 120.570 0.104 0.000 2.382 335 I HA 0.303 4.465 4.170 -0.012 0.000 0.286 335 I C -0.340 175.869 176.117 0.154 0.000 1.002 335 I CA -0.555 60.822 61.300 0.130 0.000 1.135 335 I CB 1.916 39.974 38.000 0.097 0.000 1.288 335 I HN 0.707 nan 8.210 nan 0.000 0.448 336 Q N 6.117 126.007 119.800 0.150 0.000 2.314 336 Q HA 0.468 4.800 4.340 -0.012 0.000 0.259 336 Q C -1.474 174.532 176.000 0.010 0.000 0.951 336 Q CA -0.498 55.425 55.803 0.200 0.000 0.909 336 Q CB 1.332 30.309 28.738 0.398 0.000 1.236 336 Q HN 0.438 nan 8.270 nan 0.000 0.444 337 L N 4.162 125.427 121.223 0.069 0.000 2.261 337 L HA 0.344 4.677 4.340 -0.012 0.000 0.289 337 L C -0.231 176.660 176.870 0.034 0.000 1.059 337 L CA -0.236 54.633 54.840 0.047 0.000 0.816 337 L CB 0.668 42.809 42.059 0.137 0.000 1.191 337 L HN 0.598 nan 8.230 nan 0.000 0.431 338 N N 4.153 122.791 118.700 -0.104 0.000 2.508 338 N HA 0.150 4.882 4.740 -0.012 0.000 0.253 338 N C -0.130 175.412 175.510 0.052 0.000 1.145 338 N CA 0.510 53.556 53.050 -0.006 0.000 0.973 338 N CB -0.114 38.296 38.487 -0.128 0.000 1.305 338 N HN 0.583 nan 8.380 nan 0.000 0.506 339 D N -0.141 120.372 120.400 0.188 0.000 4.259 339 D HA -0.219 4.414 4.640 -0.012 0.000 0.290 339 D C 0.335 176.758 176.300 0.205 0.000 2.199 339 D CA 1.482 55.592 54.000 0.183 0.000 1.194 339 D CB -0.677 39.980 40.800 -0.239 0.000 1.003 339 D HN 0.477 nan 8.370 nan 0.000 1.204 340 T N -2.420 112.198 114.554 0.107 0.000 3.129 340 T HA 0.107 4.450 4.350 -0.012 0.000 0.251 340 T C 1.680 176.485 174.700 0.175 0.000 1.117 340 T CA 1.512 63.647 62.100 0.059 0.000 1.034 340 T CB -0.519 68.345 68.868 -0.007 0.000 0.968 340 T HN 0.506 nan 8.240 nan 0.000 0.526 341 H N 2.618 121.776 119.070 0.147 0.000 2.353 341 H HA -0.020 4.529 4.556 -0.012 0.000 0.298 341 H C -0.776 174.639 175.328 0.145 0.000 1.103 341 H CA 1.109 57.258 56.048 0.169 0.000 1.293 341 H CB -0.761 29.103 29.762 0.170 0.000 1.372 341 H HN 0.448 nan 8.280 nan 0.000 0.501 342 P HA 0.083 nan 4.420 nan 0.000 0.262 342 P C 0.767 178.114 177.300 0.078 0.000 1.651 342 P CA 0.373 63.555 63.100 0.137 0.000 1.119 342 P CB 0.433 32.201 31.700 0.114 0.000 1.552 343 S N 0.017 115.759 115.700 0.069 0.000 2.419 343 S HA -0.131 4.332 4.470 -0.012 0.000 0.235 343 S C 1.797 176.402 174.600 0.009 0.000 1.019 343 S CA 0.789 58.990 58.200 0.002 0.000 0.982 343 S CB -1.482 61.695 63.200 -0.038 0.000 0.789 343 S HN 0.149 nan 8.310 nan 0.000 0.490 344 L N 1.019 122.262 121.223 0.033 0.000 2.549 344 L HA 0.037 4.370 4.340 -0.012 0.000 0.230 344 L C 2.881 179.788 176.870 0.062 0.000 1.162 344 L CA 0.575 55.438 54.840 0.038 0.000 0.834 344 L CB -0.732 41.351 42.059 0.040 0.000 0.947 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.563 123.400 122.820 0.029 0.000 1.933 345 A HA -0.183 4.130 4.320 -0.012 0.000 0.218 345 A C 2.192 179.777 177.584 0.003 0.000 1.175 345 A CA 1.395 53.435 52.037 0.005 0.000 0.628 345 A CB -0.427 18.569 19.000 -0.008 0.000 0.814 345 A HN 0.363 nan 8.150 nan 0.000 0.444 346 I N 0.329 120.903 120.570 0.005 0.000 2.113 346 I HA -0.160 4.003 4.170 -0.012 0.000 0.238 346 I C -0.338 175.797 176.117 0.031 0.000 1.070 346 I CA 1.668 62.971 61.300 0.004 0.000 1.332 346 I CB -1.088 36.920 38.000 0.012 0.000 1.044 346 I HN 0.268 nan 8.210 nan 0.000 0.402 347 P HA -0.145 nan 4.420 nan 0.000 0.225 347 P C 1.212 178.521 177.300 0.015 0.000 1.156 347 P CA 1.383 64.508 63.100 0.042 0.000 0.787 347 P CB 0.072 31.813 31.700 0.068 0.000 0.802 348 E N 0.401 120.671 120.200 0.117 0.000 2.107 348 E HA -0.130 4.212 4.350 -0.012 0.000 0.191 348 E C 1.926 178.504 176.600 -0.037 0.000 0.982 348 E CA 0.583 57.068 56.400 0.141 0.000 0.809 348 E CB -1.173 28.665 29.700 0.230 0.000 0.756 348 E HN -0.010 nan 8.360 nan 0.000 0.459 349 L N -0.003 121.173 121.223 -0.079 0.000 2.046 349 L HA -0.083 4.250 4.340 -0.012 0.000 0.208 349 L C 2.074 178.800 176.870 -0.241 0.000 1.077 349 L CA 1.695 56.431 54.840 -0.174 0.000 0.747 349 L CB -0.515 41.448 42.059 -0.160 0.000 0.896 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 M N -0.813 118.661 119.600 -0.210 0.000 2.117 350 M HA -0.206 4.267 4.480 -0.012 0.000 0.262 350 M C 2.432 178.558 176.300 -0.290 0.000 1.065 350 M CA 1.531 56.651 55.300 -0.299 0.000 1.114 350 M CB -1.202 31.203 32.600 -0.325 0.000 1.361 350 M HN 0.326 nan 8.290 nan 0.000 0.408 351 R N -0.022 120.332 120.500 -0.244 0.000 2.083 351 R HA -0.137 4.196 4.340 -0.012 0.000 0.237 351 R C 2.053 178.241 176.300 -0.186 0.000 1.137 351 R CA 1.669 57.628 56.100 -0.236 0.000 0.951 351 R CB -0.178 29.923 30.300 -0.331 0.000 0.851 351 R HN 0.208 nan 8.270 nan 0.000 0.434 352 V N 1.321 121.123 119.914 -0.186 0.000 2.307 352 V HA -0.234 3.879 4.120 -0.012 0.000 0.245 352 V C 2.387 178.319 176.094 -0.271 0.000 1.045 352 V CA 1.650 63.837 62.300 -0.187 0.000 1.024 352 V CB -0.356 31.353 31.823 -0.190 0.000 0.651 352 V HN 0.337 nan 8.190 nan 0.000 0.449 353 L N -0.676 120.322 121.223 -0.376 0.000 2.056 353 L HA -0.128 4.205 4.340 -0.012 0.000 0.207 353 L C 2.373 179.060 176.870 -0.305 0.000 1.078 353 L CA 1.116 55.670 54.840 -0.477 0.000 0.749 353 L CB -0.580 41.151 42.059 -0.547 0.000 0.901 353 L HN 0.202 nan 8.230 nan 0.000 0.433 354 V N -0.678 119.094 119.914 -0.236 0.000 2.331 354 V HA -0.169 3.944 4.120 -0.012 0.000 0.242 354 V C 1.963 178.012 176.094 -0.076 0.000 1.034 354 V CA 1.606 63.827 62.300 -0.131 0.000 1.027 354 V CB -0.326 31.439 31.823 -0.097 0.000 0.667 354 V HN 0.335 nan 8.190 nan 0.000 0.457 355 D N 0.093 120.442 120.400 -0.085 0.000 2.123 355 D HA -0.025 4.608 4.640 -0.012 0.000 0.200 355 D C 2.061 178.333 176.300 -0.048 0.000 0.976 355 D CA 1.228 55.197 54.000 -0.053 0.000 0.831 355 D CB 0.002 40.767 40.800 -0.059 0.000 0.974 355 D HN 0.319 nan 8.370 nan 0.000 0.469 356 L N 0.264 121.444 121.223 -0.071 0.000 2.200 356 L HA 0.086 4.419 4.340 -0.012 0.000 0.200 356 L C 1.979 178.823 176.870 -0.043 0.000 1.072 356 L CA 0.562 55.372 54.840 -0.049 0.000 0.787 356 L CB -0.090 41.940 42.059 -0.049 0.000 0.957 356 L HN -0.178 nan 8.230 nan 0.000 0.459 357 E N 0.268 120.412 120.200 -0.093 0.000 2.371 357 E HA -0.012 4.331 4.350 -0.012 0.000 0.194 357 E C 0.168 176.748 176.600 -0.034 0.000 1.012 357 E CA 0.031 56.394 56.400 -0.061 0.000 0.860 357 E CB 0.220 29.794 29.700 -0.210 0.000 0.811 357 E HN 0.171 nan 8.360 nan 0.000 0.502 358 R N -0.351 120.117 120.500 -0.053 0.000 3.656 358 R HA -0.175 4.158 4.340 -0.012 0.000 0.297 358 R C -0.459 175.833 176.300 -0.014 0.000 1.166 358 R CA 0.204 56.293 56.100 -0.019 0.000 0.799 358 R CB -2.795 27.511 30.300 0.010 0.000 1.285 358 R HN 0.086 nan 8.270 nan 0.000 0.477 359 L N 1.810 122.998 121.223 -0.059 0.000 2.439 359 L HA 0.192 4.525 4.340 -0.012 0.000 0.261 359 L C 1.449 178.315 176.870 -0.007 0.000 1.153 359 L CA 0.133 54.950 54.840 -0.039 0.000 0.808 359 L CB 0.402 42.395 42.059 -0.109 0.000 1.126 359 L HN 0.143 nan 8.230 nan 0.000 0.460 360 D N 0.453 120.874 120.400 0.033 0.000 2.362 360 D HA -0.123 4.510 4.640 -0.012 0.000 0.242 360 D C 0.937 177.305 176.300 0.114 0.000 1.132 360 D CA -0.532 53.520 54.000 0.088 0.000 0.907 360 D CB 0.740 41.598 40.800 0.096 0.000 1.195 360 D HN 0.590 nan 8.370 nan 0.000 0.429 361 W N 2.059 123.360 121.300 0.001 0.000 2.298 361 W HA -0.264 4.389 4.660 -0.012 0.000 0.328 361 W C 1.170 177.729 176.519 0.066 0.000 1.259 361 W CA 2.105 59.456 57.345 0.010 0.000 1.251 361 W CB -0.459 28.986 29.460 -0.025 0.000 1.161 361 W HN 0.464 nan 8.180 nan 0.000 0.466 362 D N 0.229 120.851 120.400 0.369 0.000 2.149 362 D HA -0.228 4.405 4.640 -0.012 0.000 0.194 362 D C 2.038 178.446 176.300 0.180 0.000 1.001 362 D CA 1.700 55.879 54.000 0.297 0.000 0.849 362 D CB -0.509 40.431 40.800 0.233 0.000 0.939 362 D HN 0.082 nan 8.370 nan 0.000 0.449 363 K N 0.915 121.377 120.400 0.103 0.000 2.031 363 K HA 0.017 4.330 4.320 -0.012 0.000 0.205 363 K C 1.962 178.557 176.600 -0.008 0.000 1.049 363 K CA 1.090 57.410 56.287 0.054 0.000 0.939 363 K CB -0.385 32.141 32.500 0.043 0.000 0.717 363 K HN 0.042 nan 8.250 nan 0.000 0.438 364 A N 0.890 123.661 122.820 -0.081 0.000 1.940 364 A HA -0.193 4.120 4.320 -0.012 0.000 0.219 364 A C 2.169 179.664 177.584 -0.147 0.000 1.176 364 A CA 1.364 53.284 52.037 -0.195 0.000 0.631 364 A CB -1.069 17.744 19.000 -0.310 0.000 0.814 364 A HN 0.679 nan 8.150 nan 0.000 0.446 365 W N 0.559 121.656 121.300 -0.339 0.000 2.388 365 W HA -0.145 4.508 4.660 -0.012 0.000 0.294 365 W C 1.963 178.425 176.519 -0.096 0.000 1.212 365 W CA 1.629 58.823 57.345 -0.252 0.000 1.271 365 W CB -0.043 29.313 29.460 -0.173 0.000 1.126 365 W HN 0.607 nan 8.180 nan 0.000 0.535 366 E N 0.154 120.349 120.200 -0.008 0.000 2.051 366 E HA -0.219 4.124 4.350 -0.012 0.000 0.192 366 E C 2.046 178.569 176.600 -0.128 0.000 0.991 366 E CA 1.815 58.170 56.400 -0.074 0.000 0.799 366 E CB -0.296 29.418 29.700 0.023 0.000 0.748 366 E HN 0.053 nan 8.360 nan 0.000 0.449 367 V N 0.779 120.635 119.914 -0.097 0.000 2.295 367 V HA -0.268 3.845 4.120 -0.012 0.000 0.246 367 V C 2.419 178.449 176.094 -0.107 0.000 1.049 367 V CA 2.212 64.472 62.300 -0.067 0.000 1.024 367 V CB -0.838 30.935 31.823 -0.084 0.000 0.648 367 V HN 0.386 nan 8.190 nan 0.000 0.447 368 T N 0.200 114.623 114.554 -0.218 0.000 2.635 368 T HA -0.207 4.136 4.350 -0.012 0.000 0.267 368 T C 1.929 176.452 174.700 -0.294 0.000 1.040 368 T CA 1.923 63.870 62.100 -0.256 0.000 1.156 368 T CB -0.364 68.304 68.868 -0.333 0.000 0.863 368 T HN 0.283 nan 8.240 nan 0.000 0.430 369 V N 1.393 121.007 119.914 -0.501 0.000 2.407 369 V HA -0.169 3.944 4.120 -0.012 0.000 0.248 369 V C 2.320 178.361 176.094 -0.089 0.000 1.055 369 V CA 1.606 63.673 62.300 -0.388 0.000 1.049 369 V CB -0.522 30.990 31.823 -0.518 0.000 0.662 369 V HN 0.486 nan 8.190 nan 0.000 0.455 370 K N -0.080 120.252 120.400 -0.112 0.000 2.365 370 K HA -0.087 4.225 4.320 -0.012 0.000 0.199 370 K C 2.148 178.707 176.600 -0.068 0.000 1.045 370 K CA 1.504 57.714 56.287 -0.130 0.000 0.962 370 K CB -0.165 32.263 32.500 -0.120 0.000 0.759 370 K HN 0.645 nan 8.250 nan 0.000 0.469 371 T N -1.811 112.767 114.554 0.040 0.000 3.015 371 T HA 0.078 4.421 4.350 -0.012 0.000 0.250 371 T C 0.716 175.519 174.700 0.173 0.000 1.057 371 T CA -0.268 61.888 62.100 0.094 0.000 1.066 371 T CB -0.023 68.919 68.868 0.122 0.000 0.959 371 T HN 0.021 nan 8.240 nan 0.000 0.488 372 C N 2.664 122.057 119.300 0.156 0.000 2.365 372 C HA 0.914 5.367 4.460 -0.012 0.000 0.351 372 C C 0.576 175.636 174.990 0.117 0.000 1.240 372 C CA -0.819 58.274 59.018 0.124 0.000 2.062 372 C CB 0.136 27.886 27.740 0.016 0.000 2.387 372 C HN 0.744 nan 8.230 nan 0.000 0.537 373 A N 2.494 125.377 122.820 0.105 0.000 2.449 373 A HA 0.747 5.060 4.320 -0.012 0.000 0.302 373 A C -1.500 176.162 177.584 0.130 0.000 1.048 373 A CA -0.411 51.635 52.037 0.015 0.000 0.708 373 A CB 0.989 20.034 19.000 0.075 0.000 1.274 373 A HN 0.934 nan 8.150 nan 0.000 0.410 374 Y N 1.215 121.469 120.300 -0.077 0.000 2.376 374 Y HA 0.648 5.191 4.550 -0.012 0.000 0.340 374 Y C -0.481 175.404 175.900 -0.025 0.000 0.965 374 Y CA -0.314 57.755 58.100 -0.053 0.000 1.078 374 Y CB 2.065 40.454 38.460 -0.117 0.000 1.193 374 Y HN 0.555 nan 8.280 nan 0.000 0.452 375 T N 6.575 120.884 114.554 -0.408 0.000 2.770 375 T HA 0.183 4.526 4.350 -0.012 0.000 0.283 375 T C -0.803 173.411 174.700 -0.810 0.000 0.988 375 T CA -0.793 61.016 62.100 -0.485 0.000 0.957 375 T CB 0.350 69.170 68.868 -0.080 0.000 0.930 375 T HN 0.642 nan 8.240 nan 0.000 0.443 376 N N 1.802 120.039 118.700 -0.773 0.000 2.479 376 N HA 0.125 4.858 4.740 -0.012 0.000 0.285 376 N C 0.142 175.520 175.510 -0.221 0.000 1.075 376 N CA -0.282 52.544 53.050 -0.374 0.000 0.967 376 N CB 0.810 39.258 38.487 -0.065 0.000 1.137 376 N HN 0.635 nan 8.380 nan 0.000 0.472 377 H N 0.942 120.038 119.070 0.043 0.000 2.827 377 H HA 0.160 4.709 4.556 -0.012 0.000 0.269 377 H C -0.074 175.172 175.328 -0.136 0.000 1.031 377 H CA 0.184 56.211 56.048 -0.036 0.000 1.202 377 H CB 1.096 30.841 29.762 -0.028 0.000 1.511 377 H HN 0.574 nan 8.280 nan 0.000 0.517 378 T N -0.253 114.319 114.554 0.031 0.000 2.786 378 T HA 0.264 4.607 4.350 -0.012 0.000 0.316 378 T C 0.225 174.932 174.700 0.011 0.000 1.503 378 T CA -0.197 61.863 62.100 -0.067 0.000 1.019 378 T CB 1.112 69.940 68.868 -0.067 0.000 1.415 378 T HN -0.079 nan 8.240 nan 0.000 0.496 379 V N 1.253 121.135 119.914 -0.054 0.000 3.477 379 V HA 0.503 4.616 4.120 -0.012 0.000 0.297 379 V C 0.911 176.961 176.094 -0.073 0.000 1.433 379 V CA 0.041 62.306 62.300 -0.058 0.000 1.052 379 V CB -0.687 31.102 31.823 -0.056 0.000 0.895 379 V HN 0.821 nan 8.190 nan 0.000 0.438 380 I N -0.055 120.458 120.570 -0.094 0.000 2.598 380 I HA 0.292 4.455 4.170 -0.012 0.000 0.284 380 I C -0.531 175.575 176.117 -0.018 0.000 1.140 380 I CA -1.461 59.806 61.300 -0.055 0.000 1.420 380 I CB 0.559 38.506 38.000 -0.088 0.000 1.387 380 I HN -0.021 nan 8.210 nan 0.000 0.553 381 P HA -0.252 nan 4.420 nan 0.000 0.216 381 P C 1.088 178.380 177.300 -0.012 0.000 1.150 381 P CA 1.657 64.753 63.100 -0.007 0.000 0.843 381 P CB -0.074 31.629 31.700 0.004 0.000 0.787 382 E N 0.357 120.573 120.200 0.027 0.000 2.338 382 E HA -0.073 4.270 4.350 -0.012 0.000 0.197 382 E C 1.740 178.289 176.600 -0.085 0.000 1.007 382 E CA 1.182 57.577 56.400 -0.010 0.000 0.849 382 E CB -0.798 28.999 29.700 0.162 0.000 0.774 382 E HN 0.235 nan 8.360 nan 0.000 0.506 383 A N 1.186 124.003 122.820 -0.005 0.000 2.147 383 A HA 0.168 4.481 4.320 -0.012 0.000 0.211 383 A C 1.254 178.817 177.584 -0.035 0.000 1.160 383 A CA -0.255 51.796 52.037 0.024 0.000 0.781 383 A CB 0.046 19.088 19.000 0.070 0.000 0.842 383 A HN 0.132 nan 8.150 nan 0.000 0.475 384 L N 1.874 123.035 121.223 -0.102 0.000 2.455 384 L HA 0.089 4.422 4.340 -0.012 0.000 0.272 384 L C -0.005 176.531 176.870 -0.557 0.000 1.174 384 L CA 0.598 55.316 54.840 -0.204 0.000 0.869 384 L CB 0.105 42.076 42.059 -0.147 0.000 1.130 384 L HN 0.427 nan 8.230 nan 0.000 0.474 385 E N 5.034 124.803 120.200 -0.718 0.000 2.223 385 E HA 0.219 4.562 4.350 -0.012 0.000 0.282 385 E C -0.486 175.480 176.600 -1.058 0.000 1.046 385 E CA -0.251 55.252 56.400 -1.495 0.000 0.857 385 E CB 0.729 29.899 29.700 -0.882 0.000 1.055 385 E HN 0.378 nan 8.360 nan 0.000 0.409 386 R N 3.896 123.668 120.500 -1.213 0.000 2.472 386 R HA 0.210 4.543 4.340 -0.012 0.000 0.294 386 R C -1.227 174.895 176.300 -0.297 0.000 1.243 386 R CA -0.602 55.210 56.100 -0.481 0.000 1.023 386 R CB 0.841 30.987 30.300 -0.256 0.000 1.157 386 R HN 0.434 nan 8.270 nan 0.000 0.530 387 W N 4.142 125.395 121.300 -0.078 0.000 2.316 387 W HA 0.290 4.943 4.660 -0.012 0.000 0.311 387 W C -1.962 174.527 176.519 -0.050 0.000 1.217 387 W CA -2.183 55.170 57.345 0.014 0.000 1.199 387 W CB 0.749 30.198 29.460 -0.019 0.000 1.202 387 W HN 0.244 nan 8.180 nan 0.000 0.528 388 P HA -0.074 nan 4.420 nan 0.000 0.267 388 P C 0.790 178.019 177.300 -0.119 0.000 1.205 388 P CA 0.182 63.248 63.100 -0.057 0.000 0.765 388 P CB 0.807 32.323 31.700 -0.307 0.000 0.828 389 V N 3.315 123.210 119.914 -0.033 0.000 2.392 389 V HA -0.283 3.830 4.120 -0.012 0.000 0.249 389 V C 2.086 178.179 176.094 -0.001 0.000 1.059 389 V CA 2.504 64.806 62.300 0.004 0.000 1.051 389 V CB -1.715 30.174 31.823 0.111 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.082 118.043 119.070 0.092 0.000 2.489 390 H HA -0.092 4.457 4.556 -0.012 0.000 0.293 390 H C 1.980 177.355 175.328 0.078 0.000 1.066 390 H CA 1.653 57.751 56.048 0.083 0.000 1.305 390 H CB -0.432 29.380 29.762 0.083 0.000 1.386 390 H HN 0.395 nan 8.280 nan 0.000 0.551 391 L N -0.173 120.919 121.223 -0.219 0.000 2.068 391 L HA -0.002 4.331 4.340 -0.012 0.000 0.204 391 L C 2.185 179.015 176.870 -0.067 0.000 1.076 391 L CA 0.724 55.521 54.840 -0.071 0.000 0.753 391 L CB -0.113 41.887 42.059 -0.098 0.000 0.910 391 L HN 0.326 nan 8.230 nan 0.000 0.439 392 L N -0.373 120.783 121.223 -0.112 0.000 2.093 392 L HA -0.241 4.092 4.340 -0.012 0.000 0.208 392 L C 2.447 179.253 176.870 -0.107 0.000 1.085 392 L CA 1.266 56.011 54.840 -0.159 0.000 0.755 392 L CB -0.428 41.525 42.059 -0.176 0.000 0.904 392 L HN 0.363 nan 8.230 nan 0.000 0.435 393 E N -0.346 119.833 120.200 -0.035 0.000 2.110 393 E HA -0.200 4.143 4.350 -0.012 0.000 0.193 393 E C 1.885 178.522 176.600 0.061 0.000 0.988 393 E CA 1.767 58.177 56.400 0.017 0.000 0.804 393 E CB 0.165 29.911 29.700 0.078 0.000 0.745 393 E HN 0.382 nan 8.360 nan 0.000 0.458 394 T N 0.619 115.233 114.554 0.099 0.000 2.852 394 T HA -0.055 4.288 4.350 -0.012 0.000 0.256 394 T C 1.665 176.488 174.700 0.205 0.000 1.038 394 T CA 0.694 62.905 62.100 0.185 0.000 1.141 394 T CB -0.099 68.907 68.868 0.230 0.000 0.869 394 T HN 0.074 nan 8.240 nan 0.000 0.439 395 L N 0.137 121.381 121.223 0.035 0.000 2.127 395 L HA 0.342 4.675 4.340 -0.012 0.000 0.203 395 L C 0.324 177.131 176.870 -0.105 0.000 1.080 395 L CA 1.575 56.318 54.840 -0.161 0.000 0.768 395 L CB 0.024 41.955 42.059 -0.213 0.000 0.924 395 L HN 0.170 nan 8.230 nan 0.000 0.444 396 L N -0.355 120.765 121.223 -0.173 0.000 2.529 396 L HA 0.285 4.618 4.340 -0.012 0.000 0.246 396 L C -1.822 174.865 176.870 -0.305 0.000 1.394 396 L CA -1.187 53.461 54.840 -0.321 0.000 0.906 396 L CB 0.819 42.519 42.059 -0.597 0.000 1.170 396 L HN -0.080 nan 8.230 nan 0.000 0.501 397 P HA -0.230 nan 4.420 nan 0.000 0.215 397 P C 1.659 178.762 177.300 -0.328 0.000 1.163 397 P CA 1.318 64.294 63.100 -0.207 0.000 0.894 397 P CB 0.247 31.890 31.700 -0.095 0.000 0.791 398 R N -1.053 119.068 120.500 -0.632 0.000 2.081 398 R HA -0.167 4.166 4.340 -0.012 0.000 0.235 398 R C 2.162 178.165 176.300 -0.495 0.000 1.131 398 R CA 1.739 57.483 56.100 -0.593 0.000 0.960 398 R CB -1.324 28.457 30.300 -0.864 0.000 0.856 398 R HN 0.257 nan 8.270 nan 0.000 0.436 399 H N -0.420 118.326 119.070 -0.541 0.000 2.421 399 H HA -0.082 4.467 4.556 -0.012 0.000 0.298 399 H C 1.582 176.735 175.328 -0.293 0.000 1.087 399 H CA 1.539 57.359 56.048 -0.379 0.000 1.330 399 H CB -0.141 29.363 29.762 -0.430 0.000 1.388 399 H HN 0.158 nan 8.280 nan 0.000 0.526 400 L N 0.712 121.811 121.223 -0.207 0.000 2.141 400 L HA -0.150 4.183 4.340 -0.012 0.000 0.209 400 L C 1.843 178.534 176.870 -0.298 0.000 1.094 400 L CA 1.544 56.200 54.840 -0.307 0.000 0.763 400 L CB -0.371 41.514 42.059 -0.288 0.000 0.908 400 L HN 0.252 nan 8.230 nan 0.000 0.437 401 Q N -0.665 119.059 119.800 -0.127 0.000 2.119 401 Q HA -0.156 4.177 4.340 -0.012 0.000 0.201 401 Q C 2.286 178.308 176.000 0.036 0.000 0.972 401 Q CA 1.836 57.652 55.803 0.021 0.000 0.847 401 Q CB -0.147 28.610 28.738 0.031 0.000 0.903 401 Q HN 0.563 nan 8.270 nan 0.000 0.433 402 I N 0.460 121.028 120.570 -0.004 0.000 2.315 402 I HA -0.254 3.908 4.170 -0.012 0.000 0.248 402 I C 2.130 178.317 176.117 0.117 0.000 1.117 402 I CA 0.989 62.364 61.300 0.125 0.000 1.404 402 I CB -0.140 37.875 38.000 0.025 0.000 1.071 402 I HN 0.193 nan 8.210 nan 0.000 0.419 403 I N -0.414 120.147 120.570 -0.015 0.000 2.252 403 I HA -0.308 3.855 4.170 -0.012 0.000 0.245 403 I C 2.432 178.568 176.117 0.033 0.000 1.102 403 I CA 1.413 62.694 61.300 -0.032 0.000 1.385 403 I CB -0.412 37.501 38.000 -0.146 0.000 1.064 403 I HN 0.154 nan 8.210 nan 0.000 0.414 404 Y N 0.964 121.267 120.300 0.004 0.000 2.181 404 Y HA -0.263 4.279 4.550 -0.012 0.000 0.288 404 Y C 2.610 178.477 175.900 -0.055 0.000 1.146 404 Y CA 1.488 59.578 58.100 -0.016 0.000 1.164 404 Y CB -0.730 37.714 38.460 -0.028 0.000 0.982 404 Y HN 0.189 nan 8.280 nan 0.000 0.515 405 E N 0.313 120.558 120.200 0.076 0.000 2.106 405 E HA -0.125 4.217 4.350 -0.012 0.000 0.192 405 E C 2.070 178.595 176.600 -0.125 0.000 0.984 405 E CA 1.116 57.424 56.400 -0.152 0.000 0.806 405 E CB -0.503 28.957 29.700 -0.400 0.000 0.750 405 E HN 0.474 nan 8.360 nan 0.000 0.458 406 I N 0.560 121.152 120.570 0.037 0.000 2.226 406 I HA -0.257 3.906 4.170 -0.012 0.000 0.245 406 I C 2.215 178.335 176.117 0.005 0.000 1.100 406 I CA 1.252 62.523 61.300 -0.048 0.000 1.374 406 I CB -0.350 37.613 38.000 -0.061 0.000 1.057 406 I HN 0.197 nan 8.210 nan 0.000 0.413 407 N N 0.633 119.385 118.700 0.086 0.000 2.084 407 N HA -0.268 4.464 4.740 -0.012 0.000 0.190 407 N C 1.840 177.441 175.510 0.152 0.000 1.030 407 N CA 1.497 54.651 53.050 0.173 0.000 0.849 407 N CB -0.080 38.526 38.487 0.199 0.000 1.012 407 N HN 0.160 nan 8.380 nan 0.000 0.423 408 Q N 0.735 120.566 119.800 0.052 0.000 2.020 408 Q HA -0.003 4.330 4.340 -0.012 0.000 0.202 408 Q C 1.962 177.952 176.000 -0.017 0.000 0.982 408 Q CA 1.716 57.514 55.803 -0.007 0.000 0.838 408 Q CB -0.179 28.512 28.738 -0.079 0.000 0.899 408 Q HN 0.351 nan 8.270 nan 0.000 0.423 409 R N -1.142 119.325 120.500 -0.055 0.000 2.120 409 R HA -0.112 4.221 4.340 -0.012 0.000 0.234 409 R C 2.071 178.402 176.300 0.052 0.000 1.123 409 R CA 1.228 57.296 56.100 -0.053 0.000 0.975 409 R CB -0.413 29.807 30.300 -0.133 0.000 0.866 409 R HN 0.270 nan 8.270 nan 0.000 0.446 410 F N 1.063 120.996 119.950 -0.027 0.000 2.163 410 F HA -0.034 4.486 4.527 -0.012 0.000 0.297 410 F C 1.719 177.545 175.800 0.044 0.000 1.094 410 F CA 1.208 59.237 58.000 0.048 0.000 1.290 410 F CB -0.074 38.983 39.000 0.096 0.000 1.017 410 F HN -0.124 nan 8.300 nan 0.000 0.483 411 L N -0.094 121.118 121.223 -0.018 0.000 2.217 411 L HA -0.184 4.149 4.340 -0.012 0.000 0.211 411 L C 1.924 178.723 176.870 -0.120 0.000 1.107 411 L CA 1.293 56.066 54.840 -0.111 0.000 0.783 411 L CB -0.843 41.218 42.059 0.004 0.000 0.919 411 L HN 0.224 nan 8.230 nan 0.000 0.442 412 N N -0.133 118.517 118.700 -0.082 0.000 2.244 412 N HA -0.173 4.560 4.740 -0.012 0.000 0.183 412 N C 1.956 177.412 175.510 -0.089 0.000 1.016 412 N CA 0.662 53.669 53.050 -0.072 0.000 0.866 412 N CB 0.034 38.486 38.487 -0.058 0.000 0.980 412 N HN 0.223 nan 8.380 nan 0.000 0.430 413 R N 0.573 120.999 120.500 -0.122 0.000 2.073 413 R HA -0.009 4.324 4.340 -0.012 0.000 0.229 413 R C 2.040 178.240 176.300 -0.166 0.000 1.120 413 R CA 0.683 56.707 56.100 -0.126 0.000 0.967 413 R CB -0.036 30.198 30.300 -0.110 0.000 0.862 413 R HN 0.027 nan 8.270 nan 0.000 0.436 414 V N 0.556 120.315 119.914 -0.258 0.000 2.358 414 V HA -0.208 3.904 4.120 -0.012 0.000 0.246 414 V C 2.325 178.412 176.094 -0.011 0.000 1.047 414 V CA 1.923 64.136 62.300 -0.147 0.000 1.035 414 V CB -0.638 31.027 31.823 -0.264 0.000 0.658 414 V HN 0.460 nan 8.190 nan 0.000 0.452 415 A N 0.085 122.872 122.820 -0.055 0.000 1.933 415 A HA -0.112 4.201 4.320 -0.012 0.000 0.218 415 A C 2.343 179.906 177.584 -0.035 0.000 1.175 415 A CA 2.054 54.077 52.037 -0.024 0.000 0.628 415 A CB -0.690 18.286 19.000 -0.039 0.000 0.814 415 A HN 0.585 nan 8.150 nan 0.000 0.444 416 A N -0.923 121.857 122.820 -0.066 0.000 2.119 416 A HA 0.372 4.685 4.320 -0.012 0.000 0.217 416 A C 2.212 179.715 177.584 -0.135 0.000 1.153 416 A CA 1.570 53.558 52.037 -0.081 0.000 0.692 416 A CB -0.490 18.467 19.000 -0.072 0.000 0.799 416 A HN 0.932 nan 8.150 nan 0.000 0.458 417 A N -1.742 120.961 122.820 -0.195 0.000 2.063 417 A HA 0.478 4.791 4.320 -0.012 0.000 0.211 417 A C 0.347 177.511 177.584 -0.700 0.000 1.177 417 A CA 0.342 52.112 52.037 -0.445 0.000 0.759 417 A CB 0.050 18.732 19.000 -0.530 0.000 0.857 417 A HN 0.372 nan 8.150 nan 0.000 0.468 418 F N 0.272 120.175 119.950 -0.078 0.000 2.584 418 F HA 0.351 4.870 4.527 -0.012 0.000 0.328 418 F C -2.759 173.003 175.800 -0.062 0.000 1.407 418 F CA -2.886 55.073 58.000 -0.070 0.000 1.145 418 F CB 0.678 39.628 39.000 -0.084 0.000 1.440 418 F HN -0.064 nan 8.300 nan 0.000 0.580 419 P HA 0.116 nan 4.420 nan 0.000 0.262 419 P C 1.038 178.358 177.300 0.033 0.000 1.182 419 P CA 1.273 64.383 63.100 0.018 0.000 0.761 419 P CB 0.715 32.408 31.700 -0.012 0.000 0.795 420 G N 2.636 111.447 108.800 0.018 0.000 2.212 420 G HA2 -0.273 3.680 3.960 -0.012 0.000 0.266 420 G HA3 -0.273 3.680 3.960 -0.012 0.000 0.266 420 G C 0.423 175.332 174.900 0.014 0.000 0.978 420 G CA 0.179 45.287 45.100 0.013 0.000 0.632 420 G HN 0.615 nan 8.290 nan 0.000 0.537 421 D N 1.369 121.787 120.400 0.030 0.000 2.551 421 D HA 0.364 4.997 4.640 -0.012 0.000 0.223 421 D C 2.123 178.411 176.300 -0.019 0.000 1.144 421 D CA 0.424 54.427 54.000 0.004 0.000 1.025 421 D CB 0.294 41.096 40.800 0.004 0.000 1.085 421 D HN 0.578 nan 8.370 nan 0.000 0.506 422 V N 0.804 120.708 119.914 -0.016 0.000 2.407 422 V HA -0.184 3.929 4.120 -0.012 0.000 0.248 422 V C 1.837 177.916 176.094 -0.024 0.000 1.055 422 V CA 1.723 64.012 62.300 -0.017 0.000 1.049 422 V CB -0.564 31.253 31.823 -0.011 0.000 0.662 422 V HN 0.242 nan 8.190 nan 0.000 0.455 423 D N 0.144 120.526 120.400 -0.029 0.000 2.219 423 D HA -0.165 4.468 4.640 -0.012 0.000 0.205 423 D C 2.323 178.593 176.300 -0.050 0.000 0.970 423 D CA 1.177 55.159 54.000 -0.029 0.000 0.851 423 D CB -0.219 40.565 40.800 -0.027 0.000 0.943 423 D HN 0.443 nan 8.370 nan 0.000 0.488 424 R N -0.241 120.206 120.500 -0.088 0.000 2.092 424 R HA -0.064 4.269 4.340 -0.012 0.000 0.231 424 R C 2.200 178.426 176.300 -0.122 0.000 1.119 424 R CA 0.801 56.810 56.100 -0.151 0.000 0.970 424 R CB -0.171 29.983 30.300 -0.243 0.000 0.864 424 R HN 0.270 nan 8.270 nan 0.000 0.440 425 L N 0.642 121.820 121.223 -0.076 0.000 2.046 425 L HA -0.186 4.147 4.340 -0.012 0.000 0.208 425 L C 2.737 179.607 176.870 0.001 0.000 1.077 425 L CA 1.747 56.560 54.840 -0.045 0.000 0.747 425 L CB -0.511 41.531 42.059 -0.027 0.000 0.896 425 L HN 0.302 nan 8.230 nan 0.000 0.432 426 R N 0.250 120.755 120.500 0.008 0.000 2.115 426 R HA -0.094 4.239 4.340 -0.012 0.000 0.226 426 R C 2.216 178.562 176.300 0.076 0.000 1.100 426 R CA 0.905 57.032 56.100 0.044 0.000 0.980 426 R CB -0.313 30.008 30.300 0.034 0.000 0.875 426 R HN 0.256 nan 8.270 nan 0.000 0.445 427 R N 0.282 120.808 120.500 0.044 0.000 2.090 427 R HA 0.099 4.432 4.340 -0.012 0.000 0.228 427 R C 2.171 178.539 176.300 0.113 0.000 1.110 427 R CA 1.621 57.771 56.100 0.083 0.000 0.973 427 R CB -0.151 30.161 30.300 0.020 0.000 0.869 427 R HN 0.319 nan 8.270 nan 0.000 0.440 428 M N 0.304 119.892 119.600 -0.021 0.000 2.514 428 M HA 0.040 4.513 4.480 -0.012 0.000 0.258 428 M C 0.961 177.404 176.300 0.238 0.000 1.119 428 M CA 0.089 55.323 55.300 -0.109 0.000 1.111 428 M CB 0.282 32.675 32.600 -0.346 0.000 1.390 428 M HN -0.066 nan 8.290 nan 0.000 0.475 429 S N 0.998 116.849 115.700 0.251 0.000 2.558 429 S HA 0.038 4.501 4.470 -0.012 0.000 0.287 429 S C 1.083 175.931 174.600 0.413 0.000 1.321 429 S CA -0.153 58.228 58.200 0.302 0.000 1.048 429 S CB 0.558 63.880 63.200 0.204 0.000 0.844 429 S HN 0.358 nan 8.310 nan 0.000 0.512 430 L N 3.682 125.102 121.223 0.328 0.000 2.418 430 L HA 0.148 4.481 4.340 -0.012 0.000 0.218 430 L C 0.067 177.045 176.870 0.180 0.000 1.125 430 L CA 0.164 55.160 54.840 0.259 0.000 0.835 430 L CB -0.206 41.944 42.059 0.151 0.000 0.953 430 L HN 0.369 nan 8.230 nan 0.000 0.454 431 V N 0.683 120.717 119.914 0.201 0.000 2.370 431 V HA 0.187 4.299 4.120 -0.012 0.000 0.279 431 V C 0.047 176.229 176.094 0.147 0.000 1.029 431 V CA -0.657 61.748 62.300 0.175 0.000 0.870 431 V CB 1.472 33.436 31.823 0.234 0.000 0.984 431 V HN 0.159 nan 8.190 nan 0.000 0.451 432 E N 3.967 124.232 120.200 0.109 0.000 2.200 432 E HA 0.329 4.671 4.350 -0.012 0.000 0.283 432 E C -0.510 176.141 176.600 0.085 0.000 1.015 432 E CA -0.583 55.871 56.400 0.091 0.000 0.819 432 E CB 1.385 31.118 29.700 0.055 0.000 1.081 432 E HN 0.588 nan 8.360 nan 0.000 0.397 433 E N 1.229 121.477 120.200 0.079 0.000 2.314 433 E HA 0.593 4.936 4.350 -0.012 0.000 0.262 433 E C 0.430 177.066 176.600 0.059 0.000 1.093 433 E CA -0.411 56.030 56.400 0.068 0.000 0.908 433 E CB 1.614 31.348 29.700 0.056 0.000 1.091 433 E HN 0.748 nan 8.360 nan 0.000 0.425 434 G N -0.701 108.132 108.800 0.056 0.000 2.350 434 G HA2 0.189 4.142 3.960 -0.012 0.000 0.282 434 G HA3 0.189 4.142 3.960 -0.012 0.000 0.282 434 G C 0.421 175.353 174.900 0.054 0.000 1.314 434 G CA 0.139 45.269 45.100 0.050 0.000 0.915 434 G HN 0.432 nan 8.290 nan 0.000 0.499 435 A N -1.222 121.628 122.820 0.050 0.000 1.903 435 A HA 0.271 4.583 4.320 -0.012 0.000 0.219 435 A C 1.534 179.159 177.584 0.069 0.000 1.191 435 A CA 3.027 55.095 52.037 0.051 0.000 0.638 435 A CB -0.588 18.440 19.000 0.046 0.000 0.823 435 A HN 2.122 nan 8.150 nan 0.000 0.451 436 V N 0.410 120.374 119.914 0.083 0.000 2.443 436 V HA 0.367 4.480 4.120 -0.012 0.000 0.293 436 V C -0.516 175.645 176.094 0.110 0.000 1.021 436 V CA -1.029 61.342 62.300 0.119 0.000 0.848 436 V CB 1.423 33.335 31.823 0.148 0.000 0.998 436 V HN 0.441 nan 8.190 nan 0.000 0.424 437 K N 5.724 126.198 120.400 0.123 0.000 2.436 437 K HA 0.409 4.722 4.320 -0.012 0.000 0.275 437 K C -0.294 176.367 176.600 0.102 0.000 0.999 437 K CA 0.043 56.399 56.287 0.115 0.000 0.980 437 K CB 0.682 33.266 32.500 0.141 0.000 0.919 437 K HN 0.648 nan 8.250 nan 0.000 0.484 438 R N 1.664 122.215 120.500 0.084 0.000 2.836 438 R HA 0.487 4.820 4.340 -0.012 0.000 0.269 438 R C -0.800 175.533 176.300 0.054 0.000 1.010 438 R CA -1.017 55.119 56.100 0.061 0.000 0.930 438 R CB 1.301 31.619 30.300 0.030 0.000 1.218 438 R HN 0.360 nan 8.270 nan 0.000 0.473 439 I N 1.879 122.474 120.570 0.042 0.000 2.362 439 I HA 0.174 4.337 4.170 -0.012 0.000 0.289 439 I C -0.333 175.761 176.117 -0.039 0.000 0.994 439 I CA -0.741 60.572 61.300 0.021 0.000 1.158 439 I CB 1.328 39.341 38.000 0.021 0.000 1.315 439 I HN 0.515 nan 8.210 nan 0.000 0.451 440 N N 7.213 125.861 118.700 -0.087 0.000 2.439 440 N HA 0.089 4.822 4.740 -0.012 0.000 0.243 440 N C 0.850 176.246 175.510 -0.191 0.000 1.088 440 N CA -0.343 52.571 53.050 -0.227 0.000 0.940 440 N CB 0.949 39.154 38.487 -0.469 0.000 1.180 440 N HN 0.381 nan 8.380 nan 0.000 0.505 441 M N 2.379 121.874 119.600 -0.175 0.000 2.279 441 M HA -0.079 4.394 4.480 -0.012 0.000 0.264 441 M C 1.899 178.049 176.300 -0.251 0.000 1.062 441 M CA 0.716 55.930 55.300 -0.143 0.000 1.099 441 M CB -1.519 31.042 32.600 -0.066 0.000 1.394 441 M HN 0.598 nan 8.290 nan 0.000 0.426 442 A N -0.644 122.018 122.820 -0.265 0.000 1.930 442 A HA -0.153 4.160 4.320 -0.012 0.000 0.217 442 A C 1.968 179.307 177.584 -0.408 0.000 1.175 442 A CA 1.321 53.163 52.037 -0.325 0.000 0.627 442 A CB -1.046 17.954 19.000 -0.000 0.000 0.815 442 A HN 0.596 nan 8.150 nan 0.000 0.443 443 H N -1.082 117.753 119.070 -0.392 0.000 2.389 443 H HA 0.020 4.568 4.556 -0.012 0.000 0.299 443 H C 2.099 177.186 175.328 -0.401 0.000 1.081 443 H CA 0.847 56.612 56.048 -0.471 0.000 1.345 443 H CB -0.009 29.703 29.762 -0.083 0.000 1.393 443 H HN 0.376 nan 8.280 nan 0.000 0.520 444 L N 0.381 121.509 121.223 -0.158 0.000 2.046 444 L HA -0.218 4.115 4.340 -0.012 0.000 0.208 444 L C 2.122 178.856 176.870 -0.226 0.000 1.077 444 L CA 1.254 56.005 54.840 -0.147 0.000 0.747 444 L CB -0.345 41.654 42.059 -0.099 0.000 0.896 444 L HN 0.438 nan 8.230 nan 0.000 0.432 445 C N -0.039 119.027 119.300 -0.390 0.000 2.440 445 C HA -0.143 4.310 4.460 -0.012 0.000 0.278 445 C C 2.659 177.402 174.990 -0.412 0.000 1.295 445 C CA 0.462 59.178 59.018 -0.505 0.000 1.738 445 C CB -0.707 26.362 27.740 -1.118 0.000 1.987 445 C HN 0.512 nan 8.230 nan 0.000 0.492 446 I N 1.384 121.660 120.570 -0.489 0.000 2.202 446 I HA -0.192 3.971 4.170 -0.012 0.000 0.242 446 I C 2.765 178.731 176.117 -0.252 0.000 1.091 446 I CA 1.625 62.677 61.300 -0.414 0.000 1.368 446 I CB -0.560 37.028 38.000 -0.687 0.000 1.058 446 I HN 0.263 nan 8.210 nan 0.000 0.410 447 A N 0.596 123.247 122.820 -0.282 0.000 1.902 447 A HA -0.099 4.214 4.320 -0.012 0.000 0.217 447 A C 2.202 179.824 177.584 0.063 0.000 1.181 447 A CA 1.865 53.796 52.037 -0.177 0.000 0.623 447 A CB -1.157 17.555 19.000 -0.479 0.000 0.818 447 A HN 0.476 nan 8.150 nan 0.000 0.443 448 G N -1.070 107.715 108.800 -0.025 0.000 3.371 448 G HA2 0.414 4.367 3.960 -0.012 0.000 0.248 448 G HA3 0.414 4.367 3.960 -0.012 0.000 0.248 448 G C 0.076 174.817 174.900 -0.265 0.000 1.161 448 G CA 0.470 45.434 45.100 -0.227 0.000 0.796 448 G HN 0.343 nan 8.290 nan 0.000 0.539 449 S N -0.340 115.258 115.700 -0.170 0.000 2.536 449 S HA 0.325 4.787 4.470 -0.012 0.000 0.298 449 S C 0.701 175.247 174.600 -0.090 0.000 1.083 449 S CA -0.718 57.409 58.200 -0.121 0.000 0.995 449 S CB 1.283 64.418 63.200 -0.107 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N -0.079 118.953 119.070 -0.064 0.000 2.548 450 H HA 0.503 5.052 4.556 -0.012 0.000 0.265 450 H C 0.105 175.417 175.328 -0.026 0.000 0.969 450 H CA 0.238 56.274 56.048 -0.020 0.000 1.155 450 H CB 0.135 29.903 29.762 0.010 0.000 1.394 450 H HN 0.510 nan 8.280 nan 0.000 0.570 451 A N 0.952 123.454 122.820 -0.530 0.000 2.488 451 A HA 0.556 4.869 4.320 -0.012 0.000 0.298 451 A C -1.443 175.940 177.584 -0.336 0.000 1.044 451 A CA -0.573 51.211 52.037 -0.422 0.000 0.693 451 A CB 2.188 20.898 19.000 -0.482 0.000 1.272 451 A HN 0.095 nan 8.150 nan 0.000 0.402 452 V N 4.288 123.971 119.914 -0.385 0.000 2.525 452 V HA 0.524 4.637 4.120 -0.012 0.000 0.299 452 V C -0.764 175.143 176.094 -0.312 0.000 1.034 452 V CA -0.775 61.295 62.300 -0.382 0.000 0.863 452 V CB 1.754 33.210 31.823 -0.612 0.000 0.999 452 V HN 1.016 nan 8.190 nan 0.000 0.423 453 N N 3.184 121.723 118.700 -0.268 0.000 2.265 453 N HA 0.627 5.360 4.740 -0.012 0.000 0.300 453 N C -0.224 175.183 175.510 -0.172 0.000 1.148 453 N CA -0.358 52.576 53.050 -0.193 0.000 0.772 453 N CB 2.900 41.253 38.487 -0.224 0.000 1.434 453 N HN 0.622 nan 8.380 nan 0.000 0.481 454 G N -0.813 107.917 108.800 -0.117 0.000 2.535 454 G HA2 0.421 4.373 3.960 -0.012 0.000 0.303 454 G HA3 0.421 4.373 3.960 -0.012 0.000 0.303 454 G C 0.682 175.644 174.900 0.103 0.000 1.237 454 G CA -0.488 44.580 45.100 -0.053 0.000 0.986 454 G HN 0.633 nan 8.290 nan 0.000 0.494 455 V N -3.684 116.430 119.914 0.334 0.000 3.319 455 V HA 0.698 4.811 4.120 -0.012 0.000 0.317 455 V C 0.467 176.646 176.094 0.140 0.000 1.411 455 V CA 0.214 62.608 62.300 0.156 0.000 1.112 455 V CB -0.818 31.051 31.823 0.076 0.000 1.031 455 V HN 1.439 nan 8.190 nan 0.000 0.448 456 A N -0.135 122.776 122.820 0.152 0.000 2.583 456 A HA 0.593 4.906 4.320 -0.012 0.000 0.298 456 A C 0.659 178.291 177.584 0.080 0.000 1.055 456 A CA -0.058 52.044 52.037 0.108 0.000 0.714 456 A CB 1.056 20.110 19.000 0.091 0.000 1.277 456 A HN 0.056 nan 8.150 nan 0.000 0.406 457 R N 1.160 121.685 120.500 0.042 0.000 2.133 457 R HA -0.206 4.127 4.340 -0.012 0.000 0.245 457 R C 1.702 177.998 176.300 -0.006 0.000 1.137 457 R CA 2.482 58.585 56.100 0.005 0.000 0.947 457 R CB -0.277 30.022 30.300 -0.001 0.000 0.865 457 R HN 0.842 nan 8.270 nan 0.000 0.437 458 I N 0.139 120.715 120.570 0.010 0.000 2.361 458 I HA -0.295 3.867 4.170 -0.012 0.000 0.251 458 I C 2.347 178.474 176.117 0.016 0.000 1.133 458 I CA 1.874 63.173 61.300 -0.002 0.000 1.413 458 I CB -0.227 37.771 38.000 -0.003 0.000 1.073 458 I HN 0.373 nan 8.210 nan 0.000 0.424 459 H N 0.234 119.272 119.070 -0.053 0.000 2.326 459 H HA -0.096 4.452 4.556 -0.012 0.000 0.301 459 H C 2.269 177.556 175.328 -0.067 0.000 1.081 459 H CA 2.136 58.146 56.048 -0.062 0.000 1.334 459 H CB -0.293 29.438 29.762 -0.051 0.000 1.385 459 H HN 0.215 nan 8.280 nan 0.000 0.504 460 S N 0.410 115.975 115.700 -0.225 0.000 2.399 460 S HA -0.126 4.337 4.470 -0.012 0.000 0.231 460 S C 1.898 176.367 174.600 -0.219 0.000 1.022 460 S CA 1.196 59.240 58.200 -0.259 0.000 0.983 460 S CB -0.072 63.053 63.200 -0.126 0.000 0.803 460 S HN 0.471 nan 8.310 nan 0.000 0.480 461 E N 1.239 121.338 120.200 -0.169 0.000 2.047 461 E HA 0.002 4.345 4.350 -0.012 0.000 0.191 461 E C 2.029 178.512 176.600 -0.195 0.000 0.987 461 E CA 0.675 56.969 56.400 -0.177 0.000 0.799 461 E CB -0.394 29.235 29.700 -0.118 0.000 0.752 461 E HN 0.497 nan 8.360 nan 0.000 0.449 462 I N 1.070 121.543 120.570 -0.162 0.000 2.335 462 I HA -0.276 3.886 4.170 -0.012 0.000 0.251 462 I C 2.363 178.354 176.117 -0.210 0.000 1.129 462 I CA 0.759 61.969 61.300 -0.150 0.000 1.402 462 I CB -0.224 37.721 38.000 -0.091 0.000 1.069 462 I HN 0.074 nan 8.210 nan 0.000 0.424 463 L N 0.784 121.842 121.223 -0.276 0.000 2.046 463 L HA -0.203 4.130 4.340 -0.012 0.000 0.208 463 L C 2.385 179.121 176.870 -0.222 0.000 1.077 463 L CA 1.536 56.210 54.840 -0.276 0.000 0.747 463 L CB -0.492 41.460 42.059 -0.178 0.000 0.896 463 L HN 0.344 nan 8.230 nan 0.000 0.432 464 K N -0.549 119.646 120.400 -0.341 0.000 2.393 464 K HA 0.006 4.319 4.320 -0.012 0.000 0.193 464 K C 1.617 178.035 176.600 -0.304 0.000 1.026 464 K CA 0.322 56.301 56.287 -0.513 0.000 1.064 464 K CB 0.146 31.956 32.500 -1.151 0.000 0.833 464 K HN 0.210 nan 8.250 nan 0.000 0.521 465 K N 0.895 121.166 120.400 -0.216 0.000 2.242 465 K HA 0.007 4.320 4.320 -0.012 0.000 0.200 465 K C 1.693 178.245 176.600 -0.080 0.000 1.050 465 K CA 1.451 57.663 56.287 -0.125 0.000 0.981 465 K CB 0.495 32.927 32.500 -0.113 0.000 0.795 465 K HN 0.336 nan 8.250 nan 0.000 0.477 466 T N -1.442 113.054 114.554 -0.097 0.000 3.257 466 T HA 0.115 4.458 4.350 -0.012 0.000 0.176 466 T C 1.701 176.368 174.700 -0.055 0.000 0.892 466 T CA -0.363 61.696 62.100 -0.069 0.000 1.147 466 T CB -0.751 68.070 68.868 -0.079 0.000 1.840 466 T HN 0.023 nan 8.240 nan 0.000 0.375 467 I N 0.283 120.769 120.570 -0.141 0.000 2.229 467 I HA -0.104 4.059 4.170 -0.012 0.000 0.250 467 I C 0.960 177.086 176.117 0.015 0.000 1.096 467 I CA 1.808 62.990 61.300 -0.196 0.000 1.358 467 I CB -0.102 37.584 38.000 -0.524 0.000 1.047 467 I HN 0.447 nan 8.210 nan 0.000 0.422 468 F N -0.199 119.821 119.950 0.116 0.000 2.735 468 F HA 0.175 4.695 4.527 -0.012 0.000 0.304 468 F C 1.776 177.661 175.800 0.142 0.000 1.119 468 F CA -0.586 57.555 58.000 0.236 0.000 1.280 468 F CB 0.093 39.233 39.000 0.234 0.000 0.994 468 F HN -0.079 nan 8.300 nan 0.000 0.520 469 K N 1.139 121.657 120.400 0.196 0.000 2.059 469 K HA -0.229 4.084 4.320 -0.012 0.000 0.212 469 K C 1.279 177.936 176.600 0.095 0.000 1.050 469 K CA 2.321 58.666 56.287 0.097 0.000 0.927 469 K CB -0.044 32.478 32.500 0.038 0.000 0.714 469 K HN 0.165 nan 8.250 nan 0.000 0.447 470 D N -0.179 120.248 120.400 0.045 0.000 2.149 470 D HA -0.162 4.471 4.640 -0.012 0.000 0.198 470 D C 1.827 178.040 176.300 -0.145 0.000 0.990 470 D CA 1.219 55.121 54.000 -0.162 0.000 0.839 470 D CB -0.278 40.326 40.800 -0.327 0.000 0.948 470 D HN 0.261 nan 8.370 nan 0.000 0.460 471 F N -0.166 119.857 119.950 0.120 0.000 2.206 471 F HA -0.129 4.391 4.527 -0.012 0.000 0.298 471 F C 2.313 178.268 175.800 0.257 0.000 1.090 471 F CA 0.442 58.587 58.000 0.242 0.000 1.323 471 F CB -0.618 38.578 39.000 0.327 0.000 1.028 471 F HN -0.044 nan 8.300 nan 0.000 0.492 472 Y N 1.341 121.641 120.300 0.001 0.000 2.224 472 Y HA -0.178 4.365 4.550 -0.012 0.000 0.289 472 Y C 2.037 177.939 175.900 0.003 0.000 1.146 472 Y CA 1.557 59.481 58.100 -0.294 0.000 1.182 472 Y CB -0.603 37.489 38.460 -0.614 0.000 0.983 472 Y HN 0.145 nan 8.280 nan 0.000 0.524 473 E N -0.357 119.793 120.200 -0.084 0.000 2.208 473 E HA -0.143 4.199 4.350 -0.012 0.000 0.193 473 E C 2.157 178.818 176.600 0.102 0.000 0.988 473 E CA 0.729 57.087 56.400 -0.069 0.000 0.828 473 E CB -0.120 29.591 29.700 0.019 0.000 0.763 473 E HN 0.414 nan 8.360 nan 0.000 0.478 474 L N 0.729 122.051 121.223 0.166 0.000 2.162 474 L HA 0.006 4.339 4.340 -0.012 0.000 0.205 474 L C 0.050 177.021 176.870 0.169 0.000 1.086 474 L CA 1.518 56.493 54.840 0.225 0.000 0.778 474 L CB 0.222 42.409 42.059 0.214 0.000 0.928 474 L HN 0.013 nan 8.230 nan 0.000 0.446 475 E N 0.397 120.697 120.200 0.167 0.000 3.352 475 E HA 0.161 4.504 4.350 -0.012 0.000 0.254 475 E C -1.924 174.675 176.600 -0.003 0.000 1.229 475 E CA -1.217 55.217 56.400 0.057 0.000 0.949 475 E CB 0.997 30.701 29.700 0.008 0.000 1.373 475 E HN 0.192 nan 8.360 nan 0.000 0.392 476 P HA -0.242 nan 4.420 nan 0.000 0.219 476 P C 1.144 178.580 177.300 0.227 0.000 1.146 476 P CA 1.351 64.411 63.100 -0.067 0.000 0.808 476 P CB -0.010 31.486 31.700 -0.341 0.000 0.779 477 H N 0.245 119.431 119.070 0.193 0.000 2.491 477 H HA 0.080 4.629 4.556 -0.012 0.000 0.290 477 H C 1.444 176.867 175.328 0.159 0.000 1.050 477 H CA 0.747 56.894 56.048 0.164 0.000 1.309 477 H CB -0.676 29.150 29.762 0.107 0.000 1.392 477 H HN 0.160 nan 8.280 nan 0.000 0.554 478 K N 0.294 120.568 120.400 -0.210 0.000 2.217 478 K HA 0.032 4.345 4.320 -0.012 0.000 0.202 478 K C -0.155 176.281 176.600 -0.273 0.000 1.051 478 K CA 0.237 56.381 56.287 -0.239 0.000 0.952 478 K CB 0.064 32.305 32.500 -0.432 0.000 0.736 478 K HN 0.085 nan 8.250 nan 0.000 0.453 479 F N 1.888 121.868 119.950 0.049 0.000 2.438 479 F HA 0.164 4.684 4.527 -0.012 0.000 0.356 479 F C 0.526 176.324 175.800 -0.003 0.000 1.099 479 F CA 0.008 58.033 58.000 0.041 0.000 1.185 479 F CB 0.762 39.827 39.000 0.108 0.000 1.115 479 F HN -0.089 nan 8.300 nan 0.000 0.526 480 Q N 1.552 121.375 119.800 0.039 0.000 2.615 480 Q HA 0.365 4.698 4.340 -0.012 0.000 0.298 480 Q C -1.215 174.739 176.000 -0.076 0.000 1.023 480 Q CA -1.259 54.523 55.803 -0.035 0.000 0.768 480 Q CB 3.175 31.842 28.738 -0.118 0.000 1.500 480 Q HN 0.643 nan 8.270 nan 0.000 0.441 481 N N 0.595 119.232 118.700 -0.105 0.000 2.269 481 N HA 0.309 5.042 4.740 -0.012 0.000 0.304 481 N C -1.513 173.893 175.510 -0.173 0.000 1.072 481 N CA -0.400 52.585 53.050 -0.108 0.000 0.802 481 N CB 1.111 39.558 38.487 -0.067 0.000 1.348 481 N HN 0.284 nan 8.380 nan 0.000 0.484 482 K N 2.654 122.956 120.400 -0.163 0.000 2.803 482 K HA 0.164 4.477 4.320 -0.012 0.000 0.229 482 K C -1.059 175.540 176.600 -0.000 0.000 1.084 482 K CA -0.462 55.695 56.287 -0.217 0.000 1.063 482 K CB 1.096 33.224 32.500 -0.619 0.000 1.254 482 K HN 0.551 nan 8.250 nan 0.000 0.551 483 T N 2.043 116.618 114.554 0.036 0.000 2.871 483 T HA 0.041 4.384 4.350 -0.012 0.000 0.296 483 T C 0.822 175.648 174.700 0.209 0.000 0.998 483 T CA 0.461 62.636 62.100 0.124 0.000 1.162 483 T CB 0.216 69.161 68.868 0.129 0.000 0.947 483 T HN 0.341 nan 8.240 nan 0.000 0.536 484 N N 0.733 119.577 118.700 0.239 0.000 2.267 484 N HA 0.382 5.115 4.740 -0.012 0.000 0.226 484 N C 0.473 176.165 175.510 0.304 0.000 1.314 484 N CA -0.104 53.120 53.050 0.289 0.000 0.887 484 N CB 0.362 38.960 38.487 0.186 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.677 108.310 108.800 0.313 0.000 2.649 485 G HA2 0.563 4.515 3.960 -0.012 0.000 0.290 485 G HA3 0.563 4.515 3.960 -0.012 0.000 0.290 485 G C -1.394 173.642 174.900 0.227 0.000 1.426 485 G CA -0.746 44.526 45.100 0.286 0.000 0.794 485 G HN 0.594 nan 8.290 nan 0.000 0.483 486 I N -2.199 118.489 120.570 0.196 0.000 2.892 486 I HA 0.767 4.930 4.170 -0.012 0.000 0.306 486 I C -0.196 176.086 176.117 0.274 0.000 1.078 486 I CA -0.945 60.467 61.300 0.185 0.000 1.032 486 I CB 2.456 40.450 38.000 -0.010 0.000 1.229 486 I HN 0.485 nan 8.210 nan 0.000 0.435 487 T N 4.362 119.138 114.554 0.369 0.000 2.794 487 T HA 0.332 4.675 4.350 -0.012 0.000 0.296 487 T C -1.307 173.516 174.700 0.206 0.000 0.949 487 T CA -1.622 60.616 62.100 0.230 0.000 1.101 487 T CB 0.743 69.691 68.868 0.133 0.000 0.905 487 T HN 0.634 nan 8.240 nan 0.000 0.516 488 P HA 0.007 nan 4.420 nan 0.000 0.230 488 P C 1.094 178.370 177.300 -0.039 0.000 1.158 488 P CA 0.391 63.533 63.100 0.071 0.000 0.769 488 P CB 0.395 32.123 31.700 0.046 0.000 0.807 489 R N 0.489 120.919 120.500 -0.117 0.000 2.056 489 R HA 0.003 4.336 4.340 -0.012 0.000 0.227 489 R C 2.740 178.923 176.300 -0.195 0.000 1.149 489 R CA 1.574 57.561 56.100 -0.188 0.000 0.937 489 R CB -1.211 28.982 30.300 -0.178 0.000 0.835 489 R HN 0.050 nan 8.270 nan 0.000 0.430 490 R N -0.779 119.546 120.500 -0.292 0.000 2.075 490 R HA -0.112 4.221 4.340 -0.012 0.000 0.232 490 R C 1.054 176.974 176.300 -0.635 0.000 1.126 490 R CA 1.559 57.330 56.100 -0.548 0.000 0.963 490 R CB -0.178 29.625 30.300 -0.828 0.000 0.858 490 R HN 0.289 nan 8.270 nan 0.000 0.435 491 W N 0.009 121.268 121.300 -0.068 0.000 3.405 491 W HA 0.143 4.796 4.660 -0.013 0.000 0.300 491 W C 0.922 177.411 176.519 -0.049 0.000 1.286 491 W CA -0.637 56.666 57.345 -0.070 0.000 1.762 491 W CB 0.352 29.774 29.460 -0.064 0.000 1.087 491 W HN 0.235 nan 8.180 nan 0.000 0.703 492 L N -2.399 118.869 121.223 0.075 0.000 2.604 492 L HA 0.165 4.498 4.340 -0.012 0.000 0.150 492 L C 1.790 178.675 176.870 0.026 0.000 1.292 492 L CA 0.685 55.572 54.840 0.078 0.000 0.977 492 L CB -0.861 41.272 42.059 0.122 0.000 1.943 492 L HN -0.265 nan 8.230 nan 0.000 0.508 493 V N 1.246 121.158 119.914 -0.004 0.000 2.287 493 V HA -0.294 3.818 4.120 -0.012 0.000 0.248 493 V C 2.445 178.511 176.094 -0.046 0.000 1.053 493 V CA 2.584 64.871 62.300 -0.022 0.000 1.027 493 V CB -0.728 31.055 31.823 -0.067 0.000 0.646 493 V HN 0.516 nan 8.190 nan 0.000 0.447 494 L N 0.357 121.522 121.223 -0.097 0.000 2.044 494 L HA -0.177 4.156 4.340 -0.012 0.000 0.205 494 L C 2.456 179.258 176.870 -0.113 0.000 1.075 494 L CA 2.292 57.058 54.840 -0.123 0.000 0.747 494 L CB -0.215 41.723 42.059 -0.202 0.000 0.903 494 L HN 0.679 nan 8.230 nan 0.000 0.435 495 C N -1.996 117.232 119.300 -0.121 0.000 2.563 495 C HA 0.212 4.665 4.460 -0.012 0.000 0.268 495 C C 1.140 176.112 174.990 -0.031 0.000 1.365 495 C CA -0.369 58.597 59.018 -0.087 0.000 1.754 495 C CB -0.932 26.754 27.740 -0.090 0.000 1.932 495 C HN 0.558 nan 8.230 nan 0.000 0.536 496 N N 1.118 119.811 118.700 -0.011 0.000 2.752 496 N HA 0.330 5.063 4.740 -0.012 0.000 0.260 496 N C -2.233 173.288 175.510 0.019 0.000 1.562 496 N CA -1.536 51.520 53.050 0.010 0.000 0.788 496 N CB 0.853 39.356 38.487 0.026 0.000 1.192 496 N HN 0.111 nan 8.380 nan 0.000 0.503 497 P HA -0.026 nan 4.420 nan 0.000 0.215 497 P C 1.393 178.710 177.300 0.027 0.000 1.153 497 P CA 1.068 64.179 63.100 0.018 0.000 0.853 497 P CB 0.226 31.929 31.700 0.006 0.000 0.788 498 G N -0.087 108.725 108.800 0.020 0.000 2.440 498 G HA2 -0.261 3.692 3.960 -0.012 0.000 0.218 498 G HA3 -0.261 3.692 3.960 -0.012 0.000 0.218 498 G C 1.464 176.376 174.900 0.022 0.000 1.154 498 G CA 0.685 45.796 45.100 0.018 0.000 0.767 498 G HN 0.228 nan 8.290 nan 0.000 0.552 499 L N 1.053 122.290 121.223 0.024 0.000 2.095 499 L HA 0.335 4.668 4.340 -0.012 0.000 0.204 499 L C 3.064 179.966 176.870 0.053 0.000 1.080 499 L CA 1.904 56.758 54.840 0.022 0.000 0.759 499 L CB -0.678 41.392 42.059 0.018 0.000 0.914 499 L HN 0.215 nan 8.230 nan 0.000 0.439 500 A N -0.741 122.130 122.820 0.086 0.000 1.940 500 A HA -0.246 4.067 4.320 -0.012 0.000 0.219 500 A C 2.217 179.898 177.584 0.163 0.000 1.176 500 A CA 1.772 53.912 52.037 0.173 0.000 0.631 500 A CB -0.657 18.445 19.000 0.169 0.000 0.814 500 A HN 0.526 nan 8.150 nan 0.000 0.446 501 E N 0.775 121.033 120.200 0.096 0.000 2.031 501 E HA -0.184 4.158 4.350 -0.012 0.000 0.193 501 E C 1.849 178.491 176.600 0.070 0.000 0.994 501 E CA 1.760 58.206 56.400 0.077 0.000 0.800 501 E CB -0.531 29.196 29.700 0.046 0.000 0.752 501 E HN 0.743 nan 8.360 nan 0.000 0.447 502 I N -1.816 118.792 120.570 0.064 0.000 2.614 502 I HA -0.108 4.055 4.170 -0.012 0.000 0.258 502 I C 2.076 178.257 176.117 0.107 0.000 1.189 502 I CA 1.027 62.379 61.300 0.087 0.000 1.462 502 I CB -0.287 37.768 38.000 0.092 0.000 1.092 502 I HN 0.034 nan 8.210 nan 0.000 0.442 503 I N 1.760 122.367 120.570 0.062 0.000 2.333 503 I HA -0.117 4.046 4.170 -0.012 0.000 0.246 503 I C 2.982 179.049 176.117 -0.085 0.000 1.106 503 I CA 1.119 62.379 61.300 -0.066 0.000 1.411 503 I CB -0.375 37.466 38.000 -0.265 0.000 1.082 503 I HN 0.283 nan 8.210 nan 0.000 0.420 504 A N 0.697 123.566 122.820 0.081 0.000 1.933 504 A HA -0.212 4.101 4.320 -0.012 0.000 0.218 504 A C 2.134 179.748 177.584 0.049 0.000 1.175 504 A CA 1.526 53.662 52.037 0.164 0.000 0.628 504 A CB -0.572 18.550 19.000 0.203 0.000 0.814 504 A HN 0.447 nan 8.150 nan 0.000 0.444 505 E N -0.451 119.757 120.200 0.013 0.000 2.118 505 E HA -0.228 4.115 4.350 -0.012 0.000 0.195 505 E C 2.216 178.776 176.600 -0.067 0.000 0.992 505 E CA 1.428 57.819 56.400 -0.015 0.000 0.804 505 E CB -0.166 29.527 29.700 -0.010 0.000 0.741 505 E HN 0.612 nan 8.360 nan 0.000 0.458 506 R N 0.207 120.608 120.500 -0.165 0.000 2.128 506 R HA 0.130 4.463 4.340 -0.012 0.000 0.211 506 R C 2.270 178.474 176.300 -0.159 0.000 1.067 506 R CA 0.865 56.798 56.100 -0.279 0.000 1.010 506 R CB 0.115 29.948 30.300 -0.780 0.000 0.922 506 R HN 0.261 nan 8.270 nan 0.000 0.457 507 I N -3.350 117.150 120.570 -0.117 0.000 4.147 507 I HA 0.465 4.628 4.170 -0.012 0.000 0.329 507 I C 0.363 176.521 176.117 0.068 0.000 1.424 507 I CA -0.160 61.129 61.300 -0.018 0.000 1.127 507 I CB 0.924 38.899 38.000 -0.042 0.000 1.128 507 I HN 0.165 nan 8.210 nan 0.000 0.417 508 G N 2.201 111.050 108.800 0.082 0.000 2.698 508 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.225 508 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.225 508 G C -0.098 174.924 174.900 0.204 0.000 1.345 508 G CA 0.147 45.315 45.100 0.113 0.000 0.871 508 G HN 0.455 nan 8.290 nan 0.000 0.540 509 E N -0.155 120.107 120.200 0.103 0.000 2.498 509 E HA 0.133 4.476 4.350 -0.012 0.000 0.203 509 E C 1.851 178.371 176.600 -0.133 0.000 1.013 509 E CA 0.261 56.648 56.400 -0.022 0.000 0.927 509 E CB 0.445 30.135 29.700 -0.017 0.000 1.012 509 E HN 0.632 nan 8.360 nan 0.000 0.482 510 E N 0.419 120.622 120.200 0.006 0.000 2.204 510 E HA -0.205 4.138 4.350 -0.012 0.000 0.195 510 E C 1.639 178.222 176.600 -0.028 0.000 0.990 510 E CA 1.075 57.476 56.400 0.002 0.000 0.821 510 E CB -0.154 29.577 29.700 0.051 0.000 0.750 510 E HN 0.485 nan 8.360 nan 0.000 0.477 511 Y N -0.467 119.835 120.300 0.004 0.000 2.333 511 Y HA -0.115 4.429 4.550 -0.011 0.000 0.290 511 Y C 1.835 177.710 175.900 -0.041 0.000 1.144 511 Y CA 0.651 58.745 58.100 -0.010 0.000 1.228 511 Y CB -0.640 37.817 38.460 -0.004 0.000 0.985 511 Y HN -0.069 nan 8.280 nan 0.000 0.542 512 I N 1.073 121.129 120.570 -0.857 0.000 2.315 512 I HA -0.282 3.881 4.170 -0.012 0.000 0.251 512 I C 1.782 177.642 176.117 -0.428 0.000 1.125 512 I CA 2.004 62.889 61.300 -0.691 0.000 1.392 512 I CB -0.467 37.039 38.000 -0.822 0.000 1.065 512 I HN 0.516 nan 8.210 nan 0.000 0.424 513 S N -1.986 113.561 115.700 -0.255 0.000 2.663 513 S HA 0.177 4.639 4.470 -0.012 0.000 0.243 513 S C 0.110 174.691 174.600 -0.031 0.000 1.009 513 S CA -0.492 57.638 58.200 -0.117 0.000 0.988 513 S CB 0.337 63.550 63.200 0.023 0.000 0.896 513 S HN 0.327 nan 8.310 nan 0.000 0.502 514 D N 0.738 121.128 120.400 -0.017 0.000 3.036 514 D HA 0.198 4.831 4.640 -0.012 0.000 0.244 514 D C 0.640 176.981 176.300 0.069 0.000 1.337 514 D CA -0.327 53.689 54.000 0.026 0.000 0.829 514 D CB -0.157 40.662 40.800 0.032 0.000 1.478 514 D HN 0.153 nan 8.370 nan 0.000 0.570 515 L N 0.608 121.874 121.223 0.072 0.000 2.189 515 L HA -0.149 4.184 4.340 -0.012 0.000 0.214 515 L C 1.298 178.217 176.870 0.080 0.000 1.097 515 L CA 1.097 56.005 54.840 0.113 0.000 0.764 515 L CB 0.012 42.129 42.059 0.096 0.000 0.900 515 L HN 0.336 nan 8.230 nan 0.000 0.436 516 D N -0.236 120.188 120.400 0.041 0.000 2.228 516 D HA -0.229 4.404 4.640 -0.012 0.000 0.203 516 D C 2.112 178.433 176.300 0.034 0.000 0.988 516 D CA 1.029 55.040 54.000 0.018 0.000 0.864 516 D CB -0.051 40.748 40.800 -0.001 0.000 0.928 516 D HN 0.498 nan 8.370 nan 0.000 0.469 517 Q N -0.038 119.800 119.800 0.063 0.000 2.297 517 Q HA -0.081 4.252 4.340 -0.012 0.000 0.208 517 Q C 2.347 178.369 176.000 0.037 0.000 0.981 517 Q CA 0.346 56.189 55.803 0.065 0.000 0.876 517 Q CB -0.052 28.753 28.738 0.112 0.000 0.921 517 Q HN 0.397 nan 8.270 nan 0.000 0.446 518 L N 0.164 121.401 121.223 0.023 0.000 2.349 518 L HA -0.195 4.138 4.340 -0.012 0.000 0.220 518 L C 2.419 179.287 176.870 -0.002 0.000 1.130 518 L CA 0.833 55.649 54.840 -0.039 0.000 0.791 518 L CB -0.397 41.644 42.059 -0.029 0.000 0.918 518 L HN 0.199 nan 8.230 nan 0.000 0.444 519 R N 0.803 121.312 120.500 0.015 0.000 2.193 519 R HA -0.156 4.176 4.340 -0.012 0.000 0.229 519 R C 2.013 178.327 176.300 0.023 0.000 1.110 519 R CA 1.039 57.151 56.100 0.019 0.000 0.988 519 R CB 0.056 30.363 30.300 0.011 0.000 0.871 519 R HN 0.324 nan 8.270 nan 0.000 0.458 520 K N 0.117 120.530 120.400 0.023 0.000 2.365 520 K HA -0.067 4.246 4.320 -0.012 0.000 0.199 520 K C 1.633 178.285 176.600 0.086 0.000 1.045 520 K CA 0.629 56.940 56.287 0.039 0.000 0.962 520 K CB 0.083 32.609 32.500 0.043 0.000 0.759 520 K HN 0.273 nan 8.250 nan 0.000 0.469 521 L N 0.596 121.859 121.223 0.066 0.000 2.465 521 L HA -0.115 4.217 4.340 -0.012 0.000 0.224 521 L C 1.746 178.717 176.870 0.169 0.000 1.145 521 L CA 0.065 54.970 54.840 0.109 0.000 0.834 521 L CB -0.177 41.914 42.059 0.053 0.000 0.944 521 L HN 0.121 nan 8.230 nan 0.000 0.451 522 L N -0.576 120.702 121.223 0.092 0.000 2.353 522 L HA -0.145 4.187 4.340 -0.012 0.000 0.220 522 L C 2.425 179.303 176.870 0.014 0.000 1.133 522 L CA 1.396 56.273 54.840 0.062 0.000 0.798 522 L CB -0.698 41.379 42.059 0.028 0.000 0.922 522 L HN 0.127 nan 8.230 nan 0.000 0.445 523 S N -1.863 113.806 115.700 -0.052 0.000 2.489 523 S HA -0.044 4.418 4.470 -0.012 0.000 0.228 523 S C 1.039 175.390 174.600 -0.415 0.000 0.995 523 S CA 0.438 58.479 58.200 -0.265 0.000 0.934 523 S CB -0.195 62.745 63.200 -0.435 0.000 0.771 523 S HN 0.470 nan 8.310 nan 0.000 0.522 524 Y N -0.472 119.779 120.300 -0.082 0.000 2.507 524 Y HA 0.352 4.900 4.550 -0.003 0.000 0.254 524 Y C 1.745 177.716 175.900 0.117 0.000 1.171 524 Y CA -0.586 57.480 58.100 -0.058 0.000 1.238 524 Y CB -0.255 37.989 38.460 -0.361 0.000 1.148 524 Y HN 0.079 nan 8.280 nan 0.000 0.525 525 V N 0.505 120.533 119.914 0.191 0.000 2.688 525 V HA -0.239 3.874 4.120 -0.012 0.000 0.256 525 V C 1.003 177.173 176.094 0.127 0.000 1.084 525 V CA 2.342 64.743 62.300 0.168 0.000 1.103 525 V CB -0.021 31.858 31.823 0.093 0.000 0.688 525 V HN 0.380 nan 8.190 nan 0.000 0.480 526 D N -1.042 119.413 120.400 0.092 0.000 2.433 526 D HA 0.108 4.741 4.640 -0.012 0.000 0.211 526 D C 0.476 176.827 176.300 0.086 0.000 1.114 526 D CA -0.036 54.004 54.000 0.067 0.000 0.837 526 D CB 0.077 40.892 40.800 0.025 0.000 0.984 526 D HN 0.449 nan 8.370 nan 0.000 0.505 527 D N 1.667 122.153 120.400 0.144 0.000 2.342 527 D HA -0.046 4.587 4.640 -0.012 0.000 0.260 527 D C 1.195 177.604 176.300 0.182 0.000 1.278 527 D CA 0.094 54.199 54.000 0.175 0.000 0.910 527 D CB 1.426 42.405 40.800 0.298 0.000 1.079 527 D HN -0.167 nan 8.370 nan 0.000 0.496 528 E N 3.334 123.604 120.200 0.116 0.000 2.160 528 E HA -0.182 4.161 4.350 -0.012 0.000 0.195 528 E C 1.711 178.371 176.600 0.100 0.000 0.991 528 E CA 1.494 57.948 56.400 0.090 0.000 0.810 528 E CB -0.012 29.723 29.700 0.059 0.000 0.742 528 E HN 0.599 nan 8.360 nan 0.000 0.466 529 A N -0.304 122.593 122.820 0.127 0.000 1.855 529 A HA -0.127 4.186 4.320 -0.012 0.000 0.215 529 A C 2.255 179.943 177.584 0.173 0.000 1.191 529 A CA 1.287 53.399 52.037 0.125 0.000 0.613 529 A CB -1.027 18.047 19.000 0.122 0.000 0.829 529 A HN 0.441 nan 8.150 nan 0.000 0.442 530 F N 0.557 120.531 119.950 0.040 0.000 2.069 530 F HA -0.217 4.304 4.527 -0.010 0.000 0.298 530 F C 2.129 177.940 175.800 0.018 0.000 1.113 530 F CA 1.719 59.728 58.000 0.014 0.000 1.214 530 F CB -0.137 38.889 39.000 0.043 0.000 0.978 530 F HN 0.170 nan 8.300 nan 0.000 0.474 531 I N 0.217 120.826 120.570 0.065 0.000 2.185 531 I HA -0.392 3.771 4.170 -0.012 0.000 0.246 531 I C 2.552 178.621 176.117 -0.080 0.000 1.088 531 I CA 1.817 63.090 61.300 -0.045 0.000 1.347 531 I CB -0.558 37.464 38.000 0.036 0.000 1.041 531 I HN 0.151 nan 8.210 nan 0.000 0.415 532 R N 0.821 121.305 120.500 -0.028 0.000 2.092 532 R HA -0.173 4.159 4.340 -0.012 0.000 0.231 532 R C 1.843 178.108 176.300 -0.060 0.000 1.119 532 R CA 1.698 57.779 56.100 -0.031 0.000 0.970 532 R CB -0.080 30.221 30.300 0.001 0.000 0.864 532 R HN 0.316 nan 8.270 nan 0.000 0.440 533 D N -0.368 119.984 120.400 -0.081 0.000 2.123 533 D HA -0.103 4.530 4.640 -0.012 0.000 0.200 533 D C 1.942 178.139 176.300 -0.172 0.000 0.976 533 D CA 1.183 55.126 54.000 -0.095 0.000 0.831 533 D CB -0.128 40.646 40.800 -0.043 0.000 0.974 533 D HN 0.077 nan 8.370 nan 0.000 0.469 534 V N 1.714 121.428 119.914 -0.332 0.000 2.287 534 V HA -0.252 3.861 4.120 -0.012 0.000 0.248 534 V C 2.548 178.554 176.094 -0.147 0.000 1.053 534 V CA 1.947 64.054 62.300 -0.322 0.000 1.027 534 V CB -0.810 30.735 31.823 -0.465 0.000 0.646 534 V HN 0.179 nan 8.190 nan 0.000 0.447 535 A N -0.515 122.238 122.820 -0.112 0.000 1.969 535 A HA -0.220 4.093 4.320 -0.012 0.000 0.218 535 A C 2.351 179.903 177.584 -0.052 0.000 1.169 535 A CA 1.957 53.961 52.037 -0.055 0.000 0.635 535 A CB -0.414 18.558 19.000 -0.047 0.000 0.810 535 A HN 0.549 nan 8.150 nan 0.000 0.445 536 K N -0.247 120.119 120.400 -0.057 0.000 2.062 536 K HA -0.046 4.267 4.320 -0.012 0.000 0.205 536 K C 1.780 178.360 176.600 -0.033 0.000 1.051 536 K CA 1.400 57.663 56.287 -0.041 0.000 0.941 536 K CB -0.222 32.257 32.500 -0.034 0.000 0.719 536 K HN 0.192 nan 8.250 nan 0.000 0.440 537 V N 1.915 121.805 119.914 -0.040 0.000 2.343 537 V HA -0.246 3.867 4.120 -0.012 0.000 0.247 537 V C 2.399 178.484 176.094 -0.014 0.000 1.051 537 V CA 2.037 64.322 62.300 -0.024 0.000 1.036 537 V CB -0.452 31.352 31.823 -0.032 0.000 0.654 537 V HN 0.369 nan 8.190 nan 0.000 0.451 538 K N 0.507 120.896 120.400 -0.018 0.000 2.026 538 K HA -0.238 4.075 4.320 -0.012 0.000 0.208 538 K C 2.155 178.738 176.600 -0.028 0.000 1.048 538 K CA 1.914 58.198 56.287 -0.005 0.000 0.929 538 K CB -0.525 31.985 32.500 0.016 0.000 0.713 538 K HN 0.390 nan 8.250 nan 0.000 0.439 539 Q N 1.034 120.810 119.800 -0.041 0.000 2.124 539 Q HA -0.113 4.220 4.340 -0.012 0.000 0.202 539 Q C 1.650 177.636 176.000 -0.022 0.000 0.977 539 Q CA 1.966 57.736 55.803 -0.055 0.000 0.850 539 Q CB -0.107 28.601 28.738 -0.052 0.000 0.901 539 Q HN 0.538 nan 8.270 nan 0.000 0.429 540 E N -0.509 119.688 120.200 -0.004 0.000 2.106 540 E HA -0.146 4.197 4.350 -0.012 0.000 0.192 540 E C 1.750 178.377 176.600 0.046 0.000 0.984 540 E CA 0.922 57.334 56.400 0.019 0.000 0.806 540 E CB -0.054 29.655 29.700 0.015 0.000 0.750 540 E HN 0.409 nan 8.360 nan 0.000 0.458 541 N N 1.026 119.752 118.700 0.043 0.000 2.120 541 N HA -0.135 4.598 4.740 -0.012 0.000 0.188 541 N C 1.507 177.105 175.510 0.147 0.000 1.024 541 N CA 1.066 54.163 53.050 0.079 0.000 0.852 541 N CB -0.072 38.447 38.487 0.053 0.000 1.003 541 N HN 0.138 nan 8.380 nan 0.000 0.424 542 K N 0.595 121.047 120.400 0.088 0.000 2.057 542 K HA 0.017 4.330 4.320 -0.012 0.000 0.206 542 K C 2.126 178.866 176.600 0.234 0.000 1.050 542 K CA 0.623 56.988 56.287 0.130 0.000 0.935 542 K CB -0.149 32.170 32.500 -0.302 0.000 0.715 542 K HN 0.109 nan 8.250 nan 0.000 0.439 543 L N 1.202 122.500 121.223 0.124 0.000 2.046 543 L HA -0.201 4.132 4.340 -0.012 0.000 0.208 543 L C 2.625 179.590 176.870 0.159 0.000 1.077 543 L CA 1.328 56.243 54.840 0.125 0.000 0.747 543 L CB -0.312 41.788 42.059 0.069 0.000 0.896 543 L HN 0.172 nan 8.230 nan 0.000 0.432 544 K N -0.411 120.088 120.400 0.165 0.000 2.097 544 K HA -0.224 4.089 4.320 -0.012 0.000 0.206 544 K C 2.139 178.891 176.600 0.253 0.000 1.049 544 K CA 1.404 57.794 56.287 0.172 0.000 0.933 544 K CB -0.083 32.503 32.500 0.143 0.000 0.717 544 K HN 0.095 nan 8.250 nan 0.000 0.442 545 F N 0.980 121.033 119.950 0.172 0.000 2.234 545 F HA 0.071 4.591 4.527 -0.012 0.000 0.296 545 F C 1.951 177.908 175.800 0.261 0.000 1.089 545 F CA 0.987 59.115 58.000 0.215 0.000 1.343 545 F CB -0.384 38.751 39.000 0.224 0.000 1.040 545 F HN 0.048 nan 8.300 nan 0.000 0.498 546 A N 0.180 123.154 122.820 0.256 0.000 1.972 546 A HA -0.037 4.276 4.320 -0.012 0.000 0.219 546 A C 2.362 179.964 177.584 0.031 0.000 1.169 546 A CA 1.687 53.810 52.037 0.143 0.000 0.635 546 A CB -1.370 17.784 19.000 0.256 0.000 0.810 546 A HN 0.451 nan 8.150 nan 0.000 0.446 547 A N -1.340 121.518 122.820 0.063 0.000 1.854 547 A HA -0.012 4.301 4.320 -0.012 0.000 0.214 547 A C 2.120 179.701 177.584 -0.005 0.000 1.192 547 A CA 1.428 53.483 52.037 0.029 0.000 0.611 547 A CB -0.903 18.133 19.000 0.060 0.000 0.832 547 A HN 0.737 nan 8.150 nan 0.000 0.442 548 Y N 0.056 120.291 120.300 -0.108 0.000 2.165 548 Y HA -0.210 4.333 4.550 -0.012 0.000 0.286 548 Y C 1.916 177.698 175.900 -0.196 0.000 1.155 548 Y CA 1.869 59.886 58.100 -0.139 0.000 1.164 548 Y CB -0.328 38.068 38.460 -0.106 0.000 0.978 548 Y HN 0.202 nan 8.280 nan 0.000 0.513 549 L N 0.884 121.980 121.223 -0.212 0.000 2.083 549 L HA -0.196 4.137 4.340 -0.012 0.000 0.209 549 L C 2.501 179.291 176.870 -0.135 0.000 1.083 549 L CA 2.306 57.028 54.840 -0.197 0.000 0.752 549 L CB -0.865 41.028 42.059 -0.277 0.000 0.899 549 L HN 0.453 nan 8.230 nan 0.000 0.433 550 E N -1.274 118.843 120.200 -0.139 0.000 2.112 550 E HA -0.161 4.182 4.350 -0.012 0.000 0.190 550 E C 2.288 178.795 176.600 -0.156 0.000 0.979 550 E CA 0.470 56.798 56.400 -0.118 0.000 0.814 550 E CB 0.115 29.749 29.700 -0.111 0.000 0.762 550 E HN 0.399 nan 8.360 nan 0.000 0.460 551 R N 0.348 120.722 120.500 -0.210 0.000 2.075 551 R HA -0.115 4.218 4.340 -0.012 0.000 0.230 551 R C 2.111 178.217 176.300 -0.324 0.000 1.140 551 R CA 1.674 57.636 56.100 -0.229 0.000 0.928 551 R CB -0.194 29.976 30.300 -0.216 0.000 0.834 551 R HN 0.015 nan 8.270 nan 0.000 0.429 552 E N -1.029 118.823 120.200 -0.580 0.000 2.435 552 E HA -0.060 4.282 4.350 -0.012 0.000 0.195 552 E C 0.167 176.244 176.600 -0.872 0.000 1.029 552 E CA 0.785 56.711 56.400 -0.790 0.000 0.865 552 E CB 0.384 29.370 29.700 -1.189 0.000 0.833 552 E HN 0.378 nan 8.360 nan 0.000 0.510 553 Y N -0.594 119.573 120.300 -0.222 0.000 2.666 553 Y HA 0.226 4.769 4.550 -0.012 0.000 0.260 553 Y C -0.170 175.679 175.900 -0.084 0.000 1.089 553 Y CA -0.787 57.239 58.100 -0.124 0.000 1.246 553 Y CB 0.619 39.012 38.460 -0.111 0.000 1.353 553 Y HN -0.260 nan 8.280 nan 0.000 0.558 554 K N 0.803 121.204 120.400 0.002 0.000 3.356 554 K HA -0.157 4.156 4.320 -0.012 0.000 0.270 554 K C 0.178 176.797 176.600 0.033 0.000 0.901 554 K CA 0.904 57.188 56.287 -0.005 0.000 0.688 554 K CB -2.223 30.278 32.500 0.000 0.000 1.460 554 K HN 0.359 nan 8.250 nan 0.000 0.458 555 V N -2.631 117.304 119.914 0.034 0.000 3.553 555 V HA 0.581 4.694 4.120 -0.012 0.000 0.287 555 V C 0.594 176.735 176.094 0.078 0.000 1.111 555 V CA -0.562 61.771 62.300 0.055 0.000 0.950 555 V CB 1.777 33.620 31.823 0.033 0.000 1.243 555 V HN 0.461 nan 8.190 nan 0.000 0.443 556 H N 1.116 120.171 119.070 -0.024 0.000 2.734 556 H HA 0.454 5.003 4.556 -0.012 0.000 0.247 556 H C -0.948 174.373 175.328 -0.011 0.000 1.415 556 H CA -0.622 55.414 56.048 -0.019 0.000 1.514 556 H CB 0.542 30.287 29.762 -0.028 0.000 1.841 556 H HN 0.884 nan 8.280 nan 0.000 0.609 557 I N -0.335 120.338 120.570 0.172 0.000 2.676 557 I HA 0.488 4.651 4.170 -0.012 0.000 0.309 557 I C 0.087 176.324 176.117 0.201 0.000 0.990 557 I CA -1.105 60.281 61.300 0.143 0.000 1.168 557 I CB 1.693 39.737 38.000 0.073 0.000 1.343 557 I HN 0.211 nan 8.210 nan 0.000 0.482 558 N N 4.264 123.079 118.700 0.192 0.000 2.462 558 N HA 0.391 5.123 4.740 -0.012 0.000 0.242 558 N C -2.058 173.599 175.510 0.245 0.000 1.010 558 N CA -2.412 50.747 53.050 0.181 0.000 0.939 558 N CB 1.170 39.727 38.487 0.116 0.000 1.127 558 N HN 0.334 nan 8.380 nan 0.000 0.509 559 P HA -0.079 nan 4.420 nan 0.000 0.222 559 P C 0.259 177.547 177.300 -0.020 0.000 1.142 559 P CA 0.941 64.111 63.100 0.117 0.000 0.788 559 P CB 0.287 32.040 31.700 0.089 0.000 0.767 560 N N -1.323 117.399 118.700 0.037 0.000 2.392 560 N HA 0.002 4.735 4.740 -0.012 0.000 0.177 560 N C 0.749 176.292 175.510 0.054 0.000 1.066 560 N CA 0.381 53.442 53.050 0.019 0.000 0.895 560 N CB -0.157 38.352 38.487 0.036 0.000 0.988 560 N HN 0.234 nan 8.380 nan 0.000 0.457 561 S N 0.506 116.252 115.700 0.075 0.000 2.608 561 S HA 0.225 4.688 4.470 -0.012 0.000 0.261 561 S C 0.328 174.903 174.600 -0.042 0.000 1.314 561 S CA -0.740 57.494 58.200 0.057 0.000 0.992 561 S CB 1.054 64.310 63.200 0.094 0.000 0.935 561 S HN 0.216 nan 8.310 nan 0.000 0.564 562 L N 1.498 122.558 121.223 -0.272 0.000 2.319 562 L HA 0.401 4.734 4.340 -0.012 0.000 0.280 562 L C -0.890 175.961 176.870 -0.031 0.000 1.099 562 L CA -0.622 53.857 54.840 -0.601 0.000 0.828 562 L CB -0.041 41.363 42.059 -1.093 0.000 1.150 562 L HN 0.708 nan 8.230 nan 0.000 0.442 563 F N 4.102 123.921 119.950 -0.220 0.000 2.405 563 F HA 0.103 4.624 4.527 -0.011 0.000 0.358 563 F C 0.392 176.126 175.800 -0.108 0.000 1.151 563 F CA -0.853 57.089 58.000 -0.096 0.000 1.161 563 F CB 0.568 39.560 39.000 -0.012 0.000 1.245 563 F HN 0.521 nan 8.300 nan 0.000 0.545 564 D N 4.696 125.106 120.400 0.016 0.000 2.380 564 D HA 0.220 4.852 4.640 -0.012 0.000 0.230 564 D C -1.071 175.177 176.300 -0.085 0.000 1.154 564 D CA 0.060 54.023 54.000 -0.062 0.000 0.859 564 D CB 1.456 42.204 40.800 -0.086 0.000 1.045 564 D HN 0.243 nan 8.370 nan 0.000 0.495 565 V N 4.107 123.953 119.914 -0.113 0.000 2.656 565 V HA 0.490 4.603 4.120 -0.012 0.000 0.307 565 V C -1.409 174.546 176.094 -0.232 0.000 1.051 565 V CA -0.606 61.611 62.300 -0.139 0.000 0.893 565 V CB 1.923 33.722 31.823 -0.040 0.000 0.999 565 V HN 0.586 nan 8.190 nan 0.000 0.426 566 Q N 5.002 124.679 119.800 -0.204 0.000 2.397 566 Q HA 0.636 4.969 4.340 -0.012 0.000 0.260 566 Q C -1.644 174.200 176.000 -0.259 0.000 1.002 566 Q CA -0.579 55.088 55.803 -0.226 0.000 0.716 566 Q CB 1.849 30.480 28.738 -0.179 0.000 1.258 566 Q HN 0.918 nan 8.270 nan 0.000 0.477 567 V N 1.511 121.263 119.914 -0.270 0.000 2.487 567 V HA 0.883 4.996 4.120 -0.012 0.000 0.298 567 V C -0.922 174.898 176.094 -0.457 0.000 1.028 567 V CA -0.523 61.428 62.300 -0.582 0.000 0.860 567 V CB 1.228 32.491 31.823 -0.934 0.000 0.991 567 V HN 0.838 nan 8.190 nan 0.000 0.427 568 K N 2.501 122.657 120.400 -0.407 0.000 3.040 568 K HA 0.444 4.757 4.320 -0.012 0.000 0.300 568 K C -1.241 175.352 176.600 -0.011 0.000 1.092 568 K CA -1.214 55.025 56.287 -0.079 0.000 0.831 568 K CB 0.844 33.303 32.500 -0.069 0.000 1.469 568 K HN 0.439 nan 8.250 nan 0.000 0.365 569 R N 0.896 121.453 120.500 0.096 0.000 2.679 569 R HA 0.171 4.504 4.340 -0.012 0.000 0.268 569 R C 0.314 176.628 176.300 0.023 0.000 1.044 569 R CA -0.356 55.808 56.100 0.106 0.000 1.105 569 R CB -0.154 30.255 30.300 0.181 0.000 0.989 569 R HN 0.482 nan 8.270 nan 0.000 0.447 570 I N 4.502 125.057 120.570 -0.025 0.000 2.517 570 I HA 0.076 4.239 4.170 -0.012 0.000 0.285 570 I C 0.731 176.710 176.117 -0.231 0.000 1.106 570 I CA 0.660 61.892 61.300 -0.115 0.000 1.402 570 I CB -0.328 37.599 38.000 -0.122 0.000 1.399 570 I HN 0.267 nan 8.210 nan 0.000 0.535 571 H N 4.450 123.407 119.070 -0.189 0.000 2.996 571 H HA 0.241 4.790 4.556 -0.012 0.000 0.368 571 H C 0.436 175.630 175.328 -0.224 0.000 1.185 571 H CA -0.465 55.497 56.048 -0.143 0.000 1.160 571 H CB 2.049 31.643 29.762 -0.279 0.000 1.820 571 H HN 0.522 nan 8.280 nan 0.000 0.547 572 E N 1.303 121.575 120.200 0.119 0.000 2.106 572 E HA -0.183 4.160 4.350 -0.012 0.000 0.192 572 E C 1.346 177.693 176.600 -0.423 0.000 0.984 572 E CA 1.243 57.648 56.400 0.008 0.000 0.806 572 E CB 0.075 29.994 29.700 0.364 0.000 0.750 572 E HN 0.546 nan 8.360 nan 0.000 0.458 573 Y N 0.832 120.588 120.300 -0.908 0.000 2.373 573 Y HA 0.042 4.585 4.550 -0.012 0.000 0.293 573 Y C 1.530 177.139 175.900 -0.486 0.000 1.129 573 Y CA 0.713 58.066 58.100 -1.246 0.000 1.226 573 Y CB -0.078 37.680 38.460 -1.170 0.000 1.000 573 Y HN -0.222 nan 8.280 nan 0.000 0.549 574 K N 0.747 120.643 120.400 -0.840 0.000 2.366 574 K HA 0.053 4.365 4.320 -0.012 0.000 0.198 574 K C 0.154 176.573 176.600 -0.300 0.000 1.044 574 K CA 0.557 56.493 56.287 -0.584 0.000 0.973 574 K CB -0.050 32.119 32.500 -0.552 0.000 0.767 574 K HN 0.249 nan 8.250 nan 0.000 0.475 575 R N 0.437 120.787 120.500 -0.251 0.000 3.336 575 R HA -0.227 4.106 4.340 -0.012 0.000 0.260 575 R C 0.284 176.503 176.300 -0.134 0.000 1.032 575 R CA 0.176 56.185 56.100 -0.151 0.000 0.693 575 R CB -1.806 28.422 30.300 -0.121 0.000 1.134 575 R HN 0.279 nan 8.270 nan 0.000 0.433 576 Q N 0.329 120.049 119.800 -0.133 0.000 2.234 576 Q HA -0.054 4.279 4.340 -0.012 0.000 0.206 576 Q C 2.018 177.969 176.000 -0.081 0.000 0.980 576 Q CA 1.418 57.157 55.803 -0.107 0.000 0.869 576 Q CB 0.020 28.699 28.738 -0.099 0.000 0.912 576 Q HN 0.588 nan 8.270 nan 0.000 0.436 577 L N -0.604 120.573 121.223 -0.076 0.000 2.131 577 L HA -0.181 4.152 4.340 -0.012 0.000 0.210 577 L C 2.001 178.870 176.870 -0.001 0.000 1.092 577 L CA 0.545 55.355 54.840 -0.050 0.000 0.759 577 L CB -0.354 41.684 42.059 -0.033 0.000 0.903 577 L HN 0.308 nan 8.230 nan 0.000 0.435 578 L N -0.049 121.165 121.223 -0.016 0.000 2.093 578 L HA -0.220 4.113 4.340 -0.012 0.000 0.208 578 L C 2.022 178.936 176.870 0.074 0.000 1.085 578 L CA 1.860 56.705 54.840 0.008 0.000 0.755 578 L CB -0.796 41.163 42.059 -0.166 0.000 0.904 578 L HN 0.278 nan 8.230 nan 0.000 0.435 579 N N -1.619 117.092 118.700 0.017 0.000 2.120 579 N HA -0.232 4.500 4.740 -0.012 0.000 0.188 579 N C 1.930 177.524 175.510 0.139 0.000 1.024 579 N CA 1.569 54.706 53.050 0.144 0.000 0.852 579 N CB -0.143 38.364 38.487 0.033 0.000 1.003 579 N HN 0.491 nan 8.380 nan 0.000 0.424 580 C N 0.622 119.940 119.300 0.030 0.000 2.413 580 C HA -0.073 4.379 4.460 -0.012 0.000 0.277 580 C C 2.582 177.567 174.990 -0.008 0.000 1.265 580 C CA 0.386 59.377 59.018 -0.044 0.000 1.752 580 C CB -1.245 26.415 27.740 -0.133 0.000 1.998 580 C HN 0.512 nan 8.230 nan 0.000 0.489 581 L N -0.398 120.881 121.223 0.093 0.000 2.083 581 L HA -0.185 4.148 4.340 -0.012 0.000 0.209 581 L C 2.764 179.782 176.870 0.247 0.000 1.083 581 L CA 1.691 56.633 54.840 0.169 0.000 0.752 581 L CB -1.018 41.216 42.059 0.292 0.000 0.899 581 L HN 0.591 nan 8.230 nan 0.000 0.433 582 H N 0.038 119.215 119.070 0.179 0.000 2.326 582 H HA -0.129 4.420 4.556 -0.012 0.000 0.301 582 H C 2.246 177.568 175.328 -0.009 0.000 1.081 582 H CA 1.905 57.978 56.048 0.042 0.000 1.334 582 H CB 0.277 29.995 29.762 -0.073 0.000 1.385 582 H HN 0.076 nan 8.280 nan 0.000 0.504 583 V N 1.794 121.651 119.914 -0.095 0.000 2.252 583 V HA -0.307 3.806 4.120 -0.012 0.000 0.249 583 V C 2.901 178.928 176.094 -0.111 0.000 1.056 583 V CA 2.127 64.336 62.300 -0.151 0.000 1.022 583 V CB -0.611 31.163 31.823 -0.082 0.000 0.641 583 V HN 0.399 nan 8.190 nan 0.000 0.445 584 I N -0.185 120.346 120.570 -0.065 0.000 2.286 584 I HA -0.238 3.925 4.170 -0.012 0.000 0.248 584 I C 2.485 178.640 176.117 0.063 0.000 1.115 584 I CA 1.812 63.128 61.300 0.027 0.000 1.392 584 I CB -0.699 37.283 38.000 -0.030 0.000 1.065 584 I HN 0.350 nan 8.210 nan 0.000 0.418 585 T N 1.095 115.642 114.554 -0.012 0.000 2.746 585 T HA -0.135 4.208 4.350 -0.012 0.000 0.267 585 T C 1.873 176.508 174.700 -0.107 0.000 1.039 585 T CA 1.121 63.204 62.100 -0.028 0.000 1.142 585 T CB -0.221 68.647 68.868 0.001 0.000 0.866 585 T HN 0.084 nan 8.240 nan 0.000 0.444 586 L N 0.133 121.224 121.223 -0.219 0.000 2.017 586 L HA -0.011 4.322 4.340 -0.012 0.000 0.208 586 L C 2.104 178.927 176.870 -0.079 0.000 1.073 586 L CA 1.597 56.310 54.840 -0.211 0.000 0.745 586 L CB -0.972 40.902 42.059 -0.307 0.000 0.894 586 L HN 0.352 nan 8.230 nan 0.000 0.432 587 Y N 0.220 120.449 120.300 -0.118 0.000 2.145 587 Y HA -0.294 4.249 4.550 -0.012 0.000 0.286 587 Y C 2.421 178.293 175.900 -0.047 0.000 1.145 587 Y CA 1.893 59.962 58.100 -0.051 0.000 1.148 587 Y CB -0.119 38.352 38.460 0.019 0.000 0.981 587 Y HN 0.283 nan 8.280 nan 0.000 0.507 588 N N 0.432 119.078 118.700 -0.090 0.000 2.223 588 N HA -0.136 4.597 4.740 -0.012 0.000 0.185 588 N C 1.781 177.176 175.510 -0.192 0.000 1.016 588 N CA 1.439 54.377 53.050 -0.188 0.000 0.863 588 N CB -0.332 38.106 38.487 -0.082 0.000 0.983 588 N HN 0.467 nan 8.380 nan 0.000 0.429 589 R N 0.323 120.734 120.500 -0.148 0.000 2.090 589 R HA 0.119 4.452 4.340 -0.012 0.000 0.228 589 R C 2.189 178.401 176.300 -0.148 0.000 1.110 589 R CA 0.606 56.629 56.100 -0.129 0.000 0.973 589 R CB -0.170 30.064 30.300 -0.110 0.000 0.869 589 R HN 0.230 nan 8.270 nan 0.000 0.440 590 I N 1.024 121.485 120.570 -0.182 0.000 2.202 590 I HA -0.263 3.900 4.170 -0.012 0.000 0.242 590 I C 2.051 178.050 176.117 -0.197 0.000 1.091 590 I CA 1.215 62.409 61.300 -0.176 0.000 1.368 590 I CB -0.153 37.743 38.000 -0.173 0.000 1.058 590 I HN 0.036 nan 8.210 nan 0.000 0.410 591 K N 0.700 120.922 120.400 -0.298 0.000 2.211 591 K HA -0.188 4.125 4.320 -0.012 0.000 0.203 591 K C 2.011 178.514 176.600 -0.161 0.000 1.050 591 K CA 1.047 57.177 56.287 -0.262 0.000 0.945 591 K CB -0.241 32.032 32.500 -0.378 0.000 0.732 591 K HN 0.126 nan 8.250 nan 0.000 0.451 592 K N 1.522 121.832 120.400 -0.150 0.000 2.025 592 K HA -0.084 4.229 4.320 -0.012 0.000 0.207 592 K C 0.160 176.713 176.600 -0.079 0.000 1.049 592 K CA 1.323 57.548 56.287 -0.103 0.000 0.933 592 K CB 0.272 32.715 32.500 -0.095 0.000 0.714 592 K HN 0.060 nan 8.250 nan 0.000 0.438 593 E N -0.351 119.801 120.200 -0.080 0.000 3.037 593 E HA 0.154 4.496 4.350 -0.012 0.000 0.220 593 E C -2.276 174.287 176.600 -0.060 0.000 1.142 593 E CA -1.582 54.784 56.400 -0.058 0.000 0.888 593 E CB 1.547 31.219 29.700 -0.046 0.000 1.329 593 E HN 0.079 nan 8.360 nan 0.000 0.409 594 P HA -0.176 nan 4.420 nan 0.000 0.216 594 P C 0.184 177.465 177.300 -0.033 0.000 1.150 594 P CA 1.272 64.339 63.100 -0.056 0.000 0.843 594 P CB 0.195 31.867 31.700 -0.047 0.000 0.787 595 N N -1.349 117.340 118.700 -0.018 0.000 2.276 595 N HA 0.049 4.782 4.740 -0.012 0.000 0.212 595 N C 0.294 175.818 175.510 0.023 0.000 1.127 595 N CA -0.046 53.006 53.050 0.004 0.000 0.834 595 N CB -0.052 38.438 38.487 0.005 0.000 1.014 595 N HN 0.135 nan 8.380 nan 0.000 0.491 596 K N 0.695 121.102 120.400 0.011 0.000 2.118 596 K HA 0.200 4.513 4.320 -0.012 0.000 0.267 596 K C -0.857 175.781 176.600 0.063 0.000 0.991 596 K CA -0.667 55.642 56.287 0.037 0.000 0.916 596 K CB 0.681 33.184 32.500 0.004 0.000 1.041 596 K HN -0.086 nan 8.250 nan 0.000 0.455 597 F N 4.642 124.577 119.950 -0.025 0.000 2.443 597 F HA 0.321 4.841 4.527 -0.012 0.000 0.353 597 F C -0.640 175.144 175.800 -0.026 0.000 1.101 597 F CA -0.150 57.837 58.000 -0.023 0.000 1.226 597 F CB 0.796 39.786 39.000 -0.018 0.000 1.140 597 F HN 0.204 nan 8.300 nan 0.000 0.557 598 V N 4.102 123.425 119.914 -0.984 0.000 2.808 598 V HA 0.510 4.623 4.120 -0.012 0.000 0.308 598 V C -0.874 174.652 176.094 -0.948 0.000 1.099 598 V CA -1.217 60.662 62.300 -0.702 0.000 0.920 598 V CB 0.797 32.408 31.823 -0.354 0.000 1.014 598 V HN 0.606 nan 8.190 nan 0.000 0.425 599 V N 5.008 124.593 119.914 -0.547 0.000 2.557 599 V HA 0.176 4.289 4.120 -0.012 0.000 0.301 599 V C -1.802 174.134 176.094 -0.264 0.000 1.026 599 V CA -0.272 61.842 62.300 -0.311 0.000 1.137 599 V CB 0.404 32.170 31.823 -0.094 0.000 0.917 599 V HN 0.912 nan 8.190 nan 0.000 0.484 600 P HA 0.349 nan 4.420 nan 0.000 0.271 600 P C -0.424 176.803 177.300 -0.121 0.000 1.216 600 P CA -0.049 62.974 63.100 -0.127 0.000 0.776 600 P CB 0.542 32.214 31.700 -0.047 0.000 0.881 601 R N 1.077 121.519 120.500 -0.097 0.000 2.725 601 R HA 0.591 4.923 4.340 -0.012 0.000 0.277 601 R C -0.895 175.386 176.300 -0.032 0.000 0.987 601 R CA -0.673 55.375 56.100 -0.087 0.000 0.901 601 R CB 2.054 32.285 30.300 -0.115 0.000 1.207 601 R HN 0.268 nan 8.270 nan 0.000 0.463 602 T N 1.811 116.366 114.554 0.002 0.000 2.864 602 T HA 0.237 4.580 4.350 -0.012 0.000 0.310 602 T C -0.452 174.191 174.700 -0.096 0.000 1.040 602 T CA -0.458 61.613 62.100 -0.048 0.000 0.977 602 T CB 1.128 69.936 68.868 -0.100 0.000 0.976 602 T HN 0.134 nan 8.240 nan 0.000 0.459 603 V N 5.926 125.789 119.914 -0.086 0.000 2.385 603 V HA 0.413 4.526 4.120 -0.012 0.000 0.269 603 V C 0.091 176.123 176.094 -0.103 0.000 1.043 603 V CA -0.304 61.946 62.300 -0.084 0.000 0.906 603 V CB 0.647 32.437 31.823 -0.055 0.000 0.995 603 V HN 0.843 nan 8.190 nan 0.000 0.467 604 M N 6.732 126.257 119.600 -0.126 0.000 2.243 604 M HA 0.612 5.084 4.480 -0.012 0.000 0.324 604 M C -0.987 175.213 176.300 -0.167 0.000 1.031 604 M CA -0.157 55.058 55.300 -0.143 0.000 0.949 604 M CB 1.970 34.481 32.600 -0.148 0.000 1.615 604 M HN 0.418 nan 8.290 nan 0.000 0.430 605 I N 1.867 122.316 120.570 -0.203 0.000 2.498 605 I HA 0.832 4.995 4.170 -0.012 0.000 0.290 605 I C 0.055 175.841 176.117 -0.552 0.000 1.032 605 I CA -0.631 60.518 61.300 -0.252 0.000 1.073 605 I CB 2.324 40.266 38.000 -0.097 0.000 1.251 605 I HN 0.798 nan 8.210 nan 0.000 0.426 606 G N 2.931 111.380 108.800 -0.585 0.000 2.690 606 G HA2 0.833 4.786 3.960 -0.012 0.000 0.293 606 G HA3 0.833 4.786 3.960 -0.012 0.000 0.293 606 G C -1.035 173.571 174.900 -0.489 0.000 1.399 606 G CA -0.733 43.879 45.100 -0.814 0.000 0.890 606 G HN 0.993 nan 8.290 nan 0.000 0.485 607 G N -0.386 108.284 108.800 -0.216 0.000 2.352 607 G HA2 0.412 4.365 3.960 -0.012 0.000 0.305 607 G HA3 0.412 4.365 3.960 -0.012 0.000 0.305 607 G C -1.277 173.752 174.900 0.215 0.000 1.537 607 G CA -1.025 44.103 45.100 0.047 0.000 0.959 607 G HN 0.610 nan 8.290 nan 0.000 0.668 608 K N -0.175 120.345 120.400 0.201 0.000 2.098 608 K HA 0.776 5.089 4.320 -0.012 0.000 0.258 608 K C 0.199 176.913 176.600 0.189 0.000 0.973 608 K CA -0.236 56.184 56.287 0.223 0.000 0.898 608 K CB 2.088 34.635 32.500 0.079 0.000 1.057 608 K HN 0.887 nan 8.250 nan 0.000 0.447 609 A N 1.216 124.179 122.820 0.238 0.000 2.337 609 A HA 0.663 4.976 4.320 -0.012 0.000 0.329 609 A C -0.566 177.160 177.584 0.235 0.000 1.146 609 A CA -0.764 51.340 52.037 0.113 0.000 0.800 609 A CB 1.149 20.139 19.000 -0.016 0.000 1.220 609 A HN 0.766 nan 8.150 nan 0.000 0.472 610 A N 3.254 126.187 122.820 0.189 0.000 2.511 610 A HA 0.487 4.800 4.320 -0.012 0.000 0.242 610 A C -1.411 176.240 177.584 0.112 0.000 1.069 610 A CA -0.844 51.321 52.037 0.213 0.000 0.763 610 A CB -0.383 18.716 19.000 0.165 0.000 1.001 610 A HN 0.595 nan 8.150 nan 0.000 0.498 611 P HA -0.166 nan 4.420 nan 0.000 0.217 611 P C 1.242 178.529 177.300 -0.022 0.000 1.151 611 P CA 2.113 65.153 63.100 -0.100 0.000 0.849 611 P CB 0.213 31.809 31.700 -0.174 0.000 0.787 612 G N -3.151 105.661 108.800 0.020 0.000 3.337 612 G HA2 -0.044 3.909 3.960 -0.012 0.000 0.246 612 G HA3 -0.044 3.909 3.960 -0.012 0.000 0.246 612 G C -0.327 174.611 174.900 0.064 0.000 1.131 612 G CA -0.108 45.011 45.100 0.031 0.000 0.773 612 G HN 0.309 nan 8.290 nan 0.000 0.544 613 Y N 1.673 121.915 120.300 -0.096 0.000 2.802 613 Y HA 0.192 4.735 4.550 -0.012 0.000 0.330 613 Y C 1.666 177.546 175.900 -0.032 0.000 1.193 613 Y CA -1.098 56.925 58.100 -0.129 0.000 1.427 613 Y CB 0.032 38.368 38.460 -0.207 0.000 1.357 613 Y HN 0.344 nan 8.280 nan 0.000 0.501 614 H N 3.574 122.745 119.070 0.168 0.000 2.289 614 H HA -0.273 4.276 4.556 -0.012 0.000 0.294 614 H C 1.821 177.176 175.328 0.044 0.000 1.095 614 H CA 2.576 58.677 56.048 0.088 0.000 1.256 614 H CB 0.295 30.105 29.762 0.079 0.000 1.359 614 H HN 0.702 nan 8.280 nan 0.000 0.487 615 M N 0.968 120.579 119.600 0.018 0.000 2.149 615 M HA -0.099 4.374 4.480 -0.012 0.000 0.261 615 M C 2.544 178.617 176.300 -0.378 0.000 1.064 615 M CA 1.873 57.095 55.300 -0.130 0.000 1.102 615 M CB -0.716 31.945 32.600 0.101 0.000 1.369 615 M HN 0.370 nan 8.290 nan 0.000 0.408 616 A N -0.699 121.672 122.820 -0.749 0.000 1.930 616 A HA -0.174 4.139 4.320 -0.012 0.000 0.217 616 A C 2.189 179.561 177.584 -0.353 0.000 1.175 616 A CA 1.770 53.367 52.037 -0.733 0.000 0.627 616 A CB -0.586 17.763 19.000 -1.085 0.000 0.815 616 A HN 0.575 nan 8.150 nan 0.000 0.443 617 K N -1.104 119.145 120.400 -0.253 0.000 2.155 617 K HA 0.002 4.315 4.320 -0.012 0.000 0.203 617 K C 1.865 178.403 176.600 -0.103 0.000 1.052 617 K CA 1.093 57.314 56.287 -0.110 0.000 0.948 617 K CB -0.151 32.343 32.500 -0.011 0.000 0.728 617 K HN 0.326 nan 8.250 nan 0.000 0.448 618 M N 0.388 119.881 119.600 -0.179 0.000 2.254 618 M HA -0.052 4.421 4.480 -0.012 0.000 0.265 618 M C 2.019 178.249 176.300 -0.118 0.000 1.066 618 M CA 1.382 56.616 55.300 -0.109 0.000 1.123 618 M CB -0.474 32.050 32.600 -0.127 0.000 1.388 618 M HN 0.131 nan 8.290 nan 0.000 0.425 619 I N -0.317 120.148 120.570 -0.175 0.000 2.315 619 I HA -0.275 3.887 4.170 -0.012 0.000 0.248 619 I C 2.257 178.240 176.117 -0.224 0.000 1.117 619 I CA 0.939 62.127 61.300 -0.186 0.000 1.404 619 I CB -0.255 37.635 38.000 -0.183 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.745 121.158 120.570 -0.262 0.000 2.226 620 I HA -0.289 3.874 4.170 -0.012 0.000 0.245 620 I C 2.591 178.414 176.117 -0.491 0.000 1.100 620 I CA 1.217 62.262 61.300 -0.424 0.000 1.374 620 I CB -0.265 37.461 38.000 -0.457 0.000 1.057 620 I HN 0.144 nan 8.210 nan 0.000 0.413 621 K N 1.528 121.654 120.400 -0.457 0.000 2.097 621 K HA -0.140 4.173 4.320 -0.012 0.000 0.206 621 K C 2.031 178.468 176.600 -0.271 0.000 1.049 621 K CA 1.408 57.351 56.287 -0.575 0.000 0.933 621 K CB -0.505 31.369 32.500 -1.044 0.000 0.717 621 K HN 0.233 nan 8.250 nan 0.000 0.442 622 L N 0.364 121.458 121.223 -0.216 0.000 2.017 622 L HA -0.145 4.188 4.340 -0.012 0.000 0.208 622 L C 2.137 178.775 176.870 -0.386 0.000 1.073 622 L CA 1.639 56.187 54.840 -0.487 0.000 0.745 622 L CB -0.280 41.399 42.059 -0.633 0.000 0.894 622 L HN 0.261 nan 8.230 nan 0.000 0.432 623 I N -0.024 120.368 120.570 -0.296 0.000 2.163 623 I HA -0.340 3.823 4.170 -0.012 0.000 0.243 623 I C 2.624 178.641 176.117 -0.166 0.000 1.085 623 I CA 1.976 63.157 61.300 -0.199 0.000 1.347 623 I CB -0.621 37.339 38.000 -0.067 0.000 1.044 623 I HN 0.432 nan 8.210 nan 0.000 0.408 624 T N -0.840 113.584 114.554 -0.217 0.000 2.867 624 T HA -0.059 4.284 4.350 -0.012 0.000 0.268 624 T C 1.963 176.597 174.700 -0.108 0.000 1.057 624 T CA 0.922 62.927 62.100 -0.159 0.000 1.136 624 T CB -0.438 68.286 68.868 -0.241 0.000 0.874 624 T HN 0.348 nan 8.240 nan 0.000 0.466 625 A N 1.604 124.356 122.820 -0.114 0.000 1.930 625 A HA 0.156 4.469 4.320 -0.012 0.000 0.217 625 A C 2.382 179.983 177.584 0.029 0.000 1.175 625 A CA 1.232 53.269 52.037 0.001 0.000 0.627 625 A CB -0.786 18.304 19.000 0.150 0.000 0.815 625 A HN 0.594 nan 8.150 nan 0.000 0.443 626 I N -0.300 120.187 120.570 -0.137 0.000 2.226 626 I HA -0.189 3.974 4.170 -0.012 0.000 0.245 626 I C 2.682 178.772 176.117 -0.045 0.000 1.100 626 I CA 1.081 62.277 61.300 -0.173 0.000 1.374 626 I CB -0.650 37.128 38.000 -0.370 0.000 1.057 626 I HN 0.395 nan 8.210 nan 0.000 0.413 627 G N 0.505 109.279 108.800 -0.044 0.000 2.422 627 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.218 627 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.218 627 G C 1.275 176.221 174.900 0.077 0.000 1.146 627 G CA 0.829 45.931 45.100 0.004 0.000 0.769 627 G HN 0.304 nan 8.290 nan 0.000 0.547 628 D N 0.097 120.535 120.400 0.062 0.000 2.178 628 D HA -0.068 4.564 4.640 -0.012 0.000 0.201 628 D C 2.666 179.003 176.300 0.061 0.000 0.980 628 D CA 0.654 54.682 54.000 0.047 0.000 0.842 628 D CB 0.021 40.796 40.800 -0.042 0.000 0.948 628 D HN 0.259 nan 8.370 nan 0.000 0.472 629 V N 0.452 120.400 119.914 0.057 0.000 2.331 629 V HA -0.130 3.983 4.120 -0.012 0.000 0.242 629 V C 2.630 178.707 176.094 -0.028 0.000 1.034 629 V CA 0.698 62.994 62.300 -0.006 0.000 1.027 629 V CB -0.181 31.641 31.823 -0.001 0.000 0.667 629 V HN 0.005 nan 8.190 nan 0.000 0.457 630 V N 1.015 120.862 119.914 -0.113 0.000 2.307 630 V HA -0.199 3.914 4.120 -0.012 0.000 0.245 630 V C 2.156 178.269 176.094 0.031 0.000 1.045 630 V CA 2.001 64.229 62.300 -0.120 0.000 1.024 630 V CB -0.865 30.868 31.823 -0.149 0.000 0.651 630 V HN 0.573 nan 8.190 nan 0.000 0.449 631 N N -0.181 118.540 118.700 0.035 0.000 2.520 631 N HA -0.102 4.631 4.740 -0.012 0.000 0.185 631 N C 1.136 176.498 175.510 -0.247 0.000 1.068 631 N CA 0.927 53.926 53.050 -0.084 0.000 0.911 631 N CB -0.257 38.155 38.487 -0.125 0.000 0.961 631 N HN 0.656 nan 8.380 nan 0.000 0.446 632 H N -1.217 117.851 119.070 -0.003 0.000 2.674 632 H HA 0.208 4.757 4.556 -0.012 0.000 0.274 632 H C -0.533 174.807 175.328 0.019 0.000 1.121 632 H CA -0.552 55.495 56.048 -0.001 0.000 1.132 632 H CB 0.439 30.195 29.762 -0.010 0.000 1.606 632 H HN 0.016 nan 8.280 nan 0.000 0.558 633 D N 1.576 122.056 120.400 0.134 0.000 2.347 633 D HA 0.062 4.694 4.640 -0.012 0.000 0.235 633 D C -1.673 174.678 176.300 0.085 0.000 1.149 633 D CA -1.956 52.131 54.000 0.146 0.000 0.850 633 D CB 1.758 42.729 40.800 0.285 0.000 1.061 633 D HN 0.072 nan 8.370 nan 0.000 0.487 634 P HA -0.161 nan 4.420 nan 0.000 0.216 634 P C 1.575 178.884 177.300 0.016 0.000 1.150 634 P CA 0.574 63.688 63.100 0.024 0.000 0.843 634 P CB 0.401 32.114 31.700 0.021 0.000 0.787 635 V N -0.817 119.110 119.914 0.022 0.000 2.490 635 V HA -0.170 3.943 4.120 -0.012 0.000 0.250 635 V C 2.376 178.467 176.094 -0.006 0.000 1.061 635 V CA 1.568 63.867 62.300 -0.000 0.000 1.064 635 V CB -1.072 30.741 31.823 -0.017 0.000 0.670 635 V HN -0.003 nan 8.190 nan 0.000 0.461 636 V N -0.195 119.733 119.914 0.023 0.000 2.453 636 V HA 0.137 4.249 4.120 -0.012 0.000 0.247 636 V C 1.844 177.937 176.094 -0.003 0.000 1.048 636 V CA 1.400 63.713 62.300 0.022 0.000 1.049 636 V CB -1.118 30.770 31.823 0.107 0.000 0.672 636 V HN 0.727 nan 8.190 nan 0.000 0.457 637 G N 1.779 110.575 108.800 -0.007 0.000 2.583 637 G HA2 -0.370 3.583 3.960 -0.012 0.000 0.292 637 G HA3 -0.370 3.583 3.960 -0.012 0.000 0.292 637 G C 0.219 175.091 174.900 -0.046 0.000 1.203 637 G CA 0.486 45.569 45.100 -0.030 0.000 0.987 637 G HN 0.714 nan 8.290 nan 0.000 0.554 638 D N 0.189 120.563 120.400 -0.044 0.000 2.615 638 D HA 0.333 4.966 4.640 -0.012 0.000 0.236 638 D C 1.577 177.858 176.300 -0.031 0.000 1.233 638 D CA -0.151 53.822 54.000 -0.044 0.000 0.829 638 D CB 0.066 40.843 40.800 -0.038 0.000 1.024 638 D HN 0.587 nan 8.370 nan 0.000 0.490 639 R N -0.734 119.742 120.500 -0.041 0.000 2.210 639 R HA 0.299 4.631 4.340 -0.012 0.000 0.203 639 R C -0.112 176.150 176.300 -0.064 0.000 1.010 639 R CA 0.123 56.183 56.100 -0.067 0.000 1.008 639 R CB 0.430 30.675 30.300 -0.092 0.000 0.923 639 R HN 0.098 nan 8.270 nan 0.000 0.469 640 L N 0.583 121.784 121.223 -0.036 0.000 2.543 640 L HA 0.435 4.768 4.340 -0.012 0.000 0.265 640 L C -1.707 175.150 176.870 -0.021 0.000 0.945 640 L CA -0.574 54.249 54.840 -0.028 0.000 0.869 640 L CB 1.821 43.878 42.059 -0.004 0.000 1.294 640 L HN -0.158 nan 8.230 nan 0.000 0.405 641 R N 3.787 124.267 120.500 -0.034 0.000 2.621 641 R HA 0.731 5.064 4.340 -0.012 0.000 0.284 641 R C -1.635 174.636 176.300 -0.048 0.000 0.998 641 R CA -0.755 55.320 56.100 -0.041 0.000 0.895 641 R CB 2.361 32.635 30.300 -0.042 0.000 1.195 641 R HN 0.387 nan 8.270 nan 0.000 0.450 642 V N 5.226 125.114 119.914 -0.043 0.000 2.326 642 V HA 0.422 4.535 4.120 -0.012 0.000 0.281 642 V C -0.024 176.054 176.094 -0.026 0.000 1.015 642 V CA -0.663 61.611 62.300 -0.043 0.000 0.823 642 V CB 1.479 33.272 31.823 -0.051 0.000 1.009 642 V HN 0.472 nan 8.190 nan 0.000 0.436 643 I N 4.725 125.273 120.570 -0.037 0.000 2.441 643 I HA 0.435 4.597 4.170 -0.012 0.000 0.295 643 I C -0.504 175.608 176.117 -0.008 0.000 0.994 643 I CA -0.703 60.583 61.300 -0.022 0.000 1.144 643 I CB 1.719 39.684 38.000 -0.059 0.000 1.314 643 I HN 0.530 nan 8.210 nan 0.000 0.445 644 F N 6.755 126.650 119.950 -0.092 0.000 2.361 644 F HA 0.419 4.939 4.527 -0.011 0.000 0.364 644 F C -0.475 175.263 175.800 -0.104 0.000 1.120 644 F CA -0.771 57.172 58.000 -0.095 0.000 1.102 644 F CB 0.816 39.758 39.000 -0.096 0.000 1.183 644 F HN 0.150 nan 8.300 nan 0.000 0.476 645 L N 6.515 127.346 121.223 -0.654 0.000 2.407 645 L HA 0.151 4.484 4.340 -0.012 0.000 0.282 645 L C 0.310 176.914 176.870 -0.443 0.000 1.110 645 L CA -0.098 54.495 54.840 -0.411 0.000 0.863 645 L CB 0.013 41.935 42.059 -0.228 0.000 1.207 645 L HN 0.630 nan 8.230 nan 0.000 0.454 646 E N 2.436 122.521 120.200 -0.191 0.000 2.319 646 E HA 0.163 4.506 4.350 -0.012 0.000 0.268 646 E C 0.157 176.830 176.600 0.122 0.000 1.050 646 E CA -0.688 55.753 56.400 0.068 0.000 0.878 646 E CB 0.470 30.260 29.700 0.149 0.000 1.066 646 E HN 0.435 nan 8.360 nan 0.000 0.406 647 N N 0.522 119.346 118.700 0.205 0.000 2.738 647 N HA -0.254 4.478 4.740 -0.012 0.000 0.249 647 N C -1.470 174.144 175.510 0.173 0.000 1.047 647 N CA 0.455 53.621 53.050 0.193 0.000 0.707 647 N CB -1.716 36.897 38.487 0.209 0.000 0.937 647 N HN 0.617 nan 8.380 nan 0.000 0.545 648 Y N 1.464 121.785 120.300 0.035 0.000 2.721 648 Y HA 0.171 4.713 4.550 -0.012 0.000 0.329 648 Y C 1.109 177.036 175.900 0.044 0.000 1.211 648 Y CA 0.638 58.746 58.100 0.014 0.000 1.512 648 Y CB 0.307 38.743 38.460 -0.040 0.000 1.249 648 Y HN 0.368 nan 8.280 nan 0.000 0.549 649 R N 2.436 122.617 120.500 -0.531 0.000 2.762 649 R HA 0.482 4.815 4.340 -0.012 0.000 0.271 649 R C -0.320 175.652 176.300 -0.546 0.000 1.038 649 R CA -0.616 55.242 56.100 -0.404 0.000 0.906 649 R CB 0.356 30.601 30.300 -0.092 0.000 1.259 649 R HN 0.347 nan 8.270 nan 0.000 0.457 650 V N 1.020 120.655 119.914 -0.466 0.000 2.282 650 V HA -0.305 3.808 4.120 -0.012 0.000 0.249 650 V C 2.579 178.551 176.094 -0.203 0.000 1.057 650 V CA 2.832 64.919 62.300 -0.355 0.000 1.032 650 V CB -0.871 30.723 31.823 -0.383 0.000 0.645 650 V HN 0.939 nan 8.190 nan 0.000 0.447 651 S N 0.164 115.765 115.700 -0.165 0.000 2.382 651 S HA -0.191 4.272 4.470 -0.012 0.000 0.228 651 S C 1.931 176.476 174.600 -0.092 0.000 1.027 651 S CA 1.726 59.855 58.200 -0.119 0.000 0.991 651 S CB -0.572 62.587 63.200 -0.068 0.000 0.823 651 S HN 0.398 nan 8.310 nan 0.000 0.469 652 L N 1.861 123.036 121.223 -0.080 0.000 2.156 652 L HA 0.325 4.658 4.340 -0.012 0.000 0.208 652 L C 2.629 179.503 176.870 0.006 0.000 1.095 652 L CA 1.340 56.178 54.840 -0.003 0.000 0.770 652 L CB -1.210 40.901 42.059 0.088 0.000 0.914 652 L HN 0.364 nan 8.230 nan 0.000 0.439 653 A N -0.764 122.023 122.820 -0.055 0.000 1.930 653 A HA -0.199 4.113 4.320 -0.012 0.000 0.217 653 A C 2.111 179.752 177.584 0.095 0.000 1.175 653 A CA 1.606 53.689 52.037 0.076 0.000 0.627 653 A CB -0.549 18.482 19.000 0.052 0.000 0.815 653 A HN 0.581 nan 8.150 nan 0.000 0.443 654 E N -0.299 119.935 120.200 0.056 0.000 2.265 654 E HA -0.162 4.181 4.350 -0.012 0.000 0.196 654 E C 1.821 178.387 176.600 -0.056 0.000 0.996 654 E CA 1.158 57.549 56.400 -0.015 0.000 0.832 654 E CB -0.042 29.555 29.700 -0.171 0.000 0.756 654 E HN 0.618 nan 8.360 nan 0.000 0.491 655 K N 0.027 120.378 120.400 -0.082 0.000 2.141 655 K HA 0.030 4.343 4.320 -0.012 0.000 0.202 655 K C 2.168 178.603 176.600 -0.275 0.000 1.045 655 K CA 0.437 56.661 56.287 -0.105 0.000 0.971 655 K CB -0.006 32.432 32.500 -0.105 0.000 0.795 655 K HN -0.045 nan 8.250 nan 0.000 0.459 656 V N 1.990 121.650 119.914 -0.422 0.000 2.488 656 V HA -0.133 3.980 4.120 -0.012 0.000 0.246 656 V C 1.900 177.771 176.094 -0.371 0.000 1.046 656 V CA 1.221 63.056 62.300 -0.777 0.000 1.053 656 V CB -0.184 31.301 31.823 -0.563 0.000 0.679 656 V HN 0.241 nan 8.190 nan 0.000 0.458 657 I N 0.672 121.083 120.570 -0.264 0.000 2.163 657 I HA -0.143 4.019 4.170 -0.012 0.000 0.243 657 I C -0.185 175.836 176.117 -0.161 0.000 1.085 657 I CA 1.749 62.838 61.300 -0.351 0.000 1.347 657 I CB -1.580 36.101 38.000 -0.533 0.000 1.044 657 I HN 0.364 nan 8.210 nan 0.000 0.408 658 P HA -0.123 nan 4.420 nan 0.000 0.222 658 P C 0.913 178.219 177.300 0.010 0.000 1.147 658 P CA 1.286 64.370 63.100 -0.027 0.000 0.790 658 P CB 0.035 31.726 31.700 -0.016 0.000 0.780 659 A N -1.416 121.398 122.820 -0.010 0.000 2.275 659 A HA 0.496 4.809 4.320 -0.012 0.000 0.212 659 A C 1.090 178.793 177.584 0.199 0.000 1.201 659 A CA 0.042 52.129 52.037 0.084 0.000 0.843 659 A CB -0.639 18.434 19.000 0.122 0.000 0.873 659 A HN 0.189 nan 8.150 nan 0.000 0.492 660 A N -0.348 122.583 122.820 0.185 0.000 2.316 660 A HA 0.518 4.831 4.320 -0.012 0.000 0.284 660 A C 0.314 178.049 177.584 0.252 0.000 1.115 660 A CA -0.240 51.966 52.037 0.281 0.000 0.812 660 A CB 0.454 19.688 19.000 0.390 0.000 1.064 660 A HN 0.254 nan 8.150 nan 0.000 0.489 661 D N 0.177 120.723 120.400 0.242 0.000 2.463 661 D HA 0.139 4.772 4.640 -0.012 0.000 0.237 661 D C -0.095 176.426 176.300 0.368 0.000 1.013 661 D CA 0.649 54.840 54.000 0.319 0.000 0.910 661 D CB 0.381 41.269 40.800 0.146 0.000 1.080 661 D HN 0.336 nan 8.370 nan 0.000 0.498 662 L N 1.227 122.548 121.223 0.164 0.000 2.376 662 L HA 0.291 4.624 4.340 -0.012 0.000 0.275 662 L C -0.811 175.951 176.870 -0.180 0.000 0.987 662 L CA -0.278 54.585 54.840 0.040 0.000 0.828 662 L CB 2.123 44.178 42.059 -0.006 0.000 1.249 662 L HN -0.188 nan 8.230 nan 0.000 0.409 663 S N 4.122 119.630 115.700 -0.320 0.000 2.438 663 S HA 0.318 4.780 4.470 -0.012 0.000 0.293 663 S C -0.373 173.961 174.600 -0.443 0.000 1.141 663 S CA -0.657 57.104 58.200 -0.733 0.000 1.080 663 S CB 0.612 63.317 63.200 -0.825 0.000 0.978 663 S HN 0.531 nan 8.310 nan 0.000 0.479 664 E N 4.137 124.083 120.200 -0.424 0.000 2.044 664 E HA 0.210 4.552 4.350 -0.012 0.000 0.282 664 E C -0.580 175.912 176.600 -0.180 0.000 1.031 664 E CA -0.424 55.852 56.400 -0.207 0.000 0.824 664 E CB 1.007 30.613 29.700 -0.156 0.000 1.076 664 E HN 0.589 nan 8.360 nan 0.000 0.395 665 Q N 2.831 122.580 119.800 -0.084 0.000 2.907 665 Q HA 0.274 4.606 4.340 -0.012 0.000 0.262 665 Q C 0.589 176.581 176.000 -0.012 0.000 0.997 665 Q CA -0.152 55.614 55.803 -0.061 0.000 0.797 665 Q CB 0.330 29.044 28.738 -0.040 0.000 1.228 665 Q HN 0.614 nan 8.270 nan 0.000 0.466 666 I N -1.482 119.066 120.570 -0.037 0.000 3.637 666 I HA 0.279 4.442 4.170 -0.012 0.000 0.342 666 I C 0.398 176.464 176.117 -0.085 0.000 1.545 666 I CA -0.657 60.630 61.300 -0.022 0.000 1.126 666 I CB 0.337 38.318 38.000 -0.030 0.000 1.375 666 I HN 0.018 nan 8.210 nan 0.000 0.467 667 S N 0.349 115.999 115.700 -0.084 0.000 2.584 667 S HA 0.227 4.690 4.470 -0.012 0.000 0.270 667 S C 0.540 175.115 174.600 -0.041 0.000 1.346 667 S CA -0.296 57.869 58.200 -0.059 0.000 1.018 667 S CB 0.524 63.739 63.200 0.025 0.000 0.899 667 S HN 0.387 nan 8.310 nan 0.000 0.542 668 T N 2.529 117.088 114.554 0.007 0.000 2.888 668 T HA 0.427 4.770 4.350 -0.012 0.000 0.301 668 T C 0.706 175.408 174.700 0.004 0.000 1.001 668 T CA 0.174 62.286 62.100 0.019 0.000 1.147 668 T CB 0.132 69.077 68.868 0.129 0.000 0.931 668 T HN 1.001 nan 8.240 nan 0.000 0.541 669 A N 2.724 125.518 122.820 -0.044 0.000 2.580 669 A HA 0.430 4.743 4.320 -0.012 0.000 0.244 669 A C 1.649 179.221 177.584 -0.020 0.000 1.045 669 A CA 0.383 52.392 52.037 -0.047 0.000 0.761 669 A CB -0.949 18.012 19.000 -0.065 0.000 0.962 669 A HN 1.681 nan 8.150 nan 0.000 0.512 670 G N 1.425 110.212 108.800 -0.023 0.000 2.176 670 G HA2 -0.247 3.706 3.960 -0.012 0.000 0.232 670 G HA3 -0.247 3.706 3.960 -0.012 0.000 0.232 670 G C 0.926 175.804 174.900 -0.036 0.000 0.986 670 G CA 1.090 46.178 45.100 -0.021 0.000 0.643 670 G HN 1.995 nan 8.290 nan 0.000 0.522 671 T N -2.311 112.218 114.554 -0.043 0.000 3.042 671 T HA 0.391 4.734 4.350 -0.012 0.000 0.245 671 T C 0.803 175.340 174.700 -0.271 0.000 1.029 671 T CA 1.132 63.137 62.100 -0.158 0.000 1.120 671 T CB 0.491 69.300 68.868 -0.098 0.000 0.917 671 T HN 0.288 nan 8.240 nan 0.000 0.467 672 E N 1.549 121.716 120.200 -0.054 0.000 2.001 672 E HA 0.658 5.001 4.350 -0.012 0.000 0.279 672 E C 1.208 177.751 176.600 -0.095 0.000 1.045 672 E CA 0.064 56.474 56.400 0.017 0.000 0.833 672 E CB 0.657 30.428 29.700 0.118 0.000 1.077 672 E HN 0.345 nan 8.360 nan 0.000 0.397 673 A N 3.430 126.115 122.820 -0.224 0.000 1.915 673 A HA -0.272 4.041 4.320 -0.012 0.000 0.220 673 A C 1.990 179.442 177.584 -0.221 0.000 1.198 673 A CA 2.483 54.250 52.037 -0.449 0.000 0.647 673 A CB -0.345 18.194 19.000 -0.769 0.000 0.825 673 A HN 0.621 nan 8.150 nan 0.000 0.456 674 S N -4.221 111.414 115.700 -0.109 0.000 4.193 674 S HA 0.456 4.919 4.470 -0.012 0.000 0.211 674 S C 0.670 175.258 174.600 -0.019 0.000 1.162 674 S CA 1.361 59.542 58.200 -0.031 0.000 1.039 674 S CB -0.091 63.115 63.200 0.011 0.000 1.371 674 S HN 2.364 nan 8.310 nan 0.000 0.550 675 G N 0.197 108.994 108.800 -0.006 0.000 2.692 675 G HA2 0.004 3.957 3.960 -0.012 0.000 0.686 675 G HA3 0.004 3.957 3.960 -0.012 0.000 0.686 675 G C 0.226 175.109 174.900 -0.027 0.000 1.243 675 G CA 0.457 45.551 45.100 -0.009 0.000 0.782 675 G HN 1.358 nan 8.290 nan 0.000 0.625 676 T N -2.197 112.328 114.554 -0.048 0.000 3.051 676 T HA 0.372 4.715 4.350 -0.012 0.000 0.254 676 T C 2.382 176.988 174.700 -0.155 0.000 0.916 676 T CA 1.265 63.307 62.100 -0.096 0.000 0.894 676 T CB 0.243 69.046 68.868 -0.109 0.000 1.251 676 T HN 1.899 nan 8.240 nan 0.000 0.517 677 G N 3.130 111.866 108.800 -0.106 0.000 2.442 677 G HA2 -0.272 3.680 3.960 -0.012 0.000 0.219 677 G HA3 -0.272 3.680 3.960 -0.012 0.000 0.219 677 G C 1.447 176.408 174.900 0.101 0.000 1.141 677 G CA 1.213 46.272 45.100 -0.069 0.000 0.763 677 G HN 0.834 nan 8.290 nan 0.000 0.554 678 N N 0.123 118.864 118.700 0.067 0.000 2.094 678 N HA -0.168 4.565 4.740 -0.012 0.000 0.191 678 N C 2.222 177.752 175.510 0.032 0.000 1.023 678 N CA 1.414 54.508 53.050 0.075 0.000 0.857 678 N CB -0.365 38.111 38.487 -0.018 0.000 1.013 678 N HN 0.345 nan 8.380 nan 0.000 0.426 679 M N 0.811 120.357 119.600 -0.090 0.000 2.132 679 M HA -0.050 4.423 4.480 -0.012 0.000 0.263 679 M C 2.071 178.328 176.300 -0.071 0.000 1.065 679 M CA 1.518 56.747 55.300 -0.119 0.000 1.122 679 M CB -0.099 32.434 32.600 -0.113 0.000 1.365 679 M HN 0.117 nan 8.290 nan 0.000 0.411 680 K N -0.007 120.276 120.400 -0.195 0.000 2.032 680 K HA -0.141 4.172 4.320 -0.012 0.000 0.209 680 K C 1.712 178.189 176.600 -0.204 0.000 1.048 680 K CA 1.498 57.599 56.287 -0.309 0.000 0.927 680 K CB -0.345 31.742 32.500 -0.689 0.000 0.712 680 K HN 0.163 nan 8.250 nan 0.000 0.441 681 F N 1.046 120.934 119.950 -0.102 0.000 2.134 681 F HA -0.132 4.388 4.527 -0.013 0.000 0.299 681 F C 2.585 178.363 175.800 -0.035 0.000 1.097 681 F CA 1.196 59.159 58.000 -0.060 0.000 1.264 681 F CB -0.333 38.622 39.000 -0.076 0.000 1.001 681 F HN 0.005 nan 8.300 nan 0.000 0.479 682 M N -0.429 119.260 119.600 0.148 0.000 2.159 682 M HA -0.194 4.279 4.480 -0.012 0.000 0.263 682 M C 2.072 178.429 176.300 0.095 0.000 1.063 682 M CA 1.566 56.925 55.300 0.100 0.000 1.110 682 M CB -0.213 32.449 32.600 0.102 0.000 1.374 682 M HN 0.266 nan 8.290 nan 0.000 0.411 683 L N 0.755 122.032 121.223 0.089 0.000 2.291 683 L HA -0.059 4.273 4.340 -0.012 0.000 0.214 683 L C 1.291 178.205 176.870 0.073 0.000 1.120 683 L CA 1.564 56.461 54.840 0.094 0.000 0.799 683 L CB -0.569 41.556 42.059 0.110 0.000 0.925 683 L HN 0.341 nan 8.230 nan 0.000 0.446 684 N N -0.101 118.633 118.700 0.058 0.000 2.251 684 N HA 0.172 4.905 4.740 -0.012 0.000 0.217 684 N C 0.839 176.385 175.510 0.060 0.000 1.124 684 N CA 0.788 53.867 53.050 0.048 0.000 0.843 684 N CB 0.524 39.020 38.487 0.014 0.000 1.024 684 N HN 0.399 nan 8.380 nan 0.000 0.501 685 G N 0.450 109.289 108.800 0.065 0.000 2.142 685 G HA2 -0.190 3.763 3.960 -0.012 0.000 0.225 685 G HA3 -0.190 3.763 3.960 -0.012 0.000 0.225 685 G C -0.041 174.925 174.900 0.111 0.000 1.015 685 G CA 0.148 45.287 45.100 0.065 0.000 0.716 685 G HN 0.529 nan 8.290 nan 0.000 0.508 686 A N -0.542 122.352 122.820 0.123 0.000 2.340 686 A HA 0.894 5.206 4.320 -0.012 0.000 0.331 686 A C -0.137 177.449 177.584 0.003 0.000 1.140 686 A CA -0.690 51.440 52.037 0.155 0.000 0.801 686 A CB 1.389 20.542 19.000 0.256 0.000 1.234 686 A HN 0.748 nan 8.150 nan 0.000 0.469 687 L N 0.778 121.968 121.223 -0.054 0.000 2.399 687 L HA 0.531 4.864 4.340 -0.012 0.000 0.266 687 L C 0.573 177.316 176.870 -0.212 0.000 1.114 687 L CA 0.578 55.269 54.840 -0.248 0.000 0.804 687 L CB 1.492 43.302 42.059 -0.415 0.000 1.146 687 L HN 0.729 nan 8.230 nan 0.000 0.451 688 T N 4.035 118.327 114.554 -0.437 0.000 2.779 688 T HA 0.510 4.853 4.350 -0.012 0.000 0.280 688 T C -0.306 174.290 174.700 -0.172 0.000 0.987 688 T CA -0.187 61.661 62.100 -0.420 0.000 0.966 688 T CB 0.831 69.268 68.868 -0.719 0.000 0.933 688 T HN 0.434 nan 8.240 nan 0.000 0.442 689 I N 3.096 123.663 120.570 -0.005 0.000 2.339 689 I HA 0.732 4.895 4.170 -0.012 0.000 0.290 689 I C 0.066 176.343 176.117 0.268 0.000 0.994 689 I CA 0.073 61.482 61.300 0.182 0.000 1.191 689 I CB 0.344 38.376 38.000 0.053 0.000 1.343 689 I HN 0.785 nan 8.210 nan 0.000 0.458 690 G N 3.974 113.015 108.800 0.401 0.000 2.559 690 G HA2 0.417 4.370 3.960 -0.012 0.000 0.291 690 G HA3 0.417 4.370 3.960 -0.012 0.000 0.291 690 G C -0.919 173.936 174.900 -0.074 0.000 1.424 690 G CA -0.354 44.904 45.100 0.262 0.000 0.786 690 G HN 0.595 nan 8.290 nan 0.000 0.485 691 T N -1.424 112.943 114.554 -0.310 0.000 2.874 691 T HA 0.514 4.857 4.350 -0.012 0.000 0.281 691 T C 0.741 175.327 174.700 -0.190 0.000 0.994 691 T CA -0.649 61.185 62.100 -0.443 0.000 1.015 691 T CB 1.100 69.715 68.868 -0.421 0.000 1.028 691 T HN 0.271 nan 8.240 nan 0.000 0.523 692 M N 2.901 122.399 119.600 -0.169 0.000 3.436 692 M HA 0.319 4.792 4.480 -0.012 0.000 0.240 692 M C -0.428 175.819 176.300 -0.087 0.000 1.469 692 M CA -0.044 55.194 55.300 -0.104 0.000 1.622 692 M CB -1.745 30.801 32.600 -0.089 0.000 1.098 692 M HN 0.733 nan 8.290 nan 0.000 0.568 693 D N -0.073 120.281 120.400 -0.076 0.000 2.601 693 D HA 0.684 5.317 4.640 -0.012 0.000 0.230 693 D C 0.772 177.048 176.300 -0.040 0.000 1.106 693 D CA 0.711 54.679 54.000 -0.054 0.000 0.873 693 D CB 1.756 42.525 40.800 -0.051 0.000 1.515 693 D HN 0.589 nan 8.370 nan 0.000 0.468 694 G N 1.577 110.361 108.800 -0.027 0.000 2.652 694 G HA2 -0.278 3.675 3.960 -0.012 0.000 0.318 694 G HA3 -0.278 3.675 3.960 -0.012 0.000 0.318 694 G C 1.035 175.923 174.900 -0.019 0.000 1.295 694 G CA 1.312 46.400 45.100 -0.020 0.000 0.999 694 G HN 1.044 nan 8.290 nan 0.000 0.548 695 A N -0.355 122.447 122.820 -0.030 0.000 2.167 695 A HA 0.121 4.434 4.320 -0.012 0.000 0.214 695 A C 2.107 179.618 177.584 -0.121 0.000 1.151 695 A CA 1.745 53.753 52.037 -0.048 0.000 0.735 695 A CB -0.414 18.542 19.000 -0.073 0.000 0.802 695 A HN 0.610 nan 8.150 nan 0.000 0.467 696 N N 0.614 119.256 118.700 -0.097 0.000 2.137 696 N HA -0.162 4.571 4.740 -0.012 0.000 0.190 696 N C 1.607 176.999 175.510 -0.196 0.000 1.017 696 N CA 1.642 54.634 53.050 -0.096 0.000 0.859 696 N CB -0.606 37.873 38.487 -0.013 0.000 1.002 696 N HN 0.298 nan 8.380 nan 0.000 0.428 697 V N 1.271 121.107 119.914 -0.130 0.000 2.295 697 V HA -0.212 3.901 4.120 -0.012 0.000 0.246 697 V C 1.959 177.976 176.094 -0.128 0.000 1.049 697 V CA 1.701 63.924 62.300 -0.129 0.000 1.024 697 V CB -0.504 31.277 31.823 -0.070 0.000 0.648 697 V HN 0.356 nan 8.190 nan 0.000 0.447 698 E N -0.622 119.553 120.200 -0.041 0.000 2.208 698 E HA -0.134 4.209 4.350 -0.012 0.000 0.193 698 E C 2.181 178.874 176.600 0.155 0.000 0.988 698 E CA 1.023 57.472 56.400 0.082 0.000 0.828 698 E CB -0.172 29.663 29.700 0.226 0.000 0.763 698 E HN 0.551 nan 8.360 nan 0.000 0.478 699 M N 0.404 119.960 119.600 -0.074 0.000 2.099 699 M HA -0.105 4.368 4.480 -0.012 0.000 0.262 699 M C 2.490 178.488 176.300 -0.503 0.000 1.067 699 M CA 1.497 56.676 55.300 -0.201 0.000 1.124 699 M CB -0.144 32.215 32.600 -0.401 0.000 1.353 699 M HN 0.131 nan 8.290 nan 0.000 0.410 700 A N -0.220 122.007 122.820 -0.989 0.000 1.972 700 A HA -0.211 4.102 4.320 -0.012 0.000 0.219 700 A C 1.984 179.335 177.584 -0.389 0.000 1.169 700 A CA 1.898 53.307 52.037 -1.047 0.000 0.635 700 A CB -0.782 17.708 19.000 -0.850 0.000 0.810 700 A HN 0.583 nan 8.150 nan 0.000 0.446 701 E N -0.484 119.571 120.200 -0.242 0.000 2.106 701 E HA -0.190 4.153 4.350 -0.012 0.000 0.192 701 E C 1.729 178.289 176.600 -0.066 0.000 0.984 701 E CA 1.113 57.445 56.400 -0.115 0.000 0.806 701 E CB -0.022 29.637 29.700 -0.070 0.000 0.750 701 E HN 0.553 nan 8.360 nan 0.000 0.458 702 E N -0.086 120.098 120.200 -0.027 0.000 2.112 702 E HA -0.086 4.257 4.350 -0.012 0.000 0.190 702 E C 1.766 178.379 176.600 0.021 0.000 0.979 702 E CA 1.001 57.412 56.400 0.019 0.000 0.814 702 E CB -0.003 29.762 29.700 0.109 0.000 0.762 702 E HN 0.322 nan 8.360 nan 0.000 0.460 703 A N 0.386 123.216 122.820 0.016 0.000 2.081 703 A HA 0.357 4.670 4.320 -0.012 0.000 0.214 703 A C 1.026 178.620 177.584 0.018 0.000 1.158 703 A CA 1.027 53.098 52.037 0.056 0.000 0.724 703 A CB 0.105 19.208 19.000 0.171 0.000 0.826 703 A HN 0.226 nan 8.150 nan 0.000 0.463 704 G N -0.427 108.354 108.800 -0.033 0.000 3.225 704 G HA2 -0.090 3.862 3.960 -0.012 0.000 0.686 704 G HA3 -0.090 3.862 3.960 -0.012 0.000 0.686 704 G C -0.020 174.858 174.900 -0.037 0.000 1.105 704 G CA 0.012 45.092 45.100 -0.035 0.000 0.831 704 G HN 0.241 nan 8.290 nan 0.000 0.578 705 E N 0.905 121.072 120.200 -0.055 0.000 2.219 705 E HA -0.211 4.132 4.350 -0.012 0.000 0.198 705 E C 2.012 178.598 176.600 -0.023 0.000 0.998 705 E CA 1.839 58.215 56.400 -0.039 0.000 0.818 705 E CB 0.071 29.748 29.700 -0.038 0.000 0.741 705 E HN 0.773 nan 8.360 nan 0.000 0.477 706 E N 0.501 120.678 120.200 -0.038 0.000 2.409 706 E HA -0.084 4.259 4.350 -0.012 0.000 0.198 706 E C 0.839 177.359 176.600 -0.133 0.000 1.024 706 E CA 0.581 56.941 56.400 -0.067 0.000 0.861 706 E CB -0.007 29.666 29.700 -0.045 0.000 0.788 706 E HN 0.172 nan 8.360 nan 0.000 0.521 707 N N -0.311 118.334 118.700 -0.091 0.000 2.238 707 N HA 0.150 4.883 4.740 -0.012 0.000 0.222 707 N C -0.924 174.488 175.510 -0.162 0.000 1.133 707 N CA 0.073 53.035 53.050 -0.146 0.000 0.854 707 N CB 0.410 38.871 38.487 -0.042 0.000 1.041 707 N HN 0.043 nan 8.380 nan 0.000 0.510 708 F N -0.430 119.270 119.950 -0.416 0.000 2.588 708 F HA 0.429 4.948 4.527 -0.013 0.000 0.314 708 F C -0.725 174.787 175.800 -0.481 0.000 1.069 708 F CA -1.147 56.628 58.000 -0.374 0.000 0.931 708 F CB 1.316 40.218 39.000 -0.163 0.000 1.260 708 F HN -0.225 nan 8.300 nan 0.000 0.465 709 F N 4.746 124.716 119.950 0.034 0.000 2.318 709 F HA 0.384 4.904 4.527 -0.012 0.000 0.356 709 F C -0.307 175.624 175.800 0.219 0.000 1.109 709 F CA -0.668 57.380 58.000 0.080 0.000 1.234 709 F CB -0.068 38.924 39.000 -0.013 0.000 1.545 709 F HN -0.022 nan 8.300 nan 0.000 0.534 710 I N 3.824 124.595 120.570 0.334 0.000 2.396 710 I HA 0.353 4.516 4.170 -0.012 0.000 0.292 710 I C -0.050 176.250 176.117 0.305 0.000 0.999 710 I CA -0.600 60.858 61.300 0.263 0.000 1.310 710 I CB 0.540 38.618 38.000 0.130 0.000 1.404 710 I HN 0.334 nan 8.210 nan 0.000 0.496 711 F N 2.492 122.507 119.950 0.108 0.000 2.745 711 F HA 0.869 5.389 4.527 -0.012 0.000 0.316 711 F C 0.049 175.891 175.800 0.070 0.000 1.155 711 F CA -0.558 57.498 58.000 0.093 0.000 0.937 711 F CB 1.023 40.092 39.000 0.114 0.000 1.361 711 F HN 0.805 nan 8.300 nan 0.000 0.472 712 G N 0.807 109.628 108.800 0.035 0.000 2.796 712 G HA2 -0.083 3.870 3.960 -0.012 0.000 0.571 712 G HA3 -0.083 3.870 3.960 -0.012 0.000 0.571 712 G C -0.873 173.982 174.900 -0.075 0.000 1.370 712 G CA -0.552 44.501 45.100 -0.077 0.000 0.856 712 G HN 0.940 nan 8.290 nan 0.000 0.538 713 M N 0.712 120.282 119.600 -0.049 0.000 2.248 713 M HA 0.290 4.763 4.480 -0.012 0.000 0.337 713 M C 1.206 177.466 176.300 -0.066 0.000 1.121 713 M CA -0.011 55.272 55.300 -0.028 0.000 1.155 713 M CB 0.385 32.979 32.600 -0.010 0.000 1.514 713 M HN 0.523 nan 8.290 nan 0.000 0.452 714 R N 1.317 121.793 120.500 -0.040 0.000 2.549 714 R HA 0.313 4.646 4.340 -0.012 0.000 0.259 714 R C 1.218 177.497 176.300 -0.035 0.000 1.095 714 R CA -0.566 55.507 56.100 -0.046 0.000 1.148 714 R CB 0.147 30.428 30.300 -0.031 0.000 1.181 714 R HN 0.568 nan 8.270 nan 0.000 0.571 715 V N 1.283 121.176 119.914 -0.035 0.000 2.332 715 V HA -0.224 3.889 4.120 -0.012 0.000 0.248 715 V C 2.395 178.477 176.094 -0.019 0.000 1.055 715 V CA 1.828 64.111 62.300 -0.028 0.000 1.038 715 V CB -0.434 31.371 31.823 -0.030 0.000 0.651 715 V HN 0.668 nan 8.190 nan 0.000 0.450 716 E N 0.053 120.244 120.200 -0.015 0.000 2.110 716 E HA -0.245 4.098 4.350 -0.012 0.000 0.193 716 E C 1.875 178.477 176.600 0.004 0.000 0.988 716 E CA 1.434 57.830 56.400 -0.006 0.000 0.804 716 E CB -0.139 29.558 29.700 -0.005 0.000 0.745 716 E HN 0.639 nan 8.360 nan 0.000 0.458 717 D N -0.108 120.295 120.400 0.006 0.000 2.149 717 D HA -0.102 4.531 4.640 -0.012 0.000 0.201 717 D C 2.087 178.400 176.300 0.022 0.000 0.972 717 D CA 0.602 54.615 54.000 0.022 0.000 0.835 717 D CB 0.025 40.841 40.800 0.026 0.000 0.966 717 D HN 0.097 nan 8.370 nan 0.000 0.476 718 V N 1.859 121.774 119.914 0.002 0.000 2.358 718 V HA -0.199 3.914 4.120 -0.012 0.000 0.246 718 V C 1.953 178.048 176.094 0.001 0.000 1.047 718 V CA 1.581 63.876 62.300 -0.009 0.000 1.035 718 V CB -0.357 31.451 31.823 -0.024 0.000 0.658 718 V HN 0.045 nan 8.190 nan 0.000 0.452 719 D N 0.047 120.448 120.400 0.002 0.000 2.097 719 D HA -0.146 4.487 4.640 -0.012 0.000 0.195 719 D C 2.414 178.726 176.300 0.019 0.000 0.989 719 D CA 1.222 55.225 54.000 0.005 0.000 0.827 719 D CB -0.268 40.531 40.800 -0.000 0.000 0.966 719 D HN 0.389 nan 8.370 nan 0.000 0.456 720 R N 0.246 120.762 120.500 0.027 0.000 2.096 720 R HA -0.024 4.309 4.340 -0.012 0.000 0.235 720 R C 2.517 178.851 176.300 0.057 0.000 1.127 720 R CA 0.350 56.473 56.100 0.038 0.000 0.968 720 R CB -0.416 29.908 30.300 0.041 0.000 0.861 720 R HN 0.237 nan 8.270 nan 0.000 0.440 721 L N 0.883 122.148 121.223 0.070 0.000 2.141 721 L HA -0.181 4.152 4.340 -0.012 0.000 0.209 721 L C 1.511 178.444 176.870 0.105 0.000 1.094 721 L CA 1.328 56.235 54.840 0.111 0.000 0.763 721 L CB -0.214 41.922 42.059 0.128 0.000 0.908 721 L HN 0.188 nan 8.230 nan 0.000 0.437 722 D N -0.859 119.578 120.400 0.062 0.000 2.123 722 D HA -0.158 4.475 4.640 -0.012 0.000 0.200 722 D C 2.253 178.584 176.300 0.050 0.000 0.976 722 D CA 0.771 54.803 54.000 0.053 0.000 0.831 722 D CB 0.021 40.833 40.800 0.019 0.000 0.974 722 D HN 0.321 nan 8.370 nan 0.000 0.469 723 Q N 0.549 120.373 119.800 0.041 0.000 2.061 723 Q HA -0.155 4.178 4.340 -0.012 0.000 0.204 723 Q C 2.217 178.243 176.000 0.042 0.000 0.984 723 Q CA 0.983 56.807 55.803 0.035 0.000 0.846 723 Q CB -0.390 28.365 28.738 0.029 0.000 0.902 723 Q HN 0.333 nan 8.270 nan 0.000 0.421 724 R N 0.131 120.664 120.500 0.055 0.000 2.093 724 R HA 0.023 4.356 4.340 -0.012 0.000 0.224 724 R C -0.079 176.259 176.300 0.065 0.000 1.101 724 R CA 1.135 57.269 56.100 0.057 0.000 0.979 724 R CB 0.200 30.539 30.300 0.066 0.000 0.877 724 R HN 0.304 nan 8.270 nan 0.000 0.441 725 G N 0.222 109.075 108.800 0.090 0.000 3.363 725 G HA2 -0.233 3.720 3.960 -0.012 0.000 0.685 725 G HA3 -0.233 3.720 3.960 -0.012 0.000 0.685 725 G C -1.516 173.479 174.900 0.158 0.000 1.199 725 G CA -0.345 44.816 45.100 0.101 0.000 0.946 725 G HN 0.288 nan 8.290 nan 0.000 0.558 726 Y N 3.454 123.784 120.300 0.051 0.000 2.436 726 Y HA 0.531 5.074 4.550 -0.012 0.000 0.343 726 Y C 0.538 176.492 175.900 0.089 0.000 1.008 726 Y CA -0.748 57.401 58.100 0.081 0.000 1.241 726 Y CB 0.792 39.278 38.460 0.043 0.000 1.153 726 Y HN 0.570 nan 8.280 nan 0.000 0.521 727 N N 5.089 123.590 118.700 -0.331 0.000 2.626 727 N HA 0.367 5.100 4.740 -0.012 0.000 0.242 727 N C 0.426 175.705 175.510 -0.385 0.000 1.005 727 N CA 0.188 53.048 53.050 -0.318 0.000 0.905 727 N CB 0.962 39.386 38.487 -0.105 0.000 1.128 727 N HN 0.869 nan 8.380 nan 0.000 0.512 728 A N 2.761 125.219 122.820 -0.603 0.000 1.978 728 A HA -0.242 4.071 4.320 -0.012 0.000 0.220 728 A C 2.037 179.759 177.584 0.229 0.000 1.170 728 A CA 1.380 53.316 52.037 -0.169 0.000 0.636 728 A CB -0.445 18.410 19.000 -0.241 0.000 0.810 728 A HN 0.768 nan 8.150 nan 0.000 0.448 729 Q N 0.235 120.063 119.800 0.048 0.000 2.112 729 Q HA -0.256 4.077 4.340 -0.012 0.000 0.206 729 Q C 1.908 177.986 176.000 0.130 0.000 0.987 729 Q CA 2.449 58.294 55.803 0.070 0.000 0.858 729 Q CB -0.407 28.324 28.738 -0.012 0.000 0.905 729 Q HN 0.779 nan 8.270 nan 0.000 0.420 730 E N -1.404 118.824 120.200 0.045 0.000 2.070 730 E HA -0.254 4.089 4.350 -0.012 0.000 0.197 730 E C 1.630 178.174 176.600 -0.093 0.000 1.004 730 E CA 1.605 57.962 56.400 -0.071 0.000 0.805 730 E CB -0.266 29.302 29.700 -0.220 0.000 0.744 730 E HN 0.606 nan 8.360 nan 0.000 0.451 731 Y N -1.187 119.174 120.300 0.102 0.000 2.293 731 Y HA -0.185 4.358 4.550 -0.012 0.000 0.291 731 Y C 2.159 178.042 175.900 -0.027 0.000 1.137 731 Y CA 1.401 59.543 58.100 0.070 0.000 1.202 731 Y CB -0.587 37.961 38.460 0.148 0.000 0.990 731 Y HN 0.249 nan 8.280 nan 0.000 0.537 732 Y N 1.235 121.549 120.300 0.024 0.000 2.181 732 Y HA -0.232 4.311 4.550 -0.012 0.000 0.288 732 Y C 1.770 177.629 175.900 -0.067 0.000 1.146 732 Y CA 1.756 59.798 58.100 -0.097 0.000 1.164 732 Y CB -0.317 38.135 38.460 -0.014 0.000 0.982 732 Y HN 0.077 nan 8.280 nan 0.000 0.515 733 D N -0.323 120.186 120.400 0.182 0.000 2.224 733 D HA -0.065 4.568 4.640 -0.012 0.000 0.205 733 D C 1.892 178.177 176.300 -0.024 0.000 0.965 733 D CA 1.063 55.113 54.000 0.083 0.000 0.852 733 D CB -0.118 40.739 40.800 0.095 0.000 0.947 733 D HN 0.450 nan 8.370 nan 0.000 0.494 734 R N -0.200 120.278 120.500 -0.036 0.000 2.280 734 R HA 0.280 4.613 4.340 -0.012 0.000 0.195 734 R C 0.431 176.706 176.300 -0.041 0.000 0.935 734 R CA 0.200 56.274 56.100 -0.043 0.000 1.033 734 R CB 0.920 31.188 30.300 -0.054 0.000 0.964 734 R HN 0.101 nan 8.270 nan 0.000 0.489 735 I N 2.565 123.090 120.570 -0.074 0.000 2.464 735 I HA 0.189 4.352 4.170 -0.012 0.000 0.277 735 I C -1.693 174.326 176.117 -0.162 0.000 1.040 735 I CA -2.226 59.033 61.300 -0.069 0.000 1.153 735 I CB 2.018 40.007 38.000 -0.018 0.000 1.274 735 I HN -0.201 nan 8.210 nan 0.000 0.469 736 P HA -0.197 nan 4.420 nan 0.000 0.216 736 P C 1.053 178.256 177.300 -0.162 0.000 1.150 736 P CA 1.526 64.533 63.100 -0.155 0.000 0.843 736 P CB 0.455 32.097 31.700 -0.096 0.000 0.787 737 E N -0.767 119.374 120.200 -0.099 0.000 2.106 737 E HA -0.141 4.202 4.350 -0.012 0.000 0.192 737 E C 2.055 178.551 176.600 -0.173 0.000 0.984 737 E CA 0.558 56.914 56.400 -0.072 0.000 0.806 737 E CB -0.467 29.262 29.700 0.048 0.000 0.750 737 E HN 0.113 nan 8.360 nan 0.000 0.458 738 L N 1.196 122.230 121.223 -0.315 0.000 2.072 738 L HA -0.107 4.226 4.340 -0.012 0.000 0.205 738 L C 2.328 178.899 176.870 -0.498 0.000 1.079 738 L CA 1.590 56.072 54.840 -0.598 0.000 0.752 738 L CB -0.306 41.258 42.059 -0.825 0.000 0.906 738 L HN -0.092 nan 8.230 nan 0.000 0.436 739 R N -0.730 119.452 120.500 -0.531 0.000 2.083 739 R HA -0.248 4.085 4.340 -0.012 0.000 0.237 739 R C 2.384 178.481 176.300 -0.339 0.000 1.137 739 R CA 2.023 57.707 56.100 -0.694 0.000 0.951 739 R CB -0.389 29.452 30.300 -0.765 0.000 0.851 739 R HN 0.629 nan 8.270 nan 0.000 0.434 740 Q N 0.508 120.163 119.800 -0.242 0.000 2.061 740 Q HA -0.196 4.137 4.340 -0.012 0.000 0.204 740 Q C 2.076 178.012 176.000 -0.107 0.000 0.984 740 Q CA 2.119 57.833 55.803 -0.148 0.000 0.846 740 Q CB -0.154 28.504 28.738 -0.132 0.000 0.902 740 Q HN 0.498 nan 8.270 nan 0.000 0.421 741 I N 0.597 121.097 120.570 -0.117 0.000 2.226 741 I HA -0.282 3.881 4.170 -0.012 0.000 0.245 741 I C 2.164 178.287 176.117 0.010 0.000 1.100 741 I CA 0.676 61.946 61.300 -0.052 0.000 1.374 741 I CB -0.343 37.603 38.000 -0.090 0.000 1.057 741 I HN 0.319 nan 8.210 nan 0.000 0.413 742 I N 0.890 121.462 120.570 0.003 0.000 2.286 742 I HA -0.231 3.932 4.170 -0.012 0.000 0.248 742 I C 2.434 178.643 176.117 0.154 0.000 1.115 742 I CA 1.663 63.040 61.300 0.128 0.000 1.392 742 I CB -1.191 36.970 38.000 0.269 0.000 1.065 742 I HN 0.355 nan 8.210 nan 0.000 0.418 743 E N 0.305 120.571 120.200 0.110 0.000 2.150 743 E HA -0.211 4.132 4.350 -0.012 0.000 0.193 743 E C 2.124 178.788 176.600 0.106 0.000 0.985 743 E CA 0.756 57.223 56.400 0.111 0.000 0.814 743 E CB -0.088 29.650 29.700 0.063 0.000 0.752 743 E HN 0.597 nan 8.360 nan 0.000 0.466 744 Q N 0.460 120.308 119.800 0.079 0.000 2.119 744 Q HA -0.095 4.237 4.340 -0.012 0.000 0.201 744 Q C 2.323 178.492 176.000 0.282 0.000 0.972 744 Q CA 0.875 56.739 55.803 0.101 0.000 0.847 744 Q CB -0.014 28.690 28.738 -0.057 0.000 0.903 744 Q HN 0.298 nan 8.270 nan 0.000 0.433 745 L N -0.008 121.388 121.223 0.289 0.000 2.056 745 L HA -0.173 4.160 4.340 -0.012 0.000 0.207 745 L C 2.404 179.455 176.870 0.302 0.000 1.078 745 L CA 0.929 55.967 54.840 0.329 0.000 0.749 745 L CB -0.306 41.870 42.059 0.195 0.000 0.901 745 L HN 0.136 nan 8.230 nan 0.000 0.433 746 S N -0.334 115.500 115.700 0.224 0.000 2.371 746 S HA -0.142 4.321 4.470 -0.012 0.000 0.224 746 S C 2.119 176.819 174.600 0.167 0.000 1.029 746 S CA 1.439 59.750 58.200 0.186 0.000 0.978 746 S CB -0.206 63.086 63.200 0.154 0.000 0.833 746 S HN 0.595 nan 8.310 nan 0.000 0.466 747 S N 0.695 116.494 115.700 0.164 0.000 2.481 747 S HA 0.245 4.708 4.470 -0.012 0.000 0.231 747 S C 1.434 176.120 174.600 0.143 0.000 0.996 747 S CA 0.775 59.058 58.200 0.138 0.000 0.942 747 S CB -0.316 62.961 63.200 0.128 0.000 0.768 747 S HN 0.876 nan 8.310 nan 0.000 0.520 748 G N 0.560 109.478 108.800 0.197 0.000 2.140 748 G HA2 -0.255 3.698 3.960 -0.012 0.000 0.211 748 G HA3 -0.255 3.698 3.960 -0.012 0.000 0.211 748 G C 0.073 175.061 174.900 0.146 0.000 1.013 748 G CA 0.092 45.298 45.100 0.177 0.000 0.705 748 G HN 0.515 nan 8.290 nan 0.000 0.508 749 F N 0.093 120.042 119.950 -0.001 0.000 2.234 749 F HA 0.297 4.817 4.527 -0.012 0.000 0.299 749 F C 1.711 177.283 175.800 -0.379 0.000 1.087 749 F CA 1.402 59.268 58.000 -0.223 0.000 1.340 749 F CB 0.023 38.813 39.000 -0.351 0.000 1.031 749 F HN 0.168 nan 8.300 nan 0.000 0.500 750 F N -0.171 119.943 119.950 0.274 0.000 2.641 750 F HA 0.234 4.754 4.527 -0.012 0.000 0.302 750 F C 0.462 176.381 175.800 0.198 0.000 1.098 750 F CA 0.116 58.230 58.000 0.189 0.000 1.318 750 F CB -0.095 39.019 39.000 0.189 0.000 1.035 750 F HN -0.021 nan 8.300 nan 0.000 0.551 751 S N -2.223 113.615 115.700 0.229 0.000 2.708 751 S HA 0.274 4.737 4.470 -0.012 0.000 0.141 751 S C -2.503 172.113 174.600 0.026 0.000 1.349 751 S CA -0.896 57.370 58.200 0.111 0.000 1.206 751 S CB 0.702 63.935 63.200 0.056 0.000 1.603 751 S HN -0.167 nan 8.310 nan 0.000 0.415 752 P HA -0.125 nan 4.420 nan 0.000 0.215 752 P C 1.057 178.340 177.300 -0.029 0.000 1.157 752 P CA 1.463 64.532 63.100 -0.052 0.000 0.874 752 P CB 0.044 31.686 31.700 -0.097 0.000 0.790 753 K N -1.290 119.094 120.400 -0.026 0.000 2.432 753 K HA -0.001 4.312 4.320 -0.012 0.000 0.196 753 K C 0.725 177.318 176.600 -0.012 0.000 1.038 753 K CA 0.723 56.999 56.287 -0.018 0.000 0.986 753 K CB 0.026 32.516 32.500 -0.016 0.000 0.782 753 K HN 0.274 nan 8.250 nan 0.000 0.485 754 Q N -0.420 119.371 119.800 -0.014 0.000 3.300 754 Q HA 0.136 4.469 4.340 -0.012 0.000 0.271 754 Q C -2.353 173.637 176.000 -0.016 0.000 0.926 754 Q CA -1.504 54.286 55.803 -0.021 0.000 0.788 754 Q CB 1.547 30.262 28.738 -0.038 0.000 1.385 754 Q HN -0.091 nan 8.270 nan 0.000 0.424 755 P HA -0.242 nan 4.420 nan 0.000 0.218 755 P C 0.619 177.955 177.300 0.060 0.000 1.152 755 P CA 1.630 64.756 63.100 0.043 0.000 0.857 755 P CB 0.217 31.939 31.700 0.038 0.000 0.787 756 D N -1.795 118.624 120.400 0.032 0.000 2.402 756 D HA 0.003 4.636 4.640 -0.012 0.000 0.216 756 D C 1.545 177.845 176.300 0.000 0.000 1.128 756 D CA -0.285 53.743 54.000 0.046 0.000 0.833 756 D CB -0.859 39.969 40.800 0.047 0.000 0.971 756 D HN 0.014 nan 8.370 nan 0.000 0.503 757 L N 0.010 121.168 121.223 -0.108 0.000 2.051 757 L HA -0.090 4.243 4.340 -0.012 0.000 0.214 757 L C 1.024 177.679 176.870 -0.359 0.000 1.076 757 L CA 1.719 56.378 54.840 -0.301 0.000 0.758 757 L CB -0.650 41.054 42.059 -0.592 0.000 0.890 757 L HN 0.014 nan 8.230 nan 0.000 0.433 758 F N -0.404 119.603 119.950 0.095 0.000 2.730 758 F HA 0.150 4.670 4.527 -0.012 0.000 0.295 758 F C 1.806 177.661 175.800 0.092 0.000 1.143 758 F CA -0.170 57.877 58.000 0.079 0.000 1.367 758 F CB -0.344 38.691 39.000 0.059 0.000 0.970 758 F HN 0.125 nan 8.300 nan 0.000 0.514 759 K N -0.482 120.037 120.400 0.200 0.000 2.148 759 K HA -0.150 4.163 4.320 -0.012 0.000 0.204 759 K C 0.904 177.610 176.600 0.177 0.000 1.050 759 K CA 1.706 58.096 56.287 0.172 0.000 0.942 759 K CB -0.170 32.406 32.500 0.125 0.000 0.724 759 K HN 0.116 nan 8.250 nan 0.000 0.446 760 D N 1.449 121.964 120.400 0.191 0.000 2.144 760 D HA -0.091 4.542 4.640 -0.012 0.000 0.200 760 D C 2.057 178.467 176.300 0.185 0.000 0.978 760 D CA 0.915 55.034 54.000 0.198 0.000 0.833 760 D CB 0.014 40.968 40.800 0.258 0.000 0.961 760 D HN 0.196 nan 8.370 nan 0.000 0.470 761 I N 0.953 121.637 120.570 0.190 0.000 2.142 761 I HA -0.189 3.974 4.170 -0.012 0.000 0.240 761 I C 2.638 178.821 176.117 0.110 0.000 1.078 761 I CA 0.713 62.094 61.300 0.136 0.000 1.343 761 I CB -1.291 36.779 38.000 0.118 0.000 1.046 761 I HN -0.087 nan 8.210 nan 0.000 0.405 762 V N 1.567 121.562 119.914 0.135 0.000 2.332 762 V HA -0.283 3.830 4.120 -0.012 0.000 0.248 762 V C 2.453 178.583 176.094 0.060 0.000 1.055 762 V CA 2.092 64.458 62.300 0.110 0.000 1.038 762 V CB -0.953 30.953 31.823 0.138 0.000 0.651 762 V HN 0.518 nan 8.190 nan 0.000 0.450 763 N N -0.243 118.526 118.700 0.115 0.000 2.120 763 N HA -0.207 4.526 4.740 -0.012 0.000 0.188 763 N C 1.949 177.558 175.510 0.165 0.000 1.024 763 N CA 1.773 54.922 53.050 0.164 0.000 0.852 763 N CB -0.120 38.516 38.487 0.248 0.000 1.003 763 N HN 0.380 nan 8.380 nan 0.000 0.424 764 M N 0.810 120.512 119.600 0.169 0.000 2.099 764 M HA -0.119 4.354 4.480 -0.012 0.000 0.262 764 M C 1.834 178.144 176.300 0.018 0.000 1.067 764 M CA 0.958 56.367 55.300 0.182 0.000 1.124 764 M CB -0.720 31.975 32.600 0.159 0.000 1.353 764 M HN 0.098 nan 8.290 nan 0.000 0.410 765 L N 0.536 121.713 121.223 -0.077 0.000 2.042 765 L HA -0.243 4.090 4.340 -0.012 0.000 0.210 765 L C 2.478 179.080 176.870 -0.446 0.000 1.076 765 L CA 1.595 56.250 54.840 -0.307 0.000 0.749 765 L CB -1.374 40.503 42.059 -0.303 0.000 0.893 765 L HN 0.389 nan 8.230 nan 0.000 0.432 766 M N -1.653 117.736 119.600 -0.352 0.000 2.236 766 M HA -0.085 4.388 4.480 -0.012 0.000 0.266 766 M C 1.946 177.837 176.300 -0.681 0.000 1.070 766 M CA 1.430 56.416 55.300 -0.523 0.000 1.137 766 M CB -0.744 31.430 32.600 -0.710 0.000 1.378 766 M HN 0.336 nan 8.290 nan 0.000 0.426 767 H N -2.486 116.453 119.070 -0.218 0.000 2.926 767 H HA 0.219 4.768 4.556 -0.012 0.000 0.249 767 H C 0.221 175.168 175.328 -0.636 0.000 0.963 767 H CA 0.544 56.310 56.048 -0.471 0.000 1.158 767 H CB 0.214 29.575 29.762 -0.669 0.000 1.445 767 H HN 0.491 nan 8.280 nan 0.000 0.452 768 H N 0.293 119.420 119.070 0.095 0.000 2.587 768 H HA 0.181 4.730 4.556 -0.012 0.000 0.245 768 H C -0.658 174.688 175.328 0.031 0.000 1.238 768 H CA -0.407 55.684 56.048 0.070 0.000 0.963 768 H CB 0.635 30.444 29.762 0.077 0.000 1.904 768 H HN -0.006 nan 8.280 nan 0.000 0.584 769 D N 1.178 121.630 120.400 0.086 0.000 2.422 769 D HA 0.084 4.717 4.640 -0.012 0.000 0.227 769 D C 0.934 177.178 176.300 -0.094 0.000 1.190 769 D CA -0.207 53.809 54.000 0.027 0.000 0.905 769 D CB 0.544 41.349 40.800 0.007 0.000 1.034 769 D HN 0.346 nan 8.370 nan 0.000 0.507 770 R N 2.269 122.600 120.500 -0.282 0.000 2.237 770 R HA -0.035 4.298 4.340 -0.012 0.000 0.219 770 R C 0.614 176.398 176.300 -0.861 0.000 1.080 770 R CA 0.809 56.538 56.100 -0.618 0.000 0.995 770 R CB 0.123 29.864 30.300 -0.933 0.000 0.875 770 R HN 0.393 nan 8.270 nan 0.000 0.462 771 F N 0.535 120.442 119.950 -0.071 0.000 2.639 771 F HA 0.261 4.781 4.527 -0.012 0.000 0.302 771 F C 0.037 175.702 175.800 -0.224 0.000 1.097 771 F CA -0.755 57.182 58.000 -0.104 0.000 1.294 771 F CB 0.107 39.102 39.000 -0.009 0.000 1.027 771 F HN -0.249 nan 8.300 nan 0.000 0.550 772 K N -0.284 119.903 120.400 -0.355 0.000 3.278 772 K HA -0.184 4.129 4.320 -0.012 0.000 0.270 772 K C 0.992 177.452 176.600 -0.233 0.000 0.955 772 K CA 0.189 56.080 56.287 -0.659 0.000 0.723 772 K CB -1.808 30.202 32.500 -0.818 0.000 1.382 772 K HN 0.214 nan 8.250 nan 0.000 0.461 773 V N 0.045 119.904 119.914 -0.092 0.000 2.287 773 V HA -0.288 3.825 4.120 -0.012 0.000 0.248 773 V C 1.967 178.182 176.094 0.202 0.000 1.053 773 V CA 2.272 64.596 62.300 0.040 0.000 1.027 773 V CB -0.513 31.331 31.823 0.036 0.000 0.646 773 V HN 0.524 nan 8.190 nan 0.000 0.447 774 F N 0.272 120.224 119.950 0.004 0.000 2.216 774 F HA -0.188 4.331 4.527 -0.012 0.000 0.300 774 F C 2.529 178.130 175.800 -0.332 0.000 1.085 774 F CA 0.622 58.571 58.000 -0.084 0.000 1.326 774 F CB -0.393 38.563 39.000 -0.075 0.000 1.027 774 F HN 0.202 nan 8.300 nan 0.000 0.497 775 A N -0.497 122.166 122.820 -0.263 0.000 2.024 775 A HA -0.202 4.111 4.320 -0.012 0.000 0.220 775 A C 1.416 179.002 177.584 0.003 0.000 1.164 775 A CA 1.930 53.743 52.037 -0.374 0.000 0.643 775 A CB -0.438 18.454 19.000 -0.180 0.000 0.806 775 A HN 0.245 nan 8.150 nan 0.000 0.451 776 D N -3.059 117.401 120.400 0.101 0.000 2.398 776 D HA 0.106 4.738 4.640 -0.012 0.000 0.210 776 D C 1.104 177.582 176.300 0.297 0.000 1.094 776 D CA -0.120 54.012 54.000 0.220 0.000 0.839 776 D CB -0.110 40.822 40.800 0.221 0.000 0.963 776 D HN 0.571 nan 8.370 nan 0.000 0.506 777 Y N 2.030 122.427 120.300 0.161 0.000 2.070 777 Y HA -0.238 4.305 4.550 -0.011 0.000 0.280 777 Y C 2.195 178.195 175.900 0.166 0.000 1.148 777 Y CA 1.992 60.199 58.100 0.178 0.000 1.125 777 Y CB 0.178 38.712 38.460 0.123 0.000 0.975 777 Y HN -0.108 nan 8.280 nan 0.000 0.492 778 E N -0.049 120.236 120.200 0.143 0.000 2.049 778 E HA -0.262 4.081 4.350 -0.012 0.000 0.198 778 E C 2.182 178.763 176.600 -0.032 0.000 1.007 778 E CA 1.748 58.156 56.400 0.013 0.000 0.809 778 E CB -0.157 29.648 29.700 0.174 0.000 0.749 778 E HN 0.613 nan 8.360 nan 0.000 0.450 779 E N -0.501 119.758 120.200 0.099 0.000 2.153 779 E HA -0.205 4.138 4.350 -0.012 0.000 0.194 779 E C 1.897 178.510 176.600 0.021 0.000 0.988 779 E CA 0.745 57.222 56.400 0.129 0.000 0.811 779 E CB -0.137 29.730 29.700 0.277 0.000 0.746 779 E HN 0.333 nan 8.360 nan 0.000 0.466 780 Y N 1.318 121.465 120.300 -0.255 0.000 2.163 780 Y HA -0.205 4.338 4.550 -0.012 0.000 0.288 780 Y C 2.144 177.678 175.900 -0.609 0.000 1.136 780 Y CA 0.920 58.544 58.100 -0.793 0.000 1.147 780 Y CB -0.426 37.636 38.460 -0.663 0.000 0.987 780 Y HN -0.218 nan 8.280 nan 0.000 0.509 781 V N 0.761 120.356 119.914 -0.532 0.000 2.343 781 V HA -0.311 3.802 4.120 -0.012 0.000 0.247 781 V C 2.307 178.189 176.094 -0.353 0.000 1.051 781 V CA 2.312 64.316 62.300 -0.494 0.000 1.036 781 V CB -0.570 30.970 31.823 -0.473 0.000 0.654 781 V HN 0.325 nan 8.190 nan 0.000 0.451 782 K N -0.918 119.333 120.400 -0.248 0.000 2.026 782 K HA -0.214 4.099 4.320 -0.012 0.000 0.208 782 K C 2.302 178.802 176.600 -0.165 0.000 1.048 782 K CA 1.736 57.933 56.287 -0.149 0.000 0.929 782 K CB -0.617 31.845 32.500 -0.064 0.000 0.713 782 K HN 0.515 nan 8.250 nan 0.000 0.439 783 C N 1.552 120.729 119.300 -0.205 0.000 2.425 783 C HA -0.098 4.355 4.460 -0.012 0.000 0.277 783 C C 2.660 177.439 174.990 -0.350 0.000 1.280 783 C CA 0.837 59.747 59.018 -0.179 0.000 1.744 783 C CB -0.669 26.990 27.740 -0.135 0.000 1.989 783 C HN 0.425 nan 8.230 nan 0.000 0.491 784 Q N 0.394 119.864 119.800 -0.549 0.000 2.170 784 Q HA -0.153 4.180 4.340 -0.012 0.000 0.203 784 Q C 2.018 177.806 176.000 -0.352 0.000 0.976 784 Q CA 1.533 56.968 55.803 -0.613 0.000 0.858 784 Q CB -0.368 27.771 28.738 -0.999 0.000 0.907 784 Q HN 0.766 nan 8.270 nan 0.000 0.433 785 E N 0.156 120.211 120.200 -0.242 0.000 2.106 785 E HA -0.121 4.222 4.350 -0.012 0.000 0.192 785 E C 2.011 178.546 176.600 -0.108 0.000 0.984 785 E CA 0.479 56.796 56.400 -0.137 0.000 0.806 785 E CB -0.028 29.615 29.700 -0.095 0.000 0.750 785 E HN 0.267 nan 8.360 nan 0.000 0.458 786 R N 0.727 121.156 120.500 -0.118 0.000 2.148 786 R HA -0.076 4.257 4.340 -0.012 0.000 0.223 786 R C 2.674 178.914 176.300 -0.101 0.000 1.088 786 R CA 1.215 57.293 56.100 -0.037 0.000 0.985 786 R CB -0.359 29.979 30.300 0.065 0.000 0.880 786 R HN 0.190 nan 8.270 nan 0.000 0.451 787 V N -2.064 117.611 119.914 -0.398 0.000 2.548 787 V HA -0.094 4.019 4.120 -0.012 0.000 0.249 787 V C 1.941 178.019 176.094 -0.026 0.000 1.055 787 V CA 1.701 63.710 62.300 -0.486 0.000 1.065 787 V CB -0.105 31.267 31.823 -0.751 0.000 0.681 787 V HN 0.049 nan 8.190 nan 0.000 0.462 788 S N 1.017 116.663 115.700 -0.090 0.000 2.368 788 S HA -0.006 4.457 4.470 -0.012 0.000 0.225 788 S C 2.264 176.911 174.600 0.079 0.000 1.030 788 S CA 1.637 59.821 58.200 -0.026 0.000 0.999 788 S CB -0.598 62.560 63.200 -0.070 0.000 0.844 788 S HN 0.941 nan 8.310 nan 0.000 0.459 789 A N 1.106 123.971 122.820 0.076 0.000 1.933 789 A HA 0.030 4.343 4.320 -0.012 0.000 0.218 789 A C 2.082 179.769 177.584 0.172 0.000 1.175 789 A CA 1.005 53.108 52.037 0.111 0.000 0.628 789 A CB -0.605 18.449 19.000 0.090 0.000 0.814 789 A HN 0.476 nan 8.150 nan 0.000 0.444 790 L N -2.128 119.250 121.223 0.259 0.000 2.156 790 L HA -0.116 4.217 4.340 -0.012 0.000 0.208 790 L C 2.426 179.567 176.870 0.452 0.000 1.095 790 L CA 1.458 56.531 54.840 0.388 0.000 0.770 790 L CB -0.329 42.060 42.059 0.551 0.000 0.914 790 L HN 0.575 nan 8.230 nan 0.000 0.439 791 Y N 1.007 121.428 120.300 0.201 0.000 2.352 791 Y HA -0.232 4.312 4.550 -0.011 0.000 0.292 791 Y C 2.313 178.148 175.900 -0.109 0.000 1.136 791 Y CA 1.467 59.440 58.100 -0.211 0.000 1.227 791 Y CB -0.066 38.070 38.460 -0.540 0.000 0.991 791 Y HN 0.073 nan 8.280 nan 0.000 0.545 792 K N -0.237 120.195 120.400 0.053 0.000 2.442 792 K HA -0.112 4.201 4.320 -0.012 0.000 0.198 792 K C 0.430 177.011 176.600 -0.032 0.000 1.042 792 K CA 0.674 56.974 56.287 0.021 0.000 0.958 792 K CB -0.063 32.498 32.500 0.101 0.000 0.766 792 K HN 0.057 nan 8.250 nan 0.000 0.474 793 N N 0.664 119.363 118.700 -0.001 0.000 2.976 793 N HA 0.134 4.867 4.740 -0.012 0.000 0.255 793 N C -2.426 173.088 175.510 0.007 0.000 1.312 793 N CA -2.152 50.905 53.050 0.012 0.000 0.897 793 N CB 1.081 39.608 38.487 0.067 0.000 1.184 793 N HN -0.196 nan 8.380 nan 0.000 0.497 794 P HA -0.255 nan 4.420 nan 0.000 0.219 794 P C 1.434 178.746 177.300 0.020 0.000 1.161 794 P CA 1.442 64.470 63.100 -0.121 0.000 0.909 794 P CB 0.307 31.911 31.700 -0.159 0.000 0.793 795 R N -0.147 120.364 120.500 0.018 0.000 2.083 795 R HA -0.184 4.149 4.340 -0.012 0.000 0.237 795 R C 2.006 178.350 176.300 0.073 0.000 1.137 795 R CA 1.638 57.761 56.100 0.039 0.000 0.951 795 R CB -0.477 29.837 30.300 0.024 0.000 0.851 795 R HN 0.125 nan 8.270 nan 0.000 0.434 796 E N -0.065 120.189 120.200 0.090 0.000 2.152 796 E HA -0.215 4.127 4.350 -0.012 0.000 0.192 796 E C 1.641 178.322 176.600 0.135 0.000 0.983 796 E CA 0.705 57.163 56.400 0.096 0.000 0.818 796 E CB -0.466 29.289 29.700 0.093 0.000 0.758 796 E HN 0.543 nan 8.360 nan 0.000 0.467 797 W N 2.244 123.549 121.300 0.008 0.000 2.358 797 W HA -0.154 4.498 4.660 -0.013 0.000 0.303 797 W C 1.534 178.065 176.519 0.020 0.000 1.208 797 W CA 1.955 59.323 57.345 0.038 0.000 1.274 797 W CB -0.427 29.044 29.460 0.018 0.000 1.138 797 W HN 0.005 nan 8.180 nan 0.000 0.515 798 T N 1.300 116.007 114.554 0.256 0.000 2.821 798 T HA -0.145 4.198 4.350 -0.012 0.000 0.267 798 T C 1.866 176.574 174.700 0.014 0.000 1.046 798 T CA 1.576 63.753 62.100 0.128 0.000 1.139 798 T CB -0.248 68.676 68.868 0.093 0.000 0.871 798 T HN 0.171 nan 8.240 nan 0.000 0.454 799 R N 0.456 120.969 120.500 0.023 0.000 2.092 799 R HA 0.114 4.447 4.340 -0.012 0.000 0.231 799 R C 2.471 178.757 176.300 -0.024 0.000 1.119 799 R CA 1.096 57.206 56.100 0.017 0.000 0.970 799 R CB -0.317 30.002 30.300 0.031 0.000 0.864 799 R HN 0.367 nan 8.270 nan 0.000 0.440 800 M N 0.472 120.021 119.600 -0.085 0.000 2.254 800 M HA -0.115 4.358 4.480 -0.012 0.000 0.265 800 M C 1.861 178.060 176.300 -0.169 0.000 1.066 800 M CA 1.263 56.473 55.300 -0.149 0.000 1.123 800 M CB 0.241 32.691 32.600 -0.249 0.000 1.388 800 M HN -0.028 nan 8.290 nan 0.000 0.425 801 V N 0.869 120.667 119.914 -0.194 0.000 2.295 801 V HA -0.298 3.815 4.120 -0.012 0.000 0.246 801 V C 2.217 178.281 176.094 -0.050 0.000 1.049 801 V CA 1.921 64.135 62.300 -0.144 0.000 1.024 801 V CB -0.554 31.212 31.823 -0.095 0.000 0.648 801 V HN 0.505 nan 8.190 nan 0.000 0.447 802 I N -0.515 120.043 120.570 -0.019 0.000 2.264 802 I HA -0.279 3.884 4.170 -0.012 0.000 0.248 802 I C 2.684 178.843 176.117 0.070 0.000 1.111 802 I CA 1.516 62.847 61.300 0.052 0.000 1.382 802 I CB -0.350 37.721 38.000 0.120 0.000 1.060 802 I HN 0.197 nan 8.210 nan 0.000 0.418 803 R N 0.896 121.416 120.500 0.034 0.000 2.115 803 R HA -0.085 4.248 4.340 -0.012 0.000 0.230 803 R C 2.051 178.381 176.300 0.050 0.000 1.111 803 R CA 1.227 57.349 56.100 0.037 0.000 0.976 803 R CB -0.159 30.146 30.300 0.008 0.000 0.870 803 R HN 0.440 nan 8.270 nan 0.000 0.445 804 N N -0.243 118.479 118.700 0.035 0.000 2.173 804 N HA -0.084 4.649 4.740 -0.012 0.000 0.184 804 N C 1.759 177.329 175.510 0.099 0.000 1.025 804 N CA 1.355 54.454 53.050 0.081 0.000 0.852 804 N CB 0.005 38.508 38.487 0.027 0.000 0.998 804 N HN 0.155 nan 8.380 nan 0.000 0.427 805 I N 1.690 122.302 120.570 0.071 0.000 2.163 805 I HA -0.246 3.917 4.170 -0.012 0.000 0.243 805 I C 2.473 178.638 176.117 0.080 0.000 1.085 805 I CA 0.915 62.262 61.300 0.077 0.000 1.347 805 I CB -0.352 37.682 38.000 0.057 0.000 1.044 805 I HN 0.093 nan 8.210 nan 0.000 0.408 806 A N 0.304 123.173 122.820 0.081 0.000 2.070 806 A HA -0.177 4.136 4.320 -0.012 0.000 0.220 806 A C 2.027 179.648 177.584 0.062 0.000 1.159 806 A CA 2.123 54.202 52.037 0.069 0.000 0.656 806 A CB -0.878 18.171 19.000 0.081 0.000 0.800 806 A HN 0.551 nan 8.150 nan 0.000 0.453 807 T N -3.100 111.504 114.554 0.083 0.000 3.215 807 T HA 0.230 4.572 4.350 -0.012 0.000 0.271 807 T C 1.009 175.790 174.700 0.134 0.000 1.012 807 T CA 0.575 62.724 62.100 0.082 0.000 0.899 807 T CB -0.137 68.780 68.868 0.080 0.000 1.089 807 T HN 0.482 nan 8.240 nan 0.000 0.552 808 S N -0.126 115.672 115.700 0.164 0.000 2.575 808 S HA 0.284 4.747 4.470 -0.012 0.000 0.215 808 S C 2.197 176.906 174.600 0.181 0.000 0.966 808 S CA 0.246 58.617 58.200 0.287 0.000 0.911 808 S CB -0.503 62.858 63.200 0.269 0.000 0.780 808 S HN 0.504 nan 8.310 nan 0.000 0.514 809 G N 2.713 111.549 108.800 0.060 0.000 2.475 809 G HA2 -0.293 3.660 3.960 -0.012 0.000 0.220 809 G HA3 -0.293 3.660 3.960 -0.012 0.000 0.220 809 G C 1.328 176.171 174.900 -0.094 0.000 1.125 809 G CA 1.054 46.161 45.100 0.011 0.000 0.755 809 G HN 0.610 nan 8.290 nan 0.000 0.565 810 K N -0.104 120.119 120.400 -0.295 0.000 2.280 810 K HA -0.019 4.294 4.320 -0.012 0.000 0.202 810 K C 1.092 177.349 176.600 -0.572 0.000 1.047 810 K CA 0.632 56.611 56.287 -0.514 0.000 0.942 810 K CB -0.255 31.769 32.500 -0.793 0.000 0.739 810 K HN 0.409 nan 8.250 nan 0.000 0.457 811 F N 1.023 121.001 119.950 0.048 0.000 2.663 811 F HA 0.132 4.651 4.527 -0.013 0.000 0.299 811 F C 0.724 176.570 175.800 0.076 0.000 1.143 811 F CA -0.596 57.439 58.000 0.059 0.000 1.387 811 F CB 0.383 39.415 39.000 0.052 0.000 1.019 811 F HN -0.119 nan 8.300 nan 0.000 0.523 812 S N 0.266 116.043 115.700 0.129 0.000 2.545 812 S HA 0.102 4.565 4.470 -0.012 0.000 0.275 812 S C 1.392 176.075 174.600 0.137 0.000 1.299 812 S CA -0.299 57.978 58.200 0.129 0.000 1.048 812 S CB 0.887 64.132 63.200 0.076 0.000 0.938 812 S HN 0.340 nan 8.310 nan 0.000 0.496 813 S N 3.200 119.007 115.700 0.178 0.000 2.547 813 S HA -0.064 4.399 4.470 -0.012 0.000 0.235 813 S C 0.877 175.535 174.600 0.097 0.000 0.980 813 S CA 0.597 58.925 58.200 0.213 0.000 0.941 813 S CB -0.300 63.099 63.200 0.332 0.000 0.763 813 S HN 0.783 nan 8.310 nan 0.000 0.532 814 D N 1.878 122.318 120.400 0.067 0.000 2.149 814 D HA -0.057 4.576 4.640 -0.012 0.000 0.201 814 D C 2.125 178.431 176.300 0.010 0.000 0.972 814 D CA 0.683 54.700 54.000 0.027 0.000 0.835 814 D CB -0.305 40.509 40.800 0.022 0.000 0.966 814 D HN 0.289 nan 8.370 nan 0.000 0.476 815 R N 0.957 121.465 120.500 0.013 0.000 2.066 815 R HA -0.085 4.248 4.340 -0.012 0.000 0.232 815 R C 1.859 178.153 176.300 -0.011 0.000 1.131 815 R CA 1.383 57.477 56.100 -0.011 0.000 0.955 815 R CB -0.829 29.451 30.300 -0.033 0.000 0.851 815 R HN 0.099 nan 8.270 nan 0.000 0.432 816 T N 2.296 116.867 114.554 0.029 0.000 2.684 816 T HA -0.127 4.216 4.350 -0.012 0.000 0.267 816 T C 1.930 176.639 174.700 0.016 0.000 1.036 816 T CA 1.461 63.599 62.100 0.062 0.000 1.148 816 T CB -0.131 68.857 68.868 0.200 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.436 817 I N 1.643 122.150 120.570 -0.104 0.000 2.315 817 I HA -0.079 4.084 4.170 -0.012 0.000 0.248 817 I C 2.901 178.980 176.117 -0.063 0.000 1.117 817 I CA 0.928 62.128 61.300 -0.168 0.000 1.404 817 I CB -1.619 36.275 38.000 -0.175 0.000 1.071 817 I HN 0.198 nan 8.210 nan 0.000 0.419 818 A N 0.131 122.930 122.820 -0.035 0.000 1.972 818 A HA -0.216 4.096 4.320 -0.012 0.000 0.219 818 A C 2.239 179.787 177.584 -0.060 0.000 1.169 818 A CA 1.289 53.313 52.037 -0.022 0.000 0.635 818 A CB -0.491 18.500 19.000 -0.014 0.000 0.810 818 A HN 0.511 nan 8.150 nan 0.000 0.446 819 Q N -1.996 117.748 119.800 -0.095 0.000 2.123 819 Q HA -0.127 4.206 4.340 -0.012 0.000 0.199 819 Q C 1.839 177.676 176.000 -0.271 0.000 0.966 819 Q CA 1.400 57.107 55.803 -0.161 0.000 0.845 819 Q CB -0.245 28.384 28.738 -0.182 0.000 0.907 819 Q HN 0.822 nan 8.270 nan 0.000 0.439 820 Y N 0.594 120.618 120.300 -0.460 0.000 2.145 820 Y HA -0.242 4.300 4.550 -0.012 0.000 0.286 820 Y C 2.468 177.840 175.900 -0.880 0.000 1.145 820 Y CA 1.255 58.838 58.100 -0.861 0.000 1.148 820 Y CB -0.395 37.243 38.460 -1.371 0.000 0.981 820 Y HN 0.140 nan 8.280 nan 0.000 0.507 821 A N 0.365 122.995 122.820 -0.318 0.000 1.883 821 A HA -0.226 4.087 4.320 -0.012 0.000 0.217 821 A C 2.263 179.877 177.584 0.050 0.000 1.186 821 A CA 2.051 54.136 52.037 0.080 0.000 0.624 821 A CB -0.522 18.584 19.000 0.177 0.000 0.822 821 A HN 0.407 nan 8.150 nan 0.000 0.444 822 R N -0.666 119.820 120.500 -0.024 0.000 2.093 822 R HA -0.018 4.315 4.340 -0.012 0.000 0.224 822 R C 1.716 178.000 176.300 -0.028 0.000 1.101 822 R CA 1.368 57.463 56.100 -0.009 0.000 0.979 822 R CB -0.200 30.088 30.300 -0.020 0.000 0.877 822 R HN 0.675 nan 8.270 nan 0.000 0.441 823 E N -0.276 119.869 120.200 -0.093 0.000 2.447 823 E HA 0.094 4.437 4.350 -0.012 0.000 0.195 823 E C 1.443 178.003 176.600 -0.067 0.000 1.028 823 E CA 0.449 56.798 56.400 -0.085 0.000 0.876 823 E CB 0.512 30.132 29.700 -0.132 0.000 0.885 823 E HN 0.318 nan 8.360 nan 0.000 0.500 824 I N -1.226 119.279 120.570 -0.109 0.000 3.878 824 I HA 0.026 4.189 4.170 -0.012 0.000 0.273 824 I C 1.314 177.587 176.117 0.259 0.000 1.165 824 I CA -0.082 61.215 61.300 -0.005 0.000 1.360 824 I CB 0.228 38.078 38.000 -0.250 0.000 1.539 824 I HN 0.105 nan 8.210 nan 0.000 0.447 825 W N 1.637 123.037 121.300 0.166 0.000 2.658 825 W HA 0.317 4.970 4.660 -0.012 0.000 0.263 825 W C 1.520 178.077 176.519 0.064 0.000 1.274 825 W CA 0.851 58.272 57.345 0.126 0.000 1.343 825 W CB -1.064 28.457 29.460 0.102 0.000 1.106 825 W HN 0.329 nan 8.180 nan 0.000 0.615 826 G N 1.130 110.075 108.800 0.243 0.000 2.225 826 G HA2 -0.118 3.835 3.960 -0.012 0.000 0.264 826 G HA3 -0.118 3.835 3.960 -0.012 0.000 0.264 826 G C -0.284 174.690 174.900 0.123 0.000 1.060 826 G CA 0.249 45.432 45.100 0.137 0.000 0.833 826 G HN 0.373 nan 8.290 nan 0.000 0.498 827 V N -3.636 116.371 119.914 0.154 0.000 2.962 827 V HA 0.932 5.045 4.120 -0.012 0.000 0.313 827 V C -0.293 175.860 176.094 0.099 0.000 1.099 827 V CA -1.602 60.767 62.300 0.115 0.000 0.971 827 V CB 2.266 34.164 31.823 0.124 0.000 1.028 827 V HN 0.330 nan 8.190 nan 0.000 0.430 828 E N 4.201 124.442 120.200 0.069 0.000 2.134 828 E HA 0.607 4.950 4.350 -0.012 0.000 0.278 828 E C -2.383 174.253 176.600 0.061 0.000 0.959 828 E CA -2.059 54.375 56.400 0.058 0.000 0.783 828 E CB 1.347 31.073 29.700 0.043 0.000 1.095 828 E HN 0.803 nan 8.360 nan 0.000 0.399 829 P HA 0.087 nan 4.420 nan 0.000 0.270 829 P C -0.801 176.529 177.300 0.051 0.000 1.223 829 P CA -0.376 62.759 63.100 0.058 0.000 0.785 829 P CB 1.169 32.899 31.700 0.049 0.000 0.923 830 S N 0.495 116.227 115.700 0.055 0.000 2.546 830 S HA 0.415 4.878 4.470 -0.012 0.000 0.274 830 S C 0.335 174.963 174.600 0.047 0.000 1.121 830 S CA -0.766 57.465 58.200 0.052 0.000 0.887 830 S CB 1.314 64.554 63.200 0.066 0.000 1.094 830 S HN 0.319 nan 8.310 nan 0.000 0.474 831 R N 1.629 122.152 120.500 0.039 0.000 2.437 831 R HA 0.224 4.556 4.340 -0.012 0.000 0.257 831 R C -0.162 176.152 176.300 0.024 0.000 0.927 831 R CA -0.023 56.097 56.100 0.034 0.000 1.078 831 R CB 0.221 30.539 30.300 0.031 0.000 1.161 831 R HN 0.699 nan 8.270 nan 0.000 0.529 832 Q N 1.408 121.223 119.800 0.025 0.000 2.263 832 Q HA -0.003 4.330 4.340 -0.012 0.000 0.289 832 Q C -0.083 175.915 176.000 -0.003 0.000 1.061 832 Q CA 0.530 56.341 55.803 0.013 0.000 0.927 832 Q CB 0.656 29.408 28.738 0.023 0.000 1.154 832 Q HN -0.175 nan 8.270 nan 0.000 0.378 833 R N 1.757 122.245 120.500 -0.020 0.000 2.594 833 R HA 0.208 4.541 4.340 -0.012 0.000 0.272 833 R C -0.919 175.343 176.300 -0.062 0.000 1.074 833 R CA -0.251 55.825 56.100 -0.041 0.000 1.105 833 R CB 0.360 30.633 30.300 -0.045 0.000 1.008 833 R HN 0.444 nan 8.270 nan 0.000 0.472 834 L N 5.811 126.984 121.223 -0.083 0.000 2.325 834 L HA 0.487 4.820 4.340 -0.012 0.000 0.279 834 L C -2.145 174.659 176.870 -0.109 0.000 1.054 834 L CA -2.217 52.542 54.840 -0.135 0.000 0.804 834 L CB 1.409 43.372 42.059 -0.160 0.000 1.200 834 L HN 0.607 nan 8.230 nan 0.000 0.436 835 P HA 0.055 nan 4.420 nan 0.000 0.260 835 P C -0.784 176.480 177.300 -0.061 0.000 1.172 835 P CA 0.233 63.286 63.100 -0.078 0.000 0.760 835 P CB 0.367 32.020 31.700 -0.078 0.000 0.773 836 A N 0.000 122.794 122.820 -0.044 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.012 0.000 0.244 836 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 836 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486