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 3mt8_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 13 I N -0.538 120.020 120.570 -0.019 0.000 2.498 13 I HA 0.560 4.723 4.170 -0.013 0.000 0.301 13 I C 0.867 176.984 176.117 -0.001 0.000 0.984 13 I CA -0.291 61.006 61.300 -0.005 0.000 1.204 13 I CB 1.958 39.960 38.000 0.002 0.000 1.362 13 I HN 0.191 nan 8.210 nan 0.000 0.471 14 S N 3.230 118.934 115.700 0.008 0.000 2.368 14 S HA -0.134 4.328 4.470 -0.013 0.000 0.225 14 S C 1.741 176.350 174.600 0.014 0.000 1.030 14 S CA 1.788 59.994 58.200 0.010 0.000 0.999 14 S CB -0.470 62.740 63.200 0.017 0.000 0.844 14 S HN 0.745 nan 8.310 nan 0.000 0.459 15 V N -0.030 119.900 119.914 0.027 0.000 3.078 15 V HA 0.109 4.221 4.120 -0.013 0.000 0.265 15 V C 1.903 178.011 176.094 0.024 0.000 1.122 15 V CA 1.307 63.627 62.300 0.033 0.000 1.141 15 V CB -0.975 30.877 31.823 0.048 0.000 0.735 15 V HN 0.354 nan 8.190 nan 0.000 0.498 16 R N 1.237 121.743 120.500 0.009 0.000 2.313 16 R HA 0.426 4.758 4.340 -0.013 0.000 0.199 16 R C 1.128 177.418 176.300 -0.017 0.000 0.958 16 R CA 0.577 56.675 56.100 -0.003 0.000 1.047 16 R CB -0.067 30.228 30.300 -0.008 0.000 0.955 16 R HN 0.778 nan 8.270 nan 0.000 0.481 17 G N 0.516 109.306 108.800 -0.018 0.000 2.685 17 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.387 17 G HA3 -0.206 3.746 3.960 -0.013 0.000 0.387 17 G C -1.005 173.878 174.900 -0.028 0.000 1.324 17 G CA -1.101 43.981 45.100 -0.031 0.000 0.878 17 G HN -0.033 nan 8.290 nan 0.000 0.527 18 L N 0.453 121.657 121.223 -0.032 0.000 2.350 18 L HA 0.661 4.993 4.340 -0.013 0.000 0.275 18 L C 1.219 178.073 176.870 -0.026 0.000 1.099 18 L CA 0.383 55.208 54.840 -0.025 0.000 0.808 18 L CB 1.005 43.050 42.059 -0.023 0.000 1.149 18 L HN 1.535 nan 8.230 nan 0.000 0.442 19 A N 2.684 125.492 122.820 -0.020 0.000 3.056 19 A HA 0.591 4.904 4.320 -0.013 0.000 0.328 19 A C 0.680 178.258 177.584 -0.009 0.000 1.233 19 A CA -0.344 51.683 52.037 -0.016 0.000 0.965 19 A CB -0.280 18.710 19.000 -0.018 0.000 1.123 19 A HN 0.792 nan 8.150 nan 0.000 0.502 20 G N -0.251 108.544 108.800 -0.007 0.000 2.544 20 G HA2 0.363 4.316 3.960 -0.013 0.000 0.242 20 G HA3 0.363 4.316 3.960 -0.013 0.000 0.242 20 G C 0.988 175.891 174.900 0.006 0.000 1.247 20 G CA -0.049 45.051 45.100 -0.001 0.000 0.840 20 G HN 0.445 nan 8.290 nan 0.000 0.578 21 V N 1.248 121.166 119.914 0.007 0.000 2.343 21 V HA -0.164 3.948 4.120 -0.013 0.000 0.247 21 V C 2.648 178.751 176.094 0.016 0.000 1.051 21 V CA 2.369 64.675 62.300 0.011 0.000 1.036 21 V CB -0.643 31.186 31.823 0.009 0.000 0.654 21 V HN 0.816 nan 8.190 nan 0.000 0.451 22 E N 0.521 120.731 120.200 0.016 0.000 2.072 22 E HA -0.178 4.164 4.350 -0.013 0.000 0.191 22 E C 2.060 178.679 176.600 0.033 0.000 0.985 22 E CA 1.547 57.960 56.400 0.022 0.000 0.801 22 E CB -0.200 29.512 29.700 0.020 0.000 0.750 22 E HN 0.632 nan 8.360 nan 0.000 0.452 23 N N -0.835 117.884 118.700 0.031 0.000 2.142 23 N HA -0.126 4.606 4.740 -0.013 0.000 0.186 23 N C 1.624 177.161 175.510 0.043 0.000 1.023 23 N CA 1.170 54.245 53.050 0.042 0.000 0.852 23 N CB -0.083 38.415 38.487 0.019 0.000 0.998 23 N HN -0.015 nan 8.380 nan 0.000 0.424 24 V N 0.357 120.288 119.914 0.028 0.000 2.343 24 V HA -0.229 3.883 4.120 -0.013 0.000 0.247 24 V C 1.992 178.107 176.094 0.034 0.000 1.051 24 V CA 1.881 64.197 62.300 0.026 0.000 1.036 24 V CB -0.927 30.907 31.823 0.017 0.000 0.654 24 V HN 0.414 nan 8.190 nan 0.000 0.451 25 T N -0.718 113.856 114.554 0.033 0.000 2.746 25 T HA -0.213 4.130 4.350 -0.013 0.000 0.267 25 T C 1.915 176.646 174.700 0.052 0.000 1.039 25 T CA 1.705 63.826 62.100 0.034 0.000 1.142 25 T CB -0.184 68.700 68.868 0.027 0.000 0.866 25 T HN 0.407 nan 8.240 nan 0.000 0.444 26 E N 0.837 121.075 120.200 0.063 0.000 2.072 26 E HA 0.046 4.388 4.350 -0.013 0.000 0.191 26 E C 2.080 178.754 176.600 0.123 0.000 0.985 26 E CA 0.650 57.100 56.400 0.084 0.000 0.801 26 E CB -0.454 29.300 29.700 0.089 0.000 0.750 26 E HN 0.416 nan 8.360 nan 0.000 0.452 27 L N 0.230 121.535 121.223 0.136 0.000 2.042 27 L HA -0.221 4.111 4.340 -0.013 0.000 0.210 27 L C 2.339 179.316 176.870 0.177 0.000 1.076 27 L CA 1.436 56.381 54.840 0.175 0.000 0.749 27 L CB -0.341 41.794 42.059 0.126 0.000 0.893 27 L HN 0.068 nan 8.230 nan 0.000 0.432 28 K N 0.488 120.952 120.400 0.105 0.000 2.063 28 K HA -0.220 4.092 4.320 -0.013 0.000 0.208 28 K C 2.136 178.830 176.600 0.156 0.000 1.048 28 K CA 1.895 58.233 56.287 0.086 0.000 0.928 28 K CB -0.099 32.415 32.500 0.024 0.000 0.713 28 K HN 0.393 nan 8.250 nan 0.000 0.442 29 K N 0.140 120.614 120.400 0.124 0.000 2.155 29 K HA -0.033 4.279 4.320 -0.013 0.000 0.203 29 K C 1.589 178.267 176.600 0.130 0.000 1.052 29 K CA 1.273 57.627 56.287 0.112 0.000 0.948 29 K CB -0.079 32.461 32.500 0.067 0.000 0.728 29 K HN -0.005 nan 8.250 nan 0.000 0.448 30 N N 0.465 119.253 118.700 0.146 0.000 2.270 30 N HA -0.104 4.628 4.740 -0.013 0.000 0.181 30 N C 1.561 177.208 175.510 0.229 0.000 1.016 30 N CA 0.893 54.017 53.050 0.124 0.000 0.870 30 N CB -0.231 38.341 38.487 0.142 0.000 0.979 30 N HN 0.207 nan 8.380 nan 0.000 0.431 31 F N 2.556 122.602 119.950 0.160 0.000 2.102 31 F HA -0.119 4.401 4.527 -0.013 0.000 0.298 31 F C 2.016 177.918 175.800 0.169 0.000 1.105 31 F CA 1.304 59.415 58.000 0.186 0.000 1.239 31 F CB -0.110 38.970 39.000 0.133 0.000 0.991 31 F HN -0.023 nan 8.300 nan 0.000 0.474 32 N N 0.380 119.308 118.700 0.379 0.000 2.188 32 N HA -0.172 4.560 4.740 -0.013 0.000 0.184 32 N C 2.009 177.613 175.510 0.156 0.000 1.018 32 N CA 1.059 54.259 53.050 0.251 0.000 0.858 32 N CB -0.537 38.072 38.487 0.203 0.000 0.989 32 N HN 0.369 nan 8.380 nan 0.000 0.426 33 R N 0.318 120.901 120.500 0.139 0.000 2.073 33 R HA -0.107 4.225 4.340 -0.013 0.000 0.234 33 R C 1.820 178.218 176.300 0.163 0.000 1.134 33 R CA 1.515 57.724 56.100 0.180 0.000 0.952 33 R CB -0.213 30.095 30.300 0.013 0.000 0.850 33 R HN 0.386 nan 8.270 nan 0.000 0.433 34 H N -0.364 118.757 119.070 0.085 0.000 2.357 34 H HA -0.129 4.420 4.556 -0.013 0.000 0.301 34 H C 1.923 177.188 175.328 -0.106 0.000 1.082 34 H CA 1.445 57.471 56.048 -0.037 0.000 1.342 34 H CB 0.025 29.716 29.762 -0.119 0.000 1.389 34 H HN 0.120 nan 8.280 nan 0.000 0.511 35 L N 0.082 121.294 121.223 -0.018 0.000 2.081 35 L HA -0.228 4.105 4.340 -0.013 0.000 0.212 35 L C 2.192 179.049 176.870 -0.022 0.000 1.080 35 L CA 1.925 56.729 54.840 -0.060 0.000 0.754 35 L CB -0.433 41.613 42.059 -0.021 0.000 0.893 35 L HN 0.325 nan 8.230 nan 0.000 0.433 36 H N -1.913 117.097 119.070 -0.100 0.000 2.287 36 H HA -0.038 4.510 4.556 -0.013 0.000 0.309 36 H C 1.809 176.957 175.328 -0.300 0.000 1.059 36 H CA 2.106 58.003 56.048 -0.251 0.000 1.357 36 H CB -0.292 29.235 29.762 -0.391 0.000 1.409 36 H HN 0.276 nan 8.280 nan 0.000 0.515 37 F N -0.436 119.500 119.950 -0.023 0.000 2.293 37 F HA -0.009 4.510 4.527 -0.013 0.000 0.297 37 F C 2.458 178.191 175.800 -0.112 0.000 1.089 37 F CA 1.338 59.286 58.000 -0.088 0.000 1.377 37 F CB -0.159 38.831 39.000 -0.017 0.000 1.051 37 F HN 0.195 nan 8.300 nan 0.000 0.511 38 T N -0.431 114.157 114.554 0.057 0.000 2.953 38 T HA 0.113 4.456 4.350 -0.013 0.000 0.247 38 T C 1.896 176.491 174.700 -0.176 0.000 1.029 38 T CA 0.693 62.750 62.100 -0.072 0.000 1.144 38 T CB -0.201 68.582 68.868 -0.142 0.000 0.870 38 T HN 0.093 nan 8.240 nan 0.000 0.446 39 L N 1.244 122.360 121.223 -0.178 0.000 2.529 39 L HA 0.204 4.537 4.340 -0.013 0.000 0.223 39 L C 0.292 177.060 176.870 -0.171 0.000 1.113 39 L CA -0.078 54.647 54.840 -0.191 0.000 0.861 39 L CB 0.020 41.972 42.059 -0.178 0.000 1.012 39 L HN -0.023 nan 8.230 nan 0.000 0.461 40 V N 0.512 120.310 119.914 -0.193 0.000 5.949 40 V HA -0.281 3.831 4.120 -0.013 0.000 0.287 40 V C -0.112 175.872 176.094 -0.184 0.000 0.603 40 V CA 1.061 63.221 62.300 -0.233 0.000 0.608 40 V CB -2.265 29.445 31.823 -0.189 0.000 0.259 40 V HN 0.416 nan 8.190 nan 0.000 0.742 41 K N 1.121 121.424 120.400 -0.161 0.000 2.509 41 K HA 0.718 5.030 4.320 -0.013 0.000 0.266 41 K C -0.637 175.941 176.600 -0.037 0.000 0.987 41 K CA -0.566 55.663 56.287 -0.098 0.000 0.868 41 K CB 2.890 35.332 32.500 -0.098 0.000 1.421 41 K HN 0.508 nan 8.250 nan 0.000 0.444 42 D N -0.296 120.103 120.400 -0.001 0.000 2.423 42 D HA 0.296 4.928 4.640 -0.013 0.000 0.235 42 D C 0.642 176.983 176.300 0.068 0.000 1.011 42 D CA -0.662 53.372 54.000 0.056 0.000 0.963 42 D CB 1.031 41.866 40.800 0.059 0.000 1.349 42 D HN 0.145 nan 8.370 nan 0.000 0.508 43 R N 0.260 120.834 120.500 0.123 0.000 2.261 43 R HA -0.090 4.242 4.340 -0.013 0.000 0.236 43 R C 0.943 177.320 176.300 0.129 0.000 1.141 43 R CA 0.677 56.888 56.100 0.186 0.000 1.001 43 R CB -0.697 29.716 30.300 0.188 0.000 0.866 43 R HN 0.520 nan 8.270 nan 0.000 0.468 44 N N 0.193 118.937 118.700 0.072 0.000 2.270 44 N HA -0.091 4.641 4.740 -0.013 0.000 0.181 44 N C 1.623 177.152 175.510 0.032 0.000 1.016 44 N CA 1.478 54.557 53.050 0.049 0.000 0.870 44 N CB 0.169 38.675 38.487 0.031 0.000 0.979 44 N HN 0.252 nan 8.380 nan 0.000 0.431 45 V N -3.258 116.662 119.914 0.011 0.000 3.432 45 V HA 0.534 4.647 4.120 -0.013 0.000 0.298 45 V C 0.700 176.759 176.094 -0.058 0.000 1.464 45 V CA -0.610 61.681 62.300 -0.015 0.000 1.046 45 V CB -0.336 31.474 31.823 -0.021 0.000 0.887 45 V HN 0.063 nan 8.190 nan 0.000 0.441 46 A N 2.350 125.113 122.820 -0.094 0.000 2.488 46 A HA 0.553 4.865 4.320 -0.013 0.000 0.249 46 A C 0.808 178.193 177.584 -0.332 0.000 1.083 46 A CA 0.823 52.694 52.037 -0.278 0.000 0.768 46 A CB -0.182 18.547 19.000 -0.452 0.000 1.017 46 A HN 0.772 nan 8.150 nan 0.000 0.496 47 T N 0.651 115.022 114.554 -0.306 0.000 2.912 47 T HA 0.521 4.863 4.350 -0.013 0.000 0.280 47 T C -2.033 172.539 174.700 -0.213 0.000 0.989 47 T CA -1.688 60.309 62.100 -0.173 0.000 0.995 47 T CB 0.983 69.809 68.868 -0.069 0.000 1.077 47 T HN 0.283 nan 8.240 nan 0.000 0.531 48 P HA -0.104 nan 4.420 nan 0.000 0.216 48 P C 1.600 178.998 177.300 0.163 0.000 1.150 48 P CA 0.956 64.169 63.100 0.189 0.000 0.843 48 P CB 0.043 31.835 31.700 0.153 0.000 0.787 49 R N 0.049 120.598 120.500 0.080 0.000 2.096 49 R HA -0.135 4.197 4.340 -0.013 0.000 0.235 49 R C 1.686 178.149 176.300 0.272 0.000 1.127 49 R CA 1.721 57.909 56.100 0.147 0.000 0.968 49 R CB -0.687 29.635 30.300 0.038 0.000 0.861 49 R HN 0.097 nan 8.270 nan 0.000 0.440 50 D N -0.317 120.125 120.400 0.070 0.000 2.117 50 D HA -0.194 4.438 4.640 -0.013 0.000 0.197 50 D C 1.692 178.019 176.300 0.046 0.000 0.987 50 D CA 1.319 55.318 54.000 -0.002 0.000 0.829 50 D CB -0.252 40.410 40.800 -0.230 0.000 0.961 50 D HN 0.310 nan 8.370 nan 0.000 0.460 51 Y N 0.135 120.541 120.300 0.175 0.000 2.200 51 Y HA -0.199 4.344 4.550 -0.013 0.000 0.290 51 Y C 2.326 178.369 175.900 0.238 0.000 1.137 51 Y CA 0.235 58.487 58.100 0.252 0.000 1.163 51 Y CB -1.224 37.446 38.460 0.349 0.000 0.988 51 Y HN 0.084 nan 8.280 nan 0.000 0.518 52 Y N -0.380 120.069 120.300 0.249 0.000 2.097 52 Y HA -0.309 4.234 4.550 -0.013 0.000 0.282 52 Y C 2.022 177.915 175.900 -0.011 0.000 1.152 52 Y CA 1.434 59.581 58.100 0.077 0.000 1.136 52 Y CB -1.172 37.231 38.460 -0.094 0.000 0.975 52 Y HN 0.047 nan 8.280 nan 0.000 0.498 53 F N 0.165 119.921 119.950 -0.324 0.000 2.171 53 F HA -0.141 4.378 4.527 -0.013 0.000 0.300 53 F C 2.633 178.271 175.800 -0.271 0.000 1.090 53 F CA 1.226 58.982 58.000 -0.406 0.000 1.293 53 F CB -0.768 38.146 39.000 -0.142 0.000 1.013 53 F HN 0.217 nan 8.300 nan 0.000 0.486 54 A N -0.162 122.581 122.820 -0.128 0.000 1.902 54 A HA -0.182 4.130 4.320 -0.013 0.000 0.217 54 A C 2.053 179.479 177.584 -0.264 0.000 1.181 54 A CA 1.555 53.369 52.037 -0.372 0.000 0.623 54 A CB -0.994 17.453 19.000 -0.922 0.000 0.818 54 A HN 0.341 nan 8.150 nan 0.000 0.443 55 L N -0.210 120.987 121.223 -0.044 0.000 2.027 55 L HA -0.023 4.309 4.340 -0.013 0.000 0.206 55 L C 2.684 179.562 176.870 0.012 0.000 1.074 55 L CA 2.192 57.159 54.840 0.212 0.000 0.745 55 L CB -0.971 41.294 42.059 0.344 0.000 0.898 55 L HN 0.343 nan 8.230 nan 0.000 0.433 56 A N -1.236 121.426 122.820 -0.263 0.000 1.908 56 A HA -0.293 4.019 4.320 -0.013 0.000 0.218 56 A C 2.148 179.430 177.584 -0.502 0.000 1.181 56 A CA 2.084 53.857 52.037 -0.441 0.000 0.627 56 A CB -1.094 17.334 19.000 -0.953 0.000 0.818 56 A HN 0.674 nan 8.150 nan 0.000 0.445 57 H N -0.736 118.034 119.070 -0.500 0.000 2.389 57 H HA -0.049 4.499 4.556 -0.013 0.000 0.299 57 H C 2.363 177.427 175.328 -0.439 0.000 1.081 57 H CA 1.974 57.639 56.048 -0.639 0.000 1.345 57 H CB -0.312 28.809 29.762 -1.069 0.000 1.393 57 H HN 0.463 nan 8.280 nan 0.000 0.520 58 T N -0.285 114.246 114.554 -0.038 0.000 2.708 58 T HA -0.139 4.204 4.350 -0.013 0.000 0.266 58 T C 2.272 177.146 174.700 0.289 0.000 1.037 58 T CA 1.441 63.699 62.100 0.263 0.000 1.146 58 T CB -0.441 68.640 68.868 0.354 0.000 0.865 58 T HN 0.092 nan 8.240 nan 0.000 0.435 59 V N 2.545 122.593 119.914 0.224 0.000 2.358 59 V HA -0.175 3.937 4.120 -0.013 0.000 0.246 59 V C 2.664 178.932 176.094 0.290 0.000 1.047 59 V CA 1.977 64.444 62.300 0.278 0.000 1.035 59 V CB -0.721 31.257 31.823 0.259 0.000 0.658 59 V HN 0.527 nan 8.190 nan 0.000 0.452 60 R N 0.412 121.018 120.500 0.176 0.000 2.152 60 R HA -0.191 4.141 4.340 -0.013 0.000 0.232 60 R C 1.668 178.050 176.300 0.138 0.000 1.117 60 R CA 1.983 58.180 56.100 0.162 0.000 0.981 60 R CB -0.704 29.530 30.300 -0.110 0.000 0.870 60 R HN 0.373 nan 8.270 nan 0.000 0.451 61 D N 0.800 121.271 120.400 0.119 0.000 2.149 61 D HA -0.163 4.469 4.640 -0.013 0.000 0.198 61 D C 1.661 177.970 176.300 0.015 0.000 0.990 61 D CA 1.166 55.208 54.000 0.071 0.000 0.839 61 D CB -0.362 40.472 40.800 0.058 0.000 0.948 61 D HN 0.486 nan 8.370 nan 0.000 0.460 62 H N -0.314 118.813 119.070 0.095 0.000 2.524 62 H HA 0.051 4.600 4.556 -0.013 0.000 0.282 62 H C 2.140 177.505 175.328 0.061 0.000 1.016 62 H CA 0.345 56.435 56.048 0.070 0.000 1.270 62 H CB 0.360 30.156 29.762 0.057 0.000 1.394 62 H HN 0.205 nan 8.280 nan 0.000 0.568 63 L N 0.603 121.931 121.223 0.176 0.000 2.270 63 L HA -0.093 4.240 4.340 -0.013 0.000 0.210 63 L C 2.748 179.729 176.870 0.185 0.000 1.104 63 L CA 0.340 55.254 54.840 0.123 0.000 0.804 63 L CB -0.127 41.971 42.059 0.065 0.000 0.937 63 L HN 0.113 nan 8.230 nan 0.000 0.450 64 V N -2.186 117.847 119.914 0.199 0.000 2.295 64 V HA -0.119 3.994 4.120 -0.013 0.000 0.246 64 V C 2.312 178.507 176.094 0.169 0.000 1.049 64 V CA 2.015 64.457 62.300 0.238 0.000 1.024 64 V CB -1.681 30.236 31.823 0.156 0.000 0.648 64 V HN 0.347 nan 8.190 nan 0.000 0.447 65 G N 0.284 109.142 108.800 0.097 0.000 2.459 65 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.217 65 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.217 65 G C 1.754 176.694 174.900 0.068 0.000 1.183 65 G CA 1.037 46.171 45.100 0.058 0.000 0.776 65 G HN 0.546 nan 8.290 nan 0.000 0.552 66 R N -1.413 119.135 120.500 0.080 0.000 2.096 66 R HA -0.100 4.233 4.340 -0.013 0.000 0.235 66 R C 2.273 178.648 176.300 0.125 0.000 1.127 66 R CA 1.278 57.415 56.100 0.061 0.000 0.968 66 R CB -0.365 29.956 30.300 0.035 0.000 0.861 66 R HN 0.492 nan 8.270 nan 0.000 0.440 67 W N 1.468 122.742 121.300 -0.043 0.000 2.355 67 W HA -0.052 4.600 4.660 -0.012 0.000 0.309 67 W C 1.733 178.218 176.519 -0.058 0.000 1.206 67 W CA 0.860 58.176 57.345 -0.049 0.000 1.284 67 W CB -0.586 28.861 29.460 -0.021 0.000 1.145 67 W HN -0.036 nan 8.180 nan 0.000 0.502 68 I N 1.001 121.616 120.570 0.076 0.000 2.226 68 I HA -0.338 3.825 4.170 -0.013 0.000 0.245 68 I C 2.685 178.781 176.117 -0.035 0.000 1.100 68 I CA 2.029 63.293 61.300 -0.059 0.000 1.374 68 I CB -0.592 37.376 38.000 -0.053 0.000 1.057 68 I HN -0.015 nan 8.210 nan 0.000 0.413 69 R N 0.251 120.745 120.500 -0.009 0.000 2.153 69 R HA -0.028 4.305 4.340 -0.013 0.000 0.218 69 R C 1.913 178.173 176.300 -0.066 0.000 1.072 69 R CA 1.388 57.473 56.100 -0.025 0.000 0.990 69 R CB -1.076 29.210 30.300 -0.024 0.000 0.889 69 R HN 0.157 nan 8.270 nan 0.000 0.452 70 T N 1.729 116.222 114.554 -0.102 0.000 2.674 70 T HA -0.115 4.227 4.350 -0.013 0.000 0.265 70 T C 1.814 176.238 174.700 -0.460 0.000 1.039 70 T CA 1.432 63.362 62.100 -0.284 0.000 1.150 70 T CB -0.133 68.608 68.868 -0.213 0.000 0.864 70 T HN 0.250 nan 8.240 nan 0.000 0.427 71 Q N 0.777 120.455 119.800 -0.204 0.000 2.167 71 Q HA -0.084 4.248 4.340 -0.013 0.000 0.202 71 Q C 2.346 178.356 176.000 0.017 0.000 0.970 71 Q CA 1.265 57.023 55.803 -0.075 0.000 0.855 71 Q CB -0.492 28.237 28.738 -0.014 0.000 0.911 71 Q HN 0.532 nan 8.270 nan 0.000 0.438 72 Q N 0.211 120.013 119.800 0.002 0.000 2.084 72 Q HA -0.195 4.137 4.340 -0.013 0.000 0.202 72 Q C 1.927 178.014 176.000 0.146 0.000 0.978 72 Q CA 1.889 57.741 55.803 0.083 0.000 0.844 72 Q CB -0.358 28.408 28.738 0.046 0.000 0.898 72 Q HN 0.538 nan 8.270 nan 0.000 0.426 73 H N -0.998 118.043 119.070 -0.048 0.000 2.352 73 H HA -0.181 4.368 4.556 -0.013 0.000 0.299 73 H C 1.121 176.502 175.328 0.089 0.000 1.097 73 H CA 2.255 58.282 56.048 -0.036 0.000 1.311 73 H CB -0.261 29.412 29.762 -0.149 0.000 1.377 73 H HN 0.377 nan 8.280 nan 0.000 0.504 74 Y N -1.125 119.209 120.300 0.056 0.000 2.242 74 Y HA -0.170 4.373 4.550 -0.013 0.000 0.291 74 Y C 2.411 178.336 175.900 0.043 0.000 1.137 74 Y CA 1.035 59.140 58.100 0.008 0.000 1.181 74 Y CB -1.333 37.189 38.460 0.103 0.000 0.989 74 Y HN 0.369 nan 8.280 nan 0.000 0.527 75 Y N 1.170 121.553 120.300 0.138 0.000 2.242 75 Y HA -0.155 4.387 4.550 -0.013 0.000 0.291 75 Y C 2.068 177.981 175.900 0.022 0.000 1.137 75 Y CA 1.615 59.761 58.100 0.077 0.000 1.181 75 Y CB -0.032 38.467 38.460 0.064 0.000 0.989 75 Y HN 0.015 nan 8.280 nan 0.000 0.527 76 E N 0.416 120.600 120.200 -0.026 0.000 2.028 76 E HA -0.143 4.199 4.350 -0.013 0.000 0.190 76 E C 2.024 178.528 176.600 -0.161 0.000 0.984 76 E CA 1.144 57.471 56.400 -0.122 0.000 0.800 76 E CB -0.230 29.468 29.700 -0.004 0.000 0.758 76 E HN 0.477 nan 8.360 nan 0.000 0.448 77 K N 0.623 120.916 120.400 -0.178 0.000 2.296 77 K HA -0.081 4.231 4.320 -0.013 0.000 0.200 77 K C -0.075 176.455 176.600 -0.117 0.000 1.048 77 K CA 0.422 56.605 56.287 -0.174 0.000 0.966 77 K CB 0.050 32.370 32.500 -0.300 0.000 0.754 77 K HN -0.017 nan 8.250 nan 0.000 0.466 78 D N 0.933 121.276 120.400 -0.096 0.000 2.735 78 D HA -0.104 4.528 4.640 -0.013 0.000 0.235 78 D C -2.440 173.828 176.300 -0.052 0.000 1.175 78 D CA 0.087 54.045 54.000 -0.070 0.000 0.683 78 D CB -0.066 40.666 40.800 -0.112 0.000 1.008 78 D HN 0.170 nan 8.370 nan 0.000 0.416 79 P HA 0.095 nan 4.420 nan 0.000 0.277 79 P C -0.129 177.130 177.300 -0.068 0.000 1.271 79 P CA -0.584 62.480 63.100 -0.061 0.000 0.795 79 P CB 0.595 32.244 31.700 -0.085 0.000 1.101 80 K N 1.117 121.480 120.400 -0.061 0.000 2.447 80 K HA 0.049 4.362 4.320 -0.013 0.000 0.281 80 K C -0.063 176.455 176.600 -0.137 0.000 1.031 80 K CA 0.028 56.274 56.287 -0.069 0.000 1.019 80 K CB 0.168 32.644 32.500 -0.039 0.000 0.918 80 K HN 0.254 nan 8.250 nan 0.000 0.476 81 R N 3.672 124.080 120.500 -0.153 0.000 2.368 81 R HA 0.333 4.665 4.340 -0.013 0.000 0.302 81 R C -0.523 175.527 176.300 -0.416 0.000 1.002 81 R CA -0.505 55.426 56.100 -0.282 0.000 0.929 81 R CB 0.838 30.974 30.300 -0.274 0.000 1.073 81 R HN 0.493 nan 8.270 nan 0.000 0.464 82 I N 4.422 124.685 120.570 -0.512 0.000 2.339 82 I HA 0.200 4.362 4.170 -0.013 0.000 0.290 82 I C -0.656 175.168 176.117 -0.489 0.000 0.994 82 I CA -0.825 60.125 61.300 -0.583 0.000 1.191 82 I CB 0.767 38.280 38.000 -0.812 0.000 1.343 82 I HN 0.536 nan 8.210 nan 0.000 0.458 83 Y N 5.984 126.243 120.300 -0.069 0.000 2.369 83 Y HA 0.279 4.822 4.550 -0.013 0.000 0.337 83 Y C -0.237 175.756 175.900 0.155 0.000 0.961 83 Y CA -0.668 57.505 58.100 0.121 0.000 1.186 83 Y CB 1.027 39.506 38.460 0.031 0.000 1.139 83 Y HN 0.404 nan 8.280 nan 0.000 0.494 84 Y N 4.608 125.078 120.300 0.285 0.000 2.518 84 Y HA 0.456 4.999 4.550 -0.013 0.000 0.344 84 Y C -1.211 174.951 175.900 0.437 0.000 0.982 84 Y CA -0.916 57.366 58.100 0.303 0.000 1.234 84 Y CB 0.243 38.882 38.460 0.298 0.000 1.114 84 Y HN 0.499 nan 8.280 nan 0.000 0.515 85 L N 5.000 126.279 121.223 0.095 0.000 2.265 85 L HA 0.473 4.805 4.340 -0.013 0.000 0.288 85 L C -0.158 176.741 176.870 0.049 0.000 1.058 85 L CA 0.144 55.097 54.840 0.189 0.000 0.809 85 L CB 1.289 43.421 42.059 0.122 0.000 1.179 85 L HN 0.564 nan 8.230 nan 0.000 0.429 86 S N 2.324 118.139 115.700 0.191 0.000 2.541 86 S HA 0.515 4.977 4.470 -0.013 0.000 0.271 86 S C 0.253 174.956 174.600 0.173 0.000 1.133 86 S CA -0.508 57.700 58.200 0.015 0.000 0.876 86 S CB 1.057 64.023 63.200 -0.390 0.000 1.105 86 S HN 0.468 nan 8.310 nan 0.000 0.470 87 L N 2.633 123.988 121.223 0.220 0.000 2.591 87 L HA 0.436 4.768 4.340 -0.013 0.000 0.228 87 L C 0.279 177.353 176.870 0.340 0.000 1.133 87 L CA 0.968 56.004 54.840 0.327 0.000 0.880 87 L CB -0.075 42.189 42.059 0.341 0.000 1.033 87 L HN 0.634 nan 8.230 nan 0.000 0.450 88 E N -1.154 119.114 120.200 0.113 0.000 2.275 88 E HA 0.390 4.733 4.350 -0.013 0.000 0.270 88 E C -1.390 175.084 176.600 -0.209 0.000 0.882 88 E CA -0.408 56.036 56.400 0.072 0.000 0.758 88 E CB 1.789 31.512 29.700 0.038 0.000 1.195 88 E HN -0.156 nan 8.360 nan 0.000 0.419 89 F N 2.284 122.338 119.950 0.173 0.000 2.716 89 F HA 0.180 4.699 4.527 -0.013 0.000 0.354 89 F C -0.827 175.052 175.800 0.131 0.000 1.168 89 F CA -0.788 57.301 58.000 0.147 0.000 1.045 89 F CB 0.963 40.042 39.000 0.131 0.000 1.311 89 F HN 0.484 nan 8.300 nan 0.000 0.477 90 Y N 5.282 125.650 120.300 0.114 0.000 2.714 90 Y HA 0.232 4.775 4.550 -0.012 0.000 0.333 90 Y C 0.858 176.773 175.900 0.024 0.000 1.220 90 Y CA -1.053 57.066 58.100 0.031 0.000 1.513 90 Y CB 0.380 38.839 38.460 -0.001 0.000 1.435 90 Y HN 0.552 nan 8.280 nan 0.000 0.489 91 M N 1.685 121.434 119.600 0.248 0.000 2.334 91 M HA 0.137 4.610 4.480 -0.013 0.000 0.266 91 M C 1.549 177.832 176.300 -0.029 0.000 1.082 91 M CA 1.075 56.419 55.300 0.073 0.000 1.141 91 M CB -1.168 31.449 32.600 0.027 0.000 1.380 91 M HN 0.703 nan 8.290 nan 0.000 0.440 92 G N 1.240 110.043 108.800 0.006 0.000 2.562 92 G HA2 -0.271 3.681 3.960 -0.013 0.000 0.250 92 G HA3 -0.271 3.681 3.960 -0.013 0.000 0.250 92 G C -0.257 174.601 174.900 -0.070 0.000 1.269 92 G CA -0.315 44.742 45.100 -0.071 0.000 0.919 92 G HN 0.433 nan 8.290 nan 0.000 0.574 93 R N -0.687 119.748 120.500 -0.108 0.000 2.582 93 R HA 0.556 4.888 4.340 -0.013 0.000 0.271 93 R C 1.106 177.275 176.300 -0.218 0.000 1.078 93 R CA 0.396 56.435 56.100 -0.102 0.000 1.127 93 R CB 0.654 30.902 30.300 -0.087 0.000 1.038 93 R HN 0.525 nan 8.270 nan 0.000 0.500 94 T N 1.172 115.529 114.554 -0.328 0.000 2.978 94 T HA -0.003 4.339 4.350 -0.013 0.000 0.248 94 T C 1.405 175.670 174.700 -0.725 0.000 1.018 94 T CA -0.145 61.535 62.100 -0.700 0.000 1.026 94 T CB 0.144 68.210 68.868 -1.336 0.000 1.032 94 T HN 0.312 nan 8.240 nan 0.000 0.485 95 L N 1.932 122.955 121.223 -0.334 0.000 1.976 95 L HA -0.018 4.314 4.340 -0.013 0.000 0.209 95 L C 2.464 179.284 176.870 -0.082 0.000 1.071 95 L CA 2.010 56.828 54.840 -0.036 0.000 0.746 95 L CB -0.660 41.612 42.059 0.356 0.000 0.890 95 L HN 0.177 nan 8.230 nan 0.000 0.432 96 Q N -0.766 118.988 119.800 -0.076 0.000 2.084 96 Q HA -0.251 4.082 4.340 -0.013 0.000 0.202 96 Q C 2.230 178.152 176.000 -0.130 0.000 0.978 96 Q CA 1.842 57.597 55.803 -0.080 0.000 0.844 96 Q CB -0.295 28.395 28.738 -0.080 0.000 0.898 96 Q HN 0.698 nan 8.270 nan 0.000 0.426 97 N N -1.018 117.562 118.700 -0.199 0.000 2.104 97 N HA -0.151 4.581 4.740 -0.013 0.000 0.190 97 N C 1.372 176.767 175.510 -0.192 0.000 1.024 97 N CA 1.797 54.721 53.050 -0.210 0.000 0.853 97 N CB 0.067 38.394 38.487 -0.266 0.000 1.008 97 N HN 0.222 nan 8.380 nan 0.000 0.424 98 T N 1.350 115.753 114.554 -0.252 0.000 2.708 98 T HA -0.075 4.267 4.350 -0.013 0.000 0.266 98 T C 2.077 176.710 174.700 -0.112 0.000 1.037 98 T CA 1.125 63.100 62.100 -0.208 0.000 1.146 98 T CB -0.094 68.612 68.868 -0.271 0.000 0.865 98 T HN 0.264 nan 8.240 nan 0.000 0.435 99 M N 0.600 120.151 119.600 -0.083 0.000 2.086 99 M HA -0.101 4.372 4.480 -0.013 0.000 0.261 99 M C 2.505 178.768 176.300 -0.062 0.000 1.067 99 M CA 1.322 56.588 55.300 -0.057 0.000 1.116 99 M CB -0.722 31.861 32.600 -0.028 0.000 1.348 99 M HN 0.098 nan 8.290 nan 0.000 0.407 100 V N 1.008 120.891 119.914 -0.052 0.000 2.287 100 V HA -0.284 3.828 4.120 -0.013 0.000 0.248 100 V C 1.782 177.880 176.094 0.006 0.000 1.053 100 V CA 2.039 64.335 62.300 -0.008 0.000 1.027 100 V CB -0.900 30.922 31.823 -0.001 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.421 118.268 118.700 -0.018 0.000 2.459 101 N HA -0.041 4.691 4.740 -0.013 0.000 0.181 101 N C 1.053 176.464 175.510 -0.165 0.000 1.046 101 N CA 0.712 53.734 53.050 -0.047 0.000 0.904 101 N CB -0.093 38.375 38.487 -0.032 0.000 0.964 101 N HN 0.293 nan 8.380 nan 0.000 0.444 102 L N -0.337 120.806 121.223 -0.134 0.000 2.640 102 L HA 0.412 4.745 4.340 -0.013 0.000 0.230 102 L C 0.561 177.343 176.870 -0.147 0.000 1.123 102 L CA -0.240 54.519 54.840 -0.135 0.000 0.900 102 L CB -0.667 41.334 42.059 -0.096 0.000 1.146 102 L HN 0.088 nan 8.230 nan 0.000 0.484 103 A N -0.492 122.238 122.820 -0.150 0.000 2.869 103 A HA -0.212 4.100 4.320 -0.013 0.000 0.280 103 A C 1.019 178.543 177.584 -0.101 0.000 1.458 103 A CA 0.913 52.875 52.037 -0.125 0.000 0.776 103 A CB -1.924 16.990 19.000 -0.144 0.000 1.028 103 A HN 0.202 nan 8.150 nan 0.000 0.547 104 L N -0.814 120.349 121.223 -0.099 0.000 2.693 104 L HA 0.254 4.586 4.340 -0.013 0.000 0.235 104 L C 1.823 178.655 176.870 -0.064 0.000 1.127 104 L CA 1.506 56.283 54.840 -0.106 0.000 0.914 104 L CB -0.304 41.661 42.059 -0.157 0.000 1.193 104 L HN 0.643 nan 8.230 nan 0.000 0.502 105 E N -0.108 120.064 120.200 -0.047 0.000 2.031 105 E HA -0.226 4.116 4.350 -0.013 0.000 0.193 105 E C 1.590 178.177 176.600 -0.022 0.000 0.994 105 E CA 1.373 57.757 56.400 -0.027 0.000 0.800 105 E CB 0.284 29.971 29.700 -0.022 0.000 0.752 105 E HN 0.395 nan 8.360 nan 0.000 0.447 106 N N 0.184 118.868 118.700 -0.027 0.000 2.120 106 N HA -0.137 4.595 4.740 -0.013 0.000 0.188 106 N C 1.608 177.104 175.510 -0.024 0.000 1.024 106 N CA 1.261 54.295 53.050 -0.027 0.000 0.852 106 N CB -0.441 38.029 38.487 -0.028 0.000 1.003 106 N HN 0.226 nan 8.380 nan 0.000 0.424 107 A N 0.549 123.352 122.820 -0.028 0.000 1.883 107 A HA -0.170 4.142 4.320 -0.013 0.000 0.217 107 A C 2.687 180.265 177.584 -0.010 0.000 1.186 107 A CA 1.515 53.539 52.037 -0.022 0.000 0.624 107 A CB -1.074 17.905 19.000 -0.036 0.000 0.822 107 A HN 0.454 nan 8.150 nan 0.000 0.444 108 C N -0.914 118.380 119.300 -0.010 0.000 2.440 108 C HA -0.066 4.386 4.460 -0.013 0.000 0.278 108 C C 2.475 177.470 174.990 0.008 0.000 1.295 108 C CA 1.055 60.080 59.018 0.010 0.000 1.738 108 C CB -1.154 26.603 27.740 0.029 0.000 1.987 108 C HN 0.690 nan 8.230 nan 0.000 0.492 109 D N 0.720 121.123 120.400 0.005 0.000 2.104 109 D HA -0.150 4.482 4.640 -0.013 0.000 0.194 109 D C 2.117 178.431 176.300 0.024 0.000 0.994 109 D CA 1.585 55.590 54.000 0.008 0.000 0.830 109 D CB -0.264 40.528 40.800 -0.012 0.000 0.959 109 D HN 0.476 nan 8.370 nan 0.000 0.452 110 E N 0.268 120.475 120.200 0.012 0.000 2.031 110 E HA -0.078 4.265 4.350 -0.013 0.000 0.193 110 E C 1.913 178.549 176.600 0.061 0.000 0.994 110 E CA 1.688 58.114 56.400 0.043 0.000 0.800 110 E CB -0.623 29.087 29.700 0.015 0.000 0.752 110 E HN 0.210 nan 8.360 nan 0.000 0.447 111 A N -0.103 122.722 122.820 0.009 0.000 1.892 111 A HA -0.252 4.061 4.320 -0.013 0.000 0.218 111 A C 2.512 180.026 177.584 -0.116 0.000 1.188 111 A CA 3.117 55.133 52.037 -0.035 0.000 0.631 111 A CB -1.557 17.428 19.000 -0.026 0.000 0.822 111 A HN 0.540 nan 8.150 nan 0.000 0.447 112 T N -3.719 110.760 114.554 -0.124 0.000 2.821 112 T HA -0.214 4.128 4.350 -0.013 0.000 0.267 112 T C 1.855 176.478 174.700 -0.130 0.000 1.046 112 T CA 1.513 63.482 62.100 -0.218 0.000 1.139 112 T CB -0.632 68.147 68.868 -0.148 0.000 0.871 112 T HN 0.462 nan 8.240 nan 0.000 0.454 113 Y N 2.312 122.535 120.300 -0.128 0.000 2.128 113 Y HA -0.160 4.383 4.550 -0.012 0.000 0.284 113 Y C 2.635 178.474 175.900 -0.100 0.000 1.154 113 Y CA 1.746 59.789 58.100 -0.095 0.000 1.149 113 Y CB -0.564 37.858 38.460 -0.062 0.000 0.976 113 Y HN 0.261 nan 8.280 nan 0.000 0.505 114 Q N -0.984 118.747 119.800 -0.114 0.000 2.291 114 Q HA -0.117 4.216 4.340 -0.013 0.000 0.205 114 Q C 1.534 177.406 176.000 -0.214 0.000 0.970 114 Q CA 0.841 56.537 55.803 -0.177 0.000 0.876 114 Q CB -0.052 28.657 28.738 -0.048 0.000 0.935 114 Q HN 0.364 nan 8.270 nan 0.000 0.455 115 L N -1.083 119.995 121.223 -0.243 0.000 2.591 115 L HA 0.149 4.481 4.340 -0.013 0.000 0.228 115 L C 1.138 177.839 176.870 -0.281 0.000 1.133 115 L CA 1.205 55.882 54.840 -0.272 0.000 0.880 115 L CB -0.208 41.602 42.059 -0.415 0.000 1.033 115 L HN 0.304 nan 8.230 nan 0.000 0.450 116 G N -0.230 108.390 108.800 -0.299 0.000 2.142 116 G HA2 -0.227 3.725 3.960 -0.013 0.000 0.225 116 G HA3 -0.227 3.725 3.960 -0.013 0.000 0.225 116 G C -0.004 174.763 174.900 -0.222 0.000 1.015 116 G CA 0.157 45.095 45.100 -0.270 0.000 0.716 116 G HN 0.256 nan 8.290 nan 0.000 0.508 117 L N -0.148 120.943 121.223 -0.219 0.000 2.354 117 L HA 0.599 4.931 4.340 -0.013 0.000 0.269 117 L C -0.602 176.242 176.870 -0.043 0.000 1.005 117 L CA -1.198 53.548 54.840 -0.158 0.000 0.819 117 L CB 1.917 43.821 42.059 -0.258 0.000 1.311 117 L HN 0.066 nan 8.230 nan 0.000 0.423 118 D N 2.167 122.572 120.400 0.010 0.000 2.347 118 D HA 0.174 4.807 4.640 -0.013 0.000 0.235 118 D C 0.620 176.955 176.300 0.058 0.000 1.149 118 D CA -0.154 53.878 54.000 0.053 0.000 0.850 118 D CB 1.527 42.364 40.800 0.060 0.000 1.061 118 D HN 0.510 nan 8.370 nan 0.000 0.487 119 M N 3.197 122.832 119.600 0.058 0.000 2.159 119 M HA -0.136 4.336 4.480 -0.013 0.000 0.263 119 M C 1.329 177.676 176.300 0.078 0.000 1.063 119 M CA 1.482 56.825 55.300 0.072 0.000 1.110 119 M CB 0.202 32.837 32.600 0.058 0.000 1.374 119 M HN 0.420 nan 8.290 nan 0.000 0.411 120 E N -0.147 120.089 120.200 0.060 0.000 2.110 120 E HA -0.265 4.077 4.350 -0.013 0.000 0.193 120 E C 1.845 178.481 176.600 0.061 0.000 0.988 120 E CA 1.459 57.891 56.400 0.053 0.000 0.804 120 E CB -0.201 29.527 29.700 0.046 0.000 0.745 120 E HN 0.641 nan 8.360 nan 0.000 0.458 121 E N 0.542 120.783 120.200 0.069 0.000 2.072 121 E HA -0.197 4.145 4.350 -0.013 0.000 0.191 121 E C 1.933 178.581 176.600 0.080 0.000 0.985 121 E CA 0.613 57.056 56.400 0.072 0.000 0.801 121 E CB 0.162 29.908 29.700 0.075 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.452 122 L N 1.542 122.835 121.223 0.116 0.000 2.083 122 L HA -0.137 4.195 4.340 -0.013 0.000 0.209 122 L C 2.100 179.040 176.870 0.117 0.000 1.083 122 L CA 1.637 56.580 54.840 0.173 0.000 0.752 122 L CB -0.752 41.460 42.059 0.255 0.000 0.899 122 L HN 0.158 nan 8.230 nan 0.000 0.433 123 E N -0.714 119.541 120.200 0.093 0.000 2.153 123 E HA -0.193 4.149 4.350 -0.013 0.000 0.194 123 E C 1.835 178.401 176.600 -0.056 0.000 0.988 123 E CA 0.766 57.191 56.400 0.042 0.000 0.811 123 E CB 0.020 29.748 29.700 0.046 0.000 0.746 123 E HN 0.410 nan 8.360 nan 0.000 0.466 124 E N 0.317 120.498 120.200 -0.031 0.000 2.338 124 E HA -0.115 4.227 4.350 -0.013 0.000 0.197 124 E C 1.877 178.415 176.600 -0.102 0.000 1.007 124 E CA 0.562 56.942 56.400 -0.033 0.000 0.849 124 E CB 0.020 29.737 29.700 0.028 0.000 0.774 124 E HN 0.412 nan 8.360 nan 0.000 0.506 125 I N 0.844 121.291 120.570 -0.205 0.000 2.617 125 I HA -0.114 4.049 4.170 -0.013 0.000 0.256 125 I C 1.391 177.200 176.117 -0.514 0.000 1.167 125 I CA 0.241 61.350 61.300 -0.318 0.000 1.469 125 I CB 0.065 37.885 38.000 -0.299 0.000 1.098 125 I HN -0.017 nan 8.210 nan 0.000 0.436 126 E N 2.780 122.552 120.200 -0.713 0.000 2.415 126 E HA -0.043 4.299 4.350 -0.013 0.000 0.263 126 E C -0.256 176.251 176.600 -0.155 0.000 0.995 126 E CA -0.223 55.825 56.400 -0.588 0.000 0.915 126 E CB 0.608 30.088 29.700 -0.366 0.000 0.951 126 E HN 0.108 nan 8.360 nan 0.000 0.449 127 E N 3.567 123.773 120.200 0.010 0.000 2.354 127 E HA 0.057 4.399 4.350 -0.013 0.000 0.269 127 E C -0.720 175.981 176.600 0.169 0.000 1.036 127 E CA -0.226 56.264 56.400 0.150 0.000 0.876 127 E CB 0.615 30.499 29.700 0.305 0.000 1.009 127 E HN 0.482 nan 8.360 nan 0.000 0.416 128 D N 0.844 121.319 120.400 0.125 0.000 2.455 128 D HA 0.142 4.774 4.640 -0.013 0.000 0.241 128 D C -0.297 176.045 176.300 0.070 0.000 1.138 128 D CA 0.217 54.269 54.000 0.087 0.000 0.877 128 D CB 0.549 41.394 40.800 0.075 0.000 1.187 128 D HN 0.398 nan 8.370 nan 0.000 0.451 129 A N 2.422 125.235 122.820 -0.011 0.000 2.539 129 A HA 0.472 4.784 4.320 -0.013 0.000 0.306 129 A C 1.025 178.450 177.584 -0.265 0.000 1.392 129 A CA -0.361 51.459 52.037 -0.361 0.000 1.060 129 A CB -0.197 18.667 19.000 -0.226 0.000 1.134 129 A HN 0.543 nan 8.150 nan 0.000 0.542 130 G N 2.266 110.822 108.800 -0.406 0.000 3.943 130 G HA2 0.421 4.373 3.960 -0.013 0.000 0.275 130 G HA3 0.421 4.373 3.960 -0.013 0.000 0.275 130 G C 0.280 174.850 174.900 -0.549 0.000 1.234 130 G CA -0.311 44.577 45.100 -0.354 0.000 1.522 130 G HN 0.692 nan 8.290 nan 0.000 0.636 131 L N 1.381 122.370 121.223 -0.391 0.000 2.939 131 L HA 0.394 4.727 4.340 -0.013 0.000 0.239 131 L C 1.014 177.795 176.870 -0.149 0.000 1.325 131 L CA -0.183 54.557 54.840 -0.166 0.000 1.170 131 L CB -0.382 41.717 42.059 0.067 0.000 1.538 131 L HN 0.326 nan 8.230 nan 0.000 0.452 132 G N -1.259 107.235 108.800 -0.510 0.000 2.623 132 G HA2 0.174 4.126 3.960 -0.013 0.000 0.290 132 G HA3 0.174 4.126 3.960 -0.013 0.000 0.290 132 G C -0.204 174.346 174.900 -0.584 0.000 1.437 132 G CA -0.468 44.384 45.100 -0.413 0.000 0.798 132 G HN -0.082 nan 8.290 nan 0.000 0.488 133 N N -0.852 117.724 118.700 -0.207 0.000 2.436 133 N HA 0.224 4.956 4.740 -0.013 0.000 0.178 133 N C 1.160 176.732 175.510 0.104 0.000 1.026 133 N CA 1.334 54.335 53.050 -0.082 0.000 0.880 133 N CB 1.225 39.729 38.487 0.028 0.000 1.061 133 N HN 0.843 nan 8.380 nan 0.000 0.434 134 G N -0.708 108.209 108.800 0.195 0.000 2.947 134 G HA2 0.202 4.154 3.960 -0.013 0.000 0.115 134 G HA3 0.202 4.154 3.960 -0.013 0.000 0.115 134 G C 0.717 175.716 174.900 0.165 0.000 1.214 134 G CA 0.258 45.502 45.100 0.239 0.000 1.324 134 G HN 0.167 nan 8.290 nan 0.000 0.645 135 G N 0.414 109.267 108.800 0.088 0.000 2.446 135 G HA2 -0.070 3.882 3.960 -0.013 0.000 0.217 135 G HA3 -0.070 3.882 3.960 -0.013 0.000 0.217 135 G C 1.889 176.767 174.900 -0.037 0.000 1.168 135 G CA 1.526 46.637 45.100 0.019 0.000 0.771 135 G HN 0.790 nan 8.290 nan 0.000 0.551 136 L N 0.629 121.804 121.223 -0.079 0.000 2.017 136 L HA 0.083 4.415 4.340 -0.013 0.000 0.208 136 L C 2.841 179.627 176.870 -0.142 0.000 1.073 136 L CA 2.097 56.795 54.840 -0.238 0.000 0.745 136 L CB -0.625 41.247 42.059 -0.312 0.000 0.894 136 L HN 0.229 nan 8.230 nan 0.000 0.432 137 G N -0.679 108.106 108.800 -0.025 0.000 2.402 137 G HA2 -0.274 3.678 3.960 -0.013 0.000 0.216 137 G HA3 -0.274 3.678 3.960 -0.013 0.000 0.216 137 G C 1.690 176.645 174.900 0.092 0.000 1.162 137 G CA 0.461 45.578 45.100 0.029 0.000 0.777 137 G HN 0.214 nan 8.290 nan 0.000 0.539 138 R N 0.171 120.741 120.500 0.117 0.000 2.092 138 R HA 0.092 4.424 4.340 -0.013 0.000 0.231 138 R C 2.455 178.747 176.300 -0.014 0.000 1.119 138 R CA 0.791 56.936 56.100 0.075 0.000 0.970 138 R CB -1.059 29.252 30.300 0.017 0.000 0.864 138 R HN 0.391 nan 8.270 nan 0.000 0.440 139 L N 0.593 121.737 121.223 -0.130 0.000 2.046 139 L HA -0.074 4.258 4.340 -0.013 0.000 0.208 139 L C 2.199 178.766 176.870 -0.504 0.000 1.077 139 L CA 2.201 56.818 54.840 -0.372 0.000 0.747 139 L CB -0.795 41.009 42.059 -0.425 0.000 0.896 139 L HN 0.202 nan 8.230 nan 0.000 0.432 140 A N -0.575 122.088 122.820 -0.261 0.000 1.908 140 A HA -0.202 4.110 4.320 -0.013 0.000 0.218 140 A C 2.441 180.074 177.584 0.081 0.000 1.181 140 A CA 2.058 54.016 52.037 -0.131 0.000 0.627 140 A CB -1.195 17.684 19.000 -0.201 0.000 0.818 140 A HN 0.582 nan 8.150 nan 0.000 0.445 141 A N -1.083 121.818 122.820 0.136 0.000 1.873 141 A HA -0.155 4.157 4.320 -0.013 0.000 0.215 141 A C 2.331 179.985 177.584 0.118 0.000 1.186 141 A CA 1.641 53.782 52.037 0.175 0.000 0.616 141 A CB -1.308 17.783 19.000 0.152 0.000 0.823 141 A HN 0.607 nan 8.150 nan 0.000 0.442 142 C N -1.440 117.928 119.300 0.114 0.000 2.413 142 C HA -0.088 4.364 4.460 -0.013 0.000 0.276 142 C C 2.441 177.593 174.990 0.269 0.000 1.248 142 C CA 0.713 59.839 59.018 0.181 0.000 1.742 142 C CB -1.649 26.218 27.740 0.211 0.000 2.017 142 C HN 0.601 nan 8.230 nan 0.000 0.481 143 F N 1.201 121.132 119.950 -0.031 0.000 2.126 143 F HA -0.087 4.432 4.527 -0.013 0.000 0.299 143 F C 2.247 177.982 175.800 -0.110 0.000 1.096 143 F CA 1.069 58.998 58.000 -0.119 0.000 1.255 143 F CB -1.389 37.405 39.000 -0.344 0.000 0.997 143 F HN 0.199 nan 8.300 nan 0.000 0.479 144 L N -0.415 120.874 121.223 0.110 0.000 2.046 144 L HA -0.253 4.080 4.340 -0.013 0.000 0.208 144 L C 2.159 179.036 176.870 0.011 0.000 1.077 144 L CA 1.948 56.809 54.840 0.036 0.000 0.747 144 L CB -0.805 41.278 42.059 0.039 0.000 0.896 144 L HN 0.107 nan 8.230 nan 0.000 0.432 145 D N -0.450 119.967 120.400 0.029 0.000 2.097 145 D HA -0.178 4.454 4.640 -0.013 0.000 0.195 145 D C 2.202 178.515 176.300 0.022 0.000 0.989 145 D CA 1.530 55.534 54.000 0.007 0.000 0.827 145 D CB 0.197 41.000 40.800 0.006 0.000 0.966 145 D HN 0.090 nan 8.370 nan 0.000 0.456 146 S N -0.741 114.990 115.700 0.051 0.000 2.383 146 S HA -0.098 4.364 4.470 -0.013 0.000 0.227 146 S C 1.985 176.597 174.600 0.020 0.000 1.026 146 S CA 0.835 59.058 58.200 0.039 0.000 0.981 146 S CB -0.209 63.021 63.200 0.050 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.976 120.580 119.600 0.007 0.000 2.159 147 M HA -0.086 4.387 4.480 -0.013 0.000 0.263 147 M C 2.463 178.761 176.300 -0.003 0.000 1.063 147 M CA 1.386 56.686 55.300 -0.000 0.000 1.110 147 M CB -0.513 32.066 32.600 -0.035 0.000 1.374 147 M HN 0.394 nan 8.290 nan 0.000 0.411 148 A N -0.210 122.604 122.820 -0.010 0.000 1.898 148 A HA -0.125 4.188 4.320 -0.013 0.000 0.216 148 A C 2.174 179.769 177.584 0.019 0.000 1.181 148 A CA 2.062 54.097 52.037 -0.003 0.000 0.620 148 A CB -1.084 17.896 19.000 -0.032 0.000 0.819 148 A HN 0.418 nan 8.150 nan 0.000 0.442 149 T N 0.233 114.803 114.554 0.027 0.000 2.833 149 T HA -0.015 4.328 4.350 -0.013 0.000 0.269 149 T C 1.357 176.085 174.700 0.047 0.000 1.054 149 T CA 1.200 63.330 62.100 0.051 0.000 1.135 149 T CB -0.271 68.634 68.868 0.062 0.000 0.869 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.386 121.633 121.223 0.040 0.000 2.629 150 L HA 0.304 4.637 4.340 -0.013 0.000 0.230 150 L C 1.612 178.512 176.870 0.051 0.000 1.151 150 L CA -0.051 54.815 54.840 0.044 0.000 0.924 150 L CB -0.289 41.796 42.059 0.043 0.000 1.137 150 L HN 0.401 nan 8.230 nan 0.000 0.457 151 G N 0.982 109.815 108.800 0.054 0.000 2.221 151 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.265 151 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.265 151 G C 0.089 175.039 174.900 0.082 0.000 1.041 151 G CA -0.008 45.142 45.100 0.082 0.000 0.807 151 G HN 0.272 nan 8.290 nan 0.000 0.502 152 L N -0.113 121.127 121.223 0.029 0.000 2.350 152 L HA 0.623 4.955 4.340 -0.013 0.000 0.275 152 L C 1.238 177.990 176.870 -0.197 0.000 1.099 152 L CA -0.383 54.427 54.840 -0.051 0.000 0.808 152 L CB 1.562 43.600 42.059 -0.035 0.000 1.149 152 L HN 0.259 nan 8.230 nan 0.000 0.442 153 A N 2.979 125.542 122.820 -0.428 0.000 2.981 153 A HA 0.543 4.856 4.320 -0.013 0.000 0.280 153 A C 0.298 177.506 177.584 -0.626 0.000 1.743 153 A CA -0.112 51.363 52.037 -0.938 0.000 1.430 153 A CB -0.729 17.629 19.000 -1.071 0.000 1.085 153 A HN 0.697 nan 8.150 nan 0.000 0.597 154 A N 1.710 124.204 122.820 -0.543 0.000 2.350 154 A HA 0.794 5.107 4.320 -0.013 0.000 0.324 154 A C -1.032 176.261 177.584 -0.485 0.000 1.118 154 A CA -0.469 51.327 52.037 -0.402 0.000 0.783 154 A CB 0.819 19.666 19.000 -0.256 0.000 1.236 154 A HN 0.626 nan 8.150 nan 0.000 0.457 155 Y N 0.366 120.582 120.300 -0.141 0.000 2.406 155 Y HA 0.546 5.089 4.550 -0.013 0.000 0.340 155 Y C 0.828 176.814 175.900 0.144 0.000 0.975 155 Y CA -0.574 57.526 58.100 -0.000 0.000 1.056 155 Y CB 2.462 41.015 38.460 0.156 0.000 1.210 155 Y HN 0.833 nan 8.280 nan 0.000 0.448 156 G N 2.170 111.052 108.800 0.137 0.000 2.338 156 G HA2 0.468 4.420 3.960 -0.013 0.000 0.298 156 G HA3 0.468 4.420 3.960 -0.013 0.000 0.298 156 G C -1.774 173.134 174.900 0.012 0.000 1.140 156 G CA -0.276 44.929 45.100 0.176 0.000 0.860 156 G HN 0.533 nan 8.290 nan 0.000 0.470 157 Y N 0.993 121.509 120.300 0.361 0.000 2.361 157 Y HA 0.631 5.173 4.550 -0.013 0.000 0.337 157 Y C 0.741 176.946 175.900 0.508 0.000 0.965 157 Y CA 0.152 58.439 58.100 0.312 0.000 1.091 157 Y CB 2.712 41.390 38.460 0.364 0.000 1.182 157 Y HN 0.884 nan 8.280 nan 0.000 0.450 158 G N 2.291 111.406 108.800 0.525 0.000 2.753 158 G HA2 0.592 4.544 3.960 -0.013 0.000 0.303 158 G HA3 0.592 4.544 3.960 -0.013 0.000 0.303 158 G C -1.805 173.331 174.900 0.394 0.000 1.242 158 G CA -0.830 44.613 45.100 0.572 0.000 0.810 158 G HN 0.430 nan 8.290 nan 0.000 0.515 159 I N 0.602 121.302 120.570 0.216 0.000 2.441 159 I HA 0.427 4.589 4.170 -0.013 0.000 0.295 159 I C 0.387 176.406 176.117 -0.163 0.000 0.994 159 I CA -0.703 60.606 61.300 0.016 0.000 1.144 159 I CB 2.168 39.998 38.000 -0.283 0.000 1.314 159 I HN 0.345 nan 8.210 nan 0.000 0.445 160 R N 6.246 126.748 120.500 0.003 0.000 2.612 160 R HA 0.207 4.539 4.340 -0.013 0.000 0.273 160 R C -1.225 175.112 176.300 0.061 0.000 1.376 160 R CA -0.413 55.718 56.100 0.051 0.000 1.171 160 R CB -0.076 30.225 30.300 0.002 0.000 1.151 160 R HN 0.400 nan 8.270 nan 0.000 0.560 161 Y N 1.526 121.982 120.300 0.259 0.000 2.511 161 Y HA -0.088 4.454 4.550 -0.013 0.000 0.332 161 Y C 1.593 177.672 175.900 0.298 0.000 1.177 161 Y CA 0.101 58.345 58.100 0.240 0.000 1.422 161 Y CB 0.751 39.329 38.460 0.196 0.000 1.271 161 Y HN 0.589 nan 8.280 nan 0.000 0.550 162 E N 2.183 122.559 120.200 0.292 0.000 2.106 162 E HA -0.077 4.265 4.350 -0.013 0.000 0.192 162 E C -0.721 175.754 176.600 -0.208 0.000 0.984 162 E CA 0.731 57.105 56.400 -0.045 0.000 0.806 162 E CB 0.165 29.746 29.700 -0.198 0.000 0.750 162 E HN 0.505 nan 8.360 nan 0.000 0.458 163 F N -0.268 119.900 119.950 0.362 0.000 2.477 163 F HA 0.449 4.968 4.527 -0.013 0.000 0.335 163 F C 0.781 176.672 175.800 0.152 0.000 1.130 163 F CA -0.829 57.342 58.000 0.285 0.000 0.948 163 F CB 1.879 40.977 39.000 0.162 0.000 1.154 163 F HN -0.100 nan 8.300 nan 0.000 0.439 164 G N 1.832 110.737 108.800 0.176 0.000 2.531 164 G HA2 0.355 4.307 3.960 -0.013 0.000 0.253 164 G HA3 0.355 4.307 3.960 -0.013 0.000 0.253 164 G C -0.553 174.291 174.900 -0.094 0.000 1.439 164 G CA -0.693 44.342 45.100 -0.109 0.000 1.056 164 G HN 0.539 nan 8.290 nan 0.000 0.555 165 I N 0.980 121.403 120.570 -0.244 0.000 2.752 165 I HA 0.188 4.350 4.170 -0.013 0.000 0.289 165 I C 0.549 176.556 176.117 -0.183 0.000 1.197 165 I CA -1.137 59.995 61.300 -0.280 0.000 1.432 165 I CB -0.374 37.354 38.000 -0.453 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.201 126.156 119.950 0.008 0.000 2.628 166 F HA 0.222 4.741 4.527 -0.013 0.000 0.362 166 F C 0.576 176.423 175.800 0.079 0.000 1.148 166 F CA -0.594 57.435 58.000 0.049 0.000 1.352 166 F CB -0.405 38.614 39.000 0.031 0.000 1.081 166 F HN 0.425 nan 8.300 nan 0.000 0.605 167 N N 2.375 121.247 118.700 0.286 0.000 2.497 167 N HA 0.029 4.762 4.740 -0.013 0.000 0.271 167 N C -0.705 175.035 175.510 0.384 0.000 1.142 167 N CA -0.221 52.976 53.050 0.245 0.000 0.965 167 N CB 1.071 39.687 38.487 0.216 0.000 1.077 167 N HN 0.761 nan 8.380 nan 0.000 0.462 168 Q N 2.495 122.495 119.800 0.334 0.000 2.296 168 Q HA 0.159 4.491 4.340 -0.013 0.000 0.257 168 Q C -0.915 175.250 176.000 0.275 0.000 0.942 168 Q CA -0.411 55.620 55.803 0.381 0.000 0.939 168 Q CB 0.678 29.646 28.738 0.382 0.000 1.198 168 Q HN 0.235 nan 8.270 nan 0.000 0.429 169 K N 4.167 124.705 120.400 0.230 0.000 2.164 169 K HA 0.464 4.776 4.320 -0.013 0.000 0.258 169 K C -0.585 176.114 176.600 0.164 0.000 0.951 169 K CA -0.889 55.510 56.287 0.186 0.000 0.844 169 K CB 1.508 34.097 32.500 0.147 0.000 1.099 169 K HN 0.625 nan 8.250 nan 0.000 0.435 170 I N 2.582 123.241 120.570 0.148 0.000 2.330 170 I HA 0.212 4.374 4.170 -0.013 0.000 0.289 170 I C -0.318 175.854 176.117 0.091 0.000 1.001 170 I CA -0.667 60.692 61.300 0.098 0.000 1.193 170 I CB 0.726 38.767 38.000 0.069 0.000 1.345 170 I HN 0.432 nan 8.210 nan 0.000 0.461 171 C N 3.924 123.287 119.300 0.106 0.000 2.346 171 C HA 0.590 5.043 4.460 -0.013 0.000 0.326 171 C C 1.133 176.219 174.990 0.161 0.000 1.224 171 C CA -0.577 58.509 59.018 0.113 0.000 1.408 171 C CB 0.551 28.355 27.740 0.105 0.000 2.089 171 C HN 1.091 nan 8.230 nan 0.000 0.456 172 G N 2.335 111.201 108.800 0.109 0.000 2.283 172 G HA2 0.128 4.080 3.960 -0.013 0.000 0.280 172 G HA3 0.128 4.080 3.960 -0.013 0.000 0.280 172 G C 1.118 176.010 174.900 -0.013 0.000 1.029 172 G CA 1.036 46.204 45.100 0.113 0.000 0.840 172 G HN 2.413 nan 8.290 nan 0.000 0.505 173 G N -2.814 105.924 108.800 -0.102 0.000 2.199 173 G HA2 -0.298 3.654 3.960 -0.013 0.000 0.254 173 G HA3 -0.298 3.654 3.960 -0.013 0.000 0.254 173 G C 0.383 175.025 174.900 -0.430 0.000 0.982 173 G CA 0.605 45.518 45.100 -0.311 0.000 0.632 173 G HN 1.185 nan 8.290 nan 0.000 0.529 174 W N 1.199 122.445 121.300 -0.090 0.000 2.438 174 W HA 0.645 5.298 4.660 -0.013 0.000 0.324 174 W C 0.700 177.166 176.519 -0.087 0.000 1.119 174 W CA -0.854 56.433 57.345 -0.097 0.000 1.221 174 W CB 0.829 30.249 29.460 -0.066 0.000 1.253 174 W HN 0.259 nan 8.180 nan 0.000 0.555 175 Q N 3.587 123.480 119.800 0.155 0.000 2.289 175 Q HA 0.148 4.480 4.340 -0.013 0.000 0.273 175 Q C -0.485 175.574 176.000 0.099 0.000 1.029 175 Q CA 0.265 56.132 55.803 0.107 0.000 0.896 175 Q CB 0.499 29.293 28.738 0.093 0.000 1.182 175 Q HN 0.330 nan 8.270 nan 0.000 0.385 176 M N 3.188 122.841 119.600 0.088 0.000 2.456 176 M HA 0.385 4.857 4.480 -0.013 0.000 0.324 176 M C -0.989 175.323 176.300 0.021 0.000 1.124 176 M CA -0.689 54.630 55.300 0.033 0.000 0.959 176 M CB 1.762 34.393 32.600 0.051 0.000 1.692 176 M HN 0.590 nan 8.290 nan 0.000 0.444 177 E N 1.678 121.821 120.200 -0.095 0.000 2.191 177 E HA 0.455 4.798 4.350 -0.013 0.000 0.278 177 E C -0.757 175.839 176.600 -0.007 0.000 0.972 177 E CA -0.560 55.756 56.400 -0.140 0.000 0.804 177 E CB 1.568 30.929 29.700 -0.565 0.000 1.110 177 E HN 0.514 nan 8.360 nan 0.000 0.394 178 E N 0.777 121.049 120.200 0.120 0.000 2.343 178 E HA 0.735 5.077 4.350 -0.013 0.000 0.270 178 E C -1.042 175.649 176.600 0.151 0.000 0.895 178 E CA -1.581 54.879 56.400 0.099 0.000 0.767 178 E CB 1.425 31.187 29.700 0.103 0.000 1.248 178 E HN 0.439 nan 8.360 nan 0.000 0.440 179 A N 1.835 124.704 122.820 0.080 0.000 2.546 179 A HA 0.042 4.354 4.320 -0.013 0.000 0.243 179 A C -0.100 177.657 177.584 0.290 0.000 1.063 179 A CA 0.208 52.305 52.037 0.099 0.000 0.757 179 A CB -0.122 18.797 19.000 -0.134 0.000 0.991 179 A HN 0.689 nan 8.150 nan 0.000 0.503 180 D N 1.893 122.531 120.400 0.397 0.000 2.517 180 D HA 0.176 4.808 4.640 -0.013 0.000 0.220 180 D C -0.377 176.254 176.300 0.552 0.000 1.158 180 D CA -0.168 54.070 54.000 0.396 0.000 0.992 180 D CB 0.273 41.234 40.800 0.268 0.000 1.058 180 D HN 0.386 nan 8.370 nan 0.000 0.516 181 D N 3.634 124.321 120.400 0.478 0.000 2.801 181 D HA -0.027 4.605 4.640 -0.013 0.000 0.232 181 D C 1.104 177.527 176.300 0.205 0.000 1.128 181 D CA -0.543 53.643 54.000 0.310 0.000 1.003 181 D CB -0.192 40.798 40.800 0.317 0.000 1.110 181 D HN 0.556 nan 8.370 nan 0.000 0.477 182 W N 1.761 123.085 121.300 0.039 0.000 2.595 182 W HA -0.018 4.634 4.660 -0.013 0.000 0.257 182 W C 0.135 176.706 176.519 0.086 0.000 1.267 182 W CA 0.068 57.465 57.345 0.087 0.000 1.300 182 W CB -0.724 28.789 29.460 0.089 0.000 1.120 182 W HN 0.173 nan 8.180 nan 0.000 0.618 183 L N 0.941 121.787 121.223 -0.629 0.000 2.607 183 L HA 0.187 4.520 4.340 -0.013 0.000 0.228 183 L C 2.755 179.452 176.870 -0.289 0.000 1.123 183 L CA 0.006 54.454 54.840 -0.653 0.000 0.890 183 L CB -0.644 40.905 42.059 -0.849 0.000 1.103 183 L HN -0.116 nan 8.230 nan 0.000 0.468 184 R N 0.600 120.984 120.500 -0.193 0.000 2.113 184 R HA -0.241 4.092 4.340 -0.013 0.000 0.244 184 R C 1.481 177.598 176.300 -0.305 0.000 1.142 184 R CA 2.164 58.110 56.100 -0.257 0.000 0.953 184 R CB -0.224 29.888 30.300 -0.314 0.000 0.860 184 R HN 0.309 nan 8.270 nan 0.000 0.438 185 Y N -0.522 119.789 120.300 0.018 0.000 2.466 185 Y HA 0.317 4.859 4.550 -0.013 0.000 0.272 185 Y C 0.831 176.702 175.900 -0.048 0.000 1.169 185 Y CA 0.478 58.594 58.100 0.027 0.000 1.285 185 Y CB 0.798 39.394 38.460 0.225 0.000 1.078 185 Y HN 0.421 nan 8.280 nan 0.000 0.523 186 G N 1.369 110.205 108.800 0.059 0.000 2.692 186 G HA2 -0.235 3.718 3.960 -0.013 0.000 0.686 186 G HA3 -0.235 3.718 3.960 -0.013 0.000 0.686 186 G C -1.194 173.784 174.900 0.129 0.000 1.243 186 G CA -0.836 44.265 45.100 0.002 0.000 0.782 186 G HN 0.265 nan 8.290 nan 0.000 0.625 187 N N 1.792 120.506 118.700 0.024 0.000 2.511 187 N HA 0.591 5.323 4.740 -0.013 0.000 0.249 187 N C -0.537 174.978 175.510 0.008 0.000 0.971 187 N CA -2.153 50.934 53.050 0.061 0.000 0.938 187 N CB 1.851 40.300 38.487 -0.063 0.000 1.131 187 N HN 0.235 nan 8.380 nan 0.000 0.505 188 P HA 0.024 nan 4.420 nan 0.000 0.233 188 P C 0.252 177.206 177.300 -0.576 0.000 1.167 188 P CA 0.729 63.517 63.100 -0.520 0.000 0.770 188 P CB 0.005 31.162 31.700 -0.904 0.000 0.837 189 W N 1.716 123.031 121.300 0.026 0.000 3.353 189 W HA 0.155 4.808 4.660 -0.013 0.000 0.304 189 W C 0.806 177.363 176.519 0.064 0.000 1.273 189 W CA -0.571 56.782 57.345 0.014 0.000 1.773 189 W CB 0.114 29.588 29.460 0.023 0.000 1.095 189 W HN 0.053 nan 8.180 nan 0.000 0.676 190 E N 0.852 121.198 120.200 0.244 0.000 2.227 190 E HA 0.525 4.868 4.350 -0.013 0.000 0.268 190 E C -0.961 175.790 176.600 0.252 0.000 0.907 190 E CA -1.202 55.366 56.400 0.281 0.000 0.786 190 E CB 1.894 31.774 29.700 0.299 0.000 1.191 190 E HN -0.306 nan 8.360 nan 0.000 0.411 191 K N 1.791 122.354 120.400 0.270 0.000 2.483 191 K HA 0.459 4.771 4.320 -0.013 0.000 0.256 191 K C -1.085 175.521 176.600 0.010 0.000 0.961 191 K CA -0.484 55.886 56.287 0.139 0.000 0.873 191 K CB 1.520 34.084 32.500 0.106 0.000 1.107 191 K HN 0.684 nan 8.250 nan 0.000 0.432 192 A N 4.280 127.019 122.820 -0.134 0.000 2.511 192 A HA 0.283 4.595 4.320 -0.013 0.000 0.242 192 A C -0.221 177.186 177.584 -0.295 0.000 1.069 192 A CA 0.001 51.700 52.037 -0.563 0.000 0.763 192 A CB 0.184 18.840 19.000 -0.572 0.000 1.001 192 A HN 0.669 nan 8.150 nan 0.000 0.498 193 R N 3.264 123.594 120.500 -0.283 0.000 2.983 193 R HA 0.201 4.533 4.340 -0.013 0.000 0.300 193 R C -2.336 173.959 176.300 -0.008 0.000 1.367 193 R CA -1.679 54.393 56.100 -0.046 0.000 1.564 193 R CB 0.604 30.968 30.300 0.106 0.000 1.314 193 R HN 0.574 nan 8.270 nan 0.000 0.622 194 P HA -0.178 nan 4.420 nan 0.000 0.223 194 P C 0.927 178.213 177.300 -0.023 0.000 1.144 194 P CA 1.064 64.144 63.100 -0.034 0.000 0.783 194 P CB 0.383 32.053 31.700 -0.050 0.000 0.771 195 E N -0.163 119.983 120.200 -0.089 0.000 2.268 195 E HA -0.137 4.205 4.350 -0.013 0.000 0.195 195 E C 0.824 177.246 176.600 -0.296 0.000 0.995 195 E CA 0.879 57.142 56.400 -0.229 0.000 0.836 195 E CB -0.965 28.510 29.700 -0.375 0.000 0.763 195 E HN 0.279 nan 8.360 nan 0.000 0.491 196 F N 2.179 122.141 119.950 0.020 0.000 2.660 196 F HA 0.219 4.738 4.527 -0.013 0.000 0.297 196 F C 0.443 176.336 175.800 0.155 0.000 1.132 196 F CA -0.153 57.893 58.000 0.075 0.000 1.372 196 F CB 0.228 39.269 39.000 0.067 0.000 1.003 196 F HN -0.286 nan 8.300 nan 0.000 0.524 197 T N 2.698 117.387 114.554 0.226 0.000 2.916 197 T HA 0.271 4.614 4.350 -0.013 0.000 0.303 197 T C -0.251 174.545 174.700 0.159 0.000 1.025 197 T CA 0.276 62.507 62.100 0.218 0.000 1.142 197 T CB 0.676 69.624 68.868 0.134 0.000 0.947 197 T HN -0.167 nan 8.240 nan 0.000 0.544 198 L N 5.823 127.116 121.223 0.117 0.000 2.381 198 L HA 0.557 4.889 4.340 -0.013 0.000 0.268 198 L C -2.244 174.584 176.870 -0.070 0.000 0.997 198 L CA -2.625 52.214 54.840 -0.002 0.000 0.818 198 L CB 1.950 43.945 42.059 -0.107 0.000 1.310 198 L HN 0.379 nan 8.230 nan 0.000 0.416 199 P HA 0.352 nan 4.420 nan 0.000 0.284 199 P C -1.122 176.046 177.300 -0.220 0.000 1.253 199 P CA -0.344 62.670 63.100 -0.142 0.000 0.800 199 P CB 1.573 33.184 31.700 -0.150 0.000 0.961 200 V N 4.004 123.772 119.914 -0.243 0.000 2.604 200 V HA 0.333 4.446 4.120 -0.013 0.000 0.305 200 V C 0.222 176.095 176.094 -0.368 0.000 1.043 200 V CA -0.618 61.524 62.300 -0.262 0.000 0.888 200 V CB 1.384 33.094 31.823 -0.189 0.000 0.995 200 V HN 0.597 nan 8.190 nan 0.000 0.429 201 H N 3.735 122.642 119.070 -0.273 0.000 2.472 201 H HA 0.620 5.168 4.556 -0.013 0.000 0.338 201 H C -1.309 173.737 175.328 -0.470 0.000 1.133 201 H CA -0.155 55.660 56.048 -0.388 0.000 1.216 201 H CB 1.914 31.211 29.762 -0.775 0.000 1.497 201 H HN 0.481 nan 8.280 nan 0.000 0.500 202 F N 0.382 120.394 119.950 0.103 0.000 2.613 202 F HA 0.214 4.733 4.527 -0.013 0.000 0.314 202 F C -0.290 175.629 175.800 0.199 0.000 1.075 202 F CA -0.535 57.527 58.000 0.102 0.000 0.945 202 F CB 1.114 40.066 39.000 -0.079 0.000 1.310 202 F HN 0.559 nan 8.300 nan 0.000 0.467 203 Y N 0.155 120.763 120.300 0.514 0.000 2.904 203 Y HA -0.002 4.540 4.550 -0.013 0.000 0.466 203 Y C 1.350 177.509 175.900 0.432 0.000 1.202 203 Y CA 0.599 58.918 58.100 0.365 0.000 2.492 203 Y CB -1.921 36.685 38.460 0.243 0.000 1.237 203 Y HN 1.294 nan 8.280 nan 0.000 0.633 204 G N 0.718 109.800 108.800 0.471 0.000 2.598 204 G HA2 0.089 4.041 3.960 -0.013 0.000 0.244 204 G HA3 0.089 4.041 3.960 -0.013 0.000 0.244 204 G C -0.535 174.580 174.900 0.359 0.000 1.302 204 G CA 1.004 46.303 45.100 0.331 0.000 0.903 204 G HN 1.369 nan 8.290 nan 0.000 0.575 205 R N -2.586 118.121 120.500 0.345 0.000 2.752 205 R HA 0.700 5.032 4.340 -0.013 0.000 0.271 205 R C -1.374 175.065 176.300 0.231 0.000 1.026 205 R CA -1.007 55.238 56.100 0.241 0.000 0.901 205 R CB 1.345 31.734 30.300 0.148 0.000 1.243 205 R HN 0.861 nan 8.270 nan 0.000 0.463 206 V N 1.098 121.063 119.914 0.084 0.000 2.394 206 V HA 0.320 4.433 4.120 -0.013 0.000 0.282 206 V C -0.146 175.890 176.094 -0.098 0.000 1.031 206 V CA -0.516 61.759 62.300 -0.042 0.000 0.881 206 V CB 1.278 33.001 31.823 -0.167 0.000 0.982 206 V HN 0.670 nan 8.190 nan 0.000 0.451 207 E N 3.346 123.472 120.200 -0.123 0.000 2.175 207 E HA 0.401 4.743 4.350 -0.013 0.000 0.278 207 E C -0.918 175.541 176.600 -0.235 0.000 0.969 207 E CA -0.679 55.660 56.400 -0.101 0.000 0.796 207 E CB 1.045 30.733 29.700 -0.019 0.000 1.104 207 E HN 0.667 nan 8.360 nan 0.000 0.395 208 H N 2.181 121.266 119.070 0.024 0.000 2.519 208 H HA 0.201 4.749 4.556 -0.013 0.000 0.316 208 H C 0.221 175.558 175.328 0.015 0.000 1.065 208 H CA -0.250 55.808 56.048 0.016 0.000 1.264 208 H CB 1.217 30.983 29.762 0.008 0.000 1.413 208 H HN 0.564 nan 8.280 nan 0.000 0.465 209 T N -0.785 113.829 114.554 0.101 0.000 2.870 209 T HA 0.200 4.542 4.350 -0.013 0.000 0.277 209 T C 1.410 176.148 174.700 0.062 0.000 1.000 209 T CA -0.709 61.430 62.100 0.065 0.000 0.982 209 T CB 1.049 69.939 68.868 0.037 0.000 1.249 209 T HN 0.364 nan 8.240 nan 0.000 0.589 210 S N -0.076 115.649 115.700 0.042 0.000 2.370 210 S HA -0.106 4.356 4.470 -0.013 0.000 0.226 210 S C 1.314 175.935 174.600 0.035 0.000 1.033 210 S CA 1.110 59.330 58.200 0.034 0.000 1.011 210 S CB -0.476 62.739 63.200 0.025 0.000 0.852 210 S HN 0.730 nan 8.310 nan 0.000 0.457 211 Q N 0.971 120.791 119.800 0.033 0.000 2.936 211 Q HA 0.489 4.821 4.340 -0.013 0.000 0.383 211 Q C 0.474 176.495 176.000 0.035 0.000 1.167 211 Q CA 0.200 56.021 55.803 0.031 0.000 1.038 211 Q CB -0.269 28.483 28.738 0.024 0.000 1.409 211 Q HN 0.496 nan 8.270 nan 0.000 0.448 212 G N 0.185 109.015 108.800 0.051 0.000 2.782 212 G HA2 -0.088 3.864 3.960 -0.013 0.000 0.228 212 G HA3 -0.088 3.864 3.960 -0.013 0.000 0.228 212 G C -0.417 174.516 174.900 0.054 0.000 1.372 212 G CA -0.655 44.483 45.100 0.064 0.000 0.862 212 G HN 0.714 nan 8.290 nan 0.000 0.547 213 A N 0.050 122.893 122.820 0.038 0.000 2.351 213 A HA 0.693 5.005 4.320 -0.013 0.000 0.257 213 A C 0.498 178.039 177.584 -0.072 0.000 1.087 213 A CA 0.430 52.415 52.037 -0.086 0.000 0.798 213 A CB 0.579 19.498 19.000 -0.134 0.000 1.033 213 A HN 0.759 nan 8.150 nan 0.000 0.488 214 K N 0.743 121.085 120.400 -0.097 0.000 2.482 214 K HA 0.194 4.506 4.320 -0.013 0.000 0.251 214 K C -1.883 174.749 176.600 0.053 0.000 0.936 214 K CA -0.337 55.941 56.287 -0.016 0.000 0.791 214 K CB 2.193 34.687 32.500 -0.011 0.000 1.213 214 K HN 0.748 nan 8.250 nan 0.000 0.428 215 W N 5.197 126.415 121.300 -0.137 0.000 2.308 215 W HA 0.368 5.021 4.660 -0.013 0.000 0.311 215 W C -0.638 175.823 176.519 -0.097 0.000 1.088 215 W CA -0.784 56.488 57.345 -0.123 0.000 1.309 215 W CB 0.211 29.583 29.460 -0.147 0.000 1.229 215 W HN 0.314 nan 8.180 nan 0.000 0.427 216 V N 2.730 122.702 119.914 0.097 0.000 3.141 216 V HA 0.612 4.725 4.120 -0.013 0.000 0.312 216 V C -0.265 175.815 176.094 -0.022 0.000 1.157 216 V CA -1.011 61.271 62.300 -0.031 0.000 1.041 216 V CB 1.987 33.819 31.823 0.015 0.000 1.071 216 V HN 0.471 nan 8.190 nan 0.000 0.441 217 D N 0.193 120.579 120.400 -0.023 0.000 2.772 217 D HA -0.140 4.492 4.640 -0.013 0.000 0.233 217 D C 0.551 176.867 176.300 0.026 0.000 1.143 217 D CA 1.540 55.550 54.000 0.016 0.000 0.700 217 D CB -1.741 39.089 40.800 0.049 0.000 1.076 217 D HN 1.327 nan 8.370 nan 0.000 0.430 218 T N -2.886 111.638 114.554 -0.050 0.000 2.882 218 T HA 0.458 4.801 4.350 -0.013 0.000 0.287 218 T C 0.470 175.234 174.700 0.106 0.000 1.014 218 T CA -0.715 61.370 62.100 -0.024 0.000 1.049 218 T CB 1.859 70.563 68.868 -0.274 0.000 1.001 218 T HN 0.058 nan 8.240 nan 0.000 0.525 219 Q N 0.570 120.505 119.800 0.225 0.000 2.235 219 Q HA 0.570 4.902 4.340 -0.013 0.000 0.250 219 Q C -0.948 175.183 176.000 0.219 0.000 0.909 219 Q CA -0.844 55.116 55.803 0.261 0.000 0.910 219 Q CB 1.789 30.763 28.738 0.393 0.000 1.223 219 Q HN 0.527 nan 8.270 nan 0.000 0.432 220 V N 3.101 123.103 119.914 0.148 0.000 2.435 220 V HA 0.407 4.519 4.120 -0.013 0.000 0.290 220 V C -0.426 175.739 176.094 0.118 0.000 1.030 220 V CA -0.651 61.647 62.300 -0.004 0.000 0.881 220 V CB 1.709 33.465 31.823 -0.111 0.000 0.983 220 V HN 0.488 nan 8.190 nan 0.000 0.445 221 V N 6.020 126.018 119.914 0.141 0.000 2.495 221 V HA 0.478 4.591 4.120 -0.013 0.000 0.298 221 V C -0.102 176.082 176.094 0.150 0.000 1.031 221 V CA -0.653 61.745 62.300 0.163 0.000 0.871 221 V CB 1.905 33.901 31.823 0.288 0.000 0.988 221 V HN 0.637 nan 8.190 nan 0.000 0.432 222 L N 3.625 124.925 121.223 0.129 0.000 2.371 222 L HA 0.692 5.024 4.340 -0.013 0.000 0.272 222 L C 0.499 177.540 176.870 0.285 0.000 1.124 222 L CA -0.236 54.687 54.840 0.139 0.000 0.816 222 L CB 1.175 43.297 42.059 0.105 0.000 1.129 222 L HN 0.759 nan 8.230 nan 0.000 0.448 223 A N 5.181 128.117 122.820 0.192 0.000 2.267 223 A HA 0.574 4.886 4.320 -0.013 0.000 0.315 223 A C -0.480 177.367 177.584 0.438 0.000 1.297 223 A CA -0.471 51.709 52.037 0.239 0.000 0.865 223 A CB 0.894 19.602 19.000 -0.486 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.950 125.868 119.600 0.529 0.000 2.129 224 M HA 0.438 4.910 4.480 -0.013 0.000 0.348 224 M C -2.574 173.986 176.300 0.434 0.000 1.116 224 M CA -2.171 53.384 55.300 0.425 0.000 1.022 224 M CB 1.916 34.690 32.600 0.290 0.000 1.599 224 M HN 0.344 nan 8.290 nan 0.000 0.449 225 P HA 0.238 nan 4.420 nan 0.000 0.282 225 P C -1.906 175.312 177.300 -0.136 0.000 1.249 225 P CA 0.021 62.994 63.100 -0.211 0.000 0.806 225 P CB 0.495 31.871 31.700 -0.540 0.000 0.984 226 Y N 0.460 120.666 120.300 -0.157 0.000 2.350 226 Y HA 0.318 4.861 4.550 -0.013 0.000 0.338 226 Y C 0.206 176.063 175.900 -0.072 0.000 0.961 226 Y CA -0.334 57.735 58.100 -0.051 0.000 1.100 226 Y CB 1.337 39.806 38.460 0.016 0.000 1.179 226 Y HN 0.216 nan 8.280 nan 0.000 0.454 227 D N 1.980 122.452 120.400 0.120 0.000 2.198 227 D HA 0.393 5.025 4.640 -0.013 0.000 0.245 227 D C -0.583 175.938 176.300 0.367 0.000 1.079 227 D CA -0.152 53.962 54.000 0.188 0.000 0.854 227 D CB 1.690 42.593 40.800 0.173 0.000 1.148 227 D HN 0.379 nan 8.370 nan 0.000 0.456 228 T N 3.298 117.987 114.554 0.226 0.000 2.824 228 T HA 0.467 4.809 4.350 -0.013 0.000 0.282 228 T C -2.518 172.048 174.700 -0.224 0.000 0.993 228 T CA -1.471 60.668 62.100 0.065 0.000 0.967 228 T CB 2.087 70.978 68.868 0.038 0.000 0.960 228 T HN 0.175 nan 8.240 nan 0.000 0.441 229 P HA 0.314 nan 4.420 nan 0.000 0.275 229 P C -1.011 175.970 177.300 -0.532 0.000 1.227 229 P CA -0.400 62.050 63.100 -1.082 0.000 0.781 229 P CB 0.840 31.719 31.700 -1.368 0.000 0.906 230 V N 4.864 124.522 119.914 -0.427 0.000 2.305 230 V HA 0.256 4.369 4.120 -0.013 0.000 0.275 230 V C -2.101 173.856 176.094 -0.228 0.000 1.020 230 V CA -1.948 60.192 62.300 -0.267 0.000 0.811 230 V CB 1.256 32.970 31.823 -0.182 0.000 1.031 230 V HN 0.538 nan 8.190 nan 0.000 0.439 231 P HA 0.263 nan 4.420 nan 0.000 0.280 231 P C 0.407 177.652 177.300 -0.091 0.000 1.244 231 P CA 0.326 63.330 63.100 -0.159 0.000 0.784 231 P CB 1.493 33.097 31.700 -0.161 0.000 0.913 232 G N 2.245 111.010 108.800 -0.059 0.000 2.599 232 G HA2 0.127 4.080 3.960 -0.013 0.000 0.264 232 G HA3 0.127 4.080 3.960 -0.013 0.000 0.264 232 G C -1.153 173.757 174.900 0.017 0.000 1.200 232 G CA -0.560 44.536 45.100 -0.007 0.000 0.896 232 G HN 0.511 nan 8.290 nan 0.000 0.536 233 Y N 0.616 120.877 120.300 -0.065 0.000 2.624 233 Y HA 0.268 4.810 4.550 -0.013 0.000 0.354 233 Y C 1.190 177.052 175.900 -0.063 0.000 1.051 233 Y CA -0.266 57.792 58.100 -0.071 0.000 1.377 233 Y CB 0.076 38.492 38.460 -0.073 0.000 1.168 233 Y HN 0.704 nan 8.280 nan 0.000 0.525 234 R N 2.844 123.056 120.500 -0.480 0.000 3.502 234 R HA -0.318 4.014 4.340 -0.013 0.000 0.266 234 R C 0.061 176.230 176.300 -0.218 0.000 1.077 234 R CA 1.449 57.292 56.100 -0.427 0.000 0.718 234 R CB -1.890 28.006 30.300 -0.672 0.000 1.120 234 R HN 0.946 nan 8.270 nan 0.000 0.457 235 N N -1.426 117.196 118.700 -0.131 0.000 2.171 235 N HA 0.057 4.789 4.740 -0.013 0.000 0.212 235 N C -0.177 175.290 175.510 -0.071 0.000 1.184 235 N CA -0.340 52.664 53.050 -0.076 0.000 0.888 235 N CB 0.529 38.997 38.487 -0.032 0.000 1.038 235 N HN 0.088 nan 8.380 nan 0.000 0.517 236 N N -0.173 118.479 118.700 -0.080 0.000 2.778 236 N HA -0.134 4.598 4.740 -0.013 0.000 0.249 236 N C -0.895 174.577 175.510 -0.063 0.000 1.069 236 N CA 0.617 53.627 53.050 -0.068 0.000 0.831 236 N CB -1.346 37.101 38.487 -0.066 0.000 1.142 236 N HN 0.191 nan 8.380 nan 0.000 0.573 237 V N 1.165 121.045 119.914 -0.056 0.000 2.498 237 V HA 0.395 4.507 4.120 -0.013 0.000 0.279 237 V C 0.673 176.737 176.094 -0.050 0.000 1.048 237 V CA -0.416 61.859 62.300 -0.042 0.000 0.967 237 V CB 2.033 33.856 31.823 0.000 0.000 0.988 237 V HN -0.024 nan 8.190 nan 0.000 0.473 238 V N 5.309 125.198 119.914 -0.042 0.000 2.419 238 V HA 0.423 4.535 4.120 -0.013 0.000 0.287 238 V C -0.114 175.969 176.094 -0.020 0.000 1.017 238 V CA -0.873 61.370 62.300 -0.095 0.000 0.844 238 V CB 1.426 33.160 31.823 -0.149 0.000 1.011 238 V HN 0.841 nan 8.190 nan 0.000 0.429 239 N N 1.943 120.605 118.700 -0.065 0.000 2.405 239 N HA 0.545 5.277 4.740 -0.013 0.000 0.269 239 N C -0.003 175.488 175.510 -0.032 0.000 1.249 239 N CA -0.269 52.765 53.050 -0.026 0.000 0.974 239 N CB 1.178 39.610 38.487 -0.092 0.000 1.204 239 N HN 0.572 nan 8.380 nan 0.000 0.565 240 T N 0.800 115.350 114.554 -0.007 0.000 2.829 240 T HA 0.391 4.733 4.350 -0.013 0.000 0.280 240 T C -0.139 174.519 174.700 -0.070 0.000 0.999 240 T CA -0.506 61.655 62.100 0.102 0.000 0.983 240 T CB 0.951 69.978 68.868 0.264 0.000 0.968 240 T HN 0.295 nan 8.240 nan 0.000 0.446 241 M N 3.876 123.401 119.600 -0.126 0.000 2.101 241 M HA 0.487 4.959 4.480 -0.013 0.000 0.340 241 M C -0.454 175.681 176.300 -0.276 0.000 1.057 241 M CA -0.747 54.387 55.300 -0.276 0.000 0.984 241 M CB 0.663 33.043 32.600 -0.366 0.000 1.560 241 M HN 0.481 nan 8.290 nan 0.000 0.435 242 R N 5.937 126.154 120.500 -0.472 0.000 2.265 242 R HA 0.616 4.948 4.340 -0.013 0.000 0.328 242 R C -1.909 174.068 176.300 -0.539 0.000 0.969 242 R CA -0.413 55.350 56.100 -0.561 0.000 0.832 242 R CB 0.833 30.600 30.300 -0.889 0.000 1.139 242 R HN 0.815 nan 8.270 nan 0.000 0.457 243 L N 5.051 126.071 121.223 -0.338 0.000 2.322 243 L HA 0.503 4.836 4.340 -0.013 0.000 0.281 243 L C -0.819 175.984 176.870 -0.112 0.000 1.014 243 L CA -0.925 53.817 54.840 -0.162 0.000 0.815 243 L CB 1.511 43.571 42.059 0.001 0.000 1.247 243 L HN 0.588 nan 8.230 nan 0.000 0.421 244 W N 1.807 123.220 121.300 0.188 0.000 2.365 244 W HA 0.492 5.144 4.660 -0.013 0.000 0.316 244 W C 0.521 177.262 176.519 0.369 0.000 1.164 244 W CA -0.208 57.275 57.345 0.230 0.000 1.204 244 W CB 1.525 30.986 29.460 0.001 0.000 1.213 244 W HN 0.339 nan 8.180 nan 0.000 0.539 245 S N 1.782 117.884 115.700 0.670 0.000 2.503 245 S HA 0.782 5.244 4.470 -0.013 0.000 0.301 245 S C -0.507 174.433 174.600 0.566 0.000 1.087 245 S CA -0.712 57.785 58.200 0.494 0.000 1.042 245 S CB 0.691 64.121 63.200 0.383 0.000 1.043 245 S HN 0.521 nan 8.310 nan 0.000 0.489 246 A N 4.715 127.704 122.820 0.282 0.000 2.328 246 A HA 0.662 4.974 4.320 -0.013 0.000 0.284 246 A C -0.193 177.454 177.584 0.105 0.000 1.160 246 A CA -0.339 51.767 52.037 0.115 0.000 0.818 246 A CB 0.379 19.166 19.000 -0.354 0.000 1.087 246 A HN 0.648 nan 8.150 nan 0.000 0.504 247 K N 1.347 121.822 120.400 0.124 0.000 2.443 247 K HA 0.582 4.895 4.320 -0.013 0.000 0.252 247 K C -0.412 176.177 176.600 -0.019 0.000 0.933 247 K CA -0.413 55.909 56.287 0.059 0.000 0.792 247 K CB 2.176 34.742 32.500 0.110 0.000 1.185 247 K HN 0.846 nan 8.250 nan 0.000 0.425 248 A N 4.638 127.389 122.820 -0.115 0.000 2.425 248 A HA 0.383 4.695 4.320 -0.013 0.000 0.249 248 A C -2.068 175.488 177.584 -0.047 0.000 1.084 248 A CA -0.893 51.008 52.037 -0.227 0.000 0.781 248 A CB -0.378 18.367 19.000 -0.425 0.000 1.019 248 A HN 0.347 nan 8.150 nan 0.000 0.490 249 P HA 0.103 nan 4.420 nan 0.000 0.272 249 P C 0.032 177.407 177.300 0.125 0.000 1.230 249 P CA -0.338 62.815 63.100 0.088 0.000 0.788 249 P CB 0.558 32.329 31.700 0.118 0.000 0.949 250 N N 0.823 119.583 118.700 0.100 0.000 2.396 250 N HA -0.119 4.613 4.740 -0.013 0.000 0.180 250 N C 0.701 176.284 175.510 0.121 0.000 1.028 250 N CA 1.068 54.179 53.050 0.101 0.000 0.893 250 N CB -0.484 38.048 38.487 0.075 0.000 0.967 250 N HN 0.536 nan 8.380 nan 0.000 0.440 251 D N -1.075 119.399 120.400 0.124 0.000 2.342 251 D HA -0.047 4.585 4.640 -0.013 0.000 0.221 251 D C 0.010 176.384 176.300 0.122 0.000 1.101 251 D CA -0.574 53.490 54.000 0.106 0.000 0.837 251 D CB -1.000 39.844 40.800 0.073 0.000 0.938 251 D HN 0.064 nan 8.370 nan 0.000 0.508 252 F N 1.946 121.911 119.950 0.025 0.000 2.602 252 F HA 0.089 4.608 4.527 -0.013 0.000 0.385 252 F C 0.789 176.595 175.800 0.010 0.000 1.063 252 F CA 0.261 58.272 58.000 0.019 0.000 1.233 252 F CB 0.137 39.149 39.000 0.020 0.000 1.067 252 F HN -0.130 nan 8.300 nan 0.000 0.564 253 N N 2.432 120.747 118.700 -0.643 0.000 2.815 253 N HA -0.275 4.458 4.740 -0.013 0.000 0.247 253 N C -0.889 174.526 175.510 -0.158 0.000 1.030 253 N CA 1.516 54.307 53.050 -0.433 0.000 0.881 253 N CB -1.209 37.053 38.487 -0.375 0.000 1.134 253 N HN 0.552 nan 8.380 nan 0.000 0.582 262 Y N 1.780 122.082 120.300 0.003 0.000 2.145 262 Y HA -0.010 4.532 4.550 -0.013 0.000 0.286 262 Y C 2.694 178.604 175.900 0.017 0.000 1.145 262 Y CA 2.225 60.331 58.100 0.009 0.000 1.148 262 Y CB -0.122 38.344 38.460 0.009 0.000 0.981 262 Y HN 0.192 nan 8.280 nan 0.000 0.507 263 I N 0.464 120.970 120.570 -0.107 0.000 2.142 263 I HA -0.304 3.859 4.170 -0.013 0.000 0.240 263 I C 2.374 178.391 176.117 -0.166 0.000 1.078 263 I CA 1.462 62.651 61.300 -0.186 0.000 1.343 263 I CB -1.438 36.557 38.000 -0.007 0.000 1.046 263 I HN 0.357 nan 8.210 nan 0.000 0.405 264 Q N 0.584 120.335 119.800 -0.081 0.000 2.096 264 Q HA -0.162 4.171 4.340 -0.013 0.000 0.204 264 Q C 2.389 178.350 176.000 -0.064 0.000 0.982 264 Q CA 1.994 57.765 55.803 -0.053 0.000 0.850 264 Q CB -0.497 28.227 28.738 -0.025 0.000 0.901 264 Q HN 0.559 nan 8.270 nan 0.000 0.422 265 A N 0.010 122.772 122.820 -0.096 0.000 1.908 265 A HA -0.151 4.161 4.320 -0.013 0.000 0.218 265 A C 2.426 179.975 177.584 -0.057 0.000 1.181 265 A CA 1.774 53.762 52.037 -0.080 0.000 0.627 265 A CB -0.686 18.264 19.000 -0.084 0.000 0.818 265 A HN 0.232 nan 8.150 nan 0.000 0.445 266 V N 0.116 119.918 119.914 -0.187 0.000 2.358 266 V HA -0.233 3.879 4.120 -0.013 0.000 0.246 266 V C 2.524 178.591 176.094 -0.045 0.000 1.047 266 V CA 1.856 64.070 62.300 -0.143 0.000 1.035 266 V CB -0.773 30.870 31.823 -0.299 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.182 121.008 121.223 -0.054 0.000 2.131 267 L HA -0.155 4.177 4.340 -0.013 0.000 0.210 267 L C 2.069 178.959 176.870 0.033 0.000 1.092 267 L CA 1.246 56.078 54.840 -0.012 0.000 0.759 267 L CB -0.683 41.366 42.059 -0.018 0.000 0.903 267 L HN 0.329 nan 8.230 nan 0.000 0.435 268 D N 0.005 120.447 120.400 0.070 0.000 2.371 268 D HA -0.085 4.547 4.640 -0.013 0.000 0.221 268 D C 2.155 178.614 176.300 0.266 0.000 0.986 268 D CA 0.485 54.578 54.000 0.154 0.000 0.899 268 D CB -0.015 40.876 40.800 0.151 0.000 0.902 268 D HN 0.221 nan 8.370 nan 0.000 0.530 269 R N 0.300 120.909 120.500 0.182 0.000 2.159 269 R HA -0.086 4.247 4.340 -0.013 0.000 0.237 269 R C 1.709 177.938 176.300 -0.120 0.000 1.131 269 R CA 0.963 57.052 56.100 -0.019 0.000 0.982 269 R CB -0.279 30.014 30.300 -0.011 0.000 0.868 269 R HN 0.357 nan 8.270 nan 0.000 0.453 270 N N 0.247 118.934 118.700 -0.023 0.000 2.137 270 N HA -0.190 4.542 4.740 -0.013 0.000 0.190 270 N C 1.252 176.742 175.510 -0.034 0.000 1.017 270 N CA 0.754 53.792 53.050 -0.021 0.000 0.859 270 N CB -0.092 38.402 38.487 0.011 0.000 1.002 270 N HN 0.014 nan 8.380 nan 0.000 0.428 271 L N 1.162 122.381 121.223 -0.007 0.000 2.012 271 L HA -0.153 4.179 4.340 -0.013 0.000 0.210 271 L C 2.478 179.304 176.870 -0.073 0.000 1.073 271 L CA 1.520 56.364 54.840 0.008 0.000 0.748 271 L CB -1.192 40.933 42.059 0.111 0.000 0.891 271 L HN 0.165 nan 8.230 nan 0.000 0.431 272 A N -0.904 121.786 122.820 -0.216 0.000 1.930 272 A HA -0.180 4.132 4.320 -0.013 0.000 0.217 272 A C 2.142 179.595 177.584 -0.219 0.000 1.175 272 A CA 1.506 53.368 52.037 -0.290 0.000 0.627 272 A CB -0.458 18.175 19.000 -0.612 0.000 0.815 272 A HN 0.543 nan 8.150 nan 0.000 0.443 273 E N -0.057 120.035 120.200 -0.179 0.000 2.435 273 E HA -0.068 4.274 4.350 -0.013 0.000 0.195 273 E C 1.060 177.617 176.600 -0.071 0.000 1.029 273 E CA 0.193 56.524 56.400 -0.114 0.000 0.865 273 E CB -0.139 29.519 29.700 -0.070 0.000 0.833 273 E HN 0.460 nan 8.360 nan 0.000 0.510 274 N N 1.147 119.813 118.700 -0.057 0.000 2.348 274 N HA -0.122 4.610 4.740 -0.013 0.000 0.185 274 N C 1.604 177.107 175.510 -0.013 0.000 1.019 274 N CA 0.695 53.740 53.050 -0.007 0.000 0.880 274 N CB -0.084 38.405 38.487 0.003 0.000 0.965 274 N HN 0.262 nan 8.380 nan 0.000 0.437 275 I N 0.361 120.860 120.570 -0.118 0.000 2.194 275 I HA -0.264 3.898 4.170 -0.013 0.000 0.246 275 I C 1.492 177.560 176.117 -0.082 0.000 1.093 275 I CA 1.344 62.537 61.300 -0.178 0.000 1.355 275 I CB -0.205 37.512 38.000 -0.472 0.000 1.046 275 I HN 0.144 nan 8.210 nan 0.000 0.413 276 S N -0.544 115.102 115.700 -0.090 0.000 2.582 276 S HA 0.174 4.637 4.470 -0.013 0.000 0.234 276 S C 1.497 176.223 174.600 0.209 0.000 0.961 276 S CA -0.507 57.726 58.200 0.056 0.000 0.953 276 S CB 0.217 63.436 63.200 0.031 0.000 0.800 276 S HN 0.215 nan 8.310 nan 0.000 0.471 277 R N 1.242 121.873 120.500 0.218 0.000 2.073 277 R HA 0.276 4.608 4.340 -0.013 0.000 0.229 277 R C 0.364 176.922 176.300 0.431 0.000 1.120 277 R CA 1.086 57.360 56.100 0.291 0.000 0.967 277 R CB -0.187 30.249 30.300 0.227 0.000 0.862 277 R HN 0.390 nan 8.270 nan 0.000 0.436 278 V N 0.396 120.529 119.914 0.365 0.000 2.851 278 V HA 0.344 4.456 4.120 -0.013 0.000 0.307 278 V C -1.606 174.472 176.094 -0.027 0.000 1.129 278 V CA -1.381 61.054 62.300 0.226 0.000 0.932 278 V CB 1.764 33.638 31.823 0.085 0.000 1.024 278 V HN 0.141 nan 8.190 nan 0.000 0.426 279 L N 6.958 127.924 121.223 -0.428 0.000 2.410 279 L HA 0.441 4.773 4.340 -0.013 0.000 0.273 279 L C -0.805 175.901 176.870 -0.274 0.000 1.144 279 L CA 0.488 54.856 54.840 -0.786 0.000 0.863 279 L CB 0.334 41.875 42.059 -0.864 0.000 1.140 279 L HN 0.676 nan 8.230 nan 0.000 0.463 280 Y N 7.323 127.524 120.300 -0.165 0.000 2.569 280 Y HA 0.183 4.726 4.550 -0.013 0.000 0.332 280 Y C -1.310 174.577 175.900 -0.022 0.000 1.120 280 Y CA -1.053 57.025 58.100 -0.036 0.000 1.416 280 Y CB 0.366 38.832 38.460 0.010 0.000 1.210 280 Y HN 0.591 nan 8.280 nan 0.000 0.528 281 P HA -0.011 nan 4.420 nan 0.000 0.262 281 P C -0.620 176.813 177.300 0.222 0.000 1.304 281 P CA 0.175 63.381 63.100 0.176 0.000 0.859 281 P CB 0.219 32.110 31.700 0.318 0.000 1.310 282 N N 1.267 120.105 118.700 0.229 0.000 3.124 282 N HA -0.016 4.717 4.740 -0.013 0.000 0.284 282 N C 0.098 175.743 175.510 0.225 0.000 1.209 282 N CA -0.086 53.101 53.050 0.228 0.000 1.149 282 N CB -0.061 38.560 38.487 0.223 0.000 1.434 282 N HN 0.072 nan 8.380 nan 0.000 0.529 283 D N 0.631 121.187 120.400 0.261 0.000 2.349 283 D HA -0.141 4.491 4.640 -0.013 0.000 0.224 283 D C 0.824 177.346 176.300 0.370 0.000 1.029 283 D CA 0.182 54.358 54.000 0.294 0.000 0.879 283 D CB -0.095 40.900 40.800 0.326 0.000 0.906 283 D HN 0.504 nan 8.370 nan 0.000 0.528 284 N N -0.331 118.575 118.700 0.344 0.000 2.414 284 N HA -0.016 4.717 4.740 -0.013 0.000 0.177 284 N C -0.489 175.163 175.510 0.237 0.000 1.062 284 N CA -0.159 53.063 53.050 0.288 0.000 0.890 284 N CB 0.090 38.571 38.487 -0.010 0.000 1.070 284 N HN 0.149 nan 8.380 nan 0.000 0.454 285 F N 1.012 120.982 119.950 0.033 0.000 2.653 285 F HA 0.365 4.884 4.527 -0.013 0.000 0.327 285 F C -1.204 174.622 175.800 0.043 0.000 1.195 285 F CA -1.559 56.451 58.000 0.017 0.000 0.993 285 F CB 1.199 40.166 39.000 -0.054 0.000 1.259 285 F HN -0.100 nan 8.300 nan 0.000 0.478 286 F N 5.654 125.341 119.950 -0.440 0.000 2.571 286 F HA 0.217 4.736 4.527 -0.013 0.000 0.384 286 F C -0.048 175.544 175.800 -0.347 0.000 1.058 286 F CA 0.454 58.225 58.000 -0.383 0.000 1.200 286 F CB 0.350 39.078 39.000 -0.453 0.000 1.077 286 F HN 0.511 nan 8.300 nan 0.000 0.558 287 E N 4.097 123.775 120.200 -0.871 0.000 2.113 287 E HA 0.262 4.604 4.350 -0.013 0.000 0.273 287 E C 0.146 176.013 176.600 -1.221 0.000 0.924 287 E CA -0.608 55.344 56.400 -0.747 0.000 0.764 287 E CB 1.483 31.060 29.700 -0.205 0.000 1.104 287 E HN 0.876 nan 8.360 nan 0.000 0.406 288 G N 4.609 112.730 108.800 -1.132 0.000 3.197 288 G HA2 -0.021 3.931 3.960 -0.013 0.000 0.257 288 G HA3 -0.021 3.931 3.960 -0.013 0.000 0.257 288 G C 0.057 174.932 174.900 -0.042 0.000 0.835 288 G CA -0.166 44.498 45.100 -0.726 0.000 2.001 288 G HN 0.156 nan 8.290 nan 0.000 0.625 289 K N 0.627 121.027 120.400 0.001 0.000 2.172 289 K HA 0.156 4.468 4.320 -0.013 0.000 0.276 289 K C 0.966 177.696 176.600 0.218 0.000 1.013 289 K CA -0.550 55.812 56.287 0.124 0.000 0.913 289 K CB 2.212 34.776 32.500 0.106 0.000 1.055 289 K HN 0.459 nan 8.250 nan 0.000 0.461 290 E N 2.040 122.338 120.200 0.164 0.000 2.085 290 E HA -0.220 4.122 4.350 -0.013 0.000 0.194 290 E C 1.512 178.136 176.600 0.041 0.000 0.994 290 E CA 1.056 57.508 56.400 0.086 0.000 0.801 290 E CB 0.177 29.932 29.700 0.092 0.000 0.743 290 E HN 0.412 nan 8.360 nan 0.000 0.453 291 L N 1.320 122.607 121.223 0.106 0.000 2.042 291 L HA -0.181 4.151 4.340 -0.013 0.000 0.210 291 L C 2.490 179.433 176.870 0.122 0.000 1.076 291 L CA 1.847 56.765 54.840 0.129 0.000 0.749 291 L CB -0.534 41.673 42.059 0.246 0.000 0.893 291 L HN 0.016 nan 8.230 nan 0.000 0.432 292 R N -0.627 119.879 120.500 0.010 0.000 2.081 292 R HA -0.168 4.164 4.340 -0.013 0.000 0.235 292 R C 2.112 178.437 176.300 0.041 0.000 1.131 292 R CA 1.873 57.891 56.100 -0.136 0.000 0.960 292 R CB -1.024 28.969 30.300 -0.512 0.000 0.856 292 R HN 0.405 nan 8.270 nan 0.000 0.436 293 L N 0.928 122.102 121.223 -0.082 0.000 2.046 293 L HA -0.086 4.247 4.340 -0.013 0.000 0.208 293 L C 1.728 178.532 176.870 -0.110 0.000 1.077 293 L CA 1.927 56.508 54.840 -0.431 0.000 0.747 293 L CB -0.460 41.054 42.059 -0.908 0.000 0.896 293 L HN 0.165 nan 8.230 nan 0.000 0.432 294 K N -0.973 119.411 120.400 -0.028 0.000 2.063 294 K HA -0.215 4.098 4.320 -0.013 0.000 0.208 294 K C 2.097 178.852 176.600 0.259 0.000 1.048 294 K CA 1.860 58.204 56.287 0.094 0.000 0.928 294 K CB -0.207 32.166 32.500 -0.211 0.000 0.713 294 K HN 0.516 nan 8.250 nan 0.000 0.442 295 Q N 0.602 120.517 119.800 0.191 0.000 2.084 295 Q HA -0.193 4.139 4.340 -0.013 0.000 0.202 295 Q C 1.970 178.164 176.000 0.323 0.000 0.978 295 Q CA 1.478 57.450 55.803 0.281 0.000 0.844 295 Q CB -0.026 28.897 28.738 0.309 0.000 0.898 295 Q HN 0.393 nan 8.270 nan 0.000 0.426 296 E N -0.268 120.076 120.200 0.240 0.000 2.077 296 E HA -0.206 4.136 4.350 -0.013 0.000 0.193 296 E C 1.717 178.429 176.600 0.186 0.000 0.989 296 E CA 0.980 57.507 56.400 0.211 0.000 0.800 296 E CB -0.115 29.689 29.700 0.173 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.368 120.711 120.300 0.071 0.000 2.220 297 Y HA -0.192 4.350 4.550 -0.013 0.000 0.291 297 Y C 1.956 177.884 175.900 0.046 0.000 1.129 297 Y CA 0.958 59.053 58.100 -0.008 0.000 1.161 297 Y CB -0.364 38.055 38.460 -0.069 0.000 0.997 297 Y HN 0.004 nan 8.280 nan 0.000 0.522 298 F N -0.239 119.702 119.950 -0.016 0.000 2.065 298 F HA -0.272 4.247 4.527 -0.013 0.000 0.298 298 F C 2.503 178.151 175.800 -0.253 0.000 1.112 298 F CA 2.094 60.038 58.000 -0.094 0.000 1.212 298 F CB -1.094 38.001 39.000 0.158 0.000 0.975 298 F HN -0.047 nan 8.300 nan 0.000 0.476 299 V N -0.497 119.378 119.914 -0.065 0.000 2.343 299 V HA -0.212 3.901 4.120 -0.013 0.000 0.247 299 V C 2.212 178.157 176.094 -0.249 0.000 1.051 299 V CA 1.976 64.210 62.300 -0.110 0.000 1.036 299 V CB -0.407 31.551 31.823 0.225 0.000 0.654 299 V HN 0.266 nan 8.190 nan 0.000 0.451 300 V N 0.379 120.153 119.914 -0.234 0.000 2.307 300 V HA -0.179 3.933 4.120 -0.013 0.000 0.245 300 V C 2.799 178.629 176.094 -0.440 0.000 1.045 300 V CA 2.166 64.311 62.300 -0.260 0.000 1.024 300 V CB -1.038 30.691 31.823 -0.158 0.000 0.651 300 V HN 0.650 nan 8.190 nan 0.000 0.449 301 A N -0.228 122.154 122.820 -0.729 0.000 1.873 301 A HA -0.084 4.228 4.320 -0.013 0.000 0.215 301 A C 2.402 179.612 177.584 -0.623 0.000 1.186 301 A CA 2.046 53.648 52.037 -0.725 0.000 0.616 301 A CB -0.808 17.545 19.000 -1.077 0.000 0.823 301 A HN 0.560 nan 8.150 nan 0.000 0.442 302 A N -0.992 121.296 122.820 -0.886 0.000 1.877 302 A HA -0.073 4.239 4.320 -0.013 0.000 0.216 302 A C 2.318 179.406 177.584 -0.828 0.000 1.186 302 A CA 2.305 53.626 52.037 -1.193 0.000 0.620 302 A CB -1.312 16.305 19.000 -2.305 0.000 0.822 302 A HN 0.425 nan 8.150 nan 0.000 0.443 303 T N 0.470 114.680 114.554 -0.573 0.000 2.708 303 T HA -0.105 4.237 4.350 -0.013 0.000 0.266 303 T C 1.828 176.267 174.700 -0.434 0.000 1.037 303 T CA 1.500 63.389 62.100 -0.352 0.000 1.146 303 T CB -0.396 68.278 68.868 -0.324 0.000 0.865 303 T HN 0.337 nan 8.240 nan 0.000 0.435 304 L N 0.690 121.701 121.223 -0.354 0.000 2.083 304 L HA -0.156 4.177 4.340 -0.013 0.000 0.209 304 L C 2.910 179.668 176.870 -0.188 0.000 1.083 304 L CA 1.354 56.035 54.840 -0.265 0.000 0.752 304 L CB -0.507 41.435 42.059 -0.195 0.000 0.899 304 L HN 0.354 nan 8.230 nan 0.000 0.433 305 Q N -0.607 119.084 119.800 -0.183 0.000 2.124 305 Q HA -0.247 4.085 4.340 -0.013 0.000 0.202 305 Q C 1.742 177.722 176.000 -0.033 0.000 0.977 305 Q CA 1.685 57.434 55.803 -0.089 0.000 0.850 305 Q CB -0.102 28.573 28.738 -0.105 0.000 0.901 305 Q HN 0.404 nan 8.270 nan 0.000 0.429 306 D N 0.508 120.876 120.400 -0.053 0.000 2.117 306 D HA -0.090 4.542 4.640 -0.013 0.000 0.198 306 D C 1.683 177.932 176.300 -0.086 0.000 0.982 306 D CA 0.832 54.848 54.000 0.027 0.000 0.828 306 D CB -0.019 40.889 40.800 0.180 0.000 0.967 306 D HN 0.154 nan 8.370 nan 0.000 0.464 307 I N 0.166 120.558 120.570 -0.297 0.000 2.163 307 I HA -0.252 3.910 4.170 -0.013 0.000 0.243 307 I C 2.301 178.419 176.117 0.002 0.000 1.085 307 I CA 0.806 61.864 61.300 -0.404 0.000 1.347 307 I CB -0.150 37.446 38.000 -0.674 0.000 1.044 307 I HN 0.040 nan 8.210 nan 0.000 0.408 308 I N 0.239 120.873 120.570 0.107 0.000 2.252 308 I HA -0.279 3.884 4.170 -0.013 0.000 0.245 308 I C 2.765 179.053 176.117 0.285 0.000 1.102 308 I CA 1.118 62.603 61.300 0.308 0.000 1.385 308 I CB -0.372 37.767 38.000 0.230 0.000 1.064 308 I HN 0.181 nan 8.210 nan 0.000 0.414 309 R N 1.216 121.817 120.500 0.169 0.000 2.080 309 R HA -0.230 4.103 4.340 -0.013 0.000 0.236 309 R C 2.488 178.881 176.300 0.155 0.000 1.137 309 R CA 1.816 58.008 56.100 0.153 0.000 0.943 309 R CB -0.298 30.086 30.300 0.139 0.000 0.846 309 R HN 0.171 nan 8.270 nan 0.000 0.431 310 R N -0.762 119.826 120.500 0.147 0.000 2.096 310 R HA -0.157 4.176 4.340 -0.013 0.000 0.235 310 R C 2.141 178.544 176.300 0.171 0.000 1.127 310 R CA 1.669 57.860 56.100 0.151 0.000 0.968 310 R CB -0.327 30.048 30.300 0.126 0.000 0.861 310 R HN 0.321 nan 8.270 nan 0.000 0.440 311 F N 1.294 121.281 119.950 0.062 0.000 2.186 311 F HA -0.093 4.427 4.527 -0.013 0.000 0.299 311 F C 1.665 177.473 175.800 0.013 0.000 1.090 311 F CA 1.457 59.480 58.000 0.038 0.000 1.307 311 F CB 0.087 39.147 39.000 0.100 0.000 1.019 311 F HN -0.158 nan 8.300 nan 0.000 0.489 312 K N -0.331 120.044 120.400 -0.040 0.000 2.155 312 K HA -0.004 4.308 4.320 -0.013 0.000 0.203 312 K C 1.466 177.989 176.600 -0.128 0.000 1.052 312 K CA 1.137 57.327 56.287 -0.162 0.000 0.948 312 K CB -0.211 32.304 32.500 0.025 0.000 0.728 312 K HN 0.085 nan 8.250 nan 0.000 0.448 313 S N 1.436 117.124 115.700 -0.020 0.000 2.859 313 S HA 0.096 4.559 4.470 -0.013 0.000 0.245 313 S C 0.125 174.732 174.600 0.010 0.000 1.008 313 S CA -0.229 57.999 58.200 0.047 0.000 1.089 313 S CB 0.050 63.339 63.200 0.148 0.000 0.798 313 S HN 0.122 nan 8.310 nan 0.000 0.477 325 N N 0.707 119.385 118.700 -0.037 0.000 2.469 325 N HA 0.322 5.054 4.740 -0.013 0.000 0.239 325 N C -0.565 175.001 175.510 0.093 0.000 1.053 325 N CA -0.129 52.955 53.050 0.058 0.000 0.937 325 N CB 0.259 38.773 38.487 0.045 0.000 1.163 325 N HN 0.133 nan 8.380 nan 0.000 0.509 326 F N 1.730 121.792 119.950 0.188 0.000 2.797 326 F HA 0.105 4.624 4.527 -0.013 0.000 0.302 326 F C 1.379 177.250 175.800 0.118 0.000 1.130 326 F CA -0.073 58.016 58.000 0.148 0.000 1.387 326 F CB 0.364 39.333 39.000 -0.052 0.000 1.107 326 F HN 0.468 nan 8.300 nan 0.000 0.577 327 D N 0.481 121.024 120.400 0.238 0.000 2.182 327 D HA -0.179 4.454 4.640 -0.013 0.000 0.201 327 D C 2.208 178.606 176.300 0.162 0.000 0.986 327 D CA 1.329 55.426 54.000 0.162 0.000 0.847 327 D CB -0.146 40.724 40.800 0.116 0.000 0.942 327 D HN 0.231 nan 8.370 nan 0.000 0.467 328 A N -0.781 122.165 122.820 0.210 0.000 2.218 328 A HA 0.077 4.389 4.320 -0.013 0.000 0.209 328 A C 1.649 179.374 177.584 0.234 0.000 1.168 328 A CA -0.192 51.970 52.037 0.209 0.000 0.804 328 A CB -0.769 18.355 19.000 0.207 0.000 0.834 328 A HN 0.212 nan 8.150 nan 0.000 0.482 329 F N 1.894 121.830 119.950 -0.024 0.000 2.065 329 F HA -0.159 4.361 4.527 -0.013 0.000 0.298 329 F C -0.747 174.957 175.800 -0.161 0.000 1.112 329 F CA 2.663 60.430 58.000 -0.389 0.000 1.212 329 F CB -0.610 38.142 39.000 -0.414 0.000 0.975 329 F HN 0.201 nan 8.300 nan 0.000 0.476 330 P HA -0.093 nan 4.420 nan 0.000 0.226 330 P C 0.741 178.009 177.300 -0.053 0.000 1.153 330 P CA 1.435 64.517 63.100 -0.031 0.000 0.777 330 P CB -0.082 31.622 31.700 0.006 0.000 0.794 331 D N -0.678 119.712 120.400 -0.016 0.000 2.277 331 D HA -0.047 4.585 4.640 -0.013 0.000 0.208 331 D C 1.507 177.800 176.300 -0.012 0.000 0.962 331 D CA 0.975 54.975 54.000 0.000 0.000 0.865 331 D CB 0.080 40.900 40.800 0.032 0.000 0.939 331 D HN 0.158 nan 8.370 nan 0.000 0.510 332 K N -0.010 120.364 120.400 -0.043 0.000 2.402 332 K HA 0.208 4.521 4.320 -0.013 0.000 0.203 332 K C -0.133 176.392 176.600 -0.124 0.000 1.077 332 K CA 0.070 56.340 56.287 -0.029 0.000 1.051 332 K CB 2.380 34.957 32.500 0.129 0.000 0.907 332 K HN -0.063 nan 8.250 nan 0.000 0.554 333 V N 1.118 120.871 119.914 -0.268 0.000 2.577 333 V HA 0.596 4.708 4.120 -0.013 0.000 0.303 333 V C -1.006 175.005 176.094 -0.138 0.000 1.042 333 V CA -1.253 60.881 62.300 -0.276 0.000 0.872 333 V CB 1.776 33.120 31.823 -0.798 0.000 0.998 333 V HN 0.114 nan 8.190 nan 0.000 0.423 334 A N 5.795 128.586 122.820 -0.048 0.000 2.343 334 A HA 0.929 5.241 4.320 -0.013 0.000 0.316 334 A C -0.923 176.691 177.584 0.051 0.000 1.104 334 A CA -0.498 51.543 52.037 0.007 0.000 0.768 334 A CB 0.965 19.924 19.000 -0.068 0.000 1.213 334 A HN 0.776 nan 8.150 nan 0.000 0.456 335 I N 1.825 122.466 120.570 0.118 0.000 2.382 335 I HA 0.295 4.458 4.170 -0.013 0.000 0.286 335 I C -0.304 175.904 176.117 0.151 0.000 1.002 335 I CA -0.540 60.837 61.300 0.128 0.000 1.135 335 I CB 1.914 39.967 38.000 0.089 0.000 1.288 335 I HN 0.686 nan 8.210 nan 0.000 0.448 336 Q N 6.837 126.722 119.800 0.142 0.000 2.340 336 Q HA 0.498 4.830 4.340 -0.013 0.000 0.259 336 Q C -1.297 174.690 176.000 -0.021 0.000 0.964 336 Q CA -0.258 55.647 55.803 0.171 0.000 0.900 336 Q CB 1.231 30.174 28.738 0.342 0.000 1.228 336 Q HN 0.566 nan 8.270 nan 0.000 0.449 337 L N 3.695 124.947 121.223 0.048 0.000 2.260 337 L HA 0.394 4.727 4.340 -0.013 0.000 0.289 337 L C 0.108 176.997 176.870 0.031 0.000 1.057 337 L CA -0.727 54.136 54.840 0.038 0.000 0.811 337 L CB 0.611 42.741 42.059 0.118 0.000 1.184 337 L HN 0.551 nan 8.230 nan 0.000 0.429 338 N N 4.553 123.202 118.700 -0.085 0.000 2.508 338 N HA 0.059 4.791 4.740 -0.013 0.000 0.253 338 N C -0.118 175.408 175.510 0.027 0.000 1.145 338 N CA 0.493 53.540 53.050 -0.004 0.000 0.973 338 N CB -0.100 38.308 38.487 -0.132 0.000 1.305 338 N HN 0.653 nan 8.380 nan 0.000 0.506 339 D N -0.167 120.335 120.400 0.170 0.000 4.160 339 D HA -0.228 4.404 4.640 -0.013 0.000 0.291 339 D C 0.257 176.645 176.300 0.146 0.000 2.226 339 D CA 1.553 55.630 54.000 0.128 0.000 1.157 339 D CB -0.504 40.119 40.800 -0.295 0.000 1.020 339 D HN 0.507 nan 8.370 nan 0.000 1.219 340 T N -2.435 112.140 114.554 0.034 0.000 3.129 340 T HA 0.102 4.444 4.350 -0.013 0.000 0.251 340 T C 1.601 176.372 174.700 0.118 0.000 1.117 340 T CA 1.418 63.531 62.100 0.022 0.000 1.034 340 T CB -0.493 68.359 68.868 -0.026 0.000 0.968 340 T HN 0.490 nan 8.240 nan 0.000 0.526 341 H N 2.629 121.792 119.070 0.156 0.000 2.352 341 H HA 0.000 4.548 4.556 -0.013 0.000 0.299 341 H C -0.881 174.539 175.328 0.153 0.000 1.097 341 H CA 0.999 57.153 56.048 0.176 0.000 1.311 341 H CB -0.936 28.930 29.762 0.173 0.000 1.377 341 H HN 0.436 nan 8.280 nan 0.000 0.504 342 P HA 0.082 nan 4.420 nan 0.000 0.254 342 P C 0.697 178.040 177.300 0.071 0.000 1.620 342 P CA 0.324 63.503 63.100 0.133 0.000 1.050 342 P CB 0.305 32.073 31.700 0.113 0.000 1.539 343 S N -0.274 115.462 115.700 0.060 0.000 2.440 343 S HA -0.134 4.328 4.470 -0.013 0.000 0.238 343 S C 1.731 176.327 174.600 -0.005 0.000 1.010 343 S CA 0.814 59.009 58.200 -0.010 0.000 0.972 343 S CB -1.476 61.697 63.200 -0.046 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 1.025 122.258 121.223 0.017 0.000 2.456 344 L HA 0.028 4.360 4.340 -0.013 0.000 0.224 344 L C 2.931 179.820 176.870 0.032 0.000 1.148 344 L CA 0.622 55.467 54.840 0.009 0.000 0.825 344 L CB -0.757 41.304 42.059 0.002 0.000 0.937 344 L HN 0.466 nan 8.230 nan 0.000 0.450 345 A N 0.556 123.382 122.820 0.010 0.000 1.986 345 A HA -0.212 4.100 4.320 -0.013 0.000 0.220 345 A C 2.180 179.755 177.584 -0.014 0.000 1.171 345 A CA 1.617 53.647 52.037 -0.012 0.000 0.640 345 A CB -0.493 18.494 19.000 -0.021 0.000 0.811 345 A HN 0.386 nan 8.150 nan 0.000 0.451 346 I N 0.184 120.747 120.570 -0.011 0.000 2.133 346 I HA -0.129 4.033 4.170 -0.013 0.000 0.238 346 I C -0.360 175.769 176.117 0.021 0.000 1.074 346 I CA 1.452 62.742 61.300 -0.016 0.000 1.342 346 I CB -0.943 37.047 38.000 -0.017 0.000 1.053 346 I HN 0.235 nan 8.210 nan 0.000 0.404 347 P HA -0.166 nan 4.420 nan 0.000 0.221 347 P C 1.280 178.630 177.300 0.083 0.000 1.150 347 P CA 1.465 64.610 63.100 0.075 0.000 0.800 347 P CB 0.047 31.811 31.700 0.108 0.000 0.787 348 E N 0.301 120.601 120.200 0.168 0.000 2.047 348 E HA -0.157 4.186 4.350 -0.013 0.000 0.191 348 E C 1.932 178.527 176.600 -0.010 0.000 0.987 348 E CA 0.707 57.219 56.400 0.187 0.000 0.799 348 E CB -1.245 28.591 29.700 0.227 0.000 0.752 348 E HN -0.015 nan 8.360 nan 0.000 0.449 349 L N 0.039 121.220 121.223 -0.071 0.000 2.012 349 L HA -0.143 4.190 4.340 -0.013 0.000 0.210 349 L C 2.117 178.844 176.870 -0.239 0.000 1.073 349 L CA 1.865 56.600 54.840 -0.174 0.000 0.748 349 L CB -0.654 41.300 42.059 -0.175 0.000 0.891 349 L HN 0.246 nan 8.230 nan 0.000 0.431 350 M N -0.766 118.710 119.600 -0.207 0.000 2.080 350 M HA -0.237 4.236 4.480 -0.013 0.000 0.260 350 M C 2.442 178.580 176.300 -0.270 0.000 1.068 350 M CA 1.653 56.780 55.300 -0.290 0.000 1.109 350 M CB -1.264 31.154 32.600 -0.303 0.000 1.342 350 M HN 0.349 nan 8.290 nan 0.000 0.405 351 R N 0.034 120.409 120.500 -0.209 0.000 2.080 351 R HA -0.140 4.192 4.340 -0.013 0.000 0.236 351 R C 2.090 178.288 176.300 -0.169 0.000 1.137 351 R CA 1.836 57.814 56.100 -0.204 0.000 0.943 351 R CB -0.246 29.887 30.300 -0.278 0.000 0.846 351 R HN 0.220 nan 8.270 nan 0.000 0.431 352 V N 1.556 121.370 119.914 -0.166 0.000 2.287 352 V HA -0.274 3.839 4.120 -0.013 0.000 0.248 352 V C 2.454 178.384 176.094 -0.273 0.000 1.053 352 V CA 1.849 64.041 62.300 -0.180 0.000 1.027 352 V CB -0.468 31.247 31.823 -0.179 0.000 0.646 352 V HN 0.353 nan 8.190 nan 0.000 0.447 353 L N -0.599 120.397 121.223 -0.379 0.000 2.046 353 L HA -0.136 4.197 4.340 -0.013 0.000 0.208 353 L C 2.392 179.073 176.870 -0.316 0.000 1.077 353 L CA 1.155 55.701 54.840 -0.490 0.000 0.747 353 L CB -0.575 41.148 42.059 -0.560 0.000 0.896 353 L HN 0.216 nan 8.230 nan 0.000 0.432 354 V N -0.666 119.109 119.914 -0.232 0.000 2.331 354 V HA -0.172 3.940 4.120 -0.013 0.000 0.242 354 V C 1.929 177.980 176.094 -0.071 0.000 1.034 354 V CA 1.643 63.871 62.300 -0.120 0.000 1.027 354 V CB -0.330 31.455 31.823 -0.064 0.000 0.667 354 V HN 0.348 nan 8.190 nan 0.000 0.457 355 D N -0.120 120.232 120.400 -0.079 0.000 2.162 355 D HA 0.017 4.649 4.640 -0.013 0.000 0.203 355 D C 2.021 178.293 176.300 -0.046 0.000 0.967 355 D CA 1.087 55.058 54.000 -0.048 0.000 0.840 355 D CB 0.138 40.907 40.800 -0.051 0.000 0.972 355 D HN 0.325 nan 8.370 nan 0.000 0.482 356 L N 0.226 121.406 121.223 -0.071 0.000 2.362 356 L HA 0.111 4.444 4.340 -0.013 0.000 0.204 356 L C 1.886 178.727 176.870 -0.048 0.000 1.060 356 L CA 0.493 55.302 54.840 -0.051 0.000 0.827 356 L CB 0.109 42.139 42.059 -0.050 0.000 1.027 356 L HN -0.198 nan 8.230 nan 0.000 0.474 357 E N 0.357 120.495 120.200 -0.105 0.000 2.442 357 E HA 0.033 4.375 4.350 -0.013 0.000 0.195 357 E C 0.100 176.667 176.600 -0.055 0.000 1.030 357 E CA -0.022 56.326 56.400 -0.088 0.000 0.869 357 E CB 0.350 29.884 29.700 -0.278 0.000 0.857 357 E HN 0.196 nan 8.360 nan 0.000 0.505 358 R N -0.247 120.216 120.500 -0.063 0.000 3.656 358 R HA -0.185 4.147 4.340 -0.013 0.000 0.297 358 R C -0.320 175.967 176.300 -0.021 0.000 1.166 358 R CA 0.239 56.325 56.100 -0.024 0.000 0.799 358 R CB -2.868 27.436 30.300 0.006 0.000 1.285 358 R HN 0.091 nan 8.270 nan 0.000 0.477 359 L N 2.323 123.504 121.223 -0.070 0.000 2.436 359 L HA 0.116 4.448 4.340 -0.013 0.000 0.265 359 L C 1.498 178.362 176.870 -0.010 0.000 1.168 359 L CA 0.349 55.158 54.840 -0.053 0.000 0.815 359 L CB 0.382 42.360 42.059 -0.135 0.000 1.109 359 L HN 0.140 nan 8.230 nan 0.000 0.462 360 D N 1.215 121.634 120.400 0.032 0.000 2.368 360 D HA -0.152 4.480 4.640 -0.013 0.000 0.240 360 D C 0.895 177.266 176.300 0.118 0.000 1.169 360 D CA -0.493 53.561 54.000 0.090 0.000 0.906 360 D CB 0.714 41.571 40.800 0.095 0.000 1.187 360 D HN 0.615 nan 8.370 nan 0.000 0.435 361 W N 1.861 123.165 121.300 0.007 0.000 2.317 361 W HA -0.224 4.428 4.660 -0.013 0.000 0.318 361 W C 1.119 177.685 176.519 0.077 0.000 1.227 361 W CA 1.874 59.231 57.345 0.020 0.000 1.269 361 W CB -0.278 29.174 29.460 -0.013 0.000 1.155 361 W HN 0.460 nan 8.180 nan 0.000 0.484 362 D N 0.307 120.905 120.400 0.330 0.000 2.123 362 D HA -0.205 4.428 4.640 -0.013 0.000 0.196 362 D C 1.878 178.282 176.300 0.172 0.000 0.992 362 D CA 1.942 56.108 54.000 0.276 0.000 0.833 362 D CB -0.400 40.533 40.800 0.221 0.000 0.954 362 D HN 0.087 nan 8.370 nan 0.000 0.455 363 K N 1.183 121.643 120.400 0.098 0.000 2.025 363 K HA 0.024 4.337 4.320 -0.013 0.000 0.207 363 K C 1.864 178.453 176.600 -0.018 0.000 1.049 363 K CA 1.441 57.757 56.287 0.049 0.000 0.933 363 K CB -0.585 31.940 32.500 0.042 0.000 0.714 363 K HN -0.011 nan 8.250 nan 0.000 0.438 364 A N 0.771 123.538 122.820 -0.089 0.000 1.908 364 A HA -0.208 4.104 4.320 -0.013 0.000 0.218 364 A C 2.264 179.745 177.584 -0.172 0.000 1.181 364 A CA 1.628 53.540 52.037 -0.209 0.000 0.627 364 A CB -1.270 17.540 19.000 -0.316 0.000 0.818 364 A HN 0.709 nan 8.150 nan 0.000 0.445 365 W N 0.614 121.705 121.300 -0.349 0.000 2.358 365 W HA -0.173 4.480 4.660 -0.013 0.000 0.303 365 W C 2.022 178.482 176.519 -0.099 0.000 1.208 365 W CA 1.848 59.038 57.345 -0.259 0.000 1.274 365 W CB -0.145 29.200 29.460 -0.192 0.000 1.138 365 W HN 0.634 nan 8.180 nan 0.000 0.515 366 E N 0.153 120.340 120.200 -0.021 0.000 2.058 366 E HA -0.230 4.112 4.350 -0.013 0.000 0.194 366 E C 2.043 178.564 176.600 -0.132 0.000 0.997 366 E CA 2.017 58.373 56.400 -0.073 0.000 0.801 366 E CB -0.364 29.353 29.700 0.028 0.000 0.746 366 E HN 0.051 nan 8.360 nan 0.000 0.450 367 V N 0.830 120.681 119.914 -0.106 0.000 2.295 367 V HA -0.276 3.837 4.120 -0.013 0.000 0.246 367 V C 2.427 178.450 176.094 -0.118 0.000 1.049 367 V CA 2.239 64.493 62.300 -0.077 0.000 1.024 367 V CB -0.835 30.935 31.823 -0.090 0.000 0.648 367 V HN 0.405 nan 8.190 nan 0.000 0.447 368 T N 0.030 114.438 114.554 -0.244 0.000 2.652 368 T HA -0.193 4.149 4.350 -0.013 0.000 0.267 368 T C 1.943 176.459 174.700 -0.307 0.000 1.039 368 T CA 1.833 63.762 62.100 -0.286 0.000 1.153 368 T CB -0.339 68.291 68.868 -0.395 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.428 369 V N 1.457 121.072 119.914 -0.499 0.000 2.287 369 V HA -0.199 3.913 4.120 -0.013 0.000 0.248 369 V C 2.390 178.445 176.094 -0.065 0.000 1.053 369 V CA 1.708 63.779 62.300 -0.381 0.000 1.027 369 V CB -0.512 31.011 31.823 -0.500 0.000 0.646 369 V HN 0.474 nan 8.190 nan 0.000 0.447 370 K N -0.507 119.834 120.400 -0.099 0.000 2.283 370 K HA -0.106 4.206 4.320 -0.013 0.000 0.202 370 K C 2.099 178.665 176.600 -0.056 0.000 1.048 370 K CA 1.618 57.824 56.287 -0.134 0.000 0.948 370 K CB -0.243 32.182 32.500 -0.126 0.000 0.742 370 K HN 0.485 nan 8.250 nan 0.000 0.458 371 T N 0.189 114.773 114.554 0.051 0.000 2.939 371 T HA 0.012 4.354 4.350 -0.013 0.000 0.254 371 T C 0.924 175.736 174.700 0.186 0.000 1.041 371 T CA 0.432 62.600 62.100 0.114 0.000 1.142 371 T CB 0.091 69.062 68.868 0.172 0.000 0.874 371 T HN 0.168 nan 8.240 nan 0.000 0.452 372 C N 2.347 121.738 119.300 0.152 0.000 2.365 372 C HA 0.879 5.332 4.460 -0.013 0.000 0.351 372 C C 0.590 175.630 174.990 0.083 0.000 1.240 372 C CA -1.259 57.823 59.018 0.107 0.000 2.062 372 C CB 0.100 27.841 27.740 0.001 0.000 2.387 372 C HN 0.592 nan 8.230 nan 0.000 0.537 373 A N 2.148 125.011 122.820 0.072 0.000 2.475 373 A HA 0.777 5.090 4.320 -0.013 0.000 0.301 373 A C -1.557 176.088 177.584 0.102 0.000 1.059 373 A CA -0.427 51.597 52.037 -0.022 0.000 0.710 373 A CB 1.072 20.061 19.000 -0.019 0.000 1.288 373 A HN 0.946 nan 8.150 nan 0.000 0.408 374 Y N 1.035 121.274 120.300 -0.103 0.000 2.361 374 Y HA 0.626 5.168 4.550 -0.013 0.000 0.337 374 Y C -0.561 175.306 175.900 -0.055 0.000 0.965 374 Y CA -0.299 57.751 58.100 -0.083 0.000 1.091 374 Y CB 2.051 40.417 38.460 -0.156 0.000 1.182 374 Y HN 0.566 nan 8.280 nan 0.000 0.450 375 T N 6.616 120.922 114.554 -0.413 0.000 2.758 375 T HA 0.187 4.529 4.350 -0.013 0.000 0.285 375 T C -0.741 173.469 174.700 -0.816 0.000 0.981 375 T CA -0.779 61.026 62.100 -0.493 0.000 0.965 375 T CB 0.406 69.228 68.868 -0.078 0.000 0.927 375 T HN 0.653 nan 8.240 nan 0.000 0.448 376 N N 1.792 120.016 118.700 -0.793 0.000 2.479 376 N HA 0.126 4.858 4.740 -0.013 0.000 0.285 376 N C 0.034 175.396 175.510 -0.247 0.000 1.075 376 N CA -0.301 52.519 53.050 -0.383 0.000 0.967 376 N CB 0.760 39.213 38.487 -0.058 0.000 1.137 376 N HN 0.664 nan 8.380 nan 0.000 0.472 377 H N 0.923 120.008 119.070 0.025 0.000 2.893 377 H HA 0.173 4.721 4.556 -0.013 0.000 0.270 377 H C -0.218 175.025 175.328 -0.142 0.000 1.095 377 H CA -0.004 56.008 56.048 -0.061 0.000 1.186 377 H CB 1.162 30.898 29.762 -0.043 0.000 1.562 377 H HN 0.508 nan 8.280 nan 0.000 0.536 378 T N 0.261 114.836 114.554 0.035 0.000 2.830 378 T HA 0.237 4.579 4.350 -0.013 0.000 0.322 378 T C 0.411 175.133 174.700 0.037 0.000 1.501 378 T CA -0.348 61.727 62.100 -0.043 0.000 1.036 378 T CB 1.404 70.234 68.868 -0.063 0.000 1.379 378 T HN -0.037 nan 8.240 nan 0.000 0.493 379 V N 1.579 121.474 119.914 -0.031 0.000 3.528 379 V HA 0.559 4.672 4.120 -0.013 0.000 0.294 379 V C 0.569 176.616 176.094 -0.078 0.000 1.404 379 V CA 0.002 62.270 62.300 -0.053 0.000 1.065 379 V CB -0.347 31.450 31.823 -0.045 0.000 0.904 379 V HN 0.677 nan 8.190 nan 0.000 0.435 380 L N 3.209 124.376 121.223 -0.093 0.000 2.500 380 L HA 0.249 4.582 4.340 -0.013 0.000 0.272 380 L C -0.651 176.196 176.870 -0.038 0.000 1.149 380 L CA -1.071 53.733 54.840 -0.060 0.000 0.897 380 L CB 0.990 42.998 42.059 -0.085 0.000 1.178 380 L HN 0.141 nan 8.230 nan 0.000 0.473 381 P HA -0.200 nan 4.420 nan 0.000 0.218 381 P C 0.953 178.215 177.300 -0.063 0.000 1.149 381 P CA 1.160 64.235 63.100 -0.041 0.000 0.817 381 P CB 0.090 31.776 31.700 -0.022 0.000 0.785 382 E N 0.334 120.514 120.200 -0.032 0.000 2.478 382 E HA -0.033 4.309 4.350 -0.013 0.000 0.198 382 E C 1.530 178.027 176.600 -0.172 0.000 1.046 382 E CA 0.954 57.286 56.400 -0.112 0.000 0.870 382 E CB -0.660 29.078 29.700 0.062 0.000 0.818 382 E HN 0.198 nan 8.360 nan 0.000 0.527 383 A N 1.188 123.966 122.820 -0.069 0.000 2.220 383 A HA 0.248 4.561 4.320 -0.013 0.000 0.211 383 A C 1.282 178.825 177.584 -0.068 0.000 1.176 383 A CA -0.347 51.677 52.037 -0.021 0.000 0.834 383 A CB -0.029 18.986 19.000 0.025 0.000 0.868 383 A HN 0.146 nan 8.150 nan 0.000 0.488 384 L N 1.540 122.675 121.223 -0.146 0.000 2.410 384 L HA 0.127 4.459 4.340 -0.013 0.000 0.273 384 L C -0.069 176.455 176.870 -0.576 0.000 1.152 384 L CA -0.098 54.606 54.840 -0.227 0.000 0.855 384 L CB 0.486 42.448 42.059 -0.163 0.000 1.129 384 L HN 0.340 nan 8.230 nan 0.000 0.463 385 E N 4.143 123.929 120.200 -0.691 0.000 2.217 385 E HA 0.208 4.550 4.350 -0.013 0.000 0.279 385 E C -0.567 175.374 176.600 -1.098 0.000 1.068 385 E CA -0.137 55.407 56.400 -1.426 0.000 0.882 385 E CB 0.690 29.940 29.700 -0.750 0.000 1.039 385 E HN 0.394 nan 8.360 nan 0.000 0.418 386 R N 3.684 123.359 120.500 -1.375 0.000 2.487 386 R HA 0.183 4.515 4.340 -0.013 0.000 0.288 386 R C -1.261 174.871 176.300 -0.280 0.000 1.394 386 R CA -0.535 55.238 56.100 -0.544 0.000 1.155 386 R CB 0.741 30.853 30.300 -0.314 0.000 1.156 386 R HN 0.454 nan 8.270 nan 0.000 0.553 387 W N 4.360 125.623 121.300 -0.062 0.000 2.304 387 W HA 0.242 4.894 4.660 -0.013 0.000 0.313 387 W C -1.861 174.653 176.519 -0.008 0.000 1.323 387 W CA -2.049 55.334 57.345 0.063 0.000 1.223 387 W CB 0.631 30.100 29.460 0.015 0.000 1.237 387 W HN 0.240 nan 8.180 nan 0.000 0.535 388 P HA -0.101 nan 4.420 nan 0.000 0.264 388 P C 0.807 178.069 177.300 -0.062 0.000 1.193 388 P CA 0.248 63.347 63.100 -0.001 0.000 0.763 388 P CB 0.725 32.264 31.700 -0.269 0.000 0.810 389 V N 3.346 123.270 119.914 0.016 0.000 2.392 389 V HA -0.289 3.824 4.120 -0.013 0.000 0.249 389 V C 2.150 178.260 176.094 0.026 0.000 1.059 389 V CA 2.567 64.892 62.300 0.042 0.000 1.051 389 V CB -1.689 30.218 31.823 0.140 0.000 0.658 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -1.040 118.095 119.070 0.108 0.000 2.421 390 H HA -0.100 4.449 4.556 -0.013 0.000 0.298 390 H C 2.044 177.429 175.328 0.094 0.000 1.087 390 H CA 1.685 57.792 56.048 0.098 0.000 1.330 390 H CB -0.613 29.207 29.762 0.097 0.000 1.388 390 H HN 0.350 nan 8.280 nan 0.000 0.526 391 L N 0.028 121.092 121.223 -0.264 0.000 2.017 391 L HA -0.121 4.212 4.340 -0.013 0.000 0.208 391 L C 2.409 179.240 176.870 -0.065 0.000 1.073 391 L CA 1.193 55.983 54.840 -0.083 0.000 0.745 391 L CB -0.282 41.726 42.059 -0.084 0.000 0.894 391 L HN 0.328 nan 8.230 nan 0.000 0.432 392 L N -0.692 120.470 121.223 -0.103 0.000 2.141 392 L HA -0.217 4.115 4.340 -0.013 0.000 0.209 392 L C 2.473 179.287 176.870 -0.093 0.000 1.094 392 L CA 0.996 55.749 54.840 -0.145 0.000 0.763 392 L CB -0.390 41.569 42.059 -0.166 0.000 0.908 392 L HN 0.324 nan 8.230 nan 0.000 0.437 393 E N -0.354 119.834 120.200 -0.020 0.000 2.077 393 E HA -0.192 4.150 4.350 -0.013 0.000 0.193 393 E C 1.902 178.545 176.600 0.072 0.000 0.989 393 E CA 1.810 58.228 56.400 0.031 0.000 0.800 393 E CB 0.176 29.932 29.700 0.094 0.000 0.746 393 E HN 0.432 nan 8.360 nan 0.000 0.452 394 T N 0.758 115.379 114.554 0.111 0.000 2.852 394 T HA -0.076 4.267 4.350 -0.013 0.000 0.256 394 T C 1.737 176.565 174.700 0.213 0.000 1.038 394 T CA 0.672 62.893 62.100 0.201 0.000 1.141 394 T CB -0.137 68.881 68.868 0.250 0.000 0.869 394 T HN 0.067 nan 8.240 nan 0.000 0.439 395 L N -0.000 121.249 121.223 0.043 0.000 2.095 395 L HA 0.351 4.683 4.340 -0.013 0.000 0.204 395 L C 0.438 177.264 176.870 -0.074 0.000 1.080 395 L CA 1.585 56.337 54.840 -0.147 0.000 0.759 395 L CB 0.004 41.938 42.059 -0.209 0.000 0.914 395 L HN 0.179 nan 8.230 nan 0.000 0.439 396 L N 0.652 121.791 121.223 -0.139 0.000 2.551 396 L HA 0.285 4.618 4.340 -0.013 0.000 0.248 396 L C -1.714 174.980 176.870 -0.292 0.000 1.509 396 L CA -0.938 53.736 54.840 -0.278 0.000 0.842 396 L CB 0.904 42.662 42.059 -0.501 0.000 1.087 396 L HN -0.049 nan 8.230 nan 0.000 0.512 397 P HA -0.195 nan 4.420 nan 0.000 0.216 397 P C 1.488 178.582 177.300 -0.344 0.000 1.150 397 P CA 1.178 64.153 63.100 -0.208 0.000 0.837 397 P CB 0.362 32.017 31.700 -0.075 0.000 0.786 398 R N -0.299 119.799 120.500 -0.670 0.000 2.092 398 R HA -0.144 4.188 4.340 -0.013 0.000 0.231 398 R C 2.333 178.299 176.300 -0.558 0.000 1.119 398 R CA 1.576 57.283 56.100 -0.655 0.000 0.970 398 R CB -1.349 28.386 30.300 -0.942 0.000 0.864 398 R HN 0.235 nan 8.270 nan 0.000 0.440 399 H N -0.266 118.485 119.070 -0.532 0.000 2.387 399 H HA -0.059 4.490 4.556 -0.013 0.000 0.299 399 H C 1.829 176.980 175.328 -0.295 0.000 1.090 399 H CA 1.642 57.466 56.048 -0.374 0.000 1.332 399 H CB -0.111 29.395 29.762 -0.426 0.000 1.386 399 H HN 0.099 nan 8.280 nan 0.000 0.516 400 L N 0.561 121.650 121.223 -0.223 0.000 2.042 400 L HA -0.267 4.065 4.340 -0.013 0.000 0.210 400 L C 1.949 178.593 176.870 -0.376 0.000 1.076 400 L CA 1.648 56.279 54.840 -0.348 0.000 0.749 400 L CB -0.294 41.573 42.059 -0.319 0.000 0.893 400 L HN 0.459 nan 8.230 nan 0.000 0.432 401 Q N -0.357 119.341 119.800 -0.171 0.000 2.084 401 Q HA -0.236 4.097 4.340 -0.013 0.000 0.202 401 Q C 2.167 178.182 176.000 0.024 0.000 0.978 401 Q CA 1.628 57.430 55.803 -0.001 0.000 0.844 401 Q CB -0.121 28.629 28.738 0.021 0.000 0.898 401 Q HN 0.550 nan 8.270 nan 0.000 0.426 402 I N 0.473 121.040 120.570 -0.004 0.000 2.226 402 I HA -0.281 3.882 4.170 -0.013 0.000 0.245 402 I C 2.150 178.352 176.117 0.142 0.000 1.100 402 I CA 1.095 62.483 61.300 0.147 0.000 1.374 402 I CB -0.146 37.894 38.000 0.067 0.000 1.057 402 I HN 0.189 nan 8.210 nan 0.000 0.413 403 I N -0.596 119.973 120.570 -0.002 0.000 2.226 403 I HA -0.315 3.847 4.170 -0.013 0.000 0.245 403 I C 2.380 178.525 176.117 0.048 0.000 1.100 403 I CA 1.357 62.647 61.300 -0.016 0.000 1.374 403 I CB -0.395 37.529 38.000 -0.126 0.000 1.057 403 I HN 0.160 nan 8.210 nan 0.000 0.413 404 Y N 0.898 121.207 120.300 0.015 0.000 2.145 404 Y HA -0.278 4.264 4.550 -0.013 0.000 0.286 404 Y C 2.623 178.493 175.900 -0.050 0.000 1.145 404 Y CA 1.571 59.665 58.100 -0.010 0.000 1.148 404 Y CB -0.844 37.602 38.460 -0.024 0.000 0.981 404 Y HN 0.195 nan 8.280 nan 0.000 0.507 405 E N 0.383 120.627 120.200 0.073 0.000 2.077 405 E HA -0.149 4.194 4.350 -0.013 0.000 0.193 405 E C 2.084 178.612 176.600 -0.121 0.000 0.989 405 E CA 1.287 57.588 56.400 -0.165 0.000 0.800 405 E CB -0.554 28.861 29.700 -0.474 0.000 0.746 405 E HN 0.474 nan 8.360 nan 0.000 0.452 406 I N 0.689 121.294 120.570 0.058 0.000 2.163 406 I HA -0.305 3.858 4.170 -0.013 0.000 0.243 406 I C 2.281 178.406 176.117 0.014 0.000 1.085 406 I CA 1.431 62.716 61.300 -0.024 0.000 1.347 406 I CB -0.415 37.582 38.000 -0.006 0.000 1.044 406 I HN 0.218 nan 8.210 nan 0.000 0.408 407 N N 0.709 119.464 118.700 0.092 0.000 2.084 407 N HA -0.265 4.467 4.740 -0.013 0.000 0.190 407 N C 1.855 177.450 175.510 0.141 0.000 1.030 407 N CA 1.567 54.717 53.050 0.167 0.000 0.849 407 N CB -0.158 38.444 38.487 0.193 0.000 1.012 407 N HN 0.328 nan 8.380 nan 0.000 0.423 408 Q N 0.075 119.904 119.800 0.048 0.000 2.030 408 Q HA -0.135 4.197 4.340 -0.013 0.000 0.204 408 Q C 2.042 178.028 176.000 -0.025 0.000 0.986 408 Q CA 1.554 57.349 55.803 -0.012 0.000 0.843 408 Q CB -0.020 28.670 28.738 -0.080 0.000 0.904 408 Q HN 0.353 nan 8.270 nan 0.000 0.420 409 R N -0.724 119.740 120.500 -0.060 0.000 2.092 409 R HA -0.121 4.211 4.340 -0.013 0.000 0.231 409 R C 2.175 178.496 176.300 0.034 0.000 1.119 409 R CA 1.333 57.394 56.100 -0.065 0.000 0.970 409 R CB -0.379 29.828 30.300 -0.154 0.000 0.864 409 R HN 0.290 nan 8.270 nan 0.000 0.440 410 F N 1.411 121.331 119.950 -0.050 0.000 2.113 410 F HA -0.105 4.414 4.527 -0.013 0.000 0.297 410 F C 1.831 177.652 175.800 0.036 0.000 1.103 410 F CA 1.362 59.381 58.000 0.032 0.000 1.248 410 F CB -0.171 38.880 39.000 0.085 0.000 0.999 410 F HN -0.111 nan 8.300 nan 0.000 0.475 411 L N -0.034 121.203 121.223 0.022 0.000 2.201 411 L HA -0.221 4.111 4.340 -0.013 0.000 0.212 411 L C 1.979 178.787 176.870 -0.103 0.000 1.105 411 L CA 1.457 56.251 54.840 -0.077 0.000 0.775 411 L CB -0.858 41.218 42.059 0.028 0.000 0.913 411 L HN 0.260 nan 8.230 nan 0.000 0.440 412 N N -0.197 118.459 118.700 -0.073 0.000 2.188 412 N HA -0.161 4.571 4.740 -0.013 0.000 0.184 412 N C 1.914 177.372 175.510 -0.087 0.000 1.018 412 N CA 0.723 53.731 53.050 -0.070 0.000 0.858 412 N CB 0.014 38.467 38.487 -0.057 0.000 0.989 412 N HN 0.272 nan 8.380 nan 0.000 0.426 413 R N 0.564 120.992 120.500 -0.119 0.000 2.081 413 R HA -0.053 4.279 4.340 -0.013 0.000 0.235 413 R C 2.173 178.377 176.300 -0.160 0.000 1.131 413 R CA 0.866 56.890 56.100 -0.128 0.000 0.960 413 R CB -0.248 29.978 30.300 -0.123 0.000 0.856 413 R HN 0.078 nan 8.270 nan 0.000 0.436 414 V N 0.799 120.565 119.914 -0.246 0.000 2.307 414 V HA -0.229 3.883 4.120 -0.013 0.000 0.245 414 V C 2.408 178.503 176.094 0.001 0.000 1.045 414 V CA 1.948 64.168 62.300 -0.134 0.000 1.024 414 V CB -0.725 30.942 31.823 -0.260 0.000 0.651 414 V HN 0.409 nan 8.190 nan 0.000 0.449 415 A N 0.020 122.812 122.820 -0.047 0.000 1.940 415 A HA -0.143 4.170 4.320 -0.013 0.000 0.219 415 A C 2.374 179.941 177.584 -0.028 0.000 1.176 415 A CA 2.209 54.234 52.037 -0.020 0.000 0.631 415 A CB -0.684 18.295 19.000 -0.035 0.000 0.814 415 A HN 0.586 nan 8.150 nan 0.000 0.446 416 A N -0.601 122.184 122.820 -0.058 0.000 1.929 416 A HA 0.317 4.629 4.320 -0.013 0.000 0.216 416 A C 2.407 179.913 177.584 -0.129 0.000 1.176 416 A CA 1.661 53.652 52.037 -0.076 0.000 0.628 416 A CB -0.720 18.238 19.000 -0.071 0.000 0.816 416 A HN 0.959 nan 8.150 nan 0.000 0.444 417 A N -1.470 121.240 122.820 -0.184 0.000 1.970 417 A HA 0.323 4.636 4.320 -0.013 0.000 0.216 417 A C 0.526 177.707 177.584 -0.672 0.000 1.170 417 A CA 0.608 52.380 52.037 -0.441 0.000 0.645 417 A CB -0.230 18.454 19.000 -0.527 0.000 0.816 417 A HN 0.428 nan 8.150 nan 0.000 0.447 418 F N 0.042 119.943 119.950 -0.080 0.000 2.523 418 F HA 0.344 4.863 4.527 -0.013 0.000 0.322 418 F C -2.757 173.006 175.800 -0.062 0.000 1.361 418 F CA -2.745 55.212 58.000 -0.071 0.000 1.151 418 F CB 0.794 39.744 39.000 -0.084 0.000 1.391 418 F HN -0.054 nan 8.300 nan 0.000 0.566 419 P HA 0.202 nan 4.420 nan 0.000 0.267 419 P C 1.014 178.333 177.300 0.032 0.000 1.205 419 P CA 0.924 64.036 63.100 0.020 0.000 0.765 419 P CB 0.975 32.667 31.700 -0.012 0.000 0.828 420 G N 2.453 111.265 108.800 0.020 0.000 2.234 420 G HA2 -0.250 3.702 3.960 -0.013 0.000 0.260 420 G HA3 -0.250 3.702 3.960 -0.013 0.000 0.260 420 G C 0.355 175.264 174.900 0.014 0.000 0.987 420 G CA 0.061 45.169 45.100 0.013 0.000 0.625 420 G HN 0.608 nan 8.290 nan 0.000 0.532 421 D N 1.491 121.908 120.400 0.029 0.000 2.498 421 D HA 0.368 5.000 4.640 -0.013 0.000 0.229 421 D C 2.089 178.377 176.300 -0.019 0.000 1.188 421 D CA 0.444 54.447 54.000 0.005 0.000 1.028 421 D CB 0.411 41.214 40.800 0.005 0.000 1.087 421 D HN 0.604 nan 8.370 nan 0.000 0.510 422 V N 0.799 120.704 119.914 -0.015 0.000 2.548 422 V HA -0.122 3.990 4.120 -0.013 0.000 0.249 422 V C 1.786 177.867 176.094 -0.022 0.000 1.055 422 V CA 1.429 63.719 62.300 -0.016 0.000 1.065 422 V CB -0.433 31.384 31.823 -0.009 0.000 0.681 422 V HN 0.215 nan 8.190 nan 0.000 0.462 423 D N 0.339 120.722 120.400 -0.028 0.000 2.183 423 D HA -0.146 4.486 4.640 -0.013 0.000 0.203 423 D C 2.322 178.592 176.300 -0.050 0.000 0.969 423 D CA 1.172 55.155 54.000 -0.028 0.000 0.842 423 D CB -0.191 40.594 40.800 -0.025 0.000 0.957 423 D HN 0.430 nan 8.370 nan 0.000 0.484 424 R N -0.116 120.329 120.500 -0.091 0.000 2.081 424 R HA -0.102 4.230 4.340 -0.013 0.000 0.235 424 R C 2.248 178.475 176.300 -0.123 0.000 1.131 424 R CA 0.951 56.958 56.100 -0.156 0.000 0.960 424 R CB -0.271 29.873 30.300 -0.260 0.000 0.856 424 R HN 0.254 nan 8.270 nan 0.000 0.436 425 L N 0.558 121.735 121.223 -0.077 0.000 2.042 425 L HA -0.224 4.109 4.340 -0.013 0.000 0.210 425 L C 2.686 179.559 176.870 0.005 0.000 1.076 425 L CA 1.953 56.768 54.840 -0.041 0.000 0.749 425 L CB -0.479 41.566 42.059 -0.024 0.000 0.893 425 L HN 0.306 nan 8.230 nan 0.000 0.432 426 R N -0.051 120.457 120.500 0.013 0.000 2.115 426 R HA -0.076 4.256 4.340 -0.013 0.000 0.226 426 R C 2.158 178.507 176.300 0.083 0.000 1.100 426 R CA 0.863 56.992 56.100 0.049 0.000 0.980 426 R CB -0.499 29.824 30.300 0.038 0.000 0.875 426 R HN 0.176 nan 8.270 nan 0.000 0.445 427 R N 0.162 120.692 120.500 0.051 0.000 2.092 427 R HA 0.094 4.426 4.340 -0.013 0.000 0.231 427 R C 1.983 178.369 176.300 0.144 0.000 1.119 427 R CA 1.801 57.955 56.100 0.090 0.000 0.970 427 R CB -0.186 30.126 30.300 0.019 0.000 0.864 427 R HN 0.332 nan 8.270 nan 0.000 0.440 428 M N 0.003 119.611 119.600 0.014 0.000 2.509 428 M HA 0.048 4.521 4.480 -0.013 0.000 0.250 428 M C 0.837 177.295 176.300 0.264 0.000 1.132 428 M CA -0.028 55.225 55.300 -0.079 0.000 1.080 428 M CB 0.503 32.898 32.600 -0.341 0.000 1.408 428 M HN -0.085 nan 8.290 nan 0.000 0.484 429 S N 1.132 116.996 115.700 0.273 0.000 2.558 429 S HA 0.048 4.510 4.470 -0.013 0.000 0.291 429 S C 1.174 176.026 174.600 0.421 0.000 1.306 429 S CA -0.234 58.151 58.200 0.308 0.000 1.056 429 S CB 0.558 63.880 63.200 0.204 0.000 0.836 429 S HN 0.364 nan 8.310 nan 0.000 0.504 430 L N 4.125 125.547 121.223 0.331 0.000 2.217 430 L HA 0.077 4.409 4.340 -0.013 0.000 0.211 430 L C 0.405 177.382 176.870 0.178 0.000 1.107 430 L CA 0.401 55.393 54.840 0.253 0.000 0.783 430 L CB -0.458 41.697 42.059 0.159 0.000 0.919 430 L HN 0.414 nan 8.230 nan 0.000 0.442 431 V N 1.003 121.035 119.914 0.196 0.000 2.383 431 V HA 0.142 4.255 4.120 -0.013 0.000 0.275 431 V C 0.118 176.298 176.094 0.143 0.000 1.036 431 V CA -0.547 61.858 62.300 0.175 0.000 0.889 431 V CB 1.248 33.207 31.823 0.226 0.000 0.985 431 V HN 0.184 nan 8.190 nan 0.000 0.459 432 E N 3.535 123.799 120.200 0.108 0.000 2.146 432 E HA 0.368 4.710 4.350 -0.013 0.000 0.282 432 E C -0.665 175.987 176.600 0.085 0.000 0.989 432 E CA -0.519 55.934 56.400 0.088 0.000 0.799 432 E CB 1.722 31.453 29.700 0.051 0.000 1.088 432 E HN 0.619 nan 8.360 nan 0.000 0.397 433 E N 1.046 121.293 120.200 0.078 0.000 2.349 433 E HA 0.561 4.903 4.350 -0.013 0.000 0.265 433 E C 0.158 176.795 176.600 0.061 0.000 1.064 433 E CA 0.282 56.723 56.400 0.068 0.000 0.886 433 E CB 1.461 31.194 29.700 0.056 0.000 1.036 433 E HN 0.647 nan 8.360 nan 0.000 0.413 434 G N -0.040 108.796 108.800 0.060 0.000 2.367 434 G HA2 0.331 4.283 3.960 -0.013 0.000 0.272 434 G HA3 0.331 4.283 3.960 -0.013 0.000 0.272 434 G C 0.262 175.197 174.900 0.059 0.000 1.271 434 G CA -0.032 45.101 45.100 0.055 0.000 0.893 434 G HN 0.538 nan 8.290 nan 0.000 0.485 435 A N -0.853 122.002 122.820 0.058 0.000 1.849 435 A HA 0.313 4.625 4.320 -0.013 0.000 0.217 435 A C 1.638 179.268 177.584 0.077 0.000 1.202 435 A CA 3.367 55.439 52.037 0.059 0.000 0.629 435 A CB -1.290 17.743 19.000 0.056 0.000 0.834 435 A HN 2.199 nan 8.150 nan 0.000 0.447 436 V N -2.566 117.407 119.914 0.098 0.000 2.435 436 V HA 0.496 4.608 4.120 -0.013 0.000 0.290 436 V C -0.394 175.777 176.094 0.129 0.000 1.030 436 V CA -1.387 60.996 62.300 0.139 0.000 0.881 436 V CB 1.287 33.229 31.823 0.198 0.000 0.983 436 V HN 0.329 nan 8.190 nan 0.000 0.445 437 K N 4.289 124.773 120.400 0.140 0.000 2.401 437 K HA 0.437 4.749 4.320 -0.013 0.000 0.278 437 K C -0.314 176.361 176.600 0.126 0.000 1.018 437 K CA -0.088 56.277 56.287 0.129 0.000 0.981 437 K CB 0.839 33.427 32.500 0.146 0.000 0.933 437 K HN 0.732 nan 8.250 nan 0.000 0.477 438 R N 1.708 122.269 120.500 0.102 0.000 2.854 438 R HA 0.472 4.804 4.340 -0.013 0.000 0.271 438 R C -0.495 175.848 176.300 0.071 0.000 0.994 438 R CA -1.036 55.112 56.100 0.082 0.000 0.945 438 R CB 1.328 31.656 30.300 0.046 0.000 1.194 438 R HN 0.375 nan 8.270 nan 0.000 0.476 439 I N 2.044 122.653 120.570 0.066 0.000 2.321 439 I HA 0.142 4.305 4.170 -0.013 0.000 0.291 439 I C -0.064 176.039 176.117 -0.022 0.000 0.998 439 I CA -0.714 60.611 61.300 0.042 0.000 1.227 439 I CB 1.028 39.054 38.000 0.044 0.000 1.368 439 I HN 0.493 nan 8.210 nan 0.000 0.466 440 N N 7.110 125.765 118.700 -0.076 0.000 2.402 440 N HA 0.092 4.824 4.740 -0.013 0.000 0.252 440 N C 0.800 176.209 175.510 -0.169 0.000 1.118 440 N CA -0.299 52.623 53.050 -0.213 0.000 0.945 440 N CB 0.973 39.185 38.487 -0.457 0.000 1.147 440 N HN 0.380 nan 8.380 nan 0.000 0.495 441 M N 2.405 121.908 119.600 -0.162 0.000 2.319 441 M HA -0.036 4.436 4.480 -0.013 0.000 0.265 441 M C 1.912 178.069 176.300 -0.238 0.000 1.068 441 M CA 0.621 55.845 55.300 -0.126 0.000 1.118 441 M CB -1.488 31.088 32.600 -0.041 0.000 1.395 441 M HN 0.598 nan 8.290 nan 0.000 0.435 442 A N -0.421 122.251 122.820 -0.246 0.000 1.930 442 A HA -0.168 4.144 4.320 -0.013 0.000 0.217 442 A C 1.981 179.320 177.584 -0.409 0.000 1.175 442 A CA 1.431 53.276 52.037 -0.321 0.000 0.627 442 A CB -1.100 17.918 19.000 0.029 0.000 0.815 442 A HN 0.592 nan 8.150 nan 0.000 0.443 443 H N -1.090 117.753 119.070 -0.379 0.000 2.389 443 H HA -0.010 4.538 4.556 -0.013 0.000 0.299 443 H C 2.121 177.215 175.328 -0.389 0.000 1.081 443 H CA 0.885 56.675 56.048 -0.430 0.000 1.345 443 H CB -0.046 29.688 29.762 -0.046 0.000 1.393 443 H HN 0.367 nan 8.280 nan 0.000 0.520 444 L N 0.458 121.592 121.223 -0.149 0.000 2.012 444 L HA -0.231 4.102 4.340 -0.013 0.000 0.210 444 L C 2.240 178.966 176.870 -0.240 0.000 1.073 444 L CA 1.352 56.103 54.840 -0.147 0.000 0.748 444 L CB -0.426 41.576 42.059 -0.094 0.000 0.891 444 L HN 0.444 nan 8.230 nan 0.000 0.431 445 C N 0.012 119.062 119.300 -0.416 0.000 2.429 445 C HA -0.169 4.283 4.460 -0.013 0.000 0.277 445 C C 2.669 177.377 174.990 -0.470 0.000 1.262 445 C CA 0.607 59.291 59.018 -0.557 0.000 1.733 445 C CB -0.747 26.270 27.740 -1.205 0.000 2.010 445 C HN 0.514 nan 8.230 nan 0.000 0.483 446 I N 1.412 121.653 120.570 -0.549 0.000 2.202 446 I HA -0.190 3.972 4.170 -0.013 0.000 0.242 446 I C 2.773 178.733 176.117 -0.261 0.000 1.091 446 I CA 1.610 62.641 61.300 -0.447 0.000 1.368 446 I CB -0.612 36.971 38.000 -0.695 0.000 1.058 446 I HN 0.257 nan 8.210 nan 0.000 0.410 447 A N 0.630 123.266 122.820 -0.306 0.000 1.908 447 A HA -0.150 4.162 4.320 -0.013 0.000 0.218 447 A C 2.212 179.851 177.584 0.091 0.000 1.181 447 A CA 2.063 53.974 52.037 -0.210 0.000 0.627 447 A CB -1.244 17.456 19.000 -0.500 0.000 0.818 447 A HN 0.495 nan 8.150 nan 0.000 0.445 448 G N -1.333 107.447 108.800 -0.033 0.000 3.337 448 G HA2 0.422 4.374 3.960 -0.013 0.000 0.246 448 G HA3 0.422 4.374 3.960 -0.013 0.000 0.246 448 G C 0.077 174.811 174.900 -0.277 0.000 1.131 448 G CA 0.498 45.448 45.100 -0.251 0.000 0.773 448 G HN 0.349 nan 8.290 nan 0.000 0.544 449 S N -0.160 115.434 115.700 -0.177 0.000 2.536 449 S HA 0.314 4.776 4.470 -0.013 0.000 0.298 449 S C 0.805 175.352 174.600 -0.089 0.000 1.083 449 S CA -0.706 57.414 58.200 -0.132 0.000 0.995 449 S CB 1.265 64.387 63.200 -0.130 0.000 1.058 449 S HN 0.505 nan 8.310 nan 0.000 0.488 450 H N 0.113 119.147 119.070 -0.060 0.000 2.548 450 H HA 0.436 4.984 4.556 -0.013 0.000 0.268 450 H C 0.181 175.501 175.328 -0.014 0.000 0.975 450 H CA 0.357 56.400 56.048 -0.008 0.000 1.195 450 H CB 0.122 29.894 29.762 0.017 0.000 1.397 450 H HN 0.506 nan 8.280 nan 0.000 0.572 451 A N 1.068 123.577 122.820 -0.519 0.000 2.455 451 A HA 0.564 4.877 4.320 -0.013 0.000 0.300 451 A C -1.344 176.036 177.584 -0.339 0.000 1.040 451 A CA -0.588 51.206 52.037 -0.405 0.000 0.697 451 A CB 2.287 21.017 19.000 -0.451 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.230 123.910 119.914 -0.389 0.000 2.577 452 V HA 0.521 4.633 4.120 -0.013 0.000 0.303 452 V C -0.779 175.120 176.094 -0.324 0.000 1.042 452 V CA -0.789 61.270 62.300 -0.401 0.000 0.872 452 V CB 1.784 33.206 31.823 -0.669 0.000 0.998 452 V HN 1.012 nan 8.190 nan 0.000 0.423 453 N N 3.192 121.723 118.700 -0.283 0.000 2.240 453 N HA 0.616 5.348 4.740 -0.013 0.000 0.302 453 N C -0.241 175.163 175.510 -0.176 0.000 1.106 453 N CA -0.361 52.567 53.050 -0.203 0.000 0.778 453 N CB 2.894 41.242 38.487 -0.232 0.000 1.431 453 N HN 0.631 nan 8.380 nan 0.000 0.479 454 G N -0.733 108.005 108.800 -0.104 0.000 2.535 454 G HA2 0.430 4.382 3.960 -0.013 0.000 0.303 454 G HA3 0.430 4.382 3.960 -0.013 0.000 0.303 454 G C 0.711 175.676 174.900 0.108 0.000 1.237 454 G CA -0.450 44.655 45.100 0.008 0.000 0.986 454 G HN 0.646 nan 8.290 nan 0.000 0.494 455 V N -3.934 116.156 119.914 0.293 0.000 3.380 455 V HA 0.705 4.818 4.120 -0.013 0.000 0.307 455 V C 0.512 176.685 176.094 0.131 0.000 1.434 455 V CA 0.382 62.764 62.300 0.137 0.000 1.075 455 V CB -0.676 31.178 31.823 0.052 0.000 0.954 455 V HN 1.360 nan 8.190 nan 0.000 0.444 456 A N -0.014 122.895 122.820 0.149 0.000 2.605 456 A HA 0.646 4.958 4.320 -0.013 0.000 0.294 456 A C 0.671 178.306 177.584 0.085 0.000 1.062 456 A CA -0.096 52.007 52.037 0.110 0.000 0.682 456 A CB 1.213 20.267 19.000 0.090 0.000 1.278 456 A HN 0.025 nan 8.150 nan 0.000 0.410 457 R N 0.747 121.276 120.500 0.049 0.000 2.096 457 R HA -0.152 4.180 4.340 -0.013 0.000 0.240 457 R C 1.623 177.922 176.300 -0.002 0.000 1.139 457 R CA 2.280 58.386 56.100 0.011 0.000 0.952 457 R CB -0.223 30.078 30.300 0.002 0.000 0.854 457 R HN 0.813 nan 8.270 nan 0.000 0.436 458 I N 0.233 120.811 120.570 0.013 0.000 2.315 458 I HA -0.279 3.883 4.170 -0.013 0.000 0.248 458 I C 2.311 178.438 176.117 0.016 0.000 1.117 458 I CA 1.706 63.006 61.300 -0.000 0.000 1.404 458 I CB -0.198 37.801 38.000 -0.003 0.000 1.071 458 I HN 0.339 nan 8.210 nan 0.000 0.419 459 H N 0.254 119.298 119.070 -0.045 0.000 2.326 459 H HA -0.112 4.436 4.556 -0.013 0.000 0.301 459 H C 2.271 177.568 175.328 -0.051 0.000 1.081 459 H CA 2.184 58.201 56.048 -0.051 0.000 1.334 459 H CB -0.265 29.472 29.762 -0.042 0.000 1.385 459 H HN 0.224 nan 8.280 nan 0.000 0.504 460 S N 0.466 116.049 115.700 -0.194 0.000 2.382 460 S HA -0.132 4.330 4.470 -0.013 0.000 0.228 460 S C 1.897 176.381 174.600 -0.195 0.000 1.027 460 S CA 1.232 59.299 58.200 -0.222 0.000 0.991 460 S CB -0.083 63.057 63.200 -0.100 0.000 0.823 460 S HN 0.486 nan 8.310 nan 0.000 0.469 461 E N 1.192 121.299 120.200 -0.155 0.000 2.072 461 E HA -0.018 4.324 4.350 -0.013 0.000 0.191 461 E C 2.038 178.527 176.600 -0.186 0.000 0.985 461 E CA 0.689 56.988 56.400 -0.169 0.000 0.801 461 E CB -0.401 29.230 29.700 -0.115 0.000 0.750 461 E HN 0.507 nan 8.360 nan 0.000 0.452 462 I N 1.036 121.511 120.570 -0.158 0.000 2.264 462 I HA -0.278 3.885 4.170 -0.013 0.000 0.248 462 I C 2.411 178.409 176.117 -0.199 0.000 1.111 462 I CA 0.781 61.992 61.300 -0.148 0.000 1.382 462 I CB -0.230 37.714 38.000 -0.093 0.000 1.060 462 I HN 0.062 nan 8.210 nan 0.000 0.418 463 L N 0.374 121.445 121.223 -0.254 0.000 2.046 463 L HA -0.237 4.095 4.340 -0.013 0.000 0.208 463 L C 2.492 179.259 176.870 -0.172 0.000 1.077 463 L CA 1.617 56.330 54.840 -0.211 0.000 0.747 463 L CB -0.590 41.410 42.059 -0.098 0.000 0.896 463 L HN 0.218 nan 8.230 nan 0.000 0.432 464 K N -0.154 120.064 120.400 -0.303 0.000 2.217 464 K HA -0.117 4.195 4.320 -0.013 0.000 0.202 464 K C 2.048 178.441 176.600 -0.346 0.000 1.051 464 K CA 0.899 56.857 56.287 -0.548 0.000 0.952 464 K CB 0.059 31.977 32.500 -0.971 0.000 0.736 464 K HN 0.242 nan 8.250 nan 0.000 0.453 465 K N -0.015 120.243 120.400 -0.236 0.000 2.262 465 K HA -0.028 4.285 4.320 -0.013 0.000 0.200 465 K C 1.877 178.421 176.600 -0.094 0.000 1.049 465 K CA 1.353 57.554 56.287 -0.142 0.000 0.979 465 K CB 0.485 32.910 32.500 -0.123 0.000 0.773 465 K HN 0.259 nan 8.250 nan 0.000 0.474 466 T N -1.595 112.894 114.554 -0.109 0.000 3.409 466 T HA 0.057 4.399 4.350 -0.013 0.000 0.188 466 T C 1.882 176.531 174.700 -0.085 0.000 0.929 466 T CA 0.033 62.081 62.100 -0.088 0.000 1.184 466 T CB -0.728 68.083 68.868 -0.095 0.000 1.570 466 T HN 0.106 nan 8.240 nan 0.000 0.367 467 I N -1.029 119.428 120.570 -0.189 0.000 2.394 467 I HA 0.268 4.430 4.170 -0.013 0.000 0.251 467 I C 1.391 177.433 176.117 -0.125 0.000 1.136 467 I CA 1.253 62.397 61.300 -0.262 0.000 1.425 467 I CB -0.555 37.142 38.000 -0.505 0.000 1.079 467 I HN 0.239 nan 8.210 nan 0.000 0.425 468 F N 0.879 120.905 119.950 0.127 0.000 2.735 468 F HA 0.344 4.864 4.527 -0.013 0.000 0.304 468 F C 1.989 177.887 175.800 0.164 0.000 1.119 468 F CA -0.639 57.514 58.000 0.255 0.000 1.280 468 F CB 0.164 39.327 39.000 0.272 0.000 0.994 468 F HN -0.094 nan 8.300 nan 0.000 0.520 469 K N 1.098 121.608 120.400 0.183 0.000 2.044 469 K HA -0.228 4.084 4.320 -0.013 0.000 0.210 469 K C 1.355 178.006 176.600 0.086 0.000 1.049 469 K CA 2.265 58.601 56.287 0.082 0.000 0.927 469 K CB -0.030 32.483 32.500 0.022 0.000 0.713 469 K HN 0.152 nan 8.250 nan 0.000 0.443 470 D N -0.180 120.247 120.400 0.045 0.000 2.123 470 D HA -0.164 4.469 4.640 -0.013 0.000 0.196 470 D C 1.803 178.005 176.300 -0.162 0.000 0.992 470 D CA 1.267 55.162 54.000 -0.176 0.000 0.833 470 D CB -0.271 40.326 40.800 -0.338 0.000 0.954 470 D HN 0.261 nan 8.370 nan 0.000 0.455 471 F N -0.237 119.783 119.950 0.117 0.000 2.206 471 F HA -0.127 4.392 4.527 -0.013 0.000 0.298 471 F C 2.339 178.270 175.800 0.219 0.000 1.090 471 F CA 0.449 58.597 58.000 0.247 0.000 1.323 471 F CB -0.668 38.557 39.000 0.375 0.000 1.028 471 F HN -0.041 nan 8.300 nan 0.000 0.492 472 Y N 1.439 121.688 120.300 -0.084 0.000 2.181 472 Y HA -0.209 4.333 4.550 -0.013 0.000 0.288 472 Y C 2.120 177.989 175.900 -0.053 0.000 1.146 472 Y CA 1.674 59.526 58.100 -0.415 0.000 1.164 472 Y CB -0.611 37.431 38.460 -0.698 0.000 0.982 472 Y HN 0.135 nan 8.280 nan 0.000 0.515 473 E N -0.400 119.739 120.200 -0.102 0.000 2.106 473 E HA -0.194 4.148 4.350 -0.013 0.000 0.192 473 E C 2.006 178.667 176.600 0.102 0.000 0.984 473 E CA 1.193 57.555 56.400 -0.064 0.000 0.806 473 E CB -0.262 29.451 29.700 0.022 0.000 0.750 473 E HN 0.441 nan 8.360 nan 0.000 0.458 474 L N 0.961 122.284 121.223 0.166 0.000 2.044 474 L HA -0.056 4.277 4.340 -0.013 0.000 0.205 474 L C 0.260 177.220 176.870 0.150 0.000 1.075 474 L CA 1.686 56.665 54.840 0.232 0.000 0.747 474 L CB 0.370 42.559 42.059 0.217 0.000 0.903 474 L HN -0.107 nan 8.230 nan 0.000 0.435 475 E N -0.141 120.147 120.200 0.147 0.000 3.132 475 E HA 0.185 4.527 4.350 -0.013 0.000 0.241 475 E C -2.001 174.568 176.600 -0.051 0.000 1.196 475 E CA -1.275 55.142 56.400 0.028 0.000 0.869 475 E CB 0.836 30.551 29.700 0.025 0.000 1.387 475 E HN 0.208 nan 8.360 nan 0.000 0.393 476 P HA -0.235 nan 4.420 nan 0.000 0.218 476 P C 1.216 178.615 177.300 0.165 0.000 1.149 476 P CA 1.327 64.335 63.100 -0.153 0.000 0.817 476 P CB -0.040 31.435 31.700 -0.375 0.000 0.785 477 H N 0.281 119.456 119.070 0.176 0.000 2.489 477 H HA 0.044 4.592 4.556 -0.013 0.000 0.293 477 H C 1.450 176.876 175.328 0.164 0.000 1.066 477 H CA 0.846 56.988 56.048 0.156 0.000 1.305 477 H CB -0.684 29.140 29.762 0.104 0.000 1.386 477 H HN 0.154 nan 8.280 nan 0.000 0.551 478 K N 0.257 120.540 120.400 -0.195 0.000 2.217 478 K HA 0.029 4.341 4.320 -0.013 0.000 0.202 478 K C -0.163 176.309 176.600 -0.213 0.000 1.051 478 K CA 0.301 56.469 56.287 -0.198 0.000 0.952 478 K CB 0.095 32.365 32.500 -0.383 0.000 0.736 478 K HN 0.118 nan 8.250 nan 0.000 0.453 479 F N 1.692 121.667 119.950 0.041 0.000 2.411 479 F HA 0.190 4.709 4.527 -0.013 0.000 0.355 479 F C 0.435 176.240 175.800 0.008 0.000 1.117 479 F CA -0.329 57.701 58.000 0.049 0.000 1.139 479 F CB 1.036 40.125 39.000 0.147 0.000 1.120 479 F HN -0.123 nan 8.300 nan 0.000 0.493 480 Q N 1.873 121.702 119.800 0.048 0.000 2.528 480 Q HA 0.343 4.676 4.340 -0.013 0.000 0.289 480 Q C -1.143 174.819 176.000 -0.064 0.000 1.091 480 Q CA -1.247 54.540 55.803 -0.028 0.000 0.797 480 Q CB 3.098 31.766 28.738 -0.118 0.000 1.466 480 Q HN 0.605 nan 8.270 nan 0.000 0.436 481 N N 0.824 119.471 118.700 -0.089 0.000 2.362 481 N HA 0.251 4.983 4.740 -0.013 0.000 0.298 481 N C -1.384 174.028 175.510 -0.163 0.000 1.048 481 N CA -0.377 52.615 53.050 -0.097 0.000 0.858 481 N CB 0.929 39.381 38.487 -0.058 0.000 1.218 481 N HN 0.277 nan 8.380 nan 0.000 0.488 482 K N 2.808 123.110 120.400 -0.164 0.000 2.675 482 K HA 0.189 4.501 4.320 -0.013 0.000 0.224 482 K C -0.908 175.695 176.600 0.004 0.000 1.003 482 K CA -0.496 55.667 56.287 -0.206 0.000 1.034 482 K CB 1.258 33.402 32.500 -0.594 0.000 1.218 482 K HN 0.534 nan 8.250 nan 0.000 0.507 483 T N 2.085 116.662 114.554 0.038 0.000 2.902 483 T HA 0.055 4.397 4.350 -0.013 0.000 0.301 483 T C 0.769 175.598 174.700 0.215 0.000 1.012 483 T CA 0.292 62.468 62.100 0.127 0.000 1.151 483 T CB 0.269 69.216 68.868 0.131 0.000 0.946 483 T HN 0.361 nan 8.240 nan 0.000 0.542 484 N N 0.666 119.515 118.700 0.249 0.000 2.307 484 N HA 0.372 5.104 4.740 -0.013 0.000 0.230 484 N C 0.469 176.172 175.510 0.322 0.000 1.297 484 N CA -0.107 53.124 53.050 0.302 0.000 0.884 484 N CB 0.381 38.982 38.487 0.189 0.000 1.115 484 N HN 0.760 nan 8.380 nan 0.000 0.436 485 G N -0.485 108.518 108.800 0.337 0.000 2.708 485 G HA2 0.623 4.576 3.960 -0.013 0.000 0.289 485 G HA3 0.623 4.576 3.960 -0.013 0.000 0.289 485 G C -1.326 173.714 174.900 0.232 0.000 1.416 485 G CA -0.739 44.542 45.100 0.301 0.000 0.829 485 G HN 0.601 nan 8.290 nan 0.000 0.480 486 I N -2.319 118.370 120.570 0.198 0.000 2.785 486 I HA 0.738 4.900 4.170 -0.013 0.000 0.302 486 I C -0.181 176.092 176.117 0.260 0.000 1.069 486 I CA -0.936 60.473 61.300 0.183 0.000 1.045 486 I CB 2.470 40.469 38.000 -0.002 0.000 1.236 486 I HN 0.474 nan 8.210 nan 0.000 0.429 487 T N 4.360 119.118 114.554 0.340 0.000 2.814 487 T HA 0.352 4.694 4.350 -0.013 0.000 0.297 487 T C -1.481 173.337 174.700 0.196 0.000 0.956 487 T CA -1.536 60.692 62.100 0.213 0.000 1.123 487 T CB 0.719 69.660 68.868 0.121 0.000 0.902 487 T HN 0.632 nan 8.240 nan 0.000 0.528 488 P HA 0.091 nan 4.420 nan 0.000 0.241 488 P C 1.035 178.306 177.300 -0.047 0.000 1.191 488 P CA 0.221 63.361 63.100 0.067 0.000 0.771 488 P CB 0.348 32.076 31.700 0.046 0.000 0.929 489 R N 0.421 120.848 120.500 -0.121 0.000 2.056 489 R HA 0.030 4.363 4.340 -0.013 0.000 0.227 489 R C 2.658 178.841 176.300 -0.194 0.000 1.149 489 R CA 1.473 57.460 56.100 -0.189 0.000 0.937 489 R CB -1.172 29.019 30.300 -0.183 0.000 0.835 489 R HN 0.021 nan 8.270 nan 0.000 0.430 490 R N -0.774 119.552 120.500 -0.290 0.000 2.081 490 R HA -0.137 4.196 4.340 -0.013 0.000 0.235 490 R C 1.038 176.995 176.300 -0.572 0.000 1.131 490 R CA 1.790 57.556 56.100 -0.558 0.000 0.960 490 R CB -0.172 29.582 30.300 -0.910 0.000 0.856 490 R HN 0.305 nan 8.270 nan 0.000 0.436 491 W N -0.541 120.715 121.300 -0.074 0.000 3.353 491 W HA 0.176 4.828 4.660 -0.014 0.000 0.304 491 W C 0.941 177.429 176.519 -0.053 0.000 1.273 491 W CA -0.718 56.582 57.345 -0.076 0.000 1.773 491 W CB 0.460 29.878 29.460 -0.070 0.000 1.095 491 W HN 0.217 nan 8.180 nan 0.000 0.676 492 L N -2.186 119.094 121.223 0.095 0.000 2.511 492 L HA 0.194 4.527 4.340 -0.013 0.000 0.173 492 L C 1.771 178.658 176.870 0.028 0.000 1.160 492 L CA 0.793 55.682 54.840 0.082 0.000 0.964 492 L CB -0.817 41.317 42.059 0.126 0.000 1.892 492 L HN -0.247 nan 8.230 nan 0.000 0.497 493 V N 0.989 120.897 119.914 -0.011 0.000 2.295 493 V HA -0.264 3.849 4.120 -0.013 0.000 0.246 493 V C 2.430 178.497 176.094 -0.045 0.000 1.049 493 V CA 2.437 64.722 62.300 -0.026 0.000 1.024 493 V CB -0.635 31.145 31.823 -0.073 0.000 0.648 493 V HN 0.499 nan 8.190 nan 0.000 0.447 494 L N 0.466 121.632 121.223 -0.095 0.000 2.023 494 L HA -0.185 4.147 4.340 -0.013 0.000 0.205 494 L C 2.503 179.309 176.870 -0.107 0.000 1.073 494 L CA 2.410 57.177 54.840 -0.121 0.000 0.745 494 L CB -0.264 41.672 42.059 -0.205 0.000 0.900 494 L HN 0.654 nan 8.230 nan 0.000 0.435 495 C N -1.800 117.430 119.300 -0.115 0.000 2.533 495 C HA 0.196 4.648 4.460 -0.013 0.000 0.272 495 C C 1.192 176.164 174.990 -0.029 0.000 1.371 495 C CA -0.290 58.677 59.018 -0.084 0.000 1.758 495 C CB -0.974 26.714 27.740 -0.085 0.000 1.972 495 C HN 0.586 nan 8.230 nan 0.000 0.522 496 N N 1.241 119.935 118.700 -0.010 0.000 2.733 496 N HA 0.298 5.030 4.740 -0.013 0.000 0.271 496 N C -1.807 173.714 175.510 0.018 0.000 1.720 496 N CA -1.630 51.426 53.050 0.010 0.000 0.803 496 N CB 0.853 39.355 38.487 0.024 0.000 1.208 496 N HN 0.248 nan 8.380 nan 0.000 0.498 497 P HA -0.028 nan 4.420 nan 0.000 0.217 497 P C 1.407 178.722 177.300 0.025 0.000 1.150 497 P CA 0.864 63.974 63.100 0.017 0.000 0.832 497 P CB 0.256 31.959 31.700 0.005 0.000 0.787 498 G N 0.772 109.582 108.800 0.016 0.000 2.446 498 G HA2 -0.260 3.693 3.960 -0.013 0.000 0.217 498 G HA3 -0.260 3.693 3.960 -0.013 0.000 0.217 498 G C 1.532 176.440 174.900 0.013 0.000 1.168 498 G CA 0.778 45.884 45.100 0.011 0.000 0.771 498 G HN 0.253 nan 8.290 nan 0.000 0.551 499 L N 1.255 122.487 121.223 0.015 0.000 2.056 499 L HA 0.256 4.588 4.340 -0.013 0.000 0.207 499 L C 3.080 179.980 176.870 0.050 0.000 1.078 499 L CA 1.987 56.835 54.840 0.015 0.000 0.749 499 L CB -0.734 41.333 42.059 0.013 0.000 0.901 499 L HN 0.236 nan 8.230 nan 0.000 0.433 500 A N -0.718 122.153 122.820 0.085 0.000 1.908 500 A HA -0.270 4.042 4.320 -0.013 0.000 0.218 500 A C 2.259 179.942 177.584 0.166 0.000 1.181 500 A CA 1.904 54.044 52.037 0.171 0.000 0.627 500 A CB -0.680 18.412 19.000 0.153 0.000 0.818 500 A HN 0.545 nan 8.150 nan 0.000 0.445 501 E N 0.534 120.791 120.200 0.096 0.000 2.046 501 E HA -0.142 4.201 4.350 -0.013 0.000 0.190 501 E C 1.839 178.480 176.600 0.067 0.000 0.982 501 E CA 1.478 57.924 56.400 0.077 0.000 0.800 501 E CB -0.507 29.220 29.700 0.045 0.000 0.756 501 E HN 0.743 nan 8.360 nan 0.000 0.449 502 I N -1.723 118.880 120.570 0.055 0.000 2.493 502 I HA -0.129 4.033 4.170 -0.013 0.000 0.254 502 I C 2.069 178.256 176.117 0.116 0.000 1.160 502 I CA 1.086 62.429 61.300 0.072 0.000 1.445 502 I CB -0.305 37.715 38.000 0.034 0.000 1.086 502 I HN 0.022 nan 8.210 nan 0.000 0.433 503 I N 1.921 122.535 120.570 0.072 0.000 2.233 503 I HA -0.164 3.999 4.170 -0.013 0.000 0.243 503 I C 2.991 179.062 176.117 -0.077 0.000 1.093 503 I CA 1.286 62.552 61.300 -0.058 0.000 1.380 503 I CB -0.482 37.356 38.000 -0.271 0.000 1.067 503 I HN 0.291 nan 8.210 nan 0.000 0.413 504 A N 0.371 123.244 122.820 0.089 0.000 1.972 504 A HA -0.220 4.092 4.320 -0.013 0.000 0.219 504 A C 2.159 179.778 177.584 0.058 0.000 1.169 504 A CA 1.549 53.688 52.037 0.170 0.000 0.635 504 A CB -0.585 18.545 19.000 0.216 0.000 0.810 504 A HN 0.444 nan 8.150 nan 0.000 0.446 505 E N -0.622 119.592 120.200 0.023 0.000 2.160 505 E HA -0.202 4.140 4.350 -0.013 0.000 0.195 505 E C 2.219 178.788 176.600 -0.052 0.000 0.991 505 E CA 1.181 57.579 56.400 -0.002 0.000 0.810 505 E CB -0.060 29.644 29.700 0.007 0.000 0.742 505 E HN 0.516 nan 8.360 nan 0.000 0.466 506 R N 0.099 120.510 120.500 -0.148 0.000 2.105 506 R HA 0.085 4.417 4.340 -0.013 0.000 0.214 506 R C 2.336 178.551 176.300 -0.141 0.000 1.091 506 R CA 0.847 56.783 56.100 -0.273 0.000 1.007 506 R CB -0.184 29.620 30.300 -0.827 0.000 0.912 506 R HN 0.308 nan 8.270 nan 0.000 0.450 507 I N -2.832 117.669 120.570 -0.114 0.000 4.154 507 I HA 0.433 4.595 4.170 -0.013 0.000 0.334 507 I C 0.435 176.591 176.117 0.065 0.000 1.371 507 I CA 0.078 61.366 61.300 -0.021 0.000 1.110 507 I CB 0.860 38.827 38.000 -0.055 0.000 1.085 507 I HN 0.181 nan 8.210 nan 0.000 0.398 508 G N 2.031 110.881 108.800 0.083 0.000 2.698 508 G HA2 -0.218 3.735 3.960 -0.013 0.000 0.225 508 G HA3 -0.218 3.735 3.960 -0.013 0.000 0.225 508 G C -0.056 174.968 174.900 0.207 0.000 1.345 508 G CA 0.172 45.340 45.100 0.114 0.000 0.871 508 G HN 0.428 nan 8.290 nan 0.000 0.540 509 E N -0.364 119.904 120.200 0.114 0.000 2.472 509 E HA 0.076 4.419 4.350 -0.013 0.000 0.196 509 E C 1.941 178.474 176.600 -0.112 0.000 1.033 509 E CA 0.041 56.445 56.400 0.007 0.000 0.886 509 E CB 0.205 29.907 29.700 0.004 0.000 0.944 509 E HN 0.485 nan 8.360 nan 0.000 0.492 510 E N 0.510 120.720 120.200 0.017 0.000 2.209 510 E HA -0.195 4.147 4.350 -0.013 0.000 0.196 510 E C 1.768 178.352 176.600 -0.026 0.000 0.993 510 E CA 0.950 57.355 56.400 0.008 0.000 0.819 510 E CB -0.062 29.670 29.700 0.053 0.000 0.745 510 E HN 0.528 nan 8.360 nan 0.000 0.477 511 Y N -0.836 119.466 120.300 0.003 0.000 2.403 511 Y HA -0.071 4.472 4.550 -0.012 0.000 0.291 511 Y C 1.971 177.845 175.900 -0.043 0.000 1.143 511 Y CA 0.604 58.697 58.100 -0.012 0.000 1.257 511 Y CB -0.787 37.668 38.460 -0.007 0.000 0.984 511 Y HN -0.087 nan 8.280 nan 0.000 0.550 512 I N 0.977 121.071 120.570 -0.792 0.000 2.335 512 I HA -0.249 3.914 4.170 -0.013 0.000 0.251 512 I C 1.838 177.692 176.117 -0.437 0.000 1.129 512 I CA 1.871 62.749 61.300 -0.703 0.000 1.402 512 I CB -0.401 37.088 38.000 -0.852 0.000 1.069 512 I HN 0.479 nan 8.210 nan 0.000 0.424 513 S N -2.049 113.497 115.700 -0.255 0.000 2.593 513 S HA 0.160 4.622 4.470 -0.013 0.000 0.236 513 S C 0.186 174.767 174.600 -0.032 0.000 0.991 513 S CA -0.456 57.676 58.200 -0.112 0.000 0.963 513 S CB 0.277 63.483 63.200 0.010 0.000 0.865 513 S HN 0.297 nan 8.310 nan 0.000 0.488 514 D N 0.670 121.060 120.400 -0.017 0.000 2.823 514 D HA 0.256 4.888 4.640 -0.013 0.000 0.255 514 D C 0.352 176.692 176.300 0.066 0.000 1.257 514 D CA -0.399 53.616 54.000 0.025 0.000 0.803 514 D CB 0.426 41.246 40.800 0.032 0.000 1.384 514 D HN 0.083 nan 8.370 nan 0.000 0.541 515 L N 1.264 122.526 121.223 0.066 0.000 2.265 515 L HA -0.012 4.320 4.340 -0.013 0.000 0.215 515 L C 1.426 178.347 176.870 0.084 0.000 1.117 515 L CA 1.528 56.436 54.840 0.114 0.000 0.782 515 L CB -0.093 42.027 42.059 0.101 0.000 0.914 515 L HN 0.285 nan 8.230 nan 0.000 0.441 516 D N -0.706 119.720 120.400 0.044 0.000 2.221 516 D HA -0.225 4.407 4.640 -0.013 0.000 0.204 516 D C 1.929 178.248 176.300 0.032 0.000 0.982 516 D CA 0.867 54.879 54.000 0.020 0.000 0.857 516 D CB 0.036 40.836 40.800 -0.001 0.000 0.934 516 D HN 0.552 nan 8.370 nan 0.000 0.475 517 Q N -0.031 119.806 119.800 0.061 0.000 2.364 517 Q HA -0.066 4.266 4.340 -0.013 0.000 0.209 517 Q C 2.291 178.309 176.000 0.030 0.000 0.977 517 Q CA 0.282 56.123 55.803 0.063 0.000 0.885 517 Q CB -0.009 28.797 28.738 0.113 0.000 0.941 517 Q HN 0.401 nan 8.270 nan 0.000 0.464 518 L N 0.165 121.399 121.223 0.017 0.000 2.265 518 L HA -0.188 4.144 4.340 -0.013 0.000 0.215 518 L C 2.290 179.149 176.870 -0.018 0.000 1.117 518 L CA 0.836 55.648 54.840 -0.045 0.000 0.782 518 L CB -0.370 41.672 42.059 -0.029 0.000 0.914 518 L HN 0.220 nan 8.230 nan 0.000 0.441 519 R N 0.408 120.909 120.500 0.003 0.000 2.127 519 R HA -0.189 4.144 4.340 -0.013 0.000 0.238 519 R C 2.081 178.385 176.300 0.006 0.000 1.134 519 R CA 1.140 57.243 56.100 0.006 0.000 0.975 519 R CB -0.246 30.055 30.300 0.002 0.000 0.865 519 R HN 0.402 nan 8.270 nan 0.000 0.447 520 K N 0.622 121.026 120.400 0.006 0.000 2.360 520 K HA -0.111 4.201 4.320 -0.013 0.000 0.201 520 K C 1.859 178.499 176.600 0.067 0.000 1.046 520 K CA 0.853 57.154 56.287 0.024 0.000 0.940 520 K CB -0.091 32.429 32.500 0.033 0.000 0.748 520 K HN 0.230 nan 8.250 nan 0.000 0.465 521 L N 0.393 121.630 121.223 0.024 0.000 2.376 521 L HA -0.128 4.204 4.340 -0.013 0.000 0.219 521 L C 1.834 178.753 176.870 0.081 0.000 1.133 521 L CA 0.032 54.887 54.840 0.025 0.000 0.816 521 L CB -0.235 41.791 42.059 -0.055 0.000 0.933 521 L HN 0.114 nan 8.230 nan 0.000 0.449 522 L N 0.140 121.389 121.223 0.043 0.000 2.127 522 L HA -0.185 4.147 4.340 -0.013 0.000 0.211 522 L C 2.733 179.592 176.870 -0.018 0.000 1.089 522 L CA 1.952 56.806 54.840 0.024 0.000 0.757 522 L CB -0.923 41.139 42.059 0.005 0.000 0.899 522 L HN 0.369 nan 8.230 nan 0.000 0.434 523 S N -2.615 113.034 115.700 -0.085 0.000 2.607 523 S HA -0.094 4.368 4.470 -0.013 0.000 0.224 523 S C 1.279 175.625 174.600 -0.422 0.000 0.969 523 S CA 0.310 58.360 58.200 -0.250 0.000 0.927 523 S CB -0.522 62.478 63.200 -0.333 0.000 0.772 523 S HN 0.477 nan 8.310 nan 0.000 0.533 524 Y N -0.340 119.885 120.300 -0.126 0.000 2.531 524 Y HA 0.439 4.987 4.550 -0.003 0.000 0.249 524 Y C 1.930 177.858 175.900 0.046 0.000 1.168 524 Y CA -0.500 57.521 58.100 -0.131 0.000 1.226 524 Y CB 0.211 38.375 38.460 -0.494 0.000 1.177 524 Y HN 0.253 nan 8.280 nan 0.000 0.527 525 V N 0.397 120.396 119.914 0.142 0.000 2.594 525 V HA -0.210 3.902 4.120 -0.013 0.000 0.253 525 V C 1.014 177.177 176.094 0.115 0.000 1.069 525 V CA 2.205 64.592 62.300 0.146 0.000 1.082 525 V CB -0.007 31.864 31.823 0.080 0.000 0.680 525 V HN 0.351 nan 8.190 nan 0.000 0.469 526 D N -0.684 119.761 120.400 0.077 0.000 2.363 526 D HA 0.099 4.731 4.640 -0.013 0.000 0.214 526 D C 0.454 176.800 176.300 0.078 0.000 1.093 526 D CA 0.027 54.061 54.000 0.058 0.000 0.837 526 D CB 0.088 40.899 40.800 0.018 0.000 0.948 526 D HN 0.456 nan 8.370 nan 0.000 0.507 527 D N 1.459 121.941 120.400 0.137 0.000 2.336 527 D HA -0.025 4.607 4.640 -0.013 0.000 0.249 527 D C 1.088 177.495 176.300 0.180 0.000 1.213 527 D CA 0.000 54.104 54.000 0.173 0.000 0.870 527 D CB 1.616 42.593 40.800 0.296 0.000 1.076 527 D HN -0.174 nan 8.370 nan 0.000 0.483 528 E N 3.190 123.460 120.200 0.116 0.000 2.110 528 E HA -0.139 4.203 4.350 -0.013 0.000 0.193 528 E C 1.773 178.427 176.600 0.090 0.000 0.988 528 E CA 1.357 57.808 56.400 0.085 0.000 0.804 528 E CB 0.010 29.743 29.700 0.055 0.000 0.745 528 E HN 0.598 nan 8.360 nan 0.000 0.458 529 A N -0.288 122.601 122.820 0.116 0.000 1.873 529 A HA -0.144 4.169 4.320 -0.013 0.000 0.215 529 A C 2.199 179.865 177.584 0.137 0.000 1.186 529 A CA 1.326 53.428 52.037 0.109 0.000 0.616 529 A CB -0.924 18.144 19.000 0.114 0.000 0.823 529 A HN 0.443 nan 8.150 nan 0.000 0.442 530 F N 0.385 120.356 119.950 0.035 0.000 2.113 530 F HA -0.133 4.387 4.527 -0.012 0.000 0.297 530 F C 2.035 177.842 175.800 0.013 0.000 1.103 530 F CA 1.621 59.626 58.000 0.009 0.000 1.248 530 F CB -0.132 38.884 39.000 0.027 0.000 0.999 530 F HN 0.164 nan 8.300 nan 0.000 0.475 531 I N 0.346 120.940 120.570 0.040 0.000 2.151 531 I HA -0.386 3.776 4.170 -0.013 0.000 0.243 531 I C 2.619 178.676 176.117 -0.100 0.000 1.080 531 I CA 1.895 63.166 61.300 -0.048 0.000 1.339 531 I CB -0.556 37.466 38.000 0.037 0.000 1.039 531 I HN 0.114 nan 8.210 nan 0.000 0.409 532 R N 0.849 121.317 120.500 -0.053 0.000 2.081 532 R HA -0.203 4.129 4.340 -0.013 0.000 0.235 532 R C 1.871 178.116 176.300 -0.093 0.000 1.131 532 R CA 2.047 58.115 56.100 -0.054 0.000 0.960 532 R CB -0.177 30.111 30.300 -0.020 0.000 0.856 532 R HN 0.297 nan 8.270 nan 0.000 0.436 533 D N -0.192 120.130 120.400 -0.129 0.000 2.097 533 D HA -0.116 4.516 4.640 -0.013 0.000 0.197 533 D C 1.981 178.145 176.300 -0.227 0.000 0.984 533 D CA 1.276 55.184 54.000 -0.154 0.000 0.826 533 D CB -0.225 40.495 40.800 -0.133 0.000 0.973 533 D HN 0.084 nan 8.370 nan 0.000 0.460 534 V N 1.525 121.204 119.914 -0.393 0.000 2.287 534 V HA -0.276 3.836 4.120 -0.013 0.000 0.248 534 V C 2.529 178.526 176.094 -0.162 0.000 1.053 534 V CA 2.014 64.105 62.300 -0.349 0.000 1.027 534 V CB -0.876 30.665 31.823 -0.470 0.000 0.646 534 V HN 0.201 nan 8.190 nan 0.000 0.447 535 A N -0.592 122.154 122.820 -0.124 0.000 1.933 535 A HA -0.252 4.061 4.320 -0.013 0.000 0.218 535 A C 2.366 179.911 177.584 -0.064 0.000 1.175 535 A CA 2.100 54.098 52.037 -0.064 0.000 0.628 535 A CB -0.470 18.497 19.000 -0.055 0.000 0.814 535 A HN 0.535 nan 8.150 nan 0.000 0.444 536 K N -0.192 120.164 120.400 -0.073 0.000 2.057 536 K HA -0.073 4.239 4.320 -0.013 0.000 0.206 536 K C 1.828 178.400 176.600 -0.048 0.000 1.050 536 K CA 1.514 57.768 56.287 -0.056 0.000 0.935 536 K CB -0.255 32.214 32.500 -0.051 0.000 0.715 536 K HN 0.230 nan 8.250 nan 0.000 0.439 537 V N 1.846 121.726 119.914 -0.058 0.000 2.332 537 V HA -0.251 3.861 4.120 -0.013 0.000 0.248 537 V C 2.402 178.480 176.094 -0.027 0.000 1.055 537 V CA 2.008 64.284 62.300 -0.040 0.000 1.038 537 V CB -0.479 31.314 31.823 -0.051 0.000 0.651 537 V HN 0.350 nan 8.190 nan 0.000 0.450 538 K N 0.395 120.777 120.400 -0.030 0.000 2.026 538 K HA -0.232 4.081 4.320 -0.013 0.000 0.208 538 K C 2.183 178.755 176.600 -0.047 0.000 1.048 538 K CA 1.820 58.095 56.287 -0.020 0.000 0.929 538 K CB -0.555 31.950 32.500 0.008 0.000 0.713 538 K HN 0.370 nan 8.250 nan 0.000 0.439 539 Q N 1.037 120.803 119.800 -0.056 0.000 2.061 539 Q HA -0.146 4.186 4.340 -0.013 0.000 0.204 539 Q C 1.746 177.723 176.000 -0.038 0.000 0.984 539 Q CA 2.139 57.900 55.803 -0.069 0.000 0.846 539 Q CB -0.152 28.551 28.738 -0.059 0.000 0.902 539 Q HN 0.510 nan 8.270 nan 0.000 0.421 540 E N -0.492 119.698 120.200 -0.017 0.000 2.085 540 E HA -0.190 4.152 4.350 -0.013 0.000 0.194 540 E C 1.790 178.411 176.600 0.034 0.000 0.994 540 E CA 1.103 57.508 56.400 0.009 0.000 0.801 540 E CB -0.139 29.564 29.700 0.006 0.000 0.743 540 E HN 0.406 nan 8.360 nan 0.000 0.453 541 N N 0.974 119.690 118.700 0.027 0.000 2.120 541 N HA -0.134 4.598 4.740 -0.013 0.000 0.188 541 N C 1.547 177.127 175.510 0.116 0.000 1.024 541 N CA 1.067 54.154 53.050 0.061 0.000 0.852 541 N CB -0.124 38.384 38.487 0.034 0.000 1.003 541 N HN 0.136 nan 8.380 nan 0.000 0.424 542 K N 0.533 120.955 120.400 0.037 0.000 2.097 542 K HA 0.001 4.313 4.320 -0.013 0.000 0.206 542 K C 2.098 178.807 176.600 0.183 0.000 1.049 542 K CA 0.681 56.983 56.287 0.025 0.000 0.933 542 K CB -0.147 32.094 32.500 -0.432 0.000 0.717 542 K HN 0.111 nan 8.250 nan 0.000 0.442 543 L N 1.117 122.402 121.223 0.103 0.000 2.027 543 L HA -0.175 4.157 4.340 -0.013 0.000 0.206 543 L C 2.593 179.561 176.870 0.164 0.000 1.074 543 L CA 1.264 56.178 54.840 0.122 0.000 0.745 543 L CB -0.331 41.768 42.059 0.068 0.000 0.898 543 L HN 0.138 nan 8.230 nan 0.000 0.433 544 K N -0.217 120.281 120.400 0.164 0.000 2.063 544 K HA -0.250 4.062 4.320 -0.013 0.000 0.208 544 K C 2.172 178.933 176.600 0.267 0.000 1.048 544 K CA 1.748 58.144 56.287 0.181 0.000 0.928 544 K CB -0.161 32.429 32.500 0.150 0.000 0.713 544 K HN 0.109 nan 8.250 nan 0.000 0.442 545 F N 0.866 120.923 119.950 0.178 0.000 2.234 545 F HA 0.043 4.563 4.527 -0.013 0.000 0.296 545 F C 1.970 177.937 175.800 0.279 0.000 1.089 545 F CA 1.005 59.143 58.000 0.229 0.000 1.343 545 F CB -0.280 38.859 39.000 0.230 0.000 1.040 545 F HN 0.069 nan 8.300 nan 0.000 0.498 546 A N 0.151 123.152 122.820 0.301 0.000 1.972 546 A HA -0.042 4.270 4.320 -0.013 0.000 0.219 546 A C 2.363 179.998 177.584 0.086 0.000 1.169 546 A CA 1.637 53.785 52.037 0.185 0.000 0.635 546 A CB -1.368 17.799 19.000 0.278 0.000 0.810 546 A HN 0.430 nan 8.150 nan 0.000 0.446 547 A N -1.571 121.315 122.820 0.110 0.000 1.897 547 A HA -0.020 4.293 4.320 -0.013 0.000 0.215 547 A C 2.094 179.711 177.584 0.054 0.000 1.181 547 A CA 1.401 53.488 52.037 0.082 0.000 0.620 547 A CB -0.786 18.272 19.000 0.097 0.000 0.821 547 A HN 0.712 nan 8.150 nan 0.000 0.443 548 Y N 0.707 120.968 120.300 -0.065 0.000 2.128 548 Y HA -0.215 4.327 4.550 -0.013 0.000 0.284 548 Y C 1.929 177.757 175.900 -0.120 0.000 1.154 548 Y CA 1.992 60.034 58.100 -0.096 0.000 1.149 548 Y CB -0.267 38.124 38.460 -0.115 0.000 0.976 548 Y HN 0.217 nan 8.280 nan 0.000 0.505 549 L N 0.053 121.168 121.223 -0.179 0.000 2.046 549 L HA -0.223 4.110 4.340 -0.013 0.000 0.208 549 L C 2.414 179.217 176.870 -0.112 0.000 1.077 549 L CA 1.782 56.522 54.840 -0.167 0.000 0.747 549 L CB -0.541 41.389 42.059 -0.215 0.000 0.896 549 L HN 0.328 nan 8.230 nan 0.000 0.432 550 E N -0.291 119.866 120.200 -0.071 0.000 2.072 550 E HA -0.181 4.161 4.350 -0.013 0.000 0.191 550 E C 2.372 178.931 176.600 -0.068 0.000 0.985 550 E CA 0.853 57.244 56.400 -0.015 0.000 0.801 550 E CB 0.053 29.804 29.700 0.085 0.000 0.750 550 E HN 0.428 nan 8.360 nan 0.000 0.452 551 R N 0.505 120.929 120.500 -0.125 0.000 2.062 551 R HA -0.090 4.242 4.340 -0.013 0.000 0.229 551 R C 1.931 178.070 176.300 -0.269 0.000 1.128 551 R CA 1.099 57.106 56.100 -0.155 0.000 0.960 551 R CB 0.013 30.236 30.300 -0.129 0.000 0.855 551 R HN -0.024 nan 8.270 nan 0.000 0.432 552 E N -1.373 118.538 120.200 -0.483 0.000 2.400 552 E HA -0.001 4.341 4.350 -0.013 0.000 0.195 552 E C 0.128 176.188 176.600 -0.899 0.000 1.012 552 E CA 0.695 56.650 56.400 -0.743 0.000 0.875 552 E CB 0.509 29.539 29.700 -1.117 0.000 0.859 552 E HN 0.331 nan 8.360 nan 0.000 0.498 553 Y N -0.658 119.495 120.300 -0.246 0.000 2.610 553 Y HA 0.248 4.790 4.550 -0.013 0.000 0.254 553 Y C 0.049 175.860 175.900 -0.148 0.000 1.110 553 Y CA -0.588 57.414 58.100 -0.162 0.000 1.238 553 Y CB 0.845 39.215 38.460 -0.150 0.000 1.322 553 Y HN -0.262 nan 8.280 nan 0.000 0.547 554 K N 0.165 120.529 120.400 -0.060 0.000 3.020 554 K HA -0.149 4.163 4.320 -0.013 0.000 0.266 554 K C -0.306 176.124 176.600 -0.283 0.000 1.067 554 K CA 0.908 57.136 56.287 -0.099 0.000 0.780 554 K CB -2.441 30.028 32.500 -0.052 0.000 1.220 554 K HN 0.287 nan 8.250 nan 0.000 0.483 555 V N -1.939 117.823 119.914 -0.252 0.000 2.483 555 V HA 0.548 4.660 4.120 -0.013 0.000 0.295 555 V C 0.263 176.167 176.094 -0.316 0.000 1.035 555 V CA -0.888 61.196 62.300 -0.360 0.000 0.896 555 V CB 1.479 33.201 31.823 -0.167 0.000 0.986 555 V HN 0.282 nan 8.190 nan 0.000 0.447 556 H N 5.088 124.148 119.070 -0.017 0.000 2.459 556 H HA 0.809 5.357 4.556 -0.013 0.000 0.332 556 H C -0.038 175.280 175.328 -0.016 0.000 1.094 556 H CA -0.506 55.536 56.048 -0.011 0.000 1.224 556 H CB 1.737 31.499 29.762 -0.001 0.000 1.449 556 H HN 0.931 nan 8.280 nan 0.000 0.484 557 I N -0.563 120.075 120.570 0.114 0.000 2.934 557 I HA 0.461 4.623 4.170 -0.013 0.000 0.306 557 I C -0.584 175.610 176.117 0.128 0.000 1.110 557 I CA -1.379 59.967 61.300 0.077 0.000 1.019 557 I CB 2.244 40.250 38.000 0.009 0.000 1.227 557 I HN 0.368 nan 8.210 nan 0.000 0.434 558 N N 4.135 122.913 118.700 0.130 0.000 2.415 558 N HA 0.404 5.136 4.740 -0.013 0.000 0.246 558 N C -2.059 173.601 175.510 0.249 0.000 1.078 558 N CA -2.406 50.732 53.050 0.146 0.000 0.942 558 N CB 0.985 39.530 38.487 0.096 0.000 1.140 558 N HN 0.371 nan 8.380 nan 0.000 0.501 559 P HA 0.064 nan 4.420 nan 0.000 0.237 559 P C -0.161 177.146 177.300 0.010 0.000 1.178 559 P CA 0.865 64.071 63.100 0.177 0.000 0.766 559 P CB 0.211 31.981 31.700 0.117 0.000 0.876 560 N N -1.207 117.528 118.700 0.059 0.000 2.353 560 N HA -0.006 4.727 4.740 -0.013 0.000 0.185 560 N C 0.428 175.981 175.510 0.072 0.000 1.098 560 N CA -0.046 53.024 53.050 0.034 0.000 0.872 560 N CB 0.001 38.513 38.487 0.042 0.000 0.970 560 N HN 0.124 nan 8.380 nan 0.000 0.467 561 S N 0.238 116.000 115.700 0.104 0.000 2.614 561 S HA 0.166 4.628 4.470 -0.013 0.000 0.265 561 S C 0.099 174.693 174.600 -0.009 0.000 1.303 561 S CA -0.901 57.342 58.200 0.071 0.000 1.000 561 S CB 0.952 64.215 63.200 0.105 0.000 0.935 561 S HN 0.196 nan 8.310 nan 0.000 0.551 562 L N 2.142 123.181 121.223 -0.307 0.000 2.418 562 L HA 0.337 4.669 4.340 -0.013 0.000 0.274 562 L C -0.823 176.034 176.870 -0.022 0.000 1.135 562 L CA -0.478 53.995 54.840 -0.612 0.000 0.870 562 L CB -0.235 41.184 42.059 -1.067 0.000 1.154 562 L HN 0.708 nan 8.230 nan 0.000 0.462 563 F N 4.291 124.111 119.950 -0.216 0.000 2.439 563 F HA 0.088 4.608 4.527 -0.012 0.000 0.356 563 F C 0.458 176.193 175.800 -0.108 0.000 1.161 563 F CA -0.774 57.167 58.000 -0.098 0.000 1.151 563 F CB 0.479 39.470 39.000 -0.015 0.000 1.222 563 F HN 0.521 nan 8.300 nan 0.000 0.558 564 D N 4.911 125.307 120.400 -0.006 0.000 2.412 564 D HA 0.223 4.855 4.640 -0.013 0.000 0.224 564 D C -1.066 175.172 176.300 -0.103 0.000 1.093 564 D CA -0.085 53.869 54.000 -0.077 0.000 0.850 564 D CB 1.403 42.141 40.800 -0.102 0.000 1.046 564 D HN 0.261 nan 8.370 nan 0.000 0.507 565 V N 3.299 123.135 119.914 -0.131 0.000 2.604 565 V HA 0.551 4.663 4.120 -0.013 0.000 0.305 565 V C -1.354 174.588 176.094 -0.253 0.000 1.043 565 V CA -0.639 61.568 62.300 -0.156 0.000 0.888 565 V CB 1.821 33.611 31.823 -0.056 0.000 0.995 565 V HN 0.540 nan 8.190 nan 0.000 0.429 566 Q N 4.813 124.484 119.800 -0.215 0.000 2.394 566 Q HA 0.649 4.982 4.340 -0.013 0.000 0.261 566 Q C -1.454 174.385 176.000 -0.268 0.000 1.023 566 Q CA -0.626 55.039 55.803 -0.231 0.000 0.720 566 Q CB 1.832 30.462 28.738 -0.180 0.000 1.241 566 Q HN 1.072 nan 8.270 nan 0.000 0.483 567 V N 1.736 121.475 119.914 -0.292 0.000 2.487 567 V HA 0.874 4.986 4.120 -0.013 0.000 0.298 567 V C -0.911 174.901 176.094 -0.471 0.000 1.028 567 V CA -0.561 61.373 62.300 -0.609 0.000 0.860 567 V CB 1.290 32.510 31.823 -1.004 0.000 0.991 567 V HN 0.819 nan 8.190 nan 0.000 0.427 568 K N 2.476 122.643 120.400 -0.389 0.000 3.076 568 K HA 0.347 4.659 4.320 -0.013 0.000 0.314 568 K C -1.314 175.304 176.600 0.030 0.000 1.113 568 K CA -1.129 55.131 56.287 -0.046 0.000 0.860 568 K CB 0.824 33.293 32.500 -0.051 0.000 1.435 568 K HN 0.494 nan 8.250 nan 0.000 0.374 569 R N 1.046 121.635 120.500 0.149 0.000 2.640 569 R HA 0.135 4.467 4.340 -0.013 0.000 0.270 569 R C 0.407 176.746 176.300 0.065 0.000 1.024 569 R CA -0.294 55.901 56.100 0.158 0.000 1.085 569 R CB -0.163 30.313 30.300 0.293 0.000 0.963 569 R HN 0.460 nan 8.270 nan 0.000 0.426 570 I N 4.610 125.142 120.570 -0.064 0.000 2.421 570 I HA 0.080 4.243 4.170 -0.013 0.000 0.291 570 I C 0.337 176.224 176.117 -0.384 0.000 1.089 570 I CA 0.333 61.534 61.300 -0.164 0.000 1.354 570 I CB -0.659 37.255 38.000 -0.143 0.000 1.413 570 I HN 0.426 nan 8.210 nan 0.000 0.513 571 H N 2.967 121.953 119.070 -0.139 0.000 2.961 571 H HA 0.263 4.811 4.556 -0.013 0.000 0.371 571 H C 0.615 175.831 175.328 -0.187 0.000 1.190 571 H CA -0.591 55.424 56.048 -0.056 0.000 1.138 571 H CB 1.747 31.427 29.762 -0.136 0.000 1.816 571 H HN 0.454 nan 8.280 nan 0.000 0.551 572 E N 0.815 121.067 120.200 0.087 0.000 2.118 572 E HA -0.251 4.091 4.350 -0.013 0.000 0.195 572 E C 1.260 177.578 176.600 -0.470 0.000 0.992 572 E CA 1.612 57.977 56.400 -0.060 0.000 0.804 572 E CB -0.027 29.819 29.700 0.243 0.000 0.741 572 E HN 0.671 nan 8.360 nan 0.000 0.458 573 Y N 0.819 120.576 120.300 -0.906 0.000 2.352 573 Y HA -0.058 4.484 4.550 -0.013 0.000 0.292 573 Y C 1.543 177.188 175.900 -0.426 0.000 1.136 573 Y CA 0.941 58.367 58.100 -1.123 0.000 1.227 573 Y CB -0.129 37.754 38.460 -0.963 0.000 0.991 573 Y HN -0.204 nan 8.280 nan 0.000 0.545 574 K N 0.623 120.548 120.400 -0.791 0.000 2.366 574 K HA 0.062 4.374 4.320 -0.013 0.000 0.198 574 K C 0.172 176.600 176.600 -0.287 0.000 1.044 574 K CA 0.582 56.534 56.287 -0.557 0.000 0.973 574 K CB -0.033 32.140 32.500 -0.546 0.000 0.767 574 K HN 0.259 nan 8.250 nan 0.000 0.475 575 R N 0.315 120.671 120.500 -0.240 0.000 3.423 575 R HA -0.227 4.105 4.340 -0.013 0.000 0.271 575 R C 0.307 176.524 176.300 -0.137 0.000 1.093 575 R CA 0.233 56.244 56.100 -0.149 0.000 0.730 575 R CB -1.972 28.259 30.300 -0.116 0.000 1.190 575 R HN 0.294 nan 8.270 nan 0.000 0.437 576 Q N 0.355 120.073 119.800 -0.137 0.000 2.248 576 Q HA -0.099 4.234 4.340 -0.013 0.000 0.208 576 Q C 2.032 177.980 176.000 -0.087 0.000 0.984 576 Q CA 1.615 57.352 55.803 -0.109 0.000 0.875 576 Q CB -0.030 28.647 28.738 -0.102 0.000 0.910 576 Q HN 0.587 nan 8.270 nan 0.000 0.433 577 L N -0.652 120.521 121.223 -0.083 0.000 2.083 577 L HA -0.179 4.153 4.340 -0.013 0.000 0.209 577 L C 2.020 178.885 176.870 -0.008 0.000 1.083 577 L CA 0.538 55.343 54.840 -0.058 0.000 0.752 577 L CB -0.318 41.716 42.059 -0.041 0.000 0.899 577 L HN 0.309 nan 8.230 nan 0.000 0.433 578 L N -0.039 121.173 121.223 -0.020 0.000 2.056 578 L HA -0.233 4.099 4.340 -0.013 0.000 0.207 578 L C 2.024 178.940 176.870 0.076 0.000 1.078 578 L CA 1.887 56.726 54.840 -0.002 0.000 0.749 578 L CB -0.808 41.146 42.059 -0.175 0.000 0.901 578 L HN 0.281 nan 8.230 nan 0.000 0.433 579 N N -1.592 117.121 118.700 0.020 0.000 2.069 579 N HA -0.248 4.484 4.740 -0.013 0.000 0.191 579 N C 1.953 177.543 175.510 0.133 0.000 1.031 579 N CA 1.732 54.874 53.050 0.154 0.000 0.852 579 N CB -0.159 38.349 38.487 0.036 0.000 1.018 579 N HN 0.500 nan 8.380 nan 0.000 0.423 580 C N 0.593 119.906 119.300 0.020 0.000 2.401 580 C HA -0.100 4.353 4.460 -0.013 0.000 0.276 580 C C 2.595 177.573 174.990 -0.020 0.000 1.233 580 C CA 0.439 59.423 59.018 -0.058 0.000 1.753 580 C CB -1.285 26.367 27.740 -0.146 0.000 2.029 580 C HN 0.506 nan 8.230 nan 0.000 0.478 581 L N -0.437 120.835 121.223 0.081 0.000 2.083 581 L HA -0.188 4.145 4.340 -0.013 0.000 0.209 581 L C 2.765 179.787 176.870 0.253 0.000 1.083 581 L CA 1.774 56.708 54.840 0.157 0.000 0.752 581 L CB -1.079 41.130 42.059 0.250 0.000 0.899 581 L HN 0.587 nan 8.230 nan 0.000 0.433 582 H N 0.070 119.253 119.070 0.189 0.000 2.321 582 H HA -0.138 4.410 4.556 -0.013 0.000 0.300 582 H C 2.239 177.561 175.328 -0.011 0.000 1.087 582 H CA 1.932 58.006 56.048 0.043 0.000 1.319 582 H CB 0.304 30.013 29.762 -0.089 0.000 1.379 582 H HN 0.088 nan 8.280 nan 0.000 0.501 583 V N 1.656 121.496 119.914 -0.123 0.000 2.287 583 V HA -0.292 3.821 4.120 -0.013 0.000 0.248 583 V C 2.861 178.890 176.094 -0.108 0.000 1.053 583 V CA 2.029 64.222 62.300 -0.178 0.000 1.027 583 V CB -0.547 31.215 31.823 -0.101 0.000 0.646 583 V HN 0.393 nan 8.190 nan 0.000 0.447 584 I N -0.227 120.315 120.570 -0.046 0.000 2.286 584 I HA -0.223 3.939 4.170 -0.013 0.000 0.248 584 I C 2.508 178.684 176.117 0.100 0.000 1.115 584 I CA 1.719 63.065 61.300 0.076 0.000 1.392 584 I CB -0.770 37.248 38.000 0.030 0.000 1.065 584 I HN 0.329 nan 8.210 nan 0.000 0.418 585 T N 1.316 115.883 114.554 0.022 0.000 2.684 585 T HA -0.170 4.172 4.350 -0.013 0.000 0.267 585 T C 1.881 176.534 174.700 -0.078 0.000 1.036 585 T CA 1.325 63.427 62.100 0.004 0.000 1.148 585 T CB -0.279 68.616 68.868 0.045 0.000 0.863 585 T HN 0.084 nan 8.240 nan 0.000 0.436 586 L N 0.005 121.111 121.223 -0.195 0.000 2.046 586 L HA -0.006 4.326 4.340 -0.013 0.000 0.208 586 L C 2.103 178.934 176.870 -0.065 0.000 1.077 586 L CA 1.548 56.271 54.840 -0.194 0.000 0.747 586 L CB -1.062 40.808 42.059 -0.315 0.000 0.896 586 L HN 0.364 nan 8.230 nan 0.000 0.432 587 Y N 0.285 120.524 120.300 -0.101 0.000 2.145 587 Y HA -0.294 4.248 4.550 -0.013 0.000 0.286 587 Y C 2.423 178.308 175.900 -0.025 0.000 1.145 587 Y CA 1.862 59.944 58.100 -0.031 0.000 1.148 587 Y CB -0.086 38.406 38.460 0.053 0.000 0.981 587 Y HN 0.283 nan 8.280 nan 0.000 0.507 588 N N 0.424 119.084 118.700 -0.065 0.000 2.166 588 N HA -0.137 4.596 4.740 -0.013 0.000 0.186 588 N C 1.823 177.225 175.510 -0.181 0.000 1.019 588 N CA 1.494 54.443 53.050 -0.169 0.000 0.856 588 N CB -0.370 38.081 38.487 -0.060 0.000 0.993 588 N HN 0.442 nan 8.380 nan 0.000 0.426 589 R N 0.403 120.823 120.500 -0.133 0.000 2.075 589 R HA 0.065 4.397 4.340 -0.013 0.000 0.232 589 R C 2.222 178.438 176.300 -0.140 0.000 1.126 589 R CA 0.769 56.798 56.100 -0.119 0.000 0.963 589 R CB -0.270 29.970 30.300 -0.100 0.000 0.858 589 R HN 0.236 nan 8.270 nan 0.000 0.435 590 I N 0.977 121.445 120.570 -0.170 0.000 2.179 590 I HA -0.279 3.883 4.170 -0.013 0.000 0.242 590 I C 2.146 178.145 176.117 -0.197 0.000 1.088 590 I CA 1.231 62.429 61.300 -0.170 0.000 1.357 590 I CB -0.205 37.698 38.000 -0.162 0.000 1.051 590 I HN 0.010 nan 8.210 nan 0.000 0.409 591 K N 0.854 121.069 120.400 -0.308 0.000 2.152 591 K HA -0.208 4.104 4.320 -0.013 0.000 0.206 591 K C 2.009 178.504 176.600 -0.176 0.000 1.048 591 K CA 1.249 57.364 56.287 -0.287 0.000 0.933 591 K CB -0.314 31.925 32.500 -0.436 0.000 0.721 591 K HN 0.342 nan 8.250 nan 0.000 0.447 592 K N 1.065 121.371 120.400 -0.157 0.000 2.076 592 K HA -0.066 4.246 4.320 -0.013 0.000 0.204 592 K C 0.058 176.609 176.600 -0.082 0.000 1.051 592 K CA 0.996 57.218 56.287 -0.108 0.000 0.949 592 K CB 0.351 32.792 32.500 -0.098 0.000 0.726 592 K HN 0.053 nan 8.250 nan 0.000 0.443 593 E N 0.420 120.571 120.200 -0.082 0.000 3.037 593 E HA 0.120 4.463 4.350 -0.013 0.000 0.220 593 E C -2.304 174.261 176.600 -0.059 0.000 1.142 593 E CA -1.689 54.675 56.400 -0.058 0.000 0.888 593 E CB 1.688 31.360 29.700 -0.046 0.000 1.329 593 E HN 0.158 nan 8.360 nan 0.000 0.409 594 P HA -0.116 nan 4.420 nan 0.000 0.218 594 P C 0.188 177.469 177.300 -0.031 0.000 1.149 594 P CA 1.118 64.185 63.100 -0.055 0.000 0.817 594 P CB 0.214 31.886 31.700 -0.047 0.000 0.785 595 N N -1.128 117.563 118.700 -0.016 0.000 2.276 595 N HA 0.026 4.758 4.740 -0.013 0.000 0.212 595 N C 0.461 175.985 175.510 0.024 0.000 1.127 595 N CA -0.109 52.944 53.050 0.005 0.000 0.834 595 N CB 0.117 38.607 38.487 0.005 0.000 1.014 595 N HN -0.012 nan 8.380 nan 0.000 0.491 596 K N 1.171 121.580 120.400 0.014 0.000 2.130 596 K HA 0.165 4.477 4.320 -0.013 0.000 0.268 596 K C -0.955 175.683 176.600 0.063 0.000 0.983 596 K CA -0.609 55.702 56.287 0.040 0.000 0.893 596 K CB 0.743 33.247 32.500 0.007 0.000 1.066 596 K HN -0.043 nan 8.250 nan 0.000 0.450 597 F N 4.661 124.597 119.950 -0.022 0.000 2.495 597 F HA 0.194 4.713 4.527 -0.013 0.000 0.365 597 F C -0.364 175.422 175.800 -0.024 0.000 1.090 597 F CA -0.149 57.839 58.000 -0.020 0.000 1.235 597 F CB 0.590 39.581 39.000 -0.015 0.000 1.119 597 F HN 0.174 nan 8.300 nan 0.000 0.562 598 V N 4.400 123.768 119.914 -0.910 0.000 2.789 598 V HA 0.545 4.657 4.120 -0.013 0.000 0.311 598 V C -0.692 174.762 176.094 -1.067 0.000 1.073 598 V CA -1.214 60.644 62.300 -0.738 0.000 0.921 598 V CB 0.999 32.603 31.823 -0.364 0.000 1.009 598 V HN 0.580 nan 8.190 nan 0.000 0.426 599 V N 4.977 124.530 119.914 -0.602 0.000 2.493 599 V HA 0.182 4.294 4.120 -0.013 0.000 0.292 599 V C -1.821 174.102 176.094 -0.286 0.000 1.016 599 V CA -0.448 61.651 62.300 -0.334 0.000 1.097 599 V CB 0.301 32.064 31.823 -0.100 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.306 nan 4.420 nan 0.000 0.268 600 P C -0.394 176.816 177.300 -0.150 0.000 1.205 600 P CA -0.018 62.992 63.100 -0.150 0.000 0.771 600 P CB 0.516 32.178 31.700 -0.063 0.000 0.858 601 R N 1.084 121.507 120.500 -0.127 0.000 2.686 601 R HA 0.519 4.851 4.340 -0.013 0.000 0.283 601 R C -0.738 175.516 176.300 -0.076 0.000 0.978 601 R CA -0.591 55.435 56.100 -0.123 0.000 0.897 601 R CB 1.887 32.102 30.300 -0.143 0.000 1.192 601 R HN 0.310 nan 8.270 nan 0.000 0.457 602 T N 2.377 116.897 114.554 -0.057 0.000 2.770 602 T HA 0.231 4.573 4.350 -0.013 0.000 0.297 602 T C -0.257 174.347 174.700 -0.160 0.000 0.997 602 T CA -0.465 61.555 62.100 -0.133 0.000 0.949 602 T CB 1.061 69.767 68.868 -0.269 0.000 0.941 602 T HN 0.130 nan 8.240 nan 0.000 0.457 603 V N 6.060 125.893 119.914 -0.134 0.000 2.368 603 V HA 0.391 4.503 4.120 -0.013 0.000 0.266 603 V C 0.082 176.097 176.094 -0.133 0.000 1.045 603 V CA -0.392 61.837 62.300 -0.118 0.000 0.899 603 V CB 0.503 32.274 31.823 -0.087 0.000 1.006 603 V HN 0.860 nan 8.190 nan 0.000 0.470 604 M N 6.786 126.298 119.600 -0.147 0.000 2.227 604 M HA 0.615 5.088 4.480 -0.013 0.000 0.335 604 M C -0.954 175.243 176.300 -0.172 0.000 1.053 604 M CA -0.151 55.055 55.300 -0.156 0.000 0.973 604 M CB 1.925 34.432 32.600 -0.155 0.000 1.623 604 M HN 0.403 nan 8.290 nan 0.000 0.434 605 I N 1.885 122.339 120.570 -0.193 0.000 2.498 605 I HA 0.842 5.004 4.170 -0.013 0.000 0.290 605 I C 0.110 175.924 176.117 -0.506 0.000 1.032 605 I CA -0.644 60.517 61.300 -0.231 0.000 1.073 605 I CB 2.268 40.220 38.000 -0.080 0.000 1.251 605 I HN 0.809 nan 8.210 nan 0.000 0.426 606 G N 2.928 111.391 108.800 -0.561 0.000 2.690 606 G HA2 0.834 4.787 3.960 -0.013 0.000 0.293 606 G HA3 0.834 4.787 3.960 -0.013 0.000 0.293 606 G C -0.993 173.619 174.900 -0.481 0.000 1.399 606 G CA -0.754 43.859 45.100 -0.810 0.000 0.890 606 G HN 0.999 nan 8.290 nan 0.000 0.485 607 G N -0.414 108.245 108.800 -0.235 0.000 2.337 607 G HA2 0.392 4.345 3.960 -0.013 0.000 0.310 607 G HA3 0.392 4.345 3.960 -0.013 0.000 0.310 607 G C -1.247 173.786 174.900 0.220 0.000 1.534 607 G CA -1.041 44.096 45.100 0.063 0.000 0.982 607 G HN 0.611 nan 8.290 nan 0.000 0.672 608 K N -0.093 120.431 120.400 0.207 0.000 2.118 608 K HA 0.747 5.059 4.320 -0.013 0.000 0.267 608 K C 0.317 177.034 176.600 0.194 0.000 0.991 608 K CA -0.127 56.298 56.287 0.230 0.000 0.916 608 K CB 1.977 34.526 32.500 0.081 0.000 1.041 608 K HN 0.885 nan 8.250 nan 0.000 0.455 609 A N 1.403 124.371 122.820 0.245 0.000 2.312 609 A HA 0.627 4.939 4.320 -0.013 0.000 0.326 609 A C -0.433 177.330 177.584 0.299 0.000 1.172 609 A CA -0.741 51.383 52.037 0.145 0.000 0.821 609 A CB 0.983 19.999 19.000 0.027 0.000 1.166 609 A HN 0.778 nan 8.150 nan 0.000 0.493 610 A N 3.515 126.499 122.820 0.274 0.000 2.546 610 A HA 0.446 4.759 4.320 -0.013 0.000 0.243 610 A C -1.417 176.285 177.584 0.198 0.000 1.063 610 A CA -0.715 51.502 52.037 0.301 0.000 0.757 610 A CB -0.380 18.796 19.000 0.293 0.000 0.991 610 A HN 0.594 nan 8.150 nan 0.000 0.503 611 P HA -0.133 nan 4.420 nan 0.000 0.217 611 P C 1.279 178.589 177.300 0.017 0.000 1.148 611 P CA 1.932 64.988 63.100 -0.073 0.000 0.828 611 P CB 0.221 31.806 31.700 -0.192 0.000 0.783 612 G N -3.000 105.846 108.800 0.076 0.000 3.189 612 G HA2 -0.068 3.884 3.960 -0.013 0.000 0.225 612 G HA3 -0.068 3.884 3.960 -0.013 0.000 0.225 612 G C -0.260 174.733 174.900 0.156 0.000 1.159 612 G CA -0.104 45.044 45.100 0.080 0.000 0.763 612 G HN 0.306 nan 8.290 nan 0.000 0.549 613 Y N 1.646 121.974 120.300 0.046 0.000 2.676 613 Y HA 0.202 4.744 4.550 -0.013 0.000 0.338 613 Y C 1.621 177.568 175.900 0.077 0.000 1.057 613 Y CA -1.078 57.057 58.100 0.059 0.000 1.314 613 Y CB 0.148 38.637 38.460 0.049 0.000 1.164 613 Y HN 0.313 nan 8.280 nan 0.000 0.509 614 H N 4.163 123.392 119.070 0.265 0.000 2.319 614 H HA -0.220 4.328 4.556 -0.013 0.000 0.299 614 H C 1.799 177.186 175.328 0.098 0.000 1.092 614 H CA 2.323 58.455 56.048 0.140 0.000 1.302 614 H CB 0.367 30.194 29.762 0.107 0.000 1.373 614 H HN 0.726 nan 8.280 nan 0.000 0.497 615 M N 1.107 120.731 119.600 0.040 0.000 2.108 615 M HA -0.089 4.384 4.480 -0.013 0.000 0.261 615 M C 2.549 178.642 176.300 -0.345 0.000 1.066 615 M CA 1.905 57.136 55.300 -0.115 0.000 1.107 615 M CB -0.737 31.942 32.600 0.131 0.000 1.356 615 M HN 0.345 nan 8.290 nan 0.000 0.406 616 A N -0.533 121.858 122.820 -0.716 0.000 1.933 616 A HA -0.179 4.133 4.320 -0.013 0.000 0.218 616 A C 2.195 179.581 177.584 -0.329 0.000 1.175 616 A CA 1.787 53.407 52.037 -0.694 0.000 0.628 616 A CB -0.638 17.702 19.000 -1.099 0.000 0.814 616 A HN 0.585 nan 8.150 nan 0.000 0.444 617 K N -1.127 119.141 120.400 -0.220 0.000 2.097 617 K HA -0.055 4.257 4.320 -0.013 0.000 0.205 617 K C 1.918 178.481 176.600 -0.062 0.000 1.050 617 K CA 1.257 57.501 56.287 -0.072 0.000 0.938 617 K CB -0.211 32.313 32.500 0.039 0.000 0.718 617 K HN 0.337 nan 8.250 nan 0.000 0.442 618 M N 0.526 120.041 119.600 -0.140 0.000 2.175 618 M HA -0.086 4.386 4.480 -0.013 0.000 0.264 618 M C 2.099 178.335 176.300 -0.107 0.000 1.063 618 M CA 1.401 56.654 55.300 -0.077 0.000 1.119 618 M CB -0.643 31.891 32.600 -0.110 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N -0.174 120.293 120.570 -0.172 0.000 2.226 619 I HA -0.306 3.856 4.170 -0.013 0.000 0.245 619 I C 2.291 178.268 176.117 -0.233 0.000 1.100 619 I CA 1.093 62.276 61.300 -0.194 0.000 1.374 619 I CB -0.336 37.550 38.000 -0.190 0.000 1.057 619 I HN 0.165 nan 8.210 nan 0.000 0.413 620 I N 0.686 121.097 120.570 -0.264 0.000 2.163 620 I HA -0.328 3.834 4.170 -0.013 0.000 0.243 620 I C 2.616 178.436 176.117 -0.495 0.000 1.085 620 I CA 1.365 62.399 61.300 -0.443 0.000 1.347 620 I CB -0.342 37.367 38.000 -0.485 0.000 1.044 620 I HN 0.157 nan 8.210 nan 0.000 0.408 621 K N 1.453 121.584 120.400 -0.449 0.000 2.063 621 K HA -0.169 4.143 4.320 -0.013 0.000 0.208 621 K C 2.037 178.471 176.600 -0.277 0.000 1.048 621 K CA 1.540 57.491 56.287 -0.559 0.000 0.928 621 K CB -0.603 31.292 32.500 -1.009 0.000 0.713 621 K HN 0.243 nan 8.250 nan 0.000 0.442 622 L N 0.345 121.427 121.223 -0.236 0.000 2.012 622 L HA -0.193 4.139 4.340 -0.013 0.000 0.210 622 L C 2.219 178.845 176.870 -0.406 0.000 1.073 622 L CA 1.822 56.352 54.840 -0.517 0.000 0.748 622 L CB -0.313 41.362 42.059 -0.639 0.000 0.891 622 L HN 0.276 nan 8.230 nan 0.000 0.431 623 I N -0.237 120.147 120.570 -0.311 0.000 2.163 623 I HA -0.341 3.822 4.170 -0.013 0.000 0.243 623 I C 2.643 178.650 176.117 -0.183 0.000 1.085 623 I CA 1.947 63.118 61.300 -0.214 0.000 1.347 623 I CB -0.585 37.366 38.000 -0.082 0.000 1.044 623 I HN 0.439 nan 8.210 nan 0.000 0.408 624 T N -0.818 113.599 114.554 -0.227 0.000 2.821 624 T HA -0.090 4.252 4.350 -0.013 0.000 0.267 624 T C 2.000 176.629 174.700 -0.118 0.000 1.046 624 T CA 0.966 62.964 62.100 -0.171 0.000 1.139 624 T CB -0.532 68.189 68.868 -0.244 0.000 0.871 624 T HN 0.339 nan 8.240 nan 0.000 0.454 625 A N 1.482 124.230 122.820 -0.120 0.000 1.933 625 A HA 0.128 4.440 4.320 -0.013 0.000 0.218 625 A C 2.387 179.985 177.584 0.022 0.000 1.175 625 A CA 1.321 53.355 52.037 -0.004 0.000 0.628 625 A CB -0.839 18.257 19.000 0.161 0.000 0.814 625 A HN 0.593 nan 8.150 nan 0.000 0.444 626 I N -0.309 120.176 120.570 -0.141 0.000 2.179 626 I HA -0.209 3.953 4.170 -0.013 0.000 0.242 626 I C 2.758 178.831 176.117 -0.074 0.000 1.088 626 I CA 1.168 62.368 61.300 -0.167 0.000 1.357 626 I CB -0.715 37.062 38.000 -0.371 0.000 1.051 626 I HN 0.390 nan 8.210 nan 0.000 0.409 627 G N 0.522 109.269 108.800 -0.088 0.000 2.476 627 G HA2 -0.297 3.655 3.960 -0.013 0.000 0.218 627 G HA3 -0.297 3.655 3.960 -0.013 0.000 0.218 627 G C 1.282 176.165 174.900 -0.029 0.000 1.164 627 G CA 1.231 46.288 45.100 -0.071 0.000 0.768 627 G HN 0.296 nan 8.290 nan 0.000 0.560 628 D N -0.108 120.311 120.400 0.033 0.000 2.182 628 D HA -0.080 4.552 4.640 -0.013 0.000 0.201 628 D C 2.693 179.088 176.300 0.158 0.000 0.986 628 D CA 0.727 54.811 54.000 0.140 0.000 0.847 628 D CB -0.157 40.679 40.800 0.060 0.000 0.942 628 D HN 0.262 nan 8.370 nan 0.000 0.467 629 V N 0.099 120.030 119.914 0.029 0.000 2.331 629 V HA -0.128 3.984 4.120 -0.013 0.000 0.242 629 V C 2.584 178.606 176.094 -0.120 0.000 1.034 629 V CA 0.713 62.965 62.300 -0.079 0.000 1.027 629 V CB -0.195 31.516 31.823 -0.187 0.000 0.667 629 V HN 0.022 nan 8.190 nan 0.000 0.457 630 V N 0.951 120.748 119.914 -0.195 0.000 2.307 630 V HA -0.194 3.918 4.120 -0.013 0.000 0.245 630 V C 2.148 178.192 176.094 -0.084 0.000 1.045 630 V CA 2.018 64.200 62.300 -0.196 0.000 1.024 630 V CB -0.847 30.864 31.823 -0.185 0.000 0.651 630 V HN 0.563 nan 8.190 nan 0.000 0.449 631 N N -0.279 118.317 118.700 -0.174 0.000 2.512 631 N HA -0.086 4.646 4.740 -0.013 0.000 0.183 631 N C 1.150 176.384 175.510 -0.459 0.000 1.073 631 N CA 0.902 53.756 53.050 -0.327 0.000 0.911 631 N CB -0.275 37.943 38.487 -0.450 0.000 0.964 631 N HN 0.691 nan 8.380 nan 0.000 0.447 632 H N -1.506 117.565 119.070 0.001 0.000 2.674 632 H HA 0.212 4.760 4.556 -0.013 0.000 0.274 632 H C -0.551 174.793 175.328 0.027 0.000 1.121 632 H CA -0.491 55.562 56.048 0.009 0.000 1.132 632 H CB 0.615 30.371 29.762 -0.010 0.000 1.606 632 H HN -0.016 nan 8.280 nan 0.000 0.558 633 D N 1.696 122.168 120.400 0.120 0.000 2.316 633 D HA 0.053 4.685 4.640 -0.013 0.000 0.245 633 D C -1.664 174.695 176.300 0.099 0.000 1.171 633 D CA -2.038 52.047 54.000 0.143 0.000 0.856 633 D CB 1.792 42.753 40.800 0.268 0.000 1.090 633 D HN 0.101 nan 8.370 nan 0.000 0.476 634 P HA -0.102 nan 4.420 nan 0.000 0.218 634 P C 1.596 178.919 177.300 0.038 0.000 1.149 634 P CA 0.327 63.458 63.100 0.051 0.000 0.817 634 P CB 0.432 32.158 31.700 0.043 0.000 0.785 635 V N -0.505 119.432 119.914 0.038 0.000 2.490 635 V HA -0.175 3.937 4.120 -0.013 0.000 0.250 635 V C 2.457 178.555 176.094 0.007 0.000 1.061 635 V CA 1.510 63.818 62.300 0.013 0.000 1.064 635 V CB -1.064 30.755 31.823 -0.006 0.000 0.670 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.240 119.695 119.914 0.036 0.000 2.307 636 V HA 0.075 4.187 4.120 -0.013 0.000 0.245 636 V C 1.787 177.888 176.094 0.012 0.000 1.045 636 V CA 1.764 64.084 62.300 0.034 0.000 1.024 636 V CB -1.144 30.745 31.823 0.110 0.000 0.651 636 V HN 0.764 nan 8.190 nan 0.000 0.449 637 G N 1.335 110.147 108.800 0.020 0.000 2.514 637 G HA2 -0.333 3.619 3.960 -0.013 0.000 0.265 637 G HA3 -0.333 3.619 3.960 -0.013 0.000 0.265 637 G C 0.181 175.084 174.900 0.005 0.000 1.150 637 G CA 0.389 45.496 45.100 0.012 0.000 0.959 637 G HN 0.692 nan 8.290 nan 0.000 0.556 638 D N 0.250 120.651 120.400 0.002 0.000 2.463 638 D HA 0.243 4.875 4.640 -0.013 0.000 0.224 638 D C 1.696 177.988 176.300 -0.014 0.000 1.174 638 D CA -0.046 53.955 54.000 0.001 0.000 0.829 638 D CB -0.029 40.781 40.800 0.017 0.000 0.993 638 D HN 0.594 nan 8.370 nan 0.000 0.497 639 R N -0.661 119.820 120.500 -0.032 0.000 2.200 639 R HA 0.234 4.566 4.340 -0.013 0.000 0.208 639 R C -0.095 176.159 176.300 -0.076 0.000 1.033 639 R CA 0.203 56.260 56.100 -0.071 0.000 1.000 639 R CB 0.379 30.618 30.300 -0.101 0.000 0.906 639 R HN 0.104 nan 8.270 nan 0.000 0.462 640 L N 0.707 121.902 121.223 -0.046 0.000 2.516 640 L HA 0.388 4.720 4.340 -0.013 0.000 0.267 640 L C -1.566 175.277 176.870 -0.045 0.000 0.957 640 L CA -0.479 54.333 54.840 -0.048 0.000 0.860 640 L CB 1.791 43.836 42.059 -0.024 0.000 1.265 640 L HN -0.177 nan 8.230 nan 0.000 0.403 641 R N 3.975 124.435 120.500 -0.067 0.000 2.575 641 R HA 0.765 5.097 4.340 -0.013 0.000 0.293 641 R C -1.644 174.597 176.300 -0.098 0.000 0.983 641 R CA -0.776 55.274 56.100 -0.084 0.000 0.887 641 R CB 2.412 32.663 30.300 -0.082 0.000 1.184 641 R HN 0.413 nan 8.270 nan 0.000 0.445 642 V N 4.933 124.787 119.914 -0.100 0.000 2.407 642 V HA 0.491 4.603 4.120 -0.013 0.000 0.291 642 V C -0.309 175.736 176.094 -0.082 0.000 1.018 642 V CA -0.735 61.508 62.300 -0.094 0.000 0.842 642 V CB 1.584 33.350 31.823 -0.095 0.000 0.996 642 V HN 0.538 nan 8.190 nan 0.000 0.426 643 I N 4.876 125.398 120.570 -0.080 0.000 2.436 643 I HA 0.425 4.587 4.170 -0.013 0.000 0.289 643 I C -0.605 175.495 176.117 -0.030 0.000 1.010 643 I CA -0.323 60.939 61.300 -0.063 0.000 1.098 643 I CB 1.885 39.823 38.000 -0.104 0.000 1.266 643 I HN 0.550 nan 8.210 nan 0.000 0.434 644 F N 7.078 126.956 119.950 -0.120 0.000 2.421 644 F HA 0.430 4.950 4.527 -0.013 0.000 0.358 644 F C -0.364 175.365 175.800 -0.118 0.000 1.115 644 F CA -0.567 57.365 58.000 -0.113 0.000 1.160 644 F CB 0.579 39.516 39.000 -0.106 0.000 1.123 644 F HN 0.187 nan 8.300 nan 0.000 0.508 645 L N 6.317 127.148 121.223 -0.654 0.000 2.407 645 L HA 0.140 4.473 4.340 -0.013 0.000 0.282 645 L C 0.290 176.866 176.870 -0.489 0.000 1.110 645 L CA 0.181 54.747 54.840 -0.457 0.000 0.863 645 L CB 0.092 41.970 42.059 -0.301 0.000 1.207 645 L HN 0.602 nan 8.230 nan 0.000 0.454 646 E N 3.401 123.455 120.200 -0.243 0.000 2.373 646 E HA -0.024 4.319 4.350 -0.013 0.000 0.267 646 E C 0.496 177.136 176.600 0.066 0.000 1.032 646 E CA -0.227 56.176 56.400 0.005 0.000 0.889 646 E CB 0.327 30.024 29.700 -0.005 0.000 0.984 646 E HN 0.546 nan 8.360 nan 0.000 0.425 647 N N 2.550 121.355 118.700 0.173 0.000 2.740 647 N HA -0.281 4.451 4.740 -0.013 0.000 0.248 647 N C -1.505 174.097 175.510 0.153 0.000 1.062 647 N CA 0.549 53.705 53.050 0.177 0.000 0.704 647 N CB -1.687 36.922 38.487 0.202 0.000 0.968 647 N HN 0.499 nan 8.380 nan 0.000 0.547 648 Y N 1.559 121.863 120.300 0.007 0.000 2.721 648 Y HA 0.136 4.678 4.550 -0.013 0.000 0.329 648 Y C 1.141 177.062 175.900 0.035 0.000 1.211 648 Y CA 0.781 58.877 58.100 -0.008 0.000 1.512 648 Y CB 0.293 38.715 38.460 -0.063 0.000 1.249 648 Y HN 0.372 nan 8.280 nan 0.000 0.549 649 R N 2.488 122.644 120.500 -0.574 0.000 2.741 649 R HA 0.431 4.764 4.340 -0.013 0.000 0.274 649 R C -0.554 175.414 176.300 -0.552 0.000 1.029 649 R CA -0.573 55.288 56.100 -0.398 0.000 0.880 649 R CB 0.315 30.578 30.300 -0.063 0.000 1.264 649 R HN 0.359 nan 8.270 nan 0.000 0.465 650 V N 1.114 120.726 119.914 -0.504 0.000 2.282 650 V HA -0.297 3.815 4.120 -0.013 0.000 0.249 650 V C 2.609 178.573 176.094 -0.216 0.000 1.057 650 V CA 2.856 64.919 62.300 -0.394 0.000 1.032 650 V CB -0.844 30.702 31.823 -0.461 0.000 0.645 650 V HN 0.927 nan 8.190 nan 0.000 0.447 651 S N 0.089 115.688 115.700 -0.169 0.000 2.382 651 S HA -0.203 4.260 4.470 -0.013 0.000 0.228 651 S C 1.946 176.497 174.600 -0.082 0.000 1.027 651 S CA 1.765 59.897 58.200 -0.114 0.000 0.991 651 S CB -0.577 62.587 63.200 -0.060 0.000 0.823 651 S HN 0.387 nan 8.310 nan 0.000 0.469 652 L N 2.048 123.232 121.223 -0.065 0.000 2.109 652 L HA 0.279 4.612 4.340 -0.013 0.000 0.207 652 L C 2.748 179.640 176.870 0.036 0.000 1.086 652 L CA 1.455 56.303 54.840 0.013 0.000 0.760 652 L CB -1.340 40.786 42.059 0.111 0.000 0.910 652 L HN 0.362 nan 8.230 nan 0.000 0.437 653 A N -0.677 122.135 122.820 -0.013 0.000 1.917 653 A HA -0.270 4.042 4.320 -0.013 0.000 0.219 653 A C 2.148 179.801 177.584 0.116 0.000 1.182 653 A CA 2.003 54.112 52.037 0.120 0.000 0.633 653 A CB -0.673 18.378 19.000 0.084 0.000 0.819 653 A HN 0.603 nan 8.150 nan 0.000 0.448 654 E N -0.539 119.707 120.200 0.077 0.000 2.265 654 E HA -0.169 4.174 4.350 -0.013 0.000 0.196 654 E C 1.939 178.513 176.600 -0.044 0.000 0.996 654 E CA 1.243 57.642 56.400 -0.002 0.000 0.832 654 E CB -0.054 29.547 29.700 -0.165 0.000 0.756 654 E HN 0.640 nan 8.360 nan 0.000 0.491 655 K N 0.008 120.370 120.400 -0.064 0.000 2.141 655 K HA 0.017 4.329 4.320 -0.013 0.000 0.202 655 K C 2.170 178.629 176.600 -0.236 0.000 1.045 655 K CA 0.486 56.728 56.287 -0.074 0.000 0.971 655 K CB -0.037 32.426 32.500 -0.062 0.000 0.795 655 K HN -0.045 nan 8.250 nan 0.000 0.459 656 V N 1.918 121.607 119.914 -0.374 0.000 2.488 656 V HA -0.141 3.971 4.120 -0.013 0.000 0.246 656 V C 1.919 177.780 176.094 -0.388 0.000 1.046 656 V CA 1.269 63.116 62.300 -0.756 0.000 1.053 656 V CB -0.171 31.322 31.823 -0.550 0.000 0.679 656 V HN 0.244 nan 8.190 nan 0.000 0.458 657 I N 0.711 121.107 120.570 -0.291 0.000 2.163 657 I HA -0.147 4.016 4.170 -0.013 0.000 0.243 657 I C -0.206 175.802 176.117 -0.182 0.000 1.085 657 I CA 1.736 62.793 61.300 -0.405 0.000 1.347 657 I CB -1.586 36.035 38.000 -0.632 0.000 1.044 657 I HN 0.371 nan 8.210 nan 0.000 0.408 658 P HA -0.127 nan 4.420 nan 0.000 0.222 658 P C 1.087 178.384 177.300 -0.006 0.000 1.147 658 P CA 1.352 64.431 63.100 -0.034 0.000 0.790 658 P CB 0.006 31.695 31.700 -0.020 0.000 0.780 659 A N -1.016 121.782 122.820 -0.037 0.000 2.218 659 A HA 0.405 4.717 4.320 -0.013 0.000 0.209 659 A C 1.245 178.920 177.584 0.151 0.000 1.168 659 A CA 0.255 52.319 52.037 0.045 0.000 0.804 659 A CB -0.803 18.219 19.000 0.037 0.000 0.834 659 A HN 0.212 nan 8.150 nan 0.000 0.482 660 A N -0.068 122.847 122.820 0.158 0.000 2.388 660 A HA 0.459 4.772 4.320 -0.013 0.000 0.257 660 A C 0.365 178.098 177.584 0.249 0.000 1.095 660 A CA -0.122 52.075 52.037 0.267 0.000 0.791 660 A CB 0.330 19.589 19.000 0.431 0.000 1.029 660 A HN 0.279 nan 8.150 nan 0.000 0.489 661 D N 0.415 120.966 120.400 0.252 0.000 2.431 661 D HA 0.130 4.762 4.640 -0.013 0.000 0.235 661 D C 0.030 176.554 176.300 0.373 0.000 0.980 661 D CA 0.717 54.927 54.000 0.350 0.000 0.912 661 D CB 0.305 41.241 40.800 0.227 0.000 1.056 661 D HN 0.364 nan 8.370 nan 0.000 0.494 662 L N 1.045 122.366 121.223 0.164 0.000 2.381 662 L HA 0.304 4.636 4.340 -0.013 0.000 0.274 662 L C -0.890 175.859 176.870 -0.202 0.000 0.988 662 L CA -0.307 54.549 54.840 0.027 0.000 0.824 662 L CB 2.131 44.184 42.059 -0.010 0.000 1.263 662 L HN -0.187 nan 8.230 nan 0.000 0.410 663 S N 4.184 119.675 115.700 -0.349 0.000 2.429 663 S HA 0.333 4.795 4.470 -0.013 0.000 0.302 663 S C -0.412 173.915 174.600 -0.456 0.000 1.115 663 S CA -0.669 57.081 58.200 -0.750 0.000 1.095 663 S CB 0.667 63.371 63.200 -0.826 0.000 0.987 663 S HN 0.554 nan 8.310 nan 0.000 0.474 664 E N 4.110 124.055 120.200 -0.425 0.000 2.089 664 E HA 0.201 4.543 4.350 -0.013 0.000 0.284 664 E C -0.527 175.965 176.600 -0.180 0.000 1.023 664 E CA -0.380 55.895 56.400 -0.208 0.000 0.819 664 E CB 0.959 30.567 29.700 -0.155 0.000 1.076 664 E HN 0.600 nan 8.360 nan 0.000 0.396 665 Q N 2.816 122.567 119.800 -0.081 0.000 2.965 665 Q HA 0.270 4.602 4.340 -0.013 0.000 0.288 665 Q C 0.598 176.592 176.000 -0.009 0.000 0.974 665 Q CA -0.131 55.639 55.803 -0.055 0.000 0.849 665 Q CB 0.196 28.914 28.738 -0.032 0.000 1.280 665 Q HN 0.608 nan 8.270 nan 0.000 0.441 666 I N -1.791 118.758 120.570 -0.035 0.000 3.654 666 I HA 0.274 4.436 4.170 -0.013 0.000 0.337 666 I C 0.401 176.470 176.117 -0.079 0.000 1.568 666 I CA -0.702 60.592 61.300 -0.010 0.000 1.115 666 I CB 0.499 38.499 38.000 -0.001 0.000 1.300 666 I HN -0.006 nan 8.210 nan 0.000 0.471 667 S N 0.402 116.053 115.700 -0.081 0.000 2.568 667 S HA 0.177 4.639 4.470 -0.013 0.000 0.282 667 S C 0.584 175.165 174.600 -0.031 0.000 1.338 667 S CA -0.260 57.909 58.200 -0.051 0.000 1.045 667 S CB 0.277 63.494 63.200 0.030 0.000 0.873 667 S HN 0.388 nan 8.310 nan 0.000 0.516 668 T N 2.881 117.450 114.554 0.024 0.000 2.908 668 T HA 0.358 4.700 4.350 -0.013 0.000 0.301 668 T C 0.785 175.498 174.700 0.021 0.000 1.019 668 T CA 0.288 62.411 62.100 0.037 0.000 1.152 668 T CB -0.087 68.873 68.868 0.152 0.000 0.966 668 T HN 1.029 nan 8.240 nan 0.000 0.540 669 A N 2.750 125.550 122.820 -0.033 0.000 2.584 669 A HA 0.446 4.758 4.320 -0.013 0.000 0.239 669 A C 1.649 179.229 177.584 -0.007 0.000 1.043 669 A CA 0.281 52.295 52.037 -0.038 0.000 0.756 669 A CB -0.882 18.082 19.000 -0.060 0.000 0.963 669 A HN 1.780 nan 8.150 nan 0.000 0.511 670 G N 1.361 110.157 108.800 -0.007 0.000 2.175 670 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.244 670 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.244 670 G C 0.813 175.709 174.900 -0.008 0.000 0.982 670 G CA 1.177 46.275 45.100 -0.004 0.000 0.641 670 G HN 2.014 nan 8.290 nan 0.000 0.527 671 T N -2.688 111.864 114.554 -0.004 0.000 3.026 671 T HA 0.405 4.747 4.350 -0.013 0.000 0.245 671 T C 0.746 175.324 174.700 -0.204 0.000 1.004 671 T CA 1.007 63.053 62.100 -0.091 0.000 1.069 671 T CB 0.531 69.413 68.868 0.024 0.000 1.005 671 T HN 0.267 nan 8.240 nan 0.000 0.472 672 E N 1.649 121.857 120.200 0.013 0.000 2.052 672 E HA 0.654 4.996 4.350 -0.013 0.000 0.283 672 E C 1.192 177.752 176.600 -0.068 0.000 1.071 672 E CA 0.104 56.546 56.400 0.069 0.000 0.851 672 E CB 0.737 30.524 29.700 0.145 0.000 1.066 672 E HN 0.370 nan 8.360 nan 0.000 0.396 673 A N 3.419 126.119 122.820 -0.200 0.000 1.903 673 A HA -0.238 4.074 4.320 -0.013 0.000 0.219 673 A C 2.011 179.468 177.584 -0.211 0.000 1.191 673 A CA 2.333 54.114 52.037 -0.428 0.000 0.638 673 A CB -0.301 18.196 19.000 -0.837 0.000 0.823 673 A HN 0.604 nan 8.150 nan 0.000 0.451 674 S N -3.891 111.743 115.700 -0.109 0.000 3.770 674 S HA 0.449 4.911 4.470 -0.013 0.000 0.238 674 S C 0.723 175.310 174.600 -0.021 0.000 1.143 674 S CA 1.429 59.610 58.200 -0.032 0.000 0.869 674 S CB -0.129 63.075 63.200 0.006 0.000 1.057 674 S HN 2.279 nan 8.310 nan 0.000 0.507 675 G N 0.462 109.254 108.800 -0.013 0.000 2.722 675 G HA2 -0.082 3.870 3.960 -0.013 0.000 0.686 675 G HA3 -0.082 3.870 3.960 -0.013 0.000 0.686 675 G C 0.268 175.146 174.900 -0.037 0.000 1.282 675 G CA 0.464 45.553 45.100 -0.018 0.000 0.817 675 G HN 1.293 nan 8.290 nan 0.000 0.605 676 T N -1.647 112.872 114.554 -0.058 0.000 3.010 676 T HA 0.378 4.721 4.350 -0.013 0.000 0.253 676 T C 2.458 177.056 174.700 -0.171 0.000 0.939 676 T CA 1.299 63.335 62.100 -0.106 0.000 0.910 676 T CB 0.143 68.941 68.868 -0.117 0.000 1.226 676 T HN 1.936 nan 8.240 nan 0.000 0.508 677 G N 3.316 112.040 108.800 -0.127 0.000 2.505 677 G HA2 -0.351 3.602 3.960 -0.013 0.000 0.220 677 G HA3 -0.351 3.602 3.960 -0.013 0.000 0.220 677 G C 1.474 176.423 174.900 0.081 0.000 1.145 677 G CA 1.392 46.444 45.100 -0.082 0.000 0.761 677 G HN 0.854 nan 8.290 nan 0.000 0.571 678 N N -0.094 118.640 118.700 0.056 0.000 2.091 678 N HA -0.124 4.608 4.740 -0.013 0.000 0.193 678 N C 1.460 176.976 175.510 0.010 0.000 1.021 678 N CA 0.757 53.840 53.050 0.055 0.000 0.862 678 N CB -0.344 38.130 38.487 -0.023 0.000 1.018 678 N HN 0.360 nan 8.380 nan 0.000 0.429 682 M N 0.262 119.946 119.600 0.139 0.000 2.117 682 M HA -0.143 4.329 4.480 -0.013 0.000 0.262 682 M C 1.984 178.335 176.300 0.085 0.000 1.065 682 M CA 1.809 57.162 55.300 0.087 0.000 1.114 682 M CB -0.070 32.572 32.600 0.070 0.000 1.361 682 M HN 0.311 nan 8.290 nan 0.000 0.408 683 L N 0.774 122.044 121.223 0.079 0.000 2.275 683 L HA -0.086 4.246 4.340 -0.013 0.000 0.215 683 L C 1.322 178.235 176.870 0.071 0.000 1.119 683 L CA 1.617 56.510 54.840 0.088 0.000 0.790 683 L CB -0.601 41.520 42.059 0.102 0.000 0.919 683 L HN 0.353 nan 8.230 nan 0.000 0.443 684 N N -0.358 118.375 118.700 0.057 0.000 2.214 684 N HA 0.178 4.910 4.740 -0.013 0.000 0.214 684 N C 0.808 176.354 175.510 0.060 0.000 1.132 684 N CA 0.783 53.860 53.050 0.046 0.000 0.856 684 N CB 0.624 39.117 38.487 0.009 0.000 1.020 684 N HN 0.379 nan 8.380 nan 0.000 0.509 685 G N 0.629 109.470 108.800 0.068 0.000 2.165 685 G HA2 -0.185 3.767 3.960 -0.013 0.000 0.226 685 G HA3 -0.185 3.767 3.960 -0.013 0.000 0.226 685 G C -0.052 174.913 174.900 0.110 0.000 1.035 685 G CA 0.126 45.265 45.100 0.065 0.000 0.744 685 G HN 0.508 nan 8.290 nan 0.000 0.501 686 A N -0.305 122.591 122.820 0.127 0.000 2.325 686 A HA 0.886 5.199 4.320 -0.013 0.000 0.333 686 A C 0.420 178.008 177.584 0.008 0.000 1.155 686 A CA -0.652 51.476 52.037 0.152 0.000 0.814 686 A CB 1.041 20.191 19.000 0.249 0.000 1.206 686 A HN 0.727 nan 8.150 nan 0.000 0.482 687 L N 0.801 121.986 121.223 -0.063 0.000 2.421 687 L HA 0.435 4.767 4.340 -0.013 0.000 0.263 687 L C 0.188 176.936 176.870 -0.202 0.000 1.122 687 L CA -0.303 54.409 54.840 -0.213 0.000 0.804 687 L CB 1.377 43.223 42.059 -0.354 0.000 1.150 687 L HN 0.685 nan 8.230 nan 0.000 0.457 688 T N 2.711 117.022 114.554 -0.405 0.000 2.779 688 T HA 0.441 4.783 4.350 -0.013 0.000 0.280 688 T C -0.361 174.148 174.700 -0.319 0.000 0.987 688 T CA -0.255 61.550 62.100 -0.491 0.000 0.966 688 T CB 1.403 69.769 68.868 -0.837 0.000 0.933 688 T HN 0.347 nan 8.240 nan 0.000 0.442 689 I N 3.185 123.697 120.570 -0.097 0.000 2.321 689 I HA 0.694 4.856 4.170 -0.013 0.000 0.291 689 I C 0.173 176.432 176.117 0.237 0.000 0.998 689 I CA 0.150 61.520 61.300 0.116 0.000 1.227 689 I CB 0.228 38.242 38.000 0.024 0.000 1.368 689 I HN 0.770 nan 8.210 nan 0.000 0.466 690 G N 4.005 113.041 108.800 0.393 0.000 2.646 690 G HA2 0.463 4.415 3.960 -0.013 0.000 0.291 690 G HA3 0.463 4.415 3.960 -0.013 0.000 0.291 690 G C -0.899 173.968 174.900 -0.056 0.000 1.445 690 G CA -0.472 44.779 45.100 0.251 0.000 0.814 690 G HN 0.579 nan 8.290 nan 0.000 0.495 691 T N -1.140 113.229 114.554 -0.309 0.000 2.849 691 T HA 0.482 4.824 4.350 -0.013 0.000 0.284 691 T C 0.776 175.366 174.700 -0.184 0.000 1.004 691 T CA -0.689 61.145 62.100 -0.444 0.000 1.021 691 T CB 1.089 69.706 68.868 -0.418 0.000 1.013 691 T HN 0.255 nan 8.240 nan 0.000 0.527 692 M N 2.922 122.420 119.600 -0.171 0.000 3.442 692 M HA 0.309 4.781 4.480 -0.013 0.000 0.232 692 M C -0.405 175.839 176.300 -0.093 0.000 1.508 692 M CA -0.008 55.223 55.300 -0.116 0.000 1.647 692 M CB -1.850 30.689 32.600 -0.102 0.000 1.126 692 M HN 0.730 nan 8.290 nan 0.000 0.557 693 D N 0.005 120.358 120.400 -0.078 0.000 2.671 693 D HA 0.664 5.296 4.640 -0.013 0.000 0.232 693 D C 0.734 177.013 176.300 -0.036 0.000 1.114 693 D CA 0.727 54.697 54.000 -0.050 0.000 0.858 693 D CB 1.713 42.487 40.800 -0.044 0.000 1.544 693 D HN 0.598 nan 8.370 nan 0.000 0.471 694 G N 1.937 110.726 108.800 -0.018 0.000 2.652 694 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.318 694 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.318 694 G C 1.073 175.965 174.900 -0.014 0.000 1.295 694 G CA 1.218 46.311 45.100 -0.011 0.000 0.999 694 G HN 1.074 nan 8.290 nan 0.000 0.548 695 A N -0.333 122.473 122.820 -0.024 0.000 2.167 695 A HA 0.097 4.409 4.320 -0.013 0.000 0.214 695 A C 2.118 179.633 177.584 -0.115 0.000 1.151 695 A CA 1.841 53.855 52.037 -0.039 0.000 0.735 695 A CB -0.446 18.514 19.000 -0.066 0.000 0.802 695 A HN 0.628 nan 8.150 nan 0.000 0.467 696 N N 0.613 119.254 118.700 -0.098 0.000 2.137 696 N HA -0.162 4.570 4.740 -0.013 0.000 0.190 696 N C 1.599 176.951 175.510 -0.262 0.000 1.017 696 N CA 1.637 54.614 53.050 -0.121 0.000 0.859 696 N CB -0.671 37.803 38.487 -0.022 0.000 1.002 696 N HN 0.289 nan 8.380 nan 0.000 0.428 697 V N 1.272 121.087 119.914 -0.164 0.000 2.287 697 V HA -0.225 3.888 4.120 -0.013 0.000 0.248 697 V C 2.000 178.012 176.094 -0.137 0.000 1.053 697 V CA 1.738 63.944 62.300 -0.158 0.000 1.027 697 V CB -0.505 31.268 31.823 -0.083 0.000 0.646 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.633 119.546 120.200 -0.034 0.000 2.152 698 E HA -0.138 4.205 4.350 -0.013 0.000 0.192 698 E C 2.223 178.941 176.600 0.197 0.000 0.983 698 E CA 1.071 57.534 56.400 0.105 0.000 0.818 698 E CB -0.189 29.662 29.700 0.250 0.000 0.758 698 E HN 0.543 nan 8.360 nan 0.000 0.467 699 M N 0.513 120.119 119.600 0.009 0.000 2.086 699 M HA -0.157 4.315 4.480 -0.013 0.000 0.261 699 M C 2.523 178.674 176.300 -0.248 0.000 1.067 699 M CA 1.587 56.840 55.300 -0.078 0.000 1.116 699 M CB -0.245 32.199 32.600 -0.260 0.000 1.348 699 M HN 0.141 nan 8.290 nan 0.000 0.407 700 A N -0.118 122.252 122.820 -0.749 0.000 1.933 700 A HA -0.226 4.086 4.320 -0.013 0.000 0.218 700 A C 1.992 179.415 177.584 -0.269 0.000 1.175 700 A CA 2.015 53.582 52.037 -0.783 0.000 0.628 700 A CB -0.825 17.637 19.000 -0.898 0.000 0.814 700 A HN 0.600 nan 8.150 nan 0.000 0.444 701 E N -0.453 119.644 120.200 -0.171 0.000 2.072 701 E HA -0.208 4.134 4.350 -0.013 0.000 0.191 701 E C 1.800 178.384 176.600 -0.026 0.000 0.985 701 E CA 1.212 57.567 56.400 -0.075 0.000 0.801 701 E CB -0.069 29.601 29.700 -0.049 0.000 0.750 701 E HN 0.553 nan 8.360 nan 0.000 0.452 702 E N 0.188 120.403 120.200 0.026 0.000 2.047 702 E HA -0.139 4.204 4.350 -0.013 0.000 0.191 702 E C 1.893 178.523 176.600 0.051 0.000 0.987 702 E CA 1.167 57.598 56.400 0.052 0.000 0.799 702 E CB -0.231 29.547 29.700 0.130 0.000 0.752 702 E HN 0.363 nan 8.360 nan 0.000 0.449 703 A N 0.409 123.270 122.820 0.069 0.000 2.021 703 A HA 0.307 4.619 4.320 -0.013 0.000 0.216 703 A C 1.087 178.692 177.584 0.034 0.000 1.163 703 A CA 1.169 53.252 52.037 0.077 0.000 0.676 703 A CB -0.095 18.999 19.000 0.156 0.000 0.818 703 A HN 0.271 nan 8.150 nan 0.000 0.453 704 G N -0.680 108.121 108.800 0.001 0.000 3.055 704 G HA2 -0.096 3.856 3.960 -0.013 0.000 0.686 704 G HA3 -0.096 3.856 3.960 -0.013 0.000 0.686 704 G C -0.028 174.861 174.900 -0.017 0.000 1.087 704 G CA 0.007 45.097 45.100 -0.017 0.000 0.779 704 G HN 0.249 nan 8.290 nan 0.000 0.599 705 E N 0.928 121.104 120.200 -0.039 0.000 2.209 705 E HA -0.156 4.186 4.350 -0.013 0.000 0.196 705 E C 2.042 178.631 176.600 -0.019 0.000 0.993 705 E CA 1.702 58.084 56.400 -0.030 0.000 0.819 705 E CB 0.087 29.764 29.700 -0.039 0.000 0.745 705 E HN 0.771 nan 8.360 nan 0.000 0.477 706 E N 0.719 120.895 120.200 -0.041 0.000 2.268 706 E HA -0.098 4.245 4.350 -0.013 0.000 0.195 706 E C 1.001 177.513 176.600 -0.146 0.000 0.995 706 E CA 0.678 57.032 56.400 -0.077 0.000 0.836 706 E CB -0.008 29.658 29.700 -0.056 0.000 0.763 706 E HN 0.144 nan 8.360 nan 0.000 0.491 707 N N -0.416 118.225 118.700 -0.099 0.000 2.251 707 N HA 0.149 4.882 4.740 -0.013 0.000 0.217 707 N C -0.985 174.435 175.510 -0.151 0.000 1.124 707 N CA 0.058 53.019 53.050 -0.148 0.000 0.843 707 N CB 0.414 38.867 38.487 -0.057 0.000 1.024 707 N HN 0.051 nan 8.380 nan 0.000 0.501 708 F N -0.322 119.414 119.950 -0.356 0.000 2.576 708 F HA 0.405 4.924 4.527 -0.014 0.000 0.313 708 F C -0.895 174.682 175.800 -0.371 0.000 1.078 708 F CA -1.089 56.742 58.000 -0.281 0.000 0.921 708 F CB 1.360 40.286 39.000 -0.124 0.000 1.232 708 F HN -0.221 nan 8.300 nan 0.000 0.459 709 F N 5.693 125.627 119.950 -0.027 0.000 2.359 709 F HA 0.424 4.943 4.527 -0.013 0.000 0.355 709 F C -0.134 175.809 175.800 0.239 0.000 1.132 709 F CA -0.419 57.620 58.000 0.065 0.000 1.246 709 F CB -0.056 38.921 39.000 -0.037 0.000 1.569 709 F HN 0.079 nan 8.300 nan 0.000 0.561 710 I N 3.746 124.548 120.570 0.387 0.000 2.428 710 I HA 0.378 4.540 4.170 -0.013 0.000 0.289 710 I C -0.222 176.103 176.117 0.346 0.000 1.019 710 I CA -0.578 60.917 61.300 0.325 0.000 1.351 710 I CB 0.806 38.912 38.000 0.177 0.000 1.412 710 I HN 0.337 nan 8.210 nan 0.000 0.513 711 F N 3.392 123.418 119.950 0.127 0.000 2.685 711 F HA 0.920 5.439 4.527 -0.013 0.000 0.315 711 F C -0.022 175.823 175.800 0.075 0.000 1.126 711 F CA -0.585 57.476 58.000 0.101 0.000 0.950 711 F CB 0.952 40.025 39.000 0.122 0.000 1.360 711 F HN 0.791 nan 8.300 nan 0.000 0.469 712 G N 1.033 109.899 108.800 0.110 0.000 2.728 712 G HA2 -0.073 3.880 3.960 -0.013 0.000 0.294 712 G HA3 -0.073 3.880 3.960 -0.013 0.000 0.294 712 G C -0.911 173.961 174.900 -0.047 0.000 1.342 712 G CA -0.622 44.477 45.100 -0.001 0.000 0.866 712 G HN 0.958 nan 8.290 nan 0.000 0.534 713 M N 0.867 120.448 119.600 -0.032 0.000 2.249 713 M HA 0.234 4.706 4.480 -0.013 0.000 0.340 713 M C 1.203 177.468 176.300 -0.059 0.000 1.166 713 M CA 0.008 55.297 55.300 -0.019 0.000 1.115 713 M CB 0.323 32.920 32.600 -0.004 0.000 1.606 713 M HN 0.518 nan 8.290 nan 0.000 0.448 714 R N 1.689 122.168 120.500 -0.035 0.000 2.546 714 R HA 0.245 4.577 4.340 -0.013 0.000 0.266 714 R C 1.216 177.497 176.300 -0.032 0.000 1.086 714 R CA -0.547 55.528 56.100 -0.043 0.000 1.160 714 R CB -0.044 30.238 30.300 -0.030 0.000 1.138 714 R HN 0.581 nan 8.270 nan 0.000 0.567 715 V N 1.560 121.454 119.914 -0.033 0.000 2.317 715 V HA -0.296 3.816 4.120 -0.013 0.000 0.251 715 V C 1.883 177.966 176.094 -0.018 0.000 1.065 715 V CA 2.137 64.422 62.300 -0.026 0.000 1.049 715 V CB -0.476 31.330 31.823 -0.028 0.000 0.651 715 V HN 0.641 nan 8.190 nan 0.000 0.450 716 E N 0.049 120.241 120.200 -0.014 0.000 2.110 716 E HA -0.181 4.161 4.350 -0.013 0.000 0.193 716 E C 1.957 178.561 176.600 0.006 0.000 0.988 716 E CA 1.368 57.765 56.400 -0.006 0.000 0.804 716 E CB -0.346 29.351 29.700 -0.005 0.000 0.745 716 E HN 0.636 nan 8.360 nan 0.000 0.458 717 D N -0.176 120.230 120.400 0.009 0.000 2.144 717 D HA -0.093 4.539 4.640 -0.013 0.000 0.200 717 D C 1.972 178.289 176.300 0.028 0.000 0.978 717 D CA 0.761 54.777 54.000 0.026 0.000 0.833 717 D CB -0.086 40.733 40.800 0.032 0.000 0.961 717 D HN 0.066 nan 8.370 nan 0.000 0.470 718 V N 1.867 121.785 119.914 0.006 0.000 2.295 718 V HA -0.213 3.899 4.120 -0.013 0.000 0.246 718 V C 1.948 178.043 176.094 0.001 0.000 1.049 718 V CA 1.704 64.000 62.300 -0.006 0.000 1.024 718 V CB -0.415 31.394 31.823 -0.024 0.000 0.648 718 V HN 0.023 nan 8.190 nan 0.000 0.447 719 D N -0.060 120.341 120.400 0.001 0.000 2.097 719 D HA -0.151 4.481 4.640 -0.013 0.000 0.195 719 D C 2.401 178.712 176.300 0.019 0.000 0.989 719 D CA 1.248 55.251 54.000 0.004 0.000 0.827 719 D CB -0.293 40.505 40.800 -0.003 0.000 0.966 719 D HN 0.349 nan 8.370 nan 0.000 0.456 720 R N 0.141 120.657 120.500 0.027 0.000 2.083 720 R HA -0.065 4.268 4.340 -0.013 0.000 0.237 720 R C 2.502 178.838 176.300 0.060 0.000 1.137 720 R CA 0.645 56.769 56.100 0.040 0.000 0.951 720 R CB -0.441 29.885 30.300 0.044 0.000 0.851 720 R HN 0.204 nan 8.270 nan 0.000 0.434 721 L N 0.621 121.889 121.223 0.076 0.000 2.083 721 L HA -0.208 4.125 4.340 -0.013 0.000 0.209 721 L C 1.480 178.419 176.870 0.114 0.000 1.083 721 L CA 1.354 56.267 54.840 0.121 0.000 0.752 721 L CB -0.282 41.866 42.059 0.147 0.000 0.899 721 L HN 0.250 nan 8.230 nan 0.000 0.433 722 D N -0.544 119.896 120.400 0.067 0.000 2.144 722 D HA -0.200 4.432 4.640 -0.013 0.000 0.200 722 D C 2.212 178.544 176.300 0.052 0.000 0.978 722 D CA 1.086 55.118 54.000 0.053 0.000 0.833 722 D CB 0.004 40.813 40.800 0.016 0.000 0.961 722 D HN 0.437 nan 8.370 nan 0.000 0.470 723 Q N 0.042 119.868 119.800 0.044 0.000 2.079 723 Q HA -0.068 4.264 4.340 -0.013 0.000 0.200 723 Q C 2.255 178.282 176.000 0.045 0.000 0.974 723 Q CA 0.856 56.681 55.803 0.037 0.000 0.840 723 Q CB 0.057 28.813 28.738 0.030 0.000 0.898 723 Q HN 0.125 nan 8.270 nan 0.000 0.430 724 R N -0.422 120.113 120.500 0.058 0.000 2.090 724 R HA 0.001 4.333 4.340 -0.013 0.000 0.228 724 R C -0.010 176.331 176.300 0.068 0.000 1.110 724 R CA 0.860 56.996 56.100 0.061 0.000 0.973 724 R CB 0.205 30.549 30.300 0.073 0.000 0.869 724 R HN 0.301 nan 8.270 nan 0.000 0.440 725 G N -0.343 108.512 108.800 0.092 0.000 3.355 725 G HA2 -0.257 3.695 3.960 -0.013 0.000 0.686 725 G HA3 -0.257 3.695 3.960 -0.013 0.000 0.686 725 G C -1.358 173.638 174.900 0.160 0.000 1.097 725 G CA -0.517 44.646 45.100 0.106 0.000 0.881 725 G HN 0.258 nan 8.290 nan 0.000 0.550 726 Y N 3.654 123.991 120.300 0.060 0.000 2.436 726 Y HA 0.510 5.052 4.550 -0.013 0.000 0.343 726 Y C 0.570 176.531 175.900 0.101 0.000 1.008 726 Y CA -0.564 57.591 58.100 0.092 0.000 1.241 726 Y CB 0.780 39.276 38.460 0.059 0.000 1.153 726 Y HN 0.581 nan 8.280 nan 0.000 0.521 727 N N 5.148 123.645 118.700 -0.339 0.000 2.564 727 N HA 0.349 5.081 4.740 -0.013 0.000 0.248 727 N C 0.214 175.486 175.510 -0.396 0.000 0.986 727 N CA 0.180 53.041 53.050 -0.316 0.000 0.921 727 N CB 1.154 39.575 38.487 -0.110 0.000 1.136 727 N HN 0.872 nan 8.380 nan 0.000 0.509 728 A N 2.923 125.419 122.820 -0.540 0.000 1.969 728 A HA -0.198 4.115 4.320 -0.013 0.000 0.218 728 A C 2.003 179.722 177.584 0.226 0.000 1.169 728 A CA 1.182 53.115 52.037 -0.173 0.000 0.635 728 A CB -0.337 18.453 19.000 -0.351 0.000 0.810 728 A HN 0.762 nan 8.150 nan 0.000 0.445 729 Q N 0.331 120.158 119.800 0.044 0.000 2.135 729 Q HA -0.235 4.097 4.340 -0.013 0.000 0.204 729 Q C 1.882 177.963 176.000 0.135 0.000 0.981 729 Q CA 2.273 58.124 55.803 0.081 0.000 0.856 729 Q CB -0.362 28.375 28.738 -0.000 0.000 0.902 729 Q HN 0.773 nan 8.270 nan 0.000 0.425 730 E N -1.351 118.866 120.200 0.029 0.000 2.070 730 E HA -0.255 4.087 4.350 -0.013 0.000 0.197 730 E C 1.588 178.124 176.600 -0.108 0.000 1.004 730 E CA 1.595 57.936 56.400 -0.098 0.000 0.805 730 E CB -0.245 29.291 29.700 -0.273 0.000 0.744 730 E HN 0.595 nan 8.360 nan 0.000 0.451 731 Y N -1.066 119.308 120.300 0.122 0.000 2.163 731 Y HA -0.214 4.328 4.550 -0.013 0.000 0.288 731 Y C 2.273 178.179 175.900 0.010 0.000 1.136 731 Y CA 1.553 59.713 58.100 0.099 0.000 1.147 731 Y CB -0.762 37.813 38.460 0.192 0.000 0.987 731 Y HN 0.229 nan 8.280 nan 0.000 0.509 732 Y N 1.392 121.735 120.300 0.071 0.000 2.151 732 Y HA -0.294 4.249 4.550 -0.013 0.000 0.284 732 Y C 1.793 177.669 175.900 -0.040 0.000 1.166 732 Y CA 1.911 59.977 58.100 -0.057 0.000 1.163 732 Y CB -0.415 38.072 38.460 0.045 0.000 0.974 732 Y HN 0.099 nan 8.280 nan 0.000 0.511 733 D N -0.470 120.035 120.400 0.175 0.000 2.183 733 D HA -0.084 4.548 4.640 -0.013 0.000 0.203 733 D C 1.864 178.147 176.300 -0.028 0.000 0.969 733 D CA 1.228 55.273 54.000 0.076 0.000 0.842 733 D CB -0.083 40.774 40.800 0.094 0.000 0.957 733 D HN 0.480 nan 8.370 nan 0.000 0.484 734 R N -0.307 120.174 120.500 -0.031 0.000 2.308 734 R HA 0.291 4.623 4.340 -0.013 0.000 0.202 734 R C 0.308 176.591 176.300 -0.029 0.000 0.898 734 R CA 0.061 56.141 56.100 -0.033 0.000 1.046 734 R CB 1.168 31.446 30.300 -0.038 0.000 1.026 734 R HN 0.136 nan 8.270 nan 0.000 0.512 735 I N 2.257 122.793 120.570 -0.056 0.000 2.405 735 I HA 0.230 4.392 4.170 -0.013 0.000 0.280 735 I C -1.956 174.072 176.117 -0.148 0.000 1.027 735 I CA -2.355 58.913 61.300 -0.053 0.000 1.161 735 I CB 2.049 40.053 38.000 0.007 0.000 1.300 735 I HN -0.288 nan 8.210 nan 0.000 0.463 736 P HA -0.150 nan 4.420 nan 0.000 0.216 736 P C 1.182 178.388 177.300 -0.155 0.000 1.150 736 P CA 1.331 64.343 63.100 -0.147 0.000 0.837 736 P CB 0.314 31.960 31.700 -0.090 0.000 0.786 737 E N -1.010 119.134 120.200 -0.093 0.000 2.150 737 E HA -0.149 4.193 4.350 -0.013 0.000 0.193 737 E C 1.853 178.353 176.600 -0.166 0.000 0.985 737 E CA 0.604 56.963 56.400 -0.068 0.000 0.814 737 E CB -0.553 29.176 29.700 0.049 0.000 0.752 737 E HN 0.120 nan 8.360 nan 0.000 0.466 738 L N 1.129 122.165 121.223 -0.312 0.000 2.056 738 L HA -0.124 4.208 4.340 -0.013 0.000 0.207 738 L C 2.363 178.962 176.870 -0.452 0.000 1.078 738 L CA 1.559 56.051 54.840 -0.581 0.000 0.749 738 L CB -0.228 41.342 42.059 -0.816 0.000 0.901 738 L HN -0.089 nan 8.230 nan 0.000 0.433 739 R N -0.821 119.391 120.500 -0.481 0.000 2.083 739 R HA -0.253 4.079 4.340 -0.013 0.000 0.237 739 R C 2.402 178.528 176.300 -0.290 0.000 1.137 739 R CA 2.066 57.796 56.100 -0.616 0.000 0.951 739 R CB -0.380 29.497 30.300 -0.706 0.000 0.851 739 R HN 0.592 nan 8.270 nan 0.000 0.434 740 Q N 0.452 120.123 119.800 -0.215 0.000 2.077 740 Q HA -0.214 4.118 4.340 -0.013 0.000 0.206 740 Q C 2.074 178.026 176.000 -0.080 0.000 0.989 740 Q CA 2.243 57.967 55.803 -0.132 0.000 0.853 740 Q CB -0.171 28.492 28.738 -0.125 0.000 0.907 740 Q HN 0.478 nan 8.270 nan 0.000 0.418 741 I N 0.556 121.077 120.570 -0.081 0.000 2.179 741 I HA -0.294 3.869 4.170 -0.013 0.000 0.242 741 I C 2.158 178.305 176.117 0.050 0.000 1.088 741 I CA 0.720 62.016 61.300 -0.007 0.000 1.357 741 I CB -0.342 37.622 38.000 -0.060 0.000 1.051 741 I HN 0.323 nan 8.210 nan 0.000 0.409 742 I N 0.794 121.387 120.570 0.039 0.000 2.286 742 I HA -0.240 3.923 4.170 -0.013 0.000 0.248 742 I C 2.449 178.674 176.117 0.179 0.000 1.115 742 I CA 1.623 63.019 61.300 0.160 0.000 1.392 742 I CB -1.308 36.883 38.000 0.317 0.000 1.065 742 I HN 0.348 nan 8.210 nan 0.000 0.418 743 E N 0.399 120.679 120.200 0.134 0.000 2.077 743 E HA -0.241 4.101 4.350 -0.013 0.000 0.193 743 E C 2.195 178.863 176.600 0.114 0.000 0.989 743 E CA 1.059 57.529 56.400 0.116 0.000 0.800 743 E CB -0.122 29.610 29.700 0.052 0.000 0.746 743 E HN 0.568 nan 8.360 nan 0.000 0.452 744 Q N 0.445 120.301 119.800 0.094 0.000 2.050 744 Q HA -0.154 4.178 4.340 -0.013 0.000 0.202 744 Q C 2.384 178.581 176.000 0.329 0.000 0.980 744 Q CA 1.095 56.981 55.803 0.138 0.000 0.840 744 Q CB -0.094 28.685 28.738 0.067 0.000 0.898 744 Q HN 0.301 nan 8.270 nan 0.000 0.424 745 L N -0.040 121.382 121.223 0.332 0.000 2.017 745 L HA -0.211 4.122 4.340 -0.013 0.000 0.208 745 L C 2.481 179.541 176.870 0.317 0.000 1.073 745 L CA 1.050 56.098 54.840 0.347 0.000 0.745 745 L CB -0.433 41.742 42.059 0.193 0.000 0.894 745 L HN 0.158 nan 8.230 nan 0.000 0.432 746 S N -0.227 115.613 115.700 0.233 0.000 2.355 746 S HA -0.160 4.302 4.470 -0.013 0.000 0.222 746 S C 2.114 176.819 174.600 0.174 0.000 1.031 746 S CA 1.578 59.892 58.200 0.191 0.000 0.993 746 S CB -0.250 63.044 63.200 0.155 0.000 0.859 746 S HN 0.611 nan 8.310 nan 0.000 0.453 747 S N 0.497 116.299 115.700 0.171 0.000 2.481 747 S HA 0.267 4.730 4.470 -0.013 0.000 0.231 747 S C 1.419 176.110 174.600 0.152 0.000 0.996 747 S CA 0.784 59.069 58.200 0.142 0.000 0.942 747 S CB -0.196 63.078 63.200 0.124 0.000 0.768 747 S HN 0.883 nan 8.310 nan 0.000 0.520 748 G N 0.540 109.463 108.800 0.205 0.000 2.141 748 G HA2 -0.256 3.696 3.960 -0.013 0.000 0.195 748 G HA3 -0.256 3.696 3.960 -0.013 0.000 0.195 748 G C 0.105 175.103 174.900 0.164 0.000 1.012 748 G CA 0.077 45.288 45.100 0.185 0.000 0.696 748 G HN 0.513 nan 8.290 nan 0.000 0.508 749 F N 0.089 120.053 119.950 0.023 0.000 2.171 749 F HA 0.224 4.743 4.527 -0.013 0.000 0.300 749 F C 1.875 177.490 175.800 -0.307 0.000 1.090 749 F CA 1.777 59.668 58.000 -0.181 0.000 1.293 749 F CB 0.002 38.815 39.000 -0.313 0.000 1.013 749 F HN 0.177 nan 8.300 nan 0.000 0.486 750 F N -0.194 119.848 119.950 0.154 0.000 2.727 750 F HA 0.196 4.715 4.527 -0.013 0.000 0.302 750 F C 0.581 176.466 175.800 0.141 0.000 1.097 750 F CA 0.195 58.242 58.000 0.078 0.000 1.330 750 F CB -0.071 39.003 39.000 0.123 0.000 1.084 750 F HN -0.038 nan 8.300 nan 0.000 0.578 751 S N -1.814 114.015 115.700 0.215 0.000 2.488 751 S HA 0.313 4.775 4.470 -0.013 0.000 0.151 751 S C -2.473 172.137 174.600 0.017 0.000 1.401 751 S CA -1.024 57.230 58.200 0.089 0.000 1.221 751 S CB 0.967 64.172 63.200 0.009 0.000 1.407 751 S HN -0.188 nan 8.310 nan 0.000 0.406 752 P HA -0.045 nan 4.420 nan 0.000 0.216 752 P C 0.960 178.248 177.300 -0.019 0.000 1.150 752 P CA 1.205 64.281 63.100 -0.040 0.000 0.837 752 P CB 0.107 31.760 31.700 -0.079 0.000 0.786 753 K N -1.397 118.991 120.400 -0.020 0.000 2.356 753 K HA 0.086 4.398 4.320 -0.013 0.000 0.195 753 K C 0.689 177.284 176.600 -0.009 0.000 1.037 753 K CA 0.509 56.788 56.287 -0.013 0.000 1.014 753 K CB 0.247 32.739 32.500 -0.013 0.000 0.815 753 K HN 0.228 nan 8.250 nan 0.000 0.507 754 Q N 0.208 119.999 119.800 -0.016 0.000 2.907 754 Q HA 0.157 4.489 4.340 -0.013 0.000 0.262 754 Q C -2.342 173.643 176.000 -0.026 0.000 0.997 754 Q CA -1.720 54.068 55.803 -0.025 0.000 0.797 754 Q CB 1.440 30.154 28.738 -0.041 0.000 1.228 754 Q HN -0.066 nan 8.270 nan 0.000 0.466 755 P HA -0.212 nan 4.420 nan 0.000 0.217 755 P C 0.638 177.966 177.300 0.047 0.000 1.148 755 P CA 1.422 64.544 63.100 0.037 0.000 0.828 755 P CB 0.210 31.934 31.700 0.041 0.000 0.783 756 D N -1.315 119.098 120.400 0.022 0.000 2.342 756 D HA -0.004 4.628 4.640 -0.013 0.000 0.221 756 D C 1.610 177.907 176.300 -0.006 0.000 1.101 756 D CA -0.235 53.786 54.000 0.036 0.000 0.837 756 D CB -0.692 40.131 40.800 0.039 0.000 0.938 756 D HN 0.027 nan 8.370 nan 0.000 0.508 757 L N -0.050 121.102 121.223 -0.119 0.000 2.043 757 L HA -0.073 4.259 4.340 -0.013 0.000 0.212 757 L C 1.275 177.955 176.870 -0.316 0.000 1.075 757 L CA 1.703 56.359 54.840 -0.306 0.000 0.752 757 L CB -0.599 41.082 42.059 -0.631 0.000 0.891 757 L HN -0.014 nan 8.230 nan 0.000 0.432 758 F N -0.594 119.412 119.950 0.093 0.000 2.660 758 F HA 0.118 4.637 4.527 -0.013 0.000 0.297 758 F C 1.872 177.723 175.800 0.085 0.000 1.132 758 F CA -0.099 57.945 58.000 0.073 0.000 1.372 758 F CB -0.343 38.687 39.000 0.051 0.000 1.003 758 F HN 0.120 nan 8.300 nan 0.000 0.524 759 K N -0.253 120.266 120.400 0.198 0.000 2.103 759 K HA -0.193 4.120 4.320 -0.013 0.000 0.207 759 K C 1.051 177.754 176.600 0.172 0.000 1.048 759 K CA 1.973 58.360 56.287 0.166 0.000 0.930 759 K CB -0.268 32.306 32.500 0.122 0.000 0.716 759 K HN 0.077 nan 8.250 nan 0.000 0.444 760 D N 1.293 121.808 120.400 0.193 0.000 2.117 760 D HA -0.102 4.531 4.640 -0.013 0.000 0.197 760 D C 2.061 178.465 176.300 0.172 0.000 0.987 760 D CA 1.261 55.389 54.000 0.213 0.000 0.829 760 D CB -0.134 40.839 40.800 0.288 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.460 761 I N 0.545 121.215 120.570 0.166 0.000 2.179 761 I HA -0.227 3.935 4.170 -0.013 0.000 0.242 761 I C 2.478 178.625 176.117 0.052 0.000 1.088 761 I CA 0.629 61.986 61.300 0.095 0.000 1.357 761 I CB -0.256 37.797 38.000 0.090 0.000 1.051 761 I HN -0.115 nan 8.210 nan 0.000 0.409 762 V N 1.150 121.122 119.914 0.096 0.000 2.287 762 V HA -0.316 3.796 4.120 -0.013 0.000 0.248 762 V C 2.253 178.351 176.094 0.007 0.000 1.053 762 V CA 2.453 64.796 62.300 0.072 0.000 1.027 762 V CB -1.007 30.887 31.823 0.118 0.000 0.646 762 V HN 0.473 nan 8.190 nan 0.000 0.447 763 N N -0.162 118.579 118.700 0.068 0.000 2.069 763 N HA -0.229 4.503 4.740 -0.013 0.000 0.191 763 N C 1.850 177.330 175.510 -0.049 0.000 1.031 763 N CA 1.960 55.084 53.050 0.124 0.000 0.852 763 N CB -0.299 38.324 38.487 0.226 0.000 1.018 763 N HN 0.344 nan 8.380 nan 0.000 0.423 764 M N -0.232 119.241 119.600 -0.211 0.000 2.067 764 M HA -0.119 4.353 4.480 -0.013 0.000 0.260 764 M C 1.462 177.476 176.300 -0.476 0.000 1.069 764 M CA 1.336 56.211 55.300 -0.709 0.000 1.117 764 M CB -0.684 31.691 32.600 -0.376 0.000 1.334 764 M HN 0.207 nan 8.290 nan 0.000 0.407 765 L N 0.681 121.716 121.223 -0.313 0.000 2.042 765 L HA -0.223 4.110 4.340 -0.013 0.000 0.210 765 L C 2.475 178.985 176.870 -0.599 0.000 1.076 765 L CA 1.690 56.266 54.840 -0.439 0.000 0.749 765 L CB -1.181 40.685 42.059 -0.321 0.000 0.893 765 L HN 0.358 nan 8.230 nan 0.000 0.432 766 M N -1.961 117.359 119.600 -0.467 0.000 2.288 766 M HA -0.068 4.404 4.480 -0.013 0.000 0.266 766 M C 1.838 177.748 176.300 -0.649 0.000 1.072 766 M CA 1.424 56.366 55.300 -0.596 0.000 1.132 766 M CB -0.754 31.391 32.600 -0.759 0.000 1.386 766 M HN 0.342 nan 8.290 nan 0.000 0.432 767 H N -2.148 116.856 119.070 -0.109 0.000 3.091 767 H HA 0.185 4.733 4.556 -0.013 0.000 0.249 767 H C 0.147 175.526 175.328 0.085 0.000 0.985 767 H CA 0.625 56.672 56.048 -0.001 0.000 1.177 767 H CB 0.235 30.041 29.762 0.074 0.000 1.456 767 H HN 0.572 nan 8.280 nan 0.000 0.467 768 H N -1.304 117.821 119.070 0.091 0.000 2.825 768 H HA 0.296 4.845 4.556 -0.013 0.000 0.226 768 H C -1.268 174.086 175.328 0.043 0.000 1.414 768 H CA -0.620 55.472 56.048 0.073 0.000 1.198 768 H CB -0.008 29.799 29.762 0.076 0.000 2.013 768 H HN -0.140 nan 8.280 nan 0.000 0.530 769 D N 1.414 121.803 120.400 -0.018 0.000 2.411 769 D HA 0.148 4.780 4.640 -0.013 0.000 0.225 769 D C 0.881 177.112 176.300 -0.115 0.000 1.156 769 D CA -0.490 53.480 54.000 -0.050 0.000 0.874 769 D CB 0.742 41.499 40.800 -0.073 0.000 1.034 769 D HN 0.503 nan 8.370 nan 0.000 0.502 770 R N 2.216 122.558 120.500 -0.264 0.000 2.241 770 R HA -0.072 4.260 4.340 -0.013 0.000 0.224 770 R C 0.555 176.348 176.300 -0.844 0.000 1.101 770 R CA 0.976 56.693 56.100 -0.638 0.000 0.995 770 R CB 0.065 29.758 30.300 -1.011 0.000 0.870 770 R HN 0.415 nan 8.270 nan 0.000 0.463 771 F N 0.064 119.960 119.950 -0.090 0.000 2.683 771 F HA 0.279 4.799 4.527 -0.013 0.000 0.306 771 F C 0.034 175.708 175.800 -0.210 0.000 1.102 771 F CA -0.710 57.227 58.000 -0.105 0.000 1.244 771 F CB 0.276 39.274 39.000 -0.002 0.000 1.029 771 F HN -0.257 nan 8.300 nan 0.000 0.545 772 K N -0.310 119.896 120.400 -0.324 0.000 3.148 772 K HA -0.178 4.134 4.320 -0.013 0.000 0.267 772 K C 0.996 177.489 176.600 -0.178 0.000 0.996 772 K CA 0.209 56.136 56.287 -0.601 0.000 0.737 772 K CB -1.846 30.234 32.500 -0.700 0.000 1.308 772 K HN 0.218 nan 8.250 nan 0.000 0.470 773 V N -0.048 119.841 119.914 -0.040 0.000 2.287 773 V HA -0.294 3.818 4.120 -0.013 0.000 0.248 773 V C 1.942 178.189 176.094 0.256 0.000 1.053 773 V CA 2.349 64.706 62.300 0.095 0.000 1.027 773 V CB -0.492 31.392 31.823 0.102 0.000 0.646 773 V HN 0.489 nan 8.190 nan 0.000 0.447 774 F N 0.160 120.111 119.950 0.002 0.000 2.171 774 F HA -0.186 4.334 4.527 -0.013 0.000 0.300 774 F C 2.521 178.110 175.800 -0.351 0.000 1.090 774 F CA 0.662 58.607 58.000 -0.092 0.000 1.293 774 F CB -0.372 38.587 39.000 -0.067 0.000 1.013 774 F HN 0.194 nan 8.300 nan 0.000 0.486 775 A N -0.459 122.194 122.820 -0.278 0.000 2.019 775 A HA -0.197 4.115 4.320 -0.013 0.000 0.219 775 A C 1.492 179.069 177.584 -0.012 0.000 1.164 775 A CA 1.896 53.688 52.037 -0.407 0.000 0.644 775 A CB -0.470 18.445 19.000 -0.142 0.000 0.805 775 A HN 0.233 nan 8.150 nan 0.000 0.449 776 D N -2.725 117.729 120.400 0.089 0.000 2.369 776 D HA 0.078 4.710 4.640 -0.013 0.000 0.211 776 D C 1.183 177.646 176.300 0.272 0.000 1.077 776 D CA 0.021 54.150 54.000 0.214 0.000 0.842 776 D CB -0.120 40.822 40.800 0.238 0.000 0.947 776 D HN 0.609 nan 8.370 nan 0.000 0.509 777 Y N 2.044 122.422 120.300 0.129 0.000 2.097 777 Y HA -0.206 4.337 4.550 -0.012 0.000 0.282 777 Y C 2.070 178.051 175.900 0.135 0.000 1.152 777 Y CA 1.828 60.013 58.100 0.141 0.000 1.136 777 Y CB 0.200 38.703 38.460 0.073 0.000 0.975 777 Y HN -0.108 nan 8.280 nan 0.000 0.498 778 E N 0.001 120.254 120.200 0.088 0.000 2.031 778 E HA -0.232 4.110 4.350 -0.013 0.000 0.193 778 E C 2.170 178.733 176.600 -0.061 0.000 0.994 778 E CA 1.515 57.900 56.400 -0.026 0.000 0.800 778 E CB -0.172 29.617 29.700 0.149 0.000 0.752 778 E HN 0.631 nan 8.360 nan 0.000 0.447 779 E N -0.131 120.111 120.200 0.069 0.000 2.110 779 E HA -0.206 4.136 4.350 -0.013 0.000 0.193 779 E C 1.933 178.524 176.600 -0.016 0.000 0.988 779 E CA 0.791 57.254 56.400 0.105 0.000 0.804 779 E CB -0.139 29.716 29.700 0.258 0.000 0.745 779 E HN 0.260 nan 8.360 nan 0.000 0.458 780 Y N 1.314 121.426 120.300 -0.313 0.000 2.114 780 Y HA -0.234 4.308 4.550 -0.013 0.000 0.284 780 Y C 2.182 177.693 175.900 -0.648 0.000 1.143 780 Y CA 1.040 58.638 58.100 -0.837 0.000 1.135 780 Y CB -0.584 37.446 38.460 -0.717 0.000 0.980 780 Y HN -0.209 nan 8.280 nan 0.000 0.499 781 V N 0.429 119.982 119.914 -0.602 0.000 2.343 781 V HA -0.319 3.793 4.120 -0.013 0.000 0.247 781 V C 2.381 178.244 176.094 -0.386 0.000 1.051 781 V CA 2.350 64.315 62.300 -0.559 0.000 1.036 781 V CB -0.653 30.857 31.823 -0.522 0.000 0.654 781 V HN 0.253 nan 8.190 nan 0.000 0.451 782 K N -0.768 119.471 120.400 -0.269 0.000 2.032 782 K HA -0.225 4.088 4.320 -0.013 0.000 0.209 782 K C 2.291 178.795 176.600 -0.160 0.000 1.048 782 K CA 1.980 58.174 56.287 -0.154 0.000 0.927 782 K CB -0.745 31.713 32.500 -0.070 0.000 0.712 782 K HN 0.557 nan 8.250 nan 0.000 0.441 783 C N 0.893 120.071 119.300 -0.204 0.000 2.429 783 C HA -0.087 4.365 4.460 -0.013 0.000 0.277 783 C C 2.524 177.325 174.990 -0.314 0.000 1.262 783 C CA 0.741 59.666 59.018 -0.156 0.000 1.733 783 C CB -0.725 26.944 27.740 -0.117 0.000 2.010 783 C HN 0.476 nan 8.230 nan 0.000 0.483 784 Q N 0.470 119.945 119.800 -0.542 0.000 2.181 784 Q HA -0.183 4.149 4.340 -0.013 0.000 0.205 784 Q C 1.982 177.778 176.000 -0.340 0.000 0.980 784 Q CA 1.672 57.113 55.803 -0.603 0.000 0.862 784 Q CB -0.404 27.731 28.738 -1.005 0.000 0.905 784 Q HN 0.762 nan 8.270 nan 0.000 0.429 785 E N 0.160 120.221 120.200 -0.231 0.000 2.106 785 E HA -0.136 4.207 4.350 -0.013 0.000 0.192 785 E C 2.075 178.630 176.600 -0.076 0.000 0.984 785 E CA 0.574 56.901 56.400 -0.120 0.000 0.806 785 E CB -0.023 29.628 29.700 -0.083 0.000 0.750 785 E HN 0.269 nan 8.360 nan 0.000 0.458 786 R N 0.453 120.914 120.500 -0.064 0.000 2.115 786 R HA -0.081 4.251 4.340 -0.013 0.000 0.230 786 R C 2.399 178.705 176.300 0.010 0.000 1.111 786 R CA 0.833 56.964 56.100 0.052 0.000 0.976 786 R CB -0.275 30.133 30.300 0.179 0.000 0.870 786 R HN 0.068 nan 8.270 nan 0.000 0.445 787 V N 0.603 120.307 119.914 -0.350 0.000 2.261 787 V HA -0.240 3.873 4.120 -0.013 0.000 0.246 787 V C 2.190 178.267 176.094 -0.029 0.000 1.047 787 V CA 1.997 63.993 62.300 -0.506 0.000 1.015 787 V CB -0.397 31.007 31.823 -0.699 0.000 0.642 787 V HN 0.279 nan 8.190 nan 0.000 0.446 788 S N 0.169 115.820 115.700 -0.083 0.000 2.383 788 S HA -0.186 4.276 4.470 -0.013 0.000 0.229 788 S C 2.217 176.873 174.600 0.093 0.000 1.030 788 S CA 1.397 59.585 58.200 -0.020 0.000 1.002 788 S CB -0.536 62.625 63.200 -0.066 0.000 0.829 788 S HN 0.652 nan 8.310 nan 0.000 0.467 789 A N 1.557 124.435 122.820 0.097 0.000 1.883 789 A HA -0.049 4.263 4.320 -0.013 0.000 0.217 789 A C 2.113 179.815 177.584 0.198 0.000 1.186 789 A CA 1.228 53.346 52.037 0.134 0.000 0.624 789 A CB -0.805 18.265 19.000 0.116 0.000 0.822 789 A HN 0.457 nan 8.150 nan 0.000 0.444 790 L N -2.108 119.294 121.223 0.299 0.000 2.093 790 L HA -0.163 4.169 4.340 -0.013 0.000 0.208 790 L C 2.490 179.640 176.870 0.466 0.000 1.085 790 L CA 1.871 56.963 54.840 0.421 0.000 0.755 790 L CB -0.435 41.992 42.059 0.613 0.000 0.904 790 L HN 0.610 nan 8.230 nan 0.000 0.435 791 Y N 0.954 121.394 120.300 0.234 0.000 2.333 791 Y HA -0.246 4.297 4.550 -0.011 0.000 0.290 791 Y C 2.438 178.275 175.900 -0.105 0.000 1.144 791 Y CA 1.507 59.486 58.100 -0.201 0.000 1.228 791 Y CB -0.036 38.068 38.460 -0.595 0.000 0.985 791 Y HN 0.079 nan 8.280 nan 0.000 0.542 792 K N -0.209 120.246 120.400 0.092 0.000 2.360 792 K HA -0.154 4.158 4.320 -0.013 0.000 0.201 792 K C 0.385 176.978 176.600 -0.012 0.000 1.046 792 K CA 0.844 57.163 56.287 0.054 0.000 0.945 792 K CB -0.144 32.423 32.500 0.112 0.000 0.750 792 K HN 0.080 nan 8.250 nan 0.000 0.464 793 N N 0.599 119.308 118.700 0.015 0.000 2.816 793 N HA 0.127 4.859 4.740 -0.013 0.000 0.236 793 N C -2.409 173.107 175.510 0.010 0.000 1.076 793 N CA -2.269 50.792 53.050 0.018 0.000 0.902 793 N CB 1.293 39.820 38.487 0.067 0.000 1.149 793 N HN -0.201 nan 8.380 nan 0.000 0.506 794 P HA -0.154 nan 4.420 nan 0.000 0.216 794 P C 1.380 178.691 177.300 0.019 0.000 1.153 794 P CA 1.038 64.069 63.100 -0.114 0.000 0.858 794 P CB 0.406 32.013 31.700 -0.156 0.000 0.789 795 R N 0.116 120.627 120.500 0.019 0.000 2.073 795 R HA -0.148 4.184 4.340 -0.013 0.000 0.234 795 R C 1.909 178.250 176.300 0.068 0.000 1.134 795 R CA 1.414 57.536 56.100 0.036 0.000 0.952 795 R CB -0.355 29.958 30.300 0.022 0.000 0.850 795 R HN 0.080 nan 8.270 nan 0.000 0.433 796 E N -0.084 120.167 120.200 0.086 0.000 2.158 796 E HA -0.204 4.138 4.350 -0.013 0.000 0.191 796 E C 1.588 178.265 176.600 0.129 0.000 0.982 796 E CA 0.553 57.008 56.400 0.091 0.000 0.823 796 E CB -0.418 29.334 29.700 0.087 0.000 0.766 796 E HN 0.504 nan 8.360 nan 0.000 0.468 797 W N 2.201 123.500 121.300 -0.001 0.000 2.333 797 W HA -0.207 4.444 4.660 -0.014 0.000 0.316 797 W C 1.641 178.167 176.519 0.011 0.000 1.215 797 W CA 2.207 59.564 57.345 0.021 0.000 1.278 797 W CB -0.438 28.999 29.460 -0.038 0.000 1.154 797 W HN 0.036 nan 8.180 nan 0.000 0.486 798 T N 1.099 115.782 114.554 0.215 0.000 2.788 798 T HA -0.167 4.176 4.350 -0.013 0.000 0.268 798 T C 1.856 176.564 174.700 0.014 0.000 1.044 798 T CA 1.671 63.831 62.100 0.099 0.000 1.139 798 T CB -0.317 68.598 68.868 0.078 0.000 0.867 798 T HN 0.172 nan 8.240 nan 0.000 0.454 799 R N 0.469 120.984 120.500 0.025 0.000 2.081 799 R HA 0.062 4.395 4.340 -0.013 0.000 0.235 799 R C 2.527 178.818 176.300 -0.016 0.000 1.131 799 R CA 1.308 57.423 56.100 0.024 0.000 0.960 799 R CB -0.353 29.966 30.300 0.033 0.000 0.856 799 R HN 0.361 nan 8.270 nan 0.000 0.436 800 M N 0.503 120.058 119.600 -0.075 0.000 2.175 800 M HA -0.146 4.326 4.480 -0.013 0.000 0.264 800 M C 1.948 178.155 176.300 -0.155 0.000 1.063 800 M CA 1.378 56.596 55.300 -0.137 0.000 1.119 800 M CB 0.153 32.618 32.600 -0.225 0.000 1.377 800 M HN -0.004 nan 8.290 nan 0.000 0.415 801 V N 0.982 120.781 119.914 -0.191 0.000 2.255 801 V HA -0.326 3.787 4.120 -0.013 0.000 0.247 801 V C 2.211 178.286 176.094 -0.032 0.000 1.051 801 V CA 2.143 64.362 62.300 -0.135 0.000 1.018 801 V CB -0.630 31.131 31.823 -0.104 0.000 0.641 801 V HN 0.510 nan 8.190 nan 0.000 0.445 802 I N -0.608 119.968 120.570 0.010 0.000 2.264 802 I HA -0.283 3.880 4.170 -0.013 0.000 0.248 802 I C 2.695 178.862 176.117 0.083 0.000 1.111 802 I CA 1.653 63.012 61.300 0.097 0.000 1.382 802 I CB -0.421 37.695 38.000 0.194 0.000 1.060 802 I HN 0.210 nan 8.210 nan 0.000 0.418 803 R N 0.333 120.857 120.500 0.040 0.000 2.148 803 R HA -0.087 4.245 4.340 -0.013 0.000 0.227 803 R C 2.023 178.348 176.300 0.041 0.000 1.103 803 R CA 1.036 57.157 56.100 0.034 0.000 0.983 803 R CB -0.367 29.938 30.300 0.008 0.000 0.874 803 R HN 0.539 nan 8.270 nan 0.000 0.451 804 N N 0.682 119.399 118.700 0.027 0.000 2.109 804 N HA -0.091 4.641 4.740 -0.013 0.000 0.188 804 N C 1.962 177.522 175.510 0.082 0.000 1.034 804 N CA 1.117 54.202 53.050 0.057 0.000 0.846 804 N CB -0.045 38.450 38.487 0.013 0.000 1.010 804 N HN 0.117 nan 8.380 nan 0.000 0.425 805 I N 1.671 122.281 120.570 0.066 0.000 2.208 805 I HA -0.252 3.910 4.170 -0.013 0.000 0.245 805 I C 2.496 178.656 176.117 0.073 0.000 1.097 805 I CA 0.953 62.297 61.300 0.074 0.000 1.363 805 I CB -0.365 37.675 38.000 0.067 0.000 1.051 805 I HN 0.098 nan 8.210 nan 0.000 0.413 806 A N 0.398 123.261 122.820 0.071 0.000 2.019 806 A HA -0.180 4.133 4.320 -0.013 0.000 0.219 806 A C 2.122 179.737 177.584 0.052 0.000 1.164 806 A CA 2.162 54.231 52.037 0.053 0.000 0.644 806 A CB -0.894 18.139 19.000 0.056 0.000 0.805 806 A HN 0.547 nan 8.150 nan 0.000 0.449 807 T N -2.862 111.738 114.554 0.076 0.000 3.176 807 T HA 0.182 4.524 4.350 -0.013 0.000 0.263 807 T C 1.184 175.970 174.700 0.143 0.000 1.021 807 T CA 0.648 62.798 62.100 0.083 0.000 0.905 807 T CB -0.160 68.757 68.868 0.081 0.000 1.057 807 T HN 0.493 nan 8.240 nan 0.000 0.558 808 S N 0.257 116.057 115.700 0.167 0.000 2.562 808 S HA 0.219 4.681 4.470 -0.013 0.000 0.221 808 S C 2.222 176.948 174.600 0.209 0.000 0.975 808 S CA 0.302 58.672 58.200 0.283 0.000 0.918 808 S CB -0.708 62.628 63.200 0.226 0.000 0.772 808 S HN 0.532 nan 8.310 nan 0.000 0.531 809 G N 2.715 111.560 108.800 0.076 0.000 2.469 809 G HA2 -0.310 3.642 3.960 -0.013 0.000 0.219 809 G HA3 -0.310 3.642 3.960 -0.013 0.000 0.219 809 G C 1.321 176.172 174.900 -0.082 0.000 1.150 809 G CA 1.090 46.201 45.100 0.018 0.000 0.763 809 G HN 0.616 nan 8.290 nan 0.000 0.561 810 K N -0.170 120.062 120.400 -0.280 0.000 2.211 810 K HA -0.054 4.258 4.320 -0.013 0.000 0.204 810 K C 1.266 177.547 176.600 -0.532 0.000 1.047 810 K CA 0.891 56.868 56.287 -0.518 0.000 0.935 810 K CB -0.275 31.719 32.500 -0.844 0.000 0.728 810 K HN 0.422 nan 8.250 nan 0.000 0.452 811 F N 0.739 120.718 119.950 0.049 0.000 2.664 811 F HA 0.155 4.674 4.527 -0.014 0.000 0.301 811 F C 0.732 176.577 175.800 0.076 0.000 1.126 811 F CA -0.642 57.394 58.000 0.060 0.000 1.373 811 F CB 0.471 39.502 39.000 0.053 0.000 1.042 811 F HN -0.126 nan 8.300 nan 0.000 0.535 812 S N 0.417 116.205 115.700 0.146 0.000 2.531 812 S HA 0.050 4.512 4.470 -0.013 0.000 0.279 812 S C 1.466 176.150 174.600 0.140 0.000 1.305 812 S CA -0.153 58.126 58.200 0.133 0.000 1.058 812 S CB 0.747 63.994 63.200 0.078 0.000 0.899 812 S HN 0.374 nan 8.310 nan 0.000 0.493 813 S N 3.401 119.210 115.700 0.181 0.000 2.507 813 S HA -0.087 4.375 4.470 -0.013 0.000 0.235 813 S C 0.980 175.636 174.600 0.094 0.000 0.988 813 S CA 0.756 59.084 58.200 0.213 0.000 0.944 813 S CB -0.361 63.045 63.200 0.343 0.000 0.762 813 S HN 0.790 nan 8.310 nan 0.000 0.526 814 D N 2.019 122.459 120.400 0.066 0.000 2.117 814 D HA -0.102 4.531 4.640 -0.013 0.000 0.197 814 D C 2.099 178.405 176.300 0.011 0.000 0.987 814 D CA 0.895 54.911 54.000 0.027 0.000 0.829 814 D CB -0.358 40.455 40.800 0.021 0.000 0.961 814 D HN 0.289 nan 8.370 nan 0.000 0.460 815 R N 0.775 121.283 120.500 0.013 0.000 2.073 815 R HA -0.095 4.237 4.340 -0.013 0.000 0.234 815 R C 1.929 178.221 176.300 -0.012 0.000 1.134 815 R CA 1.495 57.589 56.100 -0.011 0.000 0.952 815 R CB -0.839 29.441 30.300 -0.034 0.000 0.850 815 R HN 0.138 nan 8.270 nan 0.000 0.433 816 T N 2.219 116.789 114.554 0.027 0.000 2.652 816 T HA -0.131 4.211 4.350 -0.013 0.000 0.267 816 T C 1.932 176.638 174.700 0.009 0.000 1.039 816 T CA 1.444 63.576 62.100 0.054 0.000 1.153 816 T CB -0.131 68.850 68.868 0.188 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.428 817 I N 1.619 122.124 120.570 -0.108 0.000 2.315 817 I HA -0.081 4.081 4.170 -0.013 0.000 0.248 817 I C 2.928 179.015 176.117 -0.050 0.000 1.117 817 I CA 0.961 62.167 61.300 -0.156 0.000 1.404 817 I CB -1.616 36.288 38.000 -0.160 0.000 1.071 817 I HN 0.196 nan 8.210 nan 0.000 0.419 818 A N 0.191 122.994 122.820 -0.029 0.000 1.940 818 A HA -0.238 4.074 4.320 -0.013 0.000 0.219 818 A C 2.248 179.794 177.584 -0.062 0.000 1.176 818 A CA 1.461 53.487 52.037 -0.019 0.000 0.631 818 A CB -0.533 18.459 19.000 -0.013 0.000 0.814 818 A HN 0.520 nan 8.150 nan 0.000 0.446 819 Q N -1.877 117.864 119.800 -0.098 0.000 2.083 819 Q HA -0.151 4.181 4.340 -0.013 0.000 0.198 819 Q C 1.930 177.756 176.000 -0.291 0.000 0.969 819 Q CA 1.558 57.260 55.803 -0.169 0.000 0.838 819 Q CB -0.311 28.317 28.738 -0.184 0.000 0.900 819 Q HN 0.814 nan 8.270 nan 0.000 0.436 820 Y N 0.740 120.753 120.300 -0.478 0.000 2.128 820 Y HA -0.310 4.232 4.550 -0.013 0.000 0.284 820 Y C 2.488 177.823 175.900 -0.941 0.000 1.154 820 Y CA 1.327 58.880 58.100 -0.911 0.000 1.149 820 Y CB -0.485 37.109 38.460 -1.444 0.000 0.976 820 Y HN 0.167 nan 8.280 nan 0.000 0.505 821 A N 0.296 122.914 122.820 -0.337 0.000 1.865 821 A HA -0.237 4.075 4.320 -0.013 0.000 0.217 821 A C 2.255 179.863 177.584 0.041 0.000 1.191 821 A CA 2.151 54.236 52.037 0.080 0.000 0.623 821 A CB -0.597 18.508 19.000 0.175 0.000 0.826 821 A HN 0.435 nan 8.150 nan 0.000 0.444 822 R N -0.764 119.717 120.500 -0.031 0.000 2.075 822 R HA -0.025 4.307 4.340 -0.013 0.000 0.226 822 R C 1.907 178.186 176.300 -0.036 0.000 1.114 822 R CA 1.462 57.553 56.100 -0.015 0.000 0.972 822 R CB -0.185 30.100 30.300 -0.025 0.000 0.869 822 R HN 0.664 nan 8.270 nan 0.000 0.437 823 E N -0.425 119.712 120.200 -0.105 0.000 2.364 823 E HA 0.078 4.420 4.350 -0.013 0.000 0.196 823 E C 1.479 178.028 176.600 -0.084 0.000 0.990 823 E CA 0.486 56.827 56.400 -0.099 0.000 0.886 823 E CB 0.508 30.121 29.700 -0.145 0.000 0.866 823 E HN 0.293 nan 8.360 nan 0.000 0.493 824 I N -1.126 119.356 120.570 -0.148 0.000 3.570 824 I HA 0.018 4.180 4.170 -0.013 0.000 0.270 824 I C 1.370 177.615 176.117 0.214 0.000 1.162 824 I CA -0.057 61.213 61.300 -0.050 0.000 1.413 824 I CB 0.241 38.068 38.000 -0.288 0.000 1.437 824 I HN 0.109 nan 8.210 nan 0.000 0.457 825 W N 1.447 122.841 121.300 0.157 0.000 2.658 825 W HA 0.326 4.978 4.660 -0.013 0.000 0.263 825 W C 1.489 178.048 176.519 0.067 0.000 1.274 825 W CA 0.823 58.244 57.345 0.126 0.000 1.343 825 W CB -1.056 28.466 29.460 0.104 0.000 1.106 825 W HN 0.308 nan 8.180 nan 0.000 0.615 826 G N 1.221 110.164 108.800 0.238 0.000 2.256 826 G HA2 -0.105 3.848 3.960 -0.013 0.000 0.272 826 G HA3 -0.105 3.848 3.960 -0.013 0.000 0.272 826 G C -0.334 174.641 174.900 0.125 0.000 1.076 826 G CA 0.242 45.422 45.100 0.134 0.000 0.882 826 G HN 0.415 nan 8.290 nan 0.000 0.497 827 V N -4.196 115.811 119.914 0.156 0.000 2.876 827 V HA 0.905 5.017 4.120 -0.013 0.000 0.312 827 V C -0.365 175.791 176.094 0.103 0.000 1.085 827 V CA -1.691 60.681 62.300 0.120 0.000 0.945 827 V CB 2.340 34.241 31.823 0.129 0.000 1.017 827 V HN 0.136 nan 8.190 nan 0.000 0.428 828 E N 3.941 124.183 120.200 0.071 0.000 2.174 828 E HA 0.504 4.846 4.350 -0.013 0.000 0.282 828 E C -2.468 174.169 176.600 0.062 0.000 0.992 828 E CA -1.737 54.698 56.400 0.059 0.000 0.803 828 E CB 1.749 31.474 29.700 0.043 0.000 1.090 828 E HN 0.745 nan 8.360 nan 0.000 0.396 829 P HA 0.059 nan 4.420 nan 0.000 0.270 829 P C -0.472 176.857 177.300 0.049 0.000 1.223 829 P CA -0.280 62.855 63.100 0.058 0.000 0.785 829 P CB 0.811 32.542 31.700 0.051 0.000 0.923 830 S N 0.714 116.444 115.700 0.050 0.000 2.619 830 S HA 0.310 4.772 4.470 -0.013 0.000 0.280 830 S C 0.456 175.081 174.600 0.042 0.000 1.150 830 S CA -0.770 57.457 58.200 0.046 0.000 0.978 830 S CB 1.003 64.237 63.200 0.057 0.000 1.041 830 S HN 0.263 nan 8.310 nan 0.000 0.485 831 R N 2.378 122.898 120.500 0.034 0.000 2.317 831 R HA 0.175 4.507 4.340 -0.013 0.000 0.208 831 R C 0.057 176.370 176.300 0.022 0.000 0.914 831 R CA 0.122 56.241 56.100 0.031 0.000 1.060 831 R CB 0.019 30.337 30.300 0.030 0.000 1.015 831 R HN 0.703 nan 8.270 nan 0.000 0.498 832 Q N 1.000 120.812 119.800 0.020 0.000 2.332 832 Q HA 0.100 4.432 4.340 -0.013 0.000 0.263 832 Q C -0.246 175.750 176.000 -0.007 0.000 0.979 832 Q CA 0.040 55.847 55.803 0.008 0.000 0.885 832 Q CB 0.851 29.598 28.738 0.014 0.000 1.218 832 Q HN -0.203 nan 8.270 nan 0.000 0.405 833 R N 1.527 122.013 120.500 -0.022 0.000 2.590 833 R HA 0.147 4.479 4.340 -0.013 0.000 0.274 833 R C -0.405 175.856 176.300 -0.064 0.000 1.061 833 R CA 0.139 56.213 56.100 -0.043 0.000 1.081 833 R CB 0.300 30.572 30.300 -0.046 0.000 0.984 833 R HN 0.495 nan 8.270 nan 0.000 0.448 834 L N 5.637 126.806 121.223 -0.091 0.000 2.395 834 L HA 0.356 4.688 4.340 -0.013 0.000 0.269 834 L C -1.676 175.133 176.870 -0.101 0.000 1.133 834 L CA -2.025 52.731 54.840 -0.140 0.000 0.812 834 L CB 1.060 43.003 42.059 -0.192 0.000 1.125 834 L HN 0.481 nan 8.230 nan 0.000 0.452 835 P HA 0.062 nan 4.420 nan 0.000 0.268 835 P C -0.710 176.557 177.300 -0.054 0.000 1.204 835 P CA -0.188 62.874 63.100 -0.064 0.000 0.768 835 P CB 0.853 32.520 31.700 -0.055 0.000 0.842 836 A N 0.000 122.797 122.820 -0.039 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 836 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486