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 3mrv_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 0.000 175.987 176.000 -0.022 0.000 1.003 12 Q CA 0.000 55.779 55.803 -0.041 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 13 I N -0.334 120.228 120.570 -0.014 0.000 2.460 13 I HA 0.648 4.809 4.170 -0.014 0.000 0.298 13 I C 0.974 177.094 176.117 0.005 0.000 0.989 13 I CA -0.468 60.831 61.300 -0.001 0.000 1.173 13 I CB 2.236 40.240 38.000 0.006 0.000 1.338 13 I HN 0.242 nan 8.210 nan 0.000 0.456 14 S N 3.542 119.250 115.700 0.014 0.000 2.368 14 S HA -0.144 4.317 4.470 -0.014 0.000 0.225 14 S C 1.746 176.358 174.600 0.021 0.000 1.030 14 S CA 1.923 60.133 58.200 0.016 0.000 0.999 14 S CB -0.470 62.744 63.200 0.023 0.000 0.844 14 S HN 0.768 nan 8.310 nan 0.000 0.459 15 V N 0.006 119.940 119.914 0.033 0.000 3.078 15 V HA 0.097 4.208 4.120 -0.014 0.000 0.265 15 V C 1.887 178.000 176.094 0.031 0.000 1.122 15 V CA 1.297 63.621 62.300 0.040 0.000 1.141 15 V CB -0.962 30.893 31.823 0.054 0.000 0.735 15 V HN 0.347 nan 8.190 nan 0.000 0.498 16 R N 1.275 121.784 120.500 0.016 0.000 2.313 16 R HA 0.408 4.739 4.340 -0.014 0.000 0.199 16 R C 1.143 177.437 176.300 -0.010 0.000 0.958 16 R CA 0.597 56.699 56.100 0.004 0.000 1.047 16 R CB -0.140 30.159 30.300 -0.003 0.000 0.955 16 R HN 0.788 nan 8.270 nan 0.000 0.481 17 G N 0.448 109.241 108.800 -0.010 0.000 2.710 17 G HA2 -0.199 3.752 3.960 -0.014 0.000 0.668 17 G HA3 -0.199 3.752 3.960 -0.014 0.000 0.668 17 G C -0.968 173.920 174.900 -0.021 0.000 1.320 17 G CA -1.119 43.966 45.100 -0.024 0.000 0.860 17 G HN -0.044 nan 8.290 nan 0.000 0.538 18 L N 0.417 121.626 121.223 -0.024 0.000 2.397 18 L HA 0.625 4.956 4.340 -0.014 0.000 0.271 18 L C 1.279 178.138 176.870 -0.018 0.000 1.148 18 L CA 0.608 55.438 54.840 -0.018 0.000 0.825 18 L CB 0.976 43.026 42.059 -0.016 0.000 1.117 18 L HN 1.571 nan 8.230 nan 0.000 0.456 19 A N 2.664 125.477 122.820 -0.012 0.000 3.047 19 A HA 0.593 4.904 4.320 -0.014 0.000 0.337 19 A C 0.627 178.210 177.584 -0.001 0.000 1.143 19 A CA -0.319 51.714 52.037 -0.008 0.000 0.905 19 A CB -0.186 18.809 19.000 -0.008 0.000 1.088 19 A HN 0.785 nan 8.150 nan 0.000 0.488 20 G N -0.342 108.458 108.800 -0.000 0.000 2.569 20 G HA2 0.377 4.329 3.960 -0.014 0.000 0.249 20 G HA3 0.377 4.329 3.960 -0.014 0.000 0.249 20 G C 1.017 175.923 174.900 0.011 0.000 1.216 20 G CA 0.024 45.127 45.100 0.005 0.000 0.845 20 G HN 0.449 nan 8.290 nan 0.000 0.568 21 V N 1.056 120.977 119.914 0.012 0.000 2.287 21 V HA -0.183 3.929 4.120 -0.014 0.000 0.248 21 V C 2.657 178.762 176.094 0.018 0.000 1.053 21 V CA 2.414 64.722 62.300 0.014 0.000 1.027 21 V CB -0.724 31.106 31.823 0.012 0.000 0.646 21 V HN 0.793 nan 8.190 nan 0.000 0.447 22 E N 0.426 120.637 120.200 0.019 0.000 2.077 22 E HA -0.187 4.155 4.350 -0.014 0.000 0.193 22 E C 2.078 178.699 176.600 0.036 0.000 0.989 22 E CA 1.451 57.866 56.400 0.025 0.000 0.800 22 E CB -0.242 29.471 29.700 0.023 0.000 0.746 22 E HN 0.591 nan 8.360 nan 0.000 0.452 23 N N -0.809 117.911 118.700 0.034 0.000 2.084 23 N HA -0.132 4.599 4.740 -0.014 0.000 0.190 23 N C 1.625 177.162 175.510 0.045 0.000 1.030 23 N CA 1.280 54.356 53.050 0.043 0.000 0.849 23 N CB -0.187 38.313 38.487 0.021 0.000 1.012 23 N HN 0.003 nan 8.380 nan 0.000 0.423 24 V N 0.249 120.181 119.914 0.030 0.000 2.343 24 V HA -0.221 3.891 4.120 -0.014 0.000 0.247 24 V C 2.051 178.165 176.094 0.034 0.000 1.051 24 V CA 1.873 64.189 62.300 0.028 0.000 1.036 24 V CB -0.959 30.876 31.823 0.020 0.000 0.654 24 V HN 0.398 nan 8.190 nan 0.000 0.451 25 T N -0.540 114.034 114.554 0.034 0.000 2.684 25 T HA -0.248 4.093 4.350 -0.014 0.000 0.267 25 T C 1.928 176.659 174.700 0.053 0.000 1.036 25 T CA 1.911 64.032 62.100 0.035 0.000 1.148 25 T CB -0.225 68.660 68.868 0.028 0.000 0.863 25 T HN 0.443 nan 8.240 nan 0.000 0.436 26 E N 0.930 121.169 120.200 0.065 0.000 2.051 26 E HA -0.028 4.314 4.350 -0.014 0.000 0.192 26 E C 2.103 178.778 176.600 0.125 0.000 0.991 26 E CA 0.948 57.400 56.400 0.087 0.000 0.799 26 E CB -0.563 29.195 29.700 0.096 0.000 0.748 26 E HN 0.434 nan 8.360 nan 0.000 0.449 27 L N 0.218 121.522 121.223 0.135 0.000 2.012 27 L HA -0.239 4.092 4.340 -0.014 0.000 0.210 27 L C 2.472 179.444 176.870 0.170 0.000 1.073 27 L CA 1.609 56.550 54.840 0.168 0.000 0.748 27 L CB -0.379 41.750 42.059 0.116 0.000 0.891 27 L HN 0.088 nan 8.230 nan 0.000 0.431 28 K N 0.360 120.821 120.400 0.101 0.000 2.032 28 K HA -0.222 4.089 4.320 -0.014 0.000 0.209 28 K C 2.148 178.841 176.600 0.155 0.000 1.048 28 K CA 1.886 58.223 56.287 0.084 0.000 0.927 28 K CB -0.106 32.408 32.500 0.024 0.000 0.712 28 K HN 0.391 nan 8.250 nan 0.000 0.441 29 K N 0.154 120.628 120.400 0.124 0.000 2.155 29 K HA -0.052 4.260 4.320 -0.014 0.000 0.203 29 K C 1.545 178.227 176.600 0.137 0.000 1.052 29 K CA 1.250 57.606 56.287 0.115 0.000 0.948 29 K CB -0.108 32.435 32.500 0.071 0.000 0.728 29 K HN 0.021 nan 8.250 nan 0.000 0.448 30 N N 0.548 119.342 118.700 0.158 0.000 2.270 30 N HA -0.111 4.621 4.740 -0.014 0.000 0.181 30 N C 1.609 177.267 175.510 0.247 0.000 1.016 30 N CA 0.944 54.084 53.050 0.151 0.000 0.870 30 N CB -0.240 38.351 38.487 0.172 0.000 0.979 30 N HN 0.218 nan 8.380 nan 0.000 0.431 31 F N 2.509 122.555 119.950 0.161 0.000 2.102 31 F HA -0.103 4.416 4.527 -0.014 0.000 0.298 31 F C 2.020 177.918 175.800 0.163 0.000 1.105 31 F CA 1.220 59.329 58.000 0.181 0.000 1.239 31 F CB -0.106 38.975 39.000 0.135 0.000 0.991 31 F HN -0.040 nan 8.300 nan 0.000 0.474 32 N N 0.519 119.452 118.700 0.387 0.000 2.166 32 N HA -0.189 4.543 4.740 -0.014 0.000 0.186 32 N C 2.005 177.597 175.510 0.136 0.000 1.019 32 N CA 1.161 54.357 53.050 0.243 0.000 0.856 32 N CB -0.560 38.044 38.487 0.194 0.000 0.993 32 N HN 0.372 nan 8.380 nan 0.000 0.426 33 R N 0.213 120.791 120.500 0.129 0.000 2.073 33 R HA -0.100 4.232 4.340 -0.014 0.000 0.234 33 R C 1.813 178.193 176.300 0.134 0.000 1.134 33 R CA 1.492 57.690 56.100 0.164 0.000 0.952 33 R CB -0.220 30.105 30.300 0.040 0.000 0.850 33 R HN 0.391 nan 8.270 nan 0.000 0.433 34 H N -0.389 118.721 119.070 0.068 0.000 2.389 34 H HA -0.121 4.426 4.556 -0.014 0.000 0.299 34 H C 1.905 177.155 175.328 -0.130 0.000 1.081 34 H CA 1.428 57.442 56.048 -0.056 0.000 1.345 34 H CB 0.066 29.750 29.762 -0.130 0.000 1.393 34 H HN 0.126 nan 8.280 nan 0.000 0.520 35 L N 0.017 121.210 121.223 -0.050 0.000 2.042 35 L HA -0.208 4.123 4.340 -0.014 0.000 0.210 35 L C 2.213 179.053 176.870 -0.049 0.000 1.076 35 L CA 1.891 56.674 54.840 -0.095 0.000 0.749 35 L CB -0.444 41.572 42.059 -0.072 0.000 0.893 35 L HN 0.310 nan 8.230 nan 0.000 0.432 36 H N -1.618 117.376 119.070 -0.128 0.000 2.266 36 H HA -0.083 4.465 4.556 -0.014 0.000 0.308 36 H C 1.832 176.979 175.328 -0.301 0.000 1.057 36 H CA 2.342 58.227 56.048 -0.272 0.000 1.330 36 H CB -0.363 29.144 29.762 -0.424 0.000 1.400 36 H HN 0.283 nan 8.280 nan 0.000 0.503 37 F N -0.340 119.587 119.950 -0.039 0.000 2.259 37 F HA -0.045 4.473 4.527 -0.014 0.000 0.298 37 F C 2.589 178.312 175.800 -0.129 0.000 1.088 37 F CA 1.436 59.374 58.000 -0.104 0.000 1.358 37 F CB -0.351 38.630 39.000 -0.032 0.000 1.040 37 F HN 0.206 nan 8.300 nan 0.000 0.505 38 T N -0.302 114.279 114.554 0.045 0.000 2.901 38 T HA 0.081 4.423 4.350 -0.014 0.000 0.252 38 T C 1.886 176.479 174.700 -0.178 0.000 1.035 38 T CA 0.788 62.836 62.100 -0.086 0.000 1.142 38 T CB -0.288 68.474 68.868 -0.176 0.000 0.869 38 T HN 0.096 nan 8.240 nan 0.000 0.442 39 L N 1.313 122.428 121.223 -0.179 0.000 2.567 39 L HA 0.206 4.538 4.340 -0.014 0.000 0.225 39 L C 0.306 177.075 176.870 -0.168 0.000 1.119 39 L CA -0.096 54.633 54.840 -0.185 0.000 0.871 39 L CB 0.019 41.976 42.059 -0.169 0.000 1.036 39 L HN -0.018 nan 8.230 nan 0.000 0.459 40 V N 0.006 119.803 119.914 -0.196 0.000 5.820 40 V HA -0.286 3.826 4.120 -0.014 0.000 0.300 40 V C -0.051 175.928 176.094 -0.191 0.000 0.585 40 V CA 1.075 63.234 62.300 -0.236 0.000 0.629 40 V CB -2.304 29.408 31.823 -0.185 0.000 0.291 40 V HN 0.407 nan 8.190 nan 0.000 0.887 41 K N 0.903 121.200 120.400 -0.171 0.000 2.482 41 K HA 0.706 5.017 4.320 -0.014 0.000 0.257 41 K C -0.421 176.148 176.600 -0.051 0.000 0.969 41 K CA -0.488 55.733 56.287 -0.111 0.000 0.842 41 K CB 2.842 35.272 32.500 -0.118 0.000 1.359 41 K HN 0.483 nan 8.250 nan 0.000 0.441 42 D N -0.485 119.905 120.400 -0.016 0.000 2.525 42 D HA 0.306 4.937 4.640 -0.014 0.000 0.249 42 D C 0.706 177.040 176.300 0.057 0.000 1.072 42 D CA -0.654 53.371 54.000 0.041 0.000 1.067 42 D CB 0.810 41.637 40.800 0.046 0.000 1.282 42 D HN 0.110 nan 8.370 nan 0.000 0.587 43 R N -0.143 120.422 120.500 0.108 0.000 2.241 43 R HA -0.014 4.317 4.340 -0.014 0.000 0.224 43 R C 0.849 177.220 176.300 0.119 0.000 1.101 43 R CA 0.518 56.720 56.100 0.170 0.000 0.995 43 R CB -0.714 29.690 30.300 0.172 0.000 0.870 43 R HN 0.503 nan 8.270 nan 0.000 0.463 44 N N 0.224 118.961 118.700 0.063 0.000 2.354 44 N HA -0.079 4.652 4.740 -0.014 0.000 0.179 44 N C 1.612 177.136 175.510 0.023 0.000 1.021 44 N CA 1.281 54.356 53.050 0.042 0.000 0.887 44 N CB 0.242 38.744 38.487 0.025 0.000 0.974 44 N HN 0.225 nan 8.380 nan 0.000 0.437 45 V N -3.108 116.806 119.914 -0.000 0.000 3.477 45 V HA 0.540 4.651 4.120 -0.014 0.000 0.297 45 V C 0.717 176.767 176.094 -0.074 0.000 1.433 45 V CA -0.619 61.664 62.300 -0.028 0.000 1.052 45 V CB -0.353 31.450 31.823 -0.033 0.000 0.895 45 V HN 0.052 nan 8.190 nan 0.000 0.438 46 A N 2.456 125.210 122.820 -0.111 0.000 2.488 46 A HA 0.533 4.844 4.320 -0.014 0.000 0.249 46 A C 0.835 178.222 177.584 -0.328 0.000 1.083 46 A CA 0.803 52.660 52.037 -0.300 0.000 0.768 46 A CB -0.254 18.427 19.000 -0.532 0.000 1.017 46 A HN 0.812 nan 8.150 nan 0.000 0.496 47 T N 0.891 115.271 114.554 -0.290 0.000 2.899 47 T HA 0.463 4.804 4.350 -0.014 0.000 0.284 47 T C -1.916 172.652 174.700 -0.219 0.000 1.004 47 T CA -1.558 60.434 62.100 -0.180 0.000 1.043 47 T CB 0.932 69.736 68.868 -0.107 0.000 1.013 47 T HN 0.310 nan 8.240 nan 0.000 0.518 48 P HA -0.083 nan 4.420 nan 0.000 0.218 48 P C 1.574 178.929 177.300 0.092 0.000 1.148 48 P CA 0.906 64.083 63.100 0.128 0.000 0.822 48 P CB 0.043 31.809 31.700 0.110 0.000 0.784 49 R N -0.026 120.471 120.500 -0.005 0.000 2.092 49 R HA -0.125 4.207 4.340 -0.014 0.000 0.231 49 R C 1.664 178.013 176.300 0.081 0.000 1.119 49 R CA 1.575 57.667 56.100 -0.014 0.000 0.970 49 R CB -0.667 29.566 30.300 -0.111 0.000 0.864 49 R HN 0.060 nan 8.270 nan 0.000 0.440 50 D N -0.162 120.241 120.400 0.005 0.000 2.123 50 D HA -0.206 4.426 4.640 -0.014 0.000 0.196 50 D C 1.697 177.995 176.300 -0.002 0.000 0.992 50 D CA 1.413 55.399 54.000 -0.024 0.000 0.833 50 D CB -0.335 40.320 40.800 -0.241 0.000 0.954 50 D HN 0.301 nan 8.370 nan 0.000 0.455 51 Y N -0.030 120.339 120.300 0.115 0.000 2.181 51 Y HA -0.199 4.343 4.550 -0.014 0.000 0.288 51 Y C 2.322 178.333 175.900 0.186 0.000 1.146 51 Y CA 0.349 58.562 58.100 0.188 0.000 1.164 51 Y CB -1.180 37.456 38.460 0.292 0.000 0.982 51 Y HN 0.095 nan 8.280 nan 0.000 0.515 52 Y N -0.441 119.970 120.300 0.185 0.000 2.128 52 Y HA -0.305 4.237 4.550 -0.014 0.000 0.284 52 Y C 2.056 177.962 175.900 0.010 0.000 1.154 52 Y CA 1.409 59.535 58.100 0.043 0.000 1.149 52 Y CB -1.151 37.219 38.460 -0.149 0.000 0.976 52 Y HN 0.076 nan 8.280 nan 0.000 0.505 53 F N 0.069 119.850 119.950 -0.282 0.000 2.171 53 F HA -0.183 4.336 4.527 -0.014 0.000 0.300 53 F C 2.651 178.292 175.800 -0.265 0.000 1.090 53 F CA 0.885 58.665 58.000 -0.367 0.000 1.293 53 F CB -0.640 38.278 39.000 -0.136 0.000 1.013 53 F HN 0.222 nan 8.300 nan 0.000 0.486 54 A N -0.036 122.725 122.820 -0.099 0.000 1.908 54 A HA -0.216 4.095 4.320 -0.014 0.000 0.218 54 A C 2.020 179.484 177.584 -0.201 0.000 1.181 54 A CA 1.677 53.516 52.037 -0.330 0.000 0.627 54 A CB -0.986 17.495 19.000 -0.866 0.000 0.818 54 A HN 0.359 nan 8.150 nan 0.000 0.445 55 L N -0.362 120.863 121.223 0.004 0.000 2.056 55 L HA 0.016 4.348 4.340 -0.014 0.000 0.207 55 L C 2.671 179.574 176.870 0.054 0.000 1.078 55 L CA 2.125 57.108 54.840 0.238 0.000 0.749 55 L CB -0.940 41.329 42.059 0.351 0.000 0.901 55 L HN 0.339 nan 8.230 nan 0.000 0.433 56 A N -1.203 121.504 122.820 -0.188 0.000 1.883 56 A HA -0.283 4.028 4.320 -0.014 0.000 0.217 56 A C 2.144 179.476 177.584 -0.420 0.000 1.186 56 A CA 2.011 53.844 52.037 -0.339 0.000 0.624 56 A CB -1.078 17.472 19.000 -0.749 0.000 0.822 56 A HN 0.658 nan 8.150 nan 0.000 0.444 57 H N -0.634 118.165 119.070 -0.451 0.000 2.353 57 H HA -0.064 4.484 4.556 -0.014 0.000 0.300 57 H C 2.359 177.469 175.328 -0.364 0.000 1.090 57 H CA 2.054 57.749 56.048 -0.589 0.000 1.327 57 H CB -0.355 28.764 29.762 -1.073 0.000 1.383 57 H HN 0.459 nan 8.280 nan 0.000 0.508 58 T N -0.313 114.244 114.554 0.004 0.000 2.746 58 T HA -0.137 4.205 4.350 -0.014 0.000 0.267 58 T C 2.267 177.146 174.700 0.298 0.000 1.039 58 T CA 1.399 63.661 62.100 0.270 0.000 1.142 58 T CB -0.416 68.663 68.868 0.352 0.000 0.866 58 T HN 0.093 nan 8.240 nan 0.000 0.444 59 V N 2.389 122.440 119.914 0.229 0.000 2.358 59 V HA -0.160 3.951 4.120 -0.014 0.000 0.246 59 V C 2.664 178.932 176.094 0.289 0.000 1.047 59 V CA 1.939 64.402 62.300 0.272 0.000 1.035 59 V CB -0.685 31.301 31.823 0.272 0.000 0.658 59 V HN 0.512 nan 8.190 nan 0.000 0.452 60 R N 0.427 121.036 120.500 0.181 0.000 2.120 60 R HA -0.197 4.135 4.340 -0.014 0.000 0.234 60 R C 1.690 178.078 176.300 0.145 0.000 1.123 60 R CA 2.030 58.230 56.100 0.166 0.000 0.975 60 R CB -0.706 29.537 30.300 -0.096 0.000 0.866 60 R HN 0.374 nan 8.270 nan 0.000 0.446 61 D N 0.709 121.187 120.400 0.131 0.000 2.190 61 D HA -0.170 4.462 4.640 -0.014 0.000 0.200 61 D C 1.651 177.972 176.300 0.035 0.000 0.992 61 D CA 1.167 55.223 54.000 0.092 0.000 0.854 61 D CB -0.359 40.499 40.800 0.096 0.000 0.936 61 D HN 0.489 nan 8.370 nan 0.000 0.462 62 H N -0.344 118.785 119.070 0.100 0.000 2.524 62 H HA 0.057 4.604 4.556 -0.014 0.000 0.282 62 H C 2.146 177.514 175.328 0.067 0.000 1.016 62 H CA 0.329 56.422 56.048 0.075 0.000 1.270 62 H CB 0.341 30.142 29.762 0.064 0.000 1.394 62 H HN 0.205 nan 8.280 nan 0.000 0.568 63 L N -0.168 121.164 121.223 0.181 0.000 2.240 63 L HA -0.095 4.237 4.340 -0.014 0.000 0.211 63 L C 2.499 179.476 176.870 0.179 0.000 1.106 63 L CA 0.150 55.065 54.840 0.125 0.000 0.793 63 L CB -0.095 42.005 42.059 0.069 0.000 0.927 63 L HN 0.028 nan 8.230 nan 0.000 0.446 64 V N 0.410 120.436 119.914 0.188 0.000 2.233 64 V HA -0.270 3.842 4.120 -0.014 0.000 0.247 64 V C 2.643 178.835 176.094 0.165 0.000 1.050 64 V CA 2.253 64.681 62.300 0.214 0.000 1.010 64 V CB -1.360 30.540 31.823 0.129 0.000 0.637 64 V HN 0.565 nan 8.190 nan 0.000 0.444 65 G N -0.336 108.520 108.800 0.094 0.000 2.446 65 G HA2 -0.263 3.689 3.960 -0.014 0.000 0.217 65 G HA3 -0.263 3.689 3.960 -0.014 0.000 0.217 65 G C 1.733 176.676 174.900 0.072 0.000 1.168 65 G CA 0.943 46.078 45.100 0.059 0.000 0.771 65 G HN 0.471 nan 8.290 nan 0.000 0.551 66 R N -1.451 119.100 120.500 0.085 0.000 2.092 66 R HA -0.064 4.268 4.340 -0.014 0.000 0.231 66 R C 2.267 178.648 176.300 0.136 0.000 1.119 66 R CA 1.131 57.272 56.100 0.068 0.000 0.970 66 R CB -0.356 29.967 30.300 0.038 0.000 0.864 66 R HN 0.465 nan 8.270 nan 0.000 0.440 67 W N 1.568 122.848 121.300 -0.033 0.000 2.355 67 W HA -0.064 4.588 4.660 -0.014 0.000 0.309 67 W C 1.744 178.234 176.519 -0.048 0.000 1.206 67 W CA 0.908 58.230 57.345 -0.038 0.000 1.284 67 W CB -0.605 28.849 29.460 -0.010 0.000 1.145 67 W HN -0.034 nan 8.180 nan 0.000 0.502 68 I N 0.946 121.579 120.570 0.106 0.000 2.226 68 I HA -0.347 3.815 4.170 -0.014 0.000 0.245 68 I C 2.692 178.800 176.117 -0.015 0.000 1.100 68 I CA 2.041 63.322 61.300 -0.032 0.000 1.374 68 I CB -0.620 37.359 38.000 -0.034 0.000 1.057 68 I HN -0.015 nan 8.210 nan 0.000 0.413 69 R N 0.357 120.862 120.500 0.007 0.000 2.119 69 R HA -0.046 4.285 4.340 -0.014 0.000 0.222 69 R C 1.965 178.235 176.300 -0.050 0.000 1.088 69 R CA 1.509 57.602 56.100 -0.012 0.000 0.984 69 R CB -1.196 29.095 30.300 -0.014 0.000 0.884 69 R HN 0.158 nan 8.270 nan 0.000 0.447 70 T N 1.800 116.306 114.554 -0.081 0.000 2.652 70 T HA -0.135 4.206 4.350 -0.014 0.000 0.267 70 T C 1.851 176.290 174.700 -0.435 0.000 1.039 70 T CA 1.589 63.536 62.100 -0.255 0.000 1.153 70 T CB -0.161 68.596 68.868 -0.184 0.000 0.863 70 T HN 0.273 nan 8.240 nan 0.000 0.428 71 Q N 0.827 120.508 119.800 -0.197 0.000 2.119 71 Q HA -0.078 4.254 4.340 -0.014 0.000 0.201 71 Q C 2.306 178.313 176.000 0.011 0.000 0.972 71 Q CA 1.211 56.959 55.803 -0.092 0.000 0.847 71 Q CB -0.474 28.260 28.738 -0.006 0.000 0.903 71 Q HN 0.634 nan 8.270 nan 0.000 0.433 72 Q N -0.154 119.653 119.800 0.011 0.000 2.084 72 Q HA -0.232 4.100 4.340 -0.014 0.000 0.202 72 Q C 2.039 178.133 176.000 0.156 0.000 0.978 72 Q CA 1.669 57.530 55.803 0.096 0.000 0.844 72 Q CB -0.104 28.672 28.738 0.063 0.000 0.898 72 Q HN 0.491 nan 8.270 nan 0.000 0.426 73 H N -0.823 118.226 119.070 -0.034 0.000 2.319 73 H HA -0.203 4.344 4.556 -0.014 0.000 0.299 73 H C 1.363 176.758 175.328 0.111 0.000 1.092 73 H CA 2.346 58.385 56.048 -0.016 0.000 1.302 73 H CB -0.271 29.423 29.762 -0.114 0.000 1.373 73 H HN 0.360 nan 8.280 nan 0.000 0.497 74 Y N -0.967 119.352 120.300 0.032 0.000 2.224 74 Y HA -0.197 4.344 4.550 -0.014 0.000 0.289 74 Y C 2.490 178.411 175.900 0.034 0.000 1.146 74 Y CA 1.094 59.185 58.100 -0.016 0.000 1.182 74 Y CB -1.441 37.073 38.460 0.089 0.000 0.983 74 Y HN 0.367 nan 8.280 nan 0.000 0.524 75 Y N 1.318 121.699 120.300 0.134 0.000 2.181 75 Y HA -0.178 4.364 4.550 -0.014 0.000 0.288 75 Y C 2.075 177.988 175.900 0.022 0.000 1.146 75 Y CA 1.740 59.885 58.100 0.074 0.000 1.164 75 Y CB -0.081 38.416 38.460 0.063 0.000 0.982 75 Y HN 0.042 nan 8.280 nan 0.000 0.515 76 E N 0.294 120.465 120.200 -0.048 0.000 2.072 76 E HA -0.134 4.207 4.350 -0.014 0.000 0.190 76 E C 1.996 178.502 176.600 -0.156 0.000 0.982 76 E CA 1.114 57.431 56.400 -0.138 0.000 0.803 76 E CB -0.222 29.472 29.700 -0.011 0.000 0.755 76 E HN 0.492 nan 8.360 nan 0.000 0.453 77 K N 0.617 120.915 120.400 -0.170 0.000 2.305 77 K HA -0.067 4.245 4.320 -0.014 0.000 0.199 77 K C -0.078 176.452 176.600 -0.116 0.000 1.047 77 K CA 0.348 56.534 56.287 -0.167 0.000 0.976 77 K CB 0.092 32.415 32.500 -0.296 0.000 0.765 77 K HN -0.040 nan 8.250 nan 0.000 0.474 78 D N 1.099 121.440 120.400 -0.097 0.000 2.735 78 D HA -0.103 4.529 4.640 -0.014 0.000 0.235 78 D C -2.425 173.842 176.300 -0.056 0.000 1.175 78 D CA 0.118 54.077 54.000 -0.069 0.000 0.683 78 D CB -0.102 40.637 40.800 -0.102 0.000 1.008 78 D HN 0.177 nan 8.370 nan 0.000 0.416 79 P HA 0.106 nan 4.420 nan 0.000 0.277 79 P C -0.138 177.115 177.300 -0.078 0.000 1.271 79 P CA -0.572 62.484 63.100 -0.073 0.000 0.795 79 P CB 0.589 32.226 31.700 -0.105 0.000 1.101 80 K N 1.053 121.411 120.400 -0.071 0.000 2.416 80 K HA 0.062 4.374 4.320 -0.014 0.000 0.283 80 K C 0.031 176.542 176.600 -0.148 0.000 1.037 80 K CA 0.031 56.271 56.287 -0.079 0.000 0.995 80 K CB 0.184 32.656 32.500 -0.047 0.000 0.938 80 K HN 0.292 nan 8.250 nan 0.000 0.475 81 R N 3.832 124.231 120.500 -0.168 0.000 2.428 81 R HA 0.344 4.676 4.340 -0.014 0.000 0.294 81 R C -0.435 175.595 176.300 -0.451 0.000 1.000 81 R CA -0.777 55.141 56.100 -0.303 0.000 0.960 81 R CB 0.913 31.049 30.300 -0.273 0.000 1.076 81 R HN 0.485 nan 8.270 nan 0.000 0.475 82 I N 3.896 124.139 120.570 -0.544 0.000 2.339 82 I HA 0.219 4.381 4.170 -0.014 0.000 0.290 82 I C -0.690 175.117 176.117 -0.517 0.000 0.994 82 I CA -0.846 60.092 61.300 -0.603 0.000 1.191 82 I CB 0.836 38.354 38.000 -0.802 0.000 1.343 82 I HN 0.526 nan 8.210 nan 0.000 0.458 83 Y N 5.874 126.135 120.300 -0.065 0.000 2.356 83 Y HA 0.305 4.847 4.550 -0.014 0.000 0.334 83 Y C -0.336 175.659 175.900 0.158 0.000 0.958 83 Y CA -0.722 57.455 58.100 0.128 0.000 1.196 83 Y CB 1.219 39.700 38.460 0.035 0.000 1.137 83 Y HN 0.406 nan 8.280 nan 0.000 0.485 84 Y N 4.556 125.035 120.300 0.298 0.000 2.518 84 Y HA 0.486 5.027 4.550 -0.014 0.000 0.344 84 Y C -1.260 174.901 175.900 0.434 0.000 0.982 84 Y CA -0.933 57.351 58.100 0.307 0.000 1.234 84 Y CB 0.308 38.952 38.460 0.307 0.000 1.114 84 Y HN 0.519 nan 8.280 nan 0.000 0.515 85 L N 4.935 126.217 121.223 0.099 0.000 2.276 85 L HA 0.495 4.826 4.340 -0.014 0.000 0.286 85 L C -0.195 176.708 176.870 0.055 0.000 1.061 85 L CA 0.127 55.080 54.840 0.189 0.000 0.807 85 L CB 1.348 43.474 42.059 0.112 0.000 1.177 85 L HN 0.575 nan 8.230 nan 0.000 0.429 86 S N 2.380 118.194 115.700 0.189 0.000 2.541 86 S HA 0.513 4.974 4.470 -0.014 0.000 0.271 86 S C 0.227 174.923 174.600 0.161 0.000 1.133 86 S CA -0.513 57.691 58.200 0.007 0.000 0.876 86 S CB 1.031 63.993 63.200 -0.397 0.000 1.105 86 S HN 0.467 nan 8.310 nan 0.000 0.470 87 L N 2.606 123.954 121.223 0.208 0.000 2.591 87 L HA 0.443 4.775 4.340 -0.014 0.000 0.228 87 L C 0.301 177.373 176.870 0.336 0.000 1.133 87 L CA 0.915 55.947 54.840 0.320 0.000 0.880 87 L CB -0.044 42.218 42.059 0.338 0.000 1.033 87 L HN 0.632 nan 8.230 nan 0.000 0.450 88 E N -1.175 119.094 120.200 0.115 0.000 2.275 88 E HA 0.411 4.752 4.350 -0.014 0.000 0.270 88 E C -1.407 175.083 176.600 -0.184 0.000 0.882 88 E CA -0.436 56.013 56.400 0.081 0.000 0.758 88 E CB 1.894 31.612 29.700 0.030 0.000 1.195 88 E HN -0.165 nan 8.360 nan 0.000 0.419 89 F N 2.225 122.284 119.950 0.182 0.000 2.716 89 F HA 0.190 4.708 4.527 -0.014 0.000 0.354 89 F C -0.897 174.993 175.800 0.149 0.000 1.168 89 F CA -0.770 57.326 58.000 0.159 0.000 1.045 89 F CB 1.052 40.138 39.000 0.143 0.000 1.311 89 F HN 0.476 nan 8.300 nan 0.000 0.477 90 Y N 5.414 125.793 120.300 0.131 0.000 2.802 90 Y HA 0.262 4.804 4.550 -0.014 0.000 0.330 90 Y C 0.754 176.674 175.900 0.033 0.000 1.193 90 Y CA -1.113 57.013 58.100 0.043 0.000 1.427 90 Y CB 0.423 38.891 38.460 0.014 0.000 1.357 90 Y HN 0.560 nan 8.280 nan 0.000 0.501 91 M N 1.452 121.169 119.600 0.194 0.000 2.394 91 M HA 0.148 4.619 4.480 -0.014 0.000 0.266 91 M C 1.540 177.809 176.300 -0.051 0.000 1.098 91 M CA 1.028 56.359 55.300 0.050 0.000 1.149 91 M CB -1.095 31.516 32.600 0.018 0.000 1.369 91 M HN 0.695 nan 8.290 nan 0.000 0.450 92 G N 1.350 110.125 108.800 -0.042 0.000 2.562 92 G HA2 -0.276 3.676 3.960 -0.014 0.000 0.250 92 G HA3 -0.276 3.676 3.960 -0.014 0.000 0.250 92 G C -0.230 174.622 174.900 -0.081 0.000 1.269 92 G CA -0.301 44.741 45.100 -0.097 0.000 0.919 92 G HN 0.434 nan 8.290 nan 0.000 0.574 93 R N -0.682 119.755 120.500 -0.104 0.000 2.531 93 R HA 0.570 4.901 4.340 -0.014 0.000 0.273 93 R C 1.113 177.298 176.300 -0.191 0.000 1.070 93 R CA 0.293 56.344 56.100 -0.082 0.000 1.112 93 R CB 0.746 31.012 30.300 -0.056 0.000 1.049 93 R HN 0.516 nan 8.270 nan 0.000 0.508 94 T N 1.221 115.602 114.554 -0.289 0.000 2.990 94 T HA -0.008 4.333 4.350 -0.014 0.000 0.249 94 T C 1.413 175.722 174.700 -0.652 0.000 1.039 94 T CA -0.096 61.612 62.100 -0.653 0.000 1.036 94 T CB 0.142 68.235 68.868 -1.291 0.000 0.994 94 T HN 0.300 nan 8.240 nan 0.000 0.489 95 L N 1.930 123.002 121.223 -0.253 0.000 1.976 95 L HA -0.002 4.329 4.340 -0.014 0.000 0.209 95 L C 2.487 179.333 176.870 -0.040 0.000 1.071 95 L CA 1.999 56.855 54.840 0.026 0.000 0.746 95 L CB -0.763 41.534 42.059 0.397 0.000 0.890 95 L HN 0.176 nan 8.230 nan 0.000 0.432 96 Q N -0.685 119.091 119.800 -0.039 0.000 2.084 96 Q HA -0.265 4.067 4.340 -0.014 0.000 0.202 96 Q C 2.244 178.178 176.000 -0.109 0.000 0.978 96 Q CA 1.984 57.754 55.803 -0.055 0.000 0.844 96 Q CB -0.354 28.350 28.738 -0.058 0.000 0.898 96 Q HN 0.691 nan 8.270 nan 0.000 0.426 97 N N -1.074 117.521 118.700 -0.175 0.000 2.094 97 N HA -0.165 4.567 4.740 -0.014 0.000 0.191 97 N C 1.382 176.789 175.510 -0.171 0.000 1.023 97 N CA 1.900 54.835 53.050 -0.191 0.000 0.857 97 N CB 0.016 38.354 38.487 -0.247 0.000 1.013 97 N HN 0.257 nan 8.380 nan 0.000 0.426 98 T N 1.269 115.689 114.554 -0.224 0.000 2.777 98 T HA -0.049 4.293 4.350 -0.014 0.000 0.266 98 T C 2.076 176.720 174.700 -0.093 0.000 1.040 98 T CA 1.037 63.026 62.100 -0.185 0.000 1.141 98 T CB -0.070 68.651 68.868 -0.244 0.000 0.868 98 T HN 0.265 nan 8.240 nan 0.000 0.444 99 M N 0.618 120.180 119.600 -0.063 0.000 2.117 99 M HA -0.098 4.373 4.480 -0.014 0.000 0.262 99 M C 2.487 178.757 176.300 -0.050 0.000 1.065 99 M CA 1.303 56.578 55.300 -0.042 0.000 1.114 99 M CB -0.707 31.885 32.600 -0.014 0.000 1.361 99 M HN 0.097 nan 8.290 nan 0.000 0.408 100 V N 1.011 120.900 119.914 -0.040 0.000 2.287 100 V HA -0.282 3.830 4.120 -0.014 0.000 0.248 100 V C 1.790 177.893 176.094 0.014 0.000 1.053 100 V CA 2.026 64.326 62.300 0.001 0.000 1.027 100 V CB -0.875 30.953 31.823 0.007 0.000 0.646 100 V HN 0.476 nan 8.190 nan 0.000 0.447 101 N N -0.370 118.326 118.700 -0.006 0.000 2.459 101 N HA -0.041 4.691 4.740 -0.014 0.000 0.181 101 N C 1.068 176.484 175.510 -0.157 0.000 1.046 101 N CA 0.693 53.722 53.050 -0.034 0.000 0.904 101 N CB -0.116 38.364 38.487 -0.012 0.000 0.964 101 N HN 0.283 nan 8.380 nan 0.000 0.444 102 L N -0.222 120.927 121.223 -0.124 0.000 2.640 102 L HA 0.398 4.730 4.340 -0.014 0.000 0.230 102 L C 0.624 177.411 176.870 -0.138 0.000 1.123 102 L CA -0.250 54.516 54.840 -0.124 0.000 0.900 102 L CB -0.803 41.205 42.059 -0.084 0.000 1.146 102 L HN 0.106 nan 8.230 nan 0.000 0.484 103 A N -0.606 122.127 122.820 -0.145 0.000 2.869 103 A HA -0.215 4.097 4.320 -0.014 0.000 0.280 103 A C 1.070 178.597 177.584 -0.094 0.000 1.458 103 A CA 0.925 52.889 52.037 -0.122 0.000 0.776 103 A CB -1.940 16.974 19.000 -0.144 0.000 1.028 103 A HN 0.208 nan 8.150 nan 0.000 0.547 104 L N -0.781 120.387 121.223 -0.092 0.000 2.693 104 L HA 0.257 4.589 4.340 -0.014 0.000 0.235 104 L C 1.817 178.652 176.870 -0.058 0.000 1.127 104 L CA 1.546 56.327 54.840 -0.099 0.000 0.914 104 L CB -0.299 41.670 42.059 -0.150 0.000 1.193 104 L HN 0.638 nan 8.230 nan 0.000 0.502 105 E N -0.219 119.957 120.200 -0.040 0.000 2.051 105 E HA -0.220 4.122 4.350 -0.014 0.000 0.192 105 E C 1.589 178.179 176.600 -0.016 0.000 0.991 105 E CA 1.276 57.664 56.400 -0.020 0.000 0.799 105 E CB 0.295 29.986 29.700 -0.015 0.000 0.748 105 E HN 0.385 nan 8.360 nan 0.000 0.449 106 N N 0.176 118.864 118.700 -0.021 0.000 2.142 106 N HA -0.123 4.609 4.740 -0.014 0.000 0.186 106 N C 1.590 177.090 175.510 -0.017 0.000 1.023 106 N CA 1.265 54.303 53.050 -0.020 0.000 0.852 106 N CB -0.413 38.061 38.487 -0.021 0.000 0.998 106 N HN 0.226 nan 8.380 nan 0.000 0.424 107 A N 0.395 123.202 122.820 -0.021 0.000 1.908 107 A HA -0.160 4.152 4.320 -0.014 0.000 0.218 107 A C 2.667 180.247 177.584 -0.007 0.000 1.181 107 A CA 1.433 53.461 52.037 -0.016 0.000 0.627 107 A CB -1.036 17.948 19.000 -0.028 0.000 0.818 107 A HN 0.451 nan 8.150 nan 0.000 0.445 108 C N -0.906 118.390 119.300 -0.008 0.000 2.440 108 C HA -0.063 4.388 4.460 -0.014 0.000 0.278 108 C C 2.471 177.465 174.990 0.007 0.000 1.295 108 C CA 1.052 60.076 59.018 0.009 0.000 1.738 108 C CB -1.091 26.666 27.740 0.028 0.000 1.987 108 C HN 0.669 nan 8.230 nan 0.000 0.492 109 D N 0.656 121.060 120.400 0.006 0.000 2.117 109 D HA -0.136 4.496 4.640 -0.014 0.000 0.197 109 D C 2.131 178.448 176.300 0.028 0.000 0.987 109 D CA 1.454 55.460 54.000 0.009 0.000 0.829 109 D CB -0.254 40.540 40.800 -0.010 0.000 0.961 109 D HN 0.467 nan 8.370 nan 0.000 0.460 110 E N 0.432 120.645 120.200 0.021 0.000 2.031 110 E HA -0.087 4.255 4.350 -0.014 0.000 0.193 110 E C 1.899 178.541 176.600 0.070 0.000 0.994 110 E CA 1.725 58.162 56.400 0.061 0.000 0.800 110 E CB -0.581 29.138 29.700 0.033 0.000 0.752 110 E HN 0.196 nan 8.360 nan 0.000 0.447 111 A N -0.132 122.693 122.820 0.009 0.000 1.883 111 A HA -0.221 4.091 4.320 -0.014 0.000 0.217 111 A C 2.500 180.007 177.584 -0.128 0.000 1.186 111 A CA 2.953 54.965 52.037 -0.042 0.000 0.624 111 A CB -1.483 17.496 19.000 -0.036 0.000 0.822 111 A HN 0.534 nan 8.150 nan 0.000 0.444 112 T N -3.554 110.919 114.554 -0.136 0.000 2.777 112 T HA -0.224 4.118 4.350 -0.014 0.000 0.266 112 T C 1.869 176.487 174.700 -0.136 0.000 1.040 112 T CA 1.525 63.485 62.100 -0.233 0.000 1.141 112 T CB -0.660 68.111 68.868 -0.162 0.000 0.868 112 T HN 0.463 nan 8.240 nan 0.000 0.444 113 Y N 2.299 122.520 120.300 -0.133 0.000 2.114 113 Y HA -0.162 4.380 4.550 -0.013 0.000 0.282 113 Y C 2.628 178.469 175.900 -0.100 0.000 1.165 113 Y CA 1.726 59.767 58.100 -0.097 0.000 1.148 113 Y CB -0.630 37.792 38.460 -0.063 0.000 0.972 113 Y HN 0.264 nan 8.280 nan 0.000 0.504 114 Q N -0.973 118.714 119.800 -0.188 0.000 2.291 114 Q HA -0.128 4.204 4.340 -0.014 0.000 0.206 114 Q C 1.478 177.333 176.000 -0.243 0.000 0.976 114 Q CA 0.918 56.575 55.803 -0.243 0.000 0.875 114 Q CB -0.071 28.613 28.738 -0.091 0.000 0.927 114 Q HN 0.364 nan 8.270 nan 0.000 0.450 115 L N -1.121 119.951 121.223 -0.252 0.000 2.591 115 L HA 0.159 4.490 4.340 -0.014 0.000 0.228 115 L C 1.109 177.823 176.870 -0.260 0.000 1.133 115 L CA 1.141 55.828 54.840 -0.256 0.000 0.880 115 L CB -0.216 41.621 42.059 -0.370 0.000 1.033 115 L HN 0.292 nan 8.230 nan 0.000 0.450 116 G N -0.095 108.535 108.800 -0.283 0.000 2.171 116 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.238 116 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.238 116 G C -0.015 174.764 174.900 -0.201 0.000 1.039 116 G CA 0.163 45.117 45.100 -0.243 0.000 0.759 116 G HN 0.263 nan 8.290 nan 0.000 0.501 117 L N -0.214 120.889 121.223 -0.200 0.000 2.354 117 L HA 0.612 4.944 4.340 -0.014 0.000 0.269 117 L C -0.635 176.209 176.870 -0.042 0.000 1.005 117 L CA -1.180 53.564 54.840 -0.160 0.000 0.819 117 L CB 1.973 43.867 42.059 -0.274 0.000 1.311 117 L HN 0.089 nan 8.230 nan 0.000 0.423 118 D N 2.046 122.448 120.400 0.003 0.000 2.359 118 D HA 0.191 4.822 4.640 -0.014 0.000 0.230 118 D C 0.609 176.940 176.300 0.051 0.000 1.118 118 D CA -0.224 53.804 54.000 0.046 0.000 0.844 118 D CB 1.562 42.394 40.800 0.053 0.000 1.059 118 D HN 0.500 nan 8.370 nan 0.000 0.493 119 M N 3.157 122.788 119.600 0.052 0.000 2.159 119 M HA -0.132 4.339 4.480 -0.014 0.000 0.263 119 M C 1.280 177.628 176.300 0.080 0.000 1.063 119 M CA 1.525 56.867 55.300 0.069 0.000 1.110 119 M CB 0.204 32.838 32.600 0.057 0.000 1.374 119 M HN 0.422 nan 8.290 nan 0.000 0.411 120 E N -0.259 119.978 120.200 0.062 0.000 2.150 120 E HA -0.241 4.100 4.350 -0.014 0.000 0.193 120 E C 1.847 178.487 176.600 0.067 0.000 0.985 120 E CA 1.247 57.682 56.400 0.059 0.000 0.814 120 E CB -0.180 29.550 29.700 0.050 0.000 0.752 120 E HN 0.642 nan 8.360 nan 0.000 0.466 121 E N 0.616 120.858 120.200 0.070 0.000 2.072 121 E HA -0.186 4.156 4.350 -0.014 0.000 0.191 121 E C 1.955 178.603 176.600 0.079 0.000 0.985 121 E CA 0.558 57.000 56.400 0.070 0.000 0.801 121 E CB 0.181 29.921 29.700 0.068 0.000 0.750 121 E HN 0.088 nan 8.360 nan 0.000 0.452 122 L N 1.614 122.906 121.223 0.114 0.000 2.046 122 L HA -0.153 4.179 4.340 -0.014 0.000 0.208 122 L C 2.123 179.075 176.870 0.137 0.000 1.077 122 L CA 1.650 56.592 54.840 0.171 0.000 0.747 122 L CB -0.762 41.446 42.059 0.250 0.000 0.896 122 L HN 0.147 nan 8.230 nan 0.000 0.432 123 E N -0.660 119.612 120.200 0.120 0.000 2.118 123 E HA -0.215 4.127 4.350 -0.014 0.000 0.195 123 E C 1.838 178.427 176.600 -0.019 0.000 0.992 123 E CA 0.968 57.416 56.400 0.079 0.000 0.804 123 E CB -0.025 29.718 29.700 0.073 0.000 0.741 123 E HN 0.428 nan 8.360 nan 0.000 0.458 124 E N 0.255 120.452 120.200 -0.006 0.000 2.409 124 E HA -0.110 4.232 4.350 -0.014 0.000 0.198 124 E C 1.884 178.437 176.600 -0.078 0.000 1.024 124 E CA 0.523 56.916 56.400 -0.012 0.000 0.861 124 E CB 0.029 29.752 29.700 0.039 0.000 0.788 124 E HN 0.428 nan 8.360 nan 0.000 0.521 125 I N 0.794 121.256 120.570 -0.181 0.000 2.500 125 I HA -0.113 4.048 4.170 -0.014 0.000 0.252 125 I C 1.406 177.243 176.117 -0.466 0.000 1.142 125 I CA 0.246 61.367 61.300 -0.299 0.000 1.451 125 I CB 0.041 37.849 38.000 -0.321 0.000 1.093 125 I HN -0.012 nan 8.210 nan 0.000 0.430 126 E N 2.754 122.571 120.200 -0.637 0.000 2.415 126 E HA -0.049 4.293 4.350 -0.014 0.000 0.263 126 E C -0.239 176.303 176.600 -0.098 0.000 0.995 126 E CA -0.229 55.874 56.400 -0.495 0.000 0.915 126 E CB 0.612 30.166 29.700 -0.242 0.000 0.951 126 E HN 0.091 nan 8.360 nan 0.000 0.449 127 E N 3.493 123.730 120.200 0.061 0.000 2.373 127 E HA 0.047 4.389 4.350 -0.014 0.000 0.267 127 E C -0.743 175.963 176.600 0.178 0.000 1.032 127 E CA -0.166 56.338 56.400 0.172 0.000 0.889 127 E CB 0.607 30.495 29.700 0.313 0.000 0.984 127 E HN 0.473 nan 8.360 nan 0.000 0.425 128 D N 0.869 121.337 120.400 0.114 0.000 2.455 128 D HA 0.131 4.763 4.640 -0.014 0.000 0.241 128 D C -0.272 176.038 176.300 0.017 0.000 1.138 128 D CA 0.231 54.265 54.000 0.056 0.000 0.877 128 D CB 0.538 41.354 40.800 0.026 0.000 1.187 128 D HN 0.384 nan 8.370 nan 0.000 0.451 129 A N 2.408 125.184 122.820 -0.074 0.000 2.671 129 A HA 0.474 4.786 4.320 -0.014 0.000 0.306 129 A C 1.019 178.421 177.584 -0.303 0.000 1.473 129 A CA -0.402 51.366 52.037 -0.448 0.000 1.155 129 A CB -0.232 18.583 19.000 -0.309 0.000 1.123 129 A HN 0.530 nan 8.150 nan 0.000 0.545 130 G N 2.133 110.711 108.800 -0.370 0.000 3.943 130 G HA2 0.420 4.372 3.960 -0.014 0.000 0.275 130 G HA3 0.420 4.372 3.960 -0.014 0.000 0.275 130 G C 0.291 175.001 174.900 -0.316 0.000 1.234 130 G CA -0.303 44.700 45.100 -0.161 0.000 1.522 130 G HN 0.693 nan 8.290 nan 0.000 0.636 131 L N 1.292 122.379 121.223 -0.228 0.000 2.862 131 L HA 0.399 4.730 4.340 -0.014 0.000 0.240 131 L C 1.030 177.847 176.870 -0.089 0.000 1.283 131 L CA -0.218 54.575 54.840 -0.077 0.000 1.117 131 L CB -0.337 41.798 42.059 0.126 0.000 1.444 131 L HN 0.322 nan 8.230 nan 0.000 0.456 132 G N -1.260 107.266 108.800 -0.457 0.000 2.623 132 G HA2 0.192 4.144 3.960 -0.014 0.000 0.290 132 G HA3 0.192 4.144 3.960 -0.014 0.000 0.290 132 G C -0.188 174.214 174.900 -0.831 0.000 1.437 132 G CA -0.452 44.343 45.100 -0.508 0.000 0.798 132 G HN -0.090 nan 8.290 nan 0.000 0.488 133 N N -0.847 117.598 118.700 -0.425 0.000 2.439 133 N HA 0.221 4.952 4.740 -0.014 0.000 0.176 133 N C 1.131 176.613 175.510 -0.047 0.000 1.029 133 N CA 1.300 54.203 53.050 -0.246 0.000 0.886 133 N CB 1.271 39.738 38.487 -0.032 0.000 1.057 133 N HN 0.843 nan 8.380 nan 0.000 0.437 134 G N -0.724 108.146 108.800 0.117 0.000 2.725 134 G HA2 0.204 4.156 3.960 -0.014 0.000 0.098 134 G HA3 0.204 4.156 3.960 -0.014 0.000 0.098 134 G C 0.706 175.754 174.900 0.245 0.000 1.188 134 G CA 0.225 45.507 45.100 0.304 0.000 1.237 134 G HN 0.145 nan 8.290 nan 0.000 0.596 135 G N 0.378 109.257 108.800 0.132 0.000 2.446 135 G HA2 -0.079 3.873 3.960 -0.014 0.000 0.217 135 G HA3 -0.079 3.873 3.960 -0.014 0.000 0.217 135 G C 1.891 176.791 174.900 0.001 0.000 1.168 135 G CA 1.537 46.671 45.100 0.056 0.000 0.771 135 G HN 0.823 nan 8.290 nan 0.000 0.551 136 L N 0.606 121.803 121.223 -0.043 0.000 2.046 136 L HA 0.106 4.437 4.340 -0.014 0.000 0.208 136 L C 2.800 179.595 176.870 -0.125 0.000 1.077 136 L CA 1.982 56.703 54.840 -0.199 0.000 0.747 136 L CB -0.533 41.360 42.059 -0.276 0.000 0.896 136 L HN 0.228 nan 8.230 nan 0.000 0.432 137 G N -0.645 108.149 108.800 -0.010 0.000 2.403 137 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.216 137 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.216 137 G C 1.637 176.612 174.900 0.125 0.000 1.154 137 G CA 0.646 45.767 45.100 0.035 0.000 0.784 137 G HN 0.299 nan 8.290 nan 0.000 0.538 138 R N -0.000 120.607 120.500 0.179 0.000 2.115 138 R HA 0.137 4.469 4.340 -0.014 0.000 0.226 138 R C 2.278 178.584 176.300 0.009 0.000 1.100 138 R CA 0.755 56.925 56.100 0.118 0.000 0.980 138 R CB -0.829 29.500 30.300 0.048 0.000 0.875 138 R HN 0.333 nan 8.270 nan 0.000 0.445 139 L N 0.163 121.321 121.223 -0.107 0.000 2.017 139 L HA 0.006 4.338 4.340 -0.014 0.000 0.208 139 L C 2.108 178.682 176.870 -0.494 0.000 1.073 139 L CA 2.161 56.790 54.840 -0.351 0.000 0.745 139 L CB -0.912 40.901 42.059 -0.411 0.000 0.894 139 L HN 0.249 nan 8.230 nan 0.000 0.432 140 A N -0.499 122.159 122.820 -0.269 0.000 1.917 140 A HA -0.234 4.077 4.320 -0.014 0.000 0.219 140 A C 2.438 180.074 177.584 0.087 0.000 1.182 140 A CA 2.202 54.155 52.037 -0.140 0.000 0.633 140 A CB -1.234 17.632 19.000 -0.224 0.000 0.819 140 A HN 0.593 nan 8.150 nan 0.000 0.448 141 A N -1.193 121.713 122.820 0.144 0.000 1.873 141 A HA -0.134 4.177 4.320 -0.014 0.000 0.215 141 A C 2.323 179.986 177.584 0.131 0.000 1.186 141 A CA 1.607 53.757 52.037 0.188 0.000 0.616 141 A CB -1.265 17.836 19.000 0.167 0.000 0.823 141 A HN 0.616 nan 8.150 nan 0.000 0.442 142 C N -1.389 117.986 119.300 0.126 0.000 2.425 142 C HA -0.072 4.380 4.460 -0.014 0.000 0.277 142 C C 2.426 177.581 174.990 0.275 0.000 1.280 142 C CA 0.606 59.738 59.018 0.189 0.000 1.744 142 C CB -1.648 26.225 27.740 0.222 0.000 1.989 142 C HN 0.597 nan 8.230 nan 0.000 0.491 143 F N 1.273 121.210 119.950 -0.022 0.000 2.095 143 F HA -0.094 4.425 4.527 -0.014 0.000 0.298 143 F C 2.259 178.005 175.800 -0.091 0.000 1.104 143 F CA 1.062 58.998 58.000 -0.108 0.000 1.232 143 F CB -1.407 37.393 39.000 -0.334 0.000 0.987 143 F HN 0.192 nan 8.300 nan 0.000 0.475 144 L N -0.396 120.905 121.223 0.130 0.000 2.042 144 L HA -0.257 4.074 4.340 -0.014 0.000 0.210 144 L C 2.147 179.032 176.870 0.026 0.000 1.076 144 L CA 1.967 56.839 54.840 0.054 0.000 0.749 144 L CB -0.785 41.307 42.059 0.054 0.000 0.893 144 L HN 0.120 nan 8.230 nan 0.000 0.432 145 D N -0.501 119.924 120.400 0.043 0.000 2.097 145 D HA -0.166 4.465 4.640 -0.014 0.000 0.195 145 D C 2.206 178.525 176.300 0.031 0.000 0.989 145 D CA 1.437 55.448 54.000 0.018 0.000 0.827 145 D CB 0.208 41.016 40.800 0.014 0.000 0.966 145 D HN 0.081 nan 8.370 nan 0.000 0.456 146 S N -0.661 115.075 115.700 0.059 0.000 2.383 146 S HA -0.107 4.355 4.470 -0.014 0.000 0.227 146 S C 1.988 176.602 174.600 0.024 0.000 1.026 146 S CA 0.858 59.084 58.200 0.043 0.000 0.981 146 S CB -0.216 63.014 63.200 0.051 0.000 0.818 146 S HN 0.349 nan 8.310 nan 0.000 0.472 147 M N 0.931 120.539 119.600 0.014 0.000 2.175 147 M HA -0.075 4.396 4.480 -0.014 0.000 0.264 147 M C 2.454 178.758 176.300 0.007 0.000 1.063 147 M CA 1.329 56.634 55.300 0.009 0.000 1.119 147 M CB -0.506 32.081 32.600 -0.021 0.000 1.377 147 M HN 0.396 nan 8.290 nan 0.000 0.415 148 A N -0.128 122.693 122.820 0.001 0.000 1.898 148 A HA -0.118 4.194 4.320 -0.014 0.000 0.216 148 A C 2.169 179.769 177.584 0.027 0.000 1.181 148 A CA 2.021 54.062 52.037 0.007 0.000 0.620 148 A CB -1.073 17.914 19.000 -0.022 0.000 0.819 148 A HN 0.414 nan 8.150 nan 0.000 0.442 149 T N 0.356 114.931 114.554 0.034 0.000 2.833 149 T HA -0.023 4.319 4.350 -0.014 0.000 0.269 149 T C 1.355 176.085 174.700 0.051 0.000 1.054 149 T CA 1.221 63.354 62.100 0.056 0.000 1.135 149 T CB -0.283 68.625 68.868 0.066 0.000 0.869 149 T HN 0.341 nan 8.240 nan 0.000 0.466 150 L N 0.425 121.675 121.223 0.044 0.000 2.629 150 L HA 0.307 4.639 4.340 -0.014 0.000 0.230 150 L C 1.663 178.566 176.870 0.055 0.000 1.151 150 L CA -0.046 54.823 54.840 0.047 0.000 0.924 150 L CB -0.373 41.714 42.059 0.045 0.000 1.137 150 L HN 0.400 nan 8.230 nan 0.000 0.457 151 G N 0.977 109.813 108.800 0.061 0.000 2.225 151 G HA2 -0.287 3.665 3.960 -0.014 0.000 0.267 151 G HA3 -0.287 3.665 3.960 -0.014 0.000 0.267 151 G C 0.151 175.104 174.900 0.089 0.000 1.024 151 G CA 0.020 45.174 45.100 0.091 0.000 0.784 151 G HN 0.280 nan 8.290 nan 0.000 0.507 152 L N -0.127 121.117 121.223 0.035 0.000 2.395 152 L HA 0.589 4.920 4.340 -0.014 0.000 0.269 152 L C 1.274 178.032 176.870 -0.186 0.000 1.133 152 L CA -0.287 54.526 54.840 -0.045 0.000 0.812 152 L CB 1.421 43.466 42.059 -0.024 0.000 1.125 152 L HN 0.258 nan 8.230 nan 0.000 0.452 153 A N 2.947 125.511 122.820 -0.427 0.000 2.981 153 A HA 0.548 4.860 4.320 -0.014 0.000 0.280 153 A C 0.285 177.514 177.584 -0.593 0.000 1.743 153 A CA -0.134 51.356 52.037 -0.912 0.000 1.430 153 A CB -0.715 17.597 19.000 -1.147 0.000 1.085 153 A HN 0.696 nan 8.150 nan 0.000 0.597 154 A N 1.571 124.097 122.820 -0.490 0.000 2.350 154 A HA 0.796 5.108 4.320 -0.014 0.000 0.324 154 A C -1.040 176.285 177.584 -0.431 0.000 1.118 154 A CA -0.466 51.353 52.037 -0.365 0.000 0.783 154 A CB 0.812 19.673 19.000 -0.231 0.000 1.236 154 A HN 0.617 nan 8.150 nan 0.000 0.457 155 Y N 0.336 120.574 120.300 -0.103 0.000 2.391 155 Y HA 0.545 5.086 4.550 -0.014 0.000 0.341 155 Y C 0.834 176.833 175.900 0.165 0.000 0.965 155 Y CA -0.551 57.569 58.100 0.033 0.000 1.067 155 Y CB 2.460 41.038 38.460 0.197 0.000 1.199 155 Y HN 0.836 nan 8.280 nan 0.000 0.450 156 G N 2.155 111.053 108.800 0.164 0.000 2.338 156 G HA2 0.465 4.416 3.960 -0.014 0.000 0.298 156 G HA3 0.465 4.416 3.960 -0.014 0.000 0.298 156 G C -1.772 173.162 174.900 0.055 0.000 1.140 156 G CA -0.269 44.956 45.100 0.209 0.000 0.860 156 G HN 0.533 nan 8.290 nan 0.000 0.470 157 Y N 0.917 121.443 120.300 0.377 0.000 2.376 157 Y HA 0.633 5.175 4.550 -0.014 0.000 0.340 157 Y C 0.754 176.960 175.900 0.509 0.000 0.965 157 Y CA 0.191 58.481 58.100 0.317 0.000 1.078 157 Y CB 2.727 41.398 38.460 0.352 0.000 1.193 157 Y HN 0.883 nan 8.280 nan 0.000 0.452 158 G N 2.277 111.396 108.800 0.531 0.000 2.753 158 G HA2 0.583 4.534 3.960 -0.014 0.000 0.303 158 G HA3 0.583 4.534 3.960 -0.014 0.000 0.303 158 G C -1.778 173.361 174.900 0.397 0.000 1.242 158 G CA -0.830 44.611 45.100 0.568 0.000 0.810 158 G HN 0.434 nan 8.290 nan 0.000 0.515 159 I N 0.594 121.292 120.570 0.214 0.000 2.441 159 I HA 0.433 4.594 4.170 -0.014 0.000 0.295 159 I C 0.329 176.359 176.117 -0.145 0.000 0.994 159 I CA -0.721 60.591 61.300 0.021 0.000 1.144 159 I CB 2.200 40.014 38.000 -0.310 0.000 1.314 159 I HN 0.364 nan 8.210 nan 0.000 0.445 160 R N 6.172 126.689 120.500 0.029 0.000 2.608 160 R HA 0.221 4.552 4.340 -0.014 0.000 0.277 160 R C -1.253 175.106 176.300 0.099 0.000 1.341 160 R CA -0.425 55.724 56.100 0.082 0.000 1.199 160 R CB -0.062 30.271 30.300 0.054 0.000 1.156 160 R HN 0.401 nan 8.270 nan 0.000 0.558 161 Y N 1.549 122.021 120.300 0.288 0.000 2.511 161 Y HA -0.078 4.464 4.550 -0.014 0.000 0.332 161 Y C 1.580 177.671 175.900 0.317 0.000 1.177 161 Y CA 0.076 58.335 58.100 0.266 0.000 1.422 161 Y CB 0.801 39.397 38.460 0.226 0.000 1.271 161 Y HN 0.590 nan 8.280 nan 0.000 0.550 162 E N 2.101 122.495 120.200 0.323 0.000 2.106 162 E HA -0.084 4.258 4.350 -0.014 0.000 0.192 162 E C -0.723 175.767 176.600 -0.183 0.000 0.984 162 E CA 0.761 57.157 56.400 -0.006 0.000 0.806 162 E CB 0.165 29.797 29.700 -0.114 0.000 0.750 162 E HN 0.493 nan 8.360 nan 0.000 0.458 163 F N -0.346 119.815 119.950 0.351 0.000 2.477 163 F HA 0.438 4.957 4.527 -0.014 0.000 0.335 163 F C 0.782 176.677 175.800 0.159 0.000 1.130 163 F CA -0.820 57.347 58.000 0.277 0.000 0.948 163 F CB 1.844 40.934 39.000 0.151 0.000 1.154 163 F HN -0.114 nan 8.300 nan 0.000 0.439 164 G N 1.833 110.751 108.800 0.196 0.000 2.531 164 G HA2 0.344 4.296 3.960 -0.014 0.000 0.253 164 G HA3 0.344 4.296 3.960 -0.014 0.000 0.253 164 G C -0.532 174.335 174.900 -0.055 0.000 1.439 164 G CA -0.658 44.405 45.100 -0.062 0.000 1.056 164 G HN 0.532 nan 8.290 nan 0.000 0.555 165 I N 0.977 121.436 120.570 -0.185 0.000 2.752 165 I HA 0.201 4.363 4.170 -0.014 0.000 0.289 165 I C 0.552 176.569 176.117 -0.165 0.000 1.197 165 I CA -1.215 59.940 61.300 -0.241 0.000 1.432 165 I CB -0.378 37.379 38.000 -0.405 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.174 126.134 119.950 0.016 0.000 2.589 166 F HA 0.236 4.755 4.527 -0.014 0.000 0.352 166 F C 0.566 176.412 175.800 0.077 0.000 1.168 166 F CA -0.582 57.449 58.000 0.051 0.000 1.353 166 F CB -0.367 38.650 39.000 0.029 0.000 1.116 166 F HN 0.423 nan 8.300 nan 0.000 0.608 167 N N 2.221 121.094 118.700 0.290 0.000 2.497 167 N HA 0.044 4.775 4.740 -0.014 0.000 0.271 167 N C -0.769 174.977 175.510 0.392 0.000 1.142 167 N CA -0.249 52.947 53.050 0.244 0.000 0.965 167 N CB 1.124 39.734 38.487 0.205 0.000 1.077 167 N HN 0.749 nan 8.380 nan 0.000 0.462 168 Q N 2.416 122.419 119.800 0.339 0.000 2.278 168 Q HA 0.181 4.512 4.340 -0.014 0.000 0.257 168 Q C -0.954 175.211 176.000 0.274 0.000 0.928 168 Q CA -0.412 55.620 55.803 0.382 0.000 0.932 168 Q CB 0.712 29.681 28.738 0.385 0.000 1.221 168 Q HN 0.245 nan 8.270 nan 0.000 0.434 169 K N 4.152 124.688 120.400 0.226 0.000 2.259 169 K HA 0.469 4.780 4.320 -0.014 0.000 0.252 169 K C -0.663 176.031 176.600 0.157 0.000 0.936 169 K CA -0.922 55.477 56.287 0.186 0.000 0.810 169 K CB 1.598 34.186 32.500 0.147 0.000 1.143 169 K HN 0.619 nan 8.250 nan 0.000 0.427 170 I N 1.922 122.578 120.570 0.143 0.000 2.330 170 I HA 0.169 4.330 4.170 -0.014 0.000 0.289 170 I C -0.037 176.132 176.117 0.087 0.000 1.001 170 I CA -0.775 60.577 61.300 0.087 0.000 1.193 170 I CB 0.892 38.918 38.000 0.044 0.000 1.345 170 I HN 0.500 nan 8.210 nan 0.000 0.461 171 C N 5.333 124.695 119.300 0.103 0.000 2.344 171 C HA 0.648 5.099 4.460 -0.014 0.000 0.326 171 C C 1.132 176.220 174.990 0.164 0.000 1.201 171 C CA 0.295 59.381 59.018 0.112 0.000 1.410 171 C CB -0.151 27.650 27.740 0.102 0.000 2.070 171 C HN 1.119 nan 8.230 nan 0.000 0.445 172 G N 4.072 112.939 108.800 0.112 0.000 2.225 172 G HA2 0.102 4.053 3.960 -0.014 0.000 0.267 172 G HA3 0.102 4.053 3.960 -0.014 0.000 0.267 172 G C 1.238 176.135 174.900 -0.005 0.000 1.024 172 G CA 1.163 46.334 45.100 0.118 0.000 0.784 172 G HN 2.672 nan 8.290 nan 0.000 0.507 173 G N -2.920 105.825 108.800 -0.093 0.000 2.179 173 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.260 173 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.260 173 G C 0.323 174.971 174.900 -0.420 0.000 0.977 173 G CA 0.650 45.572 45.100 -0.297 0.000 0.641 173 G HN 1.213 nan 8.290 nan 0.000 0.533 174 W N 0.683 121.923 121.300 -0.099 0.000 2.551 174 W HA 0.652 5.304 4.660 -0.014 0.000 0.330 174 W C 0.625 177.084 176.519 -0.101 0.000 1.063 174 W CA -0.993 56.288 57.345 -0.108 0.000 1.222 174 W CB 0.918 30.333 29.460 -0.076 0.000 1.349 174 W HN 0.243 nan 8.180 nan 0.000 0.536 175 Q N 3.382 123.267 119.800 0.142 0.000 2.289 175 Q HA 0.144 4.476 4.340 -0.014 0.000 0.273 175 Q C -0.484 175.564 176.000 0.081 0.000 1.029 175 Q CA 0.326 56.185 55.803 0.093 0.000 0.896 175 Q CB 0.485 29.268 28.738 0.075 0.000 1.182 175 Q HN 0.314 nan 8.270 nan 0.000 0.385 176 M N 3.157 122.799 119.600 0.071 0.000 2.528 176 M HA 0.385 4.857 4.480 -0.014 0.000 0.321 176 M C -0.965 175.334 176.300 -0.001 0.000 1.153 176 M CA -0.693 54.616 55.300 0.014 0.000 0.951 176 M CB 1.766 34.388 32.600 0.037 0.000 1.705 176 M HN 0.589 nan 8.290 nan 0.000 0.451 177 E N 1.131 121.261 120.200 -0.115 0.000 2.191 177 E HA 0.491 4.833 4.350 -0.014 0.000 0.278 177 E C -1.005 175.587 176.600 -0.014 0.000 0.972 177 E CA -0.385 55.916 56.400 -0.166 0.000 0.804 177 E CB 1.724 31.073 29.700 -0.585 0.000 1.110 177 E HN 0.398 nan 8.360 nan 0.000 0.394 178 E N 0.894 121.167 120.200 0.121 0.000 2.266 178 E HA 0.566 4.907 4.350 -0.014 0.000 0.268 178 E C -1.022 175.673 176.600 0.159 0.000 0.879 178 E CA -1.205 55.261 56.400 0.110 0.000 0.762 178 E CB 1.856 31.633 29.700 0.129 0.000 1.199 178 E HN 0.604 nan 8.360 nan 0.000 0.422 179 A N 2.381 125.258 122.820 0.094 0.000 2.546 179 A HA -0.030 4.282 4.320 -0.014 0.000 0.243 179 A C -0.020 177.743 177.584 0.298 0.000 1.063 179 A CA 0.259 52.372 52.037 0.127 0.000 0.757 179 A CB -0.015 18.952 19.000 -0.055 0.000 0.991 179 A HN 0.595 nan 8.150 nan 0.000 0.503 180 D N 1.792 122.439 120.400 0.412 0.000 2.494 180 D HA 0.214 4.845 4.640 -0.014 0.000 0.217 180 D C -0.520 176.065 176.300 0.475 0.000 1.153 180 D CA -0.222 54.002 54.000 0.373 0.000 0.954 180 D CB 0.368 41.325 40.800 0.261 0.000 1.034 180 D HN 0.371 nan 8.370 nan 0.000 0.518 181 D N 3.778 124.398 120.400 0.365 0.000 2.713 181 D HA -0.007 4.624 4.640 -0.014 0.000 0.229 181 D C 1.079 177.399 176.300 0.033 0.000 1.136 181 D CA -0.590 53.483 54.000 0.123 0.000 1.010 181 D CB -0.138 40.762 40.800 0.167 0.000 1.084 181 D HN 0.558 nan 8.370 nan 0.000 0.495 182 W N 2.125 123.371 121.300 -0.090 0.000 2.595 182 W HA -0.005 4.647 4.660 -0.014 0.000 0.257 182 W C 0.088 176.587 176.519 -0.033 0.000 1.267 182 W CA 0.065 57.396 57.345 -0.023 0.000 1.300 182 W CB -0.663 28.815 29.460 0.029 0.000 1.120 182 W HN 0.174 nan 8.180 nan 0.000 0.618 183 L N 1.071 121.845 121.223 -0.748 0.000 2.607 183 L HA 0.196 4.527 4.340 -0.014 0.000 0.228 183 L C 2.739 179.372 176.870 -0.396 0.000 1.123 183 L CA -0.025 54.371 54.840 -0.741 0.000 0.890 183 L CB -0.615 40.908 42.059 -0.894 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.526 120.804 120.500 -0.371 0.000 2.096 184 R HA -0.226 4.106 4.340 -0.014 0.000 0.240 184 R C 1.473 177.578 176.300 -0.325 0.000 1.139 184 R CA 2.077 57.931 56.100 -0.410 0.000 0.952 184 R CB -0.150 29.778 30.300 -0.621 0.000 0.854 184 R HN 0.286 nan 8.270 nan 0.000 0.436 185 Y N -0.662 119.661 120.300 0.038 0.000 2.466 185 Y HA 0.362 4.904 4.550 -0.014 0.000 0.272 185 Y C 0.817 176.752 175.900 0.058 0.000 1.169 185 Y CA 0.355 58.524 58.100 0.115 0.000 1.285 185 Y CB 0.486 39.130 38.460 0.306 0.000 1.078 185 Y HN 0.380 nan 8.280 nan 0.000 0.523 186 G N 1.282 110.128 108.800 0.078 0.000 2.712 186 G HA2 -0.200 3.752 3.960 -0.014 0.000 0.686 186 G HA3 -0.200 3.752 3.960 -0.014 0.000 0.686 186 G C -1.214 173.723 174.900 0.063 0.000 1.181 186 G CA -0.919 44.165 45.100 -0.026 0.000 0.762 186 G HN 0.257 nan 8.290 nan 0.000 0.641 187 N N 2.147 120.826 118.700 -0.035 0.000 2.511 187 N HA 0.585 5.316 4.740 -0.014 0.000 0.249 187 N C -0.474 175.025 175.510 -0.018 0.000 0.971 187 N CA -2.167 50.903 53.050 0.033 0.000 0.938 187 N CB 1.823 40.262 38.487 -0.080 0.000 1.131 187 N HN 0.240 nan 8.380 nan 0.000 0.505 188 P HA 0.011 nan 4.420 nan 0.000 0.233 188 P C 0.219 177.211 177.300 -0.512 0.000 1.167 188 P CA 0.762 63.572 63.100 -0.482 0.000 0.770 188 P CB 0.001 31.233 31.700 -0.780 0.000 0.837 189 W N 1.847 123.176 121.300 0.048 0.000 3.388 189 W HA 0.164 4.816 4.660 -0.014 0.000 0.324 189 W C 0.798 177.367 176.519 0.084 0.000 1.250 189 W CA -0.611 56.760 57.345 0.043 0.000 1.809 189 W CB 0.021 29.519 29.460 0.064 0.000 1.083 189 W HN 0.071 nan 8.180 nan 0.000 0.685 190 E N 0.752 121.103 120.200 0.253 0.000 2.299 190 E HA 0.597 4.939 4.350 -0.014 0.000 0.265 190 E C -0.993 175.757 176.600 0.249 0.000 0.911 190 E CA -1.280 55.288 56.400 0.279 0.000 0.789 190 E CB 1.930 31.797 29.700 0.279 0.000 1.246 190 E HN -0.273 nan 8.360 nan 0.000 0.427 191 K N 1.300 121.861 120.400 0.270 0.000 2.545 191 K HA 0.474 4.786 4.320 -0.014 0.000 0.252 191 K C -1.252 175.363 176.600 0.026 0.000 0.948 191 K CA -0.408 55.967 56.287 0.145 0.000 0.827 191 K CB 1.702 34.276 32.500 0.124 0.000 1.128 191 K HN 0.702 nan 8.250 nan 0.000 0.429 192 A N 4.232 126.984 122.820 -0.113 0.000 2.511 192 A HA 0.355 4.666 4.320 -0.014 0.000 0.242 192 A C -0.342 177.069 177.584 -0.288 0.000 1.069 192 A CA -0.091 51.652 52.037 -0.491 0.000 0.763 192 A CB 0.198 18.872 19.000 -0.544 0.000 1.001 192 A HN 0.665 nan 8.150 nan 0.000 0.498 193 R N 3.401 123.729 120.500 -0.286 0.000 2.724 193 R HA 0.210 4.541 4.340 -0.014 0.000 0.284 193 R C -2.404 173.822 176.300 -0.124 0.000 1.481 193 R CA -1.697 54.323 56.100 -0.134 0.000 1.652 193 R CB 0.776 31.096 30.300 0.033 0.000 1.175 193 R HN 0.569 nan 8.270 nan 0.000 0.613 194 P HA -0.187 nan 4.420 nan 0.000 0.220 194 P C 0.960 178.187 177.300 -0.121 0.000 1.148 194 P CA 1.142 64.172 63.100 -0.116 0.000 0.803 194 P CB 0.359 31.992 31.700 -0.113 0.000 0.782 195 E N -0.353 119.694 120.200 -0.254 0.000 2.409 195 E HA -0.131 4.211 4.350 -0.014 0.000 0.198 195 E C 0.487 176.843 176.600 -0.406 0.000 1.024 195 E CA 0.788 56.960 56.400 -0.380 0.000 0.861 195 E CB -0.740 28.616 29.700 -0.573 0.000 0.788 195 E HN 0.255 nan 8.360 nan 0.000 0.521 196 F N 1.764 121.728 119.950 0.022 0.000 2.684 196 F HA 0.258 4.776 4.527 -0.014 0.000 0.298 196 F C 0.346 176.246 175.800 0.168 0.000 1.120 196 F CA -0.525 57.526 58.000 0.085 0.000 1.332 196 F CB 0.222 39.271 39.000 0.082 0.000 0.986 196 F HN -0.286 nan 8.300 nan 0.000 0.524 197 T N 3.067 117.760 114.554 0.231 0.000 2.902 197 T HA 0.299 4.641 4.350 -0.014 0.000 0.301 197 T C -0.249 174.552 174.700 0.169 0.000 1.012 197 T CA 0.375 62.605 62.100 0.218 0.000 1.151 197 T CB 0.672 69.614 68.868 0.124 0.000 0.946 197 T HN -0.158 nan 8.240 nan 0.000 0.542 198 L N 5.656 126.954 121.223 0.124 0.000 2.388 198 L HA 0.579 4.911 4.340 -0.014 0.000 0.264 198 L C -2.313 174.525 176.870 -0.054 0.000 0.998 198 L CA -2.622 52.225 54.840 0.012 0.000 0.817 198 L CB 2.090 44.093 42.059 -0.093 0.000 1.338 198 L HN 0.372 nan 8.230 nan 0.000 0.414 199 P HA 0.395 nan 4.420 nan 0.000 0.288 199 P C -1.160 176.022 177.300 -0.197 0.000 1.267 199 P CA -0.394 62.632 63.100 -0.124 0.000 0.815 199 P CB 1.642 33.266 31.700 -0.128 0.000 0.989 200 V N 3.932 123.712 119.914 -0.224 0.000 2.604 200 V HA 0.330 4.441 4.120 -0.014 0.000 0.305 200 V C 0.196 176.071 176.094 -0.366 0.000 1.043 200 V CA -0.614 61.538 62.300 -0.246 0.000 0.888 200 V CB 1.380 33.100 31.823 -0.171 0.000 0.995 200 V HN 0.595 nan 8.190 nan 0.000 0.429 201 H N 3.789 122.695 119.070 -0.273 0.000 2.463 201 H HA 0.621 5.169 4.556 -0.014 0.000 0.332 201 H C -1.291 173.757 175.328 -0.467 0.000 1.127 201 H CA -0.116 55.700 56.048 -0.388 0.000 1.238 201 H CB 1.870 31.174 29.762 -0.764 0.000 1.478 201 H HN 0.483 nan 8.280 nan 0.000 0.499 202 F N 0.347 120.368 119.950 0.118 0.000 2.613 202 F HA 0.211 4.729 4.527 -0.014 0.000 0.314 202 F C -0.285 175.645 175.800 0.216 0.000 1.075 202 F CA -0.573 57.501 58.000 0.123 0.000 0.945 202 F CB 1.085 40.056 39.000 -0.049 0.000 1.310 202 F HN 0.554 nan 8.300 nan 0.000 0.467 203 Y N 0.157 120.759 120.300 0.504 0.000 2.904 203 Y HA 0.001 4.543 4.550 -0.014 0.000 0.466 203 Y C 1.356 177.507 175.900 0.418 0.000 1.202 203 Y CA 0.669 58.981 58.100 0.353 0.000 2.492 203 Y CB -1.895 36.704 38.460 0.231 0.000 1.237 203 Y HN 1.306 nan 8.280 nan 0.000 0.633 204 G N 0.663 109.740 108.800 0.462 0.000 2.593 204 G HA2 0.108 4.060 3.960 -0.014 0.000 0.237 204 G HA3 0.108 4.060 3.960 -0.014 0.000 0.237 204 G C -0.519 174.592 174.900 0.352 0.000 1.312 204 G CA 1.125 46.422 45.100 0.328 0.000 0.896 204 G HN 1.408 nan 8.290 nan 0.000 0.574 205 R N -2.721 117.986 120.500 0.345 0.000 2.733 205 R HA 0.690 5.022 4.340 -0.014 0.000 0.272 205 R C -1.474 174.964 176.300 0.229 0.000 1.029 205 R CA -0.970 55.274 56.100 0.239 0.000 0.888 205 R CB 1.215 31.602 30.300 0.145 0.000 1.251 205 R HN 0.926 nan 8.270 nan 0.000 0.464 206 V N 1.110 121.074 119.914 0.084 0.000 2.398 206 V HA 0.352 4.464 4.120 -0.014 0.000 0.286 206 V C -0.225 175.806 176.094 -0.105 0.000 1.026 206 V CA -0.549 61.730 62.300 -0.035 0.000 0.868 206 V CB 1.323 33.054 31.823 -0.154 0.000 0.982 206 V HN 0.669 nan 8.190 nan 0.000 0.443 207 E N 3.201 123.325 120.200 -0.126 0.000 2.179 207 E HA 0.433 4.775 4.350 -0.014 0.000 0.275 207 E C -0.960 175.490 176.600 -0.249 0.000 0.945 207 E CA -0.728 55.603 56.400 -0.115 0.000 0.792 207 E CB 1.236 30.924 29.700 -0.020 0.000 1.125 207 E HN 0.668 nan 8.360 nan 0.000 0.397 208 H N 2.121 121.206 119.070 0.024 0.000 2.556 208 H HA 0.182 4.730 4.556 -0.014 0.000 0.310 208 H C 0.228 175.565 175.328 0.015 0.000 1.057 208 H CA -0.309 55.748 56.048 0.016 0.000 1.264 208 H CB 1.069 30.836 29.762 0.008 0.000 1.404 208 H HN 0.570 nan 8.280 nan 0.000 0.462 209 T N -0.572 114.041 114.554 0.098 0.000 2.892 209 T HA 0.167 4.508 4.350 -0.014 0.000 0.280 209 T C 1.482 176.220 174.700 0.064 0.000 1.004 209 T CA -0.648 61.492 62.100 0.066 0.000 0.950 209 T CB 0.809 69.700 68.868 0.038 0.000 1.309 209 T HN 0.380 nan 8.240 nan 0.000 0.592 210 S N -0.085 115.641 115.700 0.043 0.000 2.382 210 S HA -0.081 4.381 4.470 -0.014 0.000 0.228 210 S C 1.360 175.981 174.600 0.035 0.000 1.027 210 S CA 0.876 59.096 58.200 0.034 0.000 0.991 210 S CB -0.467 62.748 63.200 0.025 0.000 0.823 210 S HN 0.706 nan 8.310 nan 0.000 0.469 211 Q N 1.255 121.075 119.800 0.034 0.000 2.823 211 Q HA 0.486 4.817 4.340 -0.014 0.000 0.370 211 Q C 0.532 176.554 176.000 0.037 0.000 1.110 211 Q CA 0.110 55.931 55.803 0.032 0.000 0.990 211 Q CB -0.483 28.270 28.738 0.024 0.000 1.383 211 Q HN 0.491 nan 8.270 nan 0.000 0.430 212 G N 0.201 109.033 108.800 0.053 0.000 2.741 212 G HA2 -0.076 3.875 3.960 -0.014 0.000 0.222 212 G HA3 -0.076 3.875 3.960 -0.014 0.000 0.222 212 G C -0.466 174.470 174.900 0.060 0.000 1.364 212 G CA -0.601 44.539 45.100 0.068 0.000 0.866 212 G HN 0.765 nan 8.290 nan 0.000 0.555 213 A N -0.040 122.803 122.820 0.038 0.000 2.322 213 A HA 0.722 5.033 4.320 -0.014 0.000 0.269 213 A C 0.370 177.918 177.584 -0.060 0.000 1.094 213 A CA 0.238 52.229 52.037 -0.076 0.000 0.807 213 A CB 0.713 19.642 19.000 -0.118 0.000 1.047 213 A HN 0.731 nan 8.150 nan 0.000 0.487 214 K N 0.746 121.098 120.400 -0.081 0.000 2.482 214 K HA 0.192 4.504 4.320 -0.014 0.000 0.251 214 K C -1.916 174.723 176.600 0.065 0.000 0.936 214 K CA -0.233 56.050 56.287 -0.006 0.000 0.791 214 K CB 2.135 34.630 32.500 -0.007 0.000 1.213 214 K HN 0.762 nan 8.250 nan 0.000 0.428 215 W N 5.230 126.453 121.300 -0.129 0.000 2.291 215 W HA 0.381 5.033 4.660 -0.014 0.000 0.312 215 W C -0.595 175.869 176.519 -0.091 0.000 1.061 215 W CA -0.910 56.365 57.345 -0.116 0.000 1.296 215 W CB 0.165 29.542 29.460 -0.139 0.000 1.223 215 W HN 0.291 nan 8.180 nan 0.000 0.421 216 V N 2.847 122.813 119.914 0.086 0.000 3.126 216 V HA 0.627 4.738 4.120 -0.014 0.000 0.314 216 V C -0.263 175.811 176.094 -0.033 0.000 1.138 216 V CA -0.941 61.336 62.300 -0.037 0.000 1.034 216 V CB 2.009 33.838 31.823 0.011 0.000 1.075 216 V HN 0.471 nan 8.190 nan 0.000 0.442 217 D N 0.213 120.594 120.400 -0.031 0.000 2.800 217 D HA -0.132 4.499 4.640 -0.014 0.000 0.232 217 D C 0.489 176.800 176.300 0.018 0.000 1.137 217 D CA 1.529 55.535 54.000 0.009 0.000 0.718 217 D CB -1.597 39.230 40.800 0.044 0.000 1.084 217 D HN 1.336 nan 8.370 nan 0.000 0.432 218 T N -2.846 111.679 114.554 -0.048 0.000 2.899 218 T HA 0.522 4.863 4.350 -0.014 0.000 0.284 218 T C 0.464 175.221 174.700 0.095 0.000 1.004 218 T CA -0.787 61.300 62.100 -0.022 0.000 1.043 218 T CB 1.929 70.644 68.868 -0.256 0.000 1.013 218 T HN 0.044 nan 8.240 nan 0.000 0.518 219 Q N 0.542 120.467 119.800 0.209 0.000 2.235 219 Q HA 0.581 4.913 4.340 -0.014 0.000 0.250 219 Q C -0.937 175.184 176.000 0.202 0.000 0.909 219 Q CA -0.870 55.079 55.803 0.244 0.000 0.910 219 Q CB 1.806 30.771 28.738 0.378 0.000 1.223 219 Q HN 0.511 nan 8.270 nan 0.000 0.432 220 V N 2.899 122.896 119.914 0.139 0.000 2.459 220 V HA 0.436 4.547 4.120 -0.014 0.000 0.295 220 V C -0.403 175.768 176.094 0.128 0.000 1.029 220 V CA -0.669 61.625 62.300 -0.010 0.000 0.874 220 V CB 1.761 33.514 31.823 -0.117 0.000 0.985 220 V HN 0.490 nan 8.190 nan 0.000 0.438 221 V N 5.817 125.815 119.914 0.139 0.000 2.604 221 V HA 0.497 4.608 4.120 -0.014 0.000 0.305 221 V C -0.164 176.016 176.094 0.144 0.000 1.043 221 V CA -0.663 61.729 62.300 0.154 0.000 0.888 221 V CB 1.947 33.928 31.823 0.264 0.000 0.995 221 V HN 0.645 nan 8.190 nan 0.000 0.429 222 L N 3.410 124.708 121.223 0.126 0.000 2.375 222 L HA 0.737 5.068 4.340 -0.014 0.000 0.271 222 L C 0.460 177.503 176.870 0.288 0.000 1.107 222 L CA -0.277 54.648 54.840 0.140 0.000 0.806 222 L CB 1.187 43.309 42.059 0.104 0.000 1.146 222 L HN 0.759 nan 8.230 nan 0.000 0.447 223 A N 4.843 127.788 122.820 0.208 0.000 2.267 223 A HA 0.608 4.919 4.320 -0.014 0.000 0.315 223 A C -0.537 177.316 177.584 0.448 0.000 1.297 223 A CA -0.452 51.747 52.037 0.270 0.000 0.865 223 A CB 0.938 19.663 19.000 -0.458 0.000 1.165 223 A HN 0.771 nan 8.150 nan 0.000 0.513 224 M N 5.704 125.623 119.600 0.530 0.000 2.149 224 M HA 0.447 4.918 4.480 -0.014 0.000 0.342 224 M C -2.610 173.929 176.300 0.398 0.000 1.068 224 M CA -2.216 53.326 55.300 0.404 0.000 0.991 224 M CB 2.231 34.979 32.600 0.247 0.000 1.596 224 M HN 0.367 nan 8.290 nan 0.000 0.439 225 P HA 0.273 nan 4.420 nan 0.000 0.288 225 P C -1.925 175.260 177.300 -0.192 0.000 1.267 225 P CA -0.068 62.890 63.100 -0.236 0.000 0.815 225 P CB 0.589 31.945 31.700 -0.573 0.000 0.989 226 Y N 0.426 120.647 120.300 -0.132 0.000 2.350 226 Y HA 0.344 4.886 4.550 -0.014 0.000 0.338 226 Y C 0.321 176.190 175.900 -0.051 0.000 0.961 226 Y CA -0.315 57.761 58.100 -0.039 0.000 1.100 226 Y CB 1.336 39.808 38.460 0.020 0.000 1.179 226 Y HN 0.216 nan 8.280 nan 0.000 0.454 227 D N 1.734 122.221 120.400 0.146 0.000 2.168 227 D HA 0.404 5.035 4.640 -0.014 0.000 0.246 227 D C -0.637 175.875 176.300 0.354 0.000 1.050 227 D CA -0.205 53.918 54.000 0.204 0.000 0.857 227 D CB 1.739 42.671 40.800 0.220 0.000 1.169 227 D HN 0.393 nan 8.370 nan 0.000 0.453 228 T N 3.243 117.938 114.554 0.234 0.000 2.824 228 T HA 0.468 4.810 4.350 -0.014 0.000 0.282 228 T C -2.510 172.108 174.700 -0.137 0.000 0.993 228 T CA -1.451 60.715 62.100 0.110 0.000 0.967 228 T CB 2.063 70.969 68.868 0.064 0.000 0.960 228 T HN 0.175 nan 8.240 nan 0.000 0.441 229 P HA 0.331 nan 4.420 nan 0.000 0.275 229 P C -1.022 175.977 177.300 -0.502 0.000 1.228 229 P CA -0.419 62.078 63.100 -1.005 0.000 0.786 229 P CB 0.871 31.701 31.700 -1.451 0.000 0.927 230 V N 4.858 124.523 119.914 -0.416 0.000 2.305 230 V HA 0.261 4.373 4.120 -0.014 0.000 0.275 230 V C -2.113 173.847 176.094 -0.224 0.000 1.020 230 V CA -1.906 60.240 62.300 -0.258 0.000 0.811 230 V CB 1.306 33.026 31.823 -0.172 0.000 1.031 230 V HN 0.543 nan 8.190 nan 0.000 0.439 231 P HA 0.276 nan 4.420 nan 0.000 0.280 231 P C 0.391 177.641 177.300 -0.084 0.000 1.244 231 P CA 0.293 63.300 63.100 -0.153 0.000 0.784 231 P CB 1.548 33.157 31.700 -0.153 0.000 0.913 232 G N 2.196 110.965 108.800 -0.051 0.000 2.599 232 G HA2 0.121 4.073 3.960 -0.014 0.000 0.264 232 G HA3 0.121 4.073 3.960 -0.014 0.000 0.264 232 G C -1.142 173.773 174.900 0.025 0.000 1.200 232 G CA -0.557 44.543 45.100 0.000 0.000 0.896 232 G HN 0.516 nan 8.290 nan 0.000 0.536 233 Y N 1.048 121.312 120.300 -0.059 0.000 2.624 233 Y HA 0.239 4.781 4.550 -0.014 0.000 0.354 233 Y C 1.342 177.208 175.900 -0.056 0.000 1.051 233 Y CA -0.161 57.900 58.100 -0.065 0.000 1.377 233 Y CB -0.126 38.294 38.460 -0.067 0.000 1.168 233 Y HN 0.735 nan 8.280 nan 0.000 0.525 234 R N 3.025 123.270 120.500 -0.426 0.000 3.627 234 R HA -0.322 4.009 4.340 -0.014 0.000 0.281 234 R C 0.051 176.232 176.300 -0.198 0.000 1.140 234 R CA 1.334 57.195 56.100 -0.399 0.000 0.761 234 R CB -2.188 27.710 30.300 -0.669 0.000 1.181 234 R HN 0.949 nan 8.270 nan 0.000 0.472 235 N N -0.696 117.935 118.700 -0.115 0.000 2.177 235 N HA 0.045 4.777 4.740 -0.014 0.000 0.218 235 N C -0.098 175.375 175.510 -0.060 0.000 1.182 235 N CA -0.499 52.513 53.050 -0.064 0.000 0.882 235 N CB 0.476 38.950 38.487 -0.021 0.000 1.052 235 N HN 0.086 nan 8.380 nan 0.000 0.519 236 N N -0.134 118.524 118.700 -0.070 0.000 2.713 236 N HA -0.138 4.594 4.740 -0.014 0.000 0.251 236 N C -0.898 174.581 175.510 -0.052 0.000 1.117 236 N CA 0.624 53.640 53.050 -0.057 0.000 0.770 236 N CB -1.341 37.113 38.487 -0.054 0.000 1.137 236 N HN 0.201 nan 8.380 nan 0.000 0.566 237 V N 1.066 120.954 119.914 -0.044 0.000 2.509 237 V HA 0.413 4.525 4.120 -0.014 0.000 0.284 237 V C 0.660 176.726 176.094 -0.045 0.000 1.047 237 V CA -0.462 61.819 62.300 -0.031 0.000 0.952 237 V CB 2.114 33.945 31.823 0.012 0.000 0.988 237 V HN -0.027 nan 8.190 nan 0.000 0.469 238 V N 5.217 125.106 119.914 -0.042 0.000 2.419 238 V HA 0.437 4.548 4.120 -0.014 0.000 0.287 238 V C -0.141 175.930 176.094 -0.039 0.000 1.017 238 V CA -0.856 61.374 62.300 -0.116 0.000 0.844 238 V CB 1.471 33.172 31.823 -0.204 0.000 1.011 238 V HN 0.844 nan 8.190 nan 0.000 0.429 239 N N 1.926 120.583 118.700 -0.071 0.000 2.448 239 N HA 0.573 5.304 4.740 -0.014 0.000 0.274 239 N C -0.061 175.436 175.510 -0.022 0.000 1.239 239 N CA -0.309 52.730 53.050 -0.018 0.000 0.982 239 N CB 1.288 39.730 38.487 -0.075 0.000 1.199 239 N HN 0.579 nan 8.380 nan 0.000 0.576 240 T N 0.779 115.338 114.554 0.007 0.000 2.829 240 T HA 0.399 4.741 4.350 -0.014 0.000 0.280 240 T C -0.215 174.462 174.700 -0.040 0.000 0.999 240 T CA -0.509 61.662 62.100 0.119 0.000 0.983 240 T CB 1.036 70.083 68.868 0.299 0.000 0.968 240 T HN 0.296 nan 8.240 nan 0.000 0.446 241 M N 3.790 123.333 119.600 -0.095 0.000 2.101 241 M HA 0.503 4.974 4.480 -0.014 0.000 0.340 241 M C -0.507 175.649 176.300 -0.239 0.000 1.057 241 M CA -0.740 54.414 55.300 -0.243 0.000 0.984 241 M CB 0.744 33.140 32.600 -0.340 0.000 1.560 241 M HN 0.482 nan 8.290 nan 0.000 0.435 242 R N 5.946 126.191 120.500 -0.425 0.000 2.265 242 R HA 0.627 4.959 4.340 -0.014 0.000 0.328 242 R C -1.945 174.058 176.300 -0.496 0.000 0.969 242 R CA -0.428 55.366 56.100 -0.511 0.000 0.832 242 R CB 0.890 30.701 30.300 -0.815 0.000 1.139 242 R HN 0.817 nan 8.270 nan 0.000 0.457 243 L N 4.973 126.012 121.223 -0.307 0.000 2.341 243 L HA 0.511 4.843 4.340 -0.014 0.000 0.278 243 L C -0.861 175.959 176.870 -0.083 0.000 1.005 243 L CA -0.922 53.840 54.840 -0.130 0.000 0.818 243 L CB 1.574 43.648 42.059 0.025 0.000 1.259 243 L HN 0.586 nan 8.230 nan 0.000 0.418 244 W N 1.772 123.191 121.300 0.198 0.000 2.365 244 W HA 0.505 5.156 4.660 -0.014 0.000 0.316 244 W C 0.505 177.251 176.519 0.379 0.000 1.164 244 W CA -0.242 57.247 57.345 0.240 0.000 1.204 244 W CB 1.592 31.064 29.460 0.020 0.000 1.213 244 W HN 0.339 nan 8.180 nan 0.000 0.539 245 S N 1.851 117.958 115.700 0.678 0.000 2.503 245 S HA 0.791 5.253 4.470 -0.014 0.000 0.301 245 S C -0.510 174.423 174.600 0.555 0.000 1.087 245 S CA -0.708 57.793 58.200 0.501 0.000 1.042 245 S CB 0.708 64.149 63.200 0.402 0.000 1.043 245 S HN 0.529 nan 8.310 nan 0.000 0.489 246 A N 4.703 127.683 122.820 0.266 0.000 2.328 246 A HA 0.673 4.985 4.320 -0.014 0.000 0.284 246 A C -0.185 177.449 177.584 0.084 0.000 1.160 246 A CA -0.355 51.727 52.037 0.076 0.000 0.818 246 A CB 0.387 19.157 19.000 -0.384 0.000 1.087 246 A HN 0.679 nan 8.150 nan 0.000 0.504 247 K N 1.209 121.671 120.400 0.103 0.000 2.468 247 K HA 0.587 4.899 4.320 -0.014 0.000 0.252 247 K C -0.493 176.086 176.600 -0.035 0.000 0.932 247 K CA -0.448 55.863 56.287 0.041 0.000 0.794 247 K CB 2.284 34.840 32.500 0.094 0.000 1.241 247 K HN 0.846 nan 8.250 nan 0.000 0.428 248 A N 4.197 126.935 122.820 -0.135 0.000 2.425 248 A HA 0.432 4.743 4.320 -0.014 0.000 0.249 248 A C -2.130 175.417 177.584 -0.061 0.000 1.084 248 A CA -0.926 50.957 52.037 -0.257 0.000 0.781 248 A CB -0.358 18.349 19.000 -0.489 0.000 1.019 248 A HN 0.323 nan 8.150 nan 0.000 0.490 249 P HA 0.133 nan 4.420 nan 0.000 0.272 249 P C 0.155 177.531 177.300 0.126 0.000 1.240 249 P CA -0.449 62.704 63.100 0.089 0.000 0.791 249 P CB 0.533 32.306 31.700 0.121 0.000 0.978 250 N N 0.844 119.604 118.700 0.100 0.000 2.396 250 N HA -0.114 4.617 4.740 -0.014 0.000 0.180 250 N C 0.725 176.308 175.510 0.122 0.000 1.028 250 N CA 1.089 54.199 53.050 0.101 0.000 0.893 250 N CB -0.481 38.051 38.487 0.074 0.000 0.967 250 N HN 0.560 nan 8.380 nan 0.000 0.440 251 D N -0.781 119.693 120.400 0.123 0.000 2.328 251 D HA -0.065 4.566 4.640 -0.014 0.000 0.221 251 D C 0.140 176.513 176.300 0.121 0.000 1.072 251 D CA -0.537 53.526 54.000 0.105 0.000 0.850 251 D CB -0.958 39.885 40.800 0.072 0.000 0.922 251 D HN 0.061 nan 8.370 nan 0.000 0.516 252 F N 2.005 121.969 119.950 0.023 0.000 2.590 252 F HA 0.061 4.579 4.527 -0.014 0.000 0.389 252 F C 0.626 176.432 175.800 0.009 0.000 1.049 252 F CA 0.266 58.276 58.000 0.017 0.000 1.199 252 F CB 0.025 39.035 39.000 0.018 0.000 1.058 252 F HN -0.138 nan 8.300 nan 0.000 0.556 253 N N 2.974 121.338 118.700 -0.560 0.000 2.708 253 N HA -0.260 4.472 4.740 -0.014 0.000 0.251 253 N C -0.963 174.470 175.510 -0.128 0.000 1.123 253 N CA 1.331 54.156 53.050 -0.374 0.000 0.739 253 N CB -1.244 37.050 38.487 -0.323 0.000 1.113 253 N HN 0.563 nan 8.380 nan 0.000 0.561 262 Y N 1.588 121.892 120.300 0.006 0.000 2.097 262 Y HA -0.033 4.509 4.550 -0.014 0.000 0.282 262 Y C 2.721 178.632 175.900 0.019 0.000 1.152 262 Y CA 2.316 60.424 58.100 0.012 0.000 1.136 262 Y CB -0.113 38.354 38.460 0.012 0.000 0.975 262 Y HN 0.196 nan 8.280 nan 0.000 0.498 263 I N 0.469 120.988 120.570 -0.086 0.000 2.179 263 I HA -0.292 3.870 4.170 -0.014 0.000 0.242 263 I C 2.380 178.402 176.117 -0.159 0.000 1.088 263 I CA 1.721 62.916 61.300 -0.175 0.000 1.357 263 I CB -1.487 36.513 38.000 0.001 0.000 1.051 263 I HN 0.330 nan 8.210 nan 0.000 0.409 264 Q N 1.135 120.890 119.800 -0.075 0.000 2.096 264 Q HA -0.121 4.210 4.340 -0.014 0.000 0.204 264 Q C 2.244 178.209 176.000 -0.059 0.000 0.982 264 Q CA 2.269 58.043 55.803 -0.049 0.000 0.850 264 Q CB -0.386 28.340 28.738 -0.019 0.000 0.901 264 Q HN 0.480 nan 8.270 nan 0.000 0.422 265 A N -0.810 121.958 122.820 -0.087 0.000 1.902 265 A HA -0.139 4.173 4.320 -0.014 0.000 0.217 265 A C 2.254 179.805 177.584 -0.056 0.000 1.181 265 A CA 1.683 53.680 52.037 -0.067 0.000 0.623 265 A CB -0.784 18.176 19.000 -0.067 0.000 0.818 265 A HN 0.265 nan 8.150 nan 0.000 0.443 266 V N 0.229 120.029 119.914 -0.189 0.000 2.358 266 V HA -0.239 3.872 4.120 -0.014 0.000 0.246 266 V C 2.521 178.580 176.094 -0.058 0.000 1.047 266 V CA 1.861 64.068 62.300 -0.155 0.000 1.035 266 V CB -0.793 30.841 31.823 -0.315 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.164 121.023 121.223 -0.061 0.000 2.131 267 L HA -0.154 4.177 4.340 -0.014 0.000 0.210 267 L C 2.036 178.919 176.870 0.021 0.000 1.092 267 L CA 1.257 56.086 54.840 -0.019 0.000 0.759 267 L CB -0.710 41.336 42.059 -0.020 0.000 0.903 267 L HN 0.334 nan 8.230 nan 0.000 0.435 268 D N 0.038 120.470 120.400 0.052 0.000 2.371 268 D HA -0.077 4.554 4.640 -0.014 0.000 0.221 268 D C 2.141 178.569 176.300 0.213 0.000 0.986 268 D CA 0.468 54.542 54.000 0.123 0.000 0.899 268 D CB -0.004 40.872 40.800 0.127 0.000 0.902 268 D HN 0.239 nan 8.370 nan 0.000 0.530 269 R N 0.313 120.898 120.500 0.141 0.000 2.159 269 R HA -0.069 4.263 4.340 -0.014 0.000 0.237 269 R C 1.728 177.958 176.300 -0.117 0.000 1.131 269 R CA 0.915 56.998 56.100 -0.028 0.000 0.982 269 R CB -0.285 29.995 30.300 -0.033 0.000 0.868 269 R HN 0.342 nan 8.270 nan 0.000 0.453 270 N N 0.303 118.986 118.700 -0.028 0.000 2.192 270 N HA -0.203 4.528 4.740 -0.014 0.000 0.188 270 N C 1.215 176.706 175.510 -0.033 0.000 1.013 270 N CA 0.819 53.855 53.050 -0.024 0.000 0.863 270 N CB -0.105 38.385 38.487 0.006 0.000 0.990 270 N HN 0.023 nan 8.380 nan 0.000 0.430 271 L N 1.027 122.247 121.223 -0.005 0.000 2.017 271 L HA -0.110 4.222 4.340 -0.014 0.000 0.208 271 L C 2.471 179.306 176.870 -0.059 0.000 1.073 271 L CA 1.426 56.273 54.840 0.011 0.000 0.745 271 L CB -1.172 40.949 42.059 0.103 0.000 0.894 271 L HN 0.157 nan 8.230 nan 0.000 0.432 272 A N -0.868 121.840 122.820 -0.187 0.000 1.898 272 A HA -0.183 4.128 4.320 -0.014 0.000 0.216 272 A C 2.170 179.624 177.584 -0.218 0.000 1.181 272 A CA 1.510 53.380 52.037 -0.278 0.000 0.620 272 A CB -0.452 18.163 19.000 -0.641 0.000 0.819 272 A HN 0.518 nan 8.150 nan 0.000 0.442 273 E N -0.068 120.023 120.200 -0.182 0.000 2.427 273 E HA -0.075 4.267 4.350 -0.014 0.000 0.196 273 E C 1.154 177.710 176.600 -0.074 0.000 1.028 273 E CA 0.229 56.558 56.400 -0.120 0.000 0.864 273 E CB -0.123 29.531 29.700 -0.078 0.000 0.813 273 E HN 0.461 nan 8.360 nan 0.000 0.514 274 N N 1.076 119.741 118.700 -0.058 0.000 2.348 274 N HA -0.142 4.589 4.740 -0.014 0.000 0.185 274 N C 1.580 177.082 175.510 -0.014 0.000 1.019 274 N CA 0.750 53.794 53.050 -0.011 0.000 0.880 274 N CB -0.100 38.386 38.487 -0.002 0.000 0.965 274 N HN 0.263 nan 8.380 nan 0.000 0.437 275 I N 0.374 120.875 120.570 -0.114 0.000 2.194 275 I HA -0.268 3.893 4.170 -0.014 0.000 0.246 275 I C 1.532 177.610 176.117 -0.066 0.000 1.093 275 I CA 1.360 62.563 61.300 -0.163 0.000 1.355 275 I CB -0.251 37.488 38.000 -0.435 0.000 1.046 275 I HN 0.139 nan 8.210 nan 0.000 0.413 276 S N -0.413 115.240 115.700 -0.078 0.000 2.614 276 S HA 0.168 4.629 4.470 -0.014 0.000 0.230 276 S C 1.517 176.254 174.600 0.228 0.000 0.952 276 S CA -0.469 57.777 58.200 0.077 0.000 0.949 276 S CB 0.165 63.396 63.200 0.052 0.000 0.786 276 S HN 0.232 nan 8.310 nan 0.000 0.478 277 R N 1.222 121.859 120.500 0.229 0.000 2.075 277 R HA 0.287 4.618 4.340 -0.014 0.000 0.226 277 R C 0.368 176.926 176.300 0.430 0.000 1.114 277 R CA 1.035 57.313 56.100 0.297 0.000 0.972 277 R CB -0.150 30.282 30.300 0.220 0.000 0.869 277 R HN 0.387 nan 8.270 nan 0.000 0.437 278 V N 0.374 120.501 119.914 0.356 0.000 2.932 278 V HA 0.354 4.466 4.120 -0.014 0.000 0.307 278 V C -1.652 174.424 176.094 -0.030 0.000 1.147 278 V CA -1.379 61.050 62.300 0.216 0.000 0.951 278 V CB 1.773 33.637 31.823 0.069 0.000 1.031 278 V HN 0.140 nan 8.190 nan 0.000 0.426 279 L N 6.834 127.805 121.223 -0.421 0.000 2.410 279 L HA 0.471 4.803 4.340 -0.014 0.000 0.273 279 L C -0.822 175.895 176.870 -0.255 0.000 1.144 279 L CA 0.448 54.838 54.840 -0.751 0.000 0.863 279 L CB 0.417 41.967 42.059 -0.848 0.000 1.140 279 L HN 0.683 nan 8.230 nan 0.000 0.463 280 Y N 7.083 127.289 120.300 -0.157 0.000 2.569 280 Y HA 0.185 4.727 4.550 -0.014 0.000 0.332 280 Y C -1.347 174.541 175.900 -0.020 0.000 1.120 280 Y CA -1.149 56.930 58.100 -0.034 0.000 1.416 280 Y CB 0.351 38.814 38.460 0.006 0.000 1.210 280 Y HN 0.577 nan 8.280 nan 0.000 0.528 281 P HA 0.047 nan 4.420 nan 0.000 0.253 281 P C -1.122 176.305 177.300 0.212 0.000 1.459 281 P CA 0.038 63.236 63.100 0.164 0.000 0.908 281 P CB -0.059 31.822 31.700 0.303 0.000 1.470 282 N N 2.008 120.847 118.700 0.231 0.000 2.444 282 N HA 0.187 4.919 4.740 -0.014 0.000 0.271 282 N C -0.353 175.311 175.510 0.255 0.000 1.069 282 N CA -0.499 52.713 53.050 0.270 0.000 0.965 282 N CB 0.636 39.315 38.487 0.322 0.000 1.092 282 N HN 0.116 nan 8.380 nan 0.000 0.476 283 D N 1.844 122.440 120.400 0.327 0.000 2.308 283 D HA 0.149 4.780 4.640 -0.014 0.000 0.242 283 D C -0.379 176.190 176.300 0.449 0.000 1.059 283 D CA -0.609 53.602 54.000 0.352 0.000 0.830 283 D CB 0.655 41.691 40.800 0.393 0.000 1.161 283 D HN 0.428 nan 8.370 nan 0.000 0.494 284 N N 0.750 119.629 118.700 0.299 0.000 2.727 284 N HA -0.236 4.496 4.740 -0.014 0.000 0.249 284 N C -1.194 174.534 175.510 0.364 0.000 1.048 284 N CA 0.652 53.853 53.050 0.252 0.000 0.714 284 N CB -1.147 37.413 38.487 0.122 0.000 0.959 284 N HN 0.522 nan 8.380 nan 0.000 0.544 285 F N 0.445 120.492 119.950 0.161 0.000 2.604 285 F HA 0.439 4.958 4.527 -0.014 0.000 0.316 285 F C -1.252 174.623 175.800 0.125 0.000 1.136 285 F CA -1.182 56.885 58.000 0.112 0.000 0.989 285 F CB 0.961 39.990 39.000 0.048 0.000 1.258 285 F HN -0.020 nan 8.300 nan 0.000 0.451 286 F N 5.998 125.478 119.950 -0.783 0.000 2.411 286 F HA 0.440 4.959 4.527 -0.014 0.000 0.355 286 F C -0.316 174.999 175.800 -0.810 0.000 1.117 286 F CA -0.090 57.518 58.000 -0.653 0.000 1.139 286 F CB 0.622 39.303 39.000 -0.532 0.000 1.120 286 F HN 0.561 nan 8.300 nan 0.000 0.493 287 E N 4.227 123.766 120.200 -1.101 0.000 2.145 287 E HA 0.276 4.618 4.350 -0.014 0.000 0.262 287 E C -0.047 175.809 176.600 -1.239 0.000 0.883 287 E CA -0.701 55.164 56.400 -0.891 0.000 0.748 287 E CB 1.319 30.867 29.700 -0.254 0.000 1.140 287 E HN 0.921 nan 8.360 nan 0.000 0.417 288 G N 5.122 113.151 108.800 -1.286 0.000 3.197 288 G HA2 0.018 3.969 3.960 -0.014 0.000 0.257 288 G HA3 0.018 3.969 3.960 -0.014 0.000 0.257 288 G C -0.007 174.798 174.900 -0.158 0.000 0.835 288 G CA -0.159 44.363 45.100 -0.963 0.000 2.001 288 G HN 0.178 nan 8.290 nan 0.000 0.625 289 K N 0.471 120.843 120.400 -0.047 0.000 2.130 289 K HA 0.206 4.518 4.320 -0.014 0.000 0.268 289 K C 0.956 177.682 176.600 0.211 0.000 0.983 289 K CA -0.709 55.642 56.287 0.107 0.000 0.893 289 K CB 2.202 34.762 32.500 0.101 0.000 1.066 289 K HN 0.390 nan 8.250 nan 0.000 0.450 290 E N 1.609 121.901 120.200 0.154 0.000 2.085 290 E HA -0.213 4.128 4.350 -0.014 0.000 0.194 290 E C 1.503 178.124 176.600 0.035 0.000 0.994 290 E CA 1.074 57.519 56.400 0.075 0.000 0.801 290 E CB 0.189 29.937 29.700 0.079 0.000 0.743 290 E HN 0.388 nan 8.360 nan 0.000 0.453 291 L N 1.332 122.615 121.223 0.101 0.000 2.042 291 L HA -0.182 4.150 4.340 -0.014 0.000 0.210 291 L C 2.466 179.409 176.870 0.122 0.000 1.076 291 L CA 1.821 56.736 54.840 0.125 0.000 0.749 291 L CB -0.539 41.660 42.059 0.234 0.000 0.893 291 L HN -0.001 nan 8.230 nan 0.000 0.432 292 R N -0.594 119.923 120.500 0.029 0.000 2.096 292 R HA -0.166 4.166 4.340 -0.014 0.000 0.235 292 R C 2.118 178.442 176.300 0.041 0.000 1.127 292 R CA 1.865 57.906 56.100 -0.099 0.000 0.968 292 R CB -0.994 29.042 30.300 -0.439 0.000 0.861 292 R HN 0.424 nan 8.270 nan 0.000 0.440 293 L N 0.789 121.956 121.223 -0.094 0.000 2.046 293 L HA -0.065 4.267 4.340 -0.014 0.000 0.208 293 L C 1.694 178.490 176.870 -0.124 0.000 1.077 293 L CA 1.903 56.477 54.840 -0.443 0.000 0.747 293 L CB -0.380 41.125 42.059 -0.923 0.000 0.896 293 L HN 0.143 nan 8.230 nan 0.000 0.432 294 K N -0.983 119.393 120.400 -0.040 0.000 2.097 294 K HA -0.183 4.129 4.320 -0.014 0.000 0.206 294 K C 2.097 178.845 176.600 0.247 0.000 1.049 294 K CA 1.700 58.032 56.287 0.076 0.000 0.933 294 K CB -0.176 32.192 32.500 -0.220 0.000 0.717 294 K HN 0.503 nan 8.250 nan 0.000 0.442 295 Q N 0.653 120.566 119.800 0.187 0.000 2.084 295 Q HA -0.198 4.134 4.340 -0.014 0.000 0.202 295 Q C 1.934 178.121 176.000 0.313 0.000 0.978 295 Q CA 1.490 57.462 55.803 0.281 0.000 0.844 295 Q CB -0.033 28.889 28.738 0.305 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.426 296 E N -0.241 120.095 120.200 0.228 0.000 2.077 296 E HA -0.208 4.134 4.350 -0.014 0.000 0.193 296 E C 1.730 178.434 176.600 0.173 0.000 0.989 296 E CA 0.994 57.512 56.400 0.196 0.000 0.800 296 E CB -0.127 29.667 29.700 0.156 0.000 0.746 296 E HN 0.329 nan 8.360 nan 0.000 0.452 297 Y N 0.417 120.754 120.300 0.063 0.000 2.220 297 Y HA -0.203 4.339 4.550 -0.014 0.000 0.291 297 Y C 1.982 177.910 175.900 0.047 0.000 1.129 297 Y CA 1.021 59.117 58.100 -0.007 0.000 1.161 297 Y CB -0.374 38.049 38.460 -0.061 0.000 0.997 297 Y HN 0.006 nan 8.280 nan 0.000 0.522 298 F N -0.302 119.640 119.950 -0.013 0.000 2.091 298 F HA -0.264 4.255 4.527 -0.014 0.000 0.299 298 F C 2.472 178.118 175.800 -0.257 0.000 1.103 298 F CA 2.030 59.972 58.000 -0.097 0.000 1.228 298 F CB -1.059 38.031 39.000 0.151 0.000 0.984 298 F HN -0.046 nan 8.300 nan 0.000 0.477 299 V N -0.573 119.289 119.914 -0.088 0.000 2.358 299 V HA -0.198 3.914 4.120 -0.014 0.000 0.246 299 V C 2.215 178.150 176.094 -0.264 0.000 1.047 299 V CA 1.871 64.086 62.300 -0.142 0.000 1.035 299 V CB -0.334 31.607 31.823 0.196 0.000 0.658 299 V HN 0.256 nan 8.190 nan 0.000 0.452 300 V N 0.390 120.156 119.914 -0.247 0.000 2.307 300 V HA -0.184 3.928 4.120 -0.014 0.000 0.245 300 V C 2.781 178.606 176.094 -0.447 0.000 1.045 300 V CA 2.154 64.292 62.300 -0.270 0.000 1.024 300 V CB -1.030 30.692 31.823 -0.168 0.000 0.651 300 V HN 0.638 nan 8.190 nan 0.000 0.449 301 A N -0.230 122.150 122.820 -0.733 0.000 1.873 301 A HA -0.071 4.240 4.320 -0.014 0.000 0.215 301 A C 2.404 179.612 177.584 -0.627 0.000 1.186 301 A CA 2.011 53.613 52.037 -0.726 0.000 0.616 301 A CB -0.799 17.561 19.000 -1.067 0.000 0.823 301 A HN 0.555 nan 8.150 nan 0.000 0.442 302 A N -0.948 121.339 122.820 -0.889 0.000 1.877 302 A HA -0.077 4.234 4.320 -0.014 0.000 0.216 302 A C 2.320 179.419 177.584 -0.808 0.000 1.186 302 A CA 2.320 53.646 52.037 -1.185 0.000 0.620 302 A CB -1.343 16.267 19.000 -2.315 0.000 0.822 302 A HN 0.423 nan 8.150 nan 0.000 0.443 303 T N 0.485 114.698 114.554 -0.568 0.000 2.684 303 T HA -0.124 4.217 4.350 -0.014 0.000 0.267 303 T C 1.833 176.264 174.700 -0.449 0.000 1.036 303 T CA 1.549 63.429 62.100 -0.366 0.000 1.148 303 T CB -0.415 68.237 68.868 -0.360 0.000 0.863 303 T HN 0.336 nan 8.240 nan 0.000 0.436 304 L N 0.651 121.654 121.223 -0.367 0.000 2.083 304 L HA -0.164 4.167 4.340 -0.014 0.000 0.209 304 L C 2.921 179.667 176.870 -0.206 0.000 1.083 304 L CA 1.388 56.061 54.840 -0.277 0.000 0.752 304 L CB -0.496 41.439 42.059 -0.206 0.000 0.899 304 L HN 0.353 nan 8.230 nan 0.000 0.433 305 Q N -0.638 119.042 119.800 -0.201 0.000 2.084 305 Q HA -0.251 4.080 4.340 -0.014 0.000 0.202 305 Q C 1.770 177.730 176.000 -0.067 0.000 0.978 305 Q CA 1.747 57.483 55.803 -0.111 0.000 0.844 305 Q CB -0.114 28.552 28.738 -0.119 0.000 0.898 305 Q HN 0.403 nan 8.270 nan 0.000 0.426 306 D N 0.513 120.861 120.400 -0.088 0.000 2.097 306 D HA -0.102 4.529 4.640 -0.014 0.000 0.197 306 D C 1.678 177.892 176.300 -0.143 0.000 0.984 306 D CA 0.869 54.847 54.000 -0.036 0.000 0.826 306 D CB -0.036 40.851 40.800 0.145 0.000 0.973 306 D HN 0.153 nan 8.370 nan 0.000 0.460 307 I N 0.183 120.559 120.570 -0.324 0.000 2.163 307 I HA -0.263 3.898 4.170 -0.014 0.000 0.243 307 I C 2.328 178.430 176.117 -0.025 0.000 1.085 307 I CA 0.821 61.873 61.300 -0.413 0.000 1.347 307 I CB -0.184 37.411 38.000 -0.676 0.000 1.044 307 I HN 0.059 nan 8.210 nan 0.000 0.408 308 I N 0.193 120.808 120.570 0.075 0.000 2.252 308 I HA -0.293 3.869 4.170 -0.014 0.000 0.245 308 I C 2.794 179.060 176.117 0.249 0.000 1.102 308 I CA 1.155 62.620 61.300 0.275 0.000 1.385 308 I CB -0.424 37.696 38.000 0.200 0.000 1.064 308 I HN 0.198 nan 8.210 nan 0.000 0.414 309 R N 1.182 121.757 120.500 0.125 0.000 2.096 309 R HA -0.232 4.100 4.340 -0.014 0.000 0.240 309 R C 2.472 178.831 176.300 0.099 0.000 1.139 309 R CA 1.812 57.973 56.100 0.101 0.000 0.952 309 R CB -0.266 30.072 30.300 0.065 0.000 0.854 309 R HN 0.230 nan 8.270 nan 0.000 0.436 310 R N -0.707 119.842 120.500 0.081 0.000 2.092 310 R HA -0.143 4.189 4.340 -0.014 0.000 0.231 310 R C 2.180 178.565 176.300 0.143 0.000 1.119 310 R CA 1.554 57.709 56.100 0.092 0.000 0.970 310 R CB -0.311 30.027 30.300 0.063 0.000 0.864 310 R HN 0.281 nan 8.270 nan 0.000 0.440 311 F N 1.438 121.415 119.950 0.045 0.000 2.186 311 F HA -0.111 4.408 4.527 -0.014 0.000 0.299 311 F C 1.668 177.475 175.800 0.010 0.000 1.090 311 F CA 1.482 59.502 58.000 0.034 0.000 1.307 311 F CB 0.081 39.145 39.000 0.106 0.000 1.019 311 F HN -0.165 nan 8.300 nan 0.000 0.489 312 K N -0.315 120.035 120.400 -0.083 0.000 2.155 312 K HA -0.009 4.302 4.320 -0.014 0.000 0.203 312 K C 1.534 178.040 176.600 -0.158 0.000 1.052 312 K CA 1.169 57.331 56.287 -0.208 0.000 0.948 312 K CB -0.226 32.270 32.500 -0.007 0.000 0.728 312 K HN 0.102 nan 8.250 nan 0.000 0.448 313 S N 1.382 117.054 115.700 -0.045 0.000 2.840 313 S HA 0.086 4.547 4.470 -0.014 0.000 0.235 313 S C 0.260 174.869 174.600 0.015 0.000 0.968 313 S CA -0.217 57.999 58.200 0.027 0.000 1.026 313 S CB 0.057 63.323 63.200 0.110 0.000 0.788 313 S HN 0.125 nan 8.310 nan 0.000 0.487 325 N N 0.745 119.422 118.700 -0.039 0.000 2.500 325 N HA 0.303 5.034 4.740 -0.014 0.000 0.236 325 N C -0.503 175.066 175.510 0.098 0.000 1.022 325 N CA -0.140 52.946 53.050 0.061 0.000 0.935 325 N CB 0.325 38.844 38.487 0.053 0.000 1.147 325 N HN 0.113 nan 8.380 nan 0.000 0.512 326 F N 1.724 121.781 119.950 0.179 0.000 2.811 326 F HA 0.076 4.595 4.527 -0.014 0.000 0.301 326 F C 1.512 177.376 175.800 0.106 0.000 1.151 326 F CA -0.042 58.038 58.000 0.134 0.000 1.412 326 F CB 0.300 39.266 39.000 -0.056 0.000 1.113 326 F HN 0.460 nan 8.300 nan 0.000 0.579 327 D N 0.447 120.986 120.400 0.231 0.000 2.182 327 D HA -0.185 4.447 4.640 -0.014 0.000 0.201 327 D C 2.201 178.592 176.300 0.151 0.000 0.986 327 D CA 1.332 55.425 54.000 0.154 0.000 0.847 327 D CB -0.212 40.654 40.800 0.111 0.000 0.942 327 D HN 0.245 nan 8.370 nan 0.000 0.467 328 A N -0.854 122.083 122.820 0.195 0.000 2.218 328 A HA 0.079 4.390 4.320 -0.014 0.000 0.209 328 A C 1.706 179.405 177.584 0.191 0.000 1.168 328 A CA -0.227 51.924 52.037 0.189 0.000 0.804 328 A CB -0.728 18.394 19.000 0.203 0.000 0.834 328 A HN 0.196 nan 8.150 nan 0.000 0.482 329 F N 1.943 121.854 119.950 -0.064 0.000 2.065 329 F HA -0.150 4.369 4.527 -0.014 0.000 0.298 329 F C -0.776 174.919 175.800 -0.174 0.000 1.112 329 F CA 2.593 60.353 58.000 -0.401 0.000 1.212 329 F CB -0.573 38.185 39.000 -0.403 0.000 0.975 329 F HN 0.201 nan 8.300 nan 0.000 0.476 330 P HA -0.084 nan 4.420 nan 0.000 0.226 330 P C 0.692 177.951 177.300 -0.067 0.000 1.153 330 P CA 1.365 64.438 63.100 -0.046 0.000 0.777 330 P CB -0.085 31.616 31.700 0.001 0.000 0.794 331 D N -0.636 119.744 120.400 -0.033 0.000 2.277 331 D HA -0.044 4.588 4.640 -0.014 0.000 0.208 331 D C 1.509 177.793 176.300 -0.027 0.000 0.962 331 D CA 0.944 54.936 54.000 -0.013 0.000 0.865 331 D CB 0.077 40.890 40.800 0.021 0.000 0.939 331 D HN 0.154 nan 8.370 nan 0.000 0.510 332 K N 0.035 120.397 120.400 -0.065 0.000 2.380 332 K HA 0.209 4.521 4.320 -0.014 0.000 0.198 332 K C -0.071 176.442 176.600 -0.145 0.000 1.070 332 K CA 0.069 56.326 56.287 -0.049 0.000 1.040 332 K CB 2.276 34.842 32.500 0.110 0.000 0.903 332 K HN -0.055 nan 8.250 nan 0.000 0.549 333 V N 1.072 120.818 119.914 -0.280 0.000 2.623 333 V HA 0.592 4.703 4.120 -0.014 0.000 0.304 333 V C -1.043 174.965 176.094 -0.143 0.000 1.054 333 V CA -1.259 60.874 62.300 -0.279 0.000 0.882 333 V CB 1.788 33.147 31.823 -0.773 0.000 1.002 333 V HN 0.114 nan 8.190 nan 0.000 0.424 334 A N 5.784 128.568 122.820 -0.060 0.000 2.355 334 A HA 0.937 5.249 4.320 -0.014 0.000 0.317 334 A C -0.937 176.671 177.584 0.040 0.000 1.094 334 A CA -0.521 51.514 52.037 -0.003 0.000 0.764 334 A CB 1.035 19.995 19.000 -0.067 0.000 1.230 334 A HN 0.771 nan 8.150 nan 0.000 0.448 335 I N 1.730 122.364 120.570 0.106 0.000 2.382 335 I HA 0.304 4.466 4.170 -0.014 0.000 0.286 335 I C -0.348 175.850 176.117 0.134 0.000 1.002 335 I CA -0.559 60.811 61.300 0.117 0.000 1.135 335 I CB 1.937 39.986 38.000 0.083 0.000 1.288 335 I HN 0.685 nan 8.210 nan 0.000 0.448 336 Q N 6.708 126.583 119.800 0.124 0.000 2.314 336 Q HA 0.504 4.836 4.340 -0.014 0.000 0.259 336 Q C -1.312 174.667 176.000 -0.034 0.000 0.951 336 Q CA -0.256 55.639 55.803 0.153 0.000 0.909 336 Q CB 1.319 30.249 28.738 0.319 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.798 125.044 121.223 0.039 0.000 2.261 337 L HA 0.388 4.720 4.340 -0.014 0.000 0.289 337 L C 0.065 176.951 176.870 0.025 0.000 1.059 337 L CA -0.721 54.136 54.840 0.028 0.000 0.816 337 L CB 0.663 42.787 42.059 0.109 0.000 1.191 337 L HN 0.563 nan 8.230 nan 0.000 0.431 338 N N 3.536 122.175 118.700 -0.103 0.000 2.508 338 N HA 0.089 4.821 4.740 -0.014 0.000 0.253 338 N C -0.148 175.365 175.510 0.006 0.000 1.145 338 N CA 0.403 53.438 53.050 -0.025 0.000 0.973 338 N CB -0.081 38.312 38.487 -0.157 0.000 1.305 338 N HN 0.698 nan 8.380 nan 0.000 0.506 339 D N -0.433 120.075 120.400 0.180 0.000 3.841 339 D HA -0.262 4.369 4.640 -0.014 0.000 0.276 339 D C 0.395 176.781 176.300 0.144 0.000 2.088 339 D CA 2.128 56.224 54.000 0.159 0.000 1.152 339 D CB -0.334 40.351 40.800 -0.193 0.000 0.944 339 D HN 0.515 nan 8.370 nan 0.000 1.144 340 T N -3.237 111.334 114.554 0.028 0.000 3.129 340 T HA 0.107 4.449 4.350 -0.014 0.000 0.251 340 T C 1.392 176.160 174.700 0.112 0.000 1.117 340 T CA 1.324 63.429 62.100 0.008 0.000 1.034 340 T CB -0.471 68.374 68.868 -0.038 0.000 0.968 340 T HN 0.511 nan 8.240 nan 0.000 0.526 341 H N 2.593 121.747 119.070 0.141 0.000 2.387 341 H HA -0.001 4.546 4.556 -0.014 0.000 0.299 341 H C -0.938 174.474 175.328 0.140 0.000 1.099 341 H CA 0.920 57.065 56.048 0.163 0.000 1.315 341 H CB -0.868 28.991 29.762 0.162 0.000 1.380 341 H HN 0.441 nan 8.280 nan 0.000 0.513 342 P HA 0.091 nan 4.420 nan 0.000 0.262 342 P C 0.704 178.040 177.300 0.060 0.000 1.651 342 P CA 0.274 63.446 63.100 0.121 0.000 1.119 342 P CB 0.391 32.150 31.700 0.099 0.000 1.552 343 S N -0.220 115.510 115.700 0.049 0.000 2.440 343 S HA -0.137 4.325 4.470 -0.014 0.000 0.238 343 S C 1.720 176.315 174.600 -0.009 0.000 1.010 343 S CA 0.837 59.027 58.200 -0.017 0.000 0.972 343 S CB -1.482 61.685 63.200 -0.055 0.000 0.774 343 S HN 0.154 nan 8.310 nan 0.000 0.501 344 L N 1.062 122.293 121.223 0.013 0.000 2.549 344 L HA 0.012 4.343 4.340 -0.014 0.000 0.230 344 L C 2.921 179.813 176.870 0.037 0.000 1.162 344 L CA 0.615 55.463 54.840 0.013 0.000 0.834 344 L CB -0.776 41.287 42.059 0.007 0.000 0.947 344 L HN 0.470 nan 8.230 nan 0.000 0.452 345 A N 0.535 123.359 122.820 0.007 0.000 1.978 345 A HA -0.207 4.104 4.320 -0.014 0.000 0.220 345 A C 2.192 179.766 177.584 -0.016 0.000 1.170 345 A CA 1.606 53.634 52.037 -0.016 0.000 0.636 345 A CB -0.475 18.508 19.000 -0.028 0.000 0.810 345 A HN 0.387 nan 8.150 nan 0.000 0.448 346 I N 0.142 120.705 120.570 -0.012 0.000 2.133 346 I HA -0.124 4.037 4.170 -0.014 0.000 0.238 346 I C -0.387 175.742 176.117 0.019 0.000 1.074 346 I CA 1.401 62.692 61.300 -0.015 0.000 1.342 346 I CB -0.862 37.130 38.000 -0.013 0.000 1.053 346 I HN 0.241 nan 8.210 nan 0.000 0.404 347 P HA -0.154 nan 4.420 nan 0.000 0.222 347 P C 1.265 178.598 177.300 0.055 0.000 1.153 347 P CA 1.399 64.535 63.100 0.060 0.000 0.798 347 P CB 0.062 31.820 31.700 0.097 0.000 0.796 348 E N 0.391 120.682 120.200 0.152 0.000 2.072 348 E HA -0.159 4.183 4.350 -0.014 0.000 0.191 348 E C 1.924 178.509 176.600 -0.024 0.000 0.985 348 E CA 0.736 57.237 56.400 0.168 0.000 0.801 348 E CB -1.233 28.598 29.700 0.219 0.000 0.750 348 E HN -0.006 nan 8.360 nan 0.000 0.452 349 L N 0.003 121.179 121.223 -0.078 0.000 2.017 349 L HA -0.130 4.201 4.340 -0.014 0.000 0.208 349 L C 2.116 178.842 176.870 -0.240 0.000 1.073 349 L CA 1.853 56.586 54.840 -0.179 0.000 0.745 349 L CB -0.670 41.283 42.059 -0.178 0.000 0.894 349 L HN 0.229 nan 8.230 nan 0.000 0.432 350 M N -0.649 118.827 119.600 -0.206 0.000 2.082 350 M HA -0.256 4.215 4.480 -0.014 0.000 0.258 350 M C 2.454 178.600 176.300 -0.257 0.000 1.069 350 M CA 1.763 56.897 55.300 -0.275 0.000 1.102 350 M CB -1.301 31.130 32.600 -0.281 0.000 1.336 350 M HN 0.358 nan 8.290 nan 0.000 0.404 351 R N 0.052 120.425 120.500 -0.213 0.000 2.083 351 R HA -0.141 4.191 4.340 -0.014 0.000 0.237 351 R C 2.080 178.276 176.300 -0.173 0.000 1.137 351 R CA 1.821 57.795 56.100 -0.210 0.000 0.951 351 R CB -0.225 29.898 30.300 -0.295 0.000 0.851 351 R HN 0.229 nan 8.270 nan 0.000 0.434 352 V N 1.469 121.278 119.914 -0.175 0.000 2.295 352 V HA -0.261 3.851 4.120 -0.014 0.000 0.246 352 V C 2.418 178.349 176.094 -0.272 0.000 1.049 352 V CA 1.791 63.979 62.300 -0.186 0.000 1.024 352 V CB -0.426 31.285 31.823 -0.187 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.610 120.390 121.223 -0.371 0.000 2.056 353 L HA -0.115 4.216 4.340 -0.014 0.000 0.207 353 L C 2.387 179.078 176.870 -0.298 0.000 1.078 353 L CA 1.059 55.616 54.840 -0.471 0.000 0.749 353 L CB -0.584 41.144 42.059 -0.552 0.000 0.901 353 L HN 0.207 nan 8.230 nan 0.000 0.433 354 V N -0.664 119.119 119.914 -0.219 0.000 2.331 354 V HA -0.171 3.941 4.120 -0.014 0.000 0.242 354 V C 1.892 177.946 176.094 -0.067 0.000 1.034 354 V CA 1.637 63.871 62.300 -0.110 0.000 1.027 354 V CB -0.347 31.445 31.823 -0.052 0.000 0.667 354 V HN 0.347 nan 8.190 nan 0.000 0.457 355 D N -0.177 120.177 120.400 -0.078 0.000 2.213 355 D HA 0.039 4.671 4.640 -0.014 0.000 0.205 355 D C 1.992 178.265 176.300 -0.045 0.000 0.961 355 D CA 1.031 55.003 54.000 -0.047 0.000 0.853 355 D CB 0.197 40.967 40.800 -0.050 0.000 0.967 355 D HN 0.335 nan 8.370 nan 0.000 0.496 356 L N 0.123 121.303 121.223 -0.071 0.000 2.362 356 L HA 0.138 4.470 4.340 -0.014 0.000 0.204 356 L C 1.835 178.677 176.870 -0.048 0.000 1.060 356 L CA 0.417 55.226 54.840 -0.052 0.000 0.827 356 L CB 0.139 42.167 42.059 -0.051 0.000 1.027 356 L HN -0.208 nan 8.230 nan 0.000 0.474 357 E N 0.385 120.524 120.200 -0.101 0.000 2.447 357 E HA 0.043 4.385 4.350 -0.014 0.000 0.195 357 E C 0.081 176.651 176.600 -0.050 0.000 1.028 357 E CA -0.026 56.326 56.400 -0.081 0.000 0.876 357 E CB 0.382 29.933 29.700 -0.247 0.000 0.885 357 E HN 0.192 nan 8.360 nan 0.000 0.500 358 R N -0.283 120.180 120.500 -0.061 0.000 3.656 358 R HA -0.179 4.153 4.340 -0.014 0.000 0.297 358 R C -0.324 175.965 176.300 -0.019 0.000 1.166 358 R CA 0.222 56.308 56.100 -0.023 0.000 0.799 358 R CB -2.907 27.397 30.300 0.007 0.000 1.285 358 R HN 0.096 nan 8.270 nan 0.000 0.477 359 L N 2.411 123.595 121.223 -0.065 0.000 2.439 359 L HA 0.114 4.446 4.340 -0.014 0.000 0.269 359 L C 1.484 178.349 176.870 -0.008 0.000 1.179 359 L CA 0.363 55.174 54.840 -0.048 0.000 0.828 359 L CB 0.384 42.367 42.059 -0.127 0.000 1.106 359 L HN 0.140 nan 8.230 nan 0.000 0.467 360 D N 1.460 121.879 120.400 0.032 0.000 2.382 360 D HA -0.156 4.476 4.640 -0.014 0.000 0.240 360 D C 0.943 177.312 176.300 0.114 0.000 1.146 360 D CA -0.482 53.571 54.000 0.088 0.000 0.897 360 D CB 0.699 41.556 40.800 0.095 0.000 1.197 360 D HN 0.630 nan 8.370 nan 0.000 0.432 361 W N 2.232 123.535 121.300 0.006 0.000 2.301 361 W HA -0.248 4.404 4.660 -0.014 0.000 0.325 361 W C 1.089 177.653 176.519 0.075 0.000 1.250 361 W CA 2.010 59.366 57.345 0.018 0.000 1.261 361 W CB -0.352 29.100 29.460 -0.014 0.000 1.157 361 W HN 0.461 nan 8.180 nan 0.000 0.473 362 D N 0.288 120.888 120.400 0.334 0.000 2.149 362 D HA -0.203 4.429 4.640 -0.014 0.000 0.198 362 D C 1.877 178.275 176.300 0.163 0.000 0.990 362 D CA 1.966 56.136 54.000 0.283 0.000 0.839 362 D CB -0.400 40.542 40.800 0.238 0.000 0.948 362 D HN 0.105 nan 8.370 nan 0.000 0.460 363 K N 1.116 121.570 120.400 0.090 0.000 2.062 363 K HA 0.041 4.352 4.320 -0.014 0.000 0.205 363 K C 1.864 178.447 176.600 -0.029 0.000 1.051 363 K CA 1.355 57.666 56.287 0.041 0.000 0.941 363 K CB -0.528 31.994 32.500 0.037 0.000 0.719 363 K HN -0.014 nan 8.250 nan 0.000 0.440 364 A N 0.791 123.550 122.820 -0.101 0.000 1.908 364 A HA -0.208 4.103 4.320 -0.014 0.000 0.218 364 A C 2.250 179.723 177.584 -0.185 0.000 1.181 364 A CA 1.615 53.522 52.037 -0.216 0.000 0.627 364 A CB -1.271 17.539 19.000 -0.317 0.000 0.818 364 A HN 0.706 nan 8.150 nan 0.000 0.445 365 W N 0.610 121.680 121.300 -0.383 0.000 2.358 365 W HA -0.189 4.463 4.660 -0.014 0.000 0.303 365 W C 2.023 178.469 176.519 -0.120 0.000 1.208 365 W CA 1.892 59.060 57.345 -0.295 0.000 1.274 365 W CB -0.165 29.148 29.460 -0.245 0.000 1.138 365 W HN 0.630 nan 8.180 nan 0.000 0.515 366 E N 0.122 120.295 120.200 -0.044 0.000 2.058 366 E HA -0.243 4.099 4.350 -0.014 0.000 0.194 366 E C 2.038 178.549 176.600 -0.148 0.000 0.997 366 E CA 2.173 58.517 56.400 -0.093 0.000 0.801 366 E CB -0.382 29.325 29.700 0.012 0.000 0.746 366 E HN 0.055 nan 8.360 nan 0.000 0.450 367 V N 0.726 120.569 119.914 -0.119 0.000 2.295 367 V HA -0.270 3.841 4.120 -0.014 0.000 0.246 367 V C 2.409 178.428 176.094 -0.126 0.000 1.049 367 V CA 2.209 64.458 62.300 -0.084 0.000 1.024 367 V CB -0.806 30.960 31.823 -0.096 0.000 0.648 367 V HN 0.405 nan 8.190 nan 0.000 0.447 368 T N 0.066 114.470 114.554 -0.251 0.000 2.652 368 T HA -0.187 4.154 4.350 -0.014 0.000 0.267 368 T C 1.947 176.458 174.700 -0.316 0.000 1.039 368 T CA 1.832 63.757 62.100 -0.293 0.000 1.153 368 T CB -0.317 68.319 68.868 -0.387 0.000 0.863 368 T HN 0.278 nan 8.240 nan 0.000 0.428 369 V N 1.430 121.039 119.914 -0.509 0.000 2.295 369 V HA -0.186 3.925 4.120 -0.014 0.000 0.246 369 V C 2.378 178.427 176.094 -0.074 0.000 1.049 369 V CA 1.671 63.739 62.300 -0.387 0.000 1.024 369 V CB -0.518 31.000 31.823 -0.509 0.000 0.648 369 V HN 0.464 nan 8.190 nan 0.000 0.447 370 K N -0.445 119.894 120.400 -0.101 0.000 2.280 370 K HA -0.110 4.202 4.320 -0.014 0.000 0.202 370 K C 2.098 178.680 176.600 -0.029 0.000 1.047 370 K CA 1.627 57.844 56.287 -0.117 0.000 0.942 370 K CB -0.236 32.192 32.500 -0.121 0.000 0.739 370 K HN 0.488 nan 8.250 nan 0.000 0.457 371 T N 0.117 114.706 114.554 0.059 0.000 2.939 371 T HA 0.017 4.359 4.350 -0.014 0.000 0.254 371 T C 0.907 175.717 174.700 0.183 0.000 1.041 371 T CA 0.408 62.578 62.100 0.116 0.000 1.142 371 T CB 0.106 69.070 68.868 0.159 0.000 0.874 371 T HN 0.165 nan 8.240 nan 0.000 0.452 372 C N 2.389 121.774 119.300 0.141 0.000 2.401 372 C HA 0.878 5.329 4.460 -0.014 0.000 0.365 372 C C 0.615 175.640 174.990 0.058 0.000 1.250 372 C CA -1.210 57.863 59.018 0.091 0.000 2.131 372 C CB 0.038 27.773 27.740 -0.009 0.000 2.445 372 C HN 0.602 nan 8.230 nan 0.000 0.550 373 A N 2.181 125.033 122.820 0.052 0.000 2.498 373 A HA 0.790 5.102 4.320 -0.014 0.000 0.298 373 A C -1.584 176.061 177.584 0.101 0.000 1.075 373 A CA -0.439 51.577 52.037 -0.034 0.000 0.714 373 A CB 1.113 20.084 19.000 -0.049 0.000 1.299 373 A HN 0.948 nan 8.150 nan 0.000 0.407 374 Y N 0.946 121.187 120.300 -0.099 0.000 2.361 374 Y HA 0.620 5.162 4.550 -0.014 0.000 0.337 374 Y C -0.602 175.271 175.900 -0.045 0.000 0.965 374 Y CA -0.330 57.724 58.100 -0.077 0.000 1.091 374 Y CB 2.046 40.415 38.460 -0.152 0.000 1.182 374 Y HN 0.581 nan 8.280 nan 0.000 0.450 375 T N 6.495 120.856 114.554 -0.321 0.000 2.771 375 T HA 0.189 4.530 4.350 -0.014 0.000 0.281 375 T C -0.732 173.538 174.700 -0.716 0.000 0.982 375 T CA -0.780 61.064 62.100 -0.427 0.000 0.978 375 T CB 0.509 69.358 68.868 -0.031 0.000 0.930 375 T HN 0.648 nan 8.240 nan 0.000 0.447 376 N N 1.724 119.983 118.700 -0.735 0.000 2.479 376 N HA 0.130 4.862 4.740 -0.014 0.000 0.285 376 N C -0.022 175.362 175.510 -0.210 0.000 1.075 376 N CA -0.313 52.534 53.050 -0.339 0.000 0.967 376 N CB 0.740 39.186 38.487 -0.068 0.000 1.137 376 N HN 0.683 nan 8.380 nan 0.000 0.472 377 H N 0.911 120.012 119.070 0.051 0.000 3.058 377 H HA 0.165 4.712 4.556 -0.014 0.000 0.266 377 H C -0.270 175.000 175.328 -0.097 0.000 1.135 377 H CA -0.065 55.962 56.048 -0.035 0.000 1.174 377 H CB 1.165 30.913 29.762 -0.023 0.000 1.581 377 H HN 0.510 nan 8.280 nan 0.000 0.553 378 T N 0.351 114.958 114.554 0.088 0.000 2.886 378 T HA 0.250 4.592 4.350 -0.014 0.000 0.330 378 T C 0.432 175.174 174.700 0.069 0.000 1.488 378 T CA -0.382 61.726 62.100 0.014 0.000 1.054 378 T CB 1.420 70.292 68.868 0.006 0.000 1.348 378 T HN -0.031 nan 8.240 nan 0.000 0.489 379 V N 1.629 121.540 119.914 -0.005 0.000 3.556 379 V HA 0.553 4.665 4.120 -0.014 0.000 0.287 379 V C 0.669 176.733 176.094 -0.049 0.000 1.422 379 V CA -0.060 62.225 62.300 -0.026 0.000 1.038 379 V CB -0.389 31.422 31.823 -0.021 0.000 0.850 379 V HN 0.695 nan 8.190 nan 0.000 0.437 380 L N 3.047 124.234 121.223 -0.059 0.000 2.462 380 L HA 0.226 4.558 4.340 -0.014 0.000 0.272 380 L C -0.647 176.228 176.870 0.009 0.000 1.166 380 L CA -1.058 53.771 54.840 -0.018 0.000 0.880 380 L CB 0.823 42.872 42.059 -0.016 0.000 1.142 380 L HN 0.115 nan 8.230 nan 0.000 0.473 381 P HA -0.200 nan 4.420 nan 0.000 0.218 381 P C 0.970 178.275 177.300 0.009 0.000 1.149 381 P CA 1.169 64.271 63.100 0.003 0.000 0.817 381 P CB 0.053 31.758 31.700 0.008 0.000 0.785 382 E N 0.343 120.579 120.200 0.059 0.000 2.418 382 E HA -0.047 4.295 4.350 -0.014 0.000 0.197 382 E C 1.577 178.177 176.600 0.001 0.000 1.026 382 E CA 1.029 57.468 56.400 0.065 0.000 0.862 382 E CB -0.710 29.128 29.700 0.230 0.000 0.799 382 E HN 0.192 nan 8.360 nan 0.000 0.518 383 A N 1.165 124.008 122.820 0.039 0.000 2.147 383 A HA 0.236 4.548 4.320 -0.014 0.000 0.211 383 A C 1.340 178.916 177.584 -0.014 0.000 1.160 383 A CA -0.309 51.759 52.037 0.051 0.000 0.781 383 A CB -0.096 18.961 19.000 0.094 0.000 0.842 383 A HN 0.159 nan 8.150 nan 0.000 0.475 384 L N 1.551 122.724 121.223 -0.083 0.000 2.410 384 L HA 0.098 4.430 4.340 -0.014 0.000 0.273 384 L C 0.008 176.571 176.870 -0.512 0.000 1.152 384 L CA -0.131 54.604 54.840 -0.175 0.000 0.855 384 L CB 0.550 42.535 42.059 -0.122 0.000 1.129 384 L HN 0.328 nan 8.230 nan 0.000 0.463 385 E N 4.552 124.374 120.200 -0.630 0.000 2.180 385 E HA 0.192 4.533 4.350 -0.014 0.000 0.283 385 E C -0.588 175.360 176.600 -1.087 0.000 1.061 385 E CA -0.147 55.447 56.400 -1.343 0.000 0.861 385 E CB 0.647 29.914 29.700 -0.723 0.000 1.056 385 E HN 0.399 nan 8.360 nan 0.000 0.407 386 R N 3.890 123.551 120.500 -1.399 0.000 2.415 386 R HA 0.185 4.517 4.340 -0.014 0.000 0.292 386 R C -1.164 174.927 176.300 -0.348 0.000 1.295 386 R CA -0.578 55.172 56.100 -0.583 0.000 1.137 386 R CB 0.795 30.901 30.300 -0.324 0.000 1.135 386 R HN 0.439 nan 8.270 nan 0.000 0.560 387 W N 4.351 125.590 121.300 -0.102 0.000 2.311 387 W HA 0.241 4.893 4.660 -0.014 0.000 0.310 387 W C -1.871 174.632 176.519 -0.027 0.000 1.274 387 W CA -2.037 55.323 57.345 0.025 0.000 1.215 387 W CB 0.634 30.084 29.460 -0.016 0.000 1.227 387 W HN 0.245 nan 8.180 nan 0.000 0.523 388 P HA -0.113 nan 4.420 nan 0.000 0.264 388 P C 0.804 178.078 177.300 -0.044 0.000 1.183 388 P CA 0.284 63.391 63.100 0.013 0.000 0.763 388 P CB 0.700 32.260 31.700 -0.232 0.000 0.807 389 V N 3.304 123.235 119.914 0.028 0.000 2.407 389 V HA -0.285 3.827 4.120 -0.014 0.000 0.248 389 V C 2.158 178.268 176.094 0.026 0.000 1.055 389 V CA 2.539 64.864 62.300 0.042 0.000 1.049 389 V CB -1.707 30.192 31.823 0.128 0.000 0.662 389 V HN 0.767 nan 8.190 nan 0.000 0.455 390 H N -0.856 118.272 119.070 0.096 0.000 2.421 390 H HA -0.118 4.429 4.556 -0.014 0.000 0.298 390 H C 2.021 177.399 175.328 0.083 0.000 1.087 390 H CA 1.771 57.872 56.048 0.087 0.000 1.330 390 H CB -0.607 29.207 29.762 0.087 0.000 1.388 390 H HN 0.356 nan 8.280 nan 0.000 0.526 391 L N -0.156 120.884 121.223 -0.306 0.000 2.027 391 L HA -0.098 4.233 4.340 -0.014 0.000 0.206 391 L C 2.404 179.220 176.870 -0.089 0.000 1.074 391 L CA 1.046 55.813 54.840 -0.121 0.000 0.745 391 L CB -0.266 41.720 42.059 -0.122 0.000 0.898 391 L HN 0.312 nan 8.230 nan 0.000 0.433 392 L N -0.526 120.626 121.223 -0.119 0.000 2.093 392 L HA -0.219 4.113 4.340 -0.014 0.000 0.208 392 L C 2.499 179.306 176.870 -0.104 0.000 1.085 392 L CA 1.067 55.812 54.840 -0.158 0.000 0.755 392 L CB -0.351 41.602 42.059 -0.176 0.000 0.904 392 L HN 0.282 nan 8.230 nan 0.000 0.435 393 E N -0.489 119.691 120.200 -0.032 0.000 2.085 393 E HA -0.228 4.114 4.350 -0.014 0.000 0.194 393 E C 1.869 178.505 176.600 0.059 0.000 0.994 393 E CA 1.989 58.402 56.400 0.021 0.000 0.801 393 E CB 0.126 29.877 29.700 0.085 0.000 0.743 393 E HN 0.437 nan 8.360 nan 0.000 0.453 394 T N 0.546 115.157 114.554 0.096 0.000 2.852 394 T HA -0.064 4.277 4.350 -0.014 0.000 0.256 394 T C 1.710 176.526 174.700 0.192 0.000 1.038 394 T CA 0.757 62.968 62.100 0.185 0.000 1.141 394 T CB -0.128 68.883 68.868 0.238 0.000 0.869 394 T HN 0.078 nan 8.240 nan 0.000 0.439 395 L N -0.009 121.224 121.223 0.016 0.000 2.162 395 L HA 0.374 4.706 4.340 -0.014 0.000 0.205 395 L C 0.419 177.226 176.870 -0.104 0.000 1.086 395 L CA 1.531 56.260 54.840 -0.185 0.000 0.778 395 L CB 0.028 41.933 42.059 -0.257 0.000 0.928 395 L HN 0.171 nan 8.230 nan 0.000 0.446 396 L N 0.789 121.914 121.223 -0.163 0.000 2.625 396 L HA 0.294 4.626 4.340 -0.014 0.000 0.255 396 L C -1.710 174.979 176.870 -0.301 0.000 1.493 396 L CA -0.902 53.755 54.840 -0.305 0.000 0.796 396 L CB 0.875 42.619 42.059 -0.526 0.000 1.064 396 L HN -0.053 nan 8.230 nan 0.000 0.516 397 P HA -0.185 nan 4.420 nan 0.000 0.217 397 P C 1.473 178.578 177.300 -0.325 0.000 1.150 397 P CA 1.145 64.122 63.100 -0.204 0.000 0.832 397 P CB 0.373 32.028 31.700 -0.075 0.000 0.787 398 R N -0.240 119.886 120.500 -0.623 0.000 2.073 398 R HA -0.133 4.199 4.340 -0.014 0.000 0.229 398 R C 2.349 178.335 176.300 -0.522 0.000 1.120 398 R CA 1.529 57.264 56.100 -0.607 0.000 0.967 398 R CB -1.363 28.418 30.300 -0.864 0.000 0.862 398 R HN 0.204 nan 8.270 nan 0.000 0.436 399 H N -0.034 118.721 119.070 -0.525 0.000 2.352 399 H HA -0.104 4.444 4.556 -0.014 0.000 0.299 399 H C 1.848 176.997 175.328 -0.297 0.000 1.097 399 H CA 1.774 57.598 56.048 -0.372 0.000 1.311 399 H CB -0.174 29.334 29.762 -0.423 0.000 1.377 399 H HN 0.108 nan 8.280 nan 0.000 0.504 400 L N 0.533 121.625 121.223 -0.219 0.000 2.012 400 L HA -0.272 4.059 4.340 -0.014 0.000 0.210 400 L C 2.007 178.668 176.870 -0.350 0.000 1.073 400 L CA 1.650 56.290 54.840 -0.332 0.000 0.748 400 L CB -0.325 41.551 42.059 -0.304 0.000 0.891 400 L HN 0.452 nan 8.230 nan 0.000 0.431 401 Q N -0.310 119.392 119.800 -0.164 0.000 2.096 401 Q HA -0.255 4.076 4.340 -0.014 0.000 0.204 401 Q C 2.164 178.172 176.000 0.012 0.000 0.982 401 Q CA 1.805 57.604 55.803 -0.007 0.000 0.850 401 Q CB -0.161 28.582 28.738 0.008 0.000 0.901 401 Q HN 0.557 nan 8.270 nan 0.000 0.422 402 I N 0.374 120.929 120.570 -0.025 0.000 2.226 402 I HA -0.279 3.883 4.170 -0.014 0.000 0.245 402 I C 2.146 178.332 176.117 0.115 0.000 1.100 402 I CA 1.050 62.413 61.300 0.105 0.000 1.374 402 I CB -0.136 37.881 38.000 0.030 0.000 1.057 402 I HN 0.196 nan 8.210 nan 0.000 0.413 403 I N -0.592 119.969 120.570 -0.016 0.000 2.286 403 I HA -0.315 3.846 4.170 -0.014 0.000 0.248 403 I C 2.353 178.491 176.117 0.035 0.000 1.115 403 I CA 1.352 62.635 61.300 -0.028 0.000 1.392 403 I CB -0.361 37.557 38.000 -0.138 0.000 1.065 403 I HN 0.165 nan 8.210 nan 0.000 0.418 404 Y N 0.838 121.143 120.300 0.010 0.000 2.181 404 Y HA -0.270 4.272 4.550 -0.014 0.000 0.288 404 Y C 2.603 178.473 175.900 -0.050 0.000 1.146 404 Y CA 1.533 59.625 58.100 -0.012 0.000 1.164 404 Y CB -0.776 37.669 38.460 -0.025 0.000 0.982 404 Y HN 0.200 nan 8.280 nan 0.000 0.515 405 E N 0.362 120.608 120.200 0.077 0.000 2.106 405 E HA -0.139 4.203 4.350 -0.014 0.000 0.192 405 E C 2.048 178.576 176.600 -0.121 0.000 0.984 405 E CA 1.245 57.552 56.400 -0.154 0.000 0.806 405 E CB -0.526 28.913 29.700 -0.434 0.000 0.750 405 E HN 0.474 nan 8.360 nan 0.000 0.458 406 I N 0.694 121.296 120.570 0.054 0.000 2.226 406 I HA -0.280 3.881 4.170 -0.014 0.000 0.245 406 I C 2.273 178.400 176.117 0.016 0.000 1.100 406 I CA 1.351 62.638 61.300 -0.021 0.000 1.374 406 I CB -0.419 37.565 38.000 -0.028 0.000 1.057 406 I HN 0.209 nan 8.210 nan 0.000 0.413 407 N N 0.768 119.523 118.700 0.091 0.000 2.120 407 N HA -0.272 4.460 4.740 -0.014 0.000 0.188 407 N C 1.873 177.468 175.510 0.140 0.000 1.024 407 N CA 1.564 54.714 53.050 0.166 0.000 0.852 407 N CB -0.154 38.448 38.487 0.193 0.000 1.003 407 N HN 0.343 nan 8.380 nan 0.000 0.424 408 Q N -0.044 119.785 119.800 0.048 0.000 2.050 408 Q HA -0.108 4.223 4.340 -0.014 0.000 0.202 408 Q C 1.980 177.966 176.000 -0.024 0.000 0.980 408 Q CA 1.285 57.081 55.803 -0.011 0.000 0.840 408 Q CB 0.018 28.710 28.738 -0.076 0.000 0.898 408 Q HN 0.372 nan 8.270 nan 0.000 0.424 409 R N -0.690 119.778 120.500 -0.053 0.000 2.092 409 R HA -0.102 4.230 4.340 -0.014 0.000 0.231 409 R C 2.163 178.494 176.300 0.053 0.000 1.119 409 R CA 1.240 57.308 56.100 -0.054 0.000 0.970 409 R CB -0.349 29.869 30.300 -0.136 0.000 0.864 409 R HN 0.258 nan 8.270 nan 0.000 0.440 410 F N 1.556 121.482 119.950 -0.040 0.000 2.102 410 F HA -0.126 4.392 4.527 -0.014 0.000 0.298 410 F C 1.841 177.663 175.800 0.037 0.000 1.105 410 F CA 1.419 59.442 58.000 0.038 0.000 1.239 410 F CB -0.222 38.831 39.000 0.088 0.000 0.991 410 F HN -0.112 nan 8.300 nan 0.000 0.474 411 L N -0.082 121.150 121.223 0.015 0.000 2.201 411 L HA -0.227 4.105 4.340 -0.014 0.000 0.212 411 L C 1.956 178.763 176.870 -0.106 0.000 1.105 411 L CA 1.498 56.284 54.840 -0.090 0.000 0.775 411 L CB -0.888 41.180 42.059 0.015 0.000 0.913 411 L HN 0.254 nan 8.230 nan 0.000 0.440 412 N N -0.158 118.500 118.700 -0.070 0.000 2.166 412 N HA -0.163 4.568 4.740 -0.014 0.000 0.186 412 N C 1.904 177.365 175.510 -0.080 0.000 1.019 412 N CA 0.792 53.803 53.050 -0.065 0.000 0.856 412 N CB -0.001 38.455 38.487 -0.052 0.000 0.993 412 N HN 0.294 nan 8.380 nan 0.000 0.426 413 R N 0.485 120.919 120.500 -0.110 0.000 2.092 413 R HA -0.023 4.309 4.340 -0.014 0.000 0.231 413 R C 2.158 178.369 176.300 -0.148 0.000 1.119 413 R CA 0.771 56.803 56.100 -0.113 0.000 0.970 413 R CB -0.275 29.967 30.300 -0.096 0.000 0.864 413 R HN 0.082 nan 8.270 nan 0.000 0.440 414 V N 1.062 120.830 119.914 -0.243 0.000 2.295 414 V HA -0.245 3.866 4.120 -0.014 0.000 0.246 414 V C 2.450 178.544 176.094 -0.001 0.000 1.049 414 V CA 2.011 64.227 62.300 -0.140 0.000 1.024 414 V CB -0.736 30.925 31.823 -0.269 0.000 0.648 414 V HN 0.396 nan 8.190 nan 0.000 0.447 415 A N 0.010 122.802 122.820 -0.048 0.000 1.933 415 A HA -0.108 4.204 4.320 -0.014 0.000 0.218 415 A C 2.388 179.958 177.584 -0.024 0.000 1.175 415 A CA 2.092 54.117 52.037 -0.019 0.000 0.628 415 A CB -0.717 18.262 19.000 -0.035 0.000 0.814 415 A HN 0.581 nan 8.150 nan 0.000 0.444 416 A N -0.529 122.260 122.820 -0.051 0.000 1.968 416 A HA 0.280 4.592 4.320 -0.014 0.000 0.217 416 A C 2.381 179.896 177.584 -0.114 0.000 1.169 416 A CA 1.744 53.740 52.037 -0.067 0.000 0.638 416 A CB -0.687 18.276 19.000 -0.062 0.000 0.812 416 A HN 0.962 nan 8.150 nan 0.000 0.446 417 A N -1.712 121.016 122.820 -0.154 0.000 1.975 417 A HA 0.361 4.673 4.320 -0.014 0.000 0.215 417 A C 0.522 177.735 177.584 -0.618 0.000 1.170 417 A CA 0.577 52.382 52.037 -0.387 0.000 0.656 417 A CB -0.166 18.580 19.000 -0.424 0.000 0.821 417 A HN 0.425 nan 8.150 nan 0.000 0.449 418 F N 0.023 119.926 119.950 -0.078 0.000 2.584 418 F HA 0.331 4.849 4.527 -0.014 0.000 0.328 418 F C -2.762 173.001 175.800 -0.061 0.000 1.407 418 F CA -2.664 55.294 58.000 -0.069 0.000 1.145 418 F CB 0.892 39.842 39.000 -0.082 0.000 1.440 418 F HN -0.053 nan 8.300 nan 0.000 0.580 419 P HA 0.213 nan 4.420 nan 0.000 0.267 419 P C 1.005 178.325 177.300 0.034 0.000 1.205 419 P CA 0.946 64.060 63.100 0.022 0.000 0.765 419 P CB 0.955 32.649 31.700 -0.011 0.000 0.828 420 G N 2.473 111.286 108.800 0.021 0.000 2.225 420 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.254 420 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.254 420 G C 0.323 175.232 174.900 0.015 0.000 0.988 420 G CA 0.021 45.130 45.100 0.014 0.000 0.625 420 G HN 0.605 nan 8.290 nan 0.000 0.527 421 D N 1.555 121.972 120.400 0.028 0.000 2.551 421 D HA 0.377 5.009 4.640 -0.014 0.000 0.223 421 D C 2.109 178.396 176.300 -0.021 0.000 1.144 421 D CA 0.427 54.429 54.000 0.003 0.000 1.025 421 D CB 0.379 41.180 40.800 0.001 0.000 1.085 421 D HN 0.607 nan 8.370 nan 0.000 0.506 422 V N 0.656 120.561 119.914 -0.016 0.000 2.515 422 V HA -0.135 3.977 4.120 -0.014 0.000 0.250 422 V C 1.794 177.874 176.094 -0.023 0.000 1.058 422 V CA 1.464 63.753 62.300 -0.017 0.000 1.064 422 V CB -0.462 31.355 31.823 -0.010 0.000 0.675 422 V HN 0.208 nan 8.190 nan 0.000 0.461 423 D N 0.369 120.752 120.400 -0.028 0.000 2.178 423 D HA -0.158 4.474 4.640 -0.014 0.000 0.202 423 D C 2.332 178.601 176.300 -0.051 0.000 0.974 423 D CA 1.249 55.232 54.000 -0.029 0.000 0.841 423 D CB -0.189 40.595 40.800 -0.026 0.000 0.953 423 D HN 0.439 nan 8.370 nan 0.000 0.478 424 R N -0.096 120.349 120.500 -0.092 0.000 2.081 424 R HA -0.105 4.226 4.340 -0.014 0.000 0.235 424 R C 2.244 178.470 176.300 -0.124 0.000 1.131 424 R CA 0.952 56.959 56.100 -0.156 0.000 0.960 424 R CB -0.272 29.869 30.300 -0.264 0.000 0.856 424 R HN 0.252 nan 8.270 nan 0.000 0.436 425 L N 0.607 121.781 121.223 -0.081 0.000 2.012 425 L HA -0.230 4.102 4.340 -0.014 0.000 0.210 425 L C 2.714 179.584 176.870 -0.001 0.000 1.073 425 L CA 2.017 56.829 54.840 -0.047 0.000 0.748 425 L CB -0.529 41.512 42.059 -0.029 0.000 0.891 425 L HN 0.313 nan 8.230 nan 0.000 0.431 426 R N 0.046 120.552 120.500 0.009 0.000 2.115 426 R HA -0.095 4.236 4.340 -0.014 0.000 0.226 426 R C 2.184 178.532 176.300 0.080 0.000 1.100 426 R CA 0.944 57.071 56.100 0.046 0.000 0.980 426 R CB -0.485 29.837 30.300 0.038 0.000 0.875 426 R HN 0.200 nan 8.270 nan 0.000 0.445 427 R N 0.155 120.685 120.500 0.049 0.000 2.115 427 R HA 0.093 4.425 4.340 -0.014 0.000 0.230 427 R C 2.003 178.387 176.300 0.140 0.000 1.111 427 R CA 1.744 57.899 56.100 0.091 0.000 0.976 427 R CB -0.170 30.143 30.300 0.022 0.000 0.870 427 R HN 0.334 nan 8.270 nan 0.000 0.445 428 M N 0.041 119.651 119.600 0.017 0.000 2.509 428 M HA 0.046 4.518 4.480 -0.014 0.000 0.250 428 M C 0.840 177.293 176.300 0.256 0.000 1.132 428 M CA -0.020 55.241 55.300 -0.065 0.000 1.080 428 M CB 0.506 32.907 32.600 -0.331 0.000 1.408 428 M HN -0.081 nan 8.290 nan 0.000 0.484 429 S N 1.054 116.913 115.700 0.264 0.000 2.558 429 S HA 0.059 4.520 4.470 -0.014 0.000 0.288 429 S C 1.181 176.032 174.600 0.418 0.000 1.318 429 S CA -0.271 58.110 58.200 0.302 0.000 1.056 429 S CB 0.591 63.913 63.200 0.202 0.000 0.853 429 S HN 0.365 nan 8.310 nan 0.000 0.505 430 L N 3.961 125.387 121.223 0.338 0.000 2.217 430 L HA 0.067 4.399 4.340 -0.014 0.000 0.211 430 L C 0.413 177.394 176.870 0.185 0.000 1.107 430 L CA 0.463 55.461 54.840 0.264 0.000 0.783 430 L CB -0.436 41.724 42.059 0.169 0.000 0.919 430 L HN 0.424 nan 8.230 nan 0.000 0.442 431 V N 0.872 120.905 119.914 0.197 0.000 2.383 431 V HA 0.144 4.256 4.120 -0.014 0.000 0.275 431 V C 0.088 176.268 176.094 0.143 0.000 1.036 431 V CA -0.557 61.847 62.300 0.172 0.000 0.889 431 V CB 1.330 33.287 31.823 0.222 0.000 0.985 431 V HN 0.179 nan 8.190 nan 0.000 0.459 432 E N 3.416 123.681 120.200 0.108 0.000 2.146 432 E HA 0.382 4.723 4.350 -0.014 0.000 0.282 432 E C -0.668 175.982 176.600 0.083 0.000 0.989 432 E CA -0.521 55.931 56.400 0.087 0.000 0.799 432 E CB 1.782 31.514 29.700 0.052 0.000 1.088 432 E HN 0.620 nan 8.360 nan 0.000 0.397 433 E N 1.025 121.271 120.200 0.076 0.000 2.349 433 E HA 0.595 4.937 4.350 -0.014 0.000 0.262 433 E C 0.153 176.787 176.600 0.058 0.000 1.088 433 E CA 0.334 56.773 56.400 0.066 0.000 0.899 433 E CB 1.425 31.157 29.700 0.054 0.000 1.044 433 E HN 0.645 nan 8.360 nan 0.000 0.420 434 G N -0.223 108.610 108.800 0.055 0.000 2.350 434 G HA2 0.294 4.245 3.960 -0.014 0.000 0.276 434 G HA3 0.294 4.245 3.960 -0.014 0.000 0.276 434 G C 0.343 175.274 174.900 0.052 0.000 1.313 434 G CA 0.042 45.172 45.100 0.050 0.000 0.903 434 G HN 0.572 nan 8.290 nan 0.000 0.490 435 A N -0.889 121.961 122.820 0.049 0.000 1.870 435 A HA 0.260 4.572 4.320 -0.014 0.000 0.219 435 A C 1.694 179.318 177.584 0.066 0.000 1.224 435 A CA 3.782 55.849 52.037 0.050 0.000 0.650 435 A CB -1.334 17.694 19.000 0.046 0.000 0.836 435 A HN 2.305 nan 8.150 nan 0.000 0.454 436 V N -2.935 117.030 119.914 0.085 0.000 2.459 436 V HA 0.523 4.635 4.120 -0.014 0.000 0.295 436 V C -0.400 175.763 176.094 0.116 0.000 1.029 436 V CA -1.414 60.960 62.300 0.122 0.000 0.874 436 V CB 1.388 33.318 31.823 0.179 0.000 0.985 436 V HN 0.349 nan 8.190 nan 0.000 0.438 437 K N 4.094 124.570 120.400 0.127 0.000 2.382 437 K HA 0.463 4.775 4.320 -0.014 0.000 0.275 437 K C -0.345 176.326 176.600 0.117 0.000 1.009 437 K CA -0.115 56.244 56.287 0.120 0.000 0.970 437 K CB 0.818 33.400 32.500 0.137 0.000 0.934 437 K HN 0.733 nan 8.250 nan 0.000 0.479 438 R N 1.470 122.027 120.500 0.094 0.000 2.837 438 R HA 0.478 4.809 4.340 -0.014 0.000 0.271 438 R C -0.599 175.739 176.300 0.064 0.000 0.993 438 R CA -1.022 55.122 56.100 0.074 0.000 0.931 438 R CB 1.310 31.633 30.300 0.037 0.000 1.206 438 R HN 0.377 nan 8.270 nan 0.000 0.474 439 I N 1.898 122.501 120.570 0.056 0.000 2.321 439 I HA 0.160 4.322 4.170 -0.014 0.000 0.291 439 I C -0.141 175.959 176.117 -0.028 0.000 0.998 439 I CA -0.708 60.613 61.300 0.035 0.000 1.227 439 I CB 1.087 39.108 38.000 0.035 0.000 1.368 439 I HN 0.501 nan 8.210 nan 0.000 0.466 440 N N 7.044 125.698 118.700 -0.077 0.000 2.402 440 N HA 0.096 4.828 4.740 -0.014 0.000 0.252 440 N C 0.786 176.195 175.510 -0.168 0.000 1.118 440 N CA -0.304 52.618 53.050 -0.213 0.000 0.945 440 N CB 0.997 39.213 38.487 -0.452 0.000 1.147 440 N HN 0.387 nan 8.380 nan 0.000 0.495 441 M N 2.463 121.965 119.600 -0.164 0.000 2.319 441 M HA -0.032 4.439 4.480 -0.014 0.000 0.265 441 M C 1.944 178.104 176.300 -0.234 0.000 1.068 441 M CA 0.636 55.859 55.300 -0.129 0.000 1.118 441 M CB -1.525 31.044 32.600 -0.051 0.000 1.395 441 M HN 0.603 nan 8.290 nan 0.000 0.435 442 A N -0.355 122.323 122.820 -0.236 0.000 1.933 442 A HA -0.179 4.133 4.320 -0.014 0.000 0.218 442 A C 1.985 179.347 177.584 -0.369 0.000 1.175 442 A CA 1.513 53.370 52.037 -0.300 0.000 0.628 442 A CB -1.142 17.879 19.000 0.036 0.000 0.814 442 A HN 0.598 nan 8.150 nan 0.000 0.444 443 H N -1.079 117.784 119.070 -0.346 0.000 2.357 443 H HA -0.033 4.514 4.556 -0.014 0.000 0.301 443 H C 2.133 177.248 175.328 -0.356 0.000 1.082 443 H CA 0.946 56.762 56.048 -0.387 0.000 1.342 443 H CB -0.070 29.680 29.762 -0.019 0.000 1.389 443 H HN 0.372 nan 8.280 nan 0.000 0.511 444 L N 0.446 121.591 121.223 -0.129 0.000 2.012 444 L HA -0.236 4.096 4.340 -0.014 0.000 0.210 444 L C 2.289 179.022 176.870 -0.228 0.000 1.073 444 L CA 1.365 56.123 54.840 -0.137 0.000 0.748 444 L CB -0.421 41.584 42.059 -0.091 0.000 0.891 444 L HN 0.450 nan 8.230 nan 0.000 0.431 445 C N 0.001 119.064 119.300 -0.396 0.000 2.429 445 C HA -0.179 4.273 4.460 -0.014 0.000 0.277 445 C C 2.659 177.386 174.990 -0.438 0.000 1.262 445 C CA 0.634 59.332 59.018 -0.534 0.000 1.733 445 C CB -0.779 26.256 27.740 -1.174 0.000 2.010 445 C HN 0.515 nan 8.230 nan 0.000 0.483 446 I N 1.433 121.700 120.570 -0.506 0.000 2.179 446 I HA -0.201 3.961 4.170 -0.014 0.000 0.242 446 I C 2.751 178.720 176.117 -0.246 0.000 1.088 446 I CA 1.690 62.743 61.300 -0.412 0.000 1.357 446 I CB -0.557 37.052 38.000 -0.652 0.000 1.051 446 I HN 0.263 nan 8.210 nan 0.000 0.409 447 A N 0.483 123.126 122.820 -0.295 0.000 1.933 447 A HA -0.108 4.203 4.320 -0.014 0.000 0.218 447 A C 2.212 179.837 177.584 0.068 0.000 1.175 447 A CA 1.908 53.803 52.037 -0.236 0.000 0.628 447 A CB -1.171 17.474 19.000 -0.592 0.000 0.814 447 A HN 0.488 nan 8.150 nan 0.000 0.444 448 G N -1.304 107.479 108.800 -0.028 0.000 3.284 448 G HA2 0.418 4.370 3.960 -0.014 0.000 0.236 448 G HA3 0.418 4.370 3.960 -0.014 0.000 0.236 448 G C 0.097 174.837 174.900 -0.267 0.000 1.158 448 G CA 0.476 45.460 45.100 -0.193 0.000 0.774 448 G HN 0.338 nan 8.290 nan 0.000 0.545 449 S N -0.384 115.212 115.700 -0.174 0.000 2.536 449 S HA 0.320 4.781 4.470 -0.014 0.000 0.298 449 S C 0.754 175.300 174.600 -0.090 0.000 1.083 449 S CA -0.709 57.411 58.200 -0.134 0.000 0.995 449 S CB 1.284 64.407 63.200 -0.129 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N 0.041 119.073 119.070 -0.064 0.000 2.548 450 H HA 0.474 5.022 4.556 -0.014 0.000 0.268 450 H C 0.144 175.460 175.328 -0.021 0.000 0.975 450 H CA 0.323 56.361 56.048 -0.017 0.000 1.195 450 H CB 0.162 29.929 29.762 0.008 0.000 1.397 450 H HN 0.498 nan 8.280 nan 0.000 0.572 451 A N 1.018 123.553 122.820 -0.476 0.000 2.488 451 A HA 0.556 4.868 4.320 -0.014 0.000 0.298 451 A C -1.398 175.985 177.584 -0.335 0.000 1.044 451 A CA -0.581 51.229 52.037 -0.377 0.000 0.693 451 A CB 2.236 20.988 19.000 -0.414 0.000 1.272 451 A HN 0.097 nan 8.150 nan 0.000 0.402 452 V N 4.125 123.802 119.914 -0.396 0.000 2.531 452 V HA 0.538 4.650 4.120 -0.014 0.000 0.301 452 V C -0.748 175.142 176.094 -0.340 0.000 1.034 452 V CA -0.790 61.254 62.300 -0.427 0.000 0.865 452 V CB 1.776 33.172 31.823 -0.712 0.000 0.995 452 V HN 1.010 nan 8.190 nan 0.000 0.424 453 N N 3.113 121.637 118.700 -0.293 0.000 2.240 453 N HA 0.625 5.356 4.740 -0.014 0.000 0.302 453 N C -0.250 175.155 175.510 -0.176 0.000 1.106 453 N CA -0.363 52.565 53.050 -0.203 0.000 0.778 453 N CB 2.914 41.265 38.487 -0.228 0.000 1.431 453 N HN 0.637 nan 8.380 nan 0.000 0.479 454 G N -0.770 107.969 108.800 -0.102 0.000 2.557 454 G HA2 0.438 4.390 3.960 -0.014 0.000 0.302 454 G HA3 0.438 4.390 3.960 -0.014 0.000 0.302 454 G C 0.675 175.643 174.900 0.112 0.000 1.311 454 G CA -0.424 44.684 45.100 0.014 0.000 1.030 454 G HN 0.667 nan 8.290 nan 0.000 0.509 455 V N -4.073 116.018 119.914 0.296 0.000 3.380 455 V HA 0.711 4.823 4.120 -0.014 0.000 0.307 455 V C 0.489 176.663 176.094 0.132 0.000 1.434 455 V CA 0.422 62.802 62.300 0.134 0.000 1.075 455 V CB -0.609 31.238 31.823 0.039 0.000 0.954 455 V HN 1.360 nan 8.190 nan 0.000 0.444 456 A N -0.032 122.879 122.820 0.152 0.000 2.608 456 A HA 0.657 4.969 4.320 -0.014 0.000 0.292 456 A C 0.675 178.312 177.584 0.089 0.000 1.066 456 A CA -0.112 51.993 52.037 0.114 0.000 0.676 456 A CB 1.243 20.301 19.000 0.097 0.000 1.277 456 A HN 0.017 nan 8.150 nan 0.000 0.413 457 R N 0.612 121.144 120.500 0.053 0.000 2.083 457 R HA -0.139 4.192 4.340 -0.014 0.000 0.237 457 R C 1.643 177.945 176.300 0.004 0.000 1.137 457 R CA 2.217 58.326 56.100 0.015 0.000 0.951 457 R CB -0.222 30.081 30.300 0.004 0.000 0.851 457 R HN 0.815 nan 8.270 nan 0.000 0.434 458 I N 0.264 120.846 120.570 0.019 0.000 2.286 458 I HA -0.290 3.872 4.170 -0.014 0.000 0.248 458 I C 2.313 178.443 176.117 0.022 0.000 1.115 458 I CA 1.738 63.042 61.300 0.006 0.000 1.392 458 I CB -0.211 37.791 38.000 0.003 0.000 1.065 458 I HN 0.336 nan 8.210 nan 0.000 0.418 459 H N 0.299 119.346 119.070 -0.039 0.000 2.321 459 H HA -0.127 4.421 4.556 -0.014 0.000 0.300 459 H C 2.283 177.585 175.328 -0.044 0.000 1.087 459 H CA 2.220 58.242 56.048 -0.044 0.000 1.319 459 H CB -0.241 29.500 29.762 -0.034 0.000 1.379 459 H HN 0.235 nan 8.280 nan 0.000 0.501 460 S N 0.394 115.988 115.700 -0.177 0.000 2.382 460 S HA -0.127 4.335 4.470 -0.014 0.000 0.228 460 S C 1.900 176.389 174.600 -0.185 0.000 1.027 460 S CA 1.203 59.280 58.200 -0.205 0.000 0.991 460 S CB -0.074 63.072 63.200 -0.090 0.000 0.823 460 S HN 0.486 nan 8.310 nan 0.000 0.469 461 E N 1.220 121.331 120.200 -0.148 0.000 2.072 461 E HA -0.020 4.321 4.350 -0.014 0.000 0.191 461 E C 2.027 178.517 176.600 -0.182 0.000 0.985 461 E CA 0.686 56.987 56.400 -0.164 0.000 0.801 461 E CB -0.396 29.237 29.700 -0.111 0.000 0.750 461 E HN 0.511 nan 8.360 nan 0.000 0.452 462 I N 1.003 121.479 120.570 -0.156 0.000 2.286 462 I HA -0.272 3.890 4.170 -0.014 0.000 0.248 462 I C 2.387 178.384 176.117 -0.201 0.000 1.115 462 I CA 0.785 61.996 61.300 -0.150 0.000 1.392 462 I CB -0.241 37.702 38.000 -0.095 0.000 1.065 462 I HN 0.060 nan 8.210 nan 0.000 0.418 463 L N 0.366 121.439 121.223 -0.249 0.000 2.046 463 L HA -0.223 4.109 4.340 -0.014 0.000 0.208 463 L C 2.472 179.244 176.870 -0.164 0.000 1.077 463 L CA 1.554 56.277 54.840 -0.195 0.000 0.747 463 L CB -0.571 41.458 42.059 -0.050 0.000 0.896 463 L HN 0.211 nan 8.230 nan 0.000 0.432 464 K N -0.114 120.105 120.400 -0.303 0.000 2.167 464 K HA -0.084 4.228 4.320 -0.014 0.000 0.203 464 K C 2.033 178.421 176.600 -0.354 0.000 1.052 464 K CA 0.834 56.786 56.287 -0.558 0.000 0.956 464 K CB 0.084 31.995 32.500 -0.981 0.000 0.735 464 K HN 0.263 nan 8.250 nan 0.000 0.451 465 K N 0.026 120.281 120.400 -0.242 0.000 2.262 465 K HA -0.018 4.293 4.320 -0.014 0.000 0.200 465 K C 1.950 178.493 176.600 -0.096 0.000 1.049 465 K CA 1.417 57.617 56.287 -0.145 0.000 0.979 465 K CB 0.482 32.908 32.500 -0.124 0.000 0.773 465 K HN 0.265 nan 8.250 nan 0.000 0.474 466 T N -1.247 113.241 114.554 -0.111 0.000 3.409 466 T HA 0.053 4.395 4.350 -0.014 0.000 0.188 466 T C 1.985 176.629 174.700 -0.093 0.000 0.929 466 T CA -0.000 62.045 62.100 -0.090 0.000 1.184 466 T CB -0.749 68.062 68.868 -0.095 0.000 1.570 466 T HN 0.115 nan 8.240 nan 0.000 0.367 467 I N -0.989 119.460 120.570 -0.201 0.000 2.394 467 I HA 0.262 4.424 4.170 -0.014 0.000 0.251 467 I C 1.374 177.380 176.117 -0.184 0.000 1.136 467 I CA 1.238 62.367 61.300 -0.285 0.000 1.425 467 I CB -0.553 37.140 38.000 -0.511 0.000 1.079 467 I HN 0.241 nan 8.210 nan 0.000 0.425 468 F N 1.015 121.040 119.950 0.125 0.000 2.708 468 F HA 0.344 4.862 4.527 -0.014 0.000 0.300 468 F C 2.008 177.912 175.800 0.173 0.000 1.118 468 F CA -0.614 57.536 58.000 0.250 0.000 1.307 468 F CB 0.111 39.276 39.000 0.275 0.000 0.986 468 F HN -0.076 nan 8.300 nan 0.000 0.522 469 K N 1.091 121.602 120.400 0.185 0.000 2.044 469 K HA -0.231 4.081 4.320 -0.014 0.000 0.210 469 K C 1.317 177.976 176.600 0.097 0.000 1.049 469 K CA 2.275 58.615 56.287 0.089 0.000 0.927 469 K CB -0.049 32.466 32.500 0.025 0.000 0.713 469 K HN 0.162 nan 8.250 nan 0.000 0.443 470 D N -0.128 120.307 120.400 0.059 0.000 2.123 470 D HA -0.160 4.472 4.640 -0.014 0.000 0.196 470 D C 1.822 178.033 176.300 -0.148 0.000 0.992 470 D CA 1.258 55.163 54.000 -0.159 0.000 0.833 470 D CB -0.299 40.309 40.800 -0.320 0.000 0.954 470 D HN 0.261 nan 8.370 nan 0.000 0.455 471 F N -0.187 119.841 119.950 0.129 0.000 2.146 471 F HA -0.141 4.378 4.527 -0.014 0.000 0.298 471 F C 2.352 178.291 175.800 0.232 0.000 1.096 471 F CA 0.510 58.663 58.000 0.255 0.000 1.275 471 F CB -0.688 38.541 39.000 0.382 0.000 1.008 471 F HN -0.039 nan 8.300 nan 0.000 0.480 472 Y N 1.404 121.677 120.300 -0.044 0.000 2.224 472 Y HA -0.218 4.323 4.550 -0.014 0.000 0.289 472 Y C 2.133 178.006 175.900 -0.045 0.000 1.146 472 Y CA 1.691 59.568 58.100 -0.372 0.000 1.182 472 Y CB -0.608 37.455 38.460 -0.661 0.000 0.983 472 Y HN 0.141 nan 8.280 nan 0.000 0.524 473 E N -0.458 119.692 120.200 -0.083 0.000 2.106 473 E HA -0.195 4.146 4.350 -0.014 0.000 0.192 473 E C 2.011 178.669 176.600 0.096 0.000 0.984 473 E CA 1.181 57.549 56.400 -0.054 0.000 0.806 473 E CB -0.282 29.433 29.700 0.025 0.000 0.750 473 E HN 0.424 nan 8.360 nan 0.000 0.458 474 L N 1.006 122.322 121.223 0.155 0.000 2.044 474 L HA -0.071 4.261 4.340 -0.014 0.000 0.205 474 L C 0.271 177.233 176.870 0.154 0.000 1.075 474 L CA 1.734 56.706 54.840 0.219 0.000 0.747 474 L CB 0.324 42.500 42.059 0.195 0.000 0.903 474 L HN -0.088 nan 8.230 nan 0.000 0.435 475 E N -0.334 119.952 120.200 0.143 0.000 3.386 475 E HA 0.178 4.520 4.350 -0.014 0.000 0.236 475 E C -1.997 174.555 176.600 -0.080 0.000 1.227 475 E CA -1.253 55.160 56.400 0.021 0.000 0.970 475 E CB 0.786 30.494 29.700 0.013 0.000 1.343 475 E HN 0.196 nan 8.360 nan 0.000 0.397 476 P HA -0.250 nan 4.420 nan 0.000 0.218 476 P C 1.252 178.645 177.300 0.155 0.000 1.148 476 P CA 1.405 64.412 63.100 -0.155 0.000 0.822 476 P CB -0.081 31.421 31.700 -0.331 0.000 0.784 477 H N 0.229 119.401 119.070 0.170 0.000 2.489 477 H HA 0.031 4.579 4.556 -0.014 0.000 0.293 477 H C 1.438 176.864 175.328 0.165 0.000 1.066 477 H CA 0.886 57.027 56.048 0.155 0.000 1.305 477 H CB -0.729 29.094 29.762 0.103 0.000 1.386 477 H HN 0.166 nan 8.280 nan 0.000 0.551 478 K N 0.235 120.527 120.400 -0.179 0.000 2.288 478 K HA 0.039 4.350 4.320 -0.014 0.000 0.201 478 K C -0.167 176.315 176.600 -0.198 0.000 1.048 478 K CA 0.247 56.427 56.287 -0.179 0.000 0.956 478 K CB 0.110 32.397 32.500 -0.355 0.000 0.746 478 K HN 0.118 nan 8.250 nan 0.000 0.461 479 F N 1.641 121.616 119.950 0.041 0.000 2.411 479 F HA 0.197 4.715 4.527 -0.014 0.000 0.350 479 F C 0.463 176.269 175.800 0.009 0.000 1.114 479 F CA -0.324 57.706 58.000 0.049 0.000 1.135 479 F CB 1.049 40.137 39.000 0.148 0.000 1.120 479 F HN -0.132 nan 8.300 nan 0.000 0.495 480 Q N 1.858 121.692 119.800 0.057 0.000 2.528 480 Q HA 0.337 4.669 4.340 -0.014 0.000 0.289 480 Q C -1.189 174.775 176.000 -0.059 0.000 1.091 480 Q CA -1.236 54.552 55.803 -0.024 0.000 0.797 480 Q CB 3.196 31.864 28.738 -0.117 0.000 1.466 480 Q HN 0.618 nan 8.270 nan 0.000 0.436 481 N N 0.819 119.468 118.700 -0.085 0.000 2.314 481 N HA 0.269 5.000 4.740 -0.014 0.000 0.304 481 N C -1.403 174.012 175.510 -0.157 0.000 1.073 481 N CA -0.389 52.606 53.050 -0.092 0.000 0.822 481 N CB 0.973 39.427 38.487 -0.054 0.000 1.280 481 N HN 0.270 nan 8.380 nan 0.000 0.489 482 K N 2.727 123.036 120.400 -0.153 0.000 2.675 482 K HA 0.193 4.504 4.320 -0.014 0.000 0.224 482 K C -0.931 175.678 176.600 0.015 0.000 1.003 482 K CA -0.492 55.681 56.287 -0.189 0.000 1.034 482 K CB 1.266 33.433 32.500 -0.554 0.000 1.218 482 K HN 0.538 nan 8.250 nan 0.000 0.507 483 T N 2.042 116.622 114.554 0.043 0.000 2.928 483 T HA 0.071 4.413 4.350 -0.014 0.000 0.305 483 T C 0.793 175.621 174.700 0.214 0.000 1.035 483 T CA 0.266 62.442 62.100 0.127 0.000 1.145 483 T CB 0.362 69.306 68.868 0.126 0.000 0.963 483 T HN 0.359 nan 8.240 nan 0.000 0.545 484 N N 0.486 119.335 118.700 0.248 0.000 2.297 484 N HA 0.418 5.150 4.740 -0.014 0.000 0.232 484 N C 0.444 176.147 175.510 0.321 0.000 1.311 484 N CA -0.185 53.046 53.050 0.302 0.000 0.897 484 N CB 0.400 39.006 38.487 0.198 0.000 1.137 484 N HN 0.760 nan 8.380 nan 0.000 0.449 485 G N -0.627 108.371 108.800 0.330 0.000 2.682 485 G HA2 0.601 4.553 3.960 -0.014 0.000 0.290 485 G HA3 0.601 4.553 3.960 -0.014 0.000 0.290 485 G C -1.398 173.641 174.900 0.232 0.000 1.425 485 G CA -0.733 44.545 45.100 0.298 0.000 0.807 485 G HN 0.600 nan 8.290 nan 0.000 0.482 486 I N -2.375 118.315 120.570 0.200 0.000 2.934 486 I HA 0.764 4.925 4.170 -0.014 0.000 0.306 486 I C -0.229 176.043 176.117 0.259 0.000 1.110 486 I CA -0.955 60.455 61.300 0.182 0.000 1.019 486 I CB 2.456 40.460 38.000 0.007 0.000 1.227 486 I HN 0.490 nan 8.210 nan 0.000 0.434 487 T N 3.924 118.687 114.554 0.348 0.000 2.794 487 T HA 0.379 4.721 4.350 -0.014 0.000 0.296 487 T C -1.522 173.298 174.700 0.200 0.000 0.949 487 T CA -1.631 60.601 62.100 0.220 0.000 1.101 487 T CB 0.794 69.741 68.868 0.131 0.000 0.905 487 T HN 0.634 nan 8.240 nan 0.000 0.516 488 P HA 0.100 nan 4.420 nan 0.000 0.245 488 P C 1.023 178.290 177.300 -0.055 0.000 1.212 488 P CA 0.180 63.318 63.100 0.063 0.000 0.774 488 P CB 0.365 32.091 31.700 0.042 0.000 0.999 489 R N 0.517 120.941 120.500 -0.127 0.000 2.060 489 R HA 0.022 4.353 4.340 -0.014 0.000 0.225 489 R C 2.655 178.838 176.300 -0.195 0.000 1.155 489 R CA 1.516 57.500 56.100 -0.194 0.000 0.930 489 R CB -1.252 28.937 30.300 -0.184 0.000 0.829 489 R HN 0.022 nan 8.270 nan 0.000 0.433 490 R N -0.747 119.580 120.500 -0.289 0.000 2.091 490 R HA -0.142 4.190 4.340 -0.014 0.000 0.238 490 R C 1.123 177.072 176.300 -0.585 0.000 1.136 490 R CA 1.823 57.586 56.100 -0.562 0.000 0.959 490 R CB -0.196 29.554 30.300 -0.916 0.000 0.856 490 R HN 0.311 nan 8.270 nan 0.000 0.437 491 W N -0.507 120.751 121.300 -0.070 0.000 3.353 491 W HA 0.162 4.813 4.660 -0.015 0.000 0.304 491 W C 0.979 177.468 176.519 -0.050 0.000 1.273 491 W CA -0.700 56.602 57.345 -0.071 0.000 1.773 491 W CB 0.427 29.848 29.460 -0.066 0.000 1.095 491 W HN 0.227 nan 8.180 nan 0.000 0.676 492 L N -2.267 119.009 121.223 0.089 0.000 2.681 492 L HA 0.188 4.520 4.340 -0.014 0.000 0.163 492 L C 1.765 178.650 176.870 0.025 0.000 1.188 492 L CA 0.763 55.651 54.840 0.080 0.000 0.944 492 L CB -0.835 41.297 42.059 0.122 0.000 1.835 492 L HN -0.252 nan 8.230 nan 0.000 0.510 493 V N 1.099 121.004 119.914 -0.014 0.000 2.287 493 V HA -0.272 3.839 4.120 -0.014 0.000 0.248 493 V C 2.444 178.513 176.094 -0.042 0.000 1.053 493 V CA 2.472 64.755 62.300 -0.027 0.000 1.027 493 V CB -0.692 31.086 31.823 -0.075 0.000 0.646 493 V HN 0.510 nan 8.190 nan 0.000 0.447 494 L N 0.511 121.679 121.223 -0.092 0.000 1.988 494 L HA -0.192 4.139 4.340 -0.014 0.000 0.207 494 L C 2.535 179.344 176.870 -0.101 0.000 1.071 494 L CA 2.463 57.233 54.840 -0.117 0.000 0.744 494 L CB -0.308 41.629 42.059 -0.204 0.000 0.893 494 L HN 0.649 nan 8.230 nan 0.000 0.433 495 C N -1.734 117.499 119.300 -0.112 0.000 2.514 495 C HA 0.178 4.630 4.460 -0.014 0.000 0.271 495 C C 1.243 176.219 174.990 -0.023 0.000 1.399 495 C CA -0.186 58.785 59.018 -0.077 0.000 1.765 495 C CB -1.064 26.631 27.740 -0.076 0.000 1.893 495 C HN 0.614 nan 8.230 nan 0.000 0.531 496 N N 1.113 119.810 118.700 -0.005 0.000 2.703 496 N HA 0.284 5.015 4.740 -0.014 0.000 0.283 496 N C -1.741 173.783 175.510 0.023 0.000 1.851 496 N CA -1.628 51.432 53.050 0.015 0.000 0.826 496 N CB 0.688 39.193 38.487 0.030 0.000 1.239 496 N HN 0.242 nan 8.380 nan 0.000 0.495 497 P HA -0.039 nan 4.420 nan 0.000 0.217 497 P C 1.437 178.756 177.300 0.031 0.000 1.150 497 P CA 0.904 64.017 63.100 0.022 0.000 0.832 497 P CB 0.208 31.914 31.700 0.011 0.000 0.787 498 G N 0.792 109.605 108.800 0.022 0.000 2.476 498 G HA2 -0.270 3.682 3.960 -0.014 0.000 0.218 498 G HA3 -0.270 3.682 3.960 -0.014 0.000 0.218 498 G C 1.542 176.454 174.900 0.020 0.000 1.164 498 G CA 0.839 45.949 45.100 0.017 0.000 0.768 498 G HN 0.256 nan 8.290 nan 0.000 0.560 499 L N 1.252 122.489 121.223 0.023 0.000 2.056 499 L HA 0.241 4.573 4.340 -0.014 0.000 0.207 499 L C 3.103 180.010 176.870 0.061 0.000 1.078 499 L CA 2.029 56.883 54.840 0.024 0.000 0.749 499 L CB -0.744 41.330 42.059 0.024 0.000 0.901 499 L HN 0.240 nan 8.230 nan 0.000 0.433 500 A N -0.786 122.091 122.820 0.095 0.000 1.940 500 A HA -0.273 4.039 4.320 -0.014 0.000 0.219 500 A C 2.251 179.938 177.584 0.170 0.000 1.176 500 A CA 1.918 54.063 52.037 0.181 0.000 0.631 500 A CB -0.662 18.432 19.000 0.156 0.000 0.814 500 A HN 0.551 nan 8.150 nan 0.000 0.446 501 E N 0.498 120.758 120.200 0.100 0.000 2.046 501 E HA -0.130 4.211 4.350 -0.014 0.000 0.190 501 E C 1.815 178.459 176.600 0.073 0.000 0.982 501 E CA 1.456 57.904 56.400 0.081 0.000 0.800 501 E CB -0.482 29.248 29.700 0.050 0.000 0.756 501 E HN 0.749 nan 8.360 nan 0.000 0.449 502 I N -1.825 118.783 120.570 0.064 0.000 2.493 502 I HA -0.082 4.080 4.170 -0.014 0.000 0.254 502 I C 2.022 178.219 176.117 0.132 0.000 1.160 502 I CA 0.936 62.286 61.300 0.084 0.000 1.445 502 I CB -0.268 37.762 38.000 0.049 0.000 1.086 502 I HN 0.010 nan 8.210 nan 0.000 0.433 503 I N 1.944 122.564 120.570 0.083 0.000 2.233 503 I HA -0.152 4.010 4.170 -0.014 0.000 0.243 503 I C 2.994 179.061 176.117 -0.082 0.000 1.093 503 I CA 1.281 62.549 61.300 -0.053 0.000 1.380 503 I CB -0.501 37.346 38.000 -0.256 0.000 1.067 503 I HN 0.279 nan 8.210 nan 0.000 0.413 504 A N 0.405 123.276 122.820 0.085 0.000 1.978 504 A HA -0.238 4.074 4.320 -0.014 0.000 0.220 504 A C 2.174 179.792 177.584 0.057 0.000 1.170 504 A CA 1.682 53.820 52.037 0.168 0.000 0.636 504 A CB -0.628 18.505 19.000 0.221 0.000 0.810 504 A HN 0.447 nan 8.150 nan 0.000 0.448 505 E N -0.673 119.543 120.200 0.026 0.000 2.118 505 E HA -0.208 4.133 4.350 -0.014 0.000 0.195 505 E C 2.260 178.830 176.600 -0.050 0.000 0.992 505 E CA 1.258 57.658 56.400 0.002 0.000 0.804 505 E CB -0.061 29.647 29.700 0.013 0.000 0.741 505 E HN 0.524 nan 8.360 nan 0.000 0.458 506 R N 0.047 120.457 120.500 -0.149 0.000 2.105 506 R HA 0.074 4.405 4.340 -0.014 0.000 0.214 506 R C 2.303 178.507 176.300 -0.161 0.000 1.091 506 R CA 0.879 56.813 56.100 -0.278 0.000 1.007 506 R CB -0.141 29.668 30.300 -0.819 0.000 0.912 506 R HN 0.319 nan 8.270 nan 0.000 0.450 507 I N -2.965 117.526 120.570 -0.131 0.000 4.081 507 I HA 0.433 4.595 4.170 -0.014 0.000 0.333 507 I C 0.413 176.563 176.117 0.055 0.000 1.413 507 I CA 0.036 61.312 61.300 -0.040 0.000 1.110 507 I CB 0.908 38.861 38.000 -0.079 0.000 1.082 507 I HN 0.173 nan 8.210 nan 0.000 0.402 508 G N 1.938 110.784 108.800 0.076 0.000 2.698 508 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.225 508 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.225 508 G C -0.003 175.025 174.900 0.213 0.000 1.345 508 G CA 0.204 45.372 45.100 0.113 0.000 0.871 508 G HN 0.416 nan 8.290 nan 0.000 0.540 509 E N -0.319 119.959 120.200 0.130 0.000 2.452 509 E HA 0.051 4.392 4.350 -0.014 0.000 0.197 509 E C 1.969 178.529 176.600 -0.066 0.000 1.022 509 E CA 0.072 56.498 56.400 0.043 0.000 0.890 509 E CB 0.129 29.844 29.700 0.024 0.000 0.918 509 E HN 0.499 nan 8.360 nan 0.000 0.496 510 E N 0.448 120.675 120.200 0.045 0.000 2.267 510 E HA -0.190 4.151 4.350 -0.014 0.000 0.197 510 E C 1.769 178.368 176.600 -0.003 0.000 0.998 510 E CA 0.880 57.296 56.400 0.028 0.000 0.830 510 E CB -0.069 29.669 29.700 0.063 0.000 0.751 510 E HN 0.528 nan 8.360 nan 0.000 0.491 511 Y N -0.961 119.343 120.300 0.008 0.000 2.421 511 Y HA -0.023 4.520 4.550 -0.013 0.000 0.292 511 Y C 1.965 177.843 175.900 -0.035 0.000 1.136 511 Y CA 0.488 58.584 58.100 -0.007 0.000 1.255 511 Y CB -0.756 37.702 38.460 -0.003 0.000 0.991 511 Y HN -0.101 nan 8.280 nan 0.000 0.552 512 I N 0.987 121.081 120.570 -0.793 0.000 2.335 512 I HA -0.243 3.918 4.170 -0.014 0.000 0.251 512 I C 1.744 177.609 176.117 -0.421 0.000 1.129 512 I CA 1.853 62.735 61.300 -0.696 0.000 1.402 512 I CB -0.369 37.131 38.000 -0.833 0.000 1.069 512 I HN 0.481 nan 8.210 nan 0.000 0.424 513 S N -2.131 113.429 115.700 -0.233 0.000 2.663 513 S HA 0.172 4.634 4.470 -0.014 0.000 0.243 513 S C 0.170 174.756 174.600 -0.024 0.000 1.009 513 S CA -0.480 57.660 58.200 -0.099 0.000 0.988 513 S CB 0.304 63.512 63.200 0.013 0.000 0.896 513 S HN 0.268 nan 8.310 nan 0.000 0.502 514 D N 0.734 121.129 120.400 -0.008 0.000 2.823 514 D HA 0.250 4.882 4.640 -0.014 0.000 0.255 514 D C 0.355 176.698 176.300 0.071 0.000 1.257 514 D CA -0.377 53.642 54.000 0.031 0.000 0.803 514 D CB 0.490 41.314 40.800 0.039 0.000 1.384 514 D HN 0.114 nan 8.370 nan 0.000 0.541 515 L N 1.220 122.485 121.223 0.069 0.000 2.265 515 L HA -0.018 4.314 4.340 -0.014 0.000 0.215 515 L C 1.423 178.346 176.870 0.089 0.000 1.117 515 L CA 1.550 56.460 54.840 0.117 0.000 0.782 515 L CB -0.055 42.067 42.059 0.105 0.000 0.914 515 L HN 0.244 nan 8.230 nan 0.000 0.441 516 D N -0.657 119.771 120.400 0.047 0.000 2.265 516 D HA -0.232 4.400 4.640 -0.014 0.000 0.208 516 D C 1.950 178.271 176.300 0.035 0.000 0.977 516 D CA 0.888 54.902 54.000 0.024 0.000 0.871 516 D CB 0.013 40.814 40.800 0.003 0.000 0.925 516 D HN 0.555 nan 8.370 nan 0.000 0.485 517 Q N -0.068 119.770 119.800 0.063 0.000 2.364 517 Q HA -0.073 4.259 4.340 -0.014 0.000 0.209 517 Q C 2.294 178.311 176.000 0.027 0.000 0.977 517 Q CA 0.309 56.149 55.803 0.062 0.000 0.885 517 Q CB -0.028 28.775 28.738 0.110 0.000 0.941 517 Q HN 0.401 nan 8.270 nan 0.000 0.464 518 L N 0.153 121.386 121.223 0.016 0.000 2.261 518 L HA -0.191 4.141 4.340 -0.014 0.000 0.216 518 L C 2.275 179.136 176.870 -0.015 0.000 1.114 518 L CA 0.833 55.648 54.840 -0.043 0.000 0.777 518 L CB -0.373 41.672 42.059 -0.024 0.000 0.910 518 L HN 0.209 nan 8.230 nan 0.000 0.440 519 R N 0.374 120.878 120.500 0.006 0.000 2.139 519 R HA -0.203 4.129 4.340 -0.014 0.000 0.243 519 R C 2.129 178.435 176.300 0.010 0.000 1.145 519 R CA 1.202 57.308 56.100 0.010 0.000 0.976 519 R CB -0.270 30.033 30.300 0.006 0.000 0.866 519 R HN 0.403 nan 8.270 nan 0.000 0.449 520 K N 0.619 121.024 120.400 0.008 0.000 2.211 520 K HA -0.125 4.187 4.320 -0.014 0.000 0.204 520 K C 1.905 178.547 176.600 0.070 0.000 1.047 520 K CA 0.982 57.285 56.287 0.027 0.000 0.935 520 K CB -0.132 32.386 32.500 0.029 0.000 0.728 520 K HN 0.223 nan 8.250 nan 0.000 0.452 521 L N 0.575 121.811 121.223 0.022 0.000 2.362 521 L HA -0.154 4.177 4.340 -0.014 0.000 0.219 521 L C 1.850 178.781 176.870 0.101 0.000 1.134 521 L CA 0.071 54.928 54.840 0.030 0.000 0.807 521 L CB -0.307 41.725 42.059 -0.045 0.000 0.927 521 L HN 0.133 nan 8.230 nan 0.000 0.447 522 L N 0.108 121.366 121.223 0.058 0.000 2.127 522 L HA -0.187 4.144 4.340 -0.014 0.000 0.211 522 L C 2.669 179.538 176.870 -0.002 0.000 1.089 522 L CA 1.945 56.807 54.840 0.037 0.000 0.757 522 L CB -1.040 41.027 42.059 0.013 0.000 0.899 522 L HN 0.368 nan 8.230 nan 0.000 0.434 523 S N -2.800 112.863 115.700 -0.062 0.000 2.660 523 S HA -0.055 4.406 4.470 -0.014 0.000 0.223 523 S C 1.208 175.555 174.600 -0.421 0.000 0.963 523 S CA 0.142 58.206 58.200 -0.226 0.000 0.932 523 S CB -0.536 62.493 63.200 -0.284 0.000 0.775 523 S HN 0.456 nan 8.310 nan 0.000 0.531 524 Y N -0.482 119.751 120.300 -0.112 0.000 2.481 524 Y HA 0.417 4.965 4.550 -0.003 0.000 0.247 524 Y C 1.943 177.878 175.900 0.058 0.000 1.151 524 Y CA -0.542 57.490 58.100 -0.112 0.000 1.238 524 Y CB 0.207 38.396 38.460 -0.452 0.000 1.179 524 Y HN 0.258 nan 8.280 nan 0.000 0.524 525 V N 0.433 120.437 119.914 0.151 0.000 2.720 525 V HA -0.214 3.898 4.120 -0.014 0.000 0.256 525 V C 0.907 177.069 176.094 0.112 0.000 1.082 525 V CA 2.176 64.564 62.300 0.147 0.000 1.101 525 V CB -0.041 31.832 31.823 0.083 0.000 0.693 525 V HN 0.348 nan 8.190 nan 0.000 0.479 526 D N -0.717 119.729 120.400 0.075 0.000 2.395 526 D HA 0.116 4.748 4.640 -0.014 0.000 0.213 526 D C 0.360 176.704 176.300 0.074 0.000 1.110 526 D CA 0.008 54.041 54.000 0.056 0.000 0.835 526 D CB 0.128 40.938 40.800 0.016 0.000 0.965 526 D HN 0.436 nan 8.370 nan 0.000 0.505 527 D N 1.467 121.947 120.400 0.132 0.000 2.336 527 D HA -0.021 4.610 4.640 -0.014 0.000 0.249 527 D C 1.161 177.569 176.300 0.180 0.000 1.213 527 D CA -0.033 54.067 54.000 0.167 0.000 0.870 527 D CB 1.648 42.617 40.800 0.281 0.000 1.076 527 D HN -0.169 nan 8.370 nan 0.000 0.483 528 E N 3.482 123.751 120.200 0.116 0.000 2.153 528 E HA -0.144 4.197 4.350 -0.014 0.000 0.194 528 E C 1.686 178.341 176.600 0.093 0.000 0.988 528 E CA 1.436 57.888 56.400 0.087 0.000 0.811 528 E CB 0.009 29.742 29.700 0.055 0.000 0.746 528 E HN 0.564 nan 8.360 nan 0.000 0.466 529 A N -0.163 122.729 122.820 0.119 0.000 1.873 529 A HA -0.131 4.180 4.320 -0.014 0.000 0.215 529 A C 2.239 179.912 177.584 0.149 0.000 1.186 529 A CA 1.346 53.452 52.037 0.115 0.000 0.616 529 A CB -1.032 18.040 19.000 0.120 0.000 0.823 529 A HN 0.459 nan 8.150 nan 0.000 0.442 530 F N 0.458 120.434 119.950 0.043 0.000 2.102 530 F HA -0.182 4.337 4.527 -0.013 0.000 0.298 530 F C 2.069 177.880 175.800 0.019 0.000 1.105 530 F CA 1.746 59.757 58.000 0.018 0.000 1.239 530 F CB -0.145 38.881 39.000 0.044 0.000 0.991 530 F HN 0.173 nan 8.300 nan 0.000 0.474 531 I N 0.291 120.887 120.570 0.043 0.000 2.151 531 I HA -0.383 3.778 4.170 -0.014 0.000 0.243 531 I C 2.608 178.670 176.117 -0.091 0.000 1.080 531 I CA 1.891 63.164 61.300 -0.046 0.000 1.339 531 I CB -0.565 37.458 38.000 0.038 0.000 1.039 531 I HN 0.129 nan 8.210 nan 0.000 0.409 532 R N 0.839 121.312 120.500 -0.046 0.000 2.096 532 R HA -0.191 4.140 4.340 -0.014 0.000 0.235 532 R C 1.825 178.074 176.300 -0.084 0.000 1.127 532 R CA 1.932 58.004 56.100 -0.048 0.000 0.968 532 R CB -0.163 30.128 30.300 -0.014 0.000 0.861 532 R HN 0.281 nan 8.270 nan 0.000 0.440 533 D N -0.120 120.210 120.400 -0.117 0.000 2.117 533 D HA -0.108 4.524 4.640 -0.014 0.000 0.198 533 D C 1.957 178.128 176.300 -0.215 0.000 0.982 533 D CA 1.169 55.085 54.000 -0.140 0.000 0.828 533 D CB -0.112 40.619 40.800 -0.115 0.000 0.967 533 D HN 0.085 nan 8.370 nan 0.000 0.464 534 V N 1.393 121.086 119.914 -0.369 0.000 2.295 534 V HA -0.241 3.871 4.120 -0.014 0.000 0.246 534 V C 2.510 178.512 176.094 -0.155 0.000 1.049 534 V CA 1.903 64.001 62.300 -0.337 0.000 1.024 534 V CB -0.811 30.736 31.823 -0.460 0.000 0.648 534 V HN 0.188 nan 8.190 nan 0.000 0.447 535 A N -0.519 122.231 122.820 -0.116 0.000 1.933 535 A HA -0.245 4.067 4.320 -0.014 0.000 0.218 535 A C 2.355 179.903 177.584 -0.060 0.000 1.175 535 A CA 2.074 54.075 52.037 -0.060 0.000 0.628 535 A CB -0.457 18.512 19.000 -0.052 0.000 0.814 535 A HN 0.527 nan 8.150 nan 0.000 0.444 536 K N -0.223 120.137 120.400 -0.067 0.000 2.057 536 K HA -0.072 4.239 4.320 -0.014 0.000 0.206 536 K C 1.826 178.401 176.600 -0.043 0.000 1.050 536 K CA 1.502 57.758 56.287 -0.051 0.000 0.935 536 K CB -0.252 32.221 32.500 -0.046 0.000 0.715 536 K HN 0.222 nan 8.250 nan 0.000 0.439 537 V N 1.817 121.700 119.914 -0.051 0.000 2.332 537 V HA -0.253 3.859 4.120 -0.014 0.000 0.248 537 V C 2.391 178.472 176.094 -0.023 0.000 1.055 537 V CA 2.014 64.293 62.300 -0.035 0.000 1.038 537 V CB -0.464 31.332 31.823 -0.044 0.000 0.651 537 V HN 0.357 nan 8.190 nan 0.000 0.450 538 K N 0.411 120.794 120.400 -0.027 0.000 2.032 538 K HA -0.241 4.071 4.320 -0.014 0.000 0.209 538 K C 2.178 178.752 176.600 -0.044 0.000 1.048 538 K CA 1.896 58.172 56.287 -0.017 0.000 0.927 538 K CB -0.547 31.958 32.500 0.007 0.000 0.712 538 K HN 0.380 nan 8.250 nan 0.000 0.441 539 Q N 1.014 120.781 119.800 -0.054 0.000 2.096 539 Q HA -0.149 4.183 4.340 -0.014 0.000 0.204 539 Q C 1.704 177.683 176.000 -0.034 0.000 0.982 539 Q CA 2.158 57.921 55.803 -0.067 0.000 0.850 539 Q CB -0.135 28.568 28.738 -0.058 0.000 0.901 539 Q HN 0.529 nan 8.270 nan 0.000 0.422 540 E N -0.468 119.725 120.200 -0.013 0.000 2.077 540 E HA -0.178 4.164 4.350 -0.014 0.000 0.193 540 E C 1.789 178.412 176.600 0.039 0.000 0.989 540 E CA 1.061 57.468 56.400 0.013 0.000 0.800 540 E CB -0.144 29.562 29.700 0.010 0.000 0.746 540 E HN 0.408 nan 8.360 nan 0.000 0.452 541 N N 1.059 119.779 118.700 0.032 0.000 2.120 541 N HA -0.136 4.596 4.740 -0.014 0.000 0.188 541 N C 1.519 177.103 175.510 0.122 0.000 1.024 541 N CA 1.085 54.175 53.050 0.066 0.000 0.852 541 N CB -0.104 38.407 38.487 0.040 0.000 1.003 541 N HN 0.153 nan 8.380 nan 0.000 0.424 542 K N 0.551 120.981 120.400 0.050 0.000 2.097 542 K HA 0.029 4.340 4.320 -0.014 0.000 0.205 542 K C 2.117 178.834 176.600 0.195 0.000 1.050 542 K CA 0.589 56.910 56.287 0.057 0.000 0.938 542 K CB -0.140 32.121 32.500 -0.397 0.000 0.718 542 K HN 0.102 nan 8.250 nan 0.000 0.442 543 L N 1.283 122.570 121.223 0.107 0.000 2.017 543 L HA -0.213 4.118 4.340 -0.014 0.000 0.208 543 L C 2.644 179.612 176.870 0.164 0.000 1.073 543 L CA 1.382 56.295 54.840 0.122 0.000 0.745 543 L CB -0.369 41.731 42.059 0.068 0.000 0.894 543 L HN 0.172 nan 8.230 nan 0.000 0.432 544 K N -0.258 120.241 120.400 0.165 0.000 2.063 544 K HA -0.254 4.058 4.320 -0.014 0.000 0.208 544 K C 2.184 178.939 176.600 0.258 0.000 1.048 544 K CA 1.748 58.142 56.287 0.179 0.000 0.928 544 K CB -0.193 32.398 32.500 0.152 0.000 0.713 544 K HN 0.096 nan 8.250 nan 0.000 0.442 545 F N 1.010 121.063 119.950 0.172 0.000 2.206 545 F HA -0.003 4.516 4.527 -0.014 0.000 0.298 545 F C 2.008 177.966 175.800 0.264 0.000 1.090 545 F CA 1.104 59.231 58.000 0.211 0.000 1.323 545 F CB -0.346 38.779 39.000 0.207 0.000 1.028 545 F HN 0.092 nan 8.300 nan 0.000 0.492 546 A N 0.251 123.244 122.820 0.289 0.000 1.933 546 A HA -0.089 4.222 4.320 -0.014 0.000 0.218 546 A C 2.401 180.034 177.584 0.081 0.000 1.175 546 A CA 1.775 53.918 52.037 0.177 0.000 0.628 546 A CB -1.463 17.697 19.000 0.267 0.000 0.814 546 A HN 0.446 nan 8.150 nan 0.000 0.444 547 A N -1.492 121.392 122.820 0.106 0.000 1.898 547 A HA -0.083 4.228 4.320 -0.014 0.000 0.216 547 A C 2.129 179.745 177.584 0.053 0.000 1.181 547 A CA 1.556 53.641 52.037 0.080 0.000 0.620 547 A CB -0.858 18.198 19.000 0.095 0.000 0.819 547 A HN 0.748 nan 8.150 nan 0.000 0.442 548 Y N 0.575 120.831 120.300 -0.074 0.000 2.165 548 Y HA -0.198 4.343 4.550 -0.014 0.000 0.286 548 Y C 1.908 177.726 175.900 -0.137 0.000 1.155 548 Y CA 1.934 59.968 58.100 -0.110 0.000 1.164 548 Y CB -0.247 38.124 38.460 -0.149 0.000 0.978 548 Y HN 0.218 nan 8.280 nan 0.000 0.513 549 L N -0.106 121.036 121.223 -0.134 0.000 2.141 549 L HA -0.180 4.152 4.340 -0.014 0.000 0.209 549 L C 2.320 179.148 176.870 -0.071 0.000 1.094 549 L CA 1.557 56.316 54.840 -0.134 0.000 0.763 549 L CB -0.431 41.514 42.059 -0.190 0.000 0.908 549 L HN 0.338 nan 8.230 nan 0.000 0.437 550 E N -0.242 119.930 120.200 -0.046 0.000 2.051 550 E HA -0.140 4.202 4.350 -0.014 0.000 0.189 550 E C 2.314 178.883 176.600 -0.051 0.000 0.979 550 E CA 0.612 57.011 56.400 -0.000 0.000 0.803 550 E CB 0.056 29.801 29.700 0.075 0.000 0.761 550 E HN 0.424 nan 8.360 nan 0.000 0.451 551 R N 0.866 121.308 120.500 -0.097 0.000 2.070 551 R HA -0.140 4.192 4.340 -0.014 0.000 0.233 551 R C 1.993 178.156 176.300 -0.227 0.000 1.137 551 R CA 1.313 57.334 56.100 -0.131 0.000 0.945 551 R CB -0.084 30.145 30.300 -0.118 0.000 0.845 551 R HN -0.001 nan 8.270 nan 0.000 0.430 552 E N -1.511 118.455 120.200 -0.389 0.000 2.442 552 E HA -0.011 4.330 4.350 -0.014 0.000 0.195 552 E C 0.071 176.226 176.600 -0.741 0.000 1.030 552 E CA 0.673 56.717 56.400 -0.594 0.000 0.869 552 E CB 0.498 29.675 29.700 -0.871 0.000 0.857 552 E HN 0.339 nan 8.360 nan 0.000 0.505 553 Y N -0.722 119.456 120.300 -0.203 0.000 2.729 553 Y HA 0.189 4.731 4.550 -0.014 0.000 0.266 553 Y C -0.134 175.695 175.900 -0.119 0.000 1.064 553 Y CA -0.578 57.442 58.100 -0.134 0.000 1.251 553 Y CB 0.885 39.271 38.460 -0.124 0.000 1.379 553 Y HN -0.249 nan 8.280 nan 0.000 0.569 554 K N 0.227 120.619 120.400 -0.014 0.000 3.012 554 K HA -0.149 4.163 4.320 -0.014 0.000 0.259 554 K C -0.380 176.092 176.600 -0.212 0.000 0.989 554 K CA 0.915 57.171 56.287 -0.051 0.000 0.728 554 K CB -2.525 29.961 32.500 -0.024 0.000 1.260 554 K HN 0.266 nan 8.250 nan 0.000 0.480 555 V N -2.305 117.493 119.914 -0.193 0.000 2.555 555 V HA 0.543 4.655 4.120 -0.014 0.000 0.302 555 V C 0.150 176.098 176.094 -0.244 0.000 1.038 555 V CA -0.963 61.149 62.300 -0.313 0.000 0.887 555 V CB 1.543 33.277 31.823 -0.149 0.000 0.991 555 V HN 0.310 nan 8.190 nan 0.000 0.434 556 H N 5.486 124.553 119.070 -0.005 0.000 2.556 556 H HA 0.766 5.314 4.556 -0.014 0.000 0.310 556 H C -0.065 175.258 175.328 -0.007 0.000 1.057 556 H CA -0.487 55.561 56.048 -0.000 0.000 1.264 556 H CB 1.520 31.287 29.762 0.008 0.000 1.404 556 H HN 0.926 nan 8.280 nan 0.000 0.462 557 I N -0.300 120.339 120.570 0.115 0.000 2.689 557 I HA 0.433 4.595 4.170 -0.014 0.000 0.299 557 I C -0.424 175.771 176.117 0.131 0.000 1.059 557 I CA -1.342 60.005 61.300 0.078 0.000 1.055 557 I CB 2.094 40.097 38.000 0.006 0.000 1.243 557 I HN 0.361 nan 8.210 nan 0.000 0.425 558 N N 5.835 124.613 118.700 0.130 0.000 2.405 558 N HA 0.345 5.077 4.740 -0.014 0.000 0.260 558 N C -1.970 173.691 175.510 0.250 0.000 1.152 558 N CA -2.236 50.902 53.050 0.148 0.000 0.948 558 N CB 0.912 39.458 38.487 0.099 0.000 1.111 558 N HN 0.410 nan 8.380 nan 0.000 0.485 559 P HA 0.079 nan 4.420 nan 0.000 0.241 559 P C -0.103 177.201 177.300 0.006 0.000 1.191 559 P CA 0.806 64.009 63.100 0.171 0.000 0.771 559 P CB 0.209 31.979 31.700 0.118 0.000 0.929 560 N N -0.886 117.845 118.700 0.052 0.000 2.412 560 N HA -0.005 4.727 4.740 -0.014 0.000 0.184 560 N C 0.398 175.944 175.510 0.060 0.000 1.101 560 N CA -0.058 53.010 53.050 0.029 0.000 0.881 560 N CB 0.006 38.518 38.487 0.041 0.000 0.969 560 N HN 0.146 nan 8.380 nan 0.000 0.459 561 S N 0.176 115.930 115.700 0.090 0.000 2.614 561 S HA 0.176 4.638 4.470 -0.014 0.000 0.265 561 S C 0.063 174.644 174.600 -0.033 0.000 1.303 561 S CA -0.901 57.336 58.200 0.061 0.000 1.000 561 S CB 1.075 64.343 63.200 0.113 0.000 0.935 561 S HN 0.177 nan 8.310 nan 0.000 0.551 562 L N 2.076 123.110 121.223 -0.315 0.000 2.418 562 L HA 0.359 4.690 4.340 -0.014 0.000 0.274 562 L C -0.927 175.925 176.870 -0.029 0.000 1.135 562 L CA -0.517 53.956 54.840 -0.611 0.000 0.870 562 L CB -0.191 41.207 42.059 -1.101 0.000 1.154 562 L HN 0.703 nan 8.230 nan 0.000 0.462 563 F N 4.291 124.107 119.950 -0.223 0.000 2.405 563 F HA 0.120 4.640 4.527 -0.013 0.000 0.358 563 F C 0.357 176.085 175.800 -0.119 0.000 1.151 563 F CA -0.820 57.114 58.000 -0.110 0.000 1.161 563 F CB 0.657 39.639 39.000 -0.031 0.000 1.245 563 F HN 0.516 nan 8.300 nan 0.000 0.545 564 D N 4.820 125.215 120.400 -0.008 0.000 2.427 564 D HA 0.338 4.969 4.640 -0.014 0.000 0.226 564 D C -1.090 175.145 176.300 -0.109 0.000 1.076 564 D CA -0.216 53.736 54.000 -0.080 0.000 0.849 564 D CB 1.464 42.202 40.800 -0.103 0.000 1.052 564 D HN 0.118 nan 8.370 nan 0.000 0.515 565 V N 4.558 124.385 119.914 -0.146 0.000 2.487 565 V HA 0.369 4.481 4.120 -0.014 0.000 0.298 565 V C -0.235 175.702 176.094 -0.262 0.000 1.028 565 V CA -0.818 61.381 62.300 -0.169 0.000 0.860 565 V CB 1.719 33.506 31.823 -0.059 0.000 0.991 565 V HN 0.524 nan 8.190 nan 0.000 0.427 566 Q N 3.921 123.587 119.800 -0.222 0.000 2.401 566 Q HA 0.643 4.974 4.340 -0.014 0.000 0.260 566 Q C -1.321 174.515 176.000 -0.273 0.000 1.034 566 Q CA -0.457 55.204 55.803 -0.237 0.000 0.737 566 Q CB 1.881 30.509 28.738 -0.183 0.000 1.227 566 Q HN 0.795 nan 8.270 nan 0.000 0.488 567 V N 1.584 121.323 119.914 -0.292 0.000 2.487 567 V HA 0.865 4.977 4.120 -0.014 0.000 0.298 567 V C -0.967 174.852 176.094 -0.458 0.000 1.028 567 V CA -0.566 61.381 62.300 -0.588 0.000 0.860 567 V CB 1.215 32.437 31.823 -1.001 0.000 0.991 567 V HN 0.818 nan 8.190 nan 0.000 0.427 568 K N 2.566 122.742 120.400 -0.373 0.000 3.040 568 K HA 0.434 4.746 4.320 -0.014 0.000 0.300 568 K C -1.235 175.378 176.600 0.022 0.000 1.092 568 K CA -1.206 55.049 56.287 -0.053 0.000 0.831 568 K CB 0.850 33.316 32.500 -0.058 0.000 1.469 568 K HN 0.455 nan 8.250 nan 0.000 0.365 569 R N 0.924 121.507 120.500 0.138 0.000 2.698 569 R HA 0.154 4.485 4.340 -0.014 0.000 0.266 569 R C 0.354 176.702 176.300 0.080 0.000 1.026 569 R CA -0.325 55.870 56.100 0.158 0.000 1.102 569 R CB -0.115 30.350 30.300 0.274 0.000 0.978 569 R HN 0.475 nan 8.270 nan 0.000 0.436 570 I N 4.064 124.613 120.570 -0.036 0.000 2.436 570 I HA 0.094 4.256 4.170 -0.014 0.000 0.289 570 I C 0.279 176.199 176.117 -0.328 0.000 1.083 570 I CA 0.342 61.558 61.300 -0.140 0.000 1.372 570 I CB -0.475 37.442 38.000 -0.139 0.000 1.408 570 I HN 0.434 nan 8.210 nan 0.000 0.516 571 H N 2.985 121.957 119.070 -0.163 0.000 2.974 571 H HA 0.226 4.774 4.556 -0.014 0.000 0.366 571 H C 0.607 175.823 175.328 -0.186 0.000 1.155 571 H CA -0.548 55.445 56.048 -0.092 0.000 1.186 571 H CB 1.788 31.434 29.762 -0.193 0.000 1.799 571 H HN 0.486 nan 8.280 nan 0.000 0.541 572 E N 1.057 121.312 120.200 0.091 0.000 2.097 572 E HA -0.284 4.058 4.350 -0.014 0.000 0.196 572 E C 1.276 177.646 176.600 -0.383 0.000 1.000 572 E CA 1.832 58.223 56.400 -0.016 0.000 0.804 572 E CB -0.044 29.818 29.700 0.271 0.000 0.740 572 E HN 0.671 nan 8.360 nan 0.000 0.454 573 Y N 0.798 120.604 120.300 -0.822 0.000 2.352 573 Y HA -0.059 4.482 4.550 -0.014 0.000 0.292 573 Y C 1.534 177.168 175.900 -0.444 0.000 1.136 573 Y CA 0.956 58.377 58.100 -1.131 0.000 1.227 573 Y CB -0.113 37.706 38.460 -1.068 0.000 0.991 573 Y HN -0.200 nan 8.280 nan 0.000 0.545 574 K N 0.622 120.585 120.400 -0.729 0.000 2.418 574 K HA 0.088 4.399 4.320 -0.014 0.000 0.195 574 K C 0.179 176.617 176.600 -0.270 0.000 1.035 574 K CA 0.505 56.477 56.287 -0.527 0.000 1.003 574 K CB -0.007 32.176 32.500 -0.528 0.000 0.793 574 K HN 0.247 nan 8.250 nan 0.000 0.494 575 R N 0.228 120.596 120.500 -0.221 0.000 3.423 575 R HA -0.237 4.094 4.340 -0.014 0.000 0.271 575 R C 0.341 176.564 176.300 -0.128 0.000 1.093 575 R CA 0.268 56.285 56.100 -0.137 0.000 0.730 575 R CB -2.024 28.212 30.300 -0.107 0.000 1.190 575 R HN 0.286 nan 8.270 nan 0.000 0.437 576 Q N 0.410 120.133 119.800 -0.129 0.000 2.217 576 Q HA -0.122 4.210 4.340 -0.014 0.000 0.209 576 Q C 2.031 177.983 176.000 -0.079 0.000 0.988 576 Q CA 1.750 57.492 55.803 -0.102 0.000 0.878 576 Q CB -0.061 28.620 28.738 -0.096 0.000 0.909 576 Q HN 0.588 nan 8.270 nan 0.000 0.424 577 L N -0.648 120.530 121.223 -0.074 0.000 2.083 577 L HA -0.188 4.143 4.340 -0.014 0.000 0.209 577 L C 2.046 178.915 176.870 -0.002 0.000 1.083 577 L CA 0.577 55.387 54.840 -0.049 0.000 0.752 577 L CB -0.339 41.700 42.059 -0.032 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N 0.005 121.219 121.223 -0.014 0.000 2.046 578 L HA -0.238 4.093 4.340 -0.014 0.000 0.208 578 L C 2.026 178.947 176.870 0.084 0.000 1.077 578 L CA 1.903 56.746 54.840 0.005 0.000 0.747 578 L CB -0.824 41.132 42.059 -0.170 0.000 0.896 578 L HN 0.279 nan 8.230 nan 0.000 0.432 579 N N -1.575 117.141 118.700 0.027 0.000 2.069 579 N HA -0.255 4.477 4.740 -0.014 0.000 0.191 579 N C 1.960 177.550 175.510 0.133 0.000 1.031 579 N CA 1.820 54.967 53.050 0.161 0.000 0.852 579 N CB -0.166 38.346 38.487 0.042 0.000 1.018 579 N HN 0.503 nan 8.380 nan 0.000 0.423 580 C N 0.580 119.894 119.300 0.023 0.000 2.401 580 C HA -0.109 4.342 4.460 -0.014 0.000 0.276 580 C C 2.597 177.579 174.990 -0.014 0.000 1.233 580 C CA 0.446 59.433 59.018 -0.052 0.000 1.753 580 C CB -1.316 26.341 27.740 -0.139 0.000 2.029 580 C HN 0.504 nan 8.230 nan 0.000 0.478 581 L N -0.459 120.818 121.223 0.090 0.000 2.046 581 L HA -0.196 4.136 4.340 -0.014 0.000 0.208 581 L C 2.762 179.788 176.870 0.260 0.000 1.077 581 L CA 1.833 56.776 54.840 0.171 0.000 0.747 581 L CB -1.067 41.160 42.059 0.280 0.000 0.896 581 L HN 0.586 nan 8.230 nan 0.000 0.432 582 H N -0.048 119.137 119.070 0.191 0.000 2.353 582 H HA -0.142 4.406 4.556 -0.014 0.000 0.300 582 H C 2.236 177.559 175.328 -0.007 0.000 1.090 582 H CA 1.895 57.972 56.048 0.049 0.000 1.327 582 H CB 0.336 30.052 29.762 -0.077 0.000 1.383 582 H HN 0.097 nan 8.280 nan 0.000 0.508 583 V N 1.535 121.362 119.914 -0.146 0.000 2.332 583 V HA -0.273 3.839 4.120 -0.014 0.000 0.248 583 V C 2.802 178.831 176.094 -0.109 0.000 1.055 583 V CA 1.871 64.051 62.300 -0.201 0.000 1.038 583 V CB -0.479 31.272 31.823 -0.120 0.000 0.651 583 V HN 0.398 nan 8.190 nan 0.000 0.450 584 I N -0.232 120.311 120.570 -0.046 0.000 2.315 584 I HA -0.207 3.955 4.170 -0.014 0.000 0.248 584 I C 2.507 178.684 176.117 0.099 0.000 1.117 584 I CA 1.642 62.984 61.300 0.070 0.000 1.404 584 I CB -0.743 37.270 38.000 0.021 0.000 1.071 584 I HN 0.319 nan 8.210 nan 0.000 0.419 585 T N 1.371 115.947 114.554 0.036 0.000 2.684 585 T HA -0.173 4.169 4.350 -0.014 0.000 0.267 585 T C 1.886 176.551 174.700 -0.057 0.000 1.036 585 T CA 1.310 63.424 62.100 0.024 0.000 1.148 585 T CB -0.279 68.635 68.868 0.076 0.000 0.863 585 T HN 0.078 nan 8.240 nan 0.000 0.436 586 L N 0.036 121.158 121.223 -0.168 0.000 2.046 586 L HA 0.005 4.337 4.340 -0.014 0.000 0.208 586 L C 2.095 178.927 176.870 -0.063 0.000 1.077 586 L CA 1.506 56.239 54.840 -0.178 0.000 0.747 586 L CB -1.160 40.713 42.059 -0.311 0.000 0.896 586 L HN 0.366 nan 8.230 nan 0.000 0.432 587 Y N 0.393 120.631 120.300 -0.104 0.000 2.128 587 Y HA -0.307 4.234 4.550 -0.014 0.000 0.284 587 Y C 2.444 178.326 175.900 -0.031 0.000 1.154 587 Y CA 1.934 60.010 58.100 -0.039 0.000 1.149 587 Y CB -0.109 38.373 38.460 0.035 0.000 0.976 587 Y HN 0.285 nan 8.280 nan 0.000 0.505 588 N N 0.455 119.104 118.700 -0.087 0.000 2.166 588 N HA -0.154 4.578 4.740 -0.014 0.000 0.186 588 N C 1.850 177.246 175.510 -0.190 0.000 1.019 588 N CA 1.584 54.523 53.050 -0.185 0.000 0.856 588 N CB -0.389 38.057 38.487 -0.068 0.000 0.993 588 N HN 0.442 nan 8.380 nan 0.000 0.426 589 R N 0.397 120.816 120.500 -0.136 0.000 2.075 589 R HA 0.065 4.397 4.340 -0.014 0.000 0.232 589 R C 2.267 178.483 176.300 -0.140 0.000 1.126 589 R CA 0.793 56.822 56.100 -0.118 0.000 0.963 589 R CB -0.286 29.957 30.300 -0.095 0.000 0.858 589 R HN 0.225 nan 8.270 nan 0.000 0.435 590 I N 0.994 121.461 120.570 -0.171 0.000 2.179 590 I HA -0.297 3.865 4.170 -0.014 0.000 0.242 590 I C 2.186 178.186 176.117 -0.195 0.000 1.088 590 I CA 1.278 62.477 61.300 -0.169 0.000 1.357 590 I CB -0.190 37.714 38.000 -0.159 0.000 1.051 590 I HN 0.038 nan 8.210 nan 0.000 0.409 591 K N 0.793 121.011 120.400 -0.305 0.000 2.147 591 K HA -0.209 4.102 4.320 -0.014 0.000 0.205 591 K C 2.040 178.538 176.600 -0.170 0.000 1.049 591 K CA 1.224 57.343 56.287 -0.280 0.000 0.936 591 K CB -0.320 31.924 32.500 -0.427 0.000 0.722 591 K HN 0.336 nan 8.250 nan 0.000 0.446 592 K N 1.116 121.423 120.400 -0.154 0.000 2.062 592 K HA -0.086 4.226 4.320 -0.014 0.000 0.205 592 K C 0.036 176.589 176.600 -0.079 0.000 1.051 592 K CA 1.074 57.298 56.287 -0.104 0.000 0.941 592 K CB 0.322 32.765 32.500 -0.095 0.000 0.719 592 K HN 0.068 nan 8.250 nan 0.000 0.440 593 E N 0.274 120.426 120.200 -0.080 0.000 3.108 593 E HA 0.120 4.462 4.350 -0.014 0.000 0.228 593 E C -2.305 174.261 176.600 -0.057 0.000 1.176 593 E CA -1.649 54.718 56.400 -0.056 0.000 0.881 593 E CB 1.700 31.373 29.700 -0.044 0.000 1.354 593 E HN 0.140 nan 8.360 nan 0.000 0.400 594 P HA -0.131 nan 4.420 nan 0.000 0.219 594 P C 0.205 177.487 177.300 -0.029 0.000 1.146 594 P CA 1.190 64.259 63.100 -0.051 0.000 0.808 594 P CB 0.199 31.874 31.700 -0.042 0.000 0.779 595 N N -1.295 117.396 118.700 -0.015 0.000 2.251 595 N HA 0.031 4.762 4.740 -0.014 0.000 0.217 595 N C 0.480 176.006 175.510 0.025 0.000 1.124 595 N CA -0.170 52.884 53.050 0.006 0.000 0.843 595 N CB 0.190 38.681 38.487 0.007 0.000 1.024 595 N HN -0.005 nan 8.380 nan 0.000 0.501 596 K N 1.110 121.520 120.400 0.016 0.000 2.130 596 K HA 0.167 4.478 4.320 -0.014 0.000 0.268 596 K C -0.914 175.726 176.600 0.068 0.000 0.983 596 K CA -0.583 55.730 56.287 0.043 0.000 0.893 596 K CB 0.761 33.268 32.500 0.012 0.000 1.066 596 K HN -0.068 nan 8.250 nan 0.000 0.450 597 F N 4.312 124.250 119.950 -0.020 0.000 2.495 597 F HA 0.180 4.698 4.527 -0.014 0.000 0.365 597 F C -0.329 175.458 175.800 -0.022 0.000 1.090 597 F CA -0.072 57.918 58.000 -0.018 0.000 1.235 597 F CB 0.584 39.576 39.000 -0.013 0.000 1.119 597 F HN 0.178 nan 8.300 nan 0.000 0.562 598 V N 4.205 123.587 119.914 -0.886 0.000 2.876 598 V HA 0.549 4.661 4.120 -0.014 0.000 0.312 598 V C -0.695 174.769 176.094 -1.050 0.000 1.085 598 V CA -1.245 60.630 62.300 -0.710 0.000 0.945 598 V CB 1.016 32.626 31.823 -0.354 0.000 1.017 598 V HN 0.564 nan 8.190 nan 0.000 0.428 599 V N 4.573 124.153 119.914 -0.558 0.000 2.493 599 V HA 0.182 4.294 4.120 -0.014 0.000 0.292 599 V C -1.824 174.099 176.094 -0.286 0.000 1.016 599 V CA -0.393 61.719 62.300 -0.313 0.000 1.097 599 V CB 0.274 32.044 31.823 -0.088 0.000 0.947 599 V HN 0.898 nan 8.190 nan 0.000 0.479 600 P HA 0.349 nan 4.420 nan 0.000 0.271 600 P C -0.395 176.812 177.300 -0.154 0.000 1.216 600 P CA -0.112 62.895 63.100 -0.156 0.000 0.776 600 P CB 0.573 32.230 31.700 -0.071 0.000 0.881 601 R N 0.931 121.352 120.500 -0.133 0.000 2.744 601 R HA 0.563 4.894 4.340 -0.014 0.000 0.279 601 R C -0.764 175.489 176.300 -0.078 0.000 0.977 601 R CA -0.619 55.404 56.100 -0.128 0.000 0.906 601 R CB 1.962 32.171 30.300 -0.152 0.000 1.197 601 R HN 0.309 nan 8.270 nan 0.000 0.463 602 T N 2.126 116.646 114.554 -0.056 0.000 2.788 602 T HA 0.244 4.586 4.350 -0.014 0.000 0.296 602 T C -0.335 174.269 174.700 -0.160 0.000 1.009 602 T CA -0.491 61.531 62.100 -0.130 0.000 0.949 602 T CB 1.120 69.835 68.868 -0.255 0.000 0.946 602 T HN 0.133 nan 8.240 nan 0.000 0.453 603 V N 5.924 125.754 119.914 -0.140 0.000 2.385 603 V HA 0.417 4.528 4.120 -0.014 0.000 0.269 603 V C 0.082 176.091 176.094 -0.142 0.000 1.043 603 V CA -0.404 61.821 62.300 -0.126 0.000 0.906 603 V CB 0.618 32.381 31.823 -0.099 0.000 0.995 603 V HN 0.854 nan 8.190 nan 0.000 0.467 604 M N 6.668 126.174 119.600 -0.157 0.000 2.243 604 M HA 0.621 5.092 4.480 -0.014 0.000 0.324 604 M C -1.005 175.182 176.300 -0.189 0.000 1.031 604 M CA -0.195 55.003 55.300 -0.169 0.000 0.949 604 M CB 2.051 34.548 32.600 -0.171 0.000 1.615 604 M HN 0.415 nan 8.290 nan 0.000 0.430 605 I N 1.790 122.227 120.570 -0.222 0.000 2.498 605 I HA 0.840 5.002 4.170 -0.014 0.000 0.290 605 I C 0.087 175.855 176.117 -0.582 0.000 1.032 605 I CA -0.630 60.506 61.300 -0.273 0.000 1.073 605 I CB 2.307 40.239 38.000 -0.114 0.000 1.251 605 I HN 0.808 nan 8.210 nan 0.000 0.426 606 G N 2.892 111.323 108.800 -0.614 0.000 2.690 606 G HA2 0.838 4.789 3.960 -0.014 0.000 0.293 606 G HA3 0.838 4.789 3.960 -0.014 0.000 0.293 606 G C -1.016 173.589 174.900 -0.493 0.000 1.399 606 G CA -0.763 43.826 45.100 -0.852 0.000 0.890 606 G HN 0.998 nan 8.290 nan 0.000 0.485 607 G N -0.432 108.234 108.800 -0.222 0.000 2.329 607 G HA2 0.388 4.340 3.960 -0.014 0.000 0.308 607 G HA3 0.388 4.340 3.960 -0.014 0.000 0.308 607 G C -1.213 173.818 174.900 0.219 0.000 1.587 607 G CA -1.037 44.101 45.100 0.064 0.000 0.978 607 G HN 0.603 nan 8.290 nan 0.000 0.685 608 K N -0.042 120.480 120.400 0.204 0.000 2.118 608 K HA 0.731 5.043 4.320 -0.014 0.000 0.267 608 K C 0.374 177.082 176.600 0.179 0.000 0.991 608 K CA -0.072 56.348 56.287 0.221 0.000 0.916 608 K CB 1.890 34.433 32.500 0.071 0.000 1.041 608 K HN 0.878 nan 8.250 nan 0.000 0.455 609 A N 1.480 124.432 122.820 0.220 0.000 2.312 609 A HA 0.611 4.923 4.320 -0.014 0.000 0.326 609 A C -0.403 177.325 177.584 0.241 0.000 1.172 609 A CA -0.726 51.372 52.037 0.102 0.000 0.821 609 A CB 0.943 19.934 19.000 -0.015 0.000 1.166 609 A HN 0.779 nan 8.150 nan 0.000 0.493 610 A N 3.616 126.555 122.820 0.198 0.000 2.546 610 A HA 0.445 4.757 4.320 -0.014 0.000 0.243 610 A C -1.430 176.237 177.584 0.138 0.000 1.063 610 A CA -0.706 51.472 52.037 0.235 0.000 0.757 610 A CB -0.358 18.774 19.000 0.220 0.000 0.991 610 A HN 0.597 nan 8.150 nan 0.000 0.503 611 P HA -0.110 nan 4.420 nan 0.000 0.218 611 P C 1.298 178.588 177.300 -0.017 0.000 1.148 611 P CA 1.848 64.892 63.100 -0.095 0.000 0.822 611 P CB 0.221 31.798 31.700 -0.206 0.000 0.784 612 G N -2.821 105.997 108.800 0.030 0.000 3.141 612 G HA2 -0.077 3.875 3.960 -0.014 0.000 0.218 612 G HA3 -0.077 3.875 3.960 -0.014 0.000 0.218 612 G C -0.266 174.678 174.900 0.074 0.000 1.170 612 G CA -0.094 45.025 45.100 0.033 0.000 0.769 612 G HN 0.312 nan 8.290 nan 0.000 0.546 613 Y N 1.448 121.706 120.300 -0.070 0.000 2.676 613 Y HA 0.229 4.770 4.550 -0.014 0.000 0.338 613 Y C 1.536 177.426 175.900 -0.017 0.000 1.057 613 Y CA -1.119 56.924 58.100 -0.094 0.000 1.314 613 Y CB 0.219 38.596 38.460 -0.138 0.000 1.164 613 Y HN 0.298 nan 8.280 nan 0.000 0.509 614 H N 4.471 123.660 119.070 0.199 0.000 2.321 614 H HA -0.202 4.346 4.556 -0.014 0.000 0.300 614 H C 1.750 177.100 175.328 0.037 0.000 1.087 614 H CA 2.250 58.350 56.048 0.087 0.000 1.319 614 H CB 0.386 30.192 29.762 0.072 0.000 1.379 614 H HN 0.735 nan 8.280 nan 0.000 0.501 615 M N 1.140 120.711 119.600 -0.048 0.000 2.149 615 M HA -0.081 4.391 4.480 -0.014 0.000 0.261 615 M C 2.513 178.572 176.300 -0.403 0.000 1.064 615 M CA 1.816 57.004 55.300 -0.186 0.000 1.102 615 M CB -0.709 31.935 32.600 0.072 0.000 1.369 615 M HN 0.350 nan 8.290 nan 0.000 0.408 616 A N -0.522 121.824 122.820 -0.790 0.000 1.930 616 A HA -0.174 4.138 4.320 -0.014 0.000 0.217 616 A C 2.190 179.556 177.584 -0.363 0.000 1.175 616 A CA 1.745 53.339 52.037 -0.738 0.000 0.627 616 A CB -0.618 17.706 19.000 -1.128 0.000 0.815 616 A HN 0.577 nan 8.150 nan 0.000 0.443 617 K N -1.060 119.181 120.400 -0.266 0.000 2.148 617 K HA -0.053 4.258 4.320 -0.014 0.000 0.204 617 K C 1.895 178.446 176.600 -0.083 0.000 1.050 617 K CA 1.258 57.483 56.287 -0.104 0.000 0.942 617 K CB -0.208 32.297 32.500 0.008 0.000 0.724 617 K HN 0.346 nan 8.250 nan 0.000 0.446 618 M N 0.437 119.936 119.600 -0.168 0.000 2.229 618 M HA -0.074 4.398 4.480 -0.014 0.000 0.264 618 M C 2.093 178.333 176.300 -0.099 0.000 1.063 618 M CA 1.353 56.596 55.300 -0.094 0.000 1.114 618 M CB -0.591 31.930 32.600 -0.132 0.000 1.387 618 M HN 0.125 nan 8.290 nan 0.000 0.420 619 I N -0.092 120.379 120.570 -0.165 0.000 2.252 619 I HA -0.293 3.868 4.170 -0.014 0.000 0.245 619 I C 2.279 178.275 176.117 -0.202 0.000 1.102 619 I CA 1.026 62.222 61.300 -0.174 0.000 1.385 619 I CB -0.269 37.624 38.000 -0.178 0.000 1.064 619 I HN 0.159 nan 8.210 nan 0.000 0.414 620 I N 0.654 121.083 120.570 -0.234 0.000 2.163 620 I HA -0.327 3.834 4.170 -0.014 0.000 0.243 620 I C 2.607 178.455 176.117 -0.447 0.000 1.085 620 I CA 1.332 62.400 61.300 -0.388 0.000 1.347 620 I CB -0.351 37.384 38.000 -0.442 0.000 1.044 620 I HN 0.160 nan 8.210 nan 0.000 0.408 621 K N 1.539 121.690 120.400 -0.414 0.000 2.063 621 K HA -0.173 4.139 4.320 -0.014 0.000 0.208 621 K C 2.067 178.523 176.600 -0.240 0.000 1.048 621 K CA 1.554 57.523 56.287 -0.529 0.000 0.928 621 K CB -0.635 31.273 32.500 -0.988 0.000 0.713 621 K HN 0.227 nan 8.250 nan 0.000 0.442 622 L N 0.457 121.589 121.223 -0.152 0.000 2.012 622 L HA -0.213 4.119 4.340 -0.014 0.000 0.210 622 L C 2.234 178.888 176.870 -0.361 0.000 1.073 622 L CA 1.917 56.501 54.840 -0.428 0.000 0.748 622 L CB -0.355 41.351 42.059 -0.588 0.000 0.891 622 L HN 0.295 nan 8.230 nan 0.000 0.431 623 I N -0.164 120.241 120.570 -0.275 0.000 2.163 623 I HA -0.354 3.807 4.170 -0.014 0.000 0.243 623 I C 2.644 178.661 176.117 -0.166 0.000 1.085 623 I CA 2.023 63.210 61.300 -0.188 0.000 1.347 623 I CB -0.630 37.339 38.000 -0.053 0.000 1.044 623 I HN 0.444 nan 8.210 nan 0.000 0.408 624 T N -0.916 113.510 114.554 -0.213 0.000 2.867 624 T HA -0.063 4.279 4.350 -0.014 0.000 0.268 624 T C 1.950 176.581 174.700 -0.115 0.000 1.057 624 T CA 0.940 62.939 62.100 -0.168 0.000 1.136 624 T CB -0.437 68.285 68.868 -0.243 0.000 0.874 624 T HN 0.345 nan 8.240 nan 0.000 0.466 625 A N 1.401 124.155 122.820 -0.110 0.000 1.930 625 A HA 0.186 4.498 4.320 -0.014 0.000 0.217 625 A C 2.363 179.968 177.584 0.035 0.000 1.175 625 A CA 1.131 53.172 52.037 0.006 0.000 0.627 625 A CB -0.763 18.339 19.000 0.170 0.000 0.815 625 A HN 0.585 nan 8.150 nan 0.000 0.443 626 I N -0.232 120.262 120.570 -0.127 0.000 2.179 626 I HA -0.206 3.955 4.170 -0.014 0.000 0.242 626 I C 2.737 178.814 176.117 -0.067 0.000 1.088 626 I CA 1.164 62.376 61.300 -0.148 0.000 1.357 626 I CB -0.672 37.115 38.000 -0.354 0.000 1.051 626 I HN 0.387 nan 8.210 nan 0.000 0.409 627 G N 0.462 109.209 108.800 -0.089 0.000 2.469 627 G HA2 -0.285 3.667 3.960 -0.014 0.000 0.219 627 G HA3 -0.285 3.667 3.960 -0.014 0.000 0.219 627 G C 1.276 176.139 174.900 -0.061 0.000 1.150 627 G CA 1.130 46.179 45.100 -0.085 0.000 0.763 627 G HN 0.287 nan 8.290 nan 0.000 0.561 628 D N -0.041 120.364 120.400 0.007 0.000 2.149 628 D HA -0.088 4.543 4.640 -0.014 0.000 0.198 628 D C 2.730 179.106 176.300 0.127 0.000 0.990 628 D CA 0.764 54.828 54.000 0.107 0.000 0.839 628 D CB -0.281 40.562 40.800 0.072 0.000 0.948 628 D HN 0.237 nan 8.370 nan 0.000 0.460 629 V N 0.182 120.111 119.914 0.025 0.000 2.302 629 V HA -0.150 3.962 4.120 -0.014 0.000 0.243 629 V C 2.600 178.622 176.094 -0.120 0.000 1.036 629 V CA 0.843 63.102 62.300 -0.068 0.000 1.020 629 V CB -0.279 31.455 31.823 -0.150 0.000 0.657 629 V HN 0.034 nan 8.190 nan 0.000 0.453 630 V N 0.825 120.618 119.914 -0.201 0.000 2.358 630 V HA -0.198 3.913 4.120 -0.014 0.000 0.246 630 V C 2.161 178.194 176.094 -0.103 0.000 1.047 630 V CA 2.016 64.189 62.300 -0.211 0.000 1.035 630 V CB -0.830 30.870 31.823 -0.205 0.000 0.658 630 V HN 0.559 nan 8.190 nan 0.000 0.452 631 N N -0.379 118.201 118.700 -0.201 0.000 2.459 631 N HA -0.075 4.657 4.740 -0.014 0.000 0.181 631 N C 1.188 176.439 175.510 -0.431 0.000 1.046 631 N CA 0.883 53.733 53.050 -0.333 0.000 0.904 631 N CB -0.255 37.950 38.487 -0.471 0.000 0.964 631 N HN 0.687 nan 8.380 nan 0.000 0.444 632 H N -1.455 117.615 119.070 0.001 0.000 2.528 632 H HA 0.210 4.758 4.556 -0.014 0.000 0.282 632 H C -0.561 174.783 175.328 0.026 0.000 1.097 632 H CA -0.468 55.585 56.048 0.009 0.000 1.121 632 H CB 0.562 30.319 29.762 -0.008 0.000 1.590 632 H HN -0.030 nan 8.280 nan 0.000 0.553 633 D N 1.675 122.144 120.400 0.116 0.000 2.347 633 D HA 0.054 4.686 4.640 -0.014 0.000 0.235 633 D C -1.644 174.716 176.300 0.100 0.000 1.149 633 D CA -2.204 51.879 54.000 0.137 0.000 0.850 633 D CB 1.708 42.659 40.800 0.251 0.000 1.061 633 D HN 0.100 nan 8.370 nan 0.000 0.487 634 P HA -0.113 nan 4.420 nan 0.000 0.218 634 P C 1.566 178.891 177.300 0.042 0.000 1.149 634 P CA 0.359 63.492 63.100 0.055 0.000 0.817 634 P CB 0.452 32.179 31.700 0.045 0.000 0.785 635 V N -0.589 119.350 119.914 0.041 0.000 2.515 635 V HA -0.164 3.947 4.120 -0.014 0.000 0.250 635 V C 2.473 178.574 176.094 0.012 0.000 1.058 635 V CA 1.447 63.758 62.300 0.017 0.000 1.064 635 V CB -0.984 30.838 31.823 -0.001 0.000 0.675 635 V HN -0.024 nan 8.190 nan 0.000 0.461 636 V N -0.155 119.784 119.914 0.041 0.000 2.307 636 V HA 0.054 4.165 4.120 -0.014 0.000 0.245 636 V C 1.751 177.855 176.094 0.016 0.000 1.045 636 V CA 1.688 64.012 62.300 0.039 0.000 1.024 636 V CB -1.299 30.592 31.823 0.113 0.000 0.651 636 V HN 0.756 nan 8.190 nan 0.000 0.449 637 G N 1.381 110.196 108.800 0.025 0.000 2.547 637 G HA2 -0.342 3.609 3.960 -0.014 0.000 0.271 637 G HA3 -0.342 3.609 3.960 -0.014 0.000 0.271 637 G C 0.150 175.055 174.900 0.010 0.000 1.209 637 G CA 0.373 45.484 45.100 0.017 0.000 0.959 637 G HN 0.700 nan 8.290 nan 0.000 0.563 638 D N 0.237 120.642 120.400 0.008 0.000 2.460 638 D HA 0.203 4.835 4.640 -0.014 0.000 0.229 638 D C 1.736 178.029 176.300 -0.012 0.000 1.170 638 D CA 0.026 54.029 54.000 0.005 0.000 0.827 638 D CB -0.061 40.752 40.800 0.022 0.000 0.973 638 D HN 0.597 nan 8.370 nan 0.000 0.496 639 R N -0.770 119.712 120.500 -0.030 0.000 2.200 639 R HA 0.225 4.557 4.340 -0.014 0.000 0.208 639 R C -0.072 176.182 176.300 -0.077 0.000 1.033 639 R CA 0.190 56.247 56.100 -0.071 0.000 1.000 639 R CB 0.327 30.568 30.300 -0.099 0.000 0.906 639 R HN 0.127 nan 8.270 nan 0.000 0.462 640 L N 0.615 121.809 121.223 -0.048 0.000 2.505 640 L HA 0.393 4.724 4.340 -0.014 0.000 0.266 640 L C -1.565 175.276 176.870 -0.049 0.000 0.954 640 L CA -0.485 54.324 54.840 -0.052 0.000 0.852 640 L CB 1.824 43.865 42.059 -0.030 0.000 1.282 640 L HN -0.176 nan 8.230 nan 0.000 0.403 641 R N 3.903 124.360 120.500 -0.072 0.000 2.628 641 R HA 0.766 5.097 4.340 -0.014 0.000 0.288 641 R C -1.681 174.556 176.300 -0.105 0.000 0.980 641 R CA -0.791 55.256 56.100 -0.089 0.000 0.891 641 R CB 2.434 32.684 30.300 -0.084 0.000 1.188 641 R HN 0.416 nan 8.270 nan 0.000 0.450 642 V N 4.833 124.681 119.914 -0.110 0.000 2.407 642 V HA 0.495 4.606 4.120 -0.014 0.000 0.291 642 V C -0.403 175.636 176.094 -0.092 0.000 1.018 642 V CA -0.729 61.508 62.300 -0.104 0.000 0.842 642 V CB 1.670 33.431 31.823 -0.103 0.000 0.996 642 V HN 0.534 nan 8.190 nan 0.000 0.426 643 I N 4.899 125.416 120.570 -0.089 0.000 2.498 643 I HA 0.436 4.597 4.170 -0.014 0.000 0.290 643 I C -0.688 175.405 176.117 -0.040 0.000 1.032 643 I CA -0.336 60.920 61.300 -0.073 0.000 1.073 643 I CB 1.908 39.841 38.000 -0.112 0.000 1.251 643 I HN 0.544 nan 8.210 nan 0.000 0.426 644 F N 7.005 126.879 119.950 -0.126 0.000 2.404 644 F HA 0.469 4.987 4.527 -0.014 0.000 0.358 644 F C -0.499 175.228 175.800 -0.121 0.000 1.120 644 F CA -0.622 57.308 58.000 -0.116 0.000 1.144 644 F CB 0.643 39.578 39.000 -0.108 0.000 1.133 644 F HN 0.160 nan 8.300 nan 0.000 0.495 645 L N 6.163 127.000 121.223 -0.644 0.000 2.342 645 L HA 0.165 4.497 4.340 -0.014 0.000 0.285 645 L C 0.258 176.896 176.870 -0.387 0.000 1.095 645 L CA 0.070 54.668 54.840 -0.405 0.000 0.843 645 L CB 0.087 41.985 42.059 -0.268 0.000 1.201 645 L HN 0.609 nan 8.230 nan 0.000 0.445 646 E N 3.345 123.467 120.200 -0.131 0.000 2.373 646 E HA -0.017 4.325 4.350 -0.014 0.000 0.267 646 E C 0.509 177.196 176.600 0.144 0.000 1.032 646 E CA -0.135 56.330 56.400 0.108 0.000 0.889 646 E CB 0.298 30.040 29.700 0.069 0.000 0.984 646 E HN 0.534 nan 8.360 nan 0.000 0.425 647 N N 2.588 121.419 118.700 0.219 0.000 2.758 647 N HA -0.278 4.454 4.740 -0.014 0.000 0.248 647 N C -1.552 174.058 175.510 0.167 0.000 1.076 647 N CA 0.521 53.689 53.050 0.197 0.000 0.696 647 N CB -1.664 36.949 38.487 0.210 0.000 0.979 647 N HN 0.501 nan 8.380 nan 0.000 0.550 648 Y N 1.592 121.909 120.300 0.028 0.000 2.721 648 Y HA 0.167 4.709 4.550 -0.014 0.000 0.329 648 Y C 1.140 177.063 175.900 0.039 0.000 1.211 648 Y CA 0.804 58.907 58.100 0.005 0.000 1.512 648 Y CB 0.307 38.737 38.460 -0.050 0.000 1.249 648 Y HN 0.378 nan 8.280 nan 0.000 0.549 649 R N 2.388 122.529 120.500 -0.599 0.000 2.756 649 R HA 0.424 4.755 4.340 -0.014 0.000 0.273 649 R C -0.611 175.366 176.300 -0.540 0.000 1.030 649 R CA -0.569 55.282 56.100 -0.416 0.000 0.887 649 R CB 0.275 30.513 30.300 -0.103 0.000 1.274 649 R HN 0.354 nan 8.270 nan 0.000 0.461 650 V N 1.060 120.707 119.914 -0.445 0.000 2.287 650 V HA -0.286 3.826 4.120 -0.014 0.000 0.248 650 V C 2.595 178.574 176.094 -0.191 0.000 1.053 650 V CA 2.806 64.903 62.300 -0.338 0.000 1.027 650 V CB -0.812 30.786 31.823 -0.375 0.000 0.646 650 V HN 0.922 nan 8.190 nan 0.000 0.447 651 S N 0.026 115.633 115.700 -0.156 0.000 2.399 651 S HA -0.179 4.282 4.470 -0.014 0.000 0.231 651 S C 1.932 176.489 174.600 -0.072 0.000 1.022 651 S CA 1.662 59.800 58.200 -0.103 0.000 0.983 651 S CB -0.509 62.659 63.200 -0.054 0.000 0.803 651 S HN 0.386 nan 8.310 nan 0.000 0.480 652 L N 1.962 123.145 121.223 -0.067 0.000 2.109 652 L HA 0.315 4.647 4.340 -0.014 0.000 0.207 652 L C 2.724 179.613 176.870 0.031 0.000 1.086 652 L CA 1.414 56.256 54.840 0.003 0.000 0.760 652 L CB -1.341 40.773 42.059 0.091 0.000 0.910 652 L HN 0.357 nan 8.230 nan 0.000 0.437 653 A N -0.646 122.164 122.820 -0.017 0.000 1.908 653 A HA -0.263 4.049 4.320 -0.014 0.000 0.218 653 A C 2.140 179.799 177.584 0.125 0.000 1.181 653 A CA 1.951 54.061 52.037 0.121 0.000 0.627 653 A CB -0.656 18.401 19.000 0.096 0.000 0.818 653 A HN 0.597 nan 8.150 nan 0.000 0.445 654 E N -0.434 119.817 120.200 0.085 0.000 2.204 654 E HA -0.184 4.158 4.350 -0.014 0.000 0.195 654 E C 1.946 178.526 176.600 -0.033 0.000 0.990 654 E CA 1.346 57.749 56.400 0.005 0.000 0.821 654 E CB -0.071 29.539 29.700 -0.150 0.000 0.750 654 E HN 0.644 nan 8.360 nan 0.000 0.477 655 K N -0.007 120.361 120.400 -0.054 0.000 2.141 655 K HA 0.025 4.336 4.320 -0.014 0.000 0.202 655 K C 2.164 178.635 176.600 -0.214 0.000 1.045 655 K CA 0.467 56.718 56.287 -0.061 0.000 0.971 655 K CB 0.029 32.492 32.500 -0.062 0.000 0.795 655 K HN -0.041 nan 8.250 nan 0.000 0.459 656 V N 1.820 121.526 119.914 -0.347 0.000 2.488 656 V HA -0.117 3.995 4.120 -0.014 0.000 0.246 656 V C 1.898 177.768 176.094 -0.374 0.000 1.046 656 V CA 1.172 63.039 62.300 -0.720 0.000 1.053 656 V CB -0.140 31.357 31.823 -0.544 0.000 0.679 656 V HN 0.229 nan 8.190 nan 0.000 0.458 657 I N 0.726 121.131 120.570 -0.274 0.000 2.226 657 I HA -0.133 4.028 4.170 -0.014 0.000 0.245 657 I C -0.271 175.745 176.117 -0.170 0.000 1.100 657 I CA 1.627 62.696 61.300 -0.386 0.000 1.374 657 I CB -1.444 36.187 38.000 -0.615 0.000 1.057 657 I HN 0.373 nan 8.210 nan 0.000 0.413 658 P HA -0.109 nan 4.420 nan 0.000 0.222 658 P C 1.078 178.379 177.300 0.002 0.000 1.147 658 P CA 1.255 64.339 63.100 -0.026 0.000 0.790 658 P CB 0.027 31.720 31.700 -0.012 0.000 0.780 659 A N -0.956 121.847 122.820 -0.028 0.000 2.178 659 A HA 0.412 4.723 4.320 -0.014 0.000 0.211 659 A C 1.247 178.919 177.584 0.147 0.000 1.157 659 A CA 0.239 52.305 52.037 0.047 0.000 0.780 659 A CB -0.789 18.230 19.000 0.032 0.000 0.828 659 A HN 0.208 nan 8.150 nan 0.000 0.476 660 A N -0.015 122.900 122.820 0.158 0.000 2.388 660 A HA 0.452 4.763 4.320 -0.014 0.000 0.257 660 A C 0.375 178.101 177.584 0.238 0.000 1.095 660 A CA -0.133 52.059 52.037 0.258 0.000 0.791 660 A CB 0.323 19.564 19.000 0.402 0.000 1.029 660 A HN 0.287 nan 8.150 nan 0.000 0.489 661 D N 0.479 121.018 120.400 0.232 0.000 2.323 661 D HA 0.116 4.747 4.640 -0.014 0.000 0.218 661 D C 0.027 176.550 176.300 0.371 0.000 0.973 661 D CA 0.789 54.984 54.000 0.325 0.000 0.890 661 D CB 0.313 41.221 40.800 0.179 0.000 1.011 661 D HN 0.363 nan 8.370 nan 0.000 0.499 662 L N 1.070 122.389 121.223 0.159 0.000 2.376 662 L HA 0.274 4.606 4.340 -0.014 0.000 0.275 662 L C -0.900 175.850 176.870 -0.201 0.000 0.987 662 L CA -0.303 54.555 54.840 0.031 0.000 0.828 662 L CB 2.126 44.182 42.059 -0.005 0.000 1.249 662 L HN -0.198 nan 8.230 nan 0.000 0.409 663 S N 4.384 119.876 115.700 -0.346 0.000 2.422 663 S HA 0.327 4.789 4.470 -0.014 0.000 0.298 663 S C -0.377 173.955 174.600 -0.446 0.000 1.118 663 S CA -0.643 57.110 58.200 -0.745 0.000 1.083 663 S CB 0.590 63.321 63.200 -0.781 0.000 0.971 663 S HN 0.559 nan 8.310 nan 0.000 0.478 664 E N 4.075 124.025 120.200 -0.416 0.000 2.089 664 E HA 0.219 4.560 4.350 -0.014 0.000 0.284 664 E C -0.551 175.944 176.600 -0.174 0.000 1.023 664 E CA -0.428 55.852 56.400 -0.200 0.000 0.819 664 E CB 1.046 30.658 29.700 -0.148 0.000 1.076 664 E HN 0.606 nan 8.360 nan 0.000 0.396 665 Q N 2.842 122.598 119.800 -0.074 0.000 3.064 665 Q HA 0.271 4.603 4.340 -0.014 0.000 0.258 665 Q C 0.535 176.534 176.000 -0.002 0.000 0.972 665 Q CA -0.108 55.665 55.803 -0.050 0.000 0.761 665 Q CB 0.270 28.989 28.738 -0.032 0.000 1.281 665 Q HN 0.624 nan 8.270 nan 0.000 0.455 666 I N -1.783 118.771 120.570 -0.028 0.000 3.569 666 I HA 0.280 4.441 4.170 -0.014 0.000 0.334 666 I C 0.396 176.474 176.117 -0.066 0.000 1.570 666 I CA -0.695 60.606 61.300 0.001 0.000 1.082 666 I CB 0.566 38.571 38.000 0.008 0.000 1.323 666 I HN 0.012 nan 8.210 nan 0.000 0.489 667 S N 0.512 116.171 115.700 -0.069 0.000 2.568 667 S HA 0.171 4.632 4.470 -0.014 0.000 0.282 667 S C 0.585 175.172 174.600 -0.022 0.000 1.338 667 S CA -0.220 57.956 58.200 -0.039 0.000 1.045 667 S CB 0.261 63.484 63.200 0.038 0.000 0.873 667 S HN 0.389 nan 8.310 nan 0.000 0.516 668 T N 2.917 117.489 114.554 0.029 0.000 2.908 668 T HA 0.359 4.701 4.350 -0.014 0.000 0.301 668 T C 0.787 175.501 174.700 0.024 0.000 1.019 668 T CA 0.279 62.404 62.100 0.041 0.000 1.152 668 T CB -0.082 68.881 68.868 0.158 0.000 0.966 668 T HN 1.036 nan 8.240 nan 0.000 0.540 669 A N 2.731 125.533 122.820 -0.029 0.000 2.584 669 A HA 0.446 4.758 4.320 -0.014 0.000 0.239 669 A C 1.650 179.231 177.584 -0.005 0.000 1.043 669 A CA 0.290 52.307 52.037 -0.035 0.000 0.756 669 A CB -0.887 18.079 19.000 -0.057 0.000 0.963 669 A HN 1.771 nan 8.150 nan 0.000 0.511 670 G N 1.332 110.129 108.800 -0.005 0.000 2.176 670 G HA2 -0.233 3.718 3.960 -0.014 0.000 0.232 670 G HA3 -0.233 3.718 3.960 -0.014 0.000 0.232 670 G C 0.827 175.722 174.900 -0.009 0.000 0.986 670 G CA 1.127 46.226 45.100 -0.002 0.000 0.643 670 G HN 1.996 nan 8.290 nan 0.000 0.522 671 T N -2.594 111.953 114.554 -0.010 0.000 3.026 671 T HA 0.414 4.755 4.350 -0.014 0.000 0.245 671 T C 0.727 175.293 174.700 -0.224 0.000 1.004 671 T CA 1.016 63.046 62.100 -0.116 0.000 1.069 671 T CB 0.566 69.412 68.868 -0.036 0.000 1.005 671 T HN 0.266 nan 8.240 nan 0.000 0.472 672 E N 1.581 121.782 120.200 0.001 0.000 2.052 672 E HA 0.661 5.003 4.350 -0.014 0.000 0.283 672 E C 1.161 177.726 176.600 -0.058 0.000 1.071 672 E CA 0.079 56.519 56.400 0.068 0.000 0.851 672 E CB 0.804 30.589 29.700 0.142 0.000 1.066 672 E HN 0.356 nan 8.360 nan 0.000 0.396 673 A N 3.408 126.120 122.820 -0.180 0.000 1.892 673 A HA -0.219 4.093 4.320 -0.014 0.000 0.218 673 A C 1.999 179.462 177.584 -0.201 0.000 1.188 673 A CA 2.272 54.068 52.037 -0.402 0.000 0.631 673 A CB -0.276 18.220 19.000 -0.841 0.000 0.822 673 A HN 0.599 nan 8.150 nan 0.000 0.447 674 S N -3.835 111.804 115.700 -0.101 0.000 3.624 674 S HA 0.450 4.911 4.470 -0.014 0.000 0.244 674 S C 0.734 175.327 174.600 -0.012 0.000 1.115 674 S CA 1.447 59.632 58.200 -0.024 0.000 0.820 674 S CB -0.129 63.078 63.200 0.012 0.000 0.964 674 S HN 2.250 nan 8.310 nan 0.000 0.508 675 G N 0.453 109.251 108.800 -0.004 0.000 2.722 675 G HA2 -0.091 3.861 3.960 -0.014 0.000 0.686 675 G HA3 -0.091 3.861 3.960 -0.014 0.000 0.686 675 G C 0.263 175.147 174.900 -0.027 0.000 1.282 675 G CA 0.468 45.562 45.100 -0.009 0.000 0.817 675 G HN 1.289 nan 8.290 nan 0.000 0.605 676 T N -1.795 112.730 114.554 -0.048 0.000 3.010 676 T HA 0.379 4.720 4.350 -0.014 0.000 0.253 676 T C 2.408 177.012 174.700 -0.160 0.000 0.939 676 T CA 1.262 63.305 62.100 -0.094 0.000 0.910 676 T CB 0.213 69.020 68.868 -0.101 0.000 1.226 676 T HN 1.917 nan 8.240 nan 0.000 0.508 677 G N 3.254 111.984 108.800 -0.116 0.000 2.469 677 G HA2 -0.312 3.640 3.960 -0.014 0.000 0.219 677 G HA3 -0.312 3.640 3.960 -0.014 0.000 0.219 677 G C 1.471 176.414 174.900 0.072 0.000 1.150 677 G CA 1.295 46.345 45.100 -0.083 0.000 0.763 677 G HN 0.844 nan 8.290 nan 0.000 0.561 678 N N -0.072 118.661 118.700 0.054 0.000 2.060 678 N HA -0.125 4.606 4.740 -0.014 0.000 0.195 678 N C 1.451 176.965 175.510 0.007 0.000 1.028 678 N CA 0.738 53.821 53.050 0.055 0.000 0.861 678 N CB -0.352 38.124 38.487 -0.020 0.000 1.029 678 N HN 0.348 nan 8.380 nan 0.000 0.428 682 M N 0.303 119.989 119.600 0.144 0.000 2.108 682 M HA -0.168 4.303 4.480 -0.014 0.000 0.261 682 M C 2.004 178.358 176.300 0.090 0.000 1.066 682 M CA 1.858 57.213 55.300 0.092 0.000 1.107 682 M CB -0.097 32.544 32.600 0.069 0.000 1.356 682 M HN 0.315 nan 8.290 nan 0.000 0.406 683 L N 0.712 121.984 121.223 0.082 0.000 2.275 683 L HA -0.090 4.242 4.340 -0.014 0.000 0.215 683 L C 1.329 178.246 176.870 0.077 0.000 1.119 683 L CA 1.633 56.529 54.840 0.092 0.000 0.790 683 L CB -0.613 41.509 42.059 0.106 0.000 0.919 683 L HN 0.353 nan 8.230 nan 0.000 0.443 684 N N -0.393 118.345 118.700 0.063 0.000 2.214 684 N HA 0.176 4.908 4.740 -0.014 0.000 0.214 684 N C 0.826 176.378 175.510 0.068 0.000 1.132 684 N CA 0.781 53.863 53.050 0.054 0.000 0.856 684 N CB 0.627 39.124 38.487 0.017 0.000 1.020 684 N HN 0.382 nan 8.380 nan 0.000 0.509 685 G N 0.625 109.471 108.800 0.077 0.000 2.142 685 G HA2 -0.197 3.755 3.960 -0.014 0.000 0.225 685 G HA3 -0.197 3.755 3.960 -0.014 0.000 0.225 685 G C -0.005 174.969 174.900 0.124 0.000 1.015 685 G CA 0.134 45.280 45.100 0.076 0.000 0.716 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.332 122.574 122.820 0.143 0.000 2.312 686 A HA 0.885 5.196 4.320 -0.014 0.000 0.328 686 A C 0.461 178.063 177.584 0.030 0.000 1.158 686 A CA -0.610 51.529 52.037 0.170 0.000 0.821 686 A CB 0.976 20.126 19.000 0.250 0.000 1.170 686 A HN 0.721 nan 8.150 nan 0.000 0.490 687 L N 0.696 121.901 121.223 -0.031 0.000 2.421 687 L HA 0.454 4.786 4.340 -0.014 0.000 0.263 687 L C 0.189 176.951 176.870 -0.180 0.000 1.122 687 L CA -0.377 54.349 54.840 -0.189 0.000 0.804 687 L CB 1.467 43.323 42.059 -0.338 0.000 1.150 687 L HN 0.682 nan 8.230 nan 0.000 0.457 688 T N 2.477 116.806 114.554 -0.375 0.000 2.779 688 T HA 0.459 4.800 4.350 -0.014 0.000 0.280 688 T C -0.411 174.122 174.700 -0.278 0.000 0.987 688 T CA -0.260 61.564 62.100 -0.459 0.000 0.966 688 T CB 1.528 69.902 68.868 -0.823 0.000 0.933 688 T HN 0.350 nan 8.240 nan 0.000 0.442 689 I N 2.954 123.472 120.570 -0.087 0.000 2.339 689 I HA 0.713 4.875 4.170 -0.014 0.000 0.290 689 I C 0.063 176.321 176.117 0.235 0.000 0.994 689 I CA 0.057 61.427 61.300 0.116 0.000 1.191 689 I CB 0.367 38.380 38.000 0.023 0.000 1.343 689 I HN 0.776 nan 8.210 nan 0.000 0.458 690 G N 4.053 113.087 108.800 0.390 0.000 2.673 690 G HA2 0.456 4.408 3.960 -0.014 0.000 0.292 690 G HA3 0.456 4.408 3.960 -0.014 0.000 0.292 690 G C -0.888 173.980 174.900 -0.054 0.000 1.450 690 G CA -0.471 44.774 45.100 0.242 0.000 0.837 690 G HN 0.594 nan 8.290 nan 0.000 0.505 691 T N -0.997 113.381 114.554 -0.293 0.000 2.849 691 T HA 0.495 4.837 4.350 -0.014 0.000 0.284 691 T C 0.762 175.359 174.700 -0.172 0.000 1.004 691 T CA -0.693 61.147 62.100 -0.433 0.000 1.021 691 T CB 1.103 69.729 68.868 -0.403 0.000 1.013 691 T HN 0.256 nan 8.240 nan 0.000 0.527 692 M N 2.849 122.352 119.600 -0.162 0.000 3.436 692 M HA 0.329 4.801 4.480 -0.014 0.000 0.240 692 M C -0.466 175.785 176.300 -0.082 0.000 1.469 692 M CA -0.076 55.163 55.300 -0.103 0.000 1.622 692 M CB -1.725 30.820 32.600 -0.092 0.000 1.098 692 M HN 0.733 nan 8.290 nan 0.000 0.568 693 D N -0.025 120.336 120.400 -0.065 0.000 2.732 693 D HA 0.663 5.295 4.640 -0.014 0.000 0.229 693 D C 0.719 177.004 176.300 -0.025 0.000 1.152 693 D CA 0.707 54.683 54.000 -0.040 0.000 0.854 693 D CB 1.726 42.504 40.800 -0.037 0.000 1.590 693 D HN 0.597 nan 8.370 nan 0.000 0.468 694 G N 1.880 110.674 108.800 -0.009 0.000 2.652 694 G HA2 -0.267 3.685 3.960 -0.014 0.000 0.318 694 G HA3 -0.267 3.685 3.960 -0.014 0.000 0.318 694 G C 1.048 175.947 174.900 -0.002 0.000 1.295 694 G CA 1.180 46.279 45.100 -0.001 0.000 0.999 694 G HN 1.076 nan 8.290 nan 0.000 0.548 695 A N -0.291 122.524 122.820 -0.008 0.000 2.167 695 A HA 0.114 4.426 4.320 -0.014 0.000 0.214 695 A C 2.105 179.637 177.584 -0.086 0.000 1.151 695 A CA 1.751 53.779 52.037 -0.015 0.000 0.735 695 A CB -0.430 18.554 19.000 -0.026 0.000 0.802 695 A HN 0.615 nan 8.150 nan 0.000 0.467 696 N N 0.617 119.275 118.700 -0.071 0.000 2.137 696 N HA -0.162 4.569 4.740 -0.014 0.000 0.190 696 N C 1.603 176.984 175.510 -0.214 0.000 1.017 696 N CA 1.637 54.639 53.050 -0.080 0.000 0.859 696 N CB -0.648 37.847 38.487 0.015 0.000 1.002 696 N HN 0.292 nan 8.380 nan 0.000 0.428 697 V N 1.244 121.078 119.914 -0.133 0.000 2.287 697 V HA -0.218 3.894 4.120 -0.014 0.000 0.248 697 V C 1.997 178.017 176.094 -0.124 0.000 1.053 697 V CA 1.723 63.941 62.300 -0.137 0.000 1.027 697 V CB -0.476 31.305 31.823 -0.070 0.000 0.646 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.706 119.480 120.200 -0.023 0.000 2.158 698 E HA -0.104 4.238 4.350 -0.014 0.000 0.191 698 E C 2.221 178.939 176.600 0.196 0.000 0.982 698 E CA 0.917 57.380 56.400 0.106 0.000 0.823 698 E CB -0.161 29.682 29.700 0.239 0.000 0.766 698 E HN 0.544 nan 8.360 nan 0.000 0.468 699 M N 0.548 120.161 119.600 0.023 0.000 2.086 699 M HA -0.160 4.312 4.480 -0.014 0.000 0.261 699 M C 2.524 178.647 176.300 -0.296 0.000 1.067 699 M CA 1.612 56.863 55.300 -0.082 0.000 1.116 699 M CB -0.252 32.195 32.600 -0.254 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.021 122.323 122.820 -0.794 0.000 1.908 700 A HA -0.238 4.074 4.320 -0.014 0.000 0.218 700 A C 1.985 179.393 177.584 -0.293 0.000 1.181 700 A CA 2.088 53.633 52.037 -0.820 0.000 0.627 700 A CB -0.865 17.609 19.000 -0.876 0.000 0.818 700 A HN 0.601 nan 8.150 nan 0.000 0.445 701 E N -0.399 119.692 120.200 -0.183 0.000 2.051 701 E HA -0.227 4.114 4.350 -0.014 0.000 0.192 701 E C 1.842 178.420 176.600 -0.036 0.000 0.991 701 E CA 1.358 57.708 56.400 -0.083 0.000 0.799 701 E CB -0.093 29.576 29.700 -0.053 0.000 0.748 701 E HN 0.561 nan 8.360 nan 0.000 0.449 702 E N 0.144 120.351 120.200 0.012 0.000 2.051 702 E HA -0.157 4.185 4.350 -0.014 0.000 0.192 702 E C 1.910 178.535 176.600 0.042 0.000 0.991 702 E CA 1.214 57.640 56.400 0.042 0.000 0.799 702 E CB -0.267 29.506 29.700 0.123 0.000 0.748 702 E HN 0.387 nan 8.360 nan 0.000 0.449 703 A N 0.417 123.269 122.820 0.053 0.000 2.072 703 A HA 0.312 4.623 4.320 -0.014 0.000 0.216 703 A C 1.091 178.691 177.584 0.026 0.000 1.156 703 A CA 1.126 53.204 52.037 0.068 0.000 0.701 703 A CB -0.103 18.988 19.000 0.150 0.000 0.816 703 A HN 0.271 nan 8.150 nan 0.000 0.458 704 G N -0.573 108.220 108.800 -0.011 0.000 3.039 704 G HA2 -0.109 3.843 3.960 -0.014 0.000 0.686 704 G HA3 -0.109 3.843 3.960 -0.014 0.000 0.686 704 G C -0.009 174.874 174.900 -0.028 0.000 1.066 704 G CA 0.001 45.086 45.100 -0.025 0.000 0.774 704 G HN 0.275 nan 8.290 nan 0.000 0.591 705 E N 1.071 121.242 120.200 -0.047 0.000 2.209 705 E HA -0.161 4.181 4.350 -0.014 0.000 0.196 705 E C 2.052 178.639 176.600 -0.021 0.000 0.993 705 E CA 1.710 58.089 56.400 -0.034 0.000 0.819 705 E CB 0.075 29.751 29.700 -0.040 0.000 0.745 705 E HN 0.776 nan 8.360 nan 0.000 0.477 706 E N 0.842 121.017 120.200 -0.042 0.000 2.204 706 E HA -0.111 4.231 4.350 -0.014 0.000 0.195 706 E C 1.023 177.539 176.600 -0.141 0.000 0.990 706 E CA 0.728 57.082 56.400 -0.077 0.000 0.821 706 E CB -0.038 29.628 29.700 -0.057 0.000 0.750 706 E HN 0.151 nan 8.360 nan 0.000 0.477 707 N N -0.439 118.205 118.700 -0.092 0.000 2.251 707 N HA 0.151 4.883 4.740 -0.014 0.000 0.217 707 N C -0.997 174.436 175.510 -0.128 0.000 1.124 707 N CA 0.060 53.027 53.050 -0.138 0.000 0.843 707 N CB 0.387 38.842 38.487 -0.052 0.000 1.024 707 N HN 0.045 nan 8.380 nan 0.000 0.501 708 F N -0.308 119.431 119.950 -0.352 0.000 2.588 708 F HA 0.404 4.922 4.527 -0.015 0.000 0.310 708 F C -0.948 174.638 175.800 -0.357 0.000 1.082 708 F CA -1.096 56.740 58.000 -0.273 0.000 0.929 708 F CB 1.349 40.276 39.000 -0.121 0.000 1.254 708 F HN -0.218 nan 8.300 nan 0.000 0.455 709 F N 5.768 125.697 119.950 -0.034 0.000 2.329 709 F HA 0.435 4.954 4.527 -0.014 0.000 0.362 709 F C -0.132 175.802 175.800 0.223 0.000 1.113 709 F CA -0.401 57.635 58.000 0.060 0.000 1.212 709 F CB 0.067 39.048 39.000 -0.032 0.000 1.509 709 F HN 0.080 nan 8.300 nan 0.000 0.546 710 I N 4.230 125.023 120.570 0.372 0.000 2.396 710 I HA 0.394 4.556 4.170 -0.014 0.000 0.292 710 I C -0.300 176.020 176.117 0.338 0.000 0.999 710 I CA -0.684 60.805 61.300 0.315 0.000 1.310 710 I CB 0.885 38.991 38.000 0.177 0.000 1.404 710 I HN 0.335 nan 8.210 nan 0.000 0.496 711 F N 3.566 123.591 119.950 0.125 0.000 2.664 711 F HA 0.949 5.468 4.527 -0.015 0.000 0.317 711 F C 0.002 175.846 175.800 0.075 0.000 1.108 711 F CA -0.729 57.331 58.000 0.100 0.000 0.957 711 F CB 1.057 40.128 39.000 0.119 0.000 1.365 711 F HN 0.766 nan 8.300 nan 0.000 0.475 712 G N 0.960 109.807 108.800 0.077 0.000 2.710 712 G HA2 -0.047 3.905 3.960 -0.014 0.000 0.668 712 G HA3 -0.047 3.905 3.960 -0.014 0.000 0.668 712 G C -0.984 173.883 174.900 -0.055 0.000 1.320 712 G CA -0.679 44.405 45.100 -0.026 0.000 0.860 712 G HN 0.941 nan 8.290 nan 0.000 0.538 713 M N 0.889 120.468 119.600 -0.036 0.000 2.249 713 M HA 0.224 4.696 4.480 -0.014 0.000 0.340 713 M C 1.202 177.466 176.300 -0.060 0.000 1.166 713 M CA -0.008 55.279 55.300 -0.021 0.000 1.115 713 M CB 0.318 32.913 32.600 -0.008 0.000 1.606 713 M HN 0.516 nan 8.290 nan 0.000 0.448 714 R N 1.721 122.200 120.500 -0.036 0.000 2.546 714 R HA 0.241 4.573 4.340 -0.014 0.000 0.266 714 R C 1.243 177.524 176.300 -0.032 0.000 1.086 714 R CA -0.534 55.541 56.100 -0.042 0.000 1.160 714 R CB -0.036 30.246 30.300 -0.030 0.000 1.138 714 R HN 0.579 nan 8.270 nan 0.000 0.567 715 V N 1.571 121.465 119.914 -0.033 0.000 2.278 715 V HA -0.304 3.808 4.120 -0.014 0.000 0.251 715 V C 1.909 177.992 176.094 -0.018 0.000 1.062 715 V CA 2.175 64.460 62.300 -0.026 0.000 1.038 715 V CB -0.466 31.341 31.823 -0.027 0.000 0.646 715 V HN 0.640 nan 8.190 nan 0.000 0.447 716 E N 0.046 120.237 120.200 -0.015 0.000 2.110 716 E HA -0.184 4.158 4.350 -0.014 0.000 0.193 716 E C 1.956 178.558 176.600 0.003 0.000 0.988 716 E CA 1.397 57.793 56.400 -0.007 0.000 0.804 716 E CB -0.370 29.326 29.700 -0.006 0.000 0.745 716 E HN 0.644 nan 8.360 nan 0.000 0.458 717 D N -0.178 120.226 120.400 0.006 0.000 2.117 717 D HA -0.096 4.535 4.640 -0.014 0.000 0.198 717 D C 2.003 178.317 176.300 0.022 0.000 0.982 717 D CA 0.821 54.834 54.000 0.022 0.000 0.828 717 D CB -0.147 40.669 40.800 0.027 0.000 0.967 717 D HN 0.062 nan 8.370 nan 0.000 0.464 718 V N 1.887 121.802 119.914 0.002 0.000 2.295 718 V HA -0.221 3.890 4.120 -0.014 0.000 0.246 718 V C 2.004 178.096 176.094 -0.003 0.000 1.049 718 V CA 1.713 64.006 62.300 -0.011 0.000 1.024 718 V CB -0.420 31.387 31.823 -0.027 0.000 0.648 718 V HN 0.031 nan 8.190 nan 0.000 0.447 719 D N -0.124 120.275 120.400 -0.002 0.000 2.104 719 D HA -0.165 4.466 4.640 -0.014 0.000 0.194 719 D C 2.421 178.731 176.300 0.015 0.000 0.994 719 D CA 1.343 55.344 54.000 0.001 0.000 0.830 719 D CB -0.267 40.530 40.800 -0.004 0.000 0.959 719 D HN 0.339 nan 8.370 nan 0.000 0.452 720 R N 0.065 120.579 120.500 0.023 0.000 2.091 720 R HA -0.049 4.282 4.340 -0.014 0.000 0.238 720 R C 2.518 178.851 176.300 0.055 0.000 1.136 720 R CA 0.592 56.713 56.100 0.036 0.000 0.959 720 R CB -0.379 29.945 30.300 0.039 0.000 0.856 720 R HN 0.202 nan 8.270 nan 0.000 0.437 721 L N 0.535 121.799 121.223 0.068 0.000 2.093 721 L HA -0.211 4.120 4.340 -0.014 0.000 0.208 721 L C 1.467 178.398 176.870 0.102 0.000 1.085 721 L CA 1.313 56.218 54.840 0.110 0.000 0.755 721 L CB -0.280 41.855 42.059 0.128 0.000 0.904 721 L HN 0.241 nan 8.230 nan 0.000 0.435 722 D N -0.457 119.978 120.400 0.057 0.000 2.117 722 D HA -0.209 4.422 4.640 -0.014 0.000 0.197 722 D C 2.221 178.548 176.300 0.045 0.000 0.987 722 D CA 1.129 55.156 54.000 0.045 0.000 0.829 722 D CB -0.061 40.746 40.800 0.011 0.000 0.961 722 D HN 0.410 nan 8.370 nan 0.000 0.460 723 Q N -0.030 119.792 119.800 0.038 0.000 2.124 723 Q HA -0.088 4.243 4.340 -0.014 0.000 0.202 723 Q C 2.220 178.244 176.000 0.040 0.000 0.977 723 Q CA 0.971 56.793 55.803 0.033 0.000 0.850 723 Q CB 0.045 28.799 28.738 0.027 0.000 0.901 723 Q HN 0.133 nan 8.270 nan 0.000 0.429 724 R N -0.445 120.087 120.500 0.054 0.000 2.119 724 R HA 0.047 4.379 4.340 -0.014 0.000 0.222 724 R C -0.114 176.224 176.300 0.063 0.000 1.088 724 R CA 0.835 56.969 56.100 0.056 0.000 0.984 724 R CB 0.339 30.680 30.300 0.069 0.000 0.884 724 R HN 0.275 nan 8.270 nan 0.000 0.447 725 G N -0.163 108.688 108.800 0.085 0.000 3.355 725 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.686 725 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.686 725 G C -1.420 173.573 174.900 0.155 0.000 1.097 725 G CA -0.473 44.686 45.100 0.097 0.000 0.881 725 G HN 0.251 nan 8.290 nan 0.000 0.550 726 Y N 3.650 123.978 120.300 0.045 0.000 2.436 726 Y HA 0.503 5.044 4.550 -0.014 0.000 0.343 726 Y C 0.578 176.527 175.900 0.081 0.000 1.008 726 Y CA -0.695 57.450 58.100 0.075 0.000 1.241 726 Y CB 0.741 39.226 38.460 0.041 0.000 1.153 726 Y HN 0.576 nan 8.280 nan 0.000 0.521 727 N N 5.151 123.669 118.700 -0.304 0.000 2.558 727 N HA 0.345 5.077 4.740 -0.014 0.000 0.242 727 N C 0.343 175.621 175.510 -0.386 0.000 0.979 727 N CA 0.203 53.062 53.050 -0.317 0.000 0.931 727 N CB 1.082 39.502 38.487 -0.112 0.000 1.122 727 N HN 0.874 nan 8.380 nan 0.000 0.508 728 A N 2.968 125.447 122.820 -0.568 0.000 1.972 728 A HA -0.216 4.095 4.320 -0.014 0.000 0.219 728 A C 2.018 179.733 177.584 0.218 0.000 1.169 728 A CA 1.258 53.189 52.037 -0.176 0.000 0.635 728 A CB -0.379 18.440 19.000 -0.303 0.000 0.810 728 A HN 0.772 nan 8.150 nan 0.000 0.446 729 Q N 0.260 120.081 119.800 0.036 0.000 2.152 729 Q HA -0.238 4.093 4.340 -0.014 0.000 0.206 729 Q C 1.888 177.966 176.000 0.129 0.000 0.985 729 Q CA 2.305 58.152 55.803 0.072 0.000 0.863 729 Q CB -0.357 28.375 28.738 -0.009 0.000 0.904 729 Q HN 0.774 nan 8.270 nan 0.000 0.422 730 E N -1.384 118.836 120.200 0.032 0.000 2.058 730 E HA -0.247 4.095 4.350 -0.014 0.000 0.194 730 E C 1.593 178.128 176.600 -0.108 0.000 0.997 730 E CA 1.528 57.877 56.400 -0.087 0.000 0.801 730 E CB -0.234 29.325 29.700 -0.235 0.000 0.746 730 E HN 0.590 nan 8.360 nan 0.000 0.450 731 Y N -1.039 119.324 120.300 0.104 0.000 2.163 731 Y HA -0.222 4.320 4.550 -0.014 0.000 0.288 731 Y C 2.255 178.138 175.900 -0.029 0.000 1.136 731 Y CA 1.601 59.746 58.100 0.075 0.000 1.147 731 Y CB -0.721 37.841 38.460 0.171 0.000 0.987 731 Y HN 0.230 nan 8.280 nan 0.000 0.509 732 Y N 1.341 121.650 120.300 0.015 0.000 2.151 732 Y HA -0.299 4.242 4.550 -0.014 0.000 0.284 732 Y C 1.820 177.678 175.900 -0.070 0.000 1.166 732 Y CA 1.938 59.973 58.100 -0.109 0.000 1.163 732 Y CB -0.385 38.066 38.460 -0.015 0.000 0.974 732 Y HN 0.098 nan 8.280 nan 0.000 0.511 733 D N -0.471 120.000 120.400 0.120 0.000 2.183 733 D HA -0.082 4.550 4.640 -0.014 0.000 0.203 733 D C 1.843 178.108 176.300 -0.058 0.000 0.969 733 D CA 1.173 55.193 54.000 0.033 0.000 0.842 733 D CB -0.086 40.758 40.800 0.074 0.000 0.957 733 D HN 0.479 nan 8.370 nan 0.000 0.484 734 R N -0.221 120.245 120.500 -0.057 0.000 2.334 734 R HA 0.282 4.614 4.340 -0.014 0.000 0.212 734 R C 0.321 176.594 176.300 -0.047 0.000 0.897 734 R CA 0.081 56.150 56.100 -0.052 0.000 1.056 734 R CB 1.140 31.409 30.300 -0.052 0.000 1.046 734 R HN 0.143 nan 8.270 nan 0.000 0.513 735 I N 2.152 122.675 120.570 -0.079 0.000 2.464 735 I HA 0.228 4.390 4.170 -0.014 0.000 0.277 735 I C -1.949 174.075 176.117 -0.155 0.000 1.040 735 I CA -2.337 58.924 61.300 -0.065 0.000 1.153 735 I CB 2.074 40.074 38.000 0.001 0.000 1.274 735 I HN -0.295 nan 8.210 nan 0.000 0.469 736 P HA -0.174 nan 4.420 nan 0.000 0.216 736 P C 1.217 178.429 177.300 -0.148 0.000 1.153 736 P CA 1.411 64.423 63.100 -0.146 0.000 0.858 736 P CB 0.305 31.951 31.700 -0.090 0.000 0.789 737 E N -1.051 119.100 120.200 -0.081 0.000 2.110 737 E HA -0.169 4.173 4.350 -0.014 0.000 0.193 737 E C 1.881 178.397 176.600 -0.139 0.000 0.988 737 E CA 0.700 57.070 56.400 -0.050 0.000 0.804 737 E CB -0.581 29.158 29.700 0.066 0.000 0.745 737 E HN 0.118 nan 8.360 nan 0.000 0.458 738 L N 1.246 122.303 121.223 -0.277 0.000 2.056 738 L HA -0.138 4.194 4.340 -0.014 0.000 0.207 738 L C 2.410 179.025 176.870 -0.423 0.000 1.078 738 L CA 1.612 56.129 54.840 -0.538 0.000 0.749 738 L CB -0.321 41.267 42.059 -0.786 0.000 0.901 738 L HN -0.081 nan 8.230 nan 0.000 0.433 739 R N -0.800 119.419 120.500 -0.469 0.000 2.096 739 R HA -0.263 4.069 4.340 -0.014 0.000 0.240 739 R C 2.394 178.541 176.300 -0.255 0.000 1.139 739 R CA 2.143 57.891 56.100 -0.586 0.000 0.952 739 R CB -0.422 29.451 30.300 -0.711 0.000 0.854 739 R HN 0.607 nan 8.270 nan 0.000 0.436 740 Q N 0.405 120.088 119.800 -0.195 0.000 2.061 740 Q HA -0.195 4.136 4.340 -0.014 0.000 0.204 740 Q C 2.126 178.084 176.000 -0.070 0.000 0.984 740 Q CA 2.156 57.889 55.803 -0.118 0.000 0.846 740 Q CB -0.137 28.532 28.738 -0.115 0.000 0.902 740 Q HN 0.504 nan 8.270 nan 0.000 0.421 741 I N 0.644 121.171 120.570 -0.071 0.000 2.226 741 I HA -0.293 3.869 4.170 -0.014 0.000 0.245 741 I C 2.136 178.284 176.117 0.050 0.000 1.100 741 I CA 0.682 61.979 61.300 -0.005 0.000 1.374 741 I CB -0.322 37.651 38.000 -0.046 0.000 1.057 741 I HN 0.311 nan 8.210 nan 0.000 0.413 742 I N 0.785 121.384 120.570 0.048 0.000 2.286 742 I HA -0.236 3.926 4.170 -0.014 0.000 0.248 742 I C 2.423 178.642 176.117 0.170 0.000 1.115 742 I CA 1.650 63.043 61.300 0.155 0.000 1.392 742 I CB -1.242 36.935 38.000 0.296 0.000 1.065 742 I HN 0.340 nan 8.210 nan 0.000 0.418 743 E N 0.294 120.574 120.200 0.134 0.000 2.106 743 E HA -0.215 4.127 4.350 -0.014 0.000 0.192 743 E C 2.194 178.863 176.600 0.115 0.000 0.984 743 E CA 0.828 57.300 56.400 0.120 0.000 0.806 743 E CB -0.069 29.673 29.700 0.071 0.000 0.750 743 E HN 0.547 nan 8.360 nan 0.000 0.458 744 Q N 0.433 120.289 119.800 0.093 0.000 2.050 744 Q HA -0.156 4.175 4.340 -0.014 0.000 0.202 744 Q C 2.342 178.538 176.000 0.326 0.000 0.980 744 Q CA 1.076 56.962 55.803 0.137 0.000 0.840 744 Q CB -0.068 28.703 28.738 0.055 0.000 0.898 744 Q HN 0.304 nan 8.270 nan 0.000 0.424 745 L N -0.048 121.363 121.223 0.313 0.000 1.994 745 L HA -0.214 4.117 4.340 -0.014 0.000 0.208 745 L C 2.483 179.535 176.870 0.304 0.000 1.071 745 L CA 1.116 56.145 54.840 0.316 0.000 0.745 745 L CB -0.437 41.720 42.059 0.163 0.000 0.892 745 L HN 0.163 nan 8.230 nan 0.000 0.431 746 S N -0.295 115.540 115.700 0.226 0.000 2.368 746 S HA -0.165 4.296 4.470 -0.014 0.000 0.225 746 S C 2.092 176.798 174.600 0.177 0.000 1.030 746 S CA 1.590 59.904 58.200 0.190 0.000 0.999 746 S CB -0.246 63.045 63.200 0.152 0.000 0.844 746 S HN 0.619 nan 8.310 nan 0.000 0.459 747 S N 0.329 116.136 115.700 0.178 0.000 2.489 747 S HA 0.304 4.765 4.470 -0.014 0.000 0.228 747 S C 1.439 176.135 174.600 0.160 0.000 0.995 747 S CA 0.789 59.079 58.200 0.150 0.000 0.934 747 S CB -0.035 63.245 63.200 0.134 0.000 0.771 747 S HN 0.841 nan 8.310 nan 0.000 0.522 748 G N 0.445 109.374 108.800 0.216 0.000 2.138 748 G HA2 -0.256 3.695 3.960 -0.014 0.000 0.193 748 G HA3 -0.256 3.695 3.960 -0.014 0.000 0.193 748 G C 0.176 175.177 174.900 0.170 0.000 0.998 748 G CA 0.078 45.294 45.100 0.193 0.000 0.668 748 G HN 0.497 nan 8.290 nan 0.000 0.516 749 F N 0.286 120.254 119.950 0.030 0.000 2.161 749 F HA 0.178 4.696 4.527 -0.014 0.000 0.300 749 F C 1.895 177.511 175.800 -0.306 0.000 1.089 749 F CA 1.973 59.870 58.000 -0.172 0.000 1.282 749 F CB -0.033 38.794 39.000 -0.288 0.000 1.010 749 F HN 0.178 nan 8.300 nan 0.000 0.485 750 F N -0.373 119.696 119.950 0.199 0.000 2.727 750 F HA 0.187 4.706 4.527 -0.014 0.000 0.302 750 F C 0.649 176.547 175.800 0.163 0.000 1.097 750 F CA 0.287 58.360 58.000 0.123 0.000 1.330 750 F CB -0.065 39.016 39.000 0.135 0.000 1.084 750 F HN -0.037 nan 8.300 nan 0.000 0.578 751 S N -1.885 113.959 115.700 0.239 0.000 2.564 751 S HA 0.311 4.773 4.470 -0.014 0.000 0.141 751 S C -2.475 172.145 174.600 0.034 0.000 1.474 751 S CA -1.002 57.267 58.200 0.115 0.000 1.236 751 S CB 0.888 64.123 63.200 0.058 0.000 1.481 751 S HN -0.190 nan 8.310 nan 0.000 0.397 752 P HA -0.060 nan 4.420 nan 0.000 0.215 752 P C 1.050 178.342 177.300 -0.013 0.000 1.153 752 P CA 1.266 64.347 63.100 -0.032 0.000 0.853 752 P CB 0.097 31.752 31.700 -0.075 0.000 0.788 753 K N -1.203 119.188 120.400 -0.014 0.000 2.365 753 K HA 0.022 4.334 4.320 -0.014 0.000 0.197 753 K C 0.647 177.245 176.600 -0.003 0.000 1.042 753 K CA 0.694 56.975 56.287 -0.008 0.000 0.987 753 K CB 0.086 32.581 32.500 -0.009 0.000 0.779 753 K HN 0.299 nan 8.250 nan 0.000 0.484 754 Q N -0.199 119.597 119.800 -0.006 0.000 2.907 754 Q HA 0.165 4.496 4.340 -0.014 0.000 0.262 754 Q C -2.394 173.599 176.000 -0.010 0.000 0.997 754 Q CA -1.684 54.111 55.803 -0.013 0.000 0.797 754 Q CB 1.443 30.165 28.738 -0.028 0.000 1.228 754 Q HN -0.089 nan 8.270 nan 0.000 0.466 755 P HA -0.228 nan 4.420 nan 0.000 0.216 755 P C 0.689 178.025 177.300 0.061 0.000 1.150 755 P CA 1.523 64.652 63.100 0.049 0.000 0.843 755 P CB 0.194 31.922 31.700 0.047 0.000 0.787 756 D N -1.361 119.059 120.400 0.034 0.000 2.358 756 D HA -0.003 4.629 4.640 -0.014 0.000 0.224 756 D C 1.588 177.889 176.300 0.003 0.000 1.123 756 D CA -0.251 53.776 54.000 0.046 0.000 0.833 756 D CB -0.655 40.172 40.800 0.045 0.000 0.946 756 D HN 0.021 nan 8.370 nan 0.000 0.505 757 L N -0.073 121.088 121.223 -0.104 0.000 2.043 757 L HA -0.066 4.266 4.340 -0.014 0.000 0.212 757 L C 1.255 177.931 176.870 -0.322 0.000 1.075 757 L CA 1.678 56.342 54.840 -0.293 0.000 0.752 757 L CB -0.602 41.104 42.059 -0.588 0.000 0.891 757 L HN -0.011 nan 8.230 nan 0.000 0.432 758 F N -0.611 119.393 119.950 0.089 0.000 2.645 758 F HA 0.111 4.630 4.527 -0.014 0.000 0.300 758 F C 1.865 177.716 175.800 0.085 0.000 1.115 758 F CA -0.114 57.929 58.000 0.072 0.000 1.355 758 F CB -0.328 38.704 39.000 0.052 0.000 1.026 758 F HN 0.121 nan 8.300 nan 0.000 0.536 759 K N -0.370 120.149 120.400 0.197 0.000 2.103 759 K HA -0.184 4.128 4.320 -0.014 0.000 0.207 759 K C 1.034 177.736 176.600 0.170 0.000 1.048 759 K CA 1.917 58.303 56.287 0.166 0.000 0.930 759 K CB -0.257 32.316 32.500 0.121 0.000 0.716 759 K HN 0.065 nan 8.250 nan 0.000 0.444 760 D N 1.272 121.781 120.400 0.182 0.000 2.117 760 D HA -0.088 4.543 4.640 -0.014 0.000 0.197 760 D C 2.022 178.427 176.300 0.176 0.000 0.987 760 D CA 1.132 55.246 54.000 0.190 0.000 0.829 760 D CB -0.089 40.861 40.800 0.249 0.000 0.961 760 D HN 0.306 nan 8.370 nan 0.000 0.460 761 I N 0.387 121.065 120.570 0.180 0.000 2.202 761 I HA -0.208 3.953 4.170 -0.014 0.000 0.242 761 I C 2.427 178.608 176.117 0.106 0.000 1.091 761 I CA 0.592 61.971 61.300 0.131 0.000 1.368 761 I CB -0.219 37.853 38.000 0.120 0.000 1.058 761 I HN -0.115 nan 8.210 nan 0.000 0.410 762 V N 1.118 121.110 119.914 0.130 0.000 2.343 762 V HA -0.300 3.812 4.120 -0.014 0.000 0.247 762 V C 2.048 178.181 176.094 0.066 0.000 1.051 762 V CA 2.294 64.657 62.300 0.106 0.000 1.036 762 V CB -0.990 30.911 31.823 0.131 0.000 0.654 762 V HN 0.432 nan 8.190 nan 0.000 0.451 763 N N -0.493 118.280 118.700 0.122 0.000 2.120 763 N HA -0.196 4.536 4.740 -0.014 0.000 0.188 763 N C 1.849 177.465 175.510 0.177 0.000 1.024 763 N CA 1.613 54.773 53.050 0.183 0.000 0.852 763 N CB -0.242 38.393 38.487 0.247 0.000 1.003 763 N HN 0.323 nan 8.380 nan 0.000 0.424 764 M N 0.083 119.782 119.600 0.165 0.000 2.086 764 M HA -0.098 4.374 4.480 -0.014 0.000 0.261 764 M C 1.345 177.655 176.300 0.017 0.000 1.067 764 M CA 1.395 56.794 55.300 0.166 0.000 1.116 764 M CB -0.490 32.199 32.600 0.149 0.000 1.348 764 M HN 0.143 nan 8.290 nan 0.000 0.407 765 L N 0.699 121.874 121.223 -0.079 0.000 2.046 765 L HA -0.205 4.126 4.340 -0.014 0.000 0.208 765 L C 2.465 179.053 176.870 -0.469 0.000 1.077 765 L CA 1.628 56.281 54.840 -0.311 0.000 0.747 765 L CB -1.253 40.635 42.059 -0.286 0.000 0.896 765 L HN 0.343 nan 8.230 nan 0.000 0.432 766 M N -1.700 117.677 119.600 -0.372 0.000 2.200 766 M HA -0.089 4.383 4.480 -0.014 0.000 0.265 766 M C 1.802 177.672 176.300 -0.716 0.000 1.066 766 M CA 1.488 56.449 55.300 -0.565 0.000 1.127 766 M CB -0.806 31.350 32.600 -0.741 0.000 1.379 766 M HN 0.353 nan 8.290 nan 0.000 0.420 767 H N -2.775 116.158 119.070 -0.228 0.000 3.400 767 H HA 0.239 4.787 4.556 -0.014 0.000 0.251 767 H C 0.159 175.093 175.328 -0.657 0.000 1.040 767 H CA 0.428 56.191 56.048 -0.475 0.000 1.175 767 H CB 0.375 29.751 29.762 -0.644 0.000 1.487 767 H HN 0.506 nan 8.280 nan 0.000 0.505 768 H N 0.145 119.268 119.070 0.089 0.000 2.790 768 H HA 0.155 4.702 4.556 -0.014 0.000 0.232 768 H C -0.777 174.576 175.328 0.042 0.000 1.313 768 H CA -0.353 55.738 56.048 0.072 0.000 1.011 768 H CB 0.821 30.630 29.762 0.079 0.000 2.105 768 H HN -0.014 nan 8.280 nan 0.000 0.580 769 D N 1.073 121.536 120.400 0.105 0.000 2.411 769 D HA 0.107 4.739 4.640 -0.014 0.000 0.225 769 D C 0.962 177.226 176.300 -0.061 0.000 1.156 769 D CA -0.313 53.720 54.000 0.055 0.000 0.874 769 D CB 0.616 41.432 40.800 0.026 0.000 1.034 769 D HN 0.317 nan 8.370 nan 0.000 0.502 770 R N 2.264 122.628 120.500 -0.227 0.000 2.237 770 R HA -0.045 4.286 4.340 -0.014 0.000 0.219 770 R C 0.558 176.356 176.300 -0.837 0.000 1.080 770 R CA 0.890 56.632 56.100 -0.596 0.000 0.995 770 R CB 0.071 29.811 30.300 -0.933 0.000 0.875 770 R HN 0.404 nan 8.270 nan 0.000 0.462 771 F N 0.266 120.173 119.950 -0.073 0.000 2.654 771 F HA 0.284 4.803 4.527 -0.014 0.000 0.303 771 F C 0.040 175.718 175.800 -0.202 0.000 1.099 771 F CA -0.745 57.198 58.000 -0.095 0.000 1.270 771 F CB 0.246 39.248 39.000 0.003 0.000 1.024 771 F HN -0.246 nan 8.300 nan 0.000 0.548 772 K N -0.414 119.798 120.400 -0.313 0.000 3.148 772 K HA -0.184 4.128 4.320 -0.014 0.000 0.267 772 K C 1.032 177.508 176.600 -0.206 0.000 0.996 772 K CA 0.229 56.145 56.287 -0.619 0.000 0.737 772 K CB -1.896 30.177 32.500 -0.713 0.000 1.308 772 K HN 0.220 nan 8.250 nan 0.000 0.470 773 V N 0.031 119.905 119.914 -0.066 0.000 2.252 773 V HA -0.312 3.800 4.120 -0.014 0.000 0.249 773 V C 1.973 178.197 176.094 0.217 0.000 1.056 773 V CA 2.439 64.775 62.300 0.060 0.000 1.022 773 V CB -0.520 31.336 31.823 0.054 0.000 0.641 773 V HN 0.485 nan 8.190 nan 0.000 0.445 774 F N 0.193 120.149 119.950 0.010 0.000 2.171 774 F HA -0.210 4.308 4.527 -0.014 0.000 0.300 774 F C 2.550 178.153 175.800 -0.328 0.000 1.090 774 F CA 0.695 58.645 58.000 -0.083 0.000 1.293 774 F CB -0.422 38.539 39.000 -0.065 0.000 1.013 774 F HN 0.208 nan 8.300 nan 0.000 0.486 775 A N -0.435 122.220 122.820 -0.275 0.000 2.024 775 A HA -0.208 4.104 4.320 -0.014 0.000 0.220 775 A C 1.473 179.051 177.584 -0.011 0.000 1.164 775 A CA 1.948 53.738 52.037 -0.412 0.000 0.643 775 A CB -0.485 18.405 19.000 -0.185 0.000 0.806 775 A HN 0.241 nan 8.150 nan 0.000 0.451 776 D N -2.802 117.652 120.400 0.091 0.000 2.369 776 D HA 0.092 4.724 4.640 -0.014 0.000 0.211 776 D C 1.138 177.605 176.300 0.278 0.000 1.077 776 D CA -0.022 54.107 54.000 0.214 0.000 0.842 776 D CB -0.094 40.847 40.800 0.234 0.000 0.947 776 D HN 0.611 nan 8.370 nan 0.000 0.509 777 Y N 1.992 122.376 120.300 0.141 0.000 2.114 777 Y HA -0.185 4.357 4.550 -0.014 0.000 0.284 777 Y C 2.066 178.052 175.900 0.142 0.000 1.143 777 Y CA 1.798 59.991 58.100 0.155 0.000 1.135 777 Y CB 0.201 38.727 38.460 0.110 0.000 0.980 777 Y HN -0.116 nan 8.280 nan 0.000 0.499 778 E N 0.048 120.308 120.200 0.101 0.000 2.051 778 E HA -0.241 4.100 4.350 -0.014 0.000 0.192 778 E C 2.172 178.737 176.600 -0.059 0.000 0.991 778 E CA 1.548 57.934 56.400 -0.024 0.000 0.799 778 E CB -0.179 29.609 29.700 0.145 0.000 0.748 778 E HN 0.629 nan 8.360 nan 0.000 0.449 779 E N -0.159 120.085 120.200 0.073 0.000 2.110 779 E HA -0.208 4.134 4.350 -0.014 0.000 0.193 779 E C 1.935 178.531 176.600 -0.006 0.000 0.988 779 E CA 0.842 57.308 56.400 0.110 0.000 0.804 779 E CB -0.135 29.721 29.700 0.260 0.000 0.745 779 E HN 0.268 nan 8.360 nan 0.000 0.458 780 Y N 1.256 121.373 120.300 -0.306 0.000 2.133 780 Y HA -0.220 4.322 4.550 -0.014 0.000 0.287 780 Y C 2.163 177.670 175.900 -0.654 0.000 1.134 780 Y CA 1.010 58.612 58.100 -0.830 0.000 1.133 780 Y CB -0.536 37.472 38.460 -0.754 0.000 0.987 780 Y HN -0.211 nan 8.280 nan 0.000 0.502 781 V N 0.680 120.229 119.914 -0.609 0.000 2.287 781 V HA -0.344 3.767 4.120 -0.014 0.000 0.248 781 V C 2.305 178.157 176.094 -0.404 0.000 1.053 781 V CA 2.443 64.391 62.300 -0.586 0.000 1.027 781 V CB -0.651 30.859 31.823 -0.522 0.000 0.646 781 V HN 0.307 nan 8.190 nan 0.000 0.447 782 K N -0.890 119.345 120.400 -0.274 0.000 2.057 782 K HA -0.210 4.101 4.320 -0.014 0.000 0.207 782 K C 2.288 178.792 176.600 -0.160 0.000 1.049 782 K CA 1.764 57.956 56.287 -0.158 0.000 0.931 782 K CB -0.634 31.824 32.500 -0.071 0.000 0.714 782 K HN 0.539 nan 8.250 nan 0.000 0.440 783 C N 1.254 120.433 119.300 -0.202 0.000 2.425 783 C HA -0.089 4.362 4.460 -0.014 0.000 0.277 783 C C 2.568 177.367 174.990 -0.318 0.000 1.280 783 C CA 0.768 59.693 59.018 -0.155 0.000 1.744 783 C CB -0.644 27.030 27.740 -0.110 0.000 1.989 783 C HN 0.435 nan 8.230 nan 0.000 0.491 784 Q N 0.448 119.917 119.800 -0.551 0.000 2.170 784 Q HA -0.160 4.171 4.340 -0.014 0.000 0.203 784 Q C 1.977 177.769 176.000 -0.346 0.000 0.976 784 Q CA 1.543 56.977 55.803 -0.615 0.000 0.858 784 Q CB -0.382 27.724 28.738 -1.053 0.000 0.907 784 Q HN 0.759 nan 8.270 nan 0.000 0.433 785 E N 0.156 120.212 120.200 -0.239 0.000 2.106 785 E HA -0.128 4.213 4.350 -0.014 0.000 0.192 785 E C 2.062 178.618 176.600 -0.074 0.000 0.984 785 E CA 0.549 56.876 56.400 -0.122 0.000 0.806 785 E CB 0.026 29.675 29.700 -0.084 0.000 0.750 785 E HN 0.262 nan 8.360 nan 0.000 0.458 786 R N 0.400 120.862 120.500 -0.063 0.000 2.115 786 R HA -0.070 4.261 4.340 -0.014 0.000 0.230 786 R C 2.415 178.732 176.300 0.028 0.000 1.111 786 R CA 0.829 56.964 56.100 0.057 0.000 0.976 786 R CB -0.326 30.083 30.300 0.181 0.000 0.870 786 R HN 0.064 nan 8.270 nan 0.000 0.445 787 V N 0.819 120.538 119.914 -0.324 0.000 2.261 787 V HA -0.260 3.852 4.120 -0.014 0.000 0.246 787 V C 2.223 178.305 176.094 -0.019 0.000 1.047 787 V CA 2.049 64.064 62.300 -0.474 0.000 1.015 787 V CB -0.428 30.984 31.823 -0.685 0.000 0.642 787 V HN 0.288 nan 8.190 nan 0.000 0.446 788 S N 0.051 115.708 115.700 -0.072 0.000 2.370 788 S HA -0.188 4.274 4.470 -0.014 0.000 0.226 788 S C 2.209 176.870 174.600 0.102 0.000 1.033 788 S CA 1.412 59.605 58.200 -0.011 0.000 1.011 788 S CB -0.532 62.634 63.200 -0.056 0.000 0.852 788 S HN 0.659 nan 8.310 nan 0.000 0.457 789 A N 1.514 124.397 122.820 0.104 0.000 1.883 789 A HA -0.032 4.280 4.320 -0.014 0.000 0.217 789 A C 2.107 179.812 177.584 0.202 0.000 1.186 789 A CA 1.178 53.298 52.037 0.138 0.000 0.624 789 A CB -0.790 18.280 19.000 0.117 0.000 0.822 789 A HN 0.455 nan 8.150 nan 0.000 0.444 790 L N -2.038 119.366 121.223 0.302 0.000 2.093 790 L HA -0.165 4.166 4.340 -0.014 0.000 0.208 790 L C 2.473 179.625 176.870 0.470 0.000 1.085 790 L CA 1.876 56.967 54.840 0.420 0.000 0.755 790 L CB -0.433 41.988 42.059 0.603 0.000 0.904 790 L HN 0.617 nan 8.230 nan 0.000 0.435 791 Y N 0.871 121.319 120.300 0.246 0.000 2.352 791 Y HA -0.242 4.301 4.550 -0.013 0.000 0.292 791 Y C 2.421 178.269 175.900 -0.088 0.000 1.136 791 Y CA 1.485 59.489 58.100 -0.161 0.000 1.227 791 Y CB -0.018 38.117 38.460 -0.541 0.000 0.991 791 Y HN 0.064 nan 8.280 nan 0.000 0.545 792 K N -0.107 120.353 120.400 0.100 0.000 2.360 792 K HA -0.149 4.162 4.320 -0.014 0.000 0.201 792 K C 0.380 176.975 176.600 -0.009 0.000 1.046 792 K CA 0.835 57.157 56.287 0.058 0.000 0.945 792 K CB -0.104 32.465 32.500 0.115 0.000 0.750 792 K HN 0.054 nan 8.250 nan 0.000 0.464 793 N N 0.442 119.152 118.700 0.016 0.000 2.936 793 N HA 0.129 4.861 4.740 -0.014 0.000 0.243 793 N C -2.406 173.108 175.510 0.006 0.000 1.149 793 N CA -2.267 50.794 53.050 0.018 0.000 0.914 793 N CB 1.129 39.656 38.487 0.066 0.000 1.179 793 N HN -0.187 nan 8.380 nan 0.000 0.502 794 P HA -0.187 nan 4.420 nan 0.000 0.216 794 P C 1.383 178.691 177.300 0.014 0.000 1.154 794 P CA 1.123 64.148 63.100 -0.125 0.000 0.865 794 P CB 0.407 32.013 31.700 -0.157 0.000 0.789 795 R N -0.074 120.436 120.500 0.016 0.000 2.081 795 R HA -0.141 4.191 4.340 -0.014 0.000 0.235 795 R C 1.983 178.323 176.300 0.067 0.000 1.131 795 R CA 1.341 57.462 56.100 0.035 0.000 0.960 795 R CB -0.315 29.997 30.300 0.020 0.000 0.856 795 R HN 0.086 nan 8.270 nan 0.000 0.436 796 E N -0.079 120.171 120.200 0.084 0.000 2.107 796 E HA -0.209 4.133 4.350 -0.014 0.000 0.191 796 E C 1.579 178.253 176.600 0.123 0.000 0.982 796 E CA 0.565 57.018 56.400 0.088 0.000 0.809 796 E CB -0.429 29.322 29.700 0.085 0.000 0.756 796 E HN 0.490 nan 8.360 nan 0.000 0.459 797 W N 2.165 123.463 121.300 -0.004 0.000 2.317 797 W HA -0.222 4.428 4.660 -0.015 0.000 0.318 797 W C 1.690 178.213 176.519 0.007 0.000 1.227 797 W CA 2.259 59.614 57.345 0.016 0.000 1.269 797 W CB -0.484 28.949 29.460 -0.044 0.000 1.155 797 W HN 0.044 nan 8.180 nan 0.000 0.484 798 T N 1.079 115.765 114.554 0.221 0.000 2.788 798 T HA -0.175 4.167 4.350 -0.014 0.000 0.268 798 T C 1.842 176.551 174.700 0.015 0.000 1.044 798 T CA 1.765 63.928 62.100 0.105 0.000 1.139 798 T CB -0.311 68.604 68.868 0.079 0.000 0.867 798 T HN 0.179 nan 8.240 nan 0.000 0.454 799 R N 0.447 120.961 120.500 0.024 0.000 2.096 799 R HA 0.070 4.401 4.340 -0.014 0.000 0.235 799 R C 2.507 178.795 176.300 -0.020 0.000 1.127 799 R CA 1.241 57.353 56.100 0.021 0.000 0.968 799 R CB -0.336 29.982 30.300 0.030 0.000 0.861 799 R HN 0.366 nan 8.270 nan 0.000 0.440 800 M N 0.455 120.005 119.600 -0.082 0.000 2.175 800 M HA -0.143 4.329 4.480 -0.014 0.000 0.264 800 M C 1.958 178.162 176.300 -0.159 0.000 1.063 800 M CA 1.381 56.593 55.300 -0.145 0.000 1.119 800 M CB 0.153 32.607 32.600 -0.242 0.000 1.377 800 M HN -0.007 nan 8.290 nan 0.000 0.415 801 V N 1.068 120.864 119.914 -0.197 0.000 2.252 801 V HA -0.336 3.775 4.120 -0.014 0.000 0.249 801 V C 2.219 178.295 176.094 -0.031 0.000 1.056 801 V CA 2.215 64.437 62.300 -0.130 0.000 1.022 801 V CB -0.668 31.102 31.823 -0.089 0.000 0.641 801 V HN 0.511 nan 8.190 nan 0.000 0.445 802 I N -0.510 120.064 120.570 0.006 0.000 2.208 802 I HA -0.296 3.866 4.170 -0.014 0.000 0.245 802 I C 2.689 178.854 176.117 0.080 0.000 1.097 802 I CA 1.712 63.064 61.300 0.088 0.000 1.363 802 I CB -0.446 37.659 38.000 0.175 0.000 1.051 802 I HN 0.229 nan 8.210 nan 0.000 0.413 803 R N 0.415 120.938 120.500 0.040 0.000 2.120 803 R HA -0.117 4.215 4.340 -0.014 0.000 0.234 803 R C 2.045 178.372 176.300 0.045 0.000 1.123 803 R CA 1.222 57.343 56.100 0.035 0.000 0.975 803 R CB -0.443 29.861 30.300 0.008 0.000 0.866 803 R HN 0.535 nan 8.270 nan 0.000 0.446 804 N N 0.643 119.363 118.700 0.033 0.000 2.109 804 N HA -0.078 4.654 4.740 -0.014 0.000 0.188 804 N C 1.952 177.515 175.510 0.088 0.000 1.034 804 N CA 1.110 54.200 53.050 0.065 0.000 0.846 804 N CB -0.026 38.477 38.487 0.026 0.000 1.010 804 N HN 0.122 nan 8.380 nan 0.000 0.425 805 I N 1.665 122.278 120.570 0.072 0.000 2.208 805 I HA -0.248 3.913 4.170 -0.014 0.000 0.245 805 I C 2.462 178.626 176.117 0.079 0.000 1.097 805 I CA 0.960 62.308 61.300 0.080 0.000 1.363 805 I CB -0.337 37.706 38.000 0.071 0.000 1.051 805 I HN 0.096 nan 8.210 nan 0.000 0.413 806 A N 0.305 123.170 122.820 0.076 0.000 2.070 806 A HA -0.166 4.146 4.320 -0.014 0.000 0.220 806 A C 2.099 179.717 177.584 0.057 0.000 1.159 806 A CA 2.065 54.137 52.037 0.058 0.000 0.656 806 A CB -0.861 18.176 19.000 0.062 0.000 0.800 806 A HN 0.544 nan 8.150 nan 0.000 0.453 807 T N -2.958 111.644 114.554 0.081 0.000 3.174 807 T HA 0.176 4.517 4.350 -0.014 0.000 0.269 807 T C 1.214 176.004 174.700 0.150 0.000 1.017 807 T CA 0.653 62.805 62.100 0.088 0.000 0.899 807 T CB -0.164 68.755 68.868 0.085 0.000 1.077 807 T HN 0.486 nan 8.240 nan 0.000 0.552 808 S N 0.294 116.099 115.700 0.175 0.000 2.562 808 S HA 0.217 4.679 4.470 -0.014 0.000 0.221 808 S C 2.253 176.987 174.600 0.224 0.000 0.975 808 S CA 0.353 58.729 58.200 0.293 0.000 0.918 808 S CB -0.761 62.578 63.200 0.232 0.000 0.772 808 S HN 0.532 nan 8.310 nan 0.000 0.531 809 G N 2.722 111.577 108.800 0.091 0.000 2.505 809 G HA2 -0.335 3.617 3.960 -0.014 0.000 0.220 809 G HA3 -0.335 3.617 3.960 -0.014 0.000 0.220 809 G C 1.323 176.179 174.900 -0.073 0.000 1.145 809 G CA 1.159 46.276 45.100 0.029 0.000 0.761 809 G HN 0.609 nan 8.290 nan 0.000 0.571 810 K N -0.202 120.039 120.400 -0.265 0.000 2.218 810 K HA -0.065 4.247 4.320 -0.014 0.000 0.205 810 K C 1.399 177.677 176.600 -0.537 0.000 1.046 810 K CA 0.926 56.907 56.287 -0.511 0.000 0.933 810 K CB -0.274 31.721 32.500 -0.843 0.000 0.728 810 K HN 0.438 nan 8.250 nan 0.000 0.454 811 F N 0.639 120.620 119.950 0.052 0.000 2.692 811 F HA 0.130 4.649 4.527 -0.015 0.000 0.303 811 F C 0.824 176.670 175.800 0.078 0.000 1.114 811 F CA -0.596 57.441 58.000 0.062 0.000 1.361 811 F CB 0.465 39.499 39.000 0.056 0.000 1.063 811 F HN -0.127 nan 8.300 nan 0.000 0.550 812 S N 0.398 116.186 115.700 0.147 0.000 2.531 812 S HA 0.041 4.503 4.470 -0.014 0.000 0.279 812 S C 1.473 176.157 174.600 0.139 0.000 1.305 812 S CA -0.140 58.141 58.200 0.134 0.000 1.058 812 S CB 0.748 63.996 63.200 0.080 0.000 0.899 812 S HN 0.367 nan 8.310 nan 0.000 0.493 813 S N 3.419 119.227 115.700 0.180 0.000 2.474 813 S HA -0.095 4.367 4.470 -0.014 0.000 0.235 813 S C 1.006 175.663 174.600 0.095 0.000 0.997 813 S CA 0.806 59.132 58.200 0.209 0.000 0.949 813 S CB -0.360 63.040 63.200 0.334 0.000 0.766 813 S HN 0.796 nan 8.310 nan 0.000 0.517 814 D N 1.904 122.345 120.400 0.067 0.000 2.117 814 D HA -0.099 4.533 4.640 -0.014 0.000 0.197 814 D C 2.103 178.410 176.300 0.011 0.000 0.987 814 D CA 0.853 54.870 54.000 0.028 0.000 0.829 814 D CB -0.337 40.476 40.800 0.022 0.000 0.961 814 D HN 0.300 nan 8.370 nan 0.000 0.460 815 R N 0.804 121.313 120.500 0.014 0.000 2.066 815 R HA -0.086 4.246 4.340 -0.014 0.000 0.232 815 R C 1.925 178.219 176.300 -0.010 0.000 1.131 815 R CA 1.398 57.492 56.100 -0.010 0.000 0.955 815 R CB -0.810 29.470 30.300 -0.032 0.000 0.851 815 R HN 0.122 nan 8.270 nan 0.000 0.432 816 T N 2.267 116.839 114.554 0.029 0.000 2.635 816 T HA -0.137 4.205 4.350 -0.014 0.000 0.267 816 T C 1.931 176.638 174.700 0.011 0.000 1.040 816 T CA 1.464 63.599 62.100 0.059 0.000 1.156 816 T CB -0.141 68.840 68.868 0.189 0.000 0.863 816 T HN 0.107 nan 8.240 nan 0.000 0.430 817 I N 1.635 122.139 120.570 -0.110 0.000 2.286 817 I HA -0.091 4.070 4.170 -0.014 0.000 0.248 817 I C 2.926 179.003 176.117 -0.068 0.000 1.115 817 I CA 0.972 62.172 61.300 -0.167 0.000 1.392 817 I CB -1.623 36.271 38.000 -0.178 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.150 122.947 122.820 -0.038 0.000 1.978 818 A HA -0.240 4.071 4.320 -0.014 0.000 0.220 818 A C 2.249 179.790 177.584 -0.071 0.000 1.170 818 A CA 1.485 53.505 52.037 -0.028 0.000 0.636 818 A CB -0.528 18.461 19.000 -0.018 0.000 0.810 818 A HN 0.523 nan 8.150 nan 0.000 0.448 819 Q N -1.903 117.836 119.800 -0.102 0.000 2.083 819 Q HA -0.141 4.190 4.340 -0.014 0.000 0.198 819 Q C 1.924 177.748 176.000 -0.294 0.000 0.969 819 Q CA 1.520 57.221 55.803 -0.170 0.000 0.838 819 Q CB -0.301 28.329 28.738 -0.179 0.000 0.900 819 Q HN 0.817 nan 8.270 nan 0.000 0.436 820 Y N 0.723 120.731 120.300 -0.486 0.000 2.114 820 Y HA -0.310 4.231 4.550 -0.014 0.000 0.282 820 Y C 2.483 177.792 175.900 -0.985 0.000 1.165 820 Y CA 1.296 58.849 58.100 -0.912 0.000 1.148 820 Y CB -0.443 37.163 38.460 -1.424 0.000 0.972 820 Y HN 0.170 nan 8.280 nan 0.000 0.504 821 A N 0.266 122.838 122.820 -0.412 0.000 1.865 821 A HA -0.232 4.080 4.320 -0.014 0.000 0.217 821 A C 2.236 179.824 177.584 0.006 0.000 1.191 821 A CA 2.102 54.144 52.037 0.009 0.000 0.623 821 A CB -0.576 18.512 19.000 0.146 0.000 0.826 821 A HN 0.436 nan 8.150 nan 0.000 0.444 822 R N -0.725 119.742 120.500 -0.055 0.000 2.075 822 R HA -0.020 4.312 4.340 -0.014 0.000 0.226 822 R C 1.851 178.123 176.300 -0.046 0.000 1.114 822 R CA 1.467 57.549 56.100 -0.029 0.000 0.972 822 R CB -0.162 30.117 30.300 -0.034 0.000 0.869 822 R HN 0.663 nan 8.270 nan 0.000 0.437 823 E N -0.515 119.616 120.200 -0.114 0.000 2.415 823 E HA 0.092 4.433 4.350 -0.014 0.000 0.197 823 E C 1.420 177.967 176.600 -0.087 0.000 1.007 823 E CA 0.435 56.774 56.400 -0.102 0.000 0.890 823 E CB 0.549 30.163 29.700 -0.143 0.000 0.891 823 E HN 0.295 nan 8.360 nan 0.000 0.496 824 I N -1.029 119.450 120.570 -0.153 0.000 3.570 824 I HA 0.022 4.183 4.170 -0.014 0.000 0.270 824 I C 1.348 177.592 176.117 0.211 0.000 1.162 824 I CA -0.055 61.218 61.300 -0.046 0.000 1.413 824 I CB 0.226 38.067 38.000 -0.264 0.000 1.437 824 I HN 0.111 nan 8.210 nan 0.000 0.457 825 W N 1.524 122.917 121.300 0.154 0.000 2.658 825 W HA 0.318 4.969 4.660 -0.014 0.000 0.263 825 W C 1.468 178.025 176.519 0.064 0.000 1.274 825 W CA 0.809 58.228 57.345 0.123 0.000 1.343 825 W CB -1.109 28.411 29.460 0.100 0.000 1.106 825 W HN 0.320 nan 8.180 nan 0.000 0.615 826 G N 1.245 110.182 108.800 0.228 0.000 2.256 826 G HA2 -0.103 3.849 3.960 -0.014 0.000 0.272 826 G HA3 -0.103 3.849 3.960 -0.014 0.000 0.272 826 G C -0.327 174.646 174.900 0.121 0.000 1.076 826 G CA 0.249 45.426 45.100 0.128 0.000 0.882 826 G HN 0.413 nan 8.290 nan 0.000 0.497 827 V N -4.240 115.765 119.914 0.150 0.000 2.962 827 V HA 0.899 5.011 4.120 -0.014 0.000 0.313 827 V C -0.314 175.838 176.094 0.097 0.000 1.099 827 V CA -1.729 60.641 62.300 0.115 0.000 0.971 827 V CB 2.331 34.230 31.823 0.126 0.000 1.028 827 V HN 0.128 nan 8.190 nan 0.000 0.430 828 E N 3.852 124.092 120.200 0.067 0.000 2.200 828 E HA 0.511 4.853 4.350 -0.014 0.000 0.283 828 E C -2.414 174.222 176.600 0.060 0.000 1.015 828 E CA -1.734 54.699 56.400 0.055 0.000 0.819 828 E CB 1.647 31.372 29.700 0.041 0.000 1.081 828 E HN 0.735 nan 8.360 nan 0.000 0.397 829 P HA 0.090 nan 4.420 nan 0.000 0.272 829 P C -0.530 176.800 177.300 0.049 0.000 1.240 829 P CA -0.336 62.798 63.100 0.057 0.000 0.791 829 P CB 0.809 32.538 31.700 0.049 0.000 0.978 830 S N 0.363 116.094 115.700 0.052 0.000 2.614 830 S HA 0.290 4.751 4.470 -0.014 0.000 0.275 830 S C 0.473 175.099 174.600 0.044 0.000 1.161 830 S CA -0.718 57.511 58.200 0.048 0.000 0.969 830 S CB 0.835 64.070 63.200 0.059 0.000 1.059 830 S HN 0.248 nan 8.310 nan 0.000 0.482 831 R N 2.357 122.879 120.500 0.036 0.000 2.310 831 R HA 0.161 4.493 4.340 -0.014 0.000 0.202 831 R C 0.033 176.348 176.300 0.025 0.000 0.933 831 R CA 0.157 56.277 56.100 0.034 0.000 1.054 831 R CB 0.026 30.345 30.300 0.032 0.000 0.985 831 R HN 0.688 nan 8.270 nan 0.000 0.489 832 Q N 0.901 120.715 119.800 0.023 0.000 2.332 832 Q HA 0.111 4.443 4.340 -0.014 0.000 0.263 832 Q C -0.283 175.716 176.000 -0.002 0.000 0.979 832 Q CA 0.053 55.863 55.803 0.012 0.000 0.885 832 Q CB 0.785 29.532 28.738 0.015 0.000 1.218 832 Q HN -0.201 nan 8.270 nan 0.000 0.405 833 R N 1.465 121.955 120.500 -0.016 0.000 2.590 833 R HA 0.174 4.505 4.340 -0.014 0.000 0.274 833 R C -0.437 175.829 176.300 -0.056 0.000 1.061 833 R CA 0.080 56.158 56.100 -0.035 0.000 1.081 833 R CB 0.323 30.600 30.300 -0.038 0.000 0.984 833 R HN 0.494 nan 8.270 nan 0.000 0.448 834 L N 5.421 126.596 121.223 -0.081 0.000 2.418 834 L HA 0.375 4.707 4.340 -0.014 0.000 0.265 834 L C -1.674 175.142 176.870 -0.090 0.000 1.143 834 L CA -2.007 52.757 54.840 -0.127 0.000 0.809 834 L CB 0.998 42.951 42.059 -0.177 0.000 1.124 834 L HN 0.471 nan 8.230 nan 0.000 0.456 835 P HA 0.126 nan 4.420 nan 0.000 0.271 835 P C -0.807 176.466 177.300 -0.045 0.000 1.216 835 P CA -0.289 62.778 63.100 -0.055 0.000 0.776 835 P CB 1.023 32.694 31.700 -0.047 0.000 0.881 836 A N 0.000 122.801 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 836 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486