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 3g2h_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 XXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.701 28.738 -0.061 0.000 1.108 13 I N -2.143 118.415 120.570 -0.020 0.000 2.562 13 I HA 0.579 4.741 4.170 -0.014 0.000 0.301 13 I C 0.810 176.927 176.117 -0.000 0.000 1.003 13 I CA -0.562 60.734 61.300 -0.006 0.000 1.127 13 I CB 1.968 39.969 38.000 0.001 0.000 1.304 13 I HN 0.676 nan 8.210 nan 0.000 0.446 14 S N 3.128 118.834 115.700 0.009 0.000 2.365 14 S HA -0.169 4.292 4.470 -0.014 0.000 0.225 14 S C 1.782 176.391 174.600 0.016 0.000 1.039 14 S CA 2.222 60.429 58.200 0.012 0.000 1.033 14 S CB -0.539 62.673 63.200 0.021 0.000 0.887 14 S HN 0.773 nan 8.310 nan 0.000 0.447 15 V N -0.031 119.900 119.914 0.028 0.000 2.867 15 V HA 0.075 4.186 4.120 -0.014 0.000 0.260 15 V C 2.021 178.129 176.094 0.023 0.000 1.099 15 V CA 1.524 63.844 62.300 0.033 0.000 1.122 15 V CB -0.993 30.857 31.823 0.045 0.000 0.708 15 V HN 0.376 nan 8.190 nan 0.000 0.490 16 R N 1.266 121.772 120.500 0.009 0.000 2.313 16 R HA 0.402 4.733 4.340 -0.014 0.000 0.199 16 R C 1.165 177.456 176.300 -0.015 0.000 0.958 16 R CA 0.578 56.677 56.100 -0.003 0.000 1.047 16 R CB -0.193 30.102 30.300 -0.009 0.000 0.955 16 R HN 0.790 nan 8.270 nan 0.000 0.481 17 G N 0.573 109.364 108.800 -0.015 0.000 2.728 17 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.294 17 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.294 17 G C -0.943 173.940 174.900 -0.027 0.000 1.342 17 G CA -1.063 44.020 45.100 -0.029 0.000 0.866 17 G HN -0.014 nan 8.290 nan 0.000 0.534 18 L N 0.599 121.803 121.223 -0.032 0.000 2.326 18 L HA 0.633 4.964 4.340 -0.014 0.000 0.278 18 L C 1.276 178.130 176.870 -0.026 0.000 1.092 18 L CA 0.469 55.294 54.840 -0.026 0.000 0.810 18 L CB 1.039 43.084 42.059 -0.024 0.000 1.153 18 L HN 1.470 nan 8.230 nan 0.000 0.439 19 A N 3.121 125.930 122.820 -0.019 0.000 3.095 19 A HA 0.547 4.859 4.320 -0.014 0.000 0.301 19 A C 0.749 178.328 177.584 -0.007 0.000 1.432 19 A CA -0.359 51.669 52.037 -0.015 0.000 1.140 19 A CB -0.466 18.525 19.000 -0.014 0.000 1.174 19 A HN 0.790 nan 8.150 nan 0.000 0.546 20 G N -0.147 108.649 108.800 -0.007 0.000 2.406 20 G HA2 0.327 4.278 3.960 -0.014 0.000 0.251 20 G HA3 0.327 4.278 3.960 -0.014 0.000 0.251 20 G C 1.082 175.985 174.900 0.006 0.000 1.271 20 G CA 0.249 45.348 45.100 -0.001 0.000 0.859 20 G HN 0.800 nan 8.290 nan 0.000 0.540 21 V N 2.143 122.061 119.914 0.008 0.000 2.370 21 V HA -0.226 3.886 4.120 -0.014 0.000 0.252 21 V C 2.551 178.655 176.094 0.016 0.000 1.068 21 V CA 3.027 65.334 62.300 0.012 0.000 1.061 21 V CB -0.315 31.514 31.823 0.010 0.000 0.656 21 V HN 0.922 nan 8.190 nan 0.000 0.455 22 E N 0.144 120.353 120.200 0.016 0.000 2.031 22 E HA -0.214 4.128 4.350 -0.014 0.000 0.193 22 E C 1.970 178.589 176.600 0.033 0.000 0.994 22 E CA 2.090 58.504 56.400 0.022 0.000 0.800 22 E CB -0.275 29.437 29.700 0.020 0.000 0.752 22 E HN 0.744 nan 8.360 nan 0.000 0.447 23 N N -0.874 117.844 118.700 0.031 0.000 2.142 23 N HA -0.127 4.605 4.740 -0.014 0.000 0.186 23 N C 1.634 177.170 175.510 0.045 0.000 1.023 23 N CA 1.230 54.305 53.050 0.041 0.000 0.852 23 N CB -0.021 38.475 38.487 0.015 0.000 0.998 23 N HN -0.009 nan 8.380 nan 0.000 0.424 24 V N 0.251 120.182 119.914 0.028 0.000 2.287 24 V HA -0.257 3.854 4.120 -0.014 0.000 0.248 24 V C 2.056 178.172 176.094 0.036 0.000 1.053 24 V CA 1.921 64.238 62.300 0.027 0.000 1.027 24 V CB -0.950 30.884 31.823 0.019 0.000 0.646 24 V HN 0.413 nan 8.190 nan 0.000 0.447 25 T N -0.716 113.859 114.554 0.035 0.000 2.684 25 T HA -0.235 4.106 4.350 -0.014 0.000 0.267 25 T C 1.935 176.668 174.700 0.055 0.000 1.036 25 T CA 1.855 63.977 62.100 0.036 0.000 1.148 25 T CB -0.222 68.663 68.868 0.028 0.000 0.863 25 T HN 0.424 nan 8.240 nan 0.000 0.436 26 E N 0.682 120.923 120.200 0.068 0.000 2.106 26 E HA 0.038 4.380 4.350 -0.014 0.000 0.192 26 E C 2.076 178.754 176.600 0.131 0.000 0.984 26 E CA 0.638 57.091 56.400 0.089 0.000 0.806 26 E CB -0.416 29.341 29.700 0.095 0.000 0.750 26 E HN 0.422 nan 8.360 nan 0.000 0.458 27 L N 0.163 121.473 121.223 0.145 0.000 2.046 27 L HA -0.205 4.127 4.340 -0.014 0.000 0.208 27 L C 2.304 179.287 176.870 0.189 0.000 1.077 27 L CA 1.384 56.336 54.840 0.187 0.000 0.747 27 L CB -0.305 41.838 42.059 0.139 0.000 0.896 27 L HN 0.065 nan 8.230 nan 0.000 0.432 28 K N 0.442 120.910 120.400 0.113 0.000 2.063 28 K HA -0.217 4.094 4.320 -0.014 0.000 0.208 28 K C 2.135 178.836 176.600 0.168 0.000 1.048 28 K CA 1.817 58.159 56.287 0.092 0.000 0.928 28 K CB -0.108 32.407 32.500 0.024 0.000 0.713 28 K HN 0.381 nan 8.250 nan 0.000 0.442 29 K N 0.237 120.716 120.400 0.132 0.000 2.103 29 K HA -0.043 4.268 4.320 -0.014 0.000 0.204 29 K C 1.529 178.212 176.600 0.140 0.000 1.052 29 K CA 1.277 57.636 56.287 0.120 0.000 0.945 29 K CB -0.098 32.446 32.500 0.073 0.000 0.722 29 K HN 0.008 nan 8.250 nan 0.000 0.443 30 N N 0.430 119.221 118.700 0.153 0.000 2.331 30 N HA -0.099 4.632 4.740 -0.014 0.000 0.180 30 N C 1.564 177.217 175.510 0.239 0.000 1.019 30 N CA 0.826 53.952 53.050 0.126 0.000 0.881 30 N CB -0.223 38.346 38.487 0.137 0.000 0.972 30 N HN 0.209 nan 8.380 nan 0.000 0.435 31 F N 2.617 122.669 119.950 0.170 0.000 2.075 31 F HA -0.104 4.415 4.527 -0.014 0.000 0.297 31 F C 2.017 177.927 175.800 0.183 0.000 1.113 31 F CA 1.312 59.431 58.000 0.199 0.000 1.218 31 F CB -0.154 38.934 39.000 0.145 0.000 0.984 31 F HN -0.039 nan 8.300 nan 0.000 0.472 32 N N 0.462 119.401 118.700 0.397 0.000 2.244 32 N HA -0.183 4.548 4.740 -0.014 0.000 0.183 32 N C 2.007 177.610 175.510 0.154 0.000 1.016 32 N CA 1.123 54.328 53.050 0.258 0.000 0.866 32 N CB -0.543 38.074 38.487 0.217 0.000 0.980 32 N HN 0.382 nan 8.380 nan 0.000 0.430 33 R N 0.331 120.916 120.500 0.143 0.000 2.073 33 R HA -0.100 4.231 4.340 -0.014 0.000 0.234 33 R C 1.811 178.208 176.300 0.161 0.000 1.134 33 R CA 1.489 57.702 56.100 0.190 0.000 0.952 33 R CB -0.220 30.103 30.300 0.038 0.000 0.850 33 R HN 0.376 nan 8.270 nan 0.000 0.433 34 H N -0.364 118.755 119.070 0.081 0.000 2.357 34 H HA -0.123 4.424 4.556 -0.015 0.000 0.301 34 H C 1.909 177.178 175.328 -0.099 0.000 1.082 34 H CA 1.433 57.459 56.048 -0.037 0.000 1.342 34 H CB 0.052 29.753 29.762 -0.103 0.000 1.389 34 H HN 0.129 nan 8.280 nan 0.000 0.511 35 L N -0.001 121.213 121.223 -0.015 0.000 2.079 35 L HA -0.211 4.120 4.340 -0.014 0.000 0.210 35 L C 2.201 179.055 176.870 -0.027 0.000 1.081 35 L CA 1.894 56.696 54.840 -0.064 0.000 0.752 35 L CB -0.399 41.636 42.059 -0.041 0.000 0.896 35 L HN 0.315 nan 8.230 nan 0.000 0.433 36 H N -1.874 117.127 119.070 -0.115 0.000 2.287 36 H HA -0.037 4.511 4.556 -0.015 0.000 0.309 36 H C 1.804 176.943 175.328 -0.315 0.000 1.059 36 H CA 2.147 58.033 56.048 -0.271 0.000 1.357 36 H CB -0.274 29.228 29.762 -0.434 0.000 1.409 36 H HN 0.277 nan 8.280 nan 0.000 0.515 37 F N -0.371 119.559 119.950 -0.033 0.000 2.234 37 F HA -0.018 4.500 4.527 -0.015 0.000 0.296 37 F C 2.571 178.294 175.800 -0.129 0.000 1.089 37 F CA 1.388 59.326 58.000 -0.103 0.000 1.343 37 F CB -0.362 38.617 39.000 -0.036 0.000 1.040 37 F HN 0.179 nan 8.300 nan 0.000 0.498 38 T N -0.032 114.555 114.554 0.055 0.000 2.901 38 T HA 0.069 4.410 4.350 -0.014 0.000 0.252 38 T C 1.962 176.565 174.700 -0.162 0.000 1.035 38 T CA 0.859 62.912 62.100 -0.078 0.000 1.142 38 T CB -0.278 68.505 68.868 -0.142 0.000 0.869 38 T HN 0.109 nan 8.240 nan 0.000 0.442 39 L N 1.154 122.285 121.223 -0.153 0.000 2.477 39 L HA 0.203 4.534 4.340 -0.014 0.000 0.220 39 L C 0.377 177.152 176.870 -0.159 0.000 1.106 39 L CA -0.072 54.668 54.840 -0.167 0.000 0.851 39 L CB -0.045 41.925 42.059 -0.148 0.000 0.994 39 L HN -0.012 nan 8.230 nan 0.000 0.462 40 V N 0.629 120.432 119.914 -0.184 0.000 6.078 40 V HA -0.285 3.826 4.120 -0.014 0.000 0.301 40 V C -0.056 175.927 176.094 -0.185 0.000 0.571 40 V CA 1.118 63.280 62.300 -0.229 0.000 0.625 40 V CB -2.330 29.384 31.823 -0.183 0.000 0.271 40 V HN 0.460 nan 8.190 nan 0.000 0.788 41 K N 0.658 120.960 120.400 -0.164 0.000 2.477 41 K HA 0.655 4.966 4.320 -0.014 0.000 0.255 41 K C -0.406 176.166 176.600 -0.047 0.000 0.952 41 K CA -0.648 55.577 56.287 -0.104 0.000 0.826 41 K CB 2.668 35.107 32.500 -0.103 0.000 1.331 41 K HN 0.494 nan 8.250 nan 0.000 0.437 42 D N -0.211 120.181 120.400 -0.013 0.000 2.326 42 D HA 0.240 4.871 4.640 -0.014 0.000 0.251 42 D C 0.808 177.143 176.300 0.058 0.000 1.023 42 D CA -0.718 53.307 54.000 0.041 0.000 0.966 42 D CB 0.941 41.763 40.800 0.036 0.000 1.156 42 D HN 0.124 nan 8.370 nan 0.000 0.494 43 R N 0.382 120.947 120.500 0.109 0.000 2.200 43 R HA -0.060 4.271 4.340 -0.014 0.000 0.234 43 R C 0.824 177.203 176.300 0.133 0.000 1.127 43 R CA 0.611 56.816 56.100 0.177 0.000 0.989 43 R CB -0.662 29.748 30.300 0.184 0.000 0.869 43 R HN 0.551 nan 8.270 nan 0.000 0.459 44 N N 0.269 119.014 118.700 0.075 0.000 2.409 44 N HA -0.084 4.647 4.740 -0.014 0.000 0.179 44 N C 1.588 177.120 175.510 0.037 0.000 1.032 44 N CA 1.286 54.369 53.050 0.055 0.000 0.898 44 N CB 0.306 38.815 38.487 0.036 0.000 0.971 44 N HN 0.237 nan 8.380 nan 0.000 0.441 45 V N -3.324 116.599 119.914 0.015 0.000 3.502 45 V HA 0.522 4.633 4.120 -0.014 0.000 0.288 45 V C 0.770 176.833 176.094 -0.052 0.000 1.461 45 V CA -0.516 61.778 62.300 -0.011 0.000 1.029 45 V CB -0.281 31.532 31.823 -0.018 0.000 0.843 45 V HN 0.036 nan 8.190 nan 0.000 0.438 46 A N 2.416 125.180 122.820 -0.094 0.000 2.511 46 A HA 0.547 4.859 4.320 -0.014 0.000 0.242 46 A C 0.784 178.176 177.584 -0.320 0.000 1.069 46 A CA 0.878 52.745 52.037 -0.284 0.000 0.763 46 A CB -0.232 18.473 19.000 -0.493 0.000 1.001 46 A HN 0.846 nan 8.150 nan 0.000 0.498 47 T N 0.486 114.861 114.554 -0.298 0.000 2.936 47 T HA 0.550 4.891 4.350 -0.014 0.000 0.282 47 T C -2.057 172.551 174.700 -0.154 0.000 1.003 47 T CA -1.736 60.279 62.100 -0.143 0.000 1.005 47 T CB 1.066 69.904 68.868 -0.050 0.000 1.097 47 T HN 0.269 nan 8.240 nan 0.000 0.532 48 P HA -0.128 nan 4.420 nan 0.000 0.217 48 P C 1.615 179.026 177.300 0.185 0.000 1.151 48 P CA 1.047 64.290 63.100 0.238 0.000 0.849 48 P CB 0.045 31.845 31.700 0.166 0.000 0.787 49 R N -0.072 120.482 120.500 0.088 0.000 2.096 49 R HA -0.142 4.190 4.340 -0.014 0.000 0.235 49 R C 1.696 178.164 176.300 0.280 0.000 1.127 49 R CA 1.769 57.954 56.100 0.142 0.000 0.968 49 R CB -0.639 29.674 30.300 0.020 0.000 0.861 49 R HN 0.118 nan 8.270 nan 0.000 0.440 50 D N -0.387 120.063 120.400 0.084 0.000 2.117 50 D HA -0.190 4.441 4.640 -0.014 0.000 0.197 50 D C 1.733 178.053 176.300 0.034 0.000 0.987 50 D CA 1.310 55.316 54.000 0.009 0.000 0.829 50 D CB -0.295 40.368 40.800 -0.228 0.000 0.961 50 D HN 0.301 nan 8.370 nan 0.000 0.460 51 Y N 0.231 120.640 120.300 0.182 0.000 2.181 51 Y HA -0.211 4.330 4.550 -0.014 0.000 0.288 51 Y C 2.344 178.383 175.900 0.231 0.000 1.146 51 Y CA 0.316 58.571 58.100 0.258 0.000 1.164 51 Y CB -1.221 37.453 38.460 0.357 0.000 0.982 51 Y HN 0.075 nan 8.280 nan 0.000 0.515 52 Y N -0.314 120.129 120.300 0.237 0.000 2.081 52 Y HA -0.329 4.212 4.550 -0.015 0.000 0.280 52 Y C 2.046 177.920 175.900 -0.044 0.000 1.163 52 Y CA 1.483 59.616 58.100 0.054 0.000 1.135 52 Y CB -1.207 37.177 38.460 -0.126 0.000 0.970 52 Y HN 0.059 nan 8.280 nan 0.000 0.498 53 F N 0.121 119.846 119.950 -0.374 0.000 2.171 53 F HA -0.149 4.370 4.527 -0.014 0.000 0.300 53 F C 2.642 178.268 175.800 -0.290 0.000 1.090 53 F CA 1.273 58.993 58.000 -0.466 0.000 1.293 53 F CB -0.800 38.116 39.000 -0.141 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.172 122.587 122.820 -0.102 0.000 1.902 54 A HA -0.175 4.136 4.320 -0.014 0.000 0.217 54 A C 2.050 179.495 177.584 -0.231 0.000 1.181 54 A CA 1.538 53.384 52.037 -0.318 0.000 0.623 54 A CB -0.986 17.481 19.000 -0.889 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.170 121.029 121.223 -0.040 0.000 1.994 55 L HA -0.031 4.301 4.340 -0.014 0.000 0.208 55 L C 2.695 179.550 176.870 -0.024 0.000 1.071 55 L CA 2.246 57.204 54.840 0.197 0.000 0.745 55 L CB -1.004 41.244 42.059 0.316 0.000 0.892 55 L HN 0.343 nan 8.230 nan 0.000 0.431 56 A N -1.132 121.491 122.820 -0.329 0.000 1.892 56 A HA -0.316 3.995 4.320 -0.014 0.000 0.218 56 A C 2.166 179.389 177.584 -0.602 0.000 1.188 56 A CA 2.215 53.925 52.037 -0.545 0.000 0.631 56 A CB -1.208 17.117 19.000 -1.125 0.000 0.822 56 A HN 0.707 nan 8.150 nan 0.000 0.447 57 H N -0.951 117.799 119.070 -0.533 0.000 2.387 57 H HA -0.057 4.491 4.556 -0.014 0.000 0.299 57 H C 2.379 177.417 175.328 -0.482 0.000 1.090 57 H CA 1.944 57.593 56.048 -0.665 0.000 1.332 57 H CB -0.170 28.945 29.762 -1.078 0.000 1.386 57 H HN 0.477 nan 8.280 nan 0.000 0.516 58 T N -0.262 114.242 114.554 -0.083 0.000 2.708 58 T HA -0.142 4.199 4.350 -0.014 0.000 0.266 58 T C 2.265 177.136 174.700 0.284 0.000 1.037 58 T CA 1.389 63.638 62.100 0.247 0.000 1.146 58 T CB -0.411 68.668 68.868 0.352 0.000 0.865 58 T HN 0.092 nan 8.240 nan 0.000 0.435 59 V N 1.665 121.718 119.914 0.233 0.000 2.358 59 V HA -0.136 3.975 4.120 -0.014 0.000 0.246 59 V C 2.638 178.918 176.094 0.311 0.000 1.047 59 V CA 1.621 64.103 62.300 0.304 0.000 1.035 59 V CB -0.652 31.338 31.823 0.278 0.000 0.658 59 V HN 0.384 nan 8.190 nan 0.000 0.452 60 R N 0.266 120.893 120.500 0.213 0.000 2.105 60 R HA -0.231 4.101 4.340 -0.014 0.000 0.239 60 R C 1.937 178.338 176.300 0.169 0.000 1.135 60 R CA 2.143 58.363 56.100 0.200 0.000 0.967 60 R CB -0.489 29.775 30.300 -0.060 0.000 0.861 60 R HN 0.475 nan 8.270 nan 0.000 0.442 61 D N -0.067 120.414 120.400 0.134 0.000 2.158 61 D HA -0.180 4.451 4.640 -0.014 0.000 0.197 61 D C 1.714 178.016 176.300 0.003 0.000 0.995 61 D CA 1.179 55.224 54.000 0.074 0.000 0.846 61 D CB -0.395 40.436 40.800 0.051 0.000 0.941 61 D HN 0.476 nan 8.370 nan 0.000 0.456 62 H N -0.399 118.737 119.070 0.111 0.000 2.524 62 H HA 0.066 4.613 4.556 -0.014 0.000 0.282 62 H C 2.202 177.572 175.328 0.070 0.000 1.016 62 H CA 0.346 56.441 56.048 0.079 0.000 1.270 62 H CB 0.322 30.123 29.762 0.064 0.000 1.394 62 H HN 0.207 nan 8.280 nan 0.000 0.568 63 L N 0.567 121.901 121.223 0.185 0.000 2.162 63 L HA -0.101 4.230 4.340 -0.014 0.000 0.205 63 L C 2.743 179.725 176.870 0.187 0.000 1.086 63 L CA 0.465 55.381 54.840 0.127 0.000 0.778 63 L CB -0.151 41.950 42.059 0.069 0.000 0.928 63 L HN 0.109 nan 8.230 nan 0.000 0.446 64 V N -2.608 117.436 119.914 0.216 0.000 2.343 64 V HA -0.091 4.020 4.120 -0.014 0.000 0.247 64 V C 2.347 178.555 176.094 0.189 0.000 1.051 64 V CA 1.865 64.331 62.300 0.276 0.000 1.036 64 V CB -1.766 30.180 31.823 0.204 0.000 0.654 64 V HN 0.361 nan 8.190 nan 0.000 0.451 65 G N 0.370 109.237 108.800 0.112 0.000 2.446 65 G HA2 -0.244 3.708 3.960 -0.014 0.000 0.217 65 G HA3 -0.244 3.708 3.960 -0.014 0.000 0.217 65 G C 1.770 176.715 174.900 0.075 0.000 1.168 65 G CA 1.039 46.179 45.100 0.067 0.000 0.771 65 G HN 0.533 nan 8.290 nan 0.000 0.551 66 R N -1.431 119.123 120.500 0.090 0.000 2.096 66 R HA -0.085 4.246 4.340 -0.014 0.000 0.235 66 R C 2.275 178.653 176.300 0.129 0.000 1.127 66 R CA 1.207 57.348 56.100 0.068 0.000 0.968 66 R CB -0.371 29.954 30.300 0.042 0.000 0.861 66 R HN 0.482 nan 8.270 nan 0.000 0.440 67 W N 1.592 122.869 121.300 -0.039 0.000 2.355 67 W HA -0.082 4.569 4.660 -0.014 0.000 0.309 67 W C 1.741 178.225 176.519 -0.058 0.000 1.206 67 W CA 0.960 58.277 57.345 -0.047 0.000 1.284 67 W CB -0.628 28.822 29.460 -0.016 0.000 1.145 67 W HN -0.037 nan 8.180 nan 0.000 0.502 68 I N 0.954 121.572 120.570 0.080 0.000 2.226 68 I HA -0.342 3.820 4.170 -0.014 0.000 0.245 68 I C 2.687 178.780 176.117 -0.040 0.000 1.100 68 I CA 2.080 63.342 61.300 -0.064 0.000 1.374 68 I CB -0.647 37.321 38.000 -0.054 0.000 1.057 68 I HN -0.009 nan 8.210 nan 0.000 0.413 69 R N 0.350 120.844 120.500 -0.010 0.000 2.153 69 R HA -0.040 4.291 4.340 -0.014 0.000 0.218 69 R C 1.919 178.179 176.300 -0.067 0.000 1.072 69 R CA 1.456 57.540 56.100 -0.026 0.000 0.990 69 R CB -1.056 29.230 30.300 -0.023 0.000 0.889 69 R HN 0.154 nan 8.270 nan 0.000 0.452 70 T N 1.659 116.151 114.554 -0.102 0.000 2.674 70 T HA -0.113 4.229 4.350 -0.014 0.000 0.265 70 T C 1.814 176.223 174.700 -0.485 0.000 1.039 70 T CA 1.419 63.345 62.100 -0.290 0.000 1.150 70 T CB -0.138 68.602 68.868 -0.212 0.000 0.864 70 T HN 0.257 nan 8.240 nan 0.000 0.427 71 Q N 0.784 120.451 119.800 -0.221 0.000 2.167 71 Q HA -0.087 4.244 4.340 -0.014 0.000 0.202 71 Q C 2.341 178.343 176.000 0.005 0.000 0.970 71 Q CA 1.264 57.016 55.803 -0.086 0.000 0.855 71 Q CB -0.483 28.240 28.738 -0.026 0.000 0.911 71 Q HN 0.530 nan 8.270 nan 0.000 0.438 72 Q N 0.183 119.976 119.800 -0.012 0.000 2.050 72 Q HA -0.208 4.123 4.340 -0.014 0.000 0.202 72 Q C 1.982 178.060 176.000 0.131 0.000 0.980 72 Q CA 1.935 57.776 55.803 0.064 0.000 0.840 72 Q CB -0.342 28.416 28.738 0.032 0.000 0.898 72 Q HN 0.538 nan 8.270 nan 0.000 0.424 73 H N -1.021 118.017 119.070 -0.053 0.000 2.353 73 H HA -0.195 4.352 4.556 -0.014 0.000 0.298 73 H C 1.250 176.642 175.328 0.107 0.000 1.103 73 H CA 2.300 58.330 56.048 -0.029 0.000 1.293 73 H CB -0.330 29.351 29.762 -0.135 0.000 1.372 73 H HN 0.386 nan 8.280 nan 0.000 0.501 74 Y N -1.065 119.250 120.300 0.025 0.000 2.224 74 Y HA -0.191 4.350 4.550 -0.015 0.000 0.289 74 Y C 2.459 178.379 175.900 0.034 0.000 1.146 74 Y CA 1.092 59.181 58.100 -0.018 0.000 1.182 74 Y CB -1.396 37.115 38.460 0.085 0.000 0.983 74 Y HN 0.353 nan 8.280 nan 0.000 0.524 75 Y N 1.159 121.537 120.300 0.130 0.000 2.242 75 Y HA -0.169 4.372 4.550 -0.015 0.000 0.291 75 Y C 2.105 178.018 175.900 0.022 0.000 1.137 75 Y CA 1.614 59.758 58.100 0.073 0.000 1.181 75 Y CB 0.007 38.502 38.460 0.060 0.000 0.989 75 Y HN 0.039 nan 8.280 nan 0.000 0.527 76 E N 0.199 120.417 120.200 0.030 0.000 2.051 76 E HA -0.127 4.214 4.350 -0.014 0.000 0.189 76 E C 1.946 178.478 176.600 -0.114 0.000 0.979 76 E CA 1.058 57.425 56.400 -0.056 0.000 0.803 76 E CB -0.220 29.499 29.700 0.032 0.000 0.761 76 E HN 0.452 nan 8.360 nan 0.000 0.451 77 K N 0.816 121.128 120.400 -0.147 0.000 2.418 77 K HA -0.066 4.246 4.320 -0.014 0.000 0.195 77 K C -0.128 176.407 176.600 -0.108 0.000 1.035 77 K CA 0.258 56.453 56.287 -0.153 0.000 1.003 77 K CB 0.035 32.367 32.500 -0.281 0.000 0.793 77 K HN -0.017 nan 8.250 nan 0.000 0.494 78 D N 1.364 121.706 120.400 -0.097 0.000 2.755 78 D HA -0.113 4.519 4.640 -0.014 0.000 0.227 78 D C -2.402 173.863 176.300 -0.058 0.000 1.211 78 D CA 0.124 54.078 54.000 -0.076 0.000 0.663 78 D CB -0.027 40.705 40.800 -0.114 0.000 0.983 78 D HN 0.183 nan 8.370 nan 0.000 0.407 79 P HA 0.096 nan 4.420 nan 0.000 0.276 79 P C -0.114 177.140 177.300 -0.076 0.000 1.261 79 P CA -0.599 62.458 63.100 -0.072 0.000 0.800 79 P CB 0.619 32.257 31.700 -0.103 0.000 1.066 80 K N 1.134 121.494 120.400 -0.067 0.000 2.451 80 K HA 0.051 4.362 4.320 -0.014 0.000 0.280 80 K C -0.065 176.449 176.600 -0.142 0.000 1.020 80 K CA 0.034 56.276 56.287 -0.074 0.000 1.008 80 K CB 0.201 32.675 32.500 -0.044 0.000 0.917 80 K HN 0.266 nan 8.250 nan 0.000 0.478 81 R N 3.682 124.088 120.500 -0.156 0.000 2.368 81 R HA 0.345 4.676 4.340 -0.014 0.000 0.302 81 R C -0.579 175.465 176.300 -0.428 0.000 1.002 81 R CA -0.524 55.405 56.100 -0.285 0.000 0.929 81 R CB 0.879 31.036 30.300 -0.239 0.000 1.073 81 R HN 0.494 nan 8.270 nan 0.000 0.464 82 I N 4.478 124.726 120.570 -0.537 0.000 2.339 82 I HA 0.206 4.367 4.170 -0.014 0.000 0.290 82 I C -0.690 175.123 176.117 -0.507 0.000 0.994 82 I CA -0.769 60.168 61.300 -0.605 0.000 1.191 82 I CB 0.839 38.342 38.000 -0.829 0.000 1.343 82 I HN 0.548 nan 8.210 nan 0.000 0.458 83 Y N 5.937 126.195 120.300 -0.070 0.000 2.402 83 Y HA 0.277 4.818 4.550 -0.014 0.000 0.332 83 Y C -0.243 175.749 175.900 0.152 0.000 0.960 83 Y CA -0.701 57.477 58.100 0.131 0.000 1.228 83 Y CB 1.062 39.551 38.460 0.049 0.000 1.120 83 Y HN 0.399 nan 8.280 nan 0.000 0.491 84 Y N 4.601 125.068 120.300 0.280 0.000 2.535 84 Y HA 0.443 4.984 4.550 -0.014 0.000 0.349 84 Y C -1.149 175.013 175.900 0.436 0.000 0.992 84 Y CA -0.879 57.400 58.100 0.299 0.000 1.248 84 Y CB 0.201 38.840 38.460 0.298 0.000 1.124 84 Y HN 0.493 nan 8.280 nan 0.000 0.520 85 L N 4.892 126.186 121.223 0.118 0.000 2.265 85 L HA 0.465 4.796 4.340 -0.014 0.000 0.288 85 L C -0.123 176.783 176.870 0.061 0.000 1.058 85 L CA 0.158 55.121 54.840 0.205 0.000 0.809 85 L CB 1.295 43.435 42.059 0.135 0.000 1.179 85 L HN 0.560 nan 8.230 nan 0.000 0.429 86 S N 2.320 118.137 115.700 0.194 0.000 2.541 86 S HA 0.508 4.969 4.470 -0.014 0.000 0.271 86 S C 0.247 174.944 174.600 0.161 0.000 1.133 86 S CA -0.518 57.690 58.200 0.013 0.000 0.876 86 S CB 1.026 63.992 63.200 -0.390 0.000 1.105 86 S HN 0.465 nan 8.310 nan 0.000 0.470 87 L N 2.666 124.017 121.223 0.213 0.000 2.591 87 L HA 0.434 4.765 4.340 -0.014 0.000 0.228 87 L C 0.291 177.361 176.870 0.332 0.000 1.133 87 L CA 0.978 56.008 54.840 0.316 0.000 0.880 87 L CB -0.087 42.172 42.059 0.335 0.000 1.033 87 L HN 0.637 nan 8.230 nan 0.000 0.450 88 E N -1.197 119.068 120.200 0.107 0.000 2.275 88 E HA 0.394 4.735 4.350 -0.014 0.000 0.270 88 E C -1.393 175.078 176.600 -0.216 0.000 0.882 88 E CA -0.428 56.021 56.400 0.082 0.000 0.758 88 E CB 1.853 31.586 29.700 0.055 0.000 1.195 88 E HN -0.164 nan 8.360 nan 0.000 0.419 89 F N 2.213 122.267 119.950 0.174 0.000 2.716 89 F HA 0.174 4.692 4.527 -0.015 0.000 0.354 89 F C -0.827 175.054 175.800 0.135 0.000 1.168 89 F CA -0.793 57.294 58.000 0.145 0.000 1.045 89 F CB 0.997 40.071 39.000 0.122 0.000 1.311 89 F HN 0.485 nan 8.300 nan 0.000 0.477 90 Y N 5.299 125.668 120.300 0.115 0.000 2.714 90 Y HA 0.228 4.770 4.550 -0.014 0.000 0.333 90 Y C 0.905 176.821 175.900 0.026 0.000 1.220 90 Y CA -1.062 57.058 58.100 0.033 0.000 1.513 90 Y CB 0.343 38.805 38.460 0.003 0.000 1.435 90 Y HN 0.555 nan 8.280 nan 0.000 0.489 91 M N 1.694 121.446 119.600 0.252 0.000 2.288 91 M HA 0.108 4.579 4.480 -0.014 0.000 0.266 91 M C 1.566 177.852 176.300 -0.025 0.000 1.072 91 M CA 1.098 56.444 55.300 0.076 0.000 1.132 91 M CB -1.241 31.373 32.600 0.023 0.000 1.386 91 M HN 0.710 nan 8.290 nan 0.000 0.432 92 G N 1.174 109.982 108.800 0.014 0.000 2.569 92 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.259 92 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.259 92 G C -0.238 174.624 174.900 -0.063 0.000 1.263 92 G CA -0.274 44.787 45.100 -0.065 0.000 0.928 92 G HN 0.443 nan 8.290 nan 0.000 0.572 93 R N -0.741 119.699 120.500 -0.101 0.000 2.582 93 R HA 0.561 4.893 4.340 -0.014 0.000 0.271 93 R C 1.095 177.277 176.300 -0.197 0.000 1.078 93 R CA 0.347 56.395 56.100 -0.087 0.000 1.127 93 R CB 0.682 30.937 30.300 -0.075 0.000 1.038 93 R HN 0.523 nan 8.270 nan 0.000 0.500 94 T N 1.108 115.492 114.554 -0.284 0.000 2.978 94 T HA -0.004 4.337 4.350 -0.014 0.000 0.248 94 T C 1.404 175.712 174.700 -0.653 0.000 1.018 94 T CA -0.132 61.580 62.100 -0.646 0.000 1.026 94 T CB 0.145 68.248 68.868 -1.275 0.000 1.032 94 T HN 0.317 nan 8.240 nan 0.000 0.485 95 L N 1.895 122.966 121.223 -0.254 0.000 1.976 95 L HA 0.002 4.333 4.340 -0.014 0.000 0.209 95 L C 2.458 179.294 176.870 -0.058 0.000 1.071 95 L CA 1.999 56.850 54.840 0.018 0.000 0.746 95 L CB -0.656 41.632 42.059 0.383 0.000 0.890 95 L HN 0.170 nan 8.230 nan 0.000 0.432 96 Q N -0.732 119.032 119.800 -0.060 0.000 2.084 96 Q HA -0.249 4.082 4.340 -0.014 0.000 0.202 96 Q C 2.226 178.150 176.000 -0.126 0.000 0.978 96 Q CA 1.796 57.555 55.803 -0.072 0.000 0.844 96 Q CB -0.311 28.382 28.738 -0.075 0.000 0.898 96 Q HN 0.700 nan 8.270 nan 0.000 0.426 97 N N -0.941 117.643 118.700 -0.194 0.000 2.104 97 N HA -0.157 4.574 4.740 -0.014 0.000 0.190 97 N C 1.364 176.759 175.510 -0.191 0.000 1.024 97 N CA 1.858 54.782 53.050 -0.210 0.000 0.853 97 N CB 0.050 38.377 38.487 -0.267 0.000 1.008 97 N HN 0.227 nan 8.380 nan 0.000 0.424 98 T N 1.298 115.702 114.554 -0.250 0.000 2.777 98 T HA -0.053 4.289 4.350 -0.014 0.000 0.266 98 T C 2.091 176.725 174.700 -0.111 0.000 1.040 98 T CA 1.047 63.019 62.100 -0.214 0.000 1.141 98 T CB -0.074 68.614 68.868 -0.299 0.000 0.868 98 T HN 0.256 nan 8.240 nan 0.000 0.444 99 M N 0.660 120.213 119.600 -0.078 0.000 2.080 99 M HA -0.109 4.363 4.480 -0.014 0.000 0.260 99 M C 2.509 178.775 176.300 -0.056 0.000 1.068 99 M CA 1.368 56.638 55.300 -0.049 0.000 1.109 99 M CB -0.761 31.827 32.600 -0.020 0.000 1.342 99 M HN 0.095 nan 8.290 nan 0.000 0.405 100 V N 1.046 120.931 119.914 -0.048 0.000 2.282 100 V HA -0.300 3.812 4.120 -0.014 0.000 0.249 100 V C 1.835 177.941 176.094 0.020 0.000 1.057 100 V CA 2.072 64.370 62.300 -0.004 0.000 1.032 100 V CB -0.943 30.876 31.823 -0.007 0.000 0.645 100 V HN 0.483 nan 8.190 nan 0.000 0.447 101 N N -0.486 118.209 118.700 -0.008 0.000 2.459 101 N HA -0.041 4.690 4.740 -0.014 0.000 0.181 101 N C 1.086 176.508 175.510 -0.148 0.000 1.046 101 N CA 0.726 53.757 53.050 -0.031 0.000 0.904 101 N CB -0.105 38.364 38.487 -0.030 0.000 0.964 101 N HN 0.294 nan 8.380 nan 0.000 0.444 102 L N -0.239 120.911 121.223 -0.122 0.000 2.640 102 L HA 0.400 4.731 4.340 -0.014 0.000 0.230 102 L C 0.606 177.391 176.870 -0.142 0.000 1.123 102 L CA -0.239 54.525 54.840 -0.127 0.000 0.900 102 L CB -0.750 41.255 42.059 -0.090 0.000 1.146 102 L HN 0.095 nan 8.230 nan 0.000 0.484 103 A N -0.445 122.290 122.820 -0.142 0.000 2.822 103 A HA -0.231 4.080 4.320 -0.014 0.000 0.287 103 A C 1.224 178.748 177.584 -0.100 0.000 1.479 103 A CA 1.185 53.150 52.037 -0.119 0.000 0.779 103 A CB -2.040 16.875 19.000 -0.140 0.000 1.022 103 A HN 0.332 nan 8.150 nan 0.000 0.532 104 L N -1.517 119.648 121.223 -0.097 0.000 2.693 104 L HA 0.134 4.465 4.340 -0.014 0.000 0.235 104 L C 2.010 178.844 176.870 -0.059 0.000 1.127 104 L CA 0.738 55.516 54.840 -0.103 0.000 0.914 104 L CB 0.034 42.005 42.059 -0.146 0.000 1.193 104 L HN 0.660 nan 8.230 nan 0.000 0.502 105 E N 0.673 120.848 120.200 -0.043 0.000 2.051 105 E HA -0.224 4.117 4.350 -0.014 0.000 0.192 105 E C 1.641 178.229 176.600 -0.020 0.000 0.991 105 E CA 1.262 57.648 56.400 -0.024 0.000 0.799 105 E CB 0.267 29.955 29.700 -0.020 0.000 0.748 105 E HN 0.409 nan 8.360 nan 0.000 0.449 106 N N 0.109 118.794 118.700 -0.026 0.000 2.142 106 N HA -0.100 4.632 4.740 -0.014 0.000 0.186 106 N C 1.571 177.068 175.510 -0.022 0.000 1.023 106 N CA 1.161 54.196 53.050 -0.025 0.000 0.852 106 N CB -0.362 38.108 38.487 -0.027 0.000 0.998 106 N HN 0.190 nan 8.380 nan 0.000 0.424 107 A N 0.531 123.335 122.820 -0.025 0.000 1.883 107 A HA -0.176 4.135 4.320 -0.014 0.000 0.217 107 A C 2.667 180.247 177.584 -0.007 0.000 1.186 107 A CA 1.538 53.563 52.037 -0.020 0.000 0.624 107 A CB -1.105 17.873 19.000 -0.037 0.000 0.822 107 A HN 0.449 nan 8.150 nan 0.000 0.444 108 C N -0.904 118.393 119.300 -0.006 0.000 2.440 108 C HA -0.069 4.383 4.460 -0.014 0.000 0.278 108 C C 2.482 177.479 174.990 0.012 0.000 1.295 108 C CA 1.055 60.083 59.018 0.016 0.000 1.738 108 C CB -1.154 26.607 27.740 0.036 0.000 1.987 108 C HN 0.677 nan 8.230 nan 0.000 0.492 109 D N 0.675 121.079 120.400 0.007 0.000 2.097 109 D HA -0.144 4.487 4.640 -0.014 0.000 0.195 109 D C 2.133 178.449 176.300 0.027 0.000 0.989 109 D CA 1.520 55.525 54.000 0.009 0.000 0.827 109 D CB -0.264 40.529 40.800 -0.013 0.000 0.966 109 D HN 0.460 nan 8.370 nan 0.000 0.456 110 E N 0.359 120.570 120.200 0.018 0.000 2.051 110 E HA -0.070 4.271 4.350 -0.014 0.000 0.192 110 E C 1.895 178.534 176.600 0.064 0.000 0.991 110 E CA 1.641 58.074 56.400 0.054 0.000 0.799 110 E CB -0.590 29.125 29.700 0.025 0.000 0.748 110 E HN 0.206 nan 8.360 nan 0.000 0.449 111 A N -0.115 122.711 122.820 0.011 0.000 1.883 111 A HA -0.234 4.077 4.320 -0.014 0.000 0.217 111 A C 2.509 180.021 177.584 -0.120 0.000 1.186 111 A CA 3.049 55.064 52.037 -0.036 0.000 0.624 111 A CB -1.506 17.480 19.000 -0.023 0.000 0.822 111 A HN 0.529 nan 8.150 nan 0.000 0.444 112 T N -3.762 110.717 114.554 -0.125 0.000 2.857 112 T HA -0.209 4.133 4.350 -0.014 0.000 0.266 112 T C 1.864 176.486 174.700 -0.131 0.000 1.048 112 T CA 1.510 63.477 62.100 -0.221 0.000 1.139 112 T CB -0.631 68.150 68.868 -0.146 0.000 0.874 112 T HN 0.455 nan 8.240 nan 0.000 0.455 113 Y N 2.257 122.478 120.300 -0.131 0.000 2.165 113 Y HA -0.138 4.404 4.550 -0.014 0.000 0.286 113 Y C 2.591 178.429 175.900 -0.103 0.000 1.155 113 Y CA 1.673 59.714 58.100 -0.098 0.000 1.164 113 Y CB -0.554 37.867 38.460 -0.064 0.000 0.978 113 Y HN 0.271 nan 8.280 nan 0.000 0.513 114 Q N -1.029 118.681 119.800 -0.150 0.000 2.297 114 Q HA -0.096 4.236 4.340 -0.014 0.000 0.204 114 Q C 1.390 177.251 176.000 -0.232 0.000 0.962 114 Q CA 0.706 56.381 55.803 -0.213 0.000 0.879 114 Q CB -0.014 28.679 28.738 -0.074 0.000 0.947 114 Q HN 0.354 nan 8.270 nan 0.000 0.462 115 L N -0.998 120.071 121.223 -0.257 0.000 2.591 115 L HA 0.163 4.495 4.340 -0.014 0.000 0.228 115 L C 1.106 177.805 176.870 -0.286 0.000 1.133 115 L CA 1.103 55.775 54.840 -0.281 0.000 0.880 115 L CB -0.239 41.561 42.059 -0.432 0.000 1.033 115 L HN 0.290 nan 8.230 nan 0.000 0.450 116 G N -0.149 108.473 108.800 -0.298 0.000 2.149 116 G HA2 -0.239 3.712 3.960 -0.014 0.000 0.235 116 G HA3 -0.239 3.712 3.960 -0.014 0.000 0.235 116 G C 0.044 174.812 174.900 -0.219 0.000 1.018 116 G CA 0.201 45.144 45.100 -0.262 0.000 0.728 116 G HN 0.271 nan 8.290 nan 0.000 0.508 117 L N -0.129 120.965 121.223 -0.216 0.000 2.354 117 L HA 0.598 4.929 4.340 -0.014 0.000 0.269 117 L C -0.627 176.219 176.870 -0.038 0.000 1.005 117 L CA -1.179 53.565 54.840 -0.161 0.000 0.819 117 L CB 1.932 43.833 42.059 -0.264 0.000 1.311 117 L HN 0.086 nan 8.230 nan 0.000 0.423 118 D N 2.265 122.670 120.400 0.009 0.000 2.359 118 D HA 0.185 4.816 4.640 -0.014 0.000 0.230 118 D C 0.600 176.933 176.300 0.055 0.000 1.118 118 D CA -0.233 53.798 54.000 0.051 0.000 0.844 118 D CB 1.586 42.420 40.800 0.056 0.000 1.059 118 D HN 0.509 nan 8.370 nan 0.000 0.493 119 M N 3.126 122.759 119.600 0.055 0.000 2.213 119 M HA -0.124 4.347 4.480 -0.014 0.000 0.263 119 M C 1.395 177.739 176.300 0.073 0.000 1.062 119 M CA 1.426 56.767 55.300 0.069 0.000 1.105 119 M CB 0.205 32.838 32.600 0.055 0.000 1.385 119 M HN 0.446 nan 8.290 nan 0.000 0.417 120 E N -0.078 120.155 120.200 0.054 0.000 2.085 120 E HA -0.277 4.064 4.350 -0.014 0.000 0.194 120 E C 1.863 178.496 176.600 0.055 0.000 0.994 120 E CA 1.598 58.027 56.400 0.047 0.000 0.801 120 E CB -0.193 29.531 29.700 0.041 0.000 0.743 120 E HN 0.622 nan 8.360 nan 0.000 0.453 121 E N 0.409 120.647 120.200 0.063 0.000 2.077 121 E HA -0.205 4.136 4.350 -0.014 0.000 0.193 121 E C 2.006 178.650 176.600 0.073 0.000 0.989 121 E CA 0.638 57.077 56.400 0.065 0.000 0.800 121 E CB 0.142 29.884 29.700 0.069 0.000 0.746 121 E HN 0.079 nan 8.360 nan 0.000 0.452 122 L N 1.480 122.768 121.223 0.109 0.000 2.083 122 L HA -0.147 4.184 4.340 -0.014 0.000 0.209 122 L C 2.106 179.046 176.870 0.116 0.000 1.083 122 L CA 1.663 56.603 54.840 0.166 0.000 0.752 122 L CB -0.703 41.504 42.059 0.246 0.000 0.899 122 L HN 0.147 nan 8.230 nan 0.000 0.433 123 E N -0.769 119.486 120.200 0.092 0.000 2.153 123 E HA -0.196 4.145 4.350 -0.014 0.000 0.194 123 E C 1.838 178.402 176.600 -0.060 0.000 0.988 123 E CA 0.781 57.206 56.400 0.041 0.000 0.811 123 E CB 0.006 29.732 29.700 0.043 0.000 0.746 123 E HN 0.391 nan 8.360 nan 0.000 0.466 124 E N 0.249 120.428 120.200 -0.035 0.000 2.409 124 E HA -0.111 4.230 4.350 -0.014 0.000 0.198 124 E C 1.822 178.361 176.600 -0.102 0.000 1.024 124 E CA 0.557 56.936 56.400 -0.035 0.000 0.861 124 E CB 0.048 29.763 29.700 0.025 0.000 0.788 124 E HN 0.398 nan 8.360 nan 0.000 0.521 125 I N 0.719 121.163 120.570 -0.209 0.000 2.617 125 I HA -0.097 4.064 4.170 -0.014 0.000 0.256 125 I C 1.352 177.155 176.117 -0.523 0.000 1.167 125 I CA 0.220 61.326 61.300 -0.323 0.000 1.469 125 I CB 0.133 37.946 38.000 -0.311 0.000 1.098 125 I HN -0.040 nan 8.210 nan 0.000 0.436 126 E N 2.710 122.475 120.200 -0.725 0.000 2.415 126 E HA -0.049 4.293 4.350 -0.014 0.000 0.263 126 E C -0.215 176.286 176.600 -0.164 0.000 0.995 126 E CA -0.161 55.881 56.400 -0.597 0.000 0.915 126 E CB 0.580 30.060 29.700 -0.368 0.000 0.951 126 E HN 0.096 nan 8.360 nan 0.000 0.449 127 E N 3.434 123.631 120.200 -0.005 0.000 2.354 127 E HA 0.045 4.387 4.350 -0.014 0.000 0.269 127 E C -0.815 175.886 176.600 0.169 0.000 1.036 127 E CA -0.187 56.297 56.400 0.140 0.000 0.876 127 E CB 0.701 30.571 29.700 0.284 0.000 1.009 127 E HN 0.487 nan 8.360 nan 0.000 0.416 128 D N 0.867 121.344 120.400 0.127 0.000 2.455 128 D HA 0.116 4.747 4.640 -0.014 0.000 0.241 128 D C -0.260 176.093 176.300 0.088 0.000 1.138 128 D CA 0.260 54.318 54.000 0.096 0.000 0.877 128 D CB 0.523 41.376 40.800 0.089 0.000 1.187 128 D HN 0.367 nan 8.370 nan 0.000 0.451 129 A N 2.589 125.414 122.820 0.008 0.000 2.666 129 A HA 0.454 4.765 4.320 -0.014 0.000 0.301 129 A C 1.068 178.492 177.584 -0.267 0.000 1.470 129 A CA -0.372 51.459 52.037 -0.343 0.000 1.159 129 A CB -0.288 18.576 19.000 -0.228 0.000 1.116 129 A HN 0.569 nan 8.150 nan 0.000 0.548 130 G N 2.184 110.744 108.800 -0.400 0.000 3.943 130 G HA2 0.417 4.368 3.960 -0.014 0.000 0.275 130 G HA3 0.417 4.368 3.960 -0.014 0.000 0.275 130 G C 0.297 174.872 174.900 -0.541 0.000 1.234 130 G CA -0.307 44.569 45.100 -0.373 0.000 1.522 130 G HN 0.693 nan 8.290 nan 0.000 0.636 131 L N 1.349 122.342 121.223 -0.382 0.000 2.862 131 L HA 0.388 4.720 4.340 -0.014 0.000 0.240 131 L C 1.009 177.821 176.870 -0.096 0.000 1.283 131 L CA -0.198 54.563 54.840 -0.132 0.000 1.117 131 L CB -0.312 41.786 42.059 0.064 0.000 1.444 131 L HN 0.331 nan 8.230 nan 0.000 0.456 132 G N -1.295 107.234 108.800 -0.452 0.000 2.623 132 G HA2 0.174 4.126 3.960 -0.014 0.000 0.290 132 G HA3 0.174 4.126 3.960 -0.014 0.000 0.290 132 G C -0.158 174.408 174.900 -0.555 0.000 1.437 132 G CA -0.459 44.426 45.100 -0.359 0.000 0.798 132 G HN -0.103 nan 8.290 nan 0.000 0.488 133 N N -0.787 117.795 118.700 -0.196 0.000 2.387 133 N HA 0.210 4.941 4.740 -0.014 0.000 0.176 133 N C 1.184 176.749 175.510 0.093 0.000 1.022 133 N CA 1.395 54.394 53.050 -0.085 0.000 0.883 133 N CB 1.110 39.620 38.487 0.039 0.000 1.019 133 N HN 0.866 nan 8.380 nan 0.000 0.435 134 G N -0.793 108.130 108.800 0.206 0.000 2.825 134 G HA2 0.180 4.131 3.960 -0.014 0.000 0.100 134 G HA3 0.180 4.131 3.960 -0.014 0.000 0.100 134 G C 0.706 175.718 174.900 0.186 0.000 1.195 134 G CA 0.231 45.487 45.100 0.260 0.000 1.317 134 G HN 0.160 nan 8.290 nan 0.000 0.632 135 G N 0.353 109.216 108.800 0.105 0.000 2.418 135 G HA2 -0.010 3.941 3.960 -0.014 0.000 0.217 135 G HA3 -0.010 3.941 3.960 -0.014 0.000 0.217 135 G C 1.879 176.769 174.900 -0.017 0.000 1.158 135 G CA 1.462 46.582 45.100 0.033 0.000 0.771 135 G HN 0.753 nan 8.290 nan 0.000 0.545 136 L N 0.643 121.841 121.223 -0.041 0.000 2.017 136 L HA 0.102 4.434 4.340 -0.014 0.000 0.208 136 L C 2.829 179.626 176.870 -0.122 0.000 1.073 136 L CA 1.958 56.687 54.840 -0.185 0.000 0.745 136 L CB -0.549 41.371 42.059 -0.231 0.000 0.894 136 L HN 0.226 nan 8.230 nan 0.000 0.432 137 G N -0.609 108.188 108.800 -0.006 0.000 2.408 137 G HA2 -0.297 3.654 3.960 -0.014 0.000 0.217 137 G HA3 -0.297 3.654 3.960 -0.014 0.000 0.217 137 G C 1.669 176.627 174.900 0.097 0.000 1.150 137 G CA 0.671 45.796 45.100 0.040 0.000 0.776 137 G HN 0.281 nan 8.290 nan 0.000 0.542 138 R N 0.302 120.871 120.500 0.115 0.000 2.115 138 R HA 0.139 4.470 4.340 -0.014 0.000 0.226 138 R C 2.300 178.588 176.300 -0.020 0.000 1.100 138 R CA 0.756 56.900 56.100 0.073 0.000 0.980 138 R CB -1.159 29.148 30.300 0.011 0.000 0.875 138 R HN 0.324 nan 8.270 nan 0.000 0.445 139 L N 0.574 121.716 121.223 -0.134 0.000 2.012 139 L HA -0.057 4.274 4.340 -0.014 0.000 0.210 139 L C 2.147 178.712 176.870 -0.508 0.000 1.073 139 L CA 2.312 56.925 54.840 -0.379 0.000 0.748 139 L CB -0.937 40.865 42.059 -0.429 0.000 0.891 139 L HN 0.254 nan 8.230 nan 0.000 0.431 140 A N -0.724 121.937 122.820 -0.264 0.000 1.940 140 A HA -0.162 4.150 4.320 -0.014 0.000 0.219 140 A C 2.432 180.064 177.584 0.081 0.000 1.176 140 A CA 1.935 53.886 52.037 -0.143 0.000 0.631 140 A CB -1.143 17.740 19.000 -0.195 0.000 0.814 140 A HN 0.583 nan 8.150 nan 0.000 0.446 141 A N -1.119 121.783 122.820 0.136 0.000 1.898 141 A HA -0.144 4.167 4.320 -0.014 0.000 0.216 141 A C 2.311 179.966 177.584 0.119 0.000 1.181 141 A CA 1.602 53.747 52.037 0.180 0.000 0.620 141 A CB -1.259 17.834 19.000 0.156 0.000 0.819 141 A HN 0.593 nan 8.150 nan 0.000 0.442 142 C N -1.454 117.913 119.300 0.112 0.000 2.429 142 C HA -0.072 4.379 4.460 -0.014 0.000 0.277 142 C C 2.431 177.581 174.990 0.267 0.000 1.262 142 C CA 0.657 59.782 59.018 0.178 0.000 1.733 142 C CB -1.606 26.252 27.740 0.196 0.000 2.010 142 C HN 0.605 nan 8.230 nan 0.000 0.483 143 F N 1.117 121.049 119.950 -0.030 0.000 2.134 143 F HA -0.065 4.454 4.527 -0.015 0.000 0.299 143 F C 2.247 177.984 175.800 -0.105 0.000 1.097 143 F CA 1.008 58.938 58.000 -0.117 0.000 1.264 143 F CB -1.363 37.426 39.000 -0.352 0.000 1.001 143 F HN 0.194 nan 8.300 nan 0.000 0.479 144 L N -0.387 120.905 121.223 0.115 0.000 2.042 144 L HA -0.259 4.073 4.340 -0.014 0.000 0.210 144 L C 2.168 179.045 176.870 0.012 0.000 1.076 144 L CA 1.988 56.851 54.840 0.038 0.000 0.749 144 L CB -0.785 41.296 42.059 0.036 0.000 0.893 144 L HN 0.105 nan 8.230 nan 0.000 0.432 145 D N -0.486 119.932 120.400 0.030 0.000 2.104 145 D HA -0.180 4.452 4.640 -0.014 0.000 0.194 145 D C 2.204 178.520 176.300 0.027 0.000 0.994 145 D CA 1.558 55.563 54.000 0.009 0.000 0.830 145 D CB 0.196 41.000 40.800 0.007 0.000 0.959 145 D HN 0.083 nan 8.370 nan 0.000 0.452 146 S N -0.767 114.968 115.700 0.059 0.000 2.383 146 S HA -0.102 4.360 4.470 -0.014 0.000 0.227 146 S C 1.987 176.603 174.600 0.027 0.000 1.026 146 S CA 0.834 59.063 58.200 0.048 0.000 0.981 146 S CB -0.215 63.023 63.200 0.063 0.000 0.818 146 S HN 0.338 nan 8.310 nan 0.000 0.472 147 M N 0.949 120.557 119.600 0.014 0.000 2.159 147 M HA -0.097 4.374 4.480 -0.014 0.000 0.263 147 M C 2.443 178.744 176.300 0.001 0.000 1.063 147 M CA 1.419 56.722 55.300 0.006 0.000 1.110 147 M CB -0.486 32.096 32.600 -0.031 0.000 1.374 147 M HN 0.398 nan 8.290 nan 0.000 0.411 148 A N -0.341 122.476 122.820 -0.006 0.000 1.898 148 A HA -0.119 4.192 4.320 -0.014 0.000 0.216 148 A C 2.156 179.754 177.584 0.023 0.000 1.181 148 A CA 2.008 54.045 52.037 -0.000 0.000 0.620 148 A CB -1.054 17.927 19.000 -0.031 0.000 0.819 148 A HN 0.418 nan 8.150 nan 0.000 0.442 149 T N 0.274 114.847 114.554 0.033 0.000 2.915 149 T HA 0.006 4.347 4.350 -0.014 0.000 0.269 149 T C 1.288 176.020 174.700 0.053 0.000 1.071 149 T CA 1.080 63.214 62.100 0.058 0.000 1.132 149 T CB -0.259 68.652 68.868 0.073 0.000 0.878 149 T HN 0.338 nan 8.240 nan 0.000 0.479 150 L N 0.495 121.745 121.223 0.046 0.000 2.653 150 L HA 0.308 4.639 4.340 -0.014 0.000 0.231 150 L C 1.611 178.515 176.870 0.055 0.000 1.153 150 L CA -0.113 54.756 54.840 0.049 0.000 0.933 150 L CB -0.415 41.673 42.059 0.049 0.000 1.175 150 L HN 0.384 nan 8.230 nan 0.000 0.473 151 G N 1.172 110.008 108.800 0.060 0.000 2.283 151 G HA2 -0.291 3.660 3.960 -0.014 0.000 0.280 151 G HA3 -0.291 3.660 3.960 -0.014 0.000 0.280 151 G C 0.134 175.087 174.900 0.088 0.000 1.029 151 G CA 0.101 45.255 45.100 0.090 0.000 0.840 151 G HN 0.299 nan 8.290 nan 0.000 0.505 152 L N -0.174 121.067 121.223 0.030 0.000 2.350 152 L HA 0.590 4.922 4.340 -0.014 0.000 0.275 152 L C 1.277 178.018 176.870 -0.214 0.000 1.099 152 L CA -0.345 54.461 54.840 -0.057 0.000 0.808 152 L CB 1.514 43.551 42.059 -0.037 0.000 1.149 152 L HN 0.253 nan 8.230 nan 0.000 0.442 153 A N 3.110 125.654 122.820 -0.461 0.000 3.026 153 A HA 0.526 4.837 4.320 -0.014 0.000 0.272 153 A C 0.331 177.508 177.584 -0.678 0.000 1.782 153 A CA -0.091 51.354 52.037 -0.988 0.000 1.451 153 A CB -0.762 17.587 19.000 -1.086 0.000 1.081 153 A HN 0.691 nan 8.150 nan 0.000 0.611 154 A N 1.411 123.884 122.820 -0.579 0.000 2.350 154 A HA 0.791 5.102 4.320 -0.014 0.000 0.324 154 A C -1.045 176.223 177.584 -0.526 0.000 1.118 154 A CA -0.468 51.301 52.037 -0.446 0.000 0.783 154 A CB 0.811 19.642 19.000 -0.282 0.000 1.236 154 A HN 0.597 nan 8.150 nan 0.000 0.457 155 Y N 0.399 120.614 120.300 -0.141 0.000 2.373 155 Y HA 0.531 5.073 4.550 -0.014 0.000 0.336 155 Y C 0.861 176.842 175.900 0.135 0.000 0.979 155 Y CA -0.529 57.568 58.100 -0.004 0.000 1.080 155 Y CB 2.359 40.912 38.460 0.156 0.000 1.190 155 Y HN 0.839 nan 8.280 nan 0.000 0.446 156 G N 2.259 111.134 108.800 0.125 0.000 2.353 156 G HA2 0.417 4.368 3.960 -0.014 0.000 0.284 156 G HA3 0.417 4.368 3.960 -0.014 0.000 0.284 156 G C -1.687 173.215 174.900 0.003 0.000 1.172 156 G CA -0.173 45.019 45.100 0.153 0.000 0.854 156 G HN 0.533 nan 8.290 nan 0.000 0.485 157 Y N 0.987 121.513 120.300 0.376 0.000 2.361 157 Y HA 0.626 5.168 4.550 -0.014 0.000 0.337 157 Y C 0.739 176.946 175.900 0.512 0.000 0.965 157 Y CA 0.238 58.528 58.100 0.318 0.000 1.091 157 Y CB 2.692 41.367 38.460 0.359 0.000 1.182 157 Y HN 0.892 nan 8.280 nan 0.000 0.450 158 G N 2.307 111.423 108.800 0.527 0.000 2.664 158 G HA2 0.585 4.536 3.960 -0.014 0.000 0.303 158 G HA3 0.585 4.536 3.960 -0.014 0.000 0.303 158 G C -1.835 173.296 174.900 0.384 0.000 1.243 158 G CA -0.818 44.618 45.100 0.561 0.000 0.826 158 G HN 0.426 nan 8.290 nan 0.000 0.498 159 I N 0.500 121.189 120.570 0.198 0.000 2.474 159 I HA 0.445 4.606 4.170 -0.014 0.000 0.294 159 I C 0.287 176.299 176.117 -0.176 0.000 1.005 159 I CA -0.733 60.575 61.300 0.013 0.000 1.113 159 I CB 2.282 40.124 38.000 -0.263 0.000 1.289 159 I HN 0.363 nan 8.210 nan 0.000 0.436 160 R N 6.007 126.511 120.500 0.008 0.000 2.608 160 R HA 0.231 4.563 4.340 -0.014 0.000 0.277 160 R C -1.263 175.088 176.300 0.085 0.000 1.341 160 R CA -0.433 55.704 56.100 0.062 0.000 1.199 160 R CB -0.034 30.281 30.300 0.025 0.000 1.156 160 R HN 0.398 nan 8.270 nan 0.000 0.558 161 Y N 1.530 121.995 120.300 0.274 0.000 2.511 161 Y HA -0.078 4.463 4.550 -0.015 0.000 0.332 161 Y C 1.587 177.682 175.900 0.326 0.000 1.177 161 Y CA 0.046 58.301 58.100 0.259 0.000 1.422 161 Y CB 0.788 39.373 38.460 0.208 0.000 1.271 161 Y HN 0.590 nan 8.280 nan 0.000 0.550 162 E N 2.173 122.574 120.200 0.335 0.000 2.150 162 E HA -0.074 4.268 4.350 -0.014 0.000 0.193 162 E C -0.738 175.764 176.600 -0.163 0.000 0.985 162 E CA 0.700 57.100 56.400 0.000 0.000 0.814 162 E CB 0.171 29.774 29.700 -0.162 0.000 0.752 162 E HN 0.504 nan 8.360 nan 0.000 0.466 163 F N -0.197 119.979 119.950 0.377 0.000 2.460 163 F HA 0.434 4.952 4.527 -0.015 0.000 0.341 163 F C 0.791 176.686 175.800 0.158 0.000 1.130 163 F CA -0.833 57.344 58.000 0.295 0.000 0.962 163 F CB 1.828 40.929 39.000 0.168 0.000 1.171 163 F HN -0.111 nan 8.300 nan 0.000 0.436 164 G N 1.876 110.785 108.800 0.181 0.000 2.504 164 G HA2 0.322 4.273 3.960 -0.014 0.000 0.257 164 G HA3 0.322 4.273 3.960 -0.014 0.000 0.257 164 G C -0.491 174.357 174.900 -0.088 0.000 1.451 164 G CA -0.650 44.390 45.100 -0.100 0.000 1.059 164 G HN 0.539 nan 8.290 nan 0.000 0.550 165 I N 0.977 121.403 120.570 -0.240 0.000 2.752 165 I HA 0.199 4.360 4.170 -0.014 0.000 0.289 165 I C 0.548 176.548 176.117 -0.196 0.000 1.197 165 I CA -1.111 60.018 61.300 -0.285 0.000 1.432 165 I CB -0.350 37.371 38.000 -0.464 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.224 126.183 119.950 0.014 0.000 2.628 166 F HA 0.210 4.728 4.527 -0.014 0.000 0.362 166 F C 0.573 176.424 175.800 0.085 0.000 1.148 166 F CA -0.564 57.470 58.000 0.056 0.000 1.352 166 F CB -0.401 38.621 39.000 0.037 0.000 1.081 166 F HN 0.424 nan 8.300 nan 0.000 0.605 167 N N 2.420 121.295 118.700 0.292 0.000 2.497 167 N HA 0.022 4.753 4.740 -0.014 0.000 0.271 167 N C -0.692 175.056 175.510 0.397 0.000 1.142 167 N CA -0.216 52.985 53.050 0.252 0.000 0.965 167 N CB 1.085 39.705 38.487 0.222 0.000 1.077 167 N HN 0.753 nan 8.380 nan 0.000 0.462 168 Q N 2.587 122.598 119.800 0.352 0.000 2.296 168 Q HA 0.138 4.469 4.340 -0.014 0.000 0.257 168 Q C -0.918 175.255 176.000 0.288 0.000 0.942 168 Q CA -0.389 55.654 55.803 0.400 0.000 0.939 168 Q CB 0.628 29.610 28.738 0.407 0.000 1.198 168 Q HN 0.219 nan 8.270 nan 0.000 0.429 169 K N 4.262 124.806 120.400 0.240 0.000 2.164 169 K HA 0.458 4.769 4.320 -0.014 0.000 0.258 169 K C -0.502 176.200 176.600 0.170 0.000 0.951 169 K CA -0.844 55.561 56.287 0.197 0.000 0.844 169 K CB 1.496 34.091 32.500 0.157 0.000 1.099 169 K HN 0.627 nan 8.250 nan 0.000 0.435 170 I N 2.659 123.322 120.570 0.156 0.000 2.330 170 I HA 0.201 4.362 4.170 -0.014 0.000 0.289 170 I C -0.287 175.891 176.117 0.101 0.000 1.001 170 I CA -0.622 60.740 61.300 0.103 0.000 1.193 170 I CB 0.668 38.709 38.000 0.068 0.000 1.345 170 I HN 0.406 nan 8.210 nan 0.000 0.461 171 C N 3.992 123.361 119.300 0.115 0.000 2.346 171 C HA 0.588 5.040 4.460 -0.014 0.000 0.326 171 C C 1.131 176.222 174.990 0.169 0.000 1.224 171 C CA -0.532 58.559 59.018 0.121 0.000 1.408 171 C CB 0.527 28.334 27.740 0.112 0.000 2.089 171 C HN 1.090 nan 8.230 nan 0.000 0.456 172 G N 2.339 111.210 108.800 0.118 0.000 2.225 172 G HA2 0.126 4.077 3.960 -0.014 0.000 0.267 172 G HA3 0.126 4.077 3.960 -0.014 0.000 0.267 172 G C 1.091 175.984 174.900 -0.012 0.000 1.024 172 G CA 0.978 46.150 45.100 0.120 0.000 0.784 172 G HN 2.409 nan 8.290 nan 0.000 0.507 173 G N -2.852 105.892 108.800 -0.095 0.000 2.179 173 G HA2 -0.297 3.654 3.960 -0.014 0.000 0.260 173 G HA3 -0.297 3.654 3.960 -0.014 0.000 0.260 173 G C 0.368 175.009 174.900 -0.431 0.000 0.977 173 G CA 0.630 45.550 45.100 -0.301 0.000 0.641 173 G HN 1.187 nan 8.290 nan 0.000 0.533 174 W N 0.912 122.161 121.300 -0.085 0.000 2.496 174 W HA 0.645 5.297 4.660 -0.014 0.000 0.327 174 W C 0.679 177.146 176.519 -0.088 0.000 1.086 174 W CA -0.904 56.385 57.345 -0.094 0.000 1.222 174 W CB 0.865 30.288 29.460 -0.063 0.000 1.304 174 W HN 0.251 nan 8.180 nan 0.000 0.547 175 Q N 3.435 123.334 119.800 0.165 0.000 2.289 175 Q HA 0.171 4.502 4.340 -0.014 0.000 0.273 175 Q C -0.534 175.525 176.000 0.098 0.000 1.029 175 Q CA 0.222 56.091 55.803 0.109 0.000 0.896 175 Q CB 0.508 29.301 28.738 0.093 0.000 1.182 175 Q HN 0.312 nan 8.270 nan 0.000 0.385 176 M N 3.201 122.854 119.600 0.088 0.000 2.456 176 M HA 0.388 4.860 4.480 -0.014 0.000 0.324 176 M C -1.011 175.302 176.300 0.021 0.000 1.124 176 M CA -0.677 54.643 55.300 0.033 0.000 0.959 176 M CB 1.721 34.354 32.600 0.055 0.000 1.692 176 M HN 0.592 nan 8.290 nan 0.000 0.444 177 E N 1.671 121.812 120.200 -0.098 0.000 2.191 177 E HA 0.450 4.791 4.350 -0.014 0.000 0.278 177 E C -0.742 175.858 176.600 0.001 0.000 0.972 177 E CA -0.568 55.745 56.400 -0.145 0.000 0.804 177 E CB 1.541 30.883 29.700 -0.597 0.000 1.110 177 E HN 0.523 nan 8.360 nan 0.000 0.394 178 E N 0.942 121.224 120.200 0.136 0.000 2.288 178 E HA 0.718 5.059 4.350 -0.014 0.000 0.268 178 E C -1.033 175.670 176.600 0.171 0.000 0.885 178 E CA -1.519 54.950 56.400 0.116 0.000 0.767 178 E CB 1.479 31.253 29.700 0.122 0.000 1.220 178 E HN 0.450 nan 8.360 nan 0.000 0.427 179 A N 2.272 125.153 122.820 0.102 0.000 2.567 179 A HA 0.030 4.341 4.320 -0.014 0.000 0.240 179 A C -0.070 177.702 177.584 0.313 0.000 1.053 179 A CA 0.295 52.411 52.037 0.132 0.000 0.755 179 A CB -0.115 18.832 19.000 -0.088 0.000 0.978 179 A HN 0.719 nan 8.150 nan 0.000 0.507 180 D N 1.868 122.513 120.400 0.408 0.000 2.483 180 D HA 0.184 4.815 4.640 -0.014 0.000 0.220 180 D C -0.366 176.249 176.300 0.524 0.000 1.173 180 D CA -0.181 54.053 54.000 0.389 0.000 0.964 180 D CB 0.325 41.282 40.800 0.261 0.000 1.046 180 D HN 0.379 nan 8.370 nan 0.000 0.517 181 D N 3.837 124.505 120.400 0.447 0.000 2.801 181 D HA -0.024 4.608 4.640 -0.014 0.000 0.232 181 D C 1.091 177.498 176.300 0.178 0.000 1.128 181 D CA -0.519 53.639 54.000 0.264 0.000 1.003 181 D CB -0.204 40.761 40.800 0.276 0.000 1.110 181 D HN 0.566 nan 8.370 nan 0.000 0.477 182 W N 1.502 122.818 121.300 0.026 0.000 2.611 182 W HA -0.027 4.624 4.660 -0.014 0.000 0.251 182 W C 0.073 176.637 176.519 0.075 0.000 1.265 182 W CA 0.090 57.480 57.345 0.075 0.000 1.295 182 W CB -0.698 28.810 29.460 0.080 0.000 1.129 182 W HN 0.176 nan 8.180 nan 0.000 0.630 183 L N 0.921 121.769 121.223 -0.626 0.000 2.607 183 L HA 0.191 4.522 4.340 -0.014 0.000 0.228 183 L C 2.756 179.448 176.870 -0.297 0.000 1.123 183 L CA -0.064 54.373 54.840 -0.671 0.000 0.890 183 L CB -0.555 40.977 42.059 -0.877 0.000 1.103 183 L HN -0.117 nan 8.230 nan 0.000 0.468 184 R N 0.620 121.006 120.500 -0.189 0.000 2.113 184 R HA -0.237 4.095 4.340 -0.014 0.000 0.244 184 R C 1.402 177.539 176.300 -0.272 0.000 1.142 184 R CA 2.146 58.108 56.100 -0.230 0.000 0.953 184 R CB -0.226 29.924 30.300 -0.250 0.000 0.860 184 R HN 0.300 nan 8.270 nan 0.000 0.438 185 Y N -0.333 119.980 120.300 0.022 0.000 2.466 185 Y HA 0.307 4.848 4.550 -0.014 0.000 0.272 185 Y C 0.890 176.785 175.900 -0.008 0.000 1.169 185 Y CA 0.518 58.648 58.100 0.050 0.000 1.285 185 Y CB 0.776 39.383 38.460 0.244 0.000 1.078 185 Y HN 0.471 nan 8.280 nan 0.000 0.523 186 G N 1.224 110.066 108.800 0.070 0.000 2.699 186 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.686 186 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.686 186 G C -1.253 173.713 174.900 0.111 0.000 1.301 186 G CA -0.792 44.312 45.100 0.007 0.000 0.816 186 G HN 0.250 nan 8.290 nan 0.000 0.595 187 N N 1.073 119.785 118.700 0.021 0.000 2.524 187 N HA 0.583 5.314 4.740 -0.014 0.000 0.261 187 N C -0.707 174.808 175.510 0.008 0.000 0.998 187 N CA -1.984 51.099 53.050 0.056 0.000 0.915 187 N CB 2.092 40.542 38.487 -0.063 0.000 1.187 187 N HN 0.227 nan 8.380 nan 0.000 0.507 188 P HA 0.010 nan 4.420 nan 0.000 0.229 188 P C 0.674 177.659 177.300 -0.524 0.000 1.160 188 P CA 0.792 63.578 63.100 -0.523 0.000 0.777 188 P CB 0.124 31.200 31.700 -1.042 0.000 0.814 189 W N 1.871 123.181 121.300 0.017 0.000 2.576 189 W HA 0.038 4.689 4.660 -0.014 0.000 0.270 189 W C 1.292 177.851 176.519 0.066 0.000 1.255 189 W CA -0.317 57.033 57.345 0.009 0.000 1.314 189 W CB -0.256 29.213 29.460 0.015 0.000 1.101 189 W HN 0.003 nan 8.180 nan 0.000 0.595 190 E N 1.760 122.139 120.200 0.298 0.000 2.313 190 E HA 0.297 4.638 4.350 -0.014 0.000 0.272 190 E C -0.637 176.136 176.600 0.288 0.000 1.038 190 E CA -0.730 55.857 56.400 0.312 0.000 0.863 190 E CB 1.331 31.231 29.700 0.333 0.000 1.060 190 E HN -0.315 nan 8.360 nan 0.000 0.402 191 K N 1.878 122.460 120.400 0.303 0.000 2.483 191 K HA 0.408 4.719 4.320 -0.014 0.000 0.256 191 K C -1.108 175.504 176.600 0.021 0.000 0.961 191 K CA -0.498 55.893 56.287 0.173 0.000 0.873 191 K CB 1.471 34.067 32.500 0.160 0.000 1.107 191 K HN 0.658 nan 8.250 nan 0.000 0.432 192 A N 4.376 127.114 122.820 -0.137 0.000 2.511 192 A HA 0.274 4.586 4.320 -0.014 0.000 0.242 192 A C -0.249 177.152 177.584 -0.305 0.000 1.069 192 A CA -0.038 51.636 52.037 -0.605 0.000 0.763 192 A CB 0.176 18.826 19.000 -0.584 0.000 1.001 192 A HN 0.675 nan 8.150 nan 0.000 0.498 193 R N 3.450 123.773 120.500 -0.294 0.000 2.983 193 R HA 0.204 4.536 4.340 -0.014 0.000 0.300 193 R C -2.321 173.988 176.300 0.014 0.000 1.367 193 R CA -1.797 54.279 56.100 -0.040 0.000 1.564 193 R CB 0.586 30.928 30.300 0.071 0.000 1.314 193 R HN 0.566 nan 8.270 nan 0.000 0.622 194 P HA -0.183 nan 4.420 nan 0.000 0.221 194 P C 0.917 178.222 177.300 0.007 0.000 1.145 194 P CA 1.121 64.216 63.100 -0.008 0.000 0.795 194 P CB 0.389 32.073 31.700 -0.027 0.000 0.775 195 E N -0.310 119.865 120.200 -0.041 0.000 2.347 195 E HA -0.121 4.220 4.350 -0.014 0.000 0.196 195 E C 0.764 177.206 176.600 -0.263 0.000 1.008 195 E CA 0.772 57.065 56.400 -0.178 0.000 0.852 195 E CB -0.885 28.636 29.700 -0.298 0.000 0.783 195 E HN 0.280 nan 8.360 nan 0.000 0.505 196 F N 2.050 122.016 119.950 0.026 0.000 2.730 196 F HA 0.231 4.750 4.527 -0.014 0.000 0.295 196 F C 0.386 176.283 175.800 0.162 0.000 1.143 196 F CA -0.217 57.830 58.000 0.078 0.000 1.367 196 F CB 0.441 39.479 39.000 0.064 0.000 0.970 196 F HN -0.283 nan 8.300 nan 0.000 0.514 197 T N 2.533 117.230 114.554 0.239 0.000 2.916 197 T HA 0.319 4.660 4.350 -0.014 0.000 0.303 197 T C -0.291 174.511 174.700 0.171 0.000 1.025 197 T CA 0.224 62.466 62.100 0.237 0.000 1.142 197 T CB 0.756 69.717 68.868 0.156 0.000 0.947 197 T HN -0.169 nan 8.240 nan 0.000 0.544 198 L N 5.827 127.128 121.223 0.130 0.000 2.381 198 L HA 0.531 4.863 4.340 -0.014 0.000 0.268 198 L C -2.206 174.624 176.870 -0.067 0.000 0.997 198 L CA -2.545 52.295 54.840 0.002 0.000 0.818 198 L CB 1.897 43.891 42.059 -0.109 0.000 1.310 198 L HN 0.380 nan 8.230 nan 0.000 0.416 199 P HA 0.306 nan 4.420 nan 0.000 0.279 199 P C -1.106 176.060 177.300 -0.223 0.000 1.239 199 P CA -0.286 62.725 63.100 -0.148 0.000 0.789 199 P CB 1.517 33.118 31.700 -0.166 0.000 0.933 200 V N 4.071 123.840 119.914 -0.243 0.000 2.604 200 V HA 0.328 4.439 4.120 -0.014 0.000 0.305 200 V C 0.193 176.062 176.094 -0.375 0.000 1.043 200 V CA -0.613 61.526 62.300 -0.267 0.000 0.888 200 V CB 1.447 33.162 31.823 -0.180 0.000 0.995 200 V HN 0.600 nan 8.190 nan 0.000 0.429 201 H N 3.816 122.714 119.070 -0.286 0.000 2.472 201 H HA 0.625 5.173 4.556 -0.014 0.000 0.338 201 H C -1.315 173.729 175.328 -0.472 0.000 1.133 201 H CA -0.161 55.653 56.048 -0.391 0.000 1.216 201 H CB 1.945 31.256 29.762 -0.751 0.000 1.497 201 H HN 0.482 nan 8.280 nan 0.000 0.500 202 F N 0.407 120.416 119.950 0.097 0.000 2.613 202 F HA 0.211 4.729 4.527 -0.015 0.000 0.314 202 F C -0.252 175.655 175.800 0.178 0.000 1.075 202 F CA -0.534 57.517 58.000 0.086 0.000 0.945 202 F CB 1.106 40.045 39.000 -0.101 0.000 1.310 202 F HN 0.563 nan 8.300 nan 0.000 0.467 203 Y N 0.193 120.788 120.300 0.491 0.000 2.896 203 Y HA -0.028 4.514 4.550 -0.014 0.000 0.466 203 Y C 1.406 177.556 175.900 0.418 0.000 1.197 203 Y CA 0.646 58.954 58.100 0.347 0.000 2.513 203 Y CB -1.945 36.647 38.460 0.219 0.000 1.232 203 Y HN 1.284 nan 8.280 nan 0.000 0.632 204 G N 0.794 109.867 108.800 0.454 0.000 2.598 204 G HA2 0.064 4.015 3.960 -0.014 0.000 0.244 204 G HA3 0.064 4.015 3.960 -0.014 0.000 0.244 204 G C -0.543 174.571 174.900 0.356 0.000 1.302 204 G CA 1.006 46.291 45.100 0.309 0.000 0.903 204 G HN 1.361 nan 8.290 nan 0.000 0.575 205 R N -2.535 118.173 120.500 0.346 0.000 2.734 205 R HA 0.674 5.005 4.340 -0.014 0.000 0.271 205 R C -1.316 175.132 176.300 0.247 0.000 1.021 205 R CA -1.027 55.224 56.100 0.252 0.000 0.893 205 R CB 1.361 31.753 30.300 0.152 0.000 1.244 205 R HN 0.823 nan 8.270 nan 0.000 0.464 206 V N 1.069 121.043 119.914 0.101 0.000 2.407 206 V HA 0.306 4.418 4.120 -0.014 0.000 0.278 206 V C -0.084 175.961 176.094 -0.082 0.000 1.037 206 V CA -0.369 61.915 62.300 -0.027 0.000 0.900 206 V CB 1.195 32.928 31.823 -0.150 0.000 0.983 206 V HN 0.718 nan 8.190 nan 0.000 0.459 207 E N 3.150 123.281 120.200 -0.115 0.000 2.158 207 E HA 0.386 4.728 4.350 -0.014 0.000 0.271 207 E C -0.943 175.538 176.600 -0.198 0.000 0.911 207 E CA -0.689 55.661 56.400 -0.083 0.000 0.767 207 E CB 0.869 30.564 29.700 -0.008 0.000 1.120 207 E HN 0.709 nan 8.360 nan 0.000 0.405 208 H N 2.485 121.572 119.070 0.028 0.000 2.552 208 H HA 0.189 4.736 4.556 -0.014 0.000 0.311 208 H C 0.288 175.626 175.328 0.017 0.000 1.071 208 H CA -0.226 55.833 56.048 0.018 0.000 1.307 208 H CB 1.323 31.091 29.762 0.010 0.000 1.416 208 H HN 0.573 nan 8.280 nan 0.000 0.464 209 T N -0.666 113.951 114.554 0.105 0.000 2.889 209 T HA 0.187 4.528 4.350 -0.014 0.000 0.278 209 T C 1.470 176.210 174.700 0.067 0.000 0.995 209 T CA -0.706 61.435 62.100 0.068 0.000 0.966 209 T CB 1.125 70.017 68.868 0.039 0.000 1.237 209 T HN 0.368 nan 8.240 nan 0.000 0.591 210 S N 0.732 116.459 115.700 0.044 0.000 2.370 210 S HA -0.103 4.359 4.470 -0.014 0.000 0.226 210 S C 1.236 175.858 174.600 0.037 0.000 1.033 210 S CA 1.406 59.627 58.200 0.035 0.000 1.011 210 S CB -0.544 62.672 63.200 0.026 0.000 0.852 210 S HN 0.856 nan 8.310 nan 0.000 0.457 211 Q N 0.830 120.651 119.800 0.035 0.000 2.901 211 Q HA 0.572 4.903 4.340 -0.014 0.000 0.265 211 Q C 0.399 176.423 176.000 0.039 0.000 1.263 211 Q CA -0.289 55.534 55.803 0.034 0.000 1.088 211 Q CB 0.139 28.893 28.738 0.026 0.000 1.339 211 Q HN 0.252 nan 8.270 nan 0.000 0.546 212 G N 0.840 109.674 108.800 0.057 0.000 2.796 212 G HA2 -0.046 3.906 3.960 -0.014 0.000 0.571 212 G HA3 -0.046 3.906 3.960 -0.014 0.000 0.571 212 G C -0.510 174.426 174.900 0.059 0.000 1.370 212 G CA -0.623 44.519 45.100 0.069 0.000 0.856 212 G HN 0.984 nan 8.290 nan 0.000 0.538 213 A N 0.113 122.951 122.820 0.031 0.000 2.322 213 A HA 0.715 5.027 4.320 -0.014 0.000 0.269 213 A C 0.475 178.011 177.584 -0.080 0.000 1.094 213 A CA 0.307 52.275 52.037 -0.115 0.000 0.807 213 A CB 0.608 19.498 19.000 -0.182 0.000 1.047 213 A HN 0.769 nan 8.150 nan 0.000 0.487 214 K N 0.855 121.196 120.400 -0.099 0.000 2.443 214 K HA 0.200 4.512 4.320 -0.014 0.000 0.252 214 K C -1.840 174.794 176.600 0.057 0.000 0.933 214 K CA -0.336 55.943 56.287 -0.014 0.000 0.792 214 K CB 2.218 34.712 32.500 -0.011 0.000 1.185 214 K HN 0.736 nan 8.250 nan 0.000 0.425 215 W N 5.255 126.472 121.300 -0.137 0.000 2.308 215 W HA 0.357 5.008 4.660 -0.015 0.000 0.311 215 W C -0.639 175.819 176.519 -0.100 0.000 1.088 215 W CA -0.803 56.468 57.345 -0.123 0.000 1.309 215 W CB 0.209 29.582 29.460 -0.144 0.000 1.229 215 W HN 0.329 nan 8.180 nan 0.000 0.427 216 V N 2.882 122.840 119.914 0.072 0.000 3.126 216 V HA 0.613 4.724 4.120 -0.014 0.000 0.314 216 V C -0.224 175.845 176.094 -0.041 0.000 1.138 216 V CA -0.971 61.300 62.300 -0.047 0.000 1.034 216 V CB 2.013 33.840 31.823 0.007 0.000 1.075 216 V HN 0.467 nan 8.190 nan 0.000 0.442 217 D N 0.323 120.701 120.400 -0.037 0.000 2.772 217 D HA -0.137 4.495 4.640 -0.014 0.000 0.233 217 D C 0.525 176.830 176.300 0.009 0.000 1.143 217 D CA 1.516 55.519 54.000 0.004 0.000 0.700 217 D CB -1.659 39.166 40.800 0.042 0.000 1.076 217 D HN 1.309 nan 8.370 nan 0.000 0.430 218 T N -2.744 111.769 114.554 -0.068 0.000 2.899 218 T HA 0.489 4.830 4.350 -0.014 0.000 0.284 218 T C 0.480 175.224 174.700 0.073 0.000 1.004 218 T CA -0.767 61.304 62.100 -0.049 0.000 1.043 218 T CB 1.995 70.681 68.868 -0.303 0.000 1.013 218 T HN 0.042 nan 8.240 nan 0.000 0.518 219 Q N 0.579 120.486 119.800 0.178 0.000 2.235 219 Q HA 0.575 4.907 4.340 -0.014 0.000 0.250 219 Q C -0.956 175.133 176.000 0.149 0.000 0.909 219 Q CA -0.892 55.024 55.803 0.187 0.000 0.910 219 Q CB 1.849 30.765 28.738 0.297 0.000 1.223 219 Q HN 0.508 nan 8.270 nan 0.000 0.432 220 V N 2.927 122.874 119.914 0.056 0.000 2.459 220 V HA 0.398 4.509 4.120 -0.014 0.000 0.295 220 V C -0.360 175.776 176.094 0.069 0.000 1.029 220 V CA -0.683 61.577 62.300 -0.067 0.000 0.874 220 V CB 1.723 33.440 31.823 -0.176 0.000 0.985 220 V HN 0.491 nan 8.190 nan 0.000 0.438 221 V N 5.909 125.909 119.914 0.145 0.000 2.555 221 V HA 0.484 4.596 4.120 -0.014 0.000 0.302 221 V C -0.083 176.120 176.094 0.182 0.000 1.038 221 V CA -0.665 61.756 62.300 0.203 0.000 0.887 221 V CB 1.907 33.927 31.823 0.328 0.000 0.991 221 V HN 0.633 nan 8.190 nan 0.000 0.434 222 L N 3.556 124.884 121.223 0.175 0.000 2.350 222 L HA 0.695 5.027 4.340 -0.014 0.000 0.275 222 L C 0.475 177.548 176.870 0.337 0.000 1.099 222 L CA -0.285 54.660 54.840 0.175 0.000 0.808 222 L CB 1.274 43.414 42.059 0.136 0.000 1.149 222 L HN 0.764 nan 8.230 nan 0.000 0.442 223 A N 5.265 128.229 122.820 0.241 0.000 2.267 223 A HA 0.561 4.872 4.320 -0.014 0.000 0.315 223 A C -0.462 177.408 177.584 0.477 0.000 1.297 223 A CA -0.471 51.741 52.037 0.292 0.000 0.865 223 A CB 0.870 19.577 19.000 -0.488 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.812 125.756 119.600 0.573 0.000 2.129 224 M HA 0.446 4.917 4.480 -0.014 0.000 0.348 224 M C -2.589 174.002 176.300 0.485 0.000 1.116 224 M CA -2.165 53.415 55.300 0.467 0.000 1.022 224 M CB 1.944 34.744 32.600 0.334 0.000 1.599 224 M HN 0.331 nan 8.290 nan 0.000 0.449 225 P HA 0.245 nan 4.420 nan 0.000 0.284 225 P C -1.918 175.322 177.300 -0.100 0.000 1.253 225 P CA 0.014 63.013 63.100 -0.169 0.000 0.800 225 P CB 0.461 31.858 31.700 -0.505 0.000 0.961 226 Y N 0.698 120.922 120.300 -0.126 0.000 2.350 226 Y HA 0.329 4.871 4.550 -0.015 0.000 0.338 226 Y C 0.264 176.127 175.900 -0.060 0.000 0.961 226 Y CA -0.300 57.782 58.100 -0.030 0.000 1.100 226 Y CB 1.266 39.750 38.460 0.040 0.000 1.179 226 Y HN 0.224 nan 8.280 nan 0.000 0.454 227 D N 1.938 122.416 120.400 0.130 0.000 2.193 227 D HA 0.394 5.025 4.640 -0.014 0.000 0.244 227 D C -0.578 175.938 176.300 0.359 0.000 1.064 227 D CA -0.207 53.910 54.000 0.195 0.000 0.845 227 D CB 1.704 42.625 40.800 0.201 0.000 1.148 227 D HN 0.378 nan 8.370 nan 0.000 0.464 228 T N 3.136 117.810 114.554 0.200 0.000 2.807 228 T HA 0.472 4.813 4.350 -0.014 0.000 0.279 228 T C -2.527 171.999 174.700 -0.291 0.000 0.993 228 T CA -1.511 60.605 62.100 0.028 0.000 0.970 228 T CB 2.030 70.905 68.868 0.012 0.000 0.950 228 T HN 0.161 nan 8.240 nan 0.000 0.441 229 P HA 0.305 nan 4.420 nan 0.000 0.275 229 P C -0.973 175.975 177.300 -0.587 0.000 1.227 229 P CA -0.390 61.979 63.100 -1.218 0.000 0.781 229 P CB 0.776 31.562 31.700 -1.522 0.000 0.906 230 V N 5.570 125.209 119.914 -0.458 0.000 2.284 230 V HA 0.259 4.370 4.120 -0.014 0.000 0.274 230 V C -2.052 173.900 176.094 -0.236 0.000 1.023 230 V CA -1.962 60.166 62.300 -0.286 0.000 0.808 230 V CB 1.278 32.983 31.823 -0.197 0.000 1.035 230 V HN 0.535 nan 8.190 nan 0.000 0.445 231 P HA 0.250 nan 4.420 nan 0.000 0.280 231 P C 0.401 177.646 177.300 -0.092 0.000 1.244 231 P CA 0.291 63.296 63.100 -0.158 0.000 0.784 231 P CB 1.418 33.023 31.700 -0.159 0.000 0.913 232 G N 2.255 111.021 108.800 -0.058 0.000 2.606 232 G HA2 0.109 4.060 3.960 -0.014 0.000 0.252 232 G HA3 0.109 4.060 3.960 -0.014 0.000 0.252 232 G C -1.114 173.795 174.900 0.015 0.000 1.206 232 G CA -0.550 44.546 45.100 -0.007 0.000 0.861 232 G HN 0.520 nan 8.290 nan 0.000 0.561 233 Y N 0.703 120.964 120.300 -0.065 0.000 2.624 233 Y HA 0.259 4.800 4.550 -0.015 0.000 0.354 233 Y C 1.191 177.053 175.900 -0.063 0.000 1.051 233 Y CA -0.288 57.770 58.100 -0.072 0.000 1.377 233 Y CB 0.058 38.475 38.460 -0.072 0.000 1.168 233 Y HN 0.704 nan 8.280 nan 0.000 0.525 234 R N 3.010 123.212 120.500 -0.496 0.000 3.502 234 R HA -0.315 4.016 4.340 -0.014 0.000 0.266 234 R C -0.022 176.133 176.300 -0.242 0.000 1.077 234 R CA 1.433 57.260 56.100 -0.454 0.000 0.718 234 R CB -1.866 27.998 30.300 -0.726 0.000 1.120 234 R HN 0.949 nan 8.270 nan 0.000 0.457 235 N N -1.476 117.137 118.700 -0.144 0.000 2.170 235 N HA 0.064 4.796 4.740 -0.014 0.000 0.222 235 N C -0.155 175.311 175.510 -0.074 0.000 1.218 235 N CA -0.366 52.633 53.050 -0.084 0.000 0.889 235 N CB 0.547 39.011 38.487 -0.038 0.000 1.083 235 N HN 0.090 nan 8.380 nan 0.000 0.520 236 N N -0.243 118.407 118.700 -0.082 0.000 2.815 236 N HA -0.138 4.593 4.740 -0.014 0.000 0.247 236 N C -0.847 174.627 175.510 -0.059 0.000 1.030 236 N CA 0.657 53.667 53.050 -0.066 0.000 0.881 236 N CB -1.284 37.164 38.487 -0.065 0.000 1.134 236 N HN 0.199 nan 8.380 nan 0.000 0.582 237 V N 1.341 121.224 119.914 -0.052 0.000 2.461 237 V HA 0.348 4.459 4.120 -0.014 0.000 0.275 237 V C 0.631 176.699 176.094 -0.042 0.000 1.047 237 V CA -0.375 61.904 62.300 -0.035 0.000 0.955 237 V CB 1.920 33.749 31.823 0.009 0.000 0.988 237 V HN -0.024 nan 8.190 nan 0.000 0.471 238 V N 5.586 125.480 119.914 -0.034 0.000 2.409 238 V HA 0.444 4.555 4.120 -0.014 0.000 0.290 238 V C -0.057 176.031 176.094 -0.010 0.000 1.017 238 V CA -0.851 61.399 62.300 -0.084 0.000 0.841 238 V CB 1.487 33.231 31.823 -0.132 0.000 1.003 238 V HN 0.834 nan 8.190 nan 0.000 0.426 239 N N 1.974 120.637 118.700 -0.062 0.000 2.448 239 N HA 0.566 5.297 4.740 -0.014 0.000 0.274 239 N C -0.068 175.426 175.510 -0.027 0.000 1.239 239 N CA -0.313 52.726 53.050 -0.019 0.000 0.982 239 N CB 1.334 39.768 38.487 -0.089 0.000 1.199 239 N HN 0.584 nan 8.380 nan 0.000 0.576 240 T N 0.803 115.360 114.554 0.006 0.000 2.829 240 T HA 0.392 4.734 4.350 -0.014 0.000 0.280 240 T C -0.167 174.498 174.700 -0.058 0.000 0.999 240 T CA -0.499 61.674 62.100 0.122 0.000 0.983 240 T CB 0.976 70.036 68.868 0.319 0.000 0.968 240 T HN 0.290 nan 8.240 nan 0.000 0.446 241 M N 3.825 123.349 119.600 -0.127 0.000 2.101 241 M HA 0.477 4.949 4.480 -0.014 0.000 0.340 241 M C -0.404 175.730 176.300 -0.277 0.000 1.057 241 M CA -0.746 54.384 55.300 -0.282 0.000 0.984 241 M CB 0.617 32.992 32.600 -0.375 0.000 1.560 241 M HN 0.478 nan 8.290 nan 0.000 0.435 242 R N 6.013 126.227 120.500 -0.477 0.000 2.229 242 R HA 0.590 4.921 4.340 -0.014 0.000 0.332 242 R C -1.910 174.061 176.300 -0.549 0.000 0.989 242 R CA -0.405 55.352 56.100 -0.572 0.000 0.842 242 R CB 0.760 30.518 30.300 -0.904 0.000 1.119 242 R HN 0.807 nan 8.270 nan 0.000 0.456 243 L N 5.203 126.229 121.223 -0.330 0.000 2.313 243 L HA 0.482 4.814 4.340 -0.014 0.000 0.283 243 L C -0.769 176.050 176.870 -0.086 0.000 1.013 243 L CA -0.903 53.848 54.840 -0.148 0.000 0.816 243 L CB 1.401 43.465 42.059 0.008 0.000 1.236 243 L HN 0.581 nan 8.230 nan 0.000 0.419 244 W N 2.006 123.420 121.300 0.190 0.000 2.315 244 W HA 0.437 5.089 4.660 -0.014 0.000 0.316 244 W C 0.587 177.337 176.519 0.385 0.000 1.211 244 W CA -0.144 57.341 57.345 0.233 0.000 1.201 244 W CB 1.427 30.879 29.460 -0.014 0.000 1.184 244 W HN 0.348 nan 8.180 nan 0.000 0.544 245 S N 1.972 118.087 115.700 0.691 0.000 2.472 245 S HA 0.758 5.220 4.470 -0.014 0.000 0.303 245 S C -0.359 174.604 174.600 0.604 0.000 1.099 245 S CA -0.718 57.800 58.200 0.529 0.000 1.077 245 S CB 0.589 64.038 63.200 0.415 0.000 1.031 245 S HN 0.514 nan 8.310 nan 0.000 0.487 246 A N 4.840 127.852 122.820 0.320 0.000 2.366 246 A HA 0.624 4.935 4.320 -0.014 0.000 0.272 246 A C -0.094 177.587 177.584 0.161 0.000 1.135 246 A CA -0.244 51.869 52.037 0.127 0.000 0.804 246 A CB 0.347 19.134 19.000 -0.355 0.000 1.064 246 A HN 0.664 nan 8.150 nan 0.000 0.499 247 K N 1.227 121.742 120.400 0.191 0.000 2.427 247 K HA 0.578 4.889 4.320 -0.014 0.000 0.252 247 K C -0.458 176.209 176.600 0.110 0.000 0.931 247 K CA -0.419 55.956 56.287 0.146 0.000 0.793 247 K CB 2.202 34.804 32.500 0.170 0.000 1.211 247 K HN 0.854 nan 8.250 nan 0.000 0.426 248 A N 4.520 127.385 122.820 0.075 0.000 2.425 248 A HA 0.396 4.707 4.320 -0.014 0.000 0.249 248 A C -2.055 175.563 177.584 0.056 0.000 1.084 248 A CA -0.878 51.194 52.037 0.058 0.000 0.781 248 A CB -0.361 18.661 19.000 0.036 0.000 1.019 248 A HN 0.358 nan 8.150 nan 0.000 0.490 249 P HA 0.123 nan 4.420 nan 0.000 0.272 249 P C 0.043 177.362 177.300 0.032 0.000 1.230 249 P CA -0.434 62.688 63.100 0.037 0.000 0.788 249 P CB 0.614 32.329 31.700 0.024 0.000 0.949 250 N N 0.116 118.835 118.700 0.031 0.000 2.396 250 N HA -0.065 4.667 4.740 -0.014 0.000 0.180 250 N C 0.624 176.152 175.510 0.032 0.000 1.028 250 N CA 0.924 53.993 53.050 0.031 0.000 0.893 250 N CB -0.303 38.203 38.487 0.032 0.000 0.967 250 N HN 0.605 nan 8.380 nan 0.000 0.440 262 Y N 1.992 122.295 120.300 0.004 0.000 2.097 262 Y HA -0.042 4.500 4.550 -0.014 0.000 0.282 262 Y C 2.686 178.589 175.900 0.006 0.000 1.152 262 Y CA 2.253 60.356 58.100 0.005 0.000 1.136 262 Y CB -0.142 38.321 38.460 0.005 0.000 0.975 262 Y HN 0.189 nan 8.280 nan 0.000 0.498 263 I N 0.431 120.948 120.570 -0.088 0.000 2.127 263 I HA -0.302 3.860 4.170 -0.014 0.000 0.241 263 I C 2.391 178.404 176.117 -0.173 0.000 1.075 263 I CA 1.788 62.982 61.300 -0.176 0.000 1.334 263 I CB -1.476 36.523 38.000 -0.001 0.000 1.040 263 I HN 0.330 nan 8.210 nan 0.000 0.405 264 Q N 1.066 120.813 119.800 -0.089 0.000 2.096 264 Q HA -0.126 4.205 4.340 -0.014 0.000 0.204 264 Q C 2.255 178.201 176.000 -0.089 0.000 0.982 264 Q CA 2.285 58.047 55.803 -0.068 0.000 0.850 264 Q CB -0.376 28.344 28.738 -0.031 0.000 0.901 264 Q HN 0.483 nan 8.270 nan 0.000 0.422 265 A N -0.792 121.962 122.820 -0.109 0.000 1.908 265 A HA -0.155 4.156 4.320 -0.014 0.000 0.218 265 A C 2.257 179.759 177.584 -0.136 0.000 1.181 265 A CA 1.734 53.711 52.037 -0.100 0.000 0.627 265 A CB -0.827 18.127 19.000 -0.078 0.000 0.818 265 A HN 0.271 nan 8.150 nan 0.000 0.445 266 V N 0.147 119.915 119.914 -0.244 0.000 2.358 266 V HA -0.235 3.876 4.120 -0.014 0.000 0.246 266 V C 2.514 178.535 176.094 -0.122 0.000 1.047 266 V CA 1.860 64.030 62.300 -0.218 0.000 1.035 266 V CB -0.766 30.849 31.823 -0.348 0.000 0.658 266 V HN 0.574 nan 8.190 nan 0.000 0.452 267 L N -0.179 120.977 121.223 -0.111 0.000 2.191 267 L HA -0.157 4.174 4.340 -0.014 0.000 0.212 267 L C 2.035 178.879 176.870 -0.042 0.000 1.103 267 L CA 1.211 56.013 54.840 -0.062 0.000 0.769 267 L CB -0.669 41.358 42.059 -0.052 0.000 0.908 267 L HN 0.333 nan 8.230 nan 0.000 0.438 268 D N 0.013 120.385 120.400 -0.047 0.000 2.371 268 D HA -0.077 4.554 4.640 -0.014 0.000 0.221 268 D C 2.154 178.442 176.300 -0.020 0.000 0.986 268 D CA 0.483 54.465 54.000 -0.030 0.000 0.899 268 D CB 0.015 40.797 40.800 -0.030 0.000 0.902 268 D HN 0.227 nan 8.370 nan 0.000 0.530 269 R N 0.274 120.761 120.500 -0.023 0.000 2.159 269 R HA -0.065 4.266 4.340 -0.014 0.000 0.237 269 R C 1.729 178.031 176.300 0.003 0.000 1.131 269 R CA 0.902 56.997 56.100 -0.007 0.000 0.982 269 R CB -0.273 30.022 30.300 -0.008 0.000 0.868 269 R HN 0.347 nan 8.270 nan 0.000 0.453 270 N N 0.317 119.017 118.700 0.001 0.000 2.137 270 N HA -0.194 4.538 4.740 -0.014 0.000 0.190 270 N C 1.260 176.774 175.510 0.007 0.000 1.017 270 N CA 0.800 53.856 53.050 0.010 0.000 0.859 270 N CB -0.107 38.386 38.487 0.010 0.000 1.002 270 N HN 0.011 nan 8.380 nan 0.000 0.428 271 L N 1.178 122.400 121.223 -0.001 0.000 2.013 271 L HA -0.176 4.155 4.340 -0.014 0.000 0.212 271 L C 2.473 179.332 176.870 -0.018 0.000 1.073 271 L CA 1.556 56.392 54.840 -0.006 0.000 0.753 271 L CB -1.177 40.879 42.059 -0.006 0.000 0.890 271 L HN 0.171 nan 8.230 nan 0.000 0.432 272 A N -0.977 121.836 122.820 -0.013 0.000 1.930 272 A HA -0.175 4.136 4.320 -0.014 0.000 0.217 272 A C 2.152 179.708 177.584 -0.047 0.000 1.175 272 A CA 1.455 53.478 52.037 -0.025 0.000 0.627 272 A CB -0.456 18.553 19.000 0.015 0.000 0.815 272 A HN 0.532 nan 8.150 nan 0.000 0.443 273 E N -0.008 120.184 120.200 -0.013 0.000 2.427 273 E HA -0.068 4.273 4.350 -0.014 0.000 0.196 273 E C 1.043 177.644 176.600 0.001 0.000 1.028 273 E CA 0.210 56.609 56.400 -0.002 0.000 0.864 273 E CB -0.111 29.611 29.700 0.036 0.000 0.813 273 E HN 0.469 nan 8.360 nan 0.000 0.514 274 N N 1.009 119.708 118.700 -0.001 0.000 2.364 274 N HA -0.099 4.632 4.740 -0.014 0.000 0.183 274 N C 1.603 177.124 175.510 0.018 0.000 1.022 274 N CA 0.650 53.715 53.050 0.025 0.000 0.883 274 N CB -0.046 38.453 38.487 0.020 0.000 0.965 274 N HN 0.251 nan 8.380 nan 0.000 0.438 275 I N 0.467 120.990 120.570 -0.079 0.000 2.194 275 I HA -0.266 3.895 4.170 -0.014 0.000 0.246 275 I C 1.478 177.577 176.117 -0.029 0.000 1.093 275 I CA 1.346 62.565 61.300 -0.135 0.000 1.355 275 I CB -0.226 37.519 38.000 -0.425 0.000 1.046 275 I HN 0.141 nan 8.210 nan 0.000 0.413 276 S N -0.428 115.248 115.700 -0.039 0.000 2.614 276 S HA 0.162 4.623 4.470 -0.014 0.000 0.230 276 S C 1.496 176.250 174.600 0.258 0.000 0.952 276 S CA -0.475 57.795 58.200 0.118 0.000 0.949 276 S CB 0.203 63.460 63.200 0.096 0.000 0.786 276 S HN 0.224 nan 8.310 nan 0.000 0.478 277 R N 1.295 121.947 120.500 0.253 0.000 2.062 277 R HA 0.270 4.602 4.340 -0.014 0.000 0.229 277 R C 0.358 176.930 176.300 0.452 0.000 1.128 277 R CA 1.097 57.388 56.100 0.319 0.000 0.960 277 R CB -0.257 30.186 30.300 0.240 0.000 0.855 277 R HN 0.383 nan 8.270 nan 0.000 0.432 278 V N 0.524 120.654 119.914 0.360 0.000 2.851 278 V HA 0.351 4.462 4.120 -0.014 0.000 0.307 278 V C -1.537 174.522 176.094 -0.058 0.000 1.129 278 V CA -1.383 61.044 62.300 0.211 0.000 0.932 278 V CB 1.764 33.625 31.823 0.062 0.000 1.024 278 V HN 0.173 nan 8.190 nan 0.000 0.426 279 L N 7.020 127.967 121.223 -0.460 0.000 2.410 279 L HA 0.426 4.757 4.340 -0.014 0.000 0.273 279 L C -0.794 175.909 176.870 -0.279 0.000 1.144 279 L CA 0.495 54.839 54.840 -0.827 0.000 0.863 279 L CB 0.320 41.846 42.059 -0.888 0.000 1.140 279 L HN 0.675 nan 8.230 nan 0.000 0.463 280 Y N 7.373 127.568 120.300 -0.176 0.000 2.569 280 Y HA 0.170 4.711 4.550 -0.015 0.000 0.332 280 Y C -1.296 174.593 175.900 -0.019 0.000 1.120 280 Y CA -1.046 57.031 58.100 -0.039 0.000 1.416 280 Y CB 0.354 38.819 38.460 0.008 0.000 1.210 280 Y HN 0.594 nan 8.280 nan 0.000 0.528 281 P HA -0.027 nan 4.420 nan 0.000 0.261 281 P C -0.713 176.726 177.300 0.231 0.000 1.268 281 P CA 0.177 63.389 63.100 0.188 0.000 0.833 281 P CB 0.175 32.080 31.700 0.342 0.000 1.231 282 N N 1.509 120.350 118.700 0.235 0.000 2.482 282 N HA 0.005 4.736 4.740 -0.014 0.000 0.242 282 N C -0.027 175.626 175.510 0.237 0.000 1.100 282 N CA -0.140 53.053 53.050 0.238 0.000 0.946 282 N CB 0.225 38.849 38.487 0.228 0.000 1.227 282 N HN 0.026 nan 8.380 nan 0.000 0.508 283 D N 1.108 121.678 120.400 0.284 0.000 2.368 283 D HA -0.061 4.571 4.640 -0.014 0.000 0.218 283 D C 0.472 177.028 176.300 0.427 0.000 1.112 283 D CA -0.147 54.045 54.000 0.321 0.000 0.834 283 D CB -0.114 40.892 40.800 0.343 0.000 0.953 283 D HN 0.575 nan 8.370 nan 0.000 0.505 284 N N -0.332 118.604 118.700 0.393 0.000 2.503 284 N HA 0.026 4.757 4.740 -0.014 0.000 0.210 284 N C -0.517 175.149 175.510 0.259 0.000 1.077 284 N CA -0.222 53.051 53.050 0.373 0.000 0.855 284 N CB 0.380 38.994 38.487 0.212 0.000 1.323 284 N HN 0.100 nan 8.380 nan 0.000 0.452 285 F N 1.245 121.226 119.950 0.053 0.000 2.562 285 F HA 0.421 4.939 4.527 -0.015 0.000 0.319 285 F C -1.112 174.720 175.800 0.054 0.000 1.154 285 F CA -1.479 56.535 58.000 0.024 0.000 0.931 285 F CB 1.461 40.426 39.000 -0.059 0.000 1.198 285 F HN -0.094 nan 8.300 nan 0.000 0.444 286 F N 5.786 125.476 119.950 -0.433 0.000 2.571 286 F HA 0.205 4.724 4.527 -0.015 0.000 0.384 286 F C 0.024 175.660 175.800 -0.275 0.000 1.058 286 F CA 0.331 58.121 58.000 -0.352 0.000 1.200 286 F CB 0.347 39.086 39.000 -0.436 0.000 1.077 286 F HN 0.540 nan 8.300 nan 0.000 0.558 287 E N 4.269 123.951 120.200 -0.863 0.000 2.114 287 E HA 0.272 4.613 4.350 -0.014 0.000 0.266 287 E C 0.170 176.038 176.600 -1.220 0.000 0.896 287 E CA -0.612 55.369 56.400 -0.698 0.000 0.750 287 E CB 1.226 30.806 29.700 -0.199 0.000 1.121 287 E HN 0.899 nan 8.360 nan 0.000 0.413 288 G N 5.141 113.256 108.800 -1.142 0.000 3.284 288 G HA2 -0.015 3.936 3.960 -0.014 0.000 0.251 288 G HA3 -0.015 3.936 3.960 -0.014 0.000 0.251 288 G C 0.043 174.913 174.900 -0.051 0.000 0.913 288 G CA -0.155 44.467 45.100 -0.796 0.000 1.947 288 G HN 0.207 nan 8.290 nan 0.000 0.635 289 K N 0.585 120.981 120.400 -0.008 0.000 2.172 289 K HA 0.149 4.460 4.320 -0.014 0.000 0.276 289 K C 0.950 177.691 176.600 0.235 0.000 1.013 289 K CA -0.523 55.842 56.287 0.131 0.000 0.913 289 K CB 2.182 34.748 32.500 0.109 0.000 1.055 289 K HN 0.429 nan 8.250 nan 0.000 0.461 290 E N 2.054 122.358 120.200 0.174 0.000 2.085 290 E HA -0.213 4.129 4.350 -0.014 0.000 0.194 290 E C 1.504 178.128 176.600 0.040 0.000 0.994 290 E CA 1.019 57.472 56.400 0.089 0.000 0.801 290 E CB 0.185 29.940 29.700 0.092 0.000 0.743 290 E HN 0.411 nan 8.360 nan 0.000 0.453 291 L N 1.257 122.545 121.223 0.109 0.000 2.083 291 L HA -0.173 4.158 4.340 -0.014 0.000 0.209 291 L C 2.475 179.427 176.870 0.136 0.000 1.083 291 L CA 1.703 56.623 54.840 0.132 0.000 0.752 291 L CB -0.469 41.738 42.059 0.246 0.000 0.899 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.588 119.931 120.500 0.032 0.000 2.081 292 R HA -0.161 4.170 4.340 -0.014 0.000 0.235 292 R C 2.108 178.436 176.300 0.047 0.000 1.131 292 R CA 1.878 57.911 56.100 -0.111 0.000 0.960 292 R CB -1.069 28.965 30.300 -0.445 0.000 0.856 292 R HN 0.393 nan 8.270 nan 0.000 0.436 293 L N 0.948 122.114 121.223 -0.095 0.000 2.046 293 L HA -0.093 4.238 4.340 -0.014 0.000 0.208 293 L C 1.758 178.560 176.870 -0.113 0.000 1.077 293 L CA 1.922 56.490 54.840 -0.453 0.000 0.747 293 L CB -0.451 41.047 42.059 -0.934 0.000 0.896 293 L HN 0.168 nan 8.230 nan 0.000 0.432 294 K N -0.990 119.392 120.400 -0.031 0.000 2.063 294 K HA -0.213 4.098 4.320 -0.014 0.000 0.208 294 K C 2.103 178.866 176.600 0.271 0.000 1.048 294 K CA 1.904 58.239 56.287 0.079 0.000 0.928 294 K CB -0.211 32.154 32.500 -0.223 0.000 0.713 294 K HN 0.508 nan 8.250 nan 0.000 0.442 295 Q N 0.581 120.507 119.800 0.211 0.000 2.084 295 Q HA -0.198 4.133 4.340 -0.014 0.000 0.202 295 Q C 2.000 178.208 176.000 0.347 0.000 0.978 295 Q CA 1.494 57.485 55.803 0.313 0.000 0.844 295 Q CB -0.030 28.909 28.738 0.336 0.000 0.898 295 Q HN 0.388 nan 8.270 nan 0.000 0.426 296 E N -0.195 120.157 120.200 0.254 0.000 2.051 296 E HA -0.215 4.127 4.350 -0.014 0.000 0.192 296 E C 1.778 178.494 176.600 0.194 0.000 0.991 296 E CA 1.079 57.610 56.400 0.218 0.000 0.799 296 E CB -0.170 29.634 29.700 0.173 0.000 0.748 296 E HN 0.322 nan 8.360 nan 0.000 0.449 297 Y N 0.528 120.871 120.300 0.071 0.000 2.200 297 Y HA -0.232 4.310 4.550 -0.014 0.000 0.290 297 Y C 2.003 177.933 175.900 0.050 0.000 1.137 297 Y CA 1.159 59.256 58.100 -0.005 0.000 1.163 297 Y CB -0.421 38.003 38.460 -0.059 0.000 0.988 297 Y HN 0.024 nan 8.280 nan 0.000 0.518 298 F N -0.302 119.657 119.950 0.014 0.000 2.065 298 F HA -0.256 4.263 4.527 -0.015 0.000 0.298 298 F C 2.502 178.162 175.800 -0.233 0.000 1.112 298 F CA 2.026 59.986 58.000 -0.068 0.000 1.212 298 F CB -1.094 38.021 39.000 0.192 0.000 0.975 298 F HN -0.047 nan 8.300 nan 0.000 0.476 299 V N -0.443 119.418 119.914 -0.088 0.000 2.358 299 V HA -0.208 3.903 4.120 -0.014 0.000 0.246 299 V C 2.210 178.153 176.094 -0.252 0.000 1.047 299 V CA 2.010 64.234 62.300 -0.126 0.000 1.035 299 V CB -0.452 31.503 31.823 0.221 0.000 0.658 299 V HN 0.261 nan 8.190 nan 0.000 0.452 300 V N 0.516 120.293 119.914 -0.228 0.000 2.261 300 V HA -0.202 3.910 4.120 -0.014 0.000 0.246 300 V C 2.842 178.677 176.094 -0.432 0.000 1.047 300 V CA 2.280 64.430 62.300 -0.249 0.000 1.015 300 V CB -1.162 30.573 31.823 -0.147 0.000 0.642 300 V HN 0.659 nan 8.190 nan 0.000 0.446 301 A N -0.264 122.119 122.820 -0.728 0.000 1.877 301 A HA -0.100 4.211 4.320 -0.014 0.000 0.216 301 A C 2.391 179.602 177.584 -0.622 0.000 1.186 301 A CA 2.133 53.734 52.037 -0.727 0.000 0.620 301 A CB -0.810 17.532 19.000 -1.096 0.000 0.822 301 A HN 0.573 nan 8.150 nan 0.000 0.443 302 A N -1.091 121.195 122.820 -0.888 0.000 1.898 302 A HA -0.049 4.262 4.320 -0.014 0.000 0.216 302 A C 2.309 179.407 177.584 -0.809 0.000 1.181 302 A CA 2.229 53.552 52.037 -1.190 0.000 0.620 302 A CB -1.254 16.359 19.000 -2.311 0.000 0.819 302 A HN 0.424 nan 8.150 nan 0.000 0.442 303 T N 0.461 114.688 114.554 -0.546 0.000 2.708 303 T HA -0.101 4.240 4.350 -0.014 0.000 0.266 303 T C 1.821 176.265 174.700 -0.427 0.000 1.037 303 T CA 1.465 63.367 62.100 -0.331 0.000 1.146 303 T CB -0.378 68.300 68.868 -0.316 0.000 0.865 303 T HN 0.334 nan 8.240 nan 0.000 0.435 304 L N 0.681 121.697 121.223 -0.346 0.000 2.083 304 L HA -0.150 4.182 4.340 -0.014 0.000 0.209 304 L C 2.903 179.665 176.870 -0.181 0.000 1.083 304 L CA 1.330 56.016 54.840 -0.257 0.000 0.752 304 L CB -0.477 41.469 42.059 -0.187 0.000 0.899 304 L HN 0.361 nan 8.230 nan 0.000 0.433 305 Q N -0.614 119.080 119.800 -0.177 0.000 2.124 305 Q HA -0.245 4.087 4.340 -0.014 0.000 0.202 305 Q C 1.734 177.722 176.000 -0.021 0.000 0.977 305 Q CA 1.663 57.416 55.803 -0.083 0.000 0.850 305 Q CB -0.094 28.584 28.738 -0.100 0.000 0.901 305 Q HN 0.405 nan 8.270 nan 0.000 0.429 306 D N 0.560 120.940 120.400 -0.035 0.000 2.097 306 D HA -0.099 4.533 4.640 -0.014 0.000 0.197 306 D C 1.703 177.961 176.300 -0.070 0.000 0.984 306 D CA 0.852 54.876 54.000 0.041 0.000 0.826 306 D CB -0.047 40.857 40.800 0.174 0.000 0.973 306 D HN 0.152 nan 8.370 nan 0.000 0.460 307 I N 0.190 120.591 120.570 -0.282 0.000 2.163 307 I HA -0.268 3.894 4.170 -0.014 0.000 0.243 307 I C 2.283 178.423 176.117 0.038 0.000 1.085 307 I CA 0.845 61.918 61.300 -0.379 0.000 1.347 307 I CB -0.167 37.459 38.000 -0.623 0.000 1.044 307 I HN 0.040 nan 8.210 nan 0.000 0.408 308 I N 0.132 120.783 120.570 0.136 0.000 2.202 308 I HA -0.284 3.877 4.170 -0.014 0.000 0.242 308 I C 2.780 179.077 176.117 0.300 0.000 1.091 308 I CA 1.154 62.654 61.300 0.333 0.000 1.368 308 I CB -0.447 37.696 38.000 0.238 0.000 1.058 308 I HN 0.180 nan 8.210 nan 0.000 0.410 309 R N 1.265 121.874 120.500 0.181 0.000 2.094 309 R HA -0.243 4.088 4.340 -0.014 0.000 0.239 309 R C 2.504 178.904 176.300 0.165 0.000 1.137 309 R CA 1.933 58.130 56.100 0.161 0.000 0.943 309 R CB -0.323 30.066 30.300 0.148 0.000 0.850 309 R HN 0.209 nan 8.270 nan 0.000 0.433 310 R N -0.648 119.949 120.500 0.162 0.000 2.096 310 R HA -0.171 4.160 4.340 -0.014 0.000 0.235 310 R C 2.209 178.620 176.300 0.186 0.000 1.127 310 R CA 1.735 57.935 56.100 0.167 0.000 0.968 310 R CB -0.367 30.019 30.300 0.143 0.000 0.861 310 R HN 0.314 nan 8.270 nan 0.000 0.440 311 F N 1.321 121.319 119.950 0.079 0.000 2.146 311 F HA -0.106 4.412 4.527 -0.015 0.000 0.298 311 F C 1.680 177.491 175.800 0.018 0.000 1.096 311 F CA 1.499 59.530 58.000 0.052 0.000 1.275 311 F CB 0.050 39.128 39.000 0.131 0.000 1.008 311 F HN -0.146 nan 8.300 nan 0.000 0.480 312 K N -0.225 120.127 120.400 -0.080 0.000 2.103 312 K HA 0.011 4.322 4.320 -0.014 0.000 0.204 312 K C 0.991 177.502 176.600 -0.149 0.000 1.052 312 K CA 1.092 57.255 56.287 -0.207 0.000 0.945 312 K CB -0.239 32.258 32.500 -0.005 0.000 0.722 312 K HN 0.055 nan 8.250 nan 0.000 0.443 313 S N 1.804 117.491 115.700 -0.022 0.000 4.069 313 S HA 0.144 4.605 4.470 -0.014 0.000 0.192 313 S C -0.380 174.235 174.600 0.025 0.000 1.441 313 S CA -0.365 57.867 58.200 0.054 0.000 0.994 313 S CB 0.220 63.518 63.200 0.162 0.000 1.456 313 S HN 0.094 nan 8.310 nan 0.000 0.458 325 N N 0.943 119.624 118.700 -0.032 0.000 2.521 325 N HA 0.260 4.991 4.740 -0.014 0.000 0.236 325 N C -0.504 175.078 175.510 0.120 0.000 1.067 325 N CA -0.105 52.986 53.050 0.069 0.000 0.939 325 N CB 0.141 38.659 38.487 0.051 0.000 1.201 325 N HN 0.153 nan 8.380 nan 0.000 0.511 326 F N 1.749 121.816 119.950 0.195 0.000 2.811 326 F HA 0.074 4.593 4.527 -0.015 0.000 0.301 326 F C 1.352 177.219 175.800 0.112 0.000 1.151 326 F CA 0.050 58.139 58.000 0.148 0.000 1.412 326 F CB 0.323 39.291 39.000 -0.054 0.000 1.113 326 F HN 0.453 nan 8.300 nan 0.000 0.579 327 D N 0.379 120.921 120.400 0.237 0.000 2.178 327 D HA -0.173 4.459 4.640 -0.014 0.000 0.201 327 D C 2.185 178.578 176.300 0.154 0.000 0.980 327 D CA 1.276 55.372 54.000 0.159 0.000 0.842 327 D CB -0.118 40.751 40.800 0.115 0.000 0.948 327 D HN 0.240 nan 8.370 nan 0.000 0.472 328 A N -0.717 122.225 122.820 0.203 0.000 2.218 328 A HA 0.088 4.399 4.320 -0.014 0.000 0.209 328 A C 1.605 179.306 177.584 0.196 0.000 1.168 328 A CA -0.224 51.933 52.037 0.199 0.000 0.804 328 A CB -0.755 18.376 19.000 0.218 0.000 0.834 328 A HN 0.222 nan 8.150 nan 0.000 0.482 329 F N 1.921 121.817 119.950 -0.089 0.000 2.065 329 F HA -0.147 4.372 4.527 -0.014 0.000 0.298 329 F C -0.768 174.912 175.800 -0.199 0.000 1.112 329 F CA 2.595 60.310 58.000 -0.475 0.000 1.212 329 F CB -0.607 38.112 39.000 -0.468 0.000 0.975 329 F HN 0.198 nan 8.300 nan 0.000 0.476 330 P HA -0.099 nan 4.420 nan 0.000 0.223 330 P C 0.747 178.005 177.300 -0.071 0.000 1.151 330 P CA 1.486 64.556 63.100 -0.051 0.000 0.787 330 P CB -0.077 31.623 31.700 -0.001 0.000 0.788 331 D N -0.809 119.571 120.400 -0.034 0.000 2.317 331 D HA -0.040 4.591 4.640 -0.014 0.000 0.211 331 D C 1.503 177.790 176.300 -0.023 0.000 0.966 331 D CA 0.928 54.921 54.000 -0.012 0.000 0.876 331 D CB 0.112 40.927 40.800 0.023 0.000 0.927 331 D HN 0.148 nan 8.370 nan 0.000 0.519 332 K N -0.030 120.334 120.400 -0.061 0.000 2.412 332 K HA 0.207 4.518 4.320 -0.014 0.000 0.202 332 K C -0.092 176.426 176.600 -0.137 0.000 1.102 332 K CA 0.085 56.348 56.287 -0.040 0.000 1.027 332 K CB 2.333 34.913 32.500 0.133 0.000 0.931 332 K HN -0.067 nan 8.250 nan 0.000 0.557 333 V N 1.063 120.804 119.914 -0.288 0.000 2.686 333 V HA 0.610 4.721 4.120 -0.014 0.000 0.306 333 V C -1.039 174.965 176.094 -0.151 0.000 1.065 333 V CA -1.290 60.838 62.300 -0.286 0.000 0.894 333 V CB 1.797 33.142 31.823 -0.796 0.000 1.004 333 V HN 0.109 nan 8.190 nan 0.000 0.424 334 A N 5.708 128.493 122.820 -0.059 0.000 2.343 334 A HA 0.926 5.237 4.320 -0.014 0.000 0.316 334 A C -0.918 176.689 177.584 0.038 0.000 1.104 334 A CA -0.495 51.539 52.037 -0.004 0.000 0.768 334 A CB 0.949 19.904 19.000 -0.075 0.000 1.213 334 A HN 0.777 nan 8.150 nan 0.000 0.456 335 I N 1.871 122.506 120.570 0.109 0.000 2.382 335 I HA 0.290 4.452 4.170 -0.014 0.000 0.286 335 I C -0.280 175.921 176.117 0.139 0.000 1.002 335 I CA -0.528 60.846 61.300 0.122 0.000 1.135 335 I CB 1.884 39.937 38.000 0.090 0.000 1.288 335 I HN 0.692 nan 8.210 nan 0.000 0.448 336 Q N 6.727 126.602 119.800 0.126 0.000 2.314 336 Q HA 0.495 4.826 4.340 -0.014 0.000 0.259 336 Q C -1.270 174.709 176.000 -0.034 0.000 0.951 336 Q CA -0.256 55.638 55.803 0.152 0.000 0.909 336 Q CB 1.292 30.217 28.738 0.311 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.835 125.083 121.223 0.043 0.000 2.261 337 L HA 0.371 4.702 4.340 -0.014 0.000 0.289 337 L C 0.101 176.988 176.870 0.029 0.000 1.059 337 L CA -0.699 54.165 54.840 0.040 0.000 0.816 337 L CB 0.578 42.717 42.059 0.134 0.000 1.191 337 L HN 0.567 nan 8.230 nan 0.000 0.431 338 N N 3.594 122.233 118.700 -0.102 0.000 2.466 338 N HA 0.070 4.801 4.740 -0.014 0.000 0.263 338 N C -0.129 175.390 175.510 0.014 0.000 1.178 338 N CA 0.435 53.468 53.050 -0.029 0.000 0.983 338 N CB -0.174 38.218 38.487 -0.159 0.000 1.331 338 N HN 0.692 nan 8.380 nan 0.000 0.500 339 D N -0.605 119.909 120.400 0.190 0.000 4.136 339 D HA -0.263 4.369 4.640 -0.014 0.000 0.291 339 D C 0.501 176.908 176.300 0.179 0.000 2.238 339 D CA 2.073 56.187 54.000 0.190 0.000 1.141 339 D CB -0.333 40.380 40.800 -0.144 0.000 1.027 339 D HN 0.506 nan 8.370 nan 0.000 1.223 340 T N -3.186 111.407 114.554 0.065 0.000 3.113 340 T HA 0.053 4.394 4.350 -0.014 0.000 0.256 340 T C 1.454 176.227 174.700 0.121 0.000 1.131 340 T CA 1.540 63.652 62.100 0.020 0.000 1.074 340 T CB -0.502 68.344 68.868 -0.035 0.000 0.944 340 T HN 0.520 nan 8.240 nan 0.000 0.516 341 H N 2.703 121.866 119.070 0.155 0.000 2.353 341 H HA -0.019 4.528 4.556 -0.014 0.000 0.298 341 H C -0.868 174.553 175.328 0.155 0.000 1.103 341 H CA 1.120 57.275 56.048 0.178 0.000 1.293 341 H CB -0.950 28.916 29.762 0.174 0.000 1.372 341 H HN 0.445 nan 8.280 nan 0.000 0.501 342 P HA 0.083 nan 4.420 nan 0.000 0.254 342 P C 0.653 177.999 177.300 0.078 0.000 1.620 342 P CA 0.331 63.514 63.100 0.139 0.000 1.050 342 P CB 0.315 32.086 31.700 0.119 0.000 1.539 343 S N -0.394 115.346 115.700 0.067 0.000 2.442 343 S HA -0.113 4.349 4.470 -0.014 0.000 0.236 343 S C 1.729 176.331 174.600 0.003 0.000 1.007 343 S CA 0.725 58.924 58.200 -0.002 0.000 0.965 343 S CB -1.436 61.737 63.200 -0.045 0.000 0.773 343 S HN 0.147 nan 8.310 nan 0.000 0.504 344 L N 1.005 122.243 121.223 0.025 0.000 2.456 344 L HA 0.023 4.354 4.340 -0.014 0.000 0.224 344 L C 2.929 179.827 176.870 0.048 0.000 1.148 344 L CA 0.638 55.492 54.840 0.023 0.000 0.825 344 L CB -0.748 41.322 42.059 0.018 0.000 0.937 344 L HN 0.464 nan 8.230 nan 0.000 0.450 345 A N 0.575 123.407 122.820 0.020 0.000 1.986 345 A HA -0.217 4.095 4.320 -0.014 0.000 0.220 345 A C 2.179 179.760 177.584 -0.006 0.000 1.171 345 A CA 1.628 53.664 52.037 -0.003 0.000 0.640 345 A CB -0.503 18.490 19.000 -0.013 0.000 0.811 345 A HN 0.382 nan 8.150 nan 0.000 0.451 346 I N 0.206 120.774 120.570 -0.003 0.000 2.110 346 I HA -0.138 4.023 4.170 -0.014 0.000 0.236 346 I C -0.351 175.780 176.117 0.024 0.000 1.068 346 I CA 1.533 62.828 61.300 -0.009 0.000 1.333 346 I CB -0.993 37.002 38.000 -0.008 0.000 1.054 346 I HN 0.239 nan 8.210 nan 0.000 0.402 347 P HA -0.166 nan 4.420 nan 0.000 0.221 347 P C 1.277 178.610 177.300 0.056 0.000 1.150 347 P CA 1.465 64.604 63.100 0.064 0.000 0.800 347 P CB 0.036 31.796 31.700 0.099 0.000 0.787 348 E N 0.316 120.615 120.200 0.164 0.000 2.077 348 E HA -0.162 4.179 4.350 -0.014 0.000 0.193 348 E C 1.931 178.520 176.600 -0.019 0.000 0.989 348 E CA 0.750 57.258 56.400 0.181 0.000 0.800 348 E CB -1.251 28.591 29.700 0.236 0.000 0.746 348 E HN -0.009 nan 8.360 nan 0.000 0.452 349 L N -0.022 121.156 121.223 -0.074 0.000 2.042 349 L HA -0.137 4.194 4.340 -0.014 0.000 0.210 349 L C 2.123 178.846 176.870 -0.246 0.000 1.076 349 L CA 1.805 56.539 54.840 -0.177 0.000 0.749 349 L CB -0.597 41.359 42.059 -0.172 0.000 0.893 349 L HN 0.246 nan 8.230 nan 0.000 0.432 350 M N -0.835 118.636 119.600 -0.215 0.000 2.080 350 M HA -0.231 4.240 4.480 -0.014 0.000 0.260 350 M C 2.438 178.564 176.300 -0.289 0.000 1.068 350 M CA 1.630 56.745 55.300 -0.308 0.000 1.109 350 M CB -1.268 31.133 32.600 -0.331 0.000 1.342 350 M HN 0.327 nan 8.290 nan 0.000 0.405 351 R N 0.052 120.413 120.500 -0.232 0.000 2.094 351 R HA -0.151 4.181 4.340 -0.014 0.000 0.239 351 R C 2.080 178.272 176.300 -0.180 0.000 1.137 351 R CA 1.867 57.834 56.100 -0.223 0.000 0.943 351 R CB -0.253 29.861 30.300 -0.310 0.000 0.850 351 R HN 0.222 nan 8.270 nan 0.000 0.433 352 V N 1.413 121.220 119.914 -0.178 0.000 2.295 352 V HA -0.260 3.852 4.120 -0.014 0.000 0.246 352 V C 2.421 178.346 176.094 -0.282 0.000 1.049 352 V CA 1.777 63.964 62.300 -0.188 0.000 1.024 352 V CB -0.417 31.294 31.823 -0.187 0.000 0.648 352 V HN 0.352 nan 8.190 nan 0.000 0.447 353 L N -0.659 120.332 121.223 -0.387 0.000 2.056 353 L HA -0.122 4.210 4.340 -0.014 0.000 0.207 353 L C 2.390 179.068 176.870 -0.320 0.000 1.078 353 L CA 1.095 55.637 54.840 -0.496 0.000 0.749 353 L CB -0.562 41.160 42.059 -0.563 0.000 0.901 353 L HN 0.213 nan 8.230 nan 0.000 0.433 354 V N -0.605 119.165 119.914 -0.240 0.000 2.331 354 V HA -0.174 3.937 4.120 -0.014 0.000 0.242 354 V C 1.898 177.946 176.094 -0.076 0.000 1.034 354 V CA 1.649 63.872 62.300 -0.128 0.000 1.027 354 V CB -0.305 31.472 31.823 -0.076 0.000 0.667 354 V HN 0.342 nan 8.190 nan 0.000 0.457 355 D N -0.231 120.119 120.400 -0.085 0.000 2.194 355 D HA 0.033 4.664 4.640 -0.014 0.000 0.204 355 D C 1.950 178.220 176.300 -0.049 0.000 0.964 355 D CA 1.060 55.029 54.000 -0.051 0.000 0.846 355 D CB 0.199 40.966 40.800 -0.055 0.000 0.962 355 D HN 0.335 nan 8.370 nan 0.000 0.490 356 L N -0.016 121.161 121.223 -0.076 0.000 2.467 356 L HA 0.159 4.490 4.340 -0.014 0.000 0.213 356 L C 1.738 178.576 176.870 -0.052 0.000 1.053 356 L CA 0.355 55.162 54.840 -0.055 0.000 0.847 356 L CB 0.240 42.267 42.059 -0.053 0.000 1.075 356 L HN -0.214 nan 8.230 nan 0.000 0.479 357 E N 0.466 120.600 120.200 -0.111 0.000 2.447 357 E HA 0.062 4.404 4.350 -0.014 0.000 0.195 357 E C 0.097 176.662 176.600 -0.058 0.000 1.028 357 E CA -0.052 56.292 56.400 -0.094 0.000 0.876 357 E CB 0.414 29.938 29.700 -0.293 0.000 0.885 357 E HN 0.189 nan 8.360 nan 0.000 0.500 358 R N -0.164 120.297 120.500 -0.065 0.000 3.770 358 R HA -0.188 4.143 4.340 -0.014 0.000 0.305 358 R C -0.297 175.990 176.300 -0.022 0.000 1.184 358 R CA 0.257 56.342 56.100 -0.025 0.000 0.823 358 R CB -2.798 27.505 30.300 0.005 0.000 1.285 358 R HN 0.077 nan 8.270 nan 0.000 0.499 359 L N 2.399 123.580 121.223 -0.071 0.000 2.436 359 L HA 0.123 4.455 4.340 -0.014 0.000 0.265 359 L C 1.496 178.359 176.870 -0.013 0.000 1.168 359 L CA 0.244 55.052 54.840 -0.053 0.000 0.815 359 L CB 0.379 42.356 42.059 -0.136 0.000 1.109 359 L HN 0.143 nan 8.230 nan 0.000 0.462 360 D N 1.119 121.537 120.400 0.030 0.000 2.368 360 D HA -0.147 4.484 4.640 -0.014 0.000 0.240 360 D C 0.924 177.293 176.300 0.115 0.000 1.169 360 D CA -0.500 53.553 54.000 0.088 0.000 0.906 360 D CB 0.713 41.570 40.800 0.095 0.000 1.187 360 D HN 0.613 nan 8.370 nan 0.000 0.435 361 W N 1.823 123.128 121.300 0.008 0.000 2.317 361 W HA -0.215 4.436 4.660 -0.014 0.000 0.318 361 W C 1.099 177.667 176.519 0.082 0.000 1.227 361 W CA 1.824 59.182 57.345 0.022 0.000 1.269 361 W CB -0.216 29.237 29.460 -0.013 0.000 1.155 361 W HN 0.470 nan 8.180 nan 0.000 0.484 362 D N 0.274 120.870 120.400 0.328 0.000 2.144 362 D HA -0.192 4.439 4.640 -0.014 0.000 0.199 362 D C 1.857 178.265 176.300 0.180 0.000 0.984 362 D CA 1.766 55.937 54.000 0.284 0.000 0.834 362 D CB -0.370 40.565 40.800 0.225 0.000 0.955 362 D HN 0.116 nan 8.370 nan 0.000 0.465 363 K N 1.377 121.838 120.400 0.102 0.000 2.031 363 K HA 0.023 4.334 4.320 -0.014 0.000 0.205 363 K C 1.895 178.486 176.600 -0.014 0.000 1.049 363 K CA 1.423 57.741 56.287 0.051 0.000 0.939 363 K CB -0.546 31.980 32.500 0.042 0.000 0.717 363 K HN -0.022 nan 8.250 nan 0.000 0.438 364 A N 0.778 123.545 122.820 -0.088 0.000 1.908 364 A HA -0.198 4.113 4.320 -0.014 0.000 0.218 364 A C 2.262 179.744 177.584 -0.170 0.000 1.181 364 A CA 1.576 53.487 52.037 -0.209 0.000 0.627 364 A CB -1.260 17.547 19.000 -0.322 0.000 0.818 364 A HN 0.704 nan 8.150 nan 0.000 0.445 365 W N 0.604 121.696 121.300 -0.348 0.000 2.355 365 W HA -0.187 4.465 4.660 -0.014 0.000 0.309 365 W C 2.030 178.494 176.519 -0.092 0.000 1.206 365 W CA 1.902 59.097 57.345 -0.250 0.000 1.284 365 W CB -0.186 29.174 29.460 -0.166 0.000 1.145 365 W HN 0.619 nan 8.180 nan 0.000 0.502 366 E N 0.097 120.289 120.200 -0.013 0.000 2.038 366 E HA -0.249 4.092 4.350 -0.014 0.000 0.195 366 E C 2.050 178.572 176.600 -0.130 0.000 1.000 366 E CA 2.229 58.587 56.400 -0.070 0.000 0.803 366 E CB -0.394 29.325 29.700 0.031 0.000 0.750 366 E HN 0.053 nan 8.360 nan 0.000 0.448 367 V N 0.730 120.585 119.914 -0.099 0.000 2.295 367 V HA -0.281 3.830 4.120 -0.014 0.000 0.246 367 V C 2.419 178.449 176.094 -0.106 0.000 1.049 367 V CA 2.244 64.504 62.300 -0.066 0.000 1.024 367 V CB -0.828 30.951 31.823 -0.075 0.000 0.648 367 V HN 0.410 nan 8.190 nan 0.000 0.447 368 T N 0.005 114.420 114.554 -0.231 0.000 2.652 368 T HA -0.194 4.147 4.350 -0.014 0.000 0.267 368 T C 1.946 176.464 174.700 -0.302 0.000 1.039 368 T CA 1.823 63.758 62.100 -0.273 0.000 1.153 368 T CB -0.352 68.293 68.868 -0.371 0.000 0.863 368 T HN 0.270 nan 8.240 nan 0.000 0.428 369 V N 1.446 121.056 119.914 -0.506 0.000 2.287 369 V HA -0.202 3.909 4.120 -0.014 0.000 0.248 369 V C 2.377 178.431 176.094 -0.068 0.000 1.053 369 V CA 1.721 63.785 62.300 -0.394 0.000 1.027 369 V CB -0.506 31.002 31.823 -0.524 0.000 0.646 369 V HN 0.469 nan 8.190 nan 0.000 0.447 370 K N -0.591 119.759 120.400 -0.085 0.000 2.362 370 K HA -0.087 4.225 4.320 -0.014 0.000 0.200 370 K C 2.051 178.645 176.600 -0.011 0.000 1.046 370 K CA 1.511 57.743 56.287 -0.091 0.000 0.952 370 K CB -0.185 32.250 32.500 -0.108 0.000 0.753 370 K HN 0.487 nan 8.250 nan 0.000 0.466 371 T N 0.042 114.637 114.554 0.068 0.000 2.976 371 T HA 0.033 4.374 4.350 -0.014 0.000 0.257 371 T C 0.875 175.684 174.700 0.182 0.000 1.051 371 T CA 0.336 62.506 62.100 0.117 0.000 1.141 371 T CB 0.128 69.098 68.868 0.170 0.000 0.881 371 T HN 0.157 nan 8.240 nan 0.000 0.461 372 C N 2.370 121.755 119.300 0.143 0.000 2.401 372 C HA 0.882 5.333 4.460 -0.014 0.000 0.365 372 C C 0.585 175.616 174.990 0.068 0.000 1.250 372 C CA -1.170 57.906 59.018 0.097 0.000 2.131 372 C CB 0.110 27.849 27.740 -0.003 0.000 2.445 372 C HN 0.597 nan 8.230 nan 0.000 0.550 373 A N 2.043 124.898 122.820 0.059 0.000 2.515 373 A HA 0.759 5.070 4.320 -0.014 0.000 0.298 373 A C -1.574 176.069 177.584 0.100 0.000 1.059 373 A CA -0.423 51.593 52.037 -0.035 0.000 0.698 373 A CB 1.047 20.020 19.000 -0.045 0.000 1.289 373 A HN 0.944 nan 8.150 nan 0.000 0.404 374 Y N 1.041 121.281 120.300 -0.100 0.000 2.376 374 Y HA 0.654 5.196 4.550 -0.014 0.000 0.340 374 Y C -0.550 175.329 175.900 -0.035 0.000 0.965 374 Y CA -0.306 57.750 58.100 -0.073 0.000 1.078 374 Y CB 2.100 40.471 38.460 -0.148 0.000 1.193 374 Y HN 0.570 nan 8.280 nan 0.000 0.452 375 T N 6.567 120.869 114.554 -0.419 0.000 2.770 375 T HA 0.194 4.536 4.350 -0.014 0.000 0.283 375 T C -0.816 173.412 174.700 -0.787 0.000 0.988 375 T CA -0.824 60.983 62.100 -0.488 0.000 0.957 375 T CB 0.482 69.312 68.868 -0.063 0.000 0.930 375 T HN 0.665 nan 8.240 nan 0.000 0.443 376 N N 1.784 120.025 118.700 -0.764 0.000 2.498 376 N HA 0.136 4.868 4.740 -0.014 0.000 0.287 376 N C -0.011 175.368 175.510 -0.218 0.000 1.097 376 N CA -0.305 52.549 53.050 -0.328 0.000 0.973 376 N CB 0.763 39.249 38.487 -0.001 0.000 1.153 376 N HN 0.683 nan 8.380 nan 0.000 0.472 377 H N 0.889 119.975 119.070 0.026 0.000 3.058 377 H HA 0.167 4.714 4.556 -0.015 0.000 0.266 377 H C -0.279 174.952 175.328 -0.162 0.000 1.135 377 H CA -0.054 55.952 56.048 -0.072 0.000 1.174 377 H CB 1.157 30.890 29.762 -0.048 0.000 1.581 377 H HN 0.510 nan 8.280 nan 0.000 0.553 378 T N 0.460 115.021 114.554 0.012 0.000 2.957 378 T HA 0.193 4.535 4.350 -0.014 0.000 0.336 378 T C 0.514 175.225 174.700 0.017 0.000 1.462 378 T CA -0.423 61.636 62.100 -0.068 0.000 1.073 378 T CB 1.377 70.192 68.868 -0.087 0.000 1.319 378 T HN -0.021 nan 8.240 nan 0.000 0.485 379 V N 2.304 122.197 119.914 -0.036 0.000 3.621 379 V HA 0.550 4.662 4.120 -0.014 0.000 0.285 379 V C 0.690 176.733 176.094 -0.085 0.000 1.346 379 V CA 0.087 62.350 62.300 -0.062 0.000 1.104 379 V CB -0.521 31.267 31.823 -0.058 0.000 0.913 379 V HN 0.697 nan 8.190 nan 0.000 0.432 380 L N 3.175 124.338 121.223 -0.101 0.000 2.500 380 L HA 0.219 4.551 4.340 -0.014 0.000 0.272 380 L C -0.589 176.252 176.870 -0.047 0.000 1.149 380 L CA -1.010 53.790 54.840 -0.068 0.000 0.897 380 L CB 0.754 42.754 42.059 -0.098 0.000 1.178 380 L HN 0.139 nan 8.230 nan 0.000 0.473 381 P HA -0.204 nan 4.420 nan 0.000 0.217 381 P C 0.982 178.232 177.300 -0.084 0.000 1.150 381 P CA 1.175 64.242 63.100 -0.055 0.000 0.832 381 P CB 0.081 31.760 31.700 -0.035 0.000 0.787 382 E N 0.490 120.652 120.200 -0.063 0.000 2.338 382 E HA -0.072 4.269 4.350 -0.014 0.000 0.197 382 E C 1.675 178.143 176.600 -0.219 0.000 1.007 382 E CA 1.161 57.454 56.400 -0.178 0.000 0.849 382 E CB -0.805 28.881 29.700 -0.025 0.000 0.774 382 E HN 0.199 nan 8.360 nan 0.000 0.506 383 A N 1.335 124.103 122.820 -0.087 0.000 2.081 383 A HA 0.211 4.522 4.320 -0.014 0.000 0.214 383 A C 1.465 179.010 177.584 -0.066 0.000 1.158 383 A CA -0.241 51.781 52.037 -0.026 0.000 0.724 383 A CB -0.164 18.848 19.000 0.019 0.000 0.826 383 A HN 0.164 nan 8.150 nan 0.000 0.463 384 L N 1.499 122.638 121.223 -0.139 0.000 2.453 384 L HA 0.083 4.414 4.340 -0.014 0.000 0.272 384 L C -0.001 176.545 176.870 -0.541 0.000 1.182 384 L CA -0.114 54.598 54.840 -0.213 0.000 0.858 384 L CB 0.423 42.389 42.059 -0.154 0.000 1.120 384 L HN 0.345 nan 8.230 nan 0.000 0.474 385 E N 4.148 123.950 120.200 -0.663 0.000 2.180 385 E HA 0.204 4.545 4.350 -0.014 0.000 0.283 385 E C -0.613 175.341 176.600 -1.077 0.000 1.061 385 E CA -0.167 55.393 56.400 -1.400 0.000 0.861 385 E CB 0.675 29.907 29.700 -0.780 0.000 1.056 385 E HN 0.396 nan 8.360 nan 0.000 0.407 386 R N 3.792 123.491 120.500 -1.336 0.000 2.415 386 R HA 0.189 4.520 4.340 -0.014 0.000 0.292 386 R C -1.208 174.912 176.300 -0.300 0.000 1.295 386 R CA -0.568 55.209 56.100 -0.539 0.000 1.137 386 R CB 0.777 30.895 30.300 -0.302 0.000 1.135 386 R HN 0.451 nan 8.270 nan 0.000 0.560 387 W N 4.446 125.701 121.300 -0.075 0.000 2.311 387 W HA 0.239 4.890 4.660 -0.015 0.000 0.310 387 W C -1.871 174.636 176.519 -0.019 0.000 1.274 387 W CA -2.059 55.317 57.345 0.052 0.000 1.215 387 W CB 0.659 30.124 29.460 0.007 0.000 1.227 387 W HN 0.244 nan 8.180 nan 0.000 0.523 388 P HA -0.114 nan 4.420 nan 0.000 0.262 388 P C 0.837 178.076 177.300 -0.102 0.000 1.182 388 P CA 0.291 63.370 63.100 -0.034 0.000 0.761 388 P CB 0.717 32.228 31.700 -0.314 0.000 0.795 389 V N 3.546 123.447 119.914 -0.022 0.000 2.332 389 V HA -0.295 3.816 4.120 -0.014 0.000 0.248 389 V C 2.151 178.244 176.094 -0.002 0.000 1.055 389 V CA 2.605 64.916 62.300 0.018 0.000 1.038 389 V CB -1.686 30.216 31.823 0.131 0.000 0.651 389 V HN 0.768 nan 8.190 nan 0.000 0.450 390 H N -1.242 117.893 119.070 0.108 0.000 2.456 390 H HA -0.146 4.401 4.556 -0.014 0.000 0.296 390 H C 1.884 177.267 175.328 0.093 0.000 1.079 390 H CA 1.759 57.866 56.048 0.097 0.000 1.322 390 H CB -0.507 29.313 29.762 0.096 0.000 1.388 390 H HN 0.350 nan 8.280 nan 0.000 0.538 391 L N 0.315 121.403 121.223 -0.224 0.000 2.044 391 L HA 0.016 4.347 4.340 -0.014 0.000 0.205 391 L C 2.263 179.096 176.870 -0.063 0.000 1.075 391 L CA 1.241 56.047 54.840 -0.056 0.000 0.747 391 L CB -0.541 41.477 42.059 -0.069 0.000 0.903 391 L HN 0.375 nan 8.230 nan 0.000 0.435 392 L N -0.933 120.225 121.223 -0.108 0.000 2.141 392 L HA -0.210 4.121 4.340 -0.014 0.000 0.209 392 L C 2.479 179.289 176.870 -0.100 0.000 1.094 392 L CA 1.260 56.008 54.840 -0.154 0.000 0.763 392 L CB -0.459 41.496 42.059 -0.173 0.000 0.908 392 L HN 0.382 nan 8.230 nan 0.000 0.437 393 E N -0.350 119.835 120.200 -0.025 0.000 2.077 393 E HA -0.205 4.136 4.350 -0.014 0.000 0.193 393 E C 1.927 178.568 176.600 0.068 0.000 0.989 393 E CA 1.874 58.290 56.400 0.027 0.000 0.800 393 E CB 0.150 29.906 29.700 0.093 0.000 0.746 393 E HN 0.431 nan 8.360 nan 0.000 0.452 394 T N 0.803 115.423 114.554 0.110 0.000 2.809 394 T HA -0.091 4.251 4.350 -0.014 0.000 0.260 394 T C 1.746 176.572 174.700 0.210 0.000 1.039 394 T CA 0.797 63.016 62.100 0.199 0.000 1.141 394 T CB -0.131 68.887 68.868 0.250 0.000 0.869 394 T HN 0.077 nan 8.240 nan 0.000 0.437 395 L N -0.085 121.157 121.223 0.032 0.000 2.127 395 L HA 0.361 4.692 4.340 -0.014 0.000 0.203 395 L C 0.385 177.198 176.870 -0.095 0.000 1.080 395 L CA 1.542 56.278 54.840 -0.172 0.000 0.768 395 L CB 0.058 41.972 42.059 -0.241 0.000 0.924 395 L HN 0.171 nan 8.230 nan 0.000 0.444 396 L N 0.691 121.816 121.223 -0.162 0.000 2.551 396 L HA 0.295 4.626 4.340 -0.014 0.000 0.248 396 L C -1.743 174.945 176.870 -0.302 0.000 1.509 396 L CA -0.949 53.704 54.840 -0.312 0.000 0.842 396 L CB 0.929 42.652 42.059 -0.560 0.000 1.087 396 L HN -0.057 nan 8.230 nan 0.000 0.512 397 P HA -0.185 nan 4.420 nan 0.000 0.217 397 P C 1.488 178.590 177.300 -0.331 0.000 1.150 397 P CA 1.135 64.116 63.100 -0.199 0.000 0.832 397 P CB 0.382 32.045 31.700 -0.062 0.000 0.787 398 R N -0.271 119.838 120.500 -0.652 0.000 2.092 398 R HA -0.145 4.187 4.340 -0.014 0.000 0.231 398 R C 2.336 178.308 176.300 -0.547 0.000 1.119 398 R CA 1.610 57.324 56.100 -0.643 0.000 0.970 398 R CB -1.401 28.332 30.300 -0.944 0.000 0.864 398 R HN 0.234 nan 8.270 nan 0.000 0.440 399 H N -0.311 118.434 119.070 -0.541 0.000 2.387 399 H HA -0.061 4.486 4.556 -0.014 0.000 0.299 399 H C 1.815 176.963 175.328 -0.300 0.000 1.090 399 H CA 1.653 57.472 56.048 -0.381 0.000 1.332 399 H CB -0.116 29.384 29.762 -0.437 0.000 1.386 399 H HN 0.101 nan 8.280 nan 0.000 0.516 400 L N 0.528 121.615 121.223 -0.227 0.000 2.046 400 L HA -0.255 4.077 4.340 -0.014 0.000 0.208 400 L C 1.929 178.576 176.870 -0.372 0.000 1.077 400 L CA 1.610 56.237 54.840 -0.355 0.000 0.747 400 L CB -0.297 41.571 42.059 -0.319 0.000 0.896 400 L HN 0.450 nan 8.230 nan 0.000 0.432 401 Q N -0.331 119.372 119.800 -0.162 0.000 2.096 401 Q HA -0.243 4.088 4.340 -0.014 0.000 0.204 401 Q C 2.167 178.184 176.000 0.027 0.000 0.982 401 Q CA 1.698 57.505 55.803 0.008 0.000 0.850 401 Q CB -0.114 28.633 28.738 0.014 0.000 0.901 401 Q HN 0.553 nan 8.270 nan 0.000 0.422 402 I N 0.386 120.953 120.570 -0.004 0.000 2.252 402 I HA -0.275 3.887 4.170 -0.014 0.000 0.245 402 I C 2.152 178.356 176.117 0.145 0.000 1.102 402 I CA 1.026 62.419 61.300 0.155 0.000 1.385 402 I CB -0.138 37.907 38.000 0.075 0.000 1.064 402 I HN 0.181 nan 8.210 nan 0.000 0.414 403 I N -0.460 120.107 120.570 -0.005 0.000 2.208 403 I HA -0.334 3.828 4.170 -0.014 0.000 0.245 403 I C 2.377 178.518 176.117 0.039 0.000 1.097 403 I CA 1.473 62.759 61.300 -0.024 0.000 1.363 403 I CB -0.401 37.513 38.000 -0.143 0.000 1.051 403 I HN 0.173 nan 8.210 nan 0.000 0.413 404 Y N 0.765 121.072 120.300 0.012 0.000 2.181 404 Y HA -0.269 4.273 4.550 -0.014 0.000 0.288 404 Y C 2.614 178.480 175.900 -0.058 0.000 1.146 404 Y CA 1.544 59.636 58.100 -0.014 0.000 1.164 404 Y CB -0.814 37.630 38.460 -0.027 0.000 0.982 404 Y HN 0.195 nan 8.280 nan 0.000 0.515 405 E N 0.386 120.624 120.200 0.062 0.000 2.072 405 E HA -0.144 4.197 4.350 -0.014 0.000 0.191 405 E C 2.091 178.603 176.600 -0.147 0.000 0.985 405 E CA 1.287 57.573 56.400 -0.190 0.000 0.801 405 E CB -0.541 28.847 29.700 -0.520 0.000 0.750 405 E HN 0.463 nan 8.360 nan 0.000 0.452 406 I N 0.732 121.331 120.570 0.048 0.000 2.163 406 I HA -0.317 3.845 4.170 -0.014 0.000 0.243 406 I C 2.308 178.429 176.117 0.007 0.000 1.085 406 I CA 1.479 62.758 61.300 -0.034 0.000 1.347 406 I CB -0.462 37.535 38.000 -0.006 0.000 1.044 406 I HN 0.220 nan 8.210 nan 0.000 0.408 407 N N 0.713 119.466 118.700 0.087 0.000 2.084 407 N HA -0.269 4.463 4.740 -0.014 0.000 0.190 407 N C 1.866 177.460 175.510 0.139 0.000 1.030 407 N CA 1.605 54.754 53.050 0.165 0.000 0.849 407 N CB -0.184 38.418 38.487 0.193 0.000 1.012 407 N HN 0.332 nan 8.380 nan 0.000 0.423 408 Q N 0.002 119.829 119.800 0.044 0.000 2.061 408 Q HA -0.137 4.194 4.340 -0.014 0.000 0.204 408 Q C 2.061 178.042 176.000 -0.032 0.000 0.984 408 Q CA 1.454 57.247 55.803 -0.016 0.000 0.846 408 Q CB -0.017 28.671 28.738 -0.083 0.000 0.902 408 Q HN 0.355 nan 8.270 nan 0.000 0.421 409 R N -0.689 119.768 120.500 -0.072 0.000 2.096 409 R HA -0.129 4.203 4.340 -0.014 0.000 0.235 409 R C 2.148 178.461 176.300 0.022 0.000 1.127 409 R CA 1.427 57.480 56.100 -0.078 0.000 0.968 409 R CB -0.366 29.832 30.300 -0.170 0.000 0.861 409 R HN 0.284 nan 8.270 nan 0.000 0.440 410 F N 1.246 121.161 119.950 -0.059 0.000 2.113 410 F HA -0.109 4.409 4.527 -0.015 0.000 0.297 410 F C 1.767 177.586 175.800 0.031 0.000 1.103 410 F CA 1.375 59.391 58.000 0.026 0.000 1.248 410 F CB -0.126 38.922 39.000 0.080 0.000 0.999 410 F HN -0.100 nan 8.300 nan 0.000 0.475 411 L N -0.051 121.182 121.223 0.017 0.000 2.141 411 L HA -0.212 4.119 4.340 -0.014 0.000 0.209 411 L C 1.949 178.754 176.870 -0.108 0.000 1.094 411 L CA 1.483 56.276 54.840 -0.079 0.000 0.763 411 L CB -0.864 41.210 42.059 0.026 0.000 0.908 411 L HN 0.242 nan 8.230 nan 0.000 0.437 412 N N -0.206 118.447 118.700 -0.078 0.000 2.223 412 N HA -0.160 4.571 4.740 -0.014 0.000 0.185 412 N C 1.917 177.372 175.510 -0.093 0.000 1.016 412 N CA 0.705 53.710 53.050 -0.074 0.000 0.863 412 N CB 0.008 38.457 38.487 -0.062 0.000 0.983 412 N HN 0.272 nan 8.380 nan 0.000 0.429 413 R N 0.561 120.984 120.500 -0.128 0.000 2.075 413 R HA -0.043 4.288 4.340 -0.014 0.000 0.232 413 R C 2.186 178.385 176.300 -0.169 0.000 1.126 413 R CA 0.870 56.888 56.100 -0.137 0.000 0.963 413 R CB -0.275 29.943 30.300 -0.136 0.000 0.858 413 R HN 0.065 nan 8.270 nan 0.000 0.435 414 V N 0.858 120.615 119.914 -0.260 0.000 2.295 414 V HA -0.249 3.862 4.120 -0.014 0.000 0.246 414 V C 2.403 178.500 176.094 0.006 0.000 1.049 414 V CA 2.015 64.233 62.300 -0.137 0.000 1.024 414 V CB -0.738 30.926 31.823 -0.265 0.000 0.648 414 V HN 0.424 nan 8.190 nan 0.000 0.447 415 A N -0.016 122.776 122.820 -0.047 0.000 1.933 415 A HA -0.108 4.204 4.320 -0.014 0.000 0.218 415 A C 2.387 179.953 177.584 -0.030 0.000 1.175 415 A CA 2.092 54.118 52.037 -0.019 0.000 0.628 415 A CB -0.725 18.255 19.000 -0.035 0.000 0.814 415 A HN 0.583 nan 8.150 nan 0.000 0.444 416 A N -0.505 122.278 122.820 -0.062 0.000 1.969 416 A HA 0.272 4.583 4.320 -0.014 0.000 0.218 416 A C 2.386 179.889 177.584 -0.136 0.000 1.169 416 A CA 1.761 53.749 52.037 -0.081 0.000 0.635 416 A CB -0.697 18.258 19.000 -0.075 0.000 0.810 416 A HN 0.963 nan 8.150 nan 0.000 0.445 417 A N -1.590 121.115 122.820 -0.191 0.000 1.975 417 A HA 0.354 4.666 4.320 -0.014 0.000 0.215 417 A C 0.483 177.644 177.584 -0.704 0.000 1.170 417 A CA 0.570 52.332 52.037 -0.458 0.000 0.656 417 A CB -0.175 18.500 19.000 -0.541 0.000 0.821 417 A HN 0.432 nan 8.150 nan 0.000 0.449 418 F N -0.053 119.848 119.950 -0.082 0.000 2.622 418 F HA 0.345 4.863 4.527 -0.015 0.000 0.338 418 F C -2.811 172.951 175.800 -0.063 0.000 1.334 418 F CA -2.696 55.262 58.000 -0.071 0.000 1.179 418 F CB 0.885 39.834 39.000 -0.084 0.000 1.471 418 F HN -0.067 nan 8.300 nan 0.000 0.576 419 P HA 0.215 nan 4.420 nan 0.000 0.267 419 P C 0.995 178.314 177.300 0.032 0.000 1.205 419 P CA 0.913 64.025 63.100 0.019 0.000 0.765 419 P CB 0.987 32.679 31.700 -0.012 0.000 0.828 420 G N 2.419 111.231 108.800 0.019 0.000 2.205 420 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.261 420 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.261 420 G C 0.327 175.236 174.900 0.014 0.000 0.980 420 G CA 0.011 45.118 45.100 0.013 0.000 0.632 420 G HN 0.597 nan 8.290 nan 0.000 0.533 421 D N 1.438 121.855 120.400 0.028 0.000 2.551 421 D HA 0.393 5.024 4.640 -0.014 0.000 0.223 421 D C 2.090 178.379 176.300 -0.018 0.000 1.144 421 D CA 0.407 54.410 54.000 0.005 0.000 1.025 421 D CB 0.376 41.180 40.800 0.008 0.000 1.085 421 D HN 0.568 nan 8.370 nan 0.000 0.506 422 V N 0.574 120.479 119.914 -0.014 0.000 2.515 422 V HA -0.128 3.983 4.120 -0.014 0.000 0.250 422 V C 1.812 177.894 176.094 -0.021 0.000 1.058 422 V CA 1.416 63.707 62.300 -0.015 0.000 1.064 422 V CB -0.468 31.350 31.823 -0.008 0.000 0.675 422 V HN 0.211 nan 8.190 nan 0.000 0.461 423 D N 0.359 120.743 120.400 -0.026 0.000 2.178 423 D HA -0.159 4.473 4.640 -0.014 0.000 0.202 423 D C 2.338 178.610 176.300 -0.048 0.000 0.974 423 D CA 1.249 55.233 54.000 -0.027 0.000 0.841 423 D CB -0.186 40.599 40.800 -0.025 0.000 0.953 423 D HN 0.414 nan 8.370 nan 0.000 0.478 424 R N -0.135 120.311 120.500 -0.089 0.000 2.091 424 R HA -0.107 4.224 4.340 -0.014 0.000 0.238 424 R C 2.269 178.497 176.300 -0.120 0.000 1.136 424 R CA 0.973 56.981 56.100 -0.154 0.000 0.959 424 R CB -0.267 29.878 30.300 -0.258 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.437 425 L N 0.611 121.789 121.223 -0.074 0.000 2.012 425 L HA -0.237 4.094 4.340 -0.014 0.000 0.210 425 L C 2.748 179.624 176.870 0.009 0.000 1.073 425 L CA 2.056 56.873 54.840 -0.038 0.000 0.748 425 L CB -0.568 41.478 42.059 -0.021 0.000 0.891 425 L HN 0.328 nan 8.230 nan 0.000 0.431 426 R N 0.084 120.594 120.500 0.016 0.000 2.092 426 R HA -0.106 4.225 4.340 -0.014 0.000 0.231 426 R C 2.245 178.597 176.300 0.087 0.000 1.119 426 R CA 0.976 57.107 56.100 0.053 0.000 0.970 426 R CB -0.433 29.892 30.300 0.041 0.000 0.864 426 R HN 0.233 nan 8.270 nan 0.000 0.440 427 R N 0.255 120.788 120.500 0.054 0.000 2.092 427 R HA 0.085 4.416 4.340 -0.014 0.000 0.231 427 R C 2.105 178.490 176.300 0.143 0.000 1.119 427 R CA 1.713 57.871 56.100 0.097 0.000 0.970 427 R CB -0.153 30.163 30.300 0.026 0.000 0.864 427 R HN 0.332 nan 8.270 nan 0.000 0.440 428 M N 0.146 119.747 119.600 0.002 0.000 2.509 428 M HA 0.044 4.516 4.480 -0.014 0.000 0.250 428 M C 0.853 177.296 176.300 0.238 0.000 1.132 428 M CA 0.009 55.244 55.300 -0.108 0.000 1.080 428 M CB 0.445 32.835 32.600 -0.350 0.000 1.408 428 M HN -0.080 nan 8.290 nan 0.000 0.484 429 S N 1.177 117.036 115.700 0.265 0.000 2.558 429 S HA 0.061 4.522 4.470 -0.014 0.000 0.288 429 S C 1.173 176.025 174.600 0.419 0.000 1.318 429 S CA -0.288 58.096 58.200 0.306 0.000 1.056 429 S CB 0.569 63.892 63.200 0.206 0.000 0.853 429 S HN 0.369 nan 8.310 nan 0.000 0.505 430 L N 4.236 125.656 121.223 0.329 0.000 2.217 430 L HA 0.061 4.392 4.340 -0.014 0.000 0.211 430 L C 0.454 177.434 176.870 0.182 0.000 1.107 430 L CA 0.420 55.412 54.840 0.254 0.000 0.783 430 L CB -0.504 41.645 42.059 0.150 0.000 0.919 430 L HN 0.426 nan 8.230 nan 0.000 0.442 431 V N 1.040 121.074 119.914 0.200 0.000 2.385 431 V HA 0.128 4.240 4.120 -0.014 0.000 0.269 431 V C 0.171 176.353 176.094 0.147 0.000 1.043 431 V CA -0.492 61.915 62.300 0.178 0.000 0.906 431 V CB 1.111 33.073 31.823 0.232 0.000 0.995 431 V HN 0.185 nan 8.190 nan 0.000 0.467 432 E N 3.317 123.582 120.200 0.109 0.000 2.167 432 E HA 0.319 4.660 4.350 -0.014 0.000 0.284 432 E C -0.458 176.193 176.600 0.086 0.000 1.016 432 E CA -0.421 56.032 56.400 0.088 0.000 0.817 432 E CB 1.597 31.325 29.700 0.047 0.000 1.080 432 E HN 0.637 nan 8.360 nan 0.000 0.397 433 E N 1.500 121.748 120.200 0.080 0.000 2.319 433 E HA 0.560 4.901 4.350 -0.014 0.000 0.268 433 E C -0.013 176.624 176.600 0.062 0.000 1.050 433 E CA 0.179 56.621 56.400 0.070 0.000 0.878 433 E CB 1.292 31.027 29.700 0.059 0.000 1.066 433 E HN 0.612 nan 8.360 nan 0.000 0.406 434 G N 0.794 109.630 108.800 0.061 0.000 2.360 434 G HA2 0.338 4.289 3.960 -0.014 0.000 0.276 434 G HA3 0.338 4.289 3.960 -0.014 0.000 0.276 434 G C 0.235 175.170 174.900 0.059 0.000 1.256 434 G CA 0.075 45.208 45.100 0.055 0.000 0.890 434 G HN 0.587 nan 8.290 nan 0.000 0.486 435 A N -0.931 121.923 122.820 0.057 0.000 1.859 435 A HA 0.319 4.630 4.320 -0.014 0.000 0.217 435 A C 1.563 179.194 177.584 0.077 0.000 1.198 435 A CA 3.160 55.232 52.037 0.058 0.000 0.629 435 A CB -1.199 17.834 19.000 0.054 0.000 0.830 435 A HN 2.136 nan 8.150 nan 0.000 0.446 436 V N -2.747 117.225 119.914 0.097 0.000 2.435 436 V HA 0.492 4.603 4.120 -0.014 0.000 0.290 436 V C -0.360 175.809 176.094 0.126 0.000 1.030 436 V CA -1.388 60.995 62.300 0.138 0.000 0.881 436 V CB 1.351 33.286 31.823 0.186 0.000 0.983 436 V HN 0.273 nan 8.190 nan 0.000 0.445 437 K N 4.156 124.640 120.400 0.140 0.000 2.368 437 K HA 0.440 4.751 4.320 -0.014 0.000 0.282 437 K C -0.305 176.367 176.600 0.119 0.000 1.035 437 K CA -0.061 56.303 56.287 0.128 0.000 0.973 437 K CB 0.820 33.409 32.500 0.148 0.000 0.957 437 K HN 0.739 nan 8.250 nan 0.000 0.474 438 R N 2.041 122.599 120.500 0.096 0.000 2.807 438 R HA 0.464 4.795 4.340 -0.014 0.000 0.276 438 R C -0.488 175.851 176.300 0.064 0.000 0.979 438 R CA -1.028 55.116 56.100 0.073 0.000 0.928 438 R CB 1.358 31.681 30.300 0.039 0.000 1.191 438 R HN 0.370 nan 8.270 nan 0.000 0.471 439 I N 2.105 122.710 120.570 0.058 0.000 2.315 439 I HA 0.124 4.285 4.170 -0.014 0.000 0.291 439 I C 0.033 176.132 176.117 -0.031 0.000 1.006 439 I CA -0.655 60.666 61.300 0.034 0.000 1.265 439 I CB 0.954 38.975 38.000 0.034 0.000 1.387 439 I HN 0.500 nan 8.210 nan 0.000 0.475 440 N N 7.115 125.766 118.700 -0.082 0.000 2.402 440 N HA 0.074 4.805 4.740 -0.014 0.000 0.252 440 N C 0.822 176.227 175.510 -0.176 0.000 1.118 440 N CA -0.311 52.604 53.050 -0.224 0.000 0.945 440 N CB 0.938 39.129 38.487 -0.494 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.496 121.994 119.600 -0.170 0.000 2.229 441 M HA -0.057 4.414 4.480 -0.014 0.000 0.264 441 M C 1.973 178.119 176.300 -0.256 0.000 1.063 441 M CA 0.717 55.935 55.300 -0.137 0.000 1.114 441 M CB -1.591 30.978 32.600 -0.053 0.000 1.387 441 M HN 0.604 nan 8.290 nan 0.000 0.420 442 A N -0.401 122.257 122.820 -0.269 0.000 1.902 442 A HA -0.184 4.127 4.320 -0.014 0.000 0.217 442 A C 2.014 179.332 177.584 -0.443 0.000 1.181 442 A CA 1.572 53.392 52.037 -0.361 0.000 0.623 442 A CB -1.151 17.854 19.000 0.009 0.000 0.818 442 A HN 0.600 nan 8.150 nan 0.000 0.443 443 H N -1.078 117.751 119.070 -0.402 0.000 2.353 443 H HA -0.043 4.505 4.556 -0.015 0.000 0.300 443 H C 2.143 177.231 175.328 -0.400 0.000 1.090 443 H CA 0.981 56.763 56.048 -0.444 0.000 1.327 443 H CB -0.088 29.639 29.762 -0.057 0.000 1.383 443 H HN 0.366 nan 8.280 nan 0.000 0.508 444 L N 0.414 121.546 121.223 -0.152 0.000 2.012 444 L HA -0.250 4.082 4.340 -0.014 0.000 0.210 444 L C 2.350 179.079 176.870 -0.236 0.000 1.073 444 L CA 1.378 56.128 54.840 -0.149 0.000 0.748 444 L CB -0.407 41.594 42.059 -0.097 0.000 0.891 444 L HN 0.457 nan 8.230 nan 0.000 0.431 445 C N -0.088 118.966 119.300 -0.411 0.000 2.429 445 C HA -0.172 4.279 4.460 -0.014 0.000 0.277 445 C C 2.649 177.373 174.990 -0.443 0.000 1.262 445 C CA 0.617 59.313 59.018 -0.537 0.000 1.733 445 C CB -0.747 26.286 27.740 -1.178 0.000 2.010 445 C HN 0.507 nan 8.230 nan 0.000 0.483 446 I N 1.388 121.642 120.570 -0.526 0.000 2.202 446 I HA -0.176 3.985 4.170 -0.014 0.000 0.242 446 I C 2.762 178.739 176.117 -0.233 0.000 1.091 446 I CA 1.583 62.632 61.300 -0.419 0.000 1.368 446 I CB -0.598 37.018 38.000 -0.640 0.000 1.058 446 I HN 0.250 nan 8.210 nan 0.000 0.410 447 A N 0.651 123.304 122.820 -0.278 0.000 1.908 447 A HA -0.143 4.168 4.320 -0.014 0.000 0.218 447 A C 2.233 179.889 177.584 0.120 0.000 1.181 447 A CA 2.033 53.969 52.037 -0.169 0.000 0.627 447 A CB -1.263 17.439 19.000 -0.496 0.000 0.818 447 A HN 0.489 nan 8.150 nan 0.000 0.445 448 G N -1.341 107.449 108.800 -0.016 0.000 3.284 448 G HA2 0.411 4.362 3.960 -0.014 0.000 0.236 448 G HA3 0.411 4.362 3.960 -0.014 0.000 0.236 448 G C 0.124 174.860 174.900 -0.273 0.000 1.158 448 G CA 0.515 45.474 45.100 -0.234 0.000 0.774 448 G HN 0.355 nan 8.290 nan 0.000 0.545 449 S N -0.230 115.366 115.700 -0.173 0.000 2.536 449 S HA 0.310 4.772 4.470 -0.014 0.000 0.298 449 S C 0.804 175.347 174.600 -0.095 0.000 1.083 449 S CA -0.699 57.420 58.200 -0.135 0.000 0.995 449 S CB 1.264 64.387 63.200 -0.128 0.000 1.058 449 S HN 0.507 nan 8.310 nan 0.000 0.488 450 H N 0.113 119.147 119.070 -0.059 0.000 2.548 450 H HA 0.447 4.994 4.556 -0.015 0.000 0.268 450 H C 0.152 175.471 175.328 -0.016 0.000 0.975 450 H CA 0.355 56.397 56.048 -0.009 0.000 1.195 450 H CB 0.142 29.912 29.762 0.013 0.000 1.397 450 H HN 0.507 nan 8.280 nan 0.000 0.572 451 A N 0.999 123.508 122.820 -0.518 0.000 2.488 451 A HA 0.557 4.869 4.320 -0.014 0.000 0.298 451 A C -1.406 175.972 177.584 -0.343 0.000 1.044 451 A CA -0.578 51.212 52.037 -0.411 0.000 0.693 451 A CB 2.250 20.973 19.000 -0.461 0.000 1.272 451 A HN 0.100 nan 8.150 nan 0.000 0.402 452 V N 4.192 123.869 119.914 -0.395 0.000 2.577 452 V HA 0.542 4.654 4.120 -0.014 0.000 0.303 452 V C -0.806 175.100 176.094 -0.313 0.000 1.042 452 V CA -0.768 61.289 62.300 -0.405 0.000 0.872 452 V CB 1.835 33.242 31.823 -0.694 0.000 0.998 452 V HN 1.019 nan 8.190 nan 0.000 0.423 453 N N 3.155 121.695 118.700 -0.267 0.000 2.229 453 N HA 0.613 5.344 4.740 -0.014 0.000 0.298 453 N C -0.248 175.161 175.510 -0.168 0.000 1.114 453 N CA -0.370 52.567 53.050 -0.189 0.000 0.776 453 N CB 2.866 41.217 38.487 -0.226 0.000 1.501 453 N HN 0.631 nan 8.380 nan 0.000 0.474 454 G N -0.760 107.976 108.800 -0.107 0.000 2.537 454 G HA2 0.432 4.383 3.960 -0.014 0.000 0.297 454 G HA3 0.432 4.383 3.960 -0.014 0.000 0.297 454 G C 0.692 175.652 174.900 0.101 0.000 1.310 454 G CA -0.412 44.683 45.100 -0.008 0.000 1.027 454 G HN 0.662 nan 8.290 nan 0.000 0.505 455 V N -4.003 116.089 119.914 0.297 0.000 3.380 455 V HA 0.708 4.819 4.120 -0.014 0.000 0.307 455 V C 0.480 176.649 176.094 0.124 0.000 1.434 455 V CA 0.357 62.735 62.300 0.129 0.000 1.075 455 V CB -0.629 31.214 31.823 0.034 0.000 0.954 455 V HN 1.371 nan 8.190 nan 0.000 0.444 456 A N 0.048 122.955 122.820 0.144 0.000 2.605 456 A HA 0.643 4.955 4.320 -0.014 0.000 0.294 456 A C 0.675 178.306 177.584 0.079 0.000 1.062 456 A CA -0.094 52.006 52.037 0.104 0.000 0.682 456 A CB 1.266 20.316 19.000 0.083 0.000 1.278 456 A HN 0.034 nan 8.150 nan 0.000 0.410 457 R N 0.988 121.514 120.500 0.043 0.000 2.096 457 R HA -0.151 4.180 4.340 -0.014 0.000 0.240 457 R C 1.600 177.895 176.300 -0.008 0.000 1.139 457 R CA 2.258 58.361 56.100 0.005 0.000 0.952 457 R CB -0.209 30.090 30.300 -0.003 0.000 0.854 457 R HN 0.828 nan 8.270 nan 0.000 0.436 458 I N 0.293 120.867 120.570 0.007 0.000 2.315 458 I HA -0.286 3.875 4.170 -0.014 0.000 0.248 458 I C 2.338 178.460 176.117 0.010 0.000 1.117 458 I CA 1.777 63.073 61.300 -0.006 0.000 1.404 458 I CB -0.227 37.769 38.000 -0.007 0.000 1.071 458 I HN 0.344 nan 8.210 nan 0.000 0.419 459 H N 0.307 119.345 119.070 -0.053 0.000 2.326 459 H HA -0.125 4.422 4.556 -0.015 0.000 0.301 459 H C 2.275 177.566 175.328 -0.063 0.000 1.081 459 H CA 2.219 58.230 56.048 -0.062 0.000 1.334 459 H CB -0.277 29.452 29.762 -0.054 0.000 1.385 459 H HN 0.229 nan 8.280 nan 0.000 0.504 460 S N 0.367 115.940 115.700 -0.212 0.000 2.382 460 S HA -0.131 4.330 4.470 -0.014 0.000 0.228 460 S C 1.911 176.385 174.600 -0.210 0.000 1.027 460 S CA 1.232 59.289 58.200 -0.238 0.000 0.991 460 S CB -0.087 63.048 63.200 -0.109 0.000 0.823 460 S HN 0.485 nan 8.310 nan 0.000 0.469 461 E N 1.188 121.288 120.200 -0.166 0.000 2.072 461 E HA -0.025 4.317 4.350 -0.014 0.000 0.191 461 E C 2.037 178.519 176.600 -0.197 0.000 0.985 461 E CA 0.685 56.977 56.400 -0.180 0.000 0.801 461 E CB -0.421 29.206 29.700 -0.122 0.000 0.750 461 E HN 0.504 nan 8.360 nan 0.000 0.452 462 I N 1.028 121.497 120.570 -0.168 0.000 2.264 462 I HA -0.287 3.874 4.170 -0.014 0.000 0.248 462 I C 2.425 178.410 176.117 -0.219 0.000 1.111 462 I CA 0.829 62.033 61.300 -0.160 0.000 1.382 462 I CB -0.248 37.692 38.000 -0.100 0.000 1.060 462 I HN 0.070 nan 8.210 nan 0.000 0.418 463 L N 0.389 121.442 121.223 -0.284 0.000 2.012 463 L HA -0.246 4.085 4.340 -0.014 0.000 0.210 463 L C 2.471 179.217 176.870 -0.206 0.000 1.073 463 L CA 1.664 56.353 54.840 -0.252 0.000 0.748 463 L CB -0.605 41.383 42.059 -0.119 0.000 0.891 463 L HN 0.228 nan 8.230 nan 0.000 0.431 464 K N -0.187 120.018 120.400 -0.325 0.000 2.296 464 K HA -0.114 4.197 4.320 -0.014 0.000 0.200 464 K C 1.990 178.378 176.600 -0.353 0.000 1.048 464 K CA 0.848 56.799 56.287 -0.560 0.000 0.966 464 K CB 0.087 31.989 32.500 -0.996 0.000 0.754 464 K HN 0.227 nan 8.250 nan 0.000 0.466 465 K N -0.047 120.209 120.400 -0.241 0.000 2.284 465 K HA -0.017 4.294 4.320 -0.014 0.000 0.198 465 K C 1.749 178.291 176.600 -0.097 0.000 1.048 465 K CA 1.144 57.345 56.287 -0.144 0.000 0.987 465 K CB 0.569 32.993 32.500 -0.127 0.000 0.800 465 K HN 0.235 nan 8.250 nan 0.000 0.486 466 T N -1.680 112.804 114.554 -0.116 0.000 2.995 466 T HA 0.079 4.420 4.350 -0.014 0.000 0.170 466 T C 1.814 176.460 174.700 -0.090 0.000 0.844 466 T CA 0.017 62.061 62.100 -0.094 0.000 1.137 466 T CB -0.734 68.071 68.868 -0.105 0.000 2.193 466 T HN 0.061 nan 8.240 nan 0.000 0.384 467 I N -0.632 119.817 120.570 -0.201 0.000 2.335 467 I HA 0.157 4.318 4.170 -0.014 0.000 0.251 467 I C 1.553 177.650 176.117 -0.034 0.000 1.129 467 I CA 1.504 62.658 61.300 -0.243 0.000 1.402 467 I CB -0.724 36.952 38.000 -0.540 0.000 1.069 467 I HN 0.245 nan 8.210 nan 0.000 0.424 468 F N 0.831 120.852 119.950 0.119 0.000 2.708 468 F HA 0.326 4.844 4.527 -0.015 0.000 0.300 468 F C 2.040 177.927 175.800 0.145 0.000 1.118 468 F CA -0.636 57.505 58.000 0.234 0.000 1.307 468 F CB 0.133 39.269 39.000 0.226 0.000 0.986 468 F HN -0.096 nan 8.300 nan 0.000 0.522 469 K N 1.125 121.635 120.400 0.184 0.000 2.044 469 K HA -0.225 4.087 4.320 -0.014 0.000 0.210 469 K C 1.372 178.026 176.600 0.089 0.000 1.049 469 K CA 2.258 58.594 56.287 0.082 0.000 0.927 469 K CB -0.031 32.484 32.500 0.024 0.000 0.713 469 K HN 0.135 nan 8.250 nan 0.000 0.443 470 D N -0.163 120.266 120.400 0.048 0.000 2.123 470 D HA -0.169 4.463 4.640 -0.014 0.000 0.196 470 D C 1.805 178.011 176.300 -0.157 0.000 0.992 470 D CA 1.293 55.188 54.000 -0.175 0.000 0.833 470 D CB -0.286 40.311 40.800 -0.338 0.000 0.954 470 D HN 0.256 nan 8.370 nan 0.000 0.455 471 F N -0.311 119.708 119.950 0.115 0.000 2.163 471 F HA -0.125 4.394 4.527 -0.014 0.000 0.297 471 F C 2.340 178.283 175.800 0.239 0.000 1.094 471 F CA 0.459 58.610 58.000 0.253 0.000 1.290 471 F CB -0.682 38.544 39.000 0.377 0.000 1.017 471 F HN -0.044 nan 8.300 nan 0.000 0.483 472 Y N 1.456 121.711 120.300 -0.074 0.000 2.181 472 Y HA -0.223 4.319 4.550 -0.014 0.000 0.288 472 Y C 2.147 178.028 175.900 -0.032 0.000 1.146 472 Y CA 1.711 59.584 58.100 -0.380 0.000 1.164 472 Y CB -0.650 37.404 38.460 -0.677 0.000 0.982 472 Y HN 0.134 nan 8.280 nan 0.000 0.515 473 E N -0.365 119.779 120.200 -0.093 0.000 2.110 473 E HA -0.212 4.129 4.350 -0.014 0.000 0.193 473 E C 2.030 178.692 176.600 0.105 0.000 0.988 473 E CA 1.282 57.642 56.400 -0.066 0.000 0.804 473 E CB -0.303 29.394 29.700 -0.005 0.000 0.745 473 E HN 0.448 nan 8.360 nan 0.000 0.458 474 L N 0.930 122.256 121.223 0.171 0.000 2.044 474 L HA -0.065 4.266 4.340 -0.014 0.000 0.205 474 L C 0.269 177.229 176.870 0.150 0.000 1.075 474 L CA 1.693 56.676 54.840 0.240 0.000 0.747 474 L CB 0.351 42.542 42.059 0.220 0.000 0.903 474 L HN -0.096 nan 8.230 nan 0.000 0.435 475 E N -0.162 120.122 120.200 0.139 0.000 3.386 475 E HA 0.182 4.523 4.350 -0.014 0.000 0.236 475 E C -1.998 174.545 176.600 -0.095 0.000 1.227 475 E CA -1.253 55.141 56.400 -0.010 0.000 0.970 475 E CB 0.776 30.464 29.700 -0.019 0.000 1.343 475 E HN 0.218 nan 8.360 nan 0.000 0.397 476 P HA -0.238 nan 4.420 nan 0.000 0.218 476 P C 1.203 178.601 177.300 0.163 0.000 1.149 476 P CA 1.329 64.331 63.100 -0.162 0.000 0.817 476 P CB -0.039 31.429 31.700 -0.386 0.000 0.785 477 H N 0.327 119.502 119.070 0.176 0.000 2.489 477 H HA 0.040 4.588 4.556 -0.015 0.000 0.293 477 H C 1.467 176.890 175.328 0.159 0.000 1.066 477 H CA 0.844 56.985 56.048 0.155 0.000 1.305 477 H CB -0.714 29.110 29.762 0.103 0.000 1.386 477 H HN 0.153 nan 8.280 nan 0.000 0.551 478 K N 0.286 120.576 120.400 -0.185 0.000 2.211 478 K HA 0.014 4.325 4.320 -0.014 0.000 0.203 478 K C -0.135 176.335 176.600 -0.217 0.000 1.050 478 K CA 0.383 56.551 56.287 -0.197 0.000 0.945 478 K CB 0.063 32.322 32.500 -0.400 0.000 0.732 478 K HN 0.116 nan 8.250 nan 0.000 0.451 479 F N 1.693 121.674 119.950 0.051 0.000 2.411 479 F HA 0.189 4.707 4.527 -0.015 0.000 0.355 479 F C 0.436 176.243 175.800 0.012 0.000 1.117 479 F CA -0.278 57.755 58.000 0.056 0.000 1.139 479 F CB 1.022 40.116 39.000 0.155 0.000 1.120 479 F HN -0.119 nan 8.300 nan 0.000 0.493 480 Q N 1.887 121.720 119.800 0.056 0.000 2.528 480 Q HA 0.340 4.671 4.340 -0.014 0.000 0.289 480 Q C -1.124 174.838 176.000 -0.063 0.000 1.091 480 Q CA -1.227 54.560 55.803 -0.025 0.000 0.797 480 Q CB 3.141 31.810 28.738 -0.115 0.000 1.466 480 Q HN 0.606 nan 8.270 nan 0.000 0.436 481 N N 0.851 119.497 118.700 -0.090 0.000 2.361 481 N HA 0.258 4.990 4.740 -0.014 0.000 0.302 481 N C -1.383 174.026 175.510 -0.169 0.000 1.074 481 N CA -0.368 52.622 53.050 -0.100 0.000 0.850 481 N CB 0.910 39.360 38.487 -0.062 0.000 1.228 481 N HN 0.273 nan 8.380 nan 0.000 0.491 482 K N 2.779 123.077 120.400 -0.170 0.000 2.675 482 K HA 0.180 4.491 4.320 -0.014 0.000 0.224 482 K C -0.943 175.654 176.600 -0.005 0.000 1.003 482 K CA -0.496 55.662 56.287 -0.215 0.000 1.034 482 K CB 1.259 33.391 32.500 -0.614 0.000 1.218 482 K HN 0.533 nan 8.250 nan 0.000 0.507 483 T N 2.174 116.748 114.554 0.032 0.000 2.902 483 T HA 0.042 4.383 4.350 -0.014 0.000 0.301 483 T C 0.794 175.619 174.700 0.208 0.000 1.012 483 T CA 0.377 62.550 62.100 0.121 0.000 1.151 483 T CB 0.217 69.162 68.868 0.127 0.000 0.946 483 T HN 0.363 nan 8.240 nan 0.000 0.542 484 N N 0.708 119.551 118.700 0.239 0.000 2.267 484 N HA 0.373 5.104 4.740 -0.014 0.000 0.226 484 N C 0.488 176.186 175.510 0.314 0.000 1.314 484 N CA -0.080 53.146 53.050 0.293 0.000 0.887 484 N CB 0.368 38.961 38.487 0.178 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.624 108.370 108.800 0.323 0.000 2.682 485 G HA2 0.601 4.552 3.960 -0.014 0.000 0.290 485 G HA3 0.601 4.552 3.960 -0.014 0.000 0.290 485 G C -1.385 173.644 174.900 0.217 0.000 1.425 485 G CA -0.744 44.531 45.100 0.292 0.000 0.807 485 G HN 0.605 nan 8.290 nan 0.000 0.482 486 I N -2.326 118.356 120.570 0.187 0.000 2.785 486 I HA 0.747 4.908 4.170 -0.014 0.000 0.302 486 I C -0.155 176.118 176.117 0.259 0.000 1.069 486 I CA -0.933 60.467 61.300 0.167 0.000 1.045 486 I CB 2.470 40.452 38.000 -0.030 0.000 1.236 486 I HN 0.486 nan 8.210 nan 0.000 0.429 487 T N 4.500 119.266 114.554 0.352 0.000 2.779 487 T HA 0.329 4.671 4.350 -0.014 0.000 0.296 487 T C -1.401 173.421 174.700 0.204 0.000 0.938 487 T CA -1.498 60.736 62.100 0.223 0.000 1.119 487 T CB 0.668 69.612 68.868 0.126 0.000 0.891 487 T HN 0.635 nan 8.240 nan 0.000 0.526 488 P HA 0.050 nan 4.420 nan 0.000 0.237 488 P C 1.085 178.353 177.300 -0.055 0.000 1.178 488 P CA 0.300 63.438 63.100 0.063 0.000 0.766 488 P CB 0.350 32.071 31.700 0.034 0.000 0.876 489 R N 0.496 120.917 120.500 -0.132 0.000 2.060 489 R HA 0.008 4.339 4.340 -0.014 0.000 0.225 489 R C 2.679 178.854 176.300 -0.207 0.000 1.155 489 R CA 1.547 57.525 56.100 -0.203 0.000 0.930 489 R CB -1.238 28.946 30.300 -0.193 0.000 0.829 489 R HN 0.027 nan 8.270 nan 0.000 0.433 490 R N -0.827 119.488 120.500 -0.308 0.000 2.081 490 R HA -0.136 4.195 4.340 -0.014 0.000 0.235 490 R C 1.073 177.011 176.300 -0.604 0.000 1.131 490 R CA 1.765 57.514 56.100 -0.584 0.000 0.960 490 R CB -0.171 29.559 30.300 -0.949 0.000 0.856 490 R HN 0.314 nan 8.270 nan 0.000 0.436 491 W N -0.577 120.675 121.300 -0.079 0.000 3.316 491 W HA 0.175 4.826 4.660 -0.015 0.000 0.327 491 W C 0.945 177.430 176.519 -0.057 0.000 1.232 491 W CA -0.725 56.572 57.345 -0.079 0.000 1.805 491 W CB 0.493 29.910 29.460 -0.071 0.000 1.090 491 W HN 0.218 nan 8.180 nan 0.000 0.654 492 L N -2.325 118.953 121.223 0.091 0.000 2.511 492 L HA 0.192 4.523 4.340 -0.014 0.000 0.173 492 L C 1.716 178.599 176.870 0.021 0.000 1.160 492 L CA 0.767 55.655 54.840 0.079 0.000 0.964 492 L CB -0.812 41.322 42.059 0.124 0.000 1.892 492 L HN -0.251 nan 8.230 nan 0.000 0.497 493 V N 1.092 120.994 119.914 -0.021 0.000 2.295 493 V HA -0.257 3.854 4.120 -0.014 0.000 0.246 493 V C 2.436 178.498 176.094 -0.052 0.000 1.049 493 V CA 2.447 64.725 62.300 -0.036 0.000 1.024 493 V CB -0.645 31.126 31.823 -0.088 0.000 0.648 493 V HN 0.509 nan 8.190 nan 0.000 0.447 494 L N 0.465 121.626 121.223 -0.103 0.000 2.023 494 L HA -0.179 4.152 4.340 -0.014 0.000 0.205 494 L C 2.497 179.300 176.870 -0.112 0.000 1.073 494 L CA 2.399 57.163 54.840 -0.127 0.000 0.745 494 L CB -0.261 41.670 42.059 -0.213 0.000 0.900 494 L HN 0.645 nan 8.230 nan 0.000 0.435 495 C N -1.801 117.428 119.300 -0.120 0.000 2.533 495 C HA 0.204 4.655 4.460 -0.014 0.000 0.272 495 C C 1.211 176.181 174.990 -0.033 0.000 1.371 495 C CA -0.283 58.683 59.018 -0.088 0.000 1.758 495 C CB -0.962 26.724 27.740 -0.090 0.000 1.972 495 C HN 0.588 nan 8.230 nan 0.000 0.522 496 N N 1.232 119.925 118.700 -0.013 0.000 2.733 496 N HA 0.294 5.026 4.740 -0.014 0.000 0.271 496 N C -1.776 173.744 175.510 0.016 0.000 1.720 496 N CA -1.651 51.404 53.050 0.007 0.000 0.803 496 N CB 0.782 39.282 38.487 0.022 0.000 1.208 496 N HN 0.251 nan 8.380 nan 0.000 0.498 497 P HA -0.056 nan 4.420 nan 0.000 0.217 497 P C 1.423 178.737 177.300 0.024 0.000 1.150 497 P CA 0.947 64.056 63.100 0.015 0.000 0.832 497 P CB 0.226 31.928 31.700 0.002 0.000 0.787 498 G N 0.720 109.529 108.800 0.015 0.000 2.476 498 G HA2 -0.267 3.684 3.960 -0.014 0.000 0.218 498 G HA3 -0.267 3.684 3.960 -0.014 0.000 0.218 498 G C 1.544 176.452 174.900 0.014 0.000 1.164 498 G CA 0.834 45.940 45.100 0.011 0.000 0.768 498 G HN 0.254 nan 8.290 nan 0.000 0.560 499 L N 1.278 122.511 121.223 0.016 0.000 2.056 499 L HA 0.234 4.565 4.340 -0.014 0.000 0.207 499 L C 3.101 180.004 176.870 0.055 0.000 1.078 499 L CA 2.054 56.904 54.840 0.017 0.000 0.749 499 L CB -0.779 41.290 42.059 0.016 0.000 0.901 499 L HN 0.241 nan 8.230 nan 0.000 0.433 500 A N -0.731 122.142 122.820 0.089 0.000 1.908 500 A HA -0.272 4.039 4.320 -0.014 0.000 0.218 500 A C 2.244 179.930 177.584 0.170 0.000 1.181 500 A CA 1.889 54.033 52.037 0.180 0.000 0.627 500 A CB -0.712 18.380 19.000 0.154 0.000 0.818 500 A HN 0.551 nan 8.150 nan 0.000 0.445 501 E N 0.672 120.930 120.200 0.097 0.000 2.028 501 E HA -0.171 4.170 4.350 -0.014 0.000 0.191 501 E C 1.853 178.494 176.600 0.069 0.000 0.988 501 E CA 1.672 58.117 56.400 0.076 0.000 0.799 501 E CB -0.550 29.176 29.700 0.044 0.000 0.755 501 E HN 0.738 nan 8.360 nan 0.000 0.447 502 I N -1.627 118.978 120.570 0.059 0.000 2.454 502 I HA -0.156 4.005 4.170 -0.014 0.000 0.254 502 I C 2.148 178.339 176.117 0.123 0.000 1.156 502 I CA 1.189 62.537 61.300 0.079 0.000 1.433 502 I CB -0.342 37.686 38.000 0.047 0.000 1.082 502 I HN 0.037 nan 8.210 nan 0.000 0.432 503 I N 1.888 122.505 120.570 0.078 0.000 2.233 503 I HA -0.174 3.988 4.170 -0.014 0.000 0.243 503 I C 3.010 179.072 176.117 -0.091 0.000 1.093 503 I CA 1.304 62.567 61.300 -0.061 0.000 1.380 503 I CB -0.499 37.337 38.000 -0.273 0.000 1.067 503 I HN 0.297 nan 8.210 nan 0.000 0.413 504 A N 0.407 123.276 122.820 0.081 0.000 1.933 504 A HA -0.235 4.077 4.320 -0.014 0.000 0.218 504 A C 2.159 179.774 177.584 0.051 0.000 1.175 504 A CA 1.652 53.789 52.037 0.166 0.000 0.628 504 A CB -0.624 18.505 19.000 0.215 0.000 0.814 504 A HN 0.445 nan 8.150 nan 0.000 0.444 505 E N -0.724 119.487 120.200 0.019 0.000 2.160 505 E HA -0.204 4.137 4.350 -0.014 0.000 0.195 505 E C 2.202 178.765 176.600 -0.061 0.000 0.991 505 E CA 1.157 57.553 56.400 -0.006 0.000 0.810 505 E CB -0.038 29.666 29.700 0.008 0.000 0.742 505 E HN 0.501 nan 8.360 nan 0.000 0.466 506 R N -0.011 120.390 120.500 -0.165 0.000 2.123 506 R HA 0.097 4.428 4.340 -0.014 0.000 0.209 506 R C 2.287 178.487 176.300 -0.167 0.000 1.078 506 R CA 0.828 56.746 56.100 -0.304 0.000 1.028 506 R CB -0.141 29.624 30.300 -0.891 0.000 0.939 506 R HN 0.301 nan 8.270 nan 0.000 0.463 507 I N -2.818 117.670 120.570 -0.137 0.000 4.081 507 I HA 0.443 4.604 4.170 -0.014 0.000 0.333 507 I C 0.396 176.547 176.117 0.056 0.000 1.413 507 I CA 0.037 61.314 61.300 -0.038 0.000 1.110 507 I CB 0.900 38.855 38.000 -0.076 0.000 1.082 507 I HN 0.179 nan 8.210 nan 0.000 0.402 508 G N 1.989 110.834 108.800 0.075 0.000 2.760 508 G HA2 -0.223 3.728 3.960 -0.014 0.000 0.246 508 G HA3 -0.223 3.728 3.960 -0.014 0.000 0.246 508 G C -0.049 174.978 174.900 0.212 0.000 1.359 508 G CA 0.176 45.343 45.100 0.112 0.000 0.861 508 G HN 0.448 nan 8.290 nan 0.000 0.541 509 E N -0.346 119.927 120.200 0.123 0.000 2.472 509 E HA 0.074 4.415 4.350 -0.014 0.000 0.196 509 E C 1.884 178.431 176.600 -0.089 0.000 1.033 509 E CA -0.020 56.394 56.400 0.024 0.000 0.886 509 E CB 0.210 29.918 29.700 0.013 0.000 0.944 509 E HN 0.490 nan 8.360 nan 0.000 0.492 510 E N 0.396 120.615 120.200 0.032 0.000 2.265 510 E HA -0.184 4.158 4.350 -0.014 0.000 0.196 510 E C 1.673 178.268 176.600 -0.007 0.000 0.996 510 E CA 0.856 57.270 56.400 0.022 0.000 0.832 510 E CB -0.017 29.719 29.700 0.061 0.000 0.756 510 E HN 0.535 nan 8.360 nan 0.000 0.491 511 Y N -1.122 119.182 120.300 0.006 0.000 2.421 511 Y HA -0.003 4.539 4.550 -0.013 0.000 0.292 511 Y C 1.926 177.801 175.900 -0.042 0.000 1.136 511 Y CA 0.451 58.545 58.100 -0.010 0.000 1.255 511 Y CB -0.713 37.743 38.460 -0.007 0.000 0.991 511 Y HN -0.099 nan 8.280 nan 0.000 0.552 512 I N 0.956 121.051 120.570 -0.792 0.000 2.454 512 I HA -0.231 3.930 4.170 -0.014 0.000 0.254 512 I C 1.748 177.595 176.117 -0.449 0.000 1.156 512 I CA 1.797 62.669 61.300 -0.714 0.000 1.433 512 I CB -0.350 37.130 38.000 -0.868 0.000 1.082 512 I HN 0.470 nan 8.210 nan 0.000 0.432 513 S N -2.174 113.379 115.700 -0.244 0.000 2.650 513 S HA 0.164 4.626 4.470 -0.014 0.000 0.240 513 S C 0.207 174.795 174.600 -0.021 0.000 1.007 513 S CA -0.461 57.682 58.200 -0.095 0.000 0.984 513 S CB 0.316 63.543 63.200 0.045 0.000 0.910 513 S HN 0.280 nan 8.310 nan 0.000 0.509 514 D N 0.733 121.128 120.400 -0.009 0.000 2.978 514 D HA 0.261 4.893 4.640 -0.014 0.000 0.268 514 D C 0.374 176.716 176.300 0.070 0.000 1.252 514 D CA -0.389 53.629 54.000 0.030 0.000 0.771 514 D CB 0.422 41.245 40.800 0.038 0.000 1.361 514 D HN 0.091 nan 8.370 nan 0.000 0.558 515 L N 1.104 122.368 121.223 0.069 0.000 2.353 515 L HA -0.014 4.318 4.340 -0.014 0.000 0.220 515 L C 1.383 178.305 176.870 0.087 0.000 1.133 515 L CA 1.518 56.429 54.840 0.119 0.000 0.798 515 L CB -0.084 42.037 42.059 0.103 0.000 0.922 515 L HN 0.244 nan 8.230 nan 0.000 0.445 516 D N -0.708 119.719 120.400 0.045 0.000 2.221 516 D HA -0.217 4.414 4.640 -0.014 0.000 0.204 516 D C 1.977 178.296 176.300 0.032 0.000 0.982 516 D CA 0.842 54.854 54.000 0.019 0.000 0.857 516 D CB 0.027 40.826 40.800 -0.002 0.000 0.934 516 D HN 0.536 nan 8.370 nan 0.000 0.475 517 Q N -0.060 119.776 119.800 0.061 0.000 2.368 517 Q HA -0.078 4.253 4.340 -0.014 0.000 0.210 517 Q C 2.279 178.295 176.000 0.026 0.000 0.982 517 Q CA 0.302 56.142 55.803 0.061 0.000 0.884 517 Q CB -0.026 28.779 28.738 0.112 0.000 0.933 517 Q HN 0.400 nan 8.270 nan 0.000 0.460 518 L N 0.163 121.394 121.223 0.014 0.000 2.261 518 L HA -0.208 4.123 4.340 -0.014 0.000 0.216 518 L C 2.300 179.161 176.870 -0.016 0.000 1.114 518 L CA 0.940 55.752 54.840 -0.046 0.000 0.777 518 L CB -0.397 41.647 42.059 -0.025 0.000 0.910 518 L HN 0.227 nan 8.230 nan 0.000 0.440 519 R N 0.353 120.856 120.500 0.005 0.000 2.139 519 R HA -0.194 4.137 4.340 -0.014 0.000 0.243 519 R C 2.113 178.420 176.300 0.011 0.000 1.145 519 R CA 1.154 57.259 56.100 0.009 0.000 0.976 519 R CB -0.241 30.061 30.300 0.003 0.000 0.866 519 R HN 0.405 nan 8.270 nan 0.000 0.449 520 K N 0.585 120.992 120.400 0.011 0.000 2.281 520 K HA -0.114 4.197 4.320 -0.014 0.000 0.203 520 K C 1.860 178.512 176.600 0.087 0.000 1.046 520 K CA 0.896 57.203 56.287 0.034 0.000 0.938 520 K CB -0.091 32.433 32.500 0.040 0.000 0.737 520 K HN 0.222 nan 8.250 nan 0.000 0.458 521 L N 0.475 121.720 121.223 0.037 0.000 2.376 521 L HA -0.134 4.198 4.340 -0.014 0.000 0.219 521 L C 1.843 178.780 176.870 0.112 0.000 1.133 521 L CA 0.023 54.892 54.840 0.047 0.000 0.816 521 L CB -0.240 41.796 42.059 -0.038 0.000 0.933 521 L HN 0.124 nan 8.230 nan 0.000 0.449 522 L N 0.130 121.390 121.223 0.061 0.000 2.127 522 L HA -0.188 4.143 4.340 -0.014 0.000 0.211 522 L C 2.738 179.604 176.870 -0.007 0.000 1.089 522 L CA 1.976 56.838 54.840 0.036 0.000 0.757 522 L CB -0.956 41.111 42.059 0.012 0.000 0.899 522 L HN 0.367 nan 8.230 nan 0.000 0.434 523 S N -2.622 113.033 115.700 -0.075 0.000 2.603 523 S HA -0.102 4.359 4.470 -0.014 0.000 0.229 523 S C 1.268 175.614 174.600 -0.423 0.000 0.972 523 S CA 0.354 58.404 58.200 -0.250 0.000 0.935 523 S CB -0.570 62.426 63.200 -0.339 0.000 0.769 523 S HN 0.481 nan 8.310 nan 0.000 0.536 524 Y N -0.333 119.898 120.300 -0.115 0.000 2.531 524 Y HA 0.444 4.991 4.550 -0.004 0.000 0.249 524 Y C 1.908 177.847 175.900 0.065 0.000 1.168 524 Y CA -0.525 57.506 58.100 -0.116 0.000 1.226 524 Y CB 0.211 38.389 38.460 -0.471 0.000 1.177 524 Y HN 0.242 nan 8.280 nan 0.000 0.527 525 V N 0.381 120.387 119.914 0.154 0.000 2.759 525 V HA -0.187 3.924 4.120 -0.014 0.000 0.256 525 V C 0.853 177.017 176.094 0.117 0.000 1.080 525 V CA 2.075 64.467 62.300 0.153 0.000 1.101 525 V CB -0.005 31.870 31.823 0.087 0.000 0.698 525 V HN 0.339 nan 8.190 nan 0.000 0.477 526 D N -0.409 120.038 120.400 0.079 0.000 2.424 526 D HA 0.130 4.761 4.640 -0.014 0.000 0.220 526 D C 0.215 176.560 176.300 0.075 0.000 1.150 526 D CA 0.007 54.043 54.000 0.059 0.000 0.831 526 D CB 0.153 40.965 40.800 0.021 0.000 0.981 526 D HN 0.441 nan 8.370 nan 0.000 0.500 527 D N 1.519 122.000 120.400 0.134 0.000 2.365 527 D HA -0.010 4.621 4.640 -0.014 0.000 0.237 527 D C 1.179 177.584 176.300 0.176 0.000 1.190 527 D CA -0.112 53.987 54.000 0.165 0.000 0.867 527 D CB 1.658 42.620 40.800 0.270 0.000 1.050 527 D HN -0.173 nan 8.370 nan 0.000 0.491 528 E N 3.551 123.819 120.200 0.112 0.000 2.118 528 E HA -0.180 4.162 4.350 -0.014 0.000 0.195 528 E C 1.689 178.343 176.600 0.090 0.000 0.992 528 E CA 1.608 58.058 56.400 0.084 0.000 0.804 528 E CB -0.012 29.720 29.700 0.054 0.000 0.741 528 E HN 0.572 nan 8.360 nan 0.000 0.458 529 A N -0.262 122.628 122.820 0.116 0.000 1.873 529 A HA -0.132 4.180 4.320 -0.014 0.000 0.215 529 A C 2.263 179.932 177.584 0.143 0.000 1.186 529 A CA 1.387 53.490 52.037 0.111 0.000 0.616 529 A CB -1.013 18.057 19.000 0.115 0.000 0.823 529 A HN 0.464 nan 8.150 nan 0.000 0.442 530 F N 0.345 120.318 119.950 0.037 0.000 2.146 530 F HA -0.130 4.389 4.527 -0.013 0.000 0.298 530 F C 2.022 177.832 175.800 0.017 0.000 1.096 530 F CA 1.532 59.540 58.000 0.014 0.000 1.275 530 F CB -0.109 38.912 39.000 0.034 0.000 1.008 530 F HN 0.166 nan 8.300 nan 0.000 0.480 531 I N 0.253 120.846 120.570 0.038 0.000 2.151 531 I HA -0.367 3.794 4.170 -0.014 0.000 0.243 531 I C 2.624 178.684 176.117 -0.095 0.000 1.080 531 I CA 1.771 63.042 61.300 -0.049 0.000 1.339 531 I CB -0.521 37.499 38.000 0.034 0.000 1.039 531 I HN 0.096 nan 8.210 nan 0.000 0.409 532 R N 0.773 121.245 120.500 -0.046 0.000 2.096 532 R HA -0.199 4.132 4.340 -0.014 0.000 0.235 532 R C 1.872 178.122 176.300 -0.085 0.000 1.127 532 R CA 1.933 58.004 56.100 -0.048 0.000 0.968 532 R CB -0.137 30.154 30.300 -0.014 0.000 0.861 532 R HN 0.298 nan 8.270 nan 0.000 0.440 533 D N -0.275 120.054 120.400 -0.118 0.000 2.097 533 D HA -0.122 4.510 4.640 -0.014 0.000 0.197 533 D C 1.959 178.126 176.300 -0.220 0.000 0.984 533 D CA 1.294 55.208 54.000 -0.144 0.000 0.826 533 D CB -0.248 40.481 40.800 -0.118 0.000 0.973 533 D HN 0.058 nan 8.370 nan 0.000 0.460 534 V N 1.472 121.151 119.914 -0.392 0.000 2.287 534 V HA -0.280 3.831 4.120 -0.014 0.000 0.248 534 V C 2.511 178.509 176.094 -0.160 0.000 1.053 534 V CA 2.042 64.132 62.300 -0.350 0.000 1.027 534 V CB -0.874 30.659 31.823 -0.484 0.000 0.646 534 V HN 0.205 nan 8.190 nan 0.000 0.447 535 A N -0.620 122.127 122.820 -0.122 0.000 1.933 535 A HA -0.255 4.057 4.320 -0.014 0.000 0.218 535 A C 2.356 179.902 177.584 -0.063 0.000 1.175 535 A CA 2.112 54.112 52.037 -0.062 0.000 0.628 535 A CB -0.471 18.497 19.000 -0.052 0.000 0.814 535 A HN 0.546 nan 8.150 nan 0.000 0.444 536 K N -0.230 120.127 120.400 -0.071 0.000 2.025 536 K HA -0.079 4.232 4.320 -0.014 0.000 0.207 536 K C 1.827 178.399 176.600 -0.048 0.000 1.049 536 K CA 1.539 57.794 56.287 -0.055 0.000 0.933 536 K CB -0.268 32.203 32.500 -0.048 0.000 0.714 536 K HN 0.219 nan 8.250 nan 0.000 0.438 537 V N 1.823 121.703 119.914 -0.057 0.000 2.332 537 V HA -0.256 3.856 4.120 -0.014 0.000 0.248 537 V C 2.398 178.476 176.094 -0.028 0.000 1.055 537 V CA 2.018 64.294 62.300 -0.040 0.000 1.038 537 V CB -0.480 31.313 31.823 -0.050 0.000 0.651 537 V HN 0.356 nan 8.190 nan 0.000 0.450 538 K N 0.369 120.751 120.400 -0.030 0.000 2.026 538 K HA -0.229 4.082 4.320 -0.014 0.000 0.208 538 K C 2.181 178.752 176.600 -0.048 0.000 1.048 538 K CA 1.810 58.086 56.287 -0.018 0.000 0.929 538 K CB -0.561 31.946 32.500 0.011 0.000 0.713 538 K HN 0.362 nan 8.250 nan 0.000 0.439 539 Q N 0.953 120.718 119.800 -0.059 0.000 2.096 539 Q HA -0.125 4.206 4.340 -0.014 0.000 0.204 539 Q C 1.738 177.710 176.000 -0.045 0.000 0.982 539 Q CA 2.034 57.792 55.803 -0.075 0.000 0.850 539 Q CB -0.093 28.606 28.738 -0.065 0.000 0.901 539 Q HN 0.503 nan 8.270 nan 0.000 0.422 540 E N -0.548 119.639 120.200 -0.022 0.000 2.077 540 E HA -0.174 4.167 4.350 -0.014 0.000 0.193 540 E C 1.735 178.352 176.600 0.027 0.000 0.989 540 E CA 1.029 57.431 56.400 0.002 0.000 0.800 540 E CB -0.088 29.613 29.700 0.001 0.000 0.746 540 E HN 0.396 nan 8.360 nan 0.000 0.452 541 N N 0.963 119.676 118.700 0.022 0.000 2.120 541 N HA -0.131 4.601 4.740 -0.014 0.000 0.188 541 N C 1.523 177.101 175.510 0.114 0.000 1.024 541 N CA 1.075 54.159 53.050 0.056 0.000 0.852 541 N CB -0.091 38.415 38.487 0.032 0.000 1.003 541 N HN 0.132 nan 8.380 nan 0.000 0.424 542 K N 0.537 120.956 120.400 0.031 0.000 2.057 542 K HA 0.029 4.341 4.320 -0.014 0.000 0.206 542 K C 2.119 178.818 176.600 0.165 0.000 1.050 542 K CA 0.609 56.904 56.287 0.014 0.000 0.935 542 K CB -0.149 32.053 32.500 -0.496 0.000 0.715 542 K HN 0.094 nan 8.250 nan 0.000 0.439 543 L N 1.261 122.531 121.223 0.079 0.000 2.017 543 L HA -0.207 4.124 4.340 -0.014 0.000 0.208 543 L C 2.630 179.583 176.870 0.138 0.000 1.073 543 L CA 1.358 56.256 54.840 0.097 0.000 0.745 543 L CB -0.343 41.745 42.059 0.047 0.000 0.894 543 L HN 0.165 nan 8.230 nan 0.000 0.432 544 K N -0.347 120.139 120.400 0.144 0.000 2.063 544 K HA -0.250 4.061 4.320 -0.014 0.000 0.208 544 K C 2.173 178.920 176.600 0.245 0.000 1.048 544 K CA 1.758 58.141 56.287 0.161 0.000 0.928 544 K CB -0.162 32.419 32.500 0.136 0.000 0.713 544 K HN 0.104 nan 8.250 nan 0.000 0.442 545 F N 0.927 120.975 119.950 0.163 0.000 2.206 545 F HA 0.014 4.533 4.527 -0.014 0.000 0.298 545 F C 1.964 177.917 175.800 0.254 0.000 1.090 545 F CA 1.012 59.140 58.000 0.214 0.000 1.323 545 F CB -0.292 38.843 39.000 0.224 0.000 1.028 545 F HN 0.057 nan 8.300 nan 0.000 0.492 546 A N 0.206 123.183 122.820 0.263 0.000 1.972 546 A HA -0.056 4.255 4.320 -0.014 0.000 0.219 546 A C 2.381 179.970 177.584 0.008 0.000 1.169 546 A CA 1.677 53.793 52.037 0.131 0.000 0.635 546 A CB -1.401 17.736 19.000 0.229 0.000 0.810 546 A HN 0.435 nan 8.150 nan 0.000 0.446 547 A N -1.613 121.235 122.820 0.047 0.000 1.897 547 A HA -0.037 4.275 4.320 -0.014 0.000 0.215 547 A C 2.105 179.686 177.584 -0.006 0.000 1.181 547 A CA 1.433 53.478 52.037 0.014 0.000 0.620 547 A CB -0.775 18.254 19.000 0.048 0.000 0.821 547 A HN 0.722 nan 8.150 nan 0.000 0.443 548 Y N 0.615 120.850 120.300 -0.108 0.000 2.165 548 Y HA -0.187 4.354 4.550 -0.014 0.000 0.286 548 Y C 1.925 177.731 175.900 -0.156 0.000 1.155 548 Y CA 1.860 59.885 58.100 -0.125 0.000 1.164 548 Y CB -0.217 38.170 38.460 -0.122 0.000 0.978 548 Y HN 0.216 nan 8.280 nan 0.000 0.513 549 L N 0.016 121.102 121.223 -0.228 0.000 2.046 549 L HA -0.215 4.116 4.340 -0.014 0.000 0.208 549 L C 2.439 179.216 176.870 -0.155 0.000 1.077 549 L CA 1.778 56.489 54.840 -0.214 0.000 0.747 549 L CB -0.556 41.348 42.059 -0.259 0.000 0.896 549 L HN 0.320 nan 8.230 nan 0.000 0.432 550 E N -0.192 119.903 120.200 -0.174 0.000 2.072 550 E HA -0.196 4.145 4.350 -0.014 0.000 0.191 550 E C 2.354 178.854 176.600 -0.167 0.000 0.985 550 E CA 0.940 57.228 56.400 -0.187 0.000 0.801 550 E CB 0.000 29.556 29.700 -0.241 0.000 0.750 550 E HN 0.440 nan 8.360 nan 0.000 0.452 551 R N 0.594 120.981 120.500 -0.188 0.000 2.066 551 R HA -0.112 4.219 4.340 -0.014 0.000 0.232 551 R C 1.897 178.033 176.300 -0.273 0.000 1.131 551 R CA 1.179 57.166 56.100 -0.189 0.000 0.955 551 R CB -0.000 30.208 30.300 -0.153 0.000 0.851 551 R HN 0.000 nan 8.270 nan 0.000 0.432 552 E N -1.603 118.323 120.200 -0.458 0.000 2.452 552 E HA 0.012 4.353 4.350 -0.014 0.000 0.197 552 E C 0.133 176.239 176.600 -0.823 0.000 1.022 552 E CA 0.636 56.630 56.400 -0.676 0.000 0.890 552 E CB 0.539 29.633 29.700 -1.010 0.000 0.918 552 E HN 0.338 nan 8.360 nan 0.000 0.496 553 Y N -0.819 119.342 120.300 -0.231 0.000 2.666 553 Y HA 0.266 4.807 4.550 -0.015 0.000 0.260 553 Y C 0.088 175.944 175.900 -0.073 0.000 1.089 553 Y CA -0.565 57.461 58.100 -0.124 0.000 1.246 553 Y CB 0.931 39.324 38.460 -0.111 0.000 1.353 553 Y HN -0.301 nan 8.280 nan 0.000 0.558 554 K N 0.850 121.259 120.400 0.015 0.000 3.071 554 K HA -0.125 4.186 4.320 -0.014 0.000 0.265 554 K C -0.500 176.162 176.600 0.102 0.000 1.060 554 K CA 0.876 57.182 56.287 0.031 0.000 0.767 554 K CB -2.046 30.485 32.500 0.052 0.000 1.241 554 K HN 0.263 nan 8.250 nan 0.000 0.486 555 V N -1.925 118.024 119.914 0.058 0.000 2.547 555 V HA 0.493 4.605 4.120 -0.014 0.000 0.299 555 V C 0.487 176.603 176.094 0.037 0.000 1.040 555 V CA -0.766 61.593 62.300 0.097 0.000 0.913 555 V CB 2.091 33.938 31.823 0.041 0.000 0.992 555 V HN 0.230 nan 8.190 nan 0.000 0.449 556 H N 5.147 124.207 119.070 -0.016 0.000 2.519 556 H HA 0.666 5.213 4.556 -0.014 0.000 0.316 556 H C -0.404 174.915 175.328 -0.014 0.000 1.065 556 H CA -0.229 55.814 56.048 -0.009 0.000 1.264 556 H CB 1.975 31.736 29.762 -0.001 0.000 1.413 556 H HN 0.855 nan 8.280 nan 0.000 0.465 557 I N 0.222 120.836 120.570 0.074 0.000 2.828 557 I HA 0.353 4.514 4.170 -0.014 0.000 0.302 557 I C -0.329 175.861 176.117 0.122 0.000 1.101 557 I CA -1.292 60.049 61.300 0.070 0.000 1.031 557 I CB 2.166 40.172 38.000 0.010 0.000 1.231 557 I HN 0.267 nan 8.210 nan 0.000 0.427 558 N N 5.103 123.884 118.700 0.135 0.000 2.401 558 N HA 0.380 5.111 4.740 -0.014 0.000 0.255 558 N C -1.998 173.659 175.510 0.245 0.000 1.110 558 N CA -2.289 50.850 53.050 0.149 0.000 0.949 558 N CB 1.031 39.581 38.487 0.105 0.000 1.110 558 N HN 0.395 nan 8.380 nan 0.000 0.490 559 P HA 0.074 nan 4.420 nan 0.000 0.237 559 P C -0.057 177.229 177.300 -0.024 0.000 1.178 559 P CA 0.855 64.032 63.100 0.128 0.000 0.766 559 P CB 0.237 31.985 31.700 0.079 0.000 0.876 560 N N -0.883 117.842 118.700 0.041 0.000 2.422 560 N HA -0.016 4.715 4.740 -0.014 0.000 0.181 560 N C 0.473 176.026 175.510 0.072 0.000 1.080 560 N CA -0.002 53.066 53.050 0.029 0.000 0.893 560 N CB -0.049 38.464 38.487 0.043 0.000 0.973 560 N HN 0.146 nan 8.380 nan 0.000 0.456 561 S N 0.258 116.016 115.700 0.097 0.000 2.603 561 S HA 0.151 4.612 4.470 -0.014 0.000 0.268 561 S C 0.087 174.678 174.600 -0.015 0.000 1.317 561 S CA -0.888 57.356 58.200 0.074 0.000 1.012 561 S CB 1.002 64.271 63.200 0.115 0.000 0.926 561 S HN 0.192 nan 8.310 nan 0.000 0.539 562 L N 2.308 123.341 121.223 -0.318 0.000 2.477 562 L HA 0.322 4.653 4.340 -0.014 0.000 0.272 562 L C -0.771 176.072 176.870 -0.045 0.000 1.157 562 L CA -0.376 54.075 54.840 -0.648 0.000 0.889 562 L CB -0.278 41.145 42.059 -1.061 0.000 1.158 562 L HN 0.703 nan 8.230 nan 0.000 0.473 563 F N 4.323 124.133 119.950 -0.234 0.000 2.405 563 F HA 0.094 4.613 4.527 -0.013 0.000 0.358 563 F C 0.439 176.167 175.800 -0.119 0.000 1.151 563 F CA -0.775 57.160 58.000 -0.107 0.000 1.161 563 F CB 0.484 39.471 39.000 -0.022 0.000 1.245 563 F HN 0.518 nan 8.300 nan 0.000 0.545 564 D N 4.959 125.346 120.400 -0.020 0.000 2.412 564 D HA 0.229 4.861 4.640 -0.014 0.000 0.224 564 D C -1.117 175.113 176.300 -0.117 0.000 1.093 564 D CA -0.113 53.833 54.000 -0.090 0.000 0.850 564 D CB 1.430 42.162 40.800 -0.113 0.000 1.046 564 D HN 0.260 nan 8.370 nan 0.000 0.507 565 V N 3.459 123.285 119.914 -0.148 0.000 2.540 565 V HA 0.539 4.651 4.120 -0.014 0.000 0.302 565 V C -1.383 174.548 176.094 -0.273 0.000 1.035 565 V CA -0.629 61.568 62.300 -0.173 0.000 0.873 565 V CB 1.815 33.595 31.823 -0.071 0.000 0.992 565 V HN 0.548 nan 8.190 nan 0.000 0.428 566 Q N 4.925 124.585 119.800 -0.234 0.000 2.464 566 Q HA 0.630 4.961 4.340 -0.014 0.000 0.256 566 Q C -1.410 174.417 176.000 -0.287 0.000 1.020 566 Q CA -0.618 55.035 55.803 -0.250 0.000 0.716 566 Q CB 1.778 30.399 28.738 -0.194 0.000 1.230 566 Q HN 1.039 nan 8.270 nan 0.000 0.494 567 V N 1.822 121.551 119.914 -0.309 0.000 2.409 567 V HA 0.857 4.969 4.120 -0.014 0.000 0.291 567 V C -0.838 174.971 176.094 -0.476 0.000 1.020 567 V CA -0.535 61.384 62.300 -0.635 0.000 0.848 567 V CB 1.192 32.389 31.823 -1.044 0.000 0.990 567 V HN 0.792 nan 8.190 nan 0.000 0.430 568 K N 2.564 122.740 120.400 -0.374 0.000 3.040 568 K HA 0.388 4.700 4.320 -0.014 0.000 0.300 568 K C -1.268 175.361 176.600 0.049 0.000 1.092 568 K CA -1.142 55.130 56.287 -0.025 0.000 0.831 568 K CB 0.873 33.348 32.500 -0.042 0.000 1.469 568 K HN 0.462 nan 8.250 nan 0.000 0.365 569 R N 0.933 121.531 120.500 0.163 0.000 2.698 569 R HA 0.142 4.473 4.340 -0.014 0.000 0.266 569 R C 0.380 176.726 176.300 0.076 0.000 1.026 569 R CA -0.264 55.939 56.100 0.172 0.000 1.102 569 R CB -0.165 30.315 30.300 0.299 0.000 0.978 569 R HN 0.468 nan 8.270 nan 0.000 0.436 570 I N 4.475 125.019 120.570 -0.043 0.000 2.421 570 I HA 0.093 4.255 4.170 -0.014 0.000 0.291 570 I C 0.298 176.194 176.117 -0.368 0.000 1.089 570 I CA 0.291 61.501 61.300 -0.150 0.000 1.354 570 I CB -0.523 37.399 38.000 -0.129 0.000 1.413 570 I HN 0.419 nan 8.210 nan 0.000 0.513 571 H N 3.033 122.014 119.070 -0.149 0.000 2.930 571 H HA 0.257 4.804 4.556 -0.015 0.000 0.371 571 H C 0.613 175.828 175.328 -0.189 0.000 1.169 571 H CA -0.575 55.432 56.048 -0.067 0.000 1.157 571 H CB 1.828 31.507 29.762 -0.138 0.000 1.789 571 H HN 0.461 nan 8.280 nan 0.000 0.547 572 E N 0.941 121.201 120.200 0.101 0.000 2.118 572 E HA -0.252 4.089 4.350 -0.014 0.000 0.195 572 E C 1.249 177.585 176.600 -0.441 0.000 0.992 572 E CA 1.584 57.968 56.400 -0.028 0.000 0.804 572 E CB -0.022 29.860 29.700 0.302 0.000 0.741 572 E HN 0.675 nan 8.360 nan 0.000 0.458 573 Y N 0.869 120.628 120.300 -0.902 0.000 2.293 573 Y HA -0.050 4.491 4.550 -0.015 0.000 0.291 573 Y C 1.551 177.182 175.900 -0.448 0.000 1.137 573 Y CA 0.919 58.310 58.100 -1.182 0.000 1.202 573 Y CB -0.141 37.696 38.460 -1.038 0.000 0.990 573 Y HN -0.210 nan 8.280 nan 0.000 0.537 574 K N 0.708 120.597 120.400 -0.852 0.000 2.432 574 K HA 0.051 4.362 4.320 -0.014 0.000 0.196 574 K C 0.151 176.567 176.600 -0.307 0.000 1.038 574 K CA 0.529 56.455 56.287 -0.602 0.000 0.986 574 K CB -0.061 32.088 32.500 -0.585 0.000 0.782 574 K HN 0.270 nan 8.250 nan 0.000 0.485 575 R N 0.384 120.732 120.500 -0.253 0.000 3.336 575 R HA -0.239 4.093 4.340 -0.014 0.000 0.260 575 R C 0.296 176.509 176.300 -0.145 0.000 1.032 575 R CA 0.252 56.258 56.100 -0.157 0.000 0.693 575 R CB -1.888 28.338 30.300 -0.123 0.000 1.134 575 R HN 0.314 nan 8.270 nan 0.000 0.433 576 Q N 0.299 120.013 119.800 -0.144 0.000 2.248 576 Q HA -0.086 4.246 4.340 -0.014 0.000 0.208 576 Q C 2.031 177.977 176.000 -0.090 0.000 0.984 576 Q CA 1.501 57.236 55.803 -0.114 0.000 0.875 576 Q CB -0.005 28.670 28.738 -0.104 0.000 0.910 576 Q HN 0.584 nan 8.270 nan 0.000 0.433 577 L N -0.664 120.508 121.223 -0.085 0.000 2.093 577 L HA -0.171 4.161 4.340 -0.014 0.000 0.208 577 L C 2.009 178.872 176.870 -0.010 0.000 1.085 577 L CA 0.500 55.304 54.840 -0.060 0.000 0.755 577 L CB -0.320 41.713 42.059 -0.044 0.000 0.904 577 L HN 0.308 nan 8.230 nan 0.000 0.435 578 L N -0.003 121.205 121.223 -0.024 0.000 2.056 578 L HA -0.227 4.104 4.340 -0.014 0.000 0.207 578 L C 2.022 178.938 176.870 0.076 0.000 1.078 578 L CA 1.873 56.712 54.840 -0.003 0.000 0.749 578 L CB -0.816 41.134 42.059 -0.180 0.000 0.901 578 L HN 0.278 nan 8.230 nan 0.000 0.433 579 N N -1.618 117.091 118.700 0.015 0.000 2.069 579 N HA -0.243 4.488 4.740 -0.014 0.000 0.191 579 N C 1.952 177.540 175.510 0.130 0.000 1.031 579 N CA 1.670 54.812 53.050 0.154 0.000 0.852 579 N CB -0.151 38.355 38.487 0.033 0.000 1.018 579 N HN 0.495 nan 8.380 nan 0.000 0.423 580 C N 0.582 119.893 119.300 0.017 0.000 2.413 580 C HA -0.094 4.357 4.460 -0.014 0.000 0.276 580 C C 2.598 177.573 174.990 -0.025 0.000 1.248 580 C CA 0.427 59.408 59.018 -0.063 0.000 1.742 580 C CB -1.267 26.382 27.740 -0.152 0.000 2.017 580 C HN 0.507 nan 8.230 nan 0.000 0.481 581 L N -0.455 120.816 121.223 0.080 0.000 2.046 581 L HA -0.192 4.140 4.340 -0.014 0.000 0.208 581 L C 2.770 179.793 176.870 0.255 0.000 1.077 581 L CA 1.808 56.745 54.840 0.162 0.000 0.747 581 L CB -1.059 41.163 42.059 0.273 0.000 0.896 581 L HN 0.586 nan 8.230 nan 0.000 0.432 582 H N -0.011 119.172 119.070 0.187 0.000 2.321 582 H HA -0.145 4.402 4.556 -0.014 0.000 0.300 582 H C 2.251 177.568 175.328 -0.017 0.000 1.087 582 H CA 1.973 58.042 56.048 0.034 0.000 1.319 582 H CB 0.277 29.978 29.762 -0.103 0.000 1.379 582 H HN 0.083 nan 8.280 nan 0.000 0.501 583 V N 1.652 121.484 119.914 -0.137 0.000 2.252 583 V HA -0.300 3.811 4.120 -0.014 0.000 0.249 583 V C 2.870 178.892 176.094 -0.119 0.000 1.056 583 V CA 2.088 64.271 62.300 -0.194 0.000 1.022 583 V CB -0.566 31.191 31.823 -0.111 0.000 0.641 583 V HN 0.394 nan 8.190 nan 0.000 0.445 584 I N -0.267 120.270 120.570 -0.056 0.000 2.286 584 I HA -0.233 3.929 4.170 -0.014 0.000 0.248 584 I C 2.512 178.684 176.117 0.092 0.000 1.115 584 I CA 1.791 63.129 61.300 0.063 0.000 1.392 584 I CB -0.757 37.246 38.000 0.005 0.000 1.065 584 I HN 0.337 nan 8.210 nan 0.000 0.418 585 T N 1.282 115.848 114.554 0.019 0.000 2.684 585 T HA -0.176 4.165 4.350 -0.014 0.000 0.267 585 T C 1.882 176.533 174.700 -0.081 0.000 1.036 585 T CA 1.321 63.423 62.100 0.004 0.000 1.148 585 T CB -0.313 68.585 68.868 0.050 0.000 0.863 585 T HN 0.082 nan 8.240 nan 0.000 0.436 586 L N 0.040 121.140 121.223 -0.205 0.000 2.042 586 L HA -0.037 4.295 4.340 -0.014 0.000 0.210 586 L C 2.110 178.935 176.870 -0.075 0.000 1.076 586 L CA 1.580 56.296 54.840 -0.205 0.000 0.749 586 L CB -1.054 40.805 42.059 -0.333 0.000 0.893 586 L HN 0.370 nan 8.230 nan 0.000 0.432 587 Y N 0.216 120.450 120.300 -0.111 0.000 2.145 587 Y HA -0.287 4.254 4.550 -0.015 0.000 0.286 587 Y C 2.449 178.330 175.900 -0.031 0.000 1.145 587 Y CA 1.847 59.924 58.100 -0.039 0.000 1.148 587 Y CB -0.090 38.396 38.460 0.043 0.000 0.981 587 Y HN 0.276 nan 8.280 nan 0.000 0.507 588 N N 0.452 119.098 118.700 -0.091 0.000 2.166 588 N HA -0.141 4.590 4.740 -0.014 0.000 0.186 588 N C 1.831 177.226 175.510 -0.191 0.000 1.019 588 N CA 1.509 54.446 53.050 -0.188 0.000 0.856 588 N CB -0.370 38.072 38.487 -0.074 0.000 0.993 588 N HN 0.442 nan 8.380 nan 0.000 0.426 589 R N 0.432 120.848 120.500 -0.140 0.000 2.075 589 R HA 0.068 4.399 4.340 -0.014 0.000 0.232 589 R C 2.243 178.457 176.300 -0.144 0.000 1.126 589 R CA 0.757 56.783 56.100 -0.123 0.000 0.963 589 R CB -0.263 29.975 30.300 -0.103 0.000 0.858 589 R HN 0.236 nan 8.270 nan 0.000 0.435 590 I N 0.960 121.424 120.570 -0.176 0.000 2.179 590 I HA -0.280 3.881 4.170 -0.014 0.000 0.242 590 I C 2.127 178.124 176.117 -0.200 0.000 1.088 590 I CA 1.216 62.411 61.300 -0.174 0.000 1.357 590 I CB -0.187 37.714 38.000 -0.166 0.000 1.051 590 I HN 0.024 nan 8.210 nan 0.000 0.409 591 K N 0.843 121.058 120.400 -0.308 0.000 2.147 591 K HA -0.193 4.118 4.320 -0.014 0.000 0.205 591 K C 2.009 178.509 176.600 -0.167 0.000 1.049 591 K CA 1.202 57.321 56.287 -0.279 0.000 0.936 591 K CB -0.327 31.927 32.500 -0.410 0.000 0.722 591 K HN 0.338 nan 8.250 nan 0.000 0.446 592 K N 1.082 121.392 120.400 -0.150 0.000 2.076 592 K HA -0.065 4.246 4.320 -0.014 0.000 0.204 592 K C 0.002 176.555 176.600 -0.078 0.000 1.051 592 K CA 0.967 57.193 56.287 -0.102 0.000 0.949 592 K CB 0.355 32.799 32.500 -0.093 0.000 0.726 592 K HN 0.066 nan 8.250 nan 0.000 0.443 593 E N 0.473 120.625 120.200 -0.080 0.000 3.303 593 E HA 0.125 4.466 4.350 -0.014 0.000 0.215 593 E C -2.305 174.260 176.600 -0.058 0.000 1.181 593 E CA -1.663 54.702 56.400 -0.057 0.000 0.998 593 E CB 1.683 31.355 29.700 -0.046 0.000 1.312 593 E HN 0.151 nan 8.360 nan 0.000 0.412 594 P HA -0.119 nan 4.420 nan 0.000 0.218 594 P C 0.217 177.500 177.300 -0.029 0.000 1.149 594 P CA 1.151 64.219 63.100 -0.053 0.000 0.817 594 P CB 0.206 31.879 31.700 -0.046 0.000 0.785 595 N N -1.153 117.538 118.700 -0.014 0.000 2.268 595 N HA 0.017 4.748 4.740 -0.014 0.000 0.204 595 N C 0.544 176.070 175.510 0.027 0.000 1.124 595 N CA -0.126 52.928 53.050 0.008 0.000 0.838 595 N CB 0.115 38.606 38.487 0.006 0.000 0.994 595 N HN 0.011 nan 8.380 nan 0.000 0.489 596 K N 1.275 121.685 120.400 0.017 0.000 2.143 596 K HA 0.139 4.451 4.320 -0.014 0.000 0.272 596 K C -0.943 175.698 176.600 0.068 0.000 1.001 596 K CA -0.574 55.738 56.287 0.042 0.000 0.915 596 K CB 0.676 33.181 32.500 0.009 0.000 1.047 596 K HN -0.062 nan 8.250 nan 0.000 0.458 597 F N 4.814 124.751 119.950 -0.021 0.000 2.495 597 F HA 0.177 4.695 4.527 -0.015 0.000 0.365 597 F C -0.381 175.405 175.800 -0.023 0.000 1.090 597 F CA -0.139 57.849 58.000 -0.019 0.000 1.235 597 F CB 0.567 39.559 39.000 -0.014 0.000 1.119 597 F HN 0.183 nan 8.300 nan 0.000 0.562 598 V N 4.401 123.797 119.914 -0.863 0.000 2.735 598 V HA 0.534 4.646 4.120 -0.014 0.000 0.310 598 V C -0.617 174.823 176.094 -1.091 0.000 1.061 598 V CA -1.236 60.620 62.300 -0.740 0.000 0.913 598 V CB 1.025 32.628 31.823 -0.366 0.000 1.005 598 V HN 0.565 nan 8.190 nan 0.000 0.428 599 V N 5.043 124.572 119.914 -0.643 0.000 2.458 599 V HA 0.154 4.265 4.120 -0.014 0.000 0.287 599 V C -1.826 174.090 176.094 -0.297 0.000 1.009 599 V CA -0.331 61.754 62.300 -0.359 0.000 1.091 599 V CB 0.183 31.937 31.823 -0.116 0.000 0.960 599 V HN 0.888 nan 8.190 nan 0.000 0.476 600 P HA 0.287 nan 4.420 nan 0.000 0.268 600 P C -0.334 176.880 177.300 -0.144 0.000 1.205 600 P CA 0.031 63.042 63.100 -0.148 0.000 0.771 600 P CB 0.521 32.188 31.700 -0.056 0.000 0.858 601 R N 1.168 121.593 120.500 -0.124 0.000 2.686 601 R HA 0.539 4.870 4.340 -0.014 0.000 0.283 601 R C -0.749 175.508 176.300 -0.073 0.000 0.978 601 R CA -0.622 55.404 56.100 -0.122 0.000 0.897 601 R CB 1.951 32.163 30.300 -0.147 0.000 1.192 601 R HN 0.300 nan 8.270 nan 0.000 0.457 602 T N 2.169 116.690 114.554 -0.054 0.000 2.821 602 T HA 0.223 4.564 4.350 -0.014 0.000 0.307 602 T C -0.252 174.354 174.700 -0.156 0.000 1.034 602 T CA -0.461 61.565 62.100 -0.123 0.000 0.953 602 T CB 1.067 69.789 68.868 -0.242 0.000 0.968 602 T HN 0.139 nan 8.240 nan 0.000 0.462 603 V N 5.906 125.741 119.914 -0.132 0.000 2.368 603 V HA 0.372 4.483 4.120 -0.014 0.000 0.266 603 V C 0.130 176.143 176.094 -0.136 0.000 1.045 603 V CA -0.311 61.917 62.300 -0.120 0.000 0.899 603 V CB 0.513 32.282 31.823 -0.089 0.000 1.006 603 V HN 0.856 nan 8.190 nan 0.000 0.470 604 M N 6.630 126.137 119.600 -0.155 0.000 2.167 604 M HA 0.597 5.068 4.480 -0.014 0.000 0.333 604 M C -0.950 175.237 176.300 -0.189 0.000 1.030 604 M CA -0.123 55.077 55.300 -0.167 0.000 0.963 604 M CB 1.766 34.264 32.600 -0.170 0.000 1.589 604 M HN 0.439 nan 8.290 nan 0.000 0.431 605 I N 2.135 122.574 120.570 -0.217 0.000 2.498 605 I HA 0.806 4.968 4.170 -0.014 0.000 0.290 605 I C 0.110 175.877 176.117 -0.584 0.000 1.032 605 I CA -0.624 60.514 61.300 -0.270 0.000 1.073 605 I CB 2.215 40.149 38.000 -0.109 0.000 1.251 605 I HN 0.772 nan 8.210 nan 0.000 0.426 606 G N 3.007 111.430 108.800 -0.628 0.000 2.690 606 G HA2 0.844 4.795 3.960 -0.014 0.000 0.293 606 G HA3 0.844 4.795 3.960 -0.014 0.000 0.293 606 G C -1.007 173.589 174.900 -0.506 0.000 1.399 606 G CA -0.771 43.803 45.100 -0.876 0.000 0.890 606 G HN 0.985 nan 8.290 nan 0.000 0.485 607 G N -0.424 108.243 108.800 -0.221 0.000 2.352 607 G HA2 0.402 4.354 3.960 -0.014 0.000 0.305 607 G HA3 0.402 4.354 3.960 -0.014 0.000 0.305 607 G C -1.278 173.766 174.900 0.241 0.000 1.537 607 G CA -1.035 44.118 45.100 0.089 0.000 0.959 607 G HN 0.605 nan 8.290 nan 0.000 0.668 608 K N -0.097 120.439 120.400 0.226 0.000 2.118 608 K HA 0.740 5.051 4.320 -0.014 0.000 0.267 608 K C 0.298 177.026 176.600 0.213 0.000 0.991 608 K CA -0.164 56.275 56.287 0.253 0.000 0.916 608 K CB 1.994 34.558 32.500 0.107 0.000 1.041 608 K HN 0.861 nan 8.250 nan 0.000 0.455 609 A N 1.432 124.405 122.820 0.255 0.000 2.312 609 A HA 0.615 4.927 4.320 -0.014 0.000 0.326 609 A C -0.394 177.361 177.584 0.285 0.000 1.172 609 A CA -0.714 51.408 52.037 0.142 0.000 0.821 609 A CB 0.945 19.959 19.000 0.023 0.000 1.166 609 A HN 0.779 nan 8.150 nan 0.000 0.493 610 A N 3.515 126.491 122.820 0.260 0.000 2.540 610 A HA 0.459 4.771 4.320 -0.014 0.000 0.239 610 A C -1.437 176.258 177.584 0.185 0.000 1.061 610 A CA -0.786 51.426 52.037 0.292 0.000 0.758 610 A CB -0.359 18.817 19.000 0.294 0.000 0.991 610 A HN 0.594 nan 8.150 nan 0.000 0.502 611 P HA -0.117 nan 4.420 nan 0.000 0.218 611 P C 1.206 178.514 177.300 0.013 0.000 1.146 611 P CA 1.900 64.958 63.100 -0.069 0.000 0.813 611 P CB 0.247 31.846 31.700 -0.167 0.000 0.778 612 G N -3.093 105.751 108.800 0.074 0.000 3.233 612 G HA2 -0.041 3.911 3.960 -0.014 0.000 0.234 612 G HA3 -0.041 3.911 3.960 -0.014 0.000 0.234 612 G C -0.335 174.652 174.900 0.145 0.000 1.137 612 G CA -0.078 45.065 45.100 0.072 0.000 0.763 612 G HN 0.295 nan 8.290 nan 0.000 0.549 613 Y N 1.737 122.060 120.300 0.038 0.000 2.650 613 Y HA 0.205 4.746 4.550 -0.015 0.000 0.343 613 Y C 1.618 177.563 175.900 0.074 0.000 1.078 613 Y CA -1.062 57.069 58.100 0.052 0.000 1.356 613 Y CB 0.188 38.675 38.460 0.045 0.000 1.204 613 Y HN 0.303 nan 8.280 nan 0.000 0.508 614 H N 4.219 123.448 119.070 0.265 0.000 2.319 614 H HA -0.209 4.339 4.556 -0.014 0.000 0.299 614 H C 1.799 177.197 175.328 0.116 0.000 1.092 614 H CA 2.285 58.421 56.048 0.147 0.000 1.302 614 H CB 0.376 30.202 29.762 0.108 0.000 1.373 614 H HN 0.729 nan 8.280 nan 0.000 0.497 615 M N 1.103 120.771 119.600 0.114 0.000 2.108 615 M HA -0.096 4.375 4.480 -0.014 0.000 0.261 615 M C 2.568 178.689 176.300 -0.299 0.000 1.066 615 M CA 1.901 57.175 55.300 -0.043 0.000 1.107 615 M CB -0.786 31.924 32.600 0.183 0.000 1.356 615 M HN 0.342 nan 8.290 nan 0.000 0.406 616 A N -0.442 121.973 122.820 -0.675 0.000 1.933 616 A HA -0.196 4.116 4.320 -0.014 0.000 0.218 616 A C 2.204 179.601 177.584 -0.313 0.000 1.175 616 A CA 1.884 53.515 52.037 -0.676 0.000 0.628 616 A CB -0.664 17.682 19.000 -1.089 0.000 0.814 616 A HN 0.585 nan 8.150 nan 0.000 0.444 617 K N -1.151 119.125 120.400 -0.207 0.000 2.097 617 K HA -0.071 4.240 4.320 -0.014 0.000 0.205 617 K C 1.950 178.522 176.600 -0.047 0.000 1.050 617 K CA 1.300 57.549 56.287 -0.063 0.000 0.938 617 K CB -0.228 32.294 32.500 0.036 0.000 0.718 617 K HN 0.351 nan 8.250 nan 0.000 0.442 618 M N 0.532 120.055 119.600 -0.129 0.000 2.175 618 M HA -0.086 4.385 4.480 -0.014 0.000 0.264 618 M C 2.121 178.359 176.300 -0.103 0.000 1.063 618 M CA 1.400 56.662 55.300 -0.064 0.000 1.119 618 M CB -0.661 31.886 32.600 -0.088 0.000 1.377 618 M HN 0.125 nan 8.290 nan 0.000 0.415 619 I N -0.212 120.261 120.570 -0.163 0.000 2.226 619 I HA -0.303 3.859 4.170 -0.014 0.000 0.245 619 I C 2.303 178.286 176.117 -0.223 0.000 1.100 619 I CA 1.074 62.261 61.300 -0.187 0.000 1.374 619 I CB -0.325 37.567 38.000 -0.180 0.000 1.057 619 I HN 0.173 nan 8.210 nan 0.000 0.413 620 I N 0.702 121.122 120.570 -0.249 0.000 2.179 620 I HA -0.318 3.843 4.170 -0.014 0.000 0.242 620 I C 2.624 178.449 176.117 -0.488 0.000 1.088 620 I CA 1.334 62.383 61.300 -0.418 0.000 1.357 620 I CB -0.322 37.409 38.000 -0.448 0.000 1.051 620 I HN 0.155 nan 8.210 nan 0.000 0.409 621 K N 1.498 121.627 120.400 -0.451 0.000 2.063 621 K HA -0.171 4.140 4.320 -0.014 0.000 0.208 621 K C 2.053 178.478 176.600 -0.292 0.000 1.048 621 K CA 1.546 57.487 56.287 -0.576 0.000 0.928 621 K CB -0.592 31.272 32.500 -1.060 0.000 0.713 621 K HN 0.232 nan 8.250 nan 0.000 0.442 622 L N 0.383 121.446 121.223 -0.267 0.000 2.012 622 L HA -0.196 4.135 4.340 -0.014 0.000 0.210 622 L C 2.219 178.837 176.870 -0.421 0.000 1.073 622 L CA 1.808 56.304 54.840 -0.573 0.000 0.748 622 L CB -0.315 41.331 42.059 -0.689 0.000 0.891 622 L HN 0.285 nan 8.230 nan 0.000 0.431 623 I N -0.228 120.155 120.570 -0.311 0.000 2.127 623 I HA -0.351 3.811 4.170 -0.014 0.000 0.241 623 I C 2.656 178.670 176.117 -0.172 0.000 1.075 623 I CA 1.995 63.173 61.300 -0.203 0.000 1.334 623 I CB -0.668 37.299 38.000 -0.054 0.000 1.040 623 I HN 0.436 nan 8.210 nan 0.000 0.405 624 T N -0.691 113.732 114.554 -0.218 0.000 2.788 624 T HA -0.114 4.227 4.350 -0.014 0.000 0.268 624 T C 1.978 176.615 174.700 -0.105 0.000 1.044 624 T CA 1.030 63.035 62.100 -0.160 0.000 1.139 624 T CB -0.533 68.194 68.868 -0.236 0.000 0.867 624 T HN 0.351 nan 8.240 nan 0.000 0.454 625 A N 1.327 124.082 122.820 -0.110 0.000 1.930 625 A HA 0.156 4.467 4.320 -0.014 0.000 0.217 625 A C 2.380 179.989 177.584 0.042 0.000 1.175 625 A CA 1.239 53.284 52.037 0.014 0.000 0.627 625 A CB -0.787 18.325 19.000 0.188 0.000 0.815 625 A HN 0.600 nan 8.150 nan 0.000 0.443 626 I N -0.384 120.112 120.570 -0.124 0.000 2.202 626 I HA -0.180 3.982 4.170 -0.014 0.000 0.242 626 I C 2.742 178.820 176.117 -0.064 0.000 1.091 626 I CA 1.119 62.330 61.300 -0.148 0.000 1.368 626 I CB -0.640 37.142 38.000 -0.364 0.000 1.058 626 I HN 0.384 nan 8.210 nan 0.000 0.410 627 G N 0.448 109.201 108.800 -0.077 0.000 2.440 627 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.218 627 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.218 627 G C 1.270 176.155 174.900 -0.025 0.000 1.154 627 G CA 1.103 46.166 45.100 -0.062 0.000 0.767 627 G HN 0.285 nan 8.290 nan 0.000 0.552 628 D N -0.072 120.353 120.400 0.042 0.000 2.182 628 D HA -0.080 4.551 4.640 -0.014 0.000 0.201 628 D C 2.692 179.102 176.300 0.182 0.000 0.986 628 D CA 0.685 54.778 54.000 0.155 0.000 0.847 628 D CB -0.142 40.709 40.800 0.084 0.000 0.942 628 D HN 0.260 nan 8.370 nan 0.000 0.467 629 V N 0.075 120.021 119.914 0.054 0.000 2.331 629 V HA -0.132 3.980 4.120 -0.014 0.000 0.242 629 V C 2.602 178.637 176.094 -0.099 0.000 1.034 629 V CA 0.717 62.990 62.300 -0.044 0.000 1.027 629 V CB -0.305 31.449 31.823 -0.116 0.000 0.667 629 V HN 0.019 nan 8.190 nan 0.000 0.457 630 V N 1.009 120.807 119.914 -0.192 0.000 2.343 630 V HA -0.223 3.889 4.120 -0.014 0.000 0.247 630 V C 2.194 178.240 176.094 -0.080 0.000 1.051 630 V CA 2.113 64.300 62.300 -0.188 0.000 1.036 630 V CB -0.870 30.846 31.823 -0.179 0.000 0.654 630 V HN 0.563 nan 8.190 nan 0.000 0.451 631 N N -0.413 118.181 118.700 -0.177 0.000 2.459 631 N HA -0.087 4.644 4.740 -0.014 0.000 0.181 631 N C 1.274 176.511 175.510 -0.456 0.000 1.046 631 N CA 0.966 53.817 53.050 -0.332 0.000 0.904 631 N CB -0.259 37.948 38.487 -0.466 0.000 0.964 631 N HN 0.696 nan 8.380 nan 0.000 0.444 632 H N -1.519 117.548 119.070 -0.006 0.000 2.784 632 H HA 0.205 4.752 4.556 -0.014 0.000 0.273 632 H C -0.460 174.876 175.328 0.013 0.000 1.112 632 H CA -0.486 55.558 56.048 -0.006 0.000 1.162 632 H CB 0.658 30.406 29.762 -0.023 0.000 1.586 632 H HN -0.013 nan 8.280 nan 0.000 0.548 633 D N 1.904 122.371 120.400 0.113 0.000 2.325 633 D HA 0.026 4.657 4.640 -0.014 0.000 0.251 633 D C -1.615 174.737 176.300 0.087 0.000 1.196 633 D CA -1.849 52.231 54.000 0.133 0.000 0.866 633 D CB 1.669 42.626 40.800 0.262 0.000 1.101 633 D HN 0.129 nan 8.370 nan 0.000 0.476 634 P HA -0.097 nan 4.420 nan 0.000 0.219 634 P C 1.566 178.883 177.300 0.030 0.000 1.150 634 P CA 0.308 63.431 63.100 0.039 0.000 0.814 634 P CB 0.431 32.149 31.700 0.030 0.000 0.787 635 V N -0.564 119.369 119.914 0.031 0.000 2.515 635 V HA -0.162 3.949 4.120 -0.014 0.000 0.250 635 V C 2.457 178.554 176.094 0.005 0.000 1.058 635 V CA 1.447 63.752 62.300 0.010 0.000 1.064 635 V CB -1.034 30.785 31.823 -0.007 0.000 0.675 635 V HN -0.024 nan 8.190 nan 0.000 0.461 636 V N -0.117 119.816 119.914 0.032 0.000 2.307 636 V HA 0.072 4.184 4.120 -0.014 0.000 0.245 636 V C 1.792 177.893 176.094 0.011 0.000 1.045 636 V CA 1.743 64.063 62.300 0.032 0.000 1.024 636 V CB -1.258 30.631 31.823 0.110 0.000 0.651 636 V HN 0.752 nan 8.190 nan 0.000 0.449 637 G N 1.387 110.197 108.800 0.016 0.000 2.527 637 G HA2 -0.356 3.595 3.960 -0.014 0.000 0.268 637 G HA3 -0.356 3.595 3.960 -0.014 0.000 0.268 637 G C 0.281 175.182 174.900 0.001 0.000 1.175 637 G CA 0.418 45.522 45.100 0.008 0.000 0.962 637 G HN 0.653 nan 8.290 nan 0.000 0.560 638 D N 0.463 120.866 120.400 0.005 0.000 2.325 638 D HA 0.141 4.773 4.640 -0.014 0.000 0.225 638 D C 1.934 178.230 176.300 -0.006 0.000 1.096 638 D CA 0.351 54.355 54.000 0.008 0.000 0.844 638 D CB -0.116 40.701 40.800 0.028 0.000 0.925 638 D HN 0.612 nan 8.370 nan 0.000 0.513 639 R N -0.727 119.758 120.500 -0.025 0.000 2.127 639 R HA 0.197 4.528 4.340 -0.014 0.000 0.217 639 R C 0.009 176.266 176.300 -0.071 0.000 1.074 639 R CA 0.244 56.306 56.100 -0.064 0.000 0.991 639 R CB 0.247 30.493 30.300 -0.091 0.000 0.895 639 R HN 0.115 nan 8.270 nan 0.000 0.450 640 L N 0.923 122.121 121.223 -0.043 0.000 2.439 640 L HA 0.387 4.719 4.340 -0.014 0.000 0.270 640 L C -1.422 175.424 176.870 -0.040 0.000 0.972 640 L CA -0.485 54.328 54.840 -0.045 0.000 0.836 640 L CB 1.722 43.769 42.059 -0.020 0.000 1.255 640 L HN -0.163 nan 8.230 nan 0.000 0.404 641 R N 3.897 124.361 120.500 -0.060 0.000 2.621 641 R HA 0.754 5.085 4.340 -0.014 0.000 0.292 641 R C -1.591 174.655 176.300 -0.089 0.000 0.969 641 R CA -0.785 55.271 56.100 -0.074 0.000 0.887 641 R CB 2.412 32.671 30.300 -0.068 0.000 1.180 641 R HN 0.416 nan 8.270 nan 0.000 0.450 642 V N 5.118 124.978 119.914 -0.091 0.000 2.407 642 V HA 0.445 4.556 4.120 -0.014 0.000 0.291 642 V C -0.214 175.838 176.094 -0.069 0.000 1.018 642 V CA -0.701 61.548 62.300 -0.085 0.000 0.842 642 V CB 1.796 33.566 31.823 -0.088 0.000 0.996 642 V HN 0.493 nan 8.190 nan 0.000 0.426 643 I N 4.906 125.435 120.570 -0.069 0.000 2.436 643 I HA 0.398 4.559 4.170 -0.014 0.000 0.289 643 I C -0.554 175.549 176.117 -0.023 0.000 1.010 643 I CA -0.637 60.633 61.300 -0.050 0.000 1.098 643 I CB 1.735 39.681 38.000 -0.090 0.000 1.266 643 I HN 0.546 nan 8.210 nan 0.000 0.434 644 F N 6.944 126.832 119.950 -0.104 0.000 2.404 644 F HA 0.401 4.920 4.527 -0.014 0.000 0.358 644 F C -0.089 175.650 175.800 -0.102 0.000 1.120 644 F CA -0.432 57.508 58.000 -0.100 0.000 1.144 644 F CB 0.692 39.635 39.000 -0.094 0.000 1.133 644 F HN 0.264 nan 8.300 nan 0.000 0.495 645 L N 6.381 127.224 121.223 -0.635 0.000 2.342 645 L HA 0.185 4.516 4.340 -0.014 0.000 0.285 645 L C 0.368 176.996 176.870 -0.403 0.000 1.095 645 L CA -0.145 54.452 54.840 -0.406 0.000 0.843 645 L CB 0.404 42.310 42.059 -0.254 0.000 1.201 645 L HN 0.644 nan 8.230 nan 0.000 0.445 646 E N 3.960 124.060 120.200 -0.167 0.000 2.392 646 E HA -0.074 4.267 4.350 -0.014 0.000 0.264 646 E C 0.449 177.116 176.600 0.112 0.000 1.024 646 E CA -0.275 56.169 56.400 0.073 0.000 0.903 646 E CB 0.418 30.145 29.700 0.044 0.000 0.963 646 E HN 0.552 nan 8.360 nan 0.000 0.432 647 N N 2.484 121.311 118.700 0.212 0.000 2.738 647 N HA -0.277 4.454 4.740 -0.014 0.000 0.249 647 N C -1.566 174.049 175.510 0.176 0.000 1.047 647 N CA 0.551 53.723 53.050 0.203 0.000 0.707 647 N CB -1.657 36.966 38.487 0.227 0.000 0.937 647 N HN 0.499 nan 8.380 nan 0.000 0.545 648 Y N 1.622 121.941 120.300 0.032 0.000 2.620 648 Y HA 0.208 4.749 4.550 -0.015 0.000 0.330 648 Y C 1.117 177.047 175.900 0.050 0.000 1.186 648 Y CA 0.670 58.775 58.100 0.009 0.000 1.467 648 Y CB 0.335 38.764 38.460 -0.052 0.000 1.262 648 Y HN 0.374 nan 8.280 nan 0.000 0.550 649 R N 2.458 122.600 120.500 -0.596 0.000 2.741 649 R HA 0.395 4.727 4.340 -0.014 0.000 0.274 649 R C -0.616 175.363 176.300 -0.535 0.000 1.029 649 R CA -0.567 55.297 56.100 -0.393 0.000 0.880 649 R CB 0.277 30.549 30.300 -0.048 0.000 1.264 649 R HN 0.372 nan 8.270 nan 0.000 0.465 650 V N 1.119 120.742 119.914 -0.485 0.000 2.282 650 V HA -0.294 3.817 4.120 -0.014 0.000 0.249 650 V C 2.606 178.579 176.094 -0.202 0.000 1.057 650 V CA 2.871 64.945 62.300 -0.377 0.000 1.032 650 V CB -0.819 30.733 31.823 -0.452 0.000 0.645 650 V HN 0.923 nan 8.190 nan 0.000 0.447 651 S N -0.025 115.580 115.700 -0.159 0.000 2.399 651 S HA -0.178 4.283 4.470 -0.014 0.000 0.231 651 S C 1.928 176.482 174.600 -0.077 0.000 1.022 651 S CA 1.672 59.807 58.200 -0.108 0.000 0.983 651 S CB -0.506 62.661 63.200 -0.056 0.000 0.803 651 S HN 0.389 nan 8.310 nan 0.000 0.480 652 L N 1.931 123.120 121.223 -0.057 0.000 2.109 652 L HA 0.329 4.661 4.340 -0.014 0.000 0.207 652 L C 2.707 179.603 176.870 0.044 0.000 1.086 652 L CA 1.400 56.254 54.840 0.022 0.000 0.760 652 L CB -1.308 40.828 42.059 0.127 0.000 0.910 652 L HN 0.355 nan 8.230 nan 0.000 0.437 653 A N -0.685 122.139 122.820 0.006 0.000 1.908 653 A HA -0.248 4.064 4.320 -0.014 0.000 0.218 653 A C 2.134 179.786 177.584 0.114 0.000 1.181 653 A CA 1.884 54.002 52.037 0.135 0.000 0.627 653 A CB -0.636 18.426 19.000 0.103 0.000 0.818 653 A HN 0.592 nan 8.150 nan 0.000 0.445 654 E N -0.527 119.720 120.200 0.079 0.000 2.333 654 E HA -0.156 4.185 4.350 -0.014 0.000 0.198 654 E C 1.856 178.425 176.600 -0.053 0.000 1.007 654 E CA 1.148 57.546 56.400 -0.004 0.000 0.845 654 E CB -0.033 29.566 29.700 -0.167 0.000 0.766 654 E HN 0.630 nan 8.360 nan 0.000 0.507 655 K N -0.096 120.259 120.400 -0.076 0.000 2.190 655 K HA 0.036 4.347 4.320 -0.014 0.000 0.202 655 K C 2.129 178.569 176.600 -0.267 0.000 1.045 655 K CA 0.386 56.617 56.287 -0.093 0.000 0.976 655 K CB 0.058 32.504 32.500 -0.089 0.000 0.849 655 K HN -0.049 nan 8.250 nan 0.000 0.468 656 V N 1.870 121.536 119.914 -0.414 0.000 2.488 656 V HA -0.123 3.988 4.120 -0.014 0.000 0.246 656 V C 1.900 177.749 176.094 -0.408 0.000 1.046 656 V CA 1.207 63.023 62.300 -0.807 0.000 1.053 656 V CB -0.146 31.314 31.823 -0.605 0.000 0.679 656 V HN 0.229 nan 8.190 nan 0.000 0.458 657 I N 0.736 121.121 120.570 -0.308 0.000 2.163 657 I HA -0.138 4.023 4.170 -0.014 0.000 0.243 657 I C -0.211 175.793 176.117 -0.188 0.000 1.085 657 I CA 1.710 62.756 61.300 -0.423 0.000 1.347 657 I CB -1.562 36.030 38.000 -0.681 0.000 1.044 657 I HN 0.360 nan 8.210 nan 0.000 0.408 658 P HA -0.147 nan 4.420 nan 0.000 0.221 658 P C 1.065 178.362 177.300 -0.004 0.000 1.145 658 P CA 1.427 64.505 63.100 -0.037 0.000 0.795 658 P CB -0.006 31.680 31.700 -0.024 0.000 0.775 659 A N -1.087 121.715 122.820 -0.031 0.000 2.178 659 A HA 0.411 4.722 4.320 -0.014 0.000 0.211 659 A C 1.241 178.930 177.584 0.175 0.000 1.157 659 A CA 0.250 52.325 52.037 0.062 0.000 0.780 659 A CB -0.763 18.282 19.000 0.076 0.000 0.828 659 A HN 0.210 nan 8.150 nan 0.000 0.476 660 A N 0.067 122.989 122.820 0.170 0.000 2.388 660 A HA 0.449 4.760 4.320 -0.014 0.000 0.257 660 A C 0.367 178.104 177.584 0.256 0.000 1.095 660 A CA -0.134 52.069 52.037 0.276 0.000 0.791 660 A CB 0.307 19.568 19.000 0.435 0.000 1.029 660 A HN 0.287 nan 8.150 nan 0.000 0.489 661 D N 0.646 121.197 120.400 0.252 0.000 2.338 661 D HA 0.110 4.742 4.640 -0.014 0.000 0.224 661 D C 0.106 176.628 176.300 0.370 0.000 0.967 661 D CA 0.800 55.003 54.000 0.338 0.000 0.896 661 D CB 0.260 41.168 40.800 0.181 0.000 1.028 661 D HN 0.375 nan 8.370 nan 0.000 0.493 662 L N 1.011 122.327 121.223 0.154 0.000 2.356 662 L HA 0.290 4.622 4.340 -0.014 0.000 0.277 662 L C -0.827 175.915 176.870 -0.214 0.000 0.996 662 L CA -0.318 54.531 54.840 0.016 0.000 0.822 662 L CB 2.116 44.154 42.059 -0.034 0.000 1.256 662 L HN -0.186 nan 8.230 nan 0.000 0.413 663 S N 4.210 119.695 115.700 -0.358 0.000 2.422 663 S HA 0.321 4.783 4.470 -0.014 0.000 0.308 663 S C -0.392 173.922 174.600 -0.478 0.000 1.097 663 S CA -0.670 57.069 58.200 -0.768 0.000 1.099 663 S CB 0.618 63.338 63.200 -0.800 0.000 0.976 663 S HN 0.544 nan 8.310 nan 0.000 0.471 664 E N 4.120 124.049 120.200 -0.451 0.000 2.089 664 E HA 0.207 4.548 4.350 -0.014 0.000 0.284 664 E C -0.536 175.943 176.600 -0.201 0.000 1.023 664 E CA -0.378 55.885 56.400 -0.228 0.000 0.819 664 E CB 0.979 30.576 29.700 -0.172 0.000 1.076 664 E HN 0.602 nan 8.360 nan 0.000 0.396 665 Q N 2.865 122.604 119.800 -0.102 0.000 3.064 665 Q HA 0.276 4.608 4.340 -0.014 0.000 0.258 665 Q C 0.585 176.570 176.000 -0.024 0.000 0.972 665 Q CA -0.131 55.629 55.803 -0.072 0.000 0.761 665 Q CB 0.279 28.988 28.738 -0.048 0.000 1.281 665 Q HN 0.617 nan 8.270 nan 0.000 0.455 666 I N -1.762 118.778 120.570 -0.050 0.000 3.569 666 I HA 0.276 4.437 4.170 -0.014 0.000 0.334 666 I C 0.373 176.437 176.117 -0.088 0.000 1.570 666 I CA -0.693 60.594 61.300 -0.023 0.000 1.082 666 I CB 0.607 38.602 38.000 -0.007 0.000 1.323 666 I HN 0.022 nan 8.210 nan 0.000 0.489 667 S N 0.481 116.126 115.700 -0.090 0.000 2.568 667 S HA 0.179 4.640 4.470 -0.014 0.000 0.282 667 S C 0.582 175.162 174.600 -0.032 0.000 1.338 667 S CA -0.212 57.953 58.200 -0.058 0.000 1.045 667 S CB 0.279 63.495 63.200 0.027 0.000 0.873 667 S HN 0.383 nan 8.310 nan 0.000 0.516 668 T N 2.985 117.553 114.554 0.023 0.000 2.908 668 T HA 0.350 4.692 4.350 -0.014 0.000 0.301 668 T C 0.794 175.508 174.700 0.023 0.000 1.019 668 T CA 0.312 62.436 62.100 0.040 0.000 1.152 668 T CB -0.108 68.858 68.868 0.162 0.000 0.966 668 T HN 1.037 nan 8.240 nan 0.000 0.540 669 A N 2.780 125.582 122.820 -0.030 0.000 2.584 669 A HA 0.446 4.757 4.320 -0.014 0.000 0.239 669 A C 1.649 179.230 177.584 -0.006 0.000 1.043 669 A CA 0.293 52.308 52.037 -0.036 0.000 0.756 669 A CB -0.869 18.097 19.000 -0.057 0.000 0.963 669 A HN 1.761 nan 8.150 nan 0.000 0.511 670 G N 1.326 110.122 108.800 -0.008 0.000 2.176 670 G HA2 -0.232 3.719 3.960 -0.014 0.000 0.232 670 G HA3 -0.232 3.719 3.960 -0.014 0.000 0.232 670 G C 0.824 175.717 174.900 -0.011 0.000 0.986 670 G CA 1.129 46.225 45.100 -0.005 0.000 0.643 670 G HN 1.997 nan 8.290 nan 0.000 0.522 671 T N -2.567 111.981 114.554 -0.011 0.000 3.026 671 T HA 0.412 4.754 4.350 -0.014 0.000 0.245 671 T C 0.732 175.284 174.700 -0.247 0.000 1.004 671 T CA 1.016 63.052 62.100 -0.107 0.000 1.069 671 T CB 0.545 69.416 68.868 0.004 0.000 1.005 671 T HN 0.280 nan 8.240 nan 0.000 0.472 672 E N 1.645 121.836 120.200 -0.015 0.000 2.052 672 E HA 0.653 4.994 4.350 -0.014 0.000 0.283 672 E C 1.179 177.727 176.600 -0.087 0.000 1.071 672 E CA 0.106 56.537 56.400 0.051 0.000 0.851 672 E CB 0.805 30.592 29.700 0.146 0.000 1.066 672 E HN 0.357 nan 8.360 nan 0.000 0.396 673 A N 3.466 126.152 122.820 -0.223 0.000 1.892 673 A HA -0.222 4.089 4.320 -0.014 0.000 0.218 673 A C 2.002 179.446 177.584 -0.232 0.000 1.188 673 A CA 2.295 54.056 52.037 -0.460 0.000 0.631 673 A CB -0.294 18.211 19.000 -0.825 0.000 0.822 673 A HN 0.611 nan 8.150 nan 0.000 0.447 674 S N -3.849 111.779 115.700 -0.120 0.000 3.770 674 S HA 0.450 4.911 4.470 -0.014 0.000 0.238 674 S C 0.722 175.306 174.600 -0.028 0.000 1.143 674 S CA 1.437 59.613 58.200 -0.040 0.000 0.869 674 S CB -0.133 63.066 63.200 -0.002 0.000 1.057 674 S HN 2.280 nan 8.310 nan 0.000 0.507 675 G N 0.394 109.183 108.800 -0.018 0.000 2.722 675 G HA2 -0.062 3.889 3.960 -0.014 0.000 0.686 675 G HA3 -0.062 3.889 3.960 -0.014 0.000 0.686 675 G C 0.244 175.119 174.900 -0.041 0.000 1.282 675 G CA 0.440 45.528 45.100 -0.020 0.000 0.817 675 G HN 1.317 nan 8.290 nan 0.000 0.605 676 T N -1.703 112.813 114.554 -0.063 0.000 2.992 676 T HA 0.385 4.726 4.350 -0.014 0.000 0.255 676 T C 2.392 176.987 174.700 -0.175 0.000 0.938 676 T CA 1.258 63.290 62.100 -0.113 0.000 0.895 676 T CB 0.266 69.057 68.868 -0.128 0.000 1.221 676 T HN 1.903 nan 8.240 nan 0.000 0.512 677 G N 3.298 112.025 108.800 -0.121 0.000 2.469 677 G HA2 -0.315 3.636 3.960 -0.014 0.000 0.219 677 G HA3 -0.315 3.636 3.960 -0.014 0.000 0.219 677 G C 1.464 176.426 174.900 0.104 0.000 1.150 677 G CA 1.302 46.362 45.100 -0.067 0.000 0.763 677 G HN 0.838 nan 8.290 nan 0.000 0.561 678 N N -0.048 118.691 118.700 0.065 0.000 2.091 678 N HA -0.129 4.602 4.740 -0.014 0.000 0.193 678 N C 1.455 176.972 175.510 0.011 0.000 1.021 678 N CA 0.760 53.843 53.050 0.055 0.000 0.862 678 N CB -0.365 38.107 38.487 -0.025 0.000 1.018 678 N HN 0.353 nan 8.380 nan 0.000 0.429 682 M N 0.236 119.924 119.600 0.148 0.000 2.117 682 M HA -0.137 4.334 4.480 -0.014 0.000 0.262 682 M C 1.975 178.331 176.300 0.094 0.000 1.065 682 M CA 1.761 57.120 55.300 0.098 0.000 1.114 682 M CB -0.060 32.588 32.600 0.080 0.000 1.361 682 M HN 0.313 nan 8.290 nan 0.000 0.408 683 L N 0.748 122.023 121.223 0.086 0.000 2.275 683 L HA -0.090 4.242 4.340 -0.014 0.000 0.215 683 L C 1.340 178.256 176.870 0.076 0.000 1.119 683 L CA 1.604 56.501 54.840 0.094 0.000 0.790 683 L CB -0.585 41.538 42.059 0.107 0.000 0.919 683 L HN 0.340 nan 8.230 nan 0.000 0.443 684 N N -0.403 118.333 118.700 0.060 0.000 2.214 684 N HA 0.176 4.907 4.740 -0.014 0.000 0.214 684 N C 0.842 176.389 175.510 0.063 0.000 1.132 684 N CA 0.790 53.869 53.050 0.048 0.000 0.856 684 N CB 0.645 39.138 38.487 0.009 0.000 1.020 684 N HN 0.381 nan 8.380 nan 0.000 0.509 685 G N 0.562 109.406 108.800 0.073 0.000 2.142 685 G HA2 -0.191 3.761 3.960 -0.014 0.000 0.225 685 G HA3 -0.191 3.761 3.960 -0.014 0.000 0.225 685 G C -0.018 174.954 174.900 0.121 0.000 1.015 685 G CA 0.111 45.255 45.100 0.072 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.250 122.653 122.820 0.139 0.000 2.312 686 A HA 0.877 5.188 4.320 -0.014 0.000 0.328 686 A C 0.454 178.054 177.584 0.025 0.000 1.158 686 A CA -0.604 51.532 52.037 0.166 0.000 0.821 686 A CB 0.970 20.126 19.000 0.260 0.000 1.170 686 A HN 0.715 nan 8.150 nan 0.000 0.490 687 L N 0.828 122.025 121.223 -0.043 0.000 2.421 687 L HA 0.428 4.759 4.340 -0.014 0.000 0.263 687 L C 0.193 176.949 176.870 -0.190 0.000 1.122 687 L CA -0.307 54.415 54.840 -0.195 0.000 0.804 687 L CB 1.411 43.253 42.059 -0.362 0.000 1.150 687 L HN 0.687 nan 8.230 nan 0.000 0.457 688 T N 2.705 117.028 114.554 -0.385 0.000 2.779 688 T HA 0.431 4.773 4.350 -0.014 0.000 0.280 688 T C -0.341 174.135 174.700 -0.374 0.000 0.987 688 T CA -0.256 61.535 62.100 -0.516 0.000 0.966 688 T CB 1.405 69.728 68.868 -0.909 0.000 0.933 688 T HN 0.346 nan 8.240 nan 0.000 0.442 689 I N 3.213 123.694 120.570 -0.148 0.000 2.312 689 I HA 0.680 4.841 4.170 -0.014 0.000 0.290 689 I C 0.144 176.379 176.117 0.198 0.000 1.008 689 I CA 0.110 61.454 61.300 0.074 0.000 1.226 689 I CB 0.181 38.185 38.000 0.006 0.000 1.371 689 I HN 0.760 nan 8.210 nan 0.000 0.468 690 G N 4.111 113.113 108.800 0.337 0.000 2.698 690 G HA2 0.469 4.420 3.960 -0.014 0.000 0.293 690 G HA3 0.469 4.420 3.960 -0.014 0.000 0.293 690 G C -0.827 174.019 174.900 -0.089 0.000 1.437 690 G CA -0.495 44.729 45.100 0.206 0.000 0.852 690 G HN 0.582 nan 8.290 nan 0.000 0.499 691 T N -0.882 113.465 114.554 -0.345 0.000 2.849 691 T HA 0.468 4.809 4.350 -0.014 0.000 0.284 691 T C 0.790 175.379 174.700 -0.185 0.000 1.004 691 T CA -0.678 61.142 62.100 -0.466 0.000 1.021 691 T CB 1.079 69.688 68.868 -0.432 0.000 1.013 691 T HN 0.251 nan 8.240 nan 0.000 0.527 692 M N 2.952 122.450 119.600 -0.169 0.000 3.436 692 M HA 0.317 4.788 4.480 -0.014 0.000 0.240 692 M C -0.406 175.840 176.300 -0.090 0.000 1.469 692 M CA -0.018 55.215 55.300 -0.112 0.000 1.622 692 M CB -1.763 30.778 32.600 -0.099 0.000 1.098 692 M HN 0.741 nan 8.290 nan 0.000 0.568 693 D N -0.055 120.300 120.400 -0.076 0.000 2.601 693 D HA 0.675 5.306 4.640 -0.014 0.000 0.230 693 D C 0.722 177.000 176.300 -0.037 0.000 1.106 693 D CA 0.710 54.681 54.000 -0.050 0.000 0.873 693 D CB 1.737 42.511 40.800 -0.043 0.000 1.515 693 D HN 0.590 nan 8.370 nan 0.000 0.468 694 G N 1.648 110.436 108.800 -0.021 0.000 2.627 694 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.312 694 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.312 694 G C 1.037 175.927 174.900 -0.017 0.000 1.299 694 G CA 1.218 46.309 45.100 -0.015 0.000 0.989 694 G HN 1.075 nan 8.290 nan 0.000 0.547 695 A N -0.318 122.486 122.820 -0.027 0.000 2.167 695 A HA 0.110 4.422 4.320 -0.014 0.000 0.214 695 A C 2.109 179.621 177.584 -0.120 0.000 1.151 695 A CA 1.779 53.791 52.037 -0.041 0.000 0.735 695 A CB -0.429 18.534 19.000 -0.061 0.000 0.802 695 A HN 0.612 nan 8.150 nan 0.000 0.467 696 N N 0.626 119.267 118.700 -0.098 0.000 2.094 696 N HA -0.160 4.572 4.740 -0.014 0.000 0.191 696 N C 1.627 176.973 175.510 -0.273 0.000 1.023 696 N CA 1.623 54.605 53.050 -0.114 0.000 0.857 696 N CB -0.676 37.814 38.487 0.004 0.000 1.013 696 N HN 0.286 nan 8.380 nan 0.000 0.426 697 V N 1.331 121.143 119.914 -0.170 0.000 2.282 697 V HA -0.239 3.872 4.120 -0.014 0.000 0.249 697 V C 1.996 178.001 176.094 -0.148 0.000 1.057 697 V CA 1.794 63.995 62.300 -0.164 0.000 1.032 697 V CB -0.538 31.234 31.823 -0.086 0.000 0.645 697 V HN 0.363 nan 8.190 nan 0.000 0.447 698 E N -0.723 119.452 120.200 -0.042 0.000 2.208 698 E HA -0.128 4.213 4.350 -0.014 0.000 0.193 698 E C 2.205 178.919 176.600 0.189 0.000 0.988 698 E CA 1.009 57.466 56.400 0.095 0.000 0.828 698 E CB -0.177 29.666 29.700 0.238 0.000 0.763 698 E HN 0.552 nan 8.360 nan 0.000 0.478 699 M N 0.376 119.971 119.600 -0.009 0.000 2.099 699 M HA -0.132 4.339 4.480 -0.014 0.000 0.262 699 M C 2.484 178.613 176.300 -0.285 0.000 1.067 699 M CA 1.500 56.740 55.300 -0.101 0.000 1.124 699 M CB -0.165 32.261 32.600 -0.291 0.000 1.353 699 M HN 0.141 nan 8.290 nan 0.000 0.410 700 A N -0.098 122.263 122.820 -0.766 0.000 1.933 700 A HA -0.214 4.097 4.320 -0.014 0.000 0.218 700 A C 1.972 179.389 177.584 -0.278 0.000 1.175 700 A CA 1.933 53.499 52.037 -0.784 0.000 0.628 700 A CB -0.795 17.674 19.000 -0.885 0.000 0.814 700 A HN 0.585 nan 8.150 nan 0.000 0.444 701 E N -0.311 119.779 120.200 -0.183 0.000 2.051 701 E HA -0.230 4.111 4.350 -0.014 0.000 0.192 701 E C 1.836 178.416 176.600 -0.033 0.000 0.991 701 E CA 1.379 57.730 56.400 -0.082 0.000 0.799 701 E CB -0.101 29.568 29.700 -0.052 0.000 0.748 701 E HN 0.554 nan 8.360 nan 0.000 0.449 702 E N 0.184 120.395 120.200 0.018 0.000 2.047 702 E HA -0.156 4.185 4.350 -0.014 0.000 0.191 702 E C 1.943 178.570 176.600 0.045 0.000 0.987 702 E CA 1.207 57.635 56.400 0.047 0.000 0.799 702 E CB -0.318 29.460 29.700 0.130 0.000 0.752 702 E HN 0.382 nan 8.360 nan 0.000 0.449 703 A N 0.476 123.333 122.820 0.062 0.000 2.067 703 A HA 0.273 4.584 4.320 -0.014 0.000 0.217 703 A C 1.111 178.710 177.584 0.026 0.000 1.156 703 A CA 1.219 53.297 52.037 0.069 0.000 0.683 703 A CB -0.202 18.883 19.000 0.143 0.000 0.808 703 A HN 0.290 nan 8.150 nan 0.000 0.455 704 G N -0.773 108.022 108.800 -0.009 0.000 2.907 704 G HA2 -0.106 3.846 3.960 -0.014 0.000 0.686 704 G HA3 -0.106 3.846 3.960 -0.014 0.000 0.686 704 G C -0.021 174.863 174.900 -0.026 0.000 1.115 704 G CA -0.000 45.085 45.100 -0.024 0.000 0.760 704 G HN 0.266 nan 8.290 nan 0.000 0.620 705 E N 0.901 121.075 120.200 -0.044 0.000 2.265 705 E HA -0.141 4.200 4.350 -0.014 0.000 0.196 705 E C 1.977 178.562 176.600 -0.024 0.000 0.996 705 E CA 1.658 58.038 56.400 -0.033 0.000 0.832 705 E CB 0.093 29.770 29.700 -0.039 0.000 0.756 705 E HN 0.751 nan 8.360 nan 0.000 0.491 706 E N 0.615 120.787 120.200 -0.046 0.000 2.347 706 E HA -0.064 4.277 4.350 -0.014 0.000 0.196 706 E C 0.863 177.374 176.600 -0.148 0.000 1.008 706 E CA 0.554 56.904 56.400 -0.083 0.000 0.852 706 E CB 0.030 29.693 29.700 -0.061 0.000 0.783 706 E HN 0.116 nan 8.360 nan 0.000 0.505 707 N N -0.252 118.390 118.700 -0.097 0.000 2.273 707 N HA 0.171 4.902 4.740 -0.014 0.000 0.231 707 N C -1.107 174.341 175.510 -0.103 0.000 1.134 707 N CA 0.018 52.988 53.050 -0.133 0.000 0.856 707 N CB 0.424 38.881 38.487 -0.050 0.000 1.068 707 N HN 0.047 nan 8.380 nan 0.000 0.510 708 F N -0.193 119.551 119.950 -0.343 0.000 2.581 708 F HA 0.375 4.892 4.527 -0.016 0.000 0.311 708 F C -1.074 174.534 175.800 -0.320 0.000 1.113 708 F CA -1.028 56.822 58.000 -0.250 0.000 0.935 708 F CB 1.255 40.186 39.000 -0.114 0.000 1.232 708 F HN -0.208 nan 8.300 nan 0.000 0.445 709 F N 6.418 126.323 119.950 -0.074 0.000 2.499 709 F HA 0.405 4.923 4.527 -0.014 0.000 0.353 709 F C -0.003 175.923 175.800 0.210 0.000 1.196 709 F CA -0.295 57.729 58.000 0.039 0.000 1.244 709 F CB -0.086 38.884 39.000 -0.050 0.000 1.577 709 F HN 0.107 nan 8.300 nan 0.000 0.614 710 I N 4.175 124.964 120.570 0.364 0.000 2.396 710 I HA 0.352 4.513 4.170 -0.014 0.000 0.292 710 I C -0.234 176.080 176.117 0.327 0.000 0.999 710 I CA -0.561 60.927 61.300 0.313 0.000 1.310 710 I CB 0.748 38.856 38.000 0.181 0.000 1.404 710 I HN 0.348 nan 8.210 nan 0.000 0.496 711 F N 3.733 123.760 119.950 0.129 0.000 2.662 711 F HA 0.930 5.448 4.527 -0.015 0.000 0.312 711 F C -0.028 175.818 175.800 0.077 0.000 1.113 711 F CA -0.627 57.434 58.000 0.103 0.000 0.951 711 F CB 1.067 40.140 39.000 0.123 0.000 1.344 711 F HN 0.768 nan 8.300 nan 0.000 0.462 712 G N 1.119 109.993 108.800 0.122 0.000 2.710 712 G HA2 -0.055 3.896 3.960 -0.014 0.000 0.668 712 G HA3 -0.055 3.896 3.960 -0.014 0.000 0.668 712 G C -0.943 173.936 174.900 -0.035 0.000 1.320 712 G CA -0.665 44.447 45.100 0.021 0.000 0.860 712 G HN 0.958 nan 8.290 nan 0.000 0.538 713 M N 0.984 120.575 119.600 -0.015 0.000 2.249 713 M HA 0.209 4.680 4.480 -0.014 0.000 0.340 713 M C 1.275 177.544 176.300 -0.052 0.000 1.166 713 M CA 0.052 55.348 55.300 -0.008 0.000 1.115 713 M CB 0.278 32.882 32.600 0.007 0.000 1.606 713 M HN 0.516 nan 8.290 nan 0.000 0.448 714 R N 1.798 122.279 120.500 -0.031 0.000 2.580 714 R HA 0.233 4.564 4.340 -0.014 0.000 0.267 714 R C 1.236 177.519 176.300 -0.028 0.000 1.125 714 R CA -0.508 55.568 56.100 -0.039 0.000 1.188 714 R CB -0.031 30.252 30.300 -0.028 0.000 1.155 714 R HN 0.577 nan 8.270 nan 0.000 0.586 715 V N 1.512 121.407 119.914 -0.031 0.000 2.324 715 V HA -0.282 3.829 4.120 -0.014 0.000 0.250 715 V C 1.929 178.014 176.094 -0.015 0.000 1.060 715 V CA 2.075 64.361 62.300 -0.024 0.000 1.042 715 V CB -0.483 31.323 31.823 -0.028 0.000 0.650 715 V HN 0.630 nan 8.190 nan 0.000 0.450 716 E N 0.139 120.331 120.200 -0.012 0.000 2.110 716 E HA -0.183 4.159 4.350 -0.014 0.000 0.193 716 E C 1.944 178.550 176.600 0.010 0.000 0.988 716 E CA 1.404 57.802 56.400 -0.003 0.000 0.804 716 E CB -0.344 29.354 29.700 -0.002 0.000 0.745 716 E HN 0.643 nan 8.360 nan 0.000 0.458 717 D N -0.266 120.142 120.400 0.014 0.000 2.183 717 D HA -0.086 4.545 4.640 -0.014 0.000 0.203 717 D C 1.948 178.269 176.300 0.036 0.000 0.969 717 D CA 0.683 54.703 54.000 0.033 0.000 0.842 717 D CB -0.077 40.746 40.800 0.039 0.000 0.957 717 D HN 0.072 nan 8.370 nan 0.000 0.484 718 V N 1.774 121.696 119.914 0.014 0.000 2.307 718 V HA -0.205 3.906 4.120 -0.014 0.000 0.245 718 V C 1.991 178.091 176.094 0.009 0.000 1.045 718 V CA 1.642 63.944 62.300 0.002 0.000 1.024 718 V CB -0.411 31.402 31.823 -0.016 0.000 0.651 718 V HN 0.009 nan 8.190 nan 0.000 0.449 719 D N 0.031 120.435 120.400 0.006 0.000 2.104 719 D HA -0.171 4.460 4.640 -0.014 0.000 0.194 719 D C 2.419 178.734 176.300 0.024 0.000 0.994 719 D CA 1.396 55.401 54.000 0.008 0.000 0.830 719 D CB -0.270 40.531 40.800 0.001 0.000 0.959 719 D HN 0.357 nan 8.370 nan 0.000 0.452 720 R N 0.067 120.587 120.500 0.032 0.000 2.083 720 R HA -0.056 4.275 4.340 -0.014 0.000 0.237 720 R C 2.547 178.886 176.300 0.065 0.000 1.137 720 R CA 0.597 56.724 56.100 0.045 0.000 0.951 720 R CB -0.451 29.878 30.300 0.048 0.000 0.851 720 R HN 0.209 nan 8.270 nan 0.000 0.434 721 L N 0.712 121.986 121.223 0.084 0.000 2.083 721 L HA -0.217 4.114 4.340 -0.014 0.000 0.209 721 L C 1.514 178.457 176.870 0.122 0.000 1.083 721 L CA 1.361 56.280 54.840 0.132 0.000 0.752 721 L CB -0.285 41.874 42.059 0.167 0.000 0.899 721 L HN 0.234 nan 8.230 nan 0.000 0.433 722 D N -0.592 119.853 120.400 0.075 0.000 2.144 722 D HA -0.202 4.429 4.640 -0.014 0.000 0.199 722 D C 2.223 178.556 176.300 0.054 0.000 0.984 722 D CA 1.068 55.102 54.000 0.058 0.000 0.834 722 D CB -0.012 40.800 40.800 0.020 0.000 0.955 722 D HN 0.431 nan 8.370 nan 0.000 0.465 723 Q N 0.025 119.853 119.800 0.047 0.000 2.050 723 Q HA -0.088 4.244 4.340 -0.014 0.000 0.202 723 Q C 2.257 178.285 176.000 0.046 0.000 0.980 723 Q CA 0.962 56.788 55.803 0.039 0.000 0.840 723 Q CB 0.019 28.776 28.738 0.032 0.000 0.898 723 Q HN 0.126 nan 8.270 nan 0.000 0.424 724 R N -0.222 120.314 120.500 0.060 0.000 2.115 724 R HA -0.002 4.329 4.340 -0.014 0.000 0.226 724 R C -0.141 176.200 176.300 0.069 0.000 1.100 724 R CA 0.900 57.036 56.100 0.061 0.000 0.980 724 R CB 0.146 30.489 30.300 0.071 0.000 0.875 724 R HN 0.288 nan 8.270 nan 0.000 0.445 725 G N -0.193 108.662 108.800 0.092 0.000 3.338 725 G HA2 -0.269 3.682 3.960 -0.014 0.000 0.686 725 G HA3 -0.269 3.682 3.960 -0.014 0.000 0.686 725 G C -1.334 173.663 174.900 0.161 0.000 1.053 725 G CA -0.325 44.839 45.100 0.107 0.000 0.852 725 G HN 0.292 nan 8.290 nan 0.000 0.545 726 Y N 3.115 123.454 120.300 0.066 0.000 2.436 726 Y HA 0.578 5.120 4.550 -0.014 0.000 0.343 726 Y C 0.299 176.266 175.900 0.113 0.000 1.008 726 Y CA -1.042 57.118 58.100 0.101 0.000 1.241 726 Y CB 1.089 39.588 38.460 0.066 0.000 1.153 726 Y HN 0.636 nan 8.280 nan 0.000 0.521 727 N N 4.840 123.336 118.700 -0.341 0.000 2.558 727 N HA 0.361 5.093 4.740 -0.014 0.000 0.242 727 N C 0.283 175.556 175.510 -0.395 0.000 0.979 727 N CA 0.240 53.099 53.050 -0.320 0.000 0.931 727 N CB 1.224 39.644 38.487 -0.112 0.000 1.122 727 N HN 0.766 nan 8.380 nan 0.000 0.508 728 A N 2.880 125.386 122.820 -0.523 0.000 1.972 728 A HA -0.181 4.130 4.320 -0.014 0.000 0.219 728 A C 1.883 179.626 177.584 0.266 0.000 1.169 728 A CA 1.384 53.354 52.037 -0.113 0.000 0.635 728 A CB -0.472 18.381 19.000 -0.245 0.000 0.810 728 A HN 0.717 nan 8.150 nan 0.000 0.446 729 Q N 0.219 120.063 119.800 0.074 0.000 2.135 729 Q HA -0.229 4.103 4.340 -0.014 0.000 0.204 729 Q C 1.897 177.984 176.000 0.145 0.000 0.981 729 Q CA 2.220 58.087 55.803 0.106 0.000 0.856 729 Q CB -0.342 28.411 28.738 0.025 0.000 0.902 729 Q HN 0.773 nan 8.270 nan 0.000 0.425 730 E N -1.322 118.896 120.200 0.030 0.000 2.070 730 E HA -0.253 4.089 4.350 -0.014 0.000 0.197 730 E C 1.584 178.113 176.600 -0.119 0.000 1.004 730 E CA 1.596 57.934 56.400 -0.103 0.000 0.805 730 E CB -0.225 29.308 29.700 -0.279 0.000 0.744 730 E HN 0.588 nan 8.360 nan 0.000 0.451 731 Y N -1.074 119.292 120.300 0.109 0.000 2.200 731 Y HA -0.211 4.330 4.550 -0.014 0.000 0.290 731 Y C 2.255 178.150 175.900 -0.009 0.000 1.137 731 Y CA 1.541 59.693 58.100 0.087 0.000 1.163 731 Y CB -0.756 37.815 38.460 0.185 0.000 0.988 731 Y HN 0.228 nan 8.280 nan 0.000 0.518 732 Y N 1.395 121.723 120.300 0.047 0.000 2.151 732 Y HA -0.303 4.238 4.550 -0.014 0.000 0.284 732 Y C 1.802 177.667 175.900 -0.057 0.000 1.166 732 Y CA 1.953 60.002 58.100 -0.086 0.000 1.163 732 Y CB -0.337 38.128 38.460 0.008 0.000 0.974 732 Y HN 0.093 nan 8.280 nan 0.000 0.511 733 D N -0.458 120.017 120.400 0.125 0.000 2.224 733 D HA -0.071 4.560 4.640 -0.014 0.000 0.205 733 D C 1.964 178.232 176.300 -0.053 0.000 0.965 733 D CA 1.158 55.178 54.000 0.033 0.000 0.852 733 D CB -0.117 40.731 40.800 0.079 0.000 0.947 733 D HN 0.444 nan 8.370 nan 0.000 0.494 734 R N -0.608 119.863 120.500 -0.048 0.000 2.282 734 R HA 0.218 4.550 4.340 -0.014 0.000 0.195 734 R C 0.206 176.485 176.300 -0.036 0.000 0.909 734 R CA -0.150 55.925 56.100 -0.042 0.000 1.039 734 R CB 1.024 31.298 30.300 -0.043 0.000 1.015 734 R HN 0.039 nan 8.270 nan 0.000 0.513 735 I N 1.165 121.698 120.570 -0.063 0.000 2.420 735 I HA 0.297 4.458 4.170 -0.014 0.000 0.282 735 I C -2.446 173.581 176.117 -0.151 0.000 1.019 735 I CA -3.108 58.160 61.300 -0.054 0.000 1.130 735 I CB 1.900 39.928 38.000 0.046 0.000 1.262 735 I HN -0.173 nan 8.210 nan 0.000 0.454 736 P HA -0.089 nan 4.420 nan 0.000 0.218 736 P C 0.973 178.178 177.300 -0.158 0.000 1.149 736 P CA 1.252 64.257 63.100 -0.159 0.000 0.817 736 P CB 0.240 31.879 31.700 -0.101 0.000 0.785 737 E N -0.770 119.375 120.200 -0.092 0.000 2.110 737 E HA -0.172 4.170 4.350 -0.014 0.000 0.193 737 E C 1.831 178.336 176.600 -0.158 0.000 0.988 737 E CA 0.803 57.167 56.400 -0.060 0.000 0.804 737 E CB -0.596 29.142 29.700 0.062 0.000 0.745 737 E HN 0.133 nan 8.360 nan 0.000 0.458 738 L N 1.166 122.206 121.223 -0.305 0.000 2.109 738 L HA -0.111 4.221 4.340 -0.014 0.000 0.207 738 L C 2.217 178.818 176.870 -0.449 0.000 1.086 738 L CA 1.496 55.988 54.840 -0.579 0.000 0.760 738 L CB -0.194 41.352 42.059 -0.856 0.000 0.910 738 L HN -0.073 nan 8.230 nan 0.000 0.437 739 R N -0.733 119.481 120.500 -0.478 0.000 2.094 739 R HA -0.257 4.074 4.340 -0.014 0.000 0.239 739 R C 2.314 178.457 176.300 -0.262 0.000 1.137 739 R CA 2.153 57.900 56.100 -0.588 0.000 0.943 739 R CB -0.468 29.437 30.300 -0.658 0.000 0.850 739 R HN 0.576 nan 8.270 nan 0.000 0.433 740 Q N 0.664 120.342 119.800 -0.203 0.000 2.061 740 Q HA -0.196 4.135 4.340 -0.014 0.000 0.204 740 Q C 2.091 178.042 176.000 -0.082 0.000 0.984 740 Q CA 1.736 57.463 55.803 -0.127 0.000 0.846 740 Q CB -0.121 28.543 28.738 -0.124 0.000 0.902 740 Q HN 0.381 nan 8.270 nan 0.000 0.421 741 I N 0.584 121.103 120.570 -0.085 0.000 2.142 741 I HA -0.300 3.861 4.170 -0.014 0.000 0.240 741 I C 2.174 178.317 176.117 0.044 0.000 1.078 741 I CA 0.744 62.034 61.300 -0.017 0.000 1.343 741 I CB -0.366 37.591 38.000 -0.073 0.000 1.046 741 I HN 0.305 nan 8.210 nan 0.000 0.405 742 I N 0.860 121.453 120.570 0.038 0.000 2.226 742 I HA -0.254 3.907 4.170 -0.014 0.000 0.245 742 I C 2.473 178.693 176.117 0.172 0.000 1.100 742 I CA 1.695 63.086 61.300 0.152 0.000 1.374 742 I CB -1.332 36.844 38.000 0.294 0.000 1.057 742 I HN 0.351 nan 8.210 nan 0.000 0.413 743 E N 0.327 120.610 120.200 0.138 0.000 2.077 743 E HA -0.235 4.106 4.350 -0.014 0.000 0.193 743 E C 2.193 178.861 176.600 0.113 0.000 0.989 743 E CA 0.974 57.446 56.400 0.120 0.000 0.800 743 E CB -0.130 29.611 29.700 0.068 0.000 0.746 743 E HN 0.570 nan 8.360 nan 0.000 0.452 744 Q N 0.447 120.297 119.800 0.083 0.000 2.096 744 Q HA -0.158 4.173 4.340 -0.014 0.000 0.204 744 Q C 2.351 178.550 176.000 0.332 0.000 0.982 744 Q CA 1.099 56.974 55.803 0.119 0.000 0.850 744 Q CB -0.085 28.648 28.738 -0.008 0.000 0.901 744 Q HN 0.306 nan 8.270 nan 0.000 0.422 745 L N -0.094 121.327 121.223 0.330 0.000 2.017 745 L HA -0.193 4.138 4.340 -0.014 0.000 0.208 745 L C 2.469 179.531 176.870 0.319 0.000 1.073 745 L CA 1.030 56.081 54.840 0.352 0.000 0.745 745 L CB -0.388 41.787 42.059 0.194 0.000 0.894 745 L HN 0.154 nan 8.230 nan 0.000 0.432 746 S N -0.210 115.628 115.700 0.230 0.000 2.368 746 S HA -0.159 4.302 4.470 -0.014 0.000 0.225 746 S C 2.087 176.791 174.600 0.172 0.000 1.030 746 S CA 1.578 59.891 58.200 0.187 0.000 0.999 746 S CB -0.264 63.025 63.200 0.148 0.000 0.844 746 S HN 0.604 nan 8.310 nan 0.000 0.459 747 S N 0.481 116.285 115.700 0.173 0.000 2.522 747 S HA 0.295 4.757 4.470 -0.014 0.000 0.227 747 S C 1.417 176.108 174.600 0.152 0.000 0.986 747 S CA 0.697 58.984 58.200 0.144 0.000 0.929 747 S CB -0.169 63.109 63.200 0.130 0.000 0.769 747 S HN 0.873 nan 8.310 nan 0.000 0.529 748 G N 0.595 109.519 108.800 0.207 0.000 2.140 748 G HA2 -0.264 3.687 3.960 -0.014 0.000 0.211 748 G HA3 -0.264 3.687 3.960 -0.014 0.000 0.211 748 G C 0.110 175.107 174.900 0.161 0.000 1.013 748 G CA 0.086 45.296 45.100 0.184 0.000 0.705 748 G HN 0.501 nan 8.290 nan 0.000 0.508 749 F N 0.175 120.140 119.950 0.023 0.000 2.171 749 F HA 0.211 4.730 4.527 -0.015 0.000 0.300 749 F C 1.887 177.501 175.800 -0.311 0.000 1.090 749 F CA 1.857 59.745 58.000 -0.188 0.000 1.293 749 F CB -0.020 38.785 39.000 -0.326 0.000 1.013 749 F HN 0.177 nan 8.300 nan 0.000 0.486 750 F N -0.206 119.884 119.950 0.234 0.000 2.693 750 F HA 0.202 4.720 4.527 -0.014 0.000 0.303 750 F C 0.543 176.459 175.800 0.192 0.000 1.097 750 F CA 0.213 58.306 58.000 0.155 0.000 1.330 750 F CB -0.132 38.973 39.000 0.175 0.000 1.067 750 F HN -0.038 nan 8.300 nan 0.000 0.565 751 S N -1.843 114.001 115.700 0.239 0.000 2.488 751 S HA 0.304 4.765 4.470 -0.014 0.000 0.151 751 S C -2.512 172.099 174.600 0.019 0.000 1.401 751 S CA -0.994 57.264 58.200 0.097 0.000 1.221 751 S CB 0.966 64.164 63.200 -0.005 0.000 1.407 751 S HN -0.185 nan 8.310 nan 0.000 0.406 752 P HA -0.009 nan 4.420 nan 0.000 0.218 752 P C 0.935 178.220 177.300 -0.025 0.000 1.149 752 P CA 1.097 64.170 63.100 -0.045 0.000 0.817 752 P CB 0.099 31.746 31.700 -0.088 0.000 0.785 753 K N -1.313 119.073 120.400 -0.023 0.000 2.379 753 K HA 0.086 4.397 4.320 -0.014 0.000 0.194 753 K C 0.578 177.171 176.600 -0.012 0.000 1.031 753 K CA 0.527 56.804 56.287 -0.016 0.000 1.037 753 K CB 0.227 32.718 32.500 -0.015 0.000 0.824 753 K HN 0.235 nan 8.250 nan 0.000 0.516 754 Q N -0.033 119.756 119.800 -0.019 0.000 2.932 754 Q HA 0.158 4.489 4.340 -0.014 0.000 0.248 754 Q C -2.381 173.602 176.000 -0.030 0.000 0.982 754 Q CA -1.664 54.122 55.803 -0.027 0.000 0.730 754 Q CB 1.553 30.265 28.738 -0.042 0.000 1.249 754 Q HN -0.090 nan 8.270 nan 0.000 0.476 755 P HA -0.204 nan 4.420 nan 0.000 0.219 755 P C 0.573 177.901 177.300 0.046 0.000 1.146 755 P CA 1.388 64.509 63.100 0.035 0.000 0.808 755 P CB 0.234 31.957 31.700 0.039 0.000 0.779 756 D N -1.425 118.986 120.400 0.019 0.000 2.368 756 D HA 0.008 4.639 4.640 -0.014 0.000 0.218 756 D C 1.578 177.871 176.300 -0.012 0.000 1.112 756 D CA -0.284 53.736 54.000 0.034 0.000 0.834 756 D CB -0.658 40.166 40.800 0.040 0.000 0.953 756 D HN 0.018 nan 8.370 nan 0.000 0.505 757 L N 0.013 121.157 121.223 -0.132 0.000 2.043 757 L HA -0.083 4.248 4.340 -0.014 0.000 0.212 757 L C 1.179 177.848 176.870 -0.335 0.000 1.075 757 L CA 1.718 56.367 54.840 -0.319 0.000 0.752 757 L CB -0.599 41.075 42.059 -0.642 0.000 0.891 757 L HN -0.009 nan 8.230 nan 0.000 0.432 758 F N -0.600 119.410 119.950 0.099 0.000 2.668 758 F HA 0.131 4.650 4.527 -0.014 0.000 0.297 758 F C 1.864 177.717 175.800 0.089 0.000 1.124 758 F CA -0.118 57.930 58.000 0.080 0.000 1.353 758 F CB -0.356 38.677 39.000 0.055 0.000 0.992 758 F HN 0.107 nan 8.300 nan 0.000 0.524 759 K N -0.206 120.312 120.400 0.197 0.000 2.063 759 K HA -0.212 4.100 4.320 -0.014 0.000 0.208 759 K C 1.009 177.712 176.600 0.170 0.000 1.048 759 K CA 2.113 58.498 56.287 0.163 0.000 0.928 759 K CB -0.310 32.262 32.500 0.120 0.000 0.713 759 K HN 0.070 nan 8.250 nan 0.000 0.442 760 D N 1.199 121.716 120.400 0.195 0.000 2.117 760 D HA -0.096 4.536 4.640 -0.014 0.000 0.197 760 D C 2.057 178.459 176.300 0.169 0.000 0.987 760 D CA 1.219 55.347 54.000 0.213 0.000 0.829 760 D CB -0.152 40.825 40.800 0.294 0.000 0.961 760 D HN 0.316 nan 8.370 nan 0.000 0.460 761 I N 0.393 121.063 120.570 0.167 0.000 2.179 761 I HA -0.228 3.933 4.170 -0.014 0.000 0.242 761 I C 2.438 178.582 176.117 0.044 0.000 1.088 761 I CA 0.637 61.993 61.300 0.094 0.000 1.357 761 I CB -0.269 37.785 38.000 0.089 0.000 1.051 761 I HN -0.108 nan 8.210 nan 0.000 0.409 762 V N 1.258 121.225 119.914 0.088 0.000 2.287 762 V HA -0.311 3.800 4.120 -0.014 0.000 0.248 762 V C 2.270 178.357 176.094 -0.013 0.000 1.053 762 V CA 2.412 64.750 62.300 0.062 0.000 1.027 762 V CB -0.998 30.889 31.823 0.107 0.000 0.646 762 V HN 0.487 nan 8.190 nan 0.000 0.447 763 N N -0.036 118.689 118.700 0.041 0.000 2.069 763 N HA -0.220 4.511 4.740 -0.014 0.000 0.191 763 N C 1.863 177.299 175.510 -0.122 0.000 1.031 763 N CA 1.998 55.095 53.050 0.077 0.000 0.852 763 N CB -0.333 38.273 38.487 0.198 0.000 1.018 763 N HN 0.333 nan 8.380 nan 0.000 0.423 764 M N -0.187 119.255 119.600 -0.263 0.000 2.080 764 M HA -0.124 4.347 4.480 -0.014 0.000 0.260 764 M C 1.477 177.492 176.300 -0.475 0.000 1.068 764 M CA 1.331 56.199 55.300 -0.721 0.000 1.109 764 M CB -0.699 31.700 32.600 -0.335 0.000 1.342 764 M HN 0.213 nan 8.290 nan 0.000 0.405 765 L N 0.677 121.710 121.223 -0.317 0.000 2.012 765 L HA -0.223 4.108 4.340 -0.014 0.000 0.210 765 L C 2.486 179.012 176.870 -0.575 0.000 1.073 765 L CA 1.710 56.282 54.840 -0.446 0.000 0.748 765 L CB -1.208 40.655 42.059 -0.326 0.000 0.891 765 L HN 0.353 nan 8.230 nan 0.000 0.431 766 M N -1.947 117.385 119.600 -0.447 0.000 2.288 766 M HA -0.082 4.389 4.480 -0.014 0.000 0.266 766 M C 1.868 177.793 176.300 -0.625 0.000 1.072 766 M CA 1.449 56.407 55.300 -0.570 0.000 1.132 766 M CB -0.794 31.338 32.600 -0.780 0.000 1.386 766 M HN 0.341 nan 8.290 nan 0.000 0.432 767 H N -2.212 116.791 119.070 -0.112 0.000 2.926 767 H HA 0.182 4.730 4.556 -0.014 0.000 0.249 767 H C 0.249 175.620 175.328 0.072 0.000 0.963 767 H CA 0.713 56.756 56.048 -0.008 0.000 1.158 767 H CB 0.151 29.952 29.762 0.066 0.000 1.445 767 H HN 0.568 nan 8.280 nan 0.000 0.452 768 H N -1.138 117.996 119.070 0.107 0.000 2.716 768 H HA 0.302 4.850 4.556 -0.014 0.000 0.230 768 H C -1.084 174.269 175.328 0.041 0.000 1.401 768 H CA -0.613 55.482 56.048 0.078 0.000 1.168 768 H CB 0.043 29.852 29.762 0.078 0.000 1.935 768 H HN -0.133 nan 8.280 nan 0.000 0.538 769 D N 1.421 121.812 120.400 -0.014 0.000 2.422 769 D HA 0.116 4.747 4.640 -0.014 0.000 0.227 769 D C 0.873 177.095 176.300 -0.130 0.000 1.190 769 D CA -0.407 53.559 54.000 -0.057 0.000 0.905 769 D CB 0.669 41.412 40.800 -0.096 0.000 1.034 769 D HN 0.474 nan 8.370 nan 0.000 0.507 770 R N 2.217 122.556 120.500 -0.269 0.000 2.241 770 R HA -0.062 4.269 4.340 -0.014 0.000 0.224 770 R C 0.561 176.359 176.300 -0.836 0.000 1.101 770 R CA 0.910 56.638 56.100 -0.621 0.000 0.995 770 R CB 0.084 29.812 30.300 -0.954 0.000 0.870 770 R HN 0.414 nan 8.270 nan 0.000 0.463 771 F N 0.123 120.011 119.950 -0.104 0.000 2.661 771 F HA 0.269 4.787 4.527 -0.014 0.000 0.306 771 F C 0.070 175.734 175.800 -0.227 0.000 1.094 771 F CA -0.685 57.246 58.000 -0.114 0.000 1.254 771 F CB 0.271 39.267 39.000 -0.008 0.000 1.040 771 F HN -0.250 nan 8.300 nan 0.000 0.562 772 K N -0.346 119.840 120.400 -0.357 0.000 3.148 772 K HA -0.177 4.134 4.320 -0.014 0.000 0.267 772 K C 0.994 177.464 176.600 -0.216 0.000 0.996 772 K CA 0.212 56.107 56.287 -0.652 0.000 0.737 772 K CB -1.891 30.185 32.500 -0.706 0.000 1.308 772 K HN 0.205 nan 8.250 nan 0.000 0.470 773 V N 0.022 119.884 119.914 -0.086 0.000 2.252 773 V HA -0.301 3.810 4.120 -0.014 0.000 0.249 773 V C 1.967 178.200 176.094 0.230 0.000 1.056 773 V CA 2.398 64.734 62.300 0.061 0.000 1.022 773 V CB -0.505 31.354 31.823 0.060 0.000 0.641 773 V HN 0.494 nan 8.190 nan 0.000 0.445 774 F N 0.179 120.129 119.950 0.001 0.000 2.171 774 F HA -0.190 4.328 4.527 -0.015 0.000 0.300 774 F C 2.533 178.129 175.800 -0.340 0.000 1.090 774 F CA 0.661 58.611 58.000 -0.084 0.000 1.293 774 F CB -0.401 38.564 39.000 -0.058 0.000 1.013 774 F HN 0.202 nan 8.300 nan 0.000 0.486 775 A N -0.446 122.206 122.820 -0.281 0.000 2.019 775 A HA -0.199 4.113 4.320 -0.014 0.000 0.219 775 A C 1.477 179.055 177.584 -0.010 0.000 1.164 775 A CA 1.916 53.700 52.037 -0.423 0.000 0.644 775 A CB -0.462 18.453 19.000 -0.142 0.000 0.805 775 A HN 0.233 nan 8.150 nan 0.000 0.449 776 D N -2.850 117.606 120.400 0.093 0.000 2.369 776 D HA 0.086 4.718 4.640 -0.014 0.000 0.211 776 D C 1.187 177.650 176.300 0.272 0.000 1.077 776 D CA -0.009 54.122 54.000 0.219 0.000 0.842 776 D CB -0.129 40.817 40.800 0.243 0.000 0.947 776 D HN 0.593 nan 8.370 nan 0.000 0.509 777 Y N 2.068 122.449 120.300 0.135 0.000 2.097 777 Y HA -0.217 4.324 4.550 -0.014 0.000 0.282 777 Y C 2.048 178.029 175.900 0.135 0.000 1.152 777 Y CA 1.878 60.066 58.100 0.148 0.000 1.136 777 Y CB 0.192 38.709 38.460 0.093 0.000 0.975 777 Y HN -0.104 nan 8.280 nan 0.000 0.498 778 E N -0.077 120.176 120.200 0.088 0.000 2.051 778 E HA -0.244 4.097 4.350 -0.014 0.000 0.192 778 E C 2.215 178.775 176.600 -0.067 0.000 0.991 778 E CA 1.434 57.815 56.400 -0.032 0.000 0.799 778 E CB -0.190 29.599 29.700 0.149 0.000 0.748 778 E HN 0.616 nan 8.360 nan 0.000 0.449 779 E N -0.221 120.017 120.200 0.063 0.000 2.150 779 E HA -0.196 4.145 4.350 -0.014 0.000 0.193 779 E C 1.902 178.491 176.600 -0.019 0.000 0.985 779 E CA 0.641 57.100 56.400 0.098 0.000 0.814 779 E CB -0.055 29.792 29.700 0.245 0.000 0.752 779 E HN 0.229 nan 8.360 nan 0.000 0.466 780 Y N 0.883 120.987 120.300 -0.326 0.000 2.114 780 Y HA -0.228 4.313 4.550 -0.015 0.000 0.284 780 Y C 2.071 177.570 175.900 -0.669 0.000 1.143 780 Y CA 1.158 58.734 58.100 -0.872 0.000 1.135 780 Y CB -0.558 37.431 38.460 -0.784 0.000 0.980 780 Y HN -0.177 nan 8.280 nan 0.000 0.499 781 V N 0.440 119.980 119.914 -0.625 0.000 2.343 781 V HA -0.310 3.802 4.120 -0.014 0.000 0.247 781 V C 2.372 178.225 176.094 -0.401 0.000 1.051 781 V CA 2.327 64.276 62.300 -0.585 0.000 1.036 781 V CB -0.677 30.827 31.823 -0.533 0.000 0.654 781 V HN 0.239 nan 8.190 nan 0.000 0.451 782 K N -0.664 119.569 120.400 -0.278 0.000 2.032 782 K HA -0.219 4.092 4.320 -0.014 0.000 0.209 782 K C 2.294 178.801 176.600 -0.155 0.000 1.048 782 K CA 1.954 58.148 56.287 -0.155 0.000 0.927 782 K CB -0.761 31.697 32.500 -0.070 0.000 0.712 782 K HN 0.556 nan 8.250 nan 0.000 0.441 783 C N 0.867 120.049 119.300 -0.197 0.000 2.429 783 C HA -0.090 4.361 4.460 -0.014 0.000 0.277 783 C C 2.526 177.340 174.990 -0.294 0.000 1.262 783 C CA 0.759 59.694 59.018 -0.138 0.000 1.733 783 C CB -0.729 26.956 27.740 -0.091 0.000 2.010 783 C HN 0.478 nan 8.230 nan 0.000 0.483 784 Q N 0.516 119.989 119.800 -0.546 0.000 2.181 784 Q HA -0.185 4.147 4.340 -0.014 0.000 0.205 784 Q C 1.994 177.789 176.000 -0.341 0.000 0.980 784 Q CA 1.733 57.166 55.803 -0.617 0.000 0.862 784 Q CB -0.436 27.665 28.738 -1.062 0.000 0.905 784 Q HN 0.763 nan 8.270 nan 0.000 0.429 785 E N 0.204 120.266 120.200 -0.230 0.000 2.077 785 E HA -0.150 4.191 4.350 -0.014 0.000 0.193 785 E C 2.083 178.644 176.600 -0.065 0.000 0.989 785 E CA 0.661 56.991 56.400 -0.117 0.000 0.800 785 E CB -0.051 29.599 29.700 -0.082 0.000 0.746 785 E HN 0.284 nan 8.360 nan 0.000 0.452 786 R N 0.487 120.961 120.500 -0.042 0.000 2.115 786 R HA -0.079 4.252 4.340 -0.014 0.000 0.230 786 R C 2.427 178.770 176.300 0.072 0.000 1.111 786 R CA 0.854 57.007 56.100 0.087 0.000 0.976 786 R CB -0.349 30.076 30.300 0.208 0.000 0.870 786 R HN 0.065 nan 8.270 nan 0.000 0.445 787 V N 0.754 120.488 119.914 -0.299 0.000 2.261 787 V HA -0.255 3.856 4.120 -0.014 0.000 0.246 787 V C 2.228 178.301 176.094 -0.035 0.000 1.047 787 V CA 2.032 64.023 62.300 -0.516 0.000 1.015 787 V CB -0.409 30.985 31.823 -0.715 0.000 0.642 787 V HN 0.285 nan 8.190 nan 0.000 0.446 788 S N 0.052 115.701 115.700 -0.084 0.000 2.368 788 S HA -0.188 4.274 4.470 -0.014 0.000 0.225 788 S C 2.224 176.879 174.600 0.092 0.000 1.030 788 S CA 1.417 59.602 58.200 -0.025 0.000 0.999 788 S CB -0.552 62.606 63.200 -0.071 0.000 0.844 788 S HN 0.655 nan 8.310 nan 0.000 0.459 789 A N 1.546 124.426 122.820 0.100 0.000 1.883 789 A HA -0.066 4.245 4.320 -0.014 0.000 0.217 789 A C 2.113 179.818 177.584 0.202 0.000 1.186 789 A CA 1.269 53.389 52.037 0.138 0.000 0.624 789 A CB -0.815 18.258 19.000 0.122 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.444 790 L N -2.110 119.297 121.223 0.308 0.000 2.093 790 L HA -0.155 4.177 4.340 -0.014 0.000 0.208 790 L C 2.467 179.617 176.870 0.466 0.000 1.085 790 L CA 1.839 56.936 54.840 0.428 0.000 0.755 790 L CB -0.443 41.995 42.059 0.632 0.000 0.904 790 L HN 0.614 nan 8.230 nan 0.000 0.435 791 Y N 0.975 121.404 120.300 0.215 0.000 2.352 791 Y HA -0.239 4.303 4.550 -0.013 0.000 0.292 791 Y C 2.367 178.204 175.900 -0.105 0.000 1.136 791 Y CA 1.485 59.455 58.100 -0.216 0.000 1.227 791 Y CB -0.034 38.065 38.460 -0.602 0.000 0.991 791 Y HN 0.074 nan 8.280 nan 0.000 0.545 792 K N -0.142 120.311 120.400 0.088 0.000 2.362 792 K HA -0.135 4.176 4.320 -0.014 0.000 0.200 792 K C 0.361 176.957 176.600 -0.007 0.000 1.046 792 K CA 0.788 57.108 56.287 0.056 0.000 0.952 792 K CB -0.087 32.487 32.500 0.123 0.000 0.753 792 K HN 0.042 nan 8.250 nan 0.000 0.466 793 N N 0.434 119.144 118.700 0.018 0.000 2.898 793 N HA 0.141 4.872 4.740 -0.014 0.000 0.245 793 N C -2.452 173.067 175.510 0.015 0.000 1.185 793 N CA -2.250 50.813 53.050 0.023 0.000 0.879 793 N CB 1.203 39.734 38.487 0.073 0.000 1.157 793 N HN -0.195 nan 8.380 nan 0.000 0.503 794 P HA -0.135 nan 4.420 nan 0.000 0.216 794 P C 1.375 178.688 177.300 0.021 0.000 1.150 794 P CA 0.976 64.006 63.100 -0.116 0.000 0.837 794 P CB 0.432 32.030 31.700 -0.170 0.000 0.786 795 R N 0.133 120.645 120.500 0.021 0.000 2.066 795 R HA -0.137 4.194 4.340 -0.014 0.000 0.232 795 R C 1.914 178.258 176.300 0.072 0.000 1.131 795 R CA 1.367 57.490 56.100 0.039 0.000 0.955 795 R CB -0.336 29.978 30.300 0.023 0.000 0.851 795 R HN 0.072 nan 8.270 nan 0.000 0.432 796 E N -0.034 120.220 120.200 0.090 0.000 2.152 796 E HA -0.209 4.133 4.350 -0.014 0.000 0.192 796 E C 1.596 178.277 176.600 0.135 0.000 0.983 796 E CA 0.569 57.026 56.400 0.095 0.000 0.818 796 E CB -0.426 29.328 29.700 0.089 0.000 0.758 796 E HN 0.500 nan 8.360 nan 0.000 0.467 797 W N 2.229 123.534 121.300 0.008 0.000 2.317 797 W HA -0.224 4.426 4.660 -0.016 0.000 0.318 797 W C 1.699 178.232 176.519 0.023 0.000 1.227 797 W CA 2.263 59.630 57.345 0.036 0.000 1.269 797 W CB -0.496 28.958 29.460 -0.011 0.000 1.155 797 W HN 0.040 nan 8.180 nan 0.000 0.484 798 T N 1.121 115.816 114.554 0.236 0.000 2.788 798 T HA -0.185 4.156 4.350 -0.014 0.000 0.268 798 T C 1.868 176.579 174.700 0.019 0.000 1.044 798 T CA 1.778 63.945 62.100 0.111 0.000 1.139 798 T CB -0.341 68.578 68.868 0.084 0.000 0.867 798 T HN 0.180 nan 8.240 nan 0.000 0.454 799 R N 0.422 120.940 120.500 0.030 0.000 2.081 799 R HA 0.037 4.369 4.340 -0.014 0.000 0.235 799 R C 2.527 178.819 176.300 -0.013 0.000 1.131 799 R CA 1.371 57.486 56.100 0.026 0.000 0.960 799 R CB -0.361 29.959 30.300 0.034 0.000 0.856 799 R HN 0.371 nan 8.270 nan 0.000 0.436 800 M N 0.472 120.028 119.600 -0.072 0.000 2.175 800 M HA -0.143 4.328 4.480 -0.014 0.000 0.264 800 M C 1.966 178.175 176.300 -0.150 0.000 1.063 800 M CA 1.363 56.582 55.300 -0.135 0.000 1.119 800 M CB 0.159 32.622 32.600 -0.229 0.000 1.377 800 M HN -0.011 nan 8.290 nan 0.000 0.415 801 V N 0.947 120.749 119.914 -0.186 0.000 2.287 801 V HA -0.322 3.789 4.120 -0.014 0.000 0.248 801 V C 2.206 178.284 176.094 -0.027 0.000 1.053 801 V CA 2.114 64.338 62.300 -0.127 0.000 1.027 801 V CB -0.619 31.150 31.823 -0.090 0.000 0.646 801 V HN 0.510 nan 8.190 nan 0.000 0.447 802 I N -0.673 119.903 120.570 0.009 0.000 2.264 802 I HA -0.265 3.896 4.170 -0.014 0.000 0.248 802 I C 2.705 178.874 176.117 0.087 0.000 1.111 802 I CA 1.598 62.954 61.300 0.093 0.000 1.382 802 I CB -0.428 37.684 38.000 0.187 0.000 1.060 802 I HN 0.194 nan 8.210 nan 0.000 0.418 803 R N 0.449 120.977 120.500 0.046 0.000 2.120 803 R HA -0.117 4.214 4.340 -0.014 0.000 0.234 803 R C 2.072 178.400 176.300 0.047 0.000 1.123 803 R CA 1.184 57.308 56.100 0.039 0.000 0.975 803 R CB -0.368 29.939 30.300 0.012 0.000 0.866 803 R HN 0.531 nan 8.270 nan 0.000 0.446 804 N N 0.603 119.325 118.700 0.036 0.000 2.080 804 N HA -0.111 4.621 4.740 -0.014 0.000 0.189 804 N C 1.970 177.534 175.510 0.091 0.000 1.036 804 N CA 1.201 54.293 53.050 0.069 0.000 0.846 804 N CB -0.082 38.425 38.487 0.033 0.000 1.015 804 N HN 0.126 nan 8.380 nan 0.000 0.423 805 I N 1.660 122.275 120.570 0.074 0.000 2.194 805 I HA -0.260 3.901 4.170 -0.014 0.000 0.246 805 I C 2.457 178.622 176.117 0.080 0.000 1.093 805 I CA 1.032 62.380 61.300 0.081 0.000 1.355 805 I CB -0.360 37.683 38.000 0.071 0.000 1.046 805 I HN 0.106 nan 8.210 nan 0.000 0.413 806 A N 0.286 123.152 122.820 0.077 0.000 2.070 806 A HA -0.160 4.151 4.320 -0.014 0.000 0.220 806 A C 2.086 179.703 177.584 0.055 0.000 1.159 806 A CA 2.046 54.118 52.037 0.058 0.000 0.656 806 A CB -0.842 18.196 19.000 0.064 0.000 0.800 806 A HN 0.550 nan 8.150 nan 0.000 0.453 807 T N -3.027 111.575 114.554 0.079 0.000 3.129 807 T HA 0.174 4.516 4.350 -0.014 0.000 0.267 807 T C 1.203 175.988 174.700 0.141 0.000 1.018 807 T CA 0.646 62.795 62.100 0.082 0.000 0.903 807 T CB -0.146 68.771 68.868 0.082 0.000 1.067 807 T HN 0.489 nan 8.240 nan 0.000 0.549 808 S N 0.273 116.075 115.700 0.170 0.000 2.558 808 S HA 0.238 4.700 4.470 -0.014 0.000 0.217 808 S C 2.221 176.945 174.600 0.206 0.000 0.975 808 S CA 0.319 58.697 58.200 0.296 0.000 0.912 808 S CB -0.687 62.657 63.200 0.239 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.526 809 G N 2.713 111.554 108.800 0.068 0.000 2.469 809 G HA2 -0.310 3.641 3.960 -0.014 0.000 0.219 809 G HA3 -0.310 3.641 3.960 -0.014 0.000 0.219 809 G C 1.324 176.164 174.900 -0.100 0.000 1.150 809 G CA 1.093 46.198 45.100 0.009 0.000 0.763 809 G HN 0.615 nan 8.290 nan 0.000 0.561 810 K N -0.167 120.045 120.400 -0.314 0.000 2.218 810 K HA -0.066 4.245 4.320 -0.014 0.000 0.205 810 K C 1.297 177.563 176.600 -0.556 0.000 1.046 810 K CA 0.941 56.898 56.287 -0.550 0.000 0.933 810 K CB -0.281 31.685 32.500 -0.891 0.000 0.728 810 K HN 0.428 nan 8.250 nan 0.000 0.454 811 F N 0.731 120.710 119.950 0.048 0.000 2.645 811 F HA 0.148 4.665 4.527 -0.015 0.000 0.300 811 F C 0.740 176.585 175.800 0.074 0.000 1.115 811 F CA -0.655 57.380 58.000 0.058 0.000 1.355 811 F CB 0.494 39.524 39.000 0.050 0.000 1.026 811 F HN -0.122 nan 8.300 nan 0.000 0.536 812 S N 0.419 116.204 115.700 0.141 0.000 2.528 812 S HA 0.052 4.514 4.470 -0.014 0.000 0.277 812 S C 1.462 176.148 174.600 0.143 0.000 1.297 812 S CA -0.162 58.117 58.200 0.132 0.000 1.052 812 S CB 0.779 64.026 63.200 0.078 0.000 0.917 812 S HN 0.367 nan 8.310 nan 0.000 0.492 813 S N 3.390 119.202 115.700 0.186 0.000 2.507 813 S HA -0.091 4.371 4.470 -0.014 0.000 0.235 813 S C 0.974 175.641 174.600 0.112 0.000 0.988 813 S CA 0.788 59.126 58.200 0.230 0.000 0.944 813 S CB -0.365 63.049 63.200 0.357 0.000 0.762 813 S HN 0.796 nan 8.310 nan 0.000 0.526 814 D N 1.911 122.356 120.400 0.076 0.000 2.117 814 D HA -0.090 4.542 4.640 -0.014 0.000 0.197 814 D C 2.096 178.405 176.300 0.016 0.000 0.987 814 D CA 0.822 54.843 54.000 0.035 0.000 0.829 814 D CB -0.349 40.467 40.800 0.027 0.000 0.961 814 D HN 0.291 nan 8.370 nan 0.000 0.460 815 R N 0.775 121.286 120.500 0.018 0.000 2.073 815 R HA -0.092 4.239 4.340 -0.014 0.000 0.234 815 R C 1.914 178.208 176.300 -0.010 0.000 1.134 815 R CA 1.440 57.535 56.100 -0.009 0.000 0.952 815 R CB -0.777 29.503 30.300 -0.032 0.000 0.850 815 R HN 0.139 nan 8.270 nan 0.000 0.433 816 T N 2.133 116.707 114.554 0.034 0.000 2.652 816 T HA -0.127 4.214 4.350 -0.014 0.000 0.267 816 T C 1.924 176.628 174.700 0.007 0.000 1.039 816 T CA 1.395 63.531 62.100 0.061 0.000 1.153 816 T CB -0.124 68.873 68.868 0.214 0.000 0.863 816 T HN 0.109 nan 8.240 nan 0.000 0.428 817 I N 1.616 122.124 120.570 -0.103 0.000 2.315 817 I HA -0.060 4.102 4.170 -0.014 0.000 0.248 817 I C 2.921 178.998 176.117 -0.067 0.000 1.117 817 I CA 0.855 62.058 61.300 -0.162 0.000 1.404 817 I CB -1.622 36.281 38.000 -0.160 0.000 1.071 817 I HN 0.194 nan 8.210 nan 0.000 0.419 818 A N 0.294 123.092 122.820 -0.037 0.000 1.940 818 A HA -0.244 4.068 4.320 -0.014 0.000 0.219 818 A C 2.254 179.792 177.584 -0.075 0.000 1.176 818 A CA 1.509 53.529 52.037 -0.028 0.000 0.631 818 A CB -0.556 18.433 19.000 -0.018 0.000 0.814 818 A HN 0.510 nan 8.150 nan 0.000 0.446 819 Q N -1.863 117.870 119.800 -0.111 0.000 2.079 819 Q HA -0.162 4.169 4.340 -0.014 0.000 0.200 819 Q C 1.958 177.775 176.000 -0.305 0.000 0.974 819 Q CA 1.619 57.314 55.803 -0.180 0.000 0.840 819 Q CB -0.329 28.295 28.738 -0.190 0.000 0.898 819 Q HN 0.808 nan 8.270 nan 0.000 0.430 820 Y N 0.707 120.710 120.300 -0.495 0.000 2.114 820 Y HA -0.313 4.229 4.550 -0.015 0.000 0.282 820 Y C 2.492 177.798 175.900 -0.989 0.000 1.165 820 Y CA 1.370 58.908 58.100 -0.937 0.000 1.148 820 Y CB -0.505 37.061 38.460 -1.490 0.000 0.972 820 Y HN 0.168 nan 8.280 nan 0.000 0.504 821 A N 0.214 122.793 122.820 -0.401 0.000 1.883 821 A HA -0.228 4.084 4.320 -0.014 0.000 0.217 821 A C 2.246 179.846 177.584 0.025 0.000 1.186 821 A CA 2.093 54.155 52.037 0.042 0.000 0.624 821 A CB -0.561 18.541 19.000 0.170 0.000 0.822 821 A HN 0.440 nan 8.150 nan 0.000 0.444 822 R N -0.770 119.703 120.500 -0.045 0.000 2.093 822 R HA -0.006 4.325 4.340 -0.014 0.000 0.224 822 R C 1.768 178.045 176.300 -0.039 0.000 1.101 822 R CA 1.395 57.482 56.100 -0.022 0.000 0.979 822 R CB -0.140 30.142 30.300 -0.030 0.000 0.877 822 R HN 0.655 nan 8.270 nan 0.000 0.441 823 E N -0.494 119.642 120.200 -0.108 0.000 2.415 823 E HA 0.101 4.443 4.350 -0.014 0.000 0.197 823 E C 1.362 177.916 176.600 -0.076 0.000 1.007 823 E CA 0.417 56.759 56.400 -0.097 0.000 0.890 823 E CB 0.575 30.188 29.700 -0.144 0.000 0.891 823 E HN 0.285 nan 8.360 nan 0.000 0.496 824 I N -1.180 119.314 120.570 -0.125 0.000 3.739 824 I HA 0.024 4.185 4.170 -0.014 0.000 0.272 824 I C 1.252 177.521 176.117 0.254 0.000 1.167 824 I CA -0.082 61.216 61.300 -0.003 0.000 1.386 824 I CB 0.290 38.150 38.000 -0.232 0.000 1.490 824 I HN 0.104 nan 8.210 nan 0.000 0.452 825 W N 1.557 122.955 121.300 0.163 0.000 2.770 825 W HA 0.338 4.989 4.660 -0.014 0.000 0.256 825 W C 1.461 178.016 176.519 0.059 0.000 1.291 825 W CA 0.735 58.155 57.345 0.124 0.000 1.396 825 W CB -1.094 28.426 29.460 0.100 0.000 1.114 825 W HN 0.308 nan 8.180 nan 0.000 0.637 826 G N 1.342 110.279 108.800 0.229 0.000 2.272 826 G HA2 -0.099 3.852 3.960 -0.014 0.000 0.280 826 G HA3 -0.099 3.852 3.960 -0.014 0.000 0.280 826 G C -0.321 174.651 174.900 0.120 0.000 1.067 826 G CA 0.290 45.466 45.100 0.126 0.000 0.902 826 G HN 0.424 nan 8.290 nan 0.000 0.500 827 V N -4.285 115.720 119.914 0.152 0.000 2.925 827 V HA 0.894 5.005 4.120 -0.014 0.000 0.311 827 V C -0.383 175.772 176.094 0.101 0.000 1.104 827 V CA -1.696 60.675 62.300 0.118 0.000 0.954 827 V CB 2.356 34.258 31.823 0.131 0.000 1.022 827 V HN 0.136 nan 8.190 nan 0.000 0.427 828 E N 3.914 124.155 120.200 0.070 0.000 2.146 828 E HA 0.497 4.838 4.350 -0.014 0.000 0.282 828 E C -2.493 174.144 176.600 0.062 0.000 0.989 828 E CA -1.727 54.707 56.400 0.057 0.000 0.799 828 E CB 1.789 31.515 29.700 0.042 0.000 1.088 828 E HN 0.735 nan 8.360 nan 0.000 0.397 829 P HA 0.058 nan 4.420 nan 0.000 0.270 829 P C -0.466 176.864 177.300 0.050 0.000 1.223 829 P CA -0.246 62.889 63.100 0.059 0.000 0.785 829 P CB 0.855 32.586 31.700 0.051 0.000 0.923 830 S N 0.812 116.544 115.700 0.052 0.000 2.575 830 S HA 0.318 4.780 4.470 -0.014 0.000 0.278 830 S C 0.461 175.087 174.600 0.044 0.000 1.139 830 S CA -0.742 57.486 58.200 0.048 0.000 0.954 830 S CB 0.994 64.230 63.200 0.059 0.000 1.054 830 S HN 0.272 nan 8.310 nan 0.000 0.483 831 R N 2.265 122.786 120.500 0.035 0.000 2.317 831 R HA 0.189 4.520 4.340 -0.014 0.000 0.208 831 R C 0.004 176.316 176.300 0.020 0.000 0.914 831 R CA 0.090 56.209 56.100 0.032 0.000 1.060 831 R CB 0.086 30.406 30.300 0.033 0.000 1.015 831 R HN 0.686 nan 8.270 nan 0.000 0.498 832 Q N 1.050 120.861 119.800 0.019 0.000 2.311 832 Q HA 0.080 4.411 4.340 -0.014 0.000 0.272 832 Q C -0.303 175.690 176.000 -0.011 0.000 1.012 832 Q CA 0.178 55.984 55.803 0.005 0.000 0.891 832 Q CB 0.788 29.533 28.738 0.011 0.000 1.201 832 Q HN -0.192 nan 8.270 nan 0.000 0.391 833 R N 1.579 122.063 120.500 -0.028 0.000 2.590 833 R HA 0.169 4.500 4.340 -0.014 0.000 0.274 833 R C -0.406 175.851 176.300 -0.072 0.000 1.061 833 R CA 0.056 56.127 56.100 -0.049 0.000 1.081 833 R CB 0.312 30.580 30.300 -0.053 0.000 0.984 833 R HN 0.505 nan 8.270 nan 0.000 0.448 834 L N 5.259 126.422 121.223 -0.099 0.000 2.395 834 L HA 0.333 4.664 4.340 -0.014 0.000 0.269 834 L C -1.683 175.124 176.870 -0.106 0.000 1.133 834 L CA -1.980 52.769 54.840 -0.152 0.000 0.812 834 L CB 0.942 42.882 42.059 -0.197 0.000 1.125 834 L HN 0.455 nan 8.230 nan 0.000 0.452 835 P HA 0.044 nan 4.420 nan 0.000 0.265 835 P C -0.634 176.633 177.300 -0.054 0.000 1.193 835 P CA -0.191 62.870 63.100 -0.065 0.000 0.765 835 P CB 0.747 32.413 31.700 -0.055 0.000 0.823 836 A N 0.000 122.797 122.820 -0.038 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486