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 1xc7_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.048 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.056 0.000 1.108 13 I N -0.308 120.251 120.570 -0.018 0.000 2.577 13 I HA 0.562 4.727 4.170 -0.009 0.000 0.305 13 I C 1.020 177.138 176.117 0.002 0.000 0.986 13 I CA -0.206 61.092 61.300 -0.004 0.000 1.189 13 I CB 1.818 39.820 38.000 0.004 0.000 1.355 13 I HN 0.272 nan 8.210 nan 0.000 0.476 14 S N 3.195 118.902 115.700 0.012 0.000 2.354 14 S HA -0.175 4.290 4.470 -0.009 0.000 0.219 14 S C 1.806 176.419 174.600 0.020 0.000 1.035 14 S CA 2.133 60.343 58.200 0.016 0.000 1.037 14 S CB -0.621 62.594 63.200 0.026 0.000 0.956 14 S HN 0.806 nan 8.310 nan 0.000 0.428 15 V N 0.239 120.174 119.914 0.035 0.000 3.140 15 V HA 0.051 4.165 4.120 -0.009 0.000 0.269 15 V C 1.814 177.926 176.094 0.030 0.000 1.149 15 V CA 1.601 63.925 62.300 0.040 0.000 1.162 15 V CB -1.133 30.722 31.823 0.052 0.000 0.756 15 V HN 0.392 nan 8.190 nan 0.000 0.523 16 R N 1.082 121.590 120.500 0.013 0.000 2.356 16 R HA 0.437 4.772 4.340 -0.009 0.000 0.234 16 R C 1.139 177.432 176.300 -0.012 0.000 0.929 16 R CA 0.535 56.636 56.100 0.001 0.000 1.084 16 R CB 0.021 30.317 30.300 -0.007 0.000 1.105 16 R HN 0.794 nan 8.270 nan 0.000 0.515 17 G N 0.871 109.664 108.800 -0.012 0.000 2.728 17 G HA2 -0.249 3.706 3.960 -0.009 0.000 0.294 17 G HA3 -0.249 3.706 3.960 -0.009 0.000 0.294 17 G C -0.652 174.235 174.900 -0.023 0.000 1.342 17 G CA -0.973 44.112 45.100 -0.026 0.000 0.866 17 G HN 0.096 nan 8.290 nan 0.000 0.534 18 L N 0.039 121.246 121.223 -0.026 0.000 2.343 18 L HA 0.690 5.025 4.340 -0.009 0.000 0.275 18 L C 0.971 177.828 176.870 -0.022 0.000 1.056 18 L CA -0.369 54.459 54.840 -0.021 0.000 0.804 18 L CB 1.939 43.987 42.059 -0.018 0.000 1.203 18 L HN 1.196 nan 8.230 nan 0.000 0.440 19 A N 2.060 124.869 122.820 -0.017 0.000 3.056 19 A HA 0.559 4.874 4.320 -0.009 0.000 0.328 19 A C 0.431 178.010 177.584 -0.007 0.000 1.233 19 A CA -0.422 51.606 52.037 -0.015 0.000 0.965 19 A CB -0.242 18.748 19.000 -0.016 0.000 1.123 19 A HN 0.780 nan 8.150 nan 0.000 0.502 20 G N -0.081 108.716 108.800 -0.005 0.000 2.441 20 G HA2 0.363 4.318 3.960 -0.009 0.000 0.243 20 G HA3 0.363 4.318 3.960 -0.009 0.000 0.243 20 G C 1.044 175.948 174.900 0.006 0.000 1.281 20 G CA -0.037 45.063 45.100 0.000 0.000 0.854 20 G HN 0.435 nan 8.290 nan 0.000 0.560 21 V N 1.954 121.873 119.914 0.008 0.000 2.250 21 V HA -0.260 3.854 4.120 -0.009 0.000 0.250 21 V C 2.608 178.711 176.094 0.015 0.000 1.060 21 V CA 2.506 64.813 62.300 0.011 0.000 1.030 21 V CB -0.637 31.191 31.823 0.010 0.000 0.643 21 V HN 0.854 nan 8.190 nan 0.000 0.445 22 E N -0.338 119.872 120.200 0.017 0.000 2.274 22 E HA -0.169 4.176 4.350 -0.009 0.000 0.194 22 E C 1.986 178.606 176.600 0.033 0.000 0.996 22 E CA 0.990 57.403 56.400 0.023 0.000 0.840 22 E CB -0.176 29.536 29.700 0.021 0.000 0.772 22 E HN 0.614 nan 8.360 nan 0.000 0.491 23 N N -0.045 118.672 118.700 0.029 0.000 2.173 23 N HA -0.097 4.638 4.740 -0.009 0.000 0.184 23 N C 1.733 177.264 175.510 0.035 0.000 1.025 23 N CA 0.644 53.716 53.050 0.036 0.000 0.852 23 N CB 0.085 38.581 38.487 0.015 0.000 0.998 23 N HN -0.089 nan 8.380 nan 0.000 0.427 24 V N 0.291 120.218 119.914 0.022 0.000 2.343 24 V HA -0.220 3.895 4.120 -0.009 0.000 0.247 24 V C 1.970 178.081 176.094 0.029 0.000 1.051 24 V CA 1.838 64.149 62.300 0.019 0.000 1.036 24 V CB -0.898 30.933 31.823 0.013 0.000 0.654 24 V HN 0.402 nan 8.190 nan 0.000 0.451 25 T N -0.640 113.933 114.554 0.031 0.000 2.746 25 T HA -0.208 4.136 4.350 -0.009 0.000 0.267 25 T C 1.923 176.655 174.700 0.053 0.000 1.039 25 T CA 1.749 63.869 62.100 0.034 0.000 1.142 25 T CB -0.167 68.718 68.868 0.028 0.000 0.866 25 T HN 0.474 nan 8.240 nan 0.000 0.444 26 E N 1.074 121.313 120.200 0.065 0.000 2.047 26 E HA -0.004 4.341 4.350 -0.009 0.000 0.191 26 E C 2.063 178.739 176.600 0.127 0.000 0.987 26 E CA 0.918 57.372 56.400 0.090 0.000 0.799 26 E CB -0.549 29.212 29.700 0.101 0.000 0.752 26 E HN 0.426 nan 8.360 nan 0.000 0.449 27 L N 0.308 121.608 121.223 0.128 0.000 2.042 27 L HA -0.230 4.105 4.340 -0.009 0.000 0.210 27 L C 2.469 179.442 176.870 0.173 0.000 1.076 27 L CA 1.648 56.584 54.840 0.158 0.000 0.749 27 L CB -0.395 41.717 42.059 0.089 0.000 0.893 27 L HN 0.096 nan 8.230 nan 0.000 0.432 28 K N 0.443 120.906 120.400 0.104 0.000 2.057 28 K HA -0.208 4.107 4.320 -0.009 0.000 0.207 28 K C 2.124 178.826 176.600 0.171 0.000 1.049 28 K CA 1.801 58.144 56.287 0.094 0.000 0.931 28 K CB -0.133 32.382 32.500 0.026 0.000 0.714 28 K HN 0.420 nan 8.250 nan 0.000 0.440 29 K N 0.336 120.816 120.400 0.134 0.000 2.097 29 K HA -0.054 4.261 4.320 -0.009 0.000 0.205 29 K C 1.599 178.292 176.600 0.154 0.000 1.050 29 K CA 1.259 57.622 56.287 0.126 0.000 0.938 29 K CB -0.155 32.393 32.500 0.080 0.000 0.718 29 K HN 0.015 nan 8.250 nan 0.000 0.442 30 N N 0.486 119.293 118.700 0.178 0.000 2.331 30 N HA -0.099 4.636 4.740 -0.009 0.000 0.180 30 N C 1.552 177.232 175.510 0.284 0.000 1.019 30 N CA 0.854 54.011 53.050 0.179 0.000 0.881 30 N CB -0.210 38.404 38.487 0.212 0.000 0.972 30 N HN 0.214 nan 8.380 nan 0.000 0.435 31 F N 2.468 122.526 119.950 0.180 0.000 2.113 31 F HA -0.057 4.465 4.527 -0.008 0.000 0.297 31 F C 1.992 177.903 175.800 0.186 0.000 1.103 31 F CA 1.215 59.334 58.000 0.198 0.000 1.248 31 F CB -0.157 38.925 39.000 0.138 0.000 0.999 31 F HN -0.042 nan 8.300 nan 0.000 0.475 32 N N 0.488 119.421 118.700 0.388 0.000 2.244 32 N HA -0.174 4.560 4.740 -0.009 0.000 0.183 32 N C 2.009 177.607 175.510 0.147 0.000 1.016 32 N CA 1.028 54.228 53.050 0.249 0.000 0.866 32 N CB -0.498 38.115 38.487 0.211 0.000 0.980 32 N HN 0.383 nan 8.380 nan 0.000 0.430 33 R N 0.283 120.868 120.500 0.143 0.000 2.066 33 R HA -0.086 4.249 4.340 -0.009 0.000 0.232 33 R C 1.777 178.157 176.300 0.134 0.000 1.131 33 R CA 1.421 57.624 56.100 0.172 0.000 0.955 33 R CB -0.181 30.142 30.300 0.038 0.000 0.851 33 R HN 0.348 nan 8.270 nan 0.000 0.432 34 H N -0.372 118.738 119.070 0.067 0.000 2.389 34 H HA -0.115 4.435 4.556 -0.009 0.000 0.299 34 H C 1.839 177.103 175.328 -0.106 0.000 1.081 34 H CA 1.446 57.468 56.048 -0.043 0.000 1.345 34 H CB 0.080 29.776 29.762 -0.110 0.000 1.393 34 H HN 0.128 nan 8.280 nan 0.000 0.520 35 L N -0.057 121.148 121.223 -0.030 0.000 2.083 35 L HA -0.189 4.146 4.340 -0.009 0.000 0.209 35 L C 2.178 179.027 176.870 -0.035 0.000 1.083 35 L CA 1.855 56.647 54.840 -0.080 0.000 0.752 35 L CB -0.437 41.582 42.059 -0.066 0.000 0.899 35 L HN 0.296 nan 8.230 nan 0.000 0.433 36 H N -1.549 117.448 119.070 -0.122 0.000 2.276 36 H HA -0.050 4.501 4.556 -0.009 0.000 0.307 36 H C 1.818 176.943 175.328 -0.339 0.000 1.061 36 H CA 2.316 58.199 56.048 -0.276 0.000 1.336 36 H CB -0.348 29.163 29.762 -0.420 0.000 1.396 36 H HN 0.313 nan 8.280 nan 0.000 0.503 37 F N -0.562 119.355 119.950 -0.055 0.000 2.234 37 F HA -0.034 4.487 4.527 -0.009 0.000 0.296 37 F C 2.571 178.286 175.800 -0.143 0.000 1.089 37 F CA 1.348 59.270 58.000 -0.130 0.000 1.343 37 F CB -0.247 38.714 39.000 -0.065 0.000 1.040 37 F HN 0.170 nan 8.300 nan 0.000 0.498 38 T N 0.051 114.630 114.554 0.041 0.000 2.901 38 T HA 0.054 4.399 4.350 -0.009 0.000 0.252 38 T C 1.938 176.544 174.700 -0.156 0.000 1.035 38 T CA 0.857 62.909 62.100 -0.079 0.000 1.142 38 T CB -0.286 68.501 68.868 -0.135 0.000 0.869 38 T HN 0.120 nan 8.240 nan 0.000 0.442 39 L N 1.134 122.265 121.223 -0.153 0.000 2.477 39 L HA 0.191 4.526 4.340 -0.009 0.000 0.220 39 L C 0.374 177.147 176.870 -0.162 0.000 1.106 39 L CA -0.064 54.676 54.840 -0.167 0.000 0.851 39 L CB -0.038 41.931 42.059 -0.150 0.000 0.994 39 L HN -0.014 nan 8.230 nan 0.000 0.462 40 V N 0.731 120.533 119.914 -0.187 0.000 6.078 40 V HA -0.303 3.812 4.120 -0.009 0.000 0.301 40 V C 0.001 175.981 176.094 -0.189 0.000 0.571 40 V CA 1.168 63.329 62.300 -0.232 0.000 0.625 40 V CB -2.298 29.415 31.823 -0.184 0.000 0.271 40 V HN 0.502 nan 8.190 nan 0.000 0.788 41 K N 0.724 121.023 120.400 -0.169 0.000 2.499 41 K HA 0.727 5.042 4.320 -0.009 0.000 0.277 41 K C -1.095 175.475 176.600 -0.050 0.000 1.025 41 K CA -0.587 55.634 56.287 -0.110 0.000 0.900 41 K CB 2.810 35.242 32.500 -0.114 0.000 1.494 41 K HN 0.468 nan 8.250 nan 0.000 0.442 42 D N -0.464 119.927 120.400 -0.015 0.000 2.645 42 D HA 0.203 4.838 4.640 -0.009 0.000 0.228 42 D C 0.052 176.385 176.300 0.054 0.000 1.148 42 D CA -0.742 53.285 54.000 0.044 0.000 0.860 42 D CB 1.201 42.030 40.800 0.049 0.000 1.548 42 D HN 0.375 nan 8.370 nan 0.000 0.460 43 R N 0.439 121.010 120.500 0.118 0.000 2.447 43 R HA -0.066 4.269 4.340 -0.009 0.000 0.215 43 R C 0.554 176.927 176.300 0.122 0.000 1.130 43 R CA 0.476 56.684 56.100 0.180 0.000 1.075 43 R CB -0.348 30.086 30.300 0.223 0.000 0.824 43 R HN 0.390 nan 8.270 nan 0.000 0.484 44 N N -0.199 118.540 118.700 0.064 0.000 2.388 44 N HA -0.045 4.690 4.740 -0.009 0.000 0.176 44 N C 1.463 176.989 175.510 0.028 0.000 1.062 44 N CA 0.964 54.041 53.050 0.046 0.000 0.895 44 N CB 0.846 39.350 38.487 0.029 0.000 1.018 44 N HN 0.198 nan 8.380 nan 0.000 0.456 45 V N -2.951 116.966 119.914 0.005 0.000 3.432 45 V HA 0.544 4.659 4.120 -0.009 0.000 0.298 45 V C 0.718 176.777 176.094 -0.058 0.000 1.464 45 V CA -0.508 61.781 62.300 -0.018 0.000 1.046 45 V CB -0.121 31.687 31.823 -0.026 0.000 0.887 45 V HN 0.007 nan 8.190 nan 0.000 0.441 46 A N 2.212 124.972 122.820 -0.100 0.000 2.477 46 A HA 0.598 4.913 4.320 -0.009 0.000 0.246 46 A C 0.724 178.138 177.584 -0.284 0.000 1.078 46 A CA 0.834 52.701 52.037 -0.283 0.000 0.770 46 A CB -0.079 18.604 19.000 -0.528 0.000 1.011 46 A HN 0.873 nan 8.150 nan 0.000 0.494 47 T N -0.055 114.334 114.554 -0.275 0.000 2.948 47 T HA 0.585 4.930 4.350 -0.009 0.000 0.285 47 T C -2.191 172.453 174.700 -0.093 0.000 1.019 47 T CA -1.775 60.260 62.100 -0.108 0.000 1.013 47 T CB 1.260 70.107 68.868 -0.034 0.000 1.117 47 T HN 0.233 nan 8.240 nan 0.000 0.533 48 P HA -0.091 nan 4.420 nan 0.000 0.217 48 P C 1.595 179.023 177.300 0.213 0.000 1.148 48 P CA 0.943 64.202 63.100 0.266 0.000 0.828 48 P CB 0.059 31.868 31.700 0.182 0.000 0.783 49 R N -0.092 120.477 120.500 0.115 0.000 2.092 49 R HA -0.137 4.198 4.340 -0.009 0.000 0.231 49 R C 1.599 178.084 176.300 0.308 0.000 1.119 49 R CA 1.713 57.922 56.100 0.182 0.000 0.970 49 R CB -0.637 29.703 30.300 0.065 0.000 0.864 49 R HN 0.084 nan 8.270 nan 0.000 0.440 50 D N -0.326 120.125 120.400 0.085 0.000 2.117 50 D HA -0.177 4.458 4.640 -0.009 0.000 0.197 50 D C 1.676 178.001 176.300 0.042 0.000 0.987 50 D CA 1.264 55.264 54.000 0.000 0.000 0.829 50 D CB -0.300 40.348 40.800 -0.253 0.000 0.961 50 D HN 0.296 nan 8.370 nan 0.000 0.460 51 Y N 0.005 120.416 120.300 0.186 0.000 2.242 51 Y HA -0.196 4.349 4.550 -0.008 0.000 0.291 51 Y C 2.305 178.342 175.900 0.229 0.000 1.137 51 Y CA 0.328 58.576 58.100 0.248 0.000 1.181 51 Y CB -1.081 37.575 38.460 0.328 0.000 0.989 51 Y HN 0.084 nan 8.280 nan 0.000 0.527 52 Y N -0.450 119.998 120.300 0.246 0.000 2.145 52 Y HA -0.279 4.266 4.550 -0.009 0.000 0.286 52 Y C 1.947 177.818 175.900 -0.048 0.000 1.145 52 Y CA 1.292 59.429 58.100 0.063 0.000 1.148 52 Y CB -1.147 37.248 38.460 -0.107 0.000 0.981 52 Y HN 0.042 nan 8.280 nan 0.000 0.507 53 F N 0.270 120.000 119.950 -0.367 0.000 2.171 53 F HA -0.128 4.394 4.527 -0.008 0.000 0.300 53 F C 2.637 178.283 175.800 -0.257 0.000 1.090 53 F CA 1.305 59.042 58.000 -0.439 0.000 1.293 53 F CB -0.865 38.058 39.000 -0.128 0.000 1.013 53 F HN 0.205 nan 8.300 nan 0.000 0.486 54 A N -0.159 122.609 122.820 -0.086 0.000 1.902 54 A HA -0.172 4.143 4.320 -0.009 0.000 0.217 54 A C 2.069 179.511 177.584 -0.236 0.000 1.181 54 A CA 1.559 53.408 52.037 -0.313 0.000 0.623 54 A CB -0.990 17.478 19.000 -0.887 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -0.292 120.917 121.223 -0.024 0.000 2.056 55 L HA 0.013 4.347 4.340 -0.009 0.000 0.207 55 L C 2.634 179.475 176.870 -0.049 0.000 1.078 55 L CA 2.119 57.073 54.840 0.190 0.000 0.749 55 L CB -0.882 41.360 42.059 0.305 0.000 0.901 55 L HN 0.329 nan 8.230 nan 0.000 0.433 56 A N -1.228 121.380 122.820 -0.353 0.000 1.902 56 A HA -0.269 4.046 4.320 -0.009 0.000 0.217 56 A C 2.126 179.337 177.584 -0.622 0.000 1.181 56 A CA 1.955 53.656 52.037 -0.561 0.000 0.623 56 A CB -1.070 17.263 19.000 -1.112 0.000 0.818 56 A HN 0.672 nan 8.150 nan 0.000 0.443 57 H N -0.837 117.907 119.070 -0.544 0.000 2.423 57 H HA -0.047 4.503 4.556 -0.009 0.000 0.297 57 H C 2.299 177.332 175.328 -0.491 0.000 1.075 57 H CA 1.905 57.562 56.048 -0.653 0.000 1.342 57 H CB -0.131 29.002 29.762 -1.048 0.000 1.395 57 H HN 0.458 nan 8.280 nan 0.000 0.530 58 T N -0.376 114.093 114.554 -0.143 0.000 2.777 58 T HA -0.119 4.226 4.350 -0.009 0.000 0.266 58 T C 2.241 177.095 174.700 0.255 0.000 1.040 58 T CA 1.309 63.519 62.100 0.183 0.000 1.141 58 T CB -0.333 68.713 68.868 0.296 0.000 0.868 58 T HN 0.100 nan 8.240 nan 0.000 0.444 59 V N 1.516 121.531 119.914 0.169 0.000 2.453 59 V HA -0.101 4.013 4.120 -0.009 0.000 0.247 59 V C 2.590 178.842 176.094 0.264 0.000 1.048 59 V CA 1.529 63.960 62.300 0.218 0.000 1.049 59 V CB -0.628 31.326 31.823 0.218 0.000 0.672 59 V HN 0.365 nan 8.190 nan 0.000 0.457 60 R N 0.333 120.936 120.500 0.171 0.000 2.091 60 R HA -0.226 4.109 4.340 -0.009 0.000 0.238 60 R C 1.973 178.369 176.300 0.161 0.000 1.136 60 R CA 2.166 58.365 56.100 0.165 0.000 0.959 60 R CB -0.425 29.813 30.300 -0.103 0.000 0.856 60 R HN 0.462 nan 8.270 nan 0.000 0.437 61 D N -0.101 120.390 120.400 0.151 0.000 2.158 61 D HA -0.164 4.471 4.640 -0.009 0.000 0.197 61 D C 1.590 177.915 176.300 0.043 0.000 0.995 61 D CA 1.430 55.497 54.000 0.110 0.000 0.846 61 D CB -0.374 40.495 40.800 0.115 0.000 0.941 61 D HN 0.486 nan 8.370 nan 0.000 0.456 62 H N -0.633 118.492 119.070 0.093 0.000 2.546 62 H HA 0.119 4.670 4.556 -0.008 0.000 0.277 62 H C 1.925 177.287 175.328 0.057 0.000 1.004 62 H CA 0.379 56.467 56.048 0.067 0.000 1.231 62 H CB 0.056 29.851 29.762 0.054 0.000 1.382 62 H HN 0.133 nan 8.280 nan 0.000 0.580 63 L N -1.050 120.271 121.223 0.164 0.000 2.249 63 L HA -0.059 4.276 4.340 -0.009 0.000 0.207 63 L C 1.984 178.950 176.870 0.161 0.000 1.090 63 L CA 0.160 55.065 54.840 0.107 0.000 0.802 63 L CB -0.016 42.074 42.059 0.052 0.000 0.947 63 L HN 0.140 nan 8.230 nan 0.000 0.453 64 V N 0.611 120.641 119.914 0.192 0.000 2.231 64 V HA -0.320 3.795 4.120 -0.009 0.000 0.250 64 V C 2.646 178.835 176.094 0.159 0.000 1.058 64 V CA 2.327 64.764 62.300 0.228 0.000 1.022 64 V CB -1.557 30.353 31.823 0.145 0.000 0.640 64 V HN 0.584 nan 8.190 nan 0.000 0.445 65 G N -0.267 108.582 108.800 0.082 0.000 2.491 65 G HA2 -0.290 3.665 3.960 -0.009 0.000 0.218 65 G HA3 -0.290 3.665 3.960 -0.009 0.000 0.218 65 G C 1.711 176.645 174.900 0.057 0.000 1.180 65 G CA 1.129 46.256 45.100 0.044 0.000 0.774 65 G HN 0.492 nan 8.290 nan 0.000 0.562 66 R N -1.462 119.081 120.500 0.072 0.000 2.081 66 R HA -0.093 4.242 4.340 -0.009 0.000 0.235 66 R C 2.297 178.670 176.300 0.122 0.000 1.131 66 R CA 1.243 57.377 56.100 0.056 0.000 0.960 66 R CB -0.401 29.917 30.300 0.031 0.000 0.856 66 R HN 0.493 nan 8.270 nan 0.000 0.436 67 W N 1.709 122.977 121.300 -0.052 0.000 2.355 67 W HA -0.072 4.583 4.660 -0.008 0.000 0.309 67 W C 1.755 178.232 176.519 -0.070 0.000 1.206 67 W CA 0.877 58.186 57.345 -0.061 0.000 1.284 67 W CB -0.580 28.858 29.460 -0.036 0.000 1.145 67 W HN -0.042 nan 8.180 nan 0.000 0.502 68 I N 1.026 121.635 120.570 0.065 0.000 2.226 68 I HA -0.335 3.830 4.170 -0.009 0.000 0.245 68 I C 2.642 178.728 176.117 -0.051 0.000 1.100 68 I CA 1.964 63.215 61.300 -0.083 0.000 1.374 68 I CB -0.574 37.383 38.000 -0.071 0.000 1.057 68 I HN -0.001 nan 8.210 nan 0.000 0.413 69 R N 0.097 120.585 120.500 -0.019 0.000 2.153 69 R HA -0.025 4.310 4.340 -0.009 0.000 0.218 69 R C 1.940 178.202 176.300 -0.063 0.000 1.072 69 R CA 1.351 57.434 56.100 -0.029 0.000 0.990 69 R CB -1.087 29.195 30.300 -0.030 0.000 0.889 69 R HN 0.157 nan 8.270 nan 0.000 0.452 70 T N 1.598 116.095 114.554 -0.096 0.000 2.674 70 T HA -0.104 4.241 4.350 -0.009 0.000 0.265 70 T C 1.824 176.267 174.700 -0.429 0.000 1.039 70 T CA 1.340 63.285 62.100 -0.259 0.000 1.150 70 T CB -0.111 68.644 68.868 -0.188 0.000 0.864 70 T HN 0.228 nan 8.240 nan 0.000 0.427 71 Q N 1.349 121.026 119.800 -0.206 0.000 2.084 71 Q HA -0.147 4.188 4.340 -0.009 0.000 0.202 71 Q C 2.459 178.470 176.000 0.019 0.000 0.978 71 Q CA 1.482 57.231 55.803 -0.090 0.000 0.844 71 Q CB -0.546 28.167 28.738 -0.041 0.000 0.898 71 Q HN 0.819 nan 8.270 nan 0.000 0.426 72 Q N -0.853 118.957 119.800 0.016 0.000 2.297 72 Q HA -0.152 4.183 4.340 -0.009 0.000 0.204 72 Q C 1.708 177.809 176.000 0.168 0.000 0.962 72 Q CA 1.353 57.225 55.803 0.115 0.000 0.879 72 Q CB -0.418 28.363 28.738 0.071 0.000 0.947 72 Q HN 0.415 nan 8.270 nan 0.000 0.462 73 H N 0.338 119.388 119.070 -0.033 0.000 2.357 73 H HA -0.151 4.399 4.556 -0.009 0.000 0.301 73 H C 1.013 176.410 175.328 0.114 0.000 1.082 73 H CA 1.895 57.931 56.048 -0.021 0.000 1.342 73 H CB -0.184 29.492 29.762 -0.143 0.000 1.389 73 H HN 0.286 nan 8.280 nan 0.000 0.511 74 Y N -1.001 119.325 120.300 0.043 0.000 2.293 74 Y HA -0.163 4.382 4.550 -0.009 0.000 0.291 74 Y C 2.372 178.304 175.900 0.054 0.000 1.137 74 Y CA 1.020 59.119 58.100 -0.002 0.000 1.202 74 Y CB -1.298 37.228 38.460 0.111 0.000 0.990 74 Y HN 0.357 nan 8.280 nan 0.000 0.537 75 Y N 1.205 121.596 120.300 0.153 0.000 2.242 75 Y HA -0.146 4.398 4.550 -0.009 0.000 0.291 75 Y C 2.023 177.945 175.900 0.036 0.000 1.137 75 Y CA 1.463 59.619 58.100 0.094 0.000 1.181 75 Y CB -0.021 38.487 38.460 0.080 0.000 0.989 75 Y HN 0.017 nan 8.280 nan 0.000 0.527 76 E N 0.392 120.579 120.200 -0.021 0.000 2.046 76 E HA -0.130 4.215 4.350 -0.009 0.000 0.190 76 E C 1.986 178.498 176.600 -0.147 0.000 0.982 76 E CA 1.189 57.519 56.400 -0.117 0.000 0.800 76 E CB -0.218 29.478 29.700 -0.006 0.000 0.756 76 E HN 0.484 nan 8.360 nan 0.000 0.449 77 K N 0.621 120.926 120.400 -0.158 0.000 2.305 77 K HA -0.072 4.243 4.320 -0.009 0.000 0.199 77 K C -0.041 176.501 176.600 -0.096 0.000 1.047 77 K CA 0.486 56.687 56.287 -0.145 0.000 0.976 77 K CB 0.061 32.422 32.500 -0.232 0.000 0.765 77 K HN -0.003 nan 8.250 nan 0.000 0.474 78 D N 0.878 121.234 120.400 -0.074 0.000 2.735 78 D HA -0.093 4.542 4.640 -0.009 0.000 0.235 78 D C -2.605 173.675 176.300 -0.033 0.000 1.175 78 D CA -0.010 53.962 54.000 -0.046 0.000 0.683 78 D CB -0.284 40.464 40.800 -0.087 0.000 1.008 78 D HN 0.109 nan 8.370 nan 0.000 0.416 79 P HA 0.123 nan 4.420 nan 0.000 0.274 79 P C -0.282 176.982 177.300 -0.060 0.000 1.256 79 P CA -0.564 62.502 63.100 -0.057 0.000 0.795 79 P CB 0.526 32.168 31.700 -0.096 0.000 1.038 80 K N 1.376 121.742 120.400 -0.056 0.000 2.368 80 K HA 0.125 4.440 4.320 -0.009 0.000 0.282 80 K C -0.222 176.303 176.600 -0.126 0.000 1.035 80 K CA -0.060 56.192 56.287 -0.060 0.000 0.973 80 K CB 0.236 32.716 32.500 -0.033 0.000 0.957 80 K HN 0.258 nan 8.250 nan 0.000 0.474 81 R N 3.585 123.997 120.500 -0.146 0.000 2.368 81 R HA 0.353 4.688 4.340 -0.009 0.000 0.302 81 R C -0.503 175.532 176.300 -0.442 0.000 1.002 81 R CA -0.561 55.373 56.100 -0.277 0.000 0.929 81 R CB 0.898 31.051 30.300 -0.246 0.000 1.073 81 R HN 0.498 nan 8.270 nan 0.000 0.464 82 I N 4.103 124.360 120.570 -0.522 0.000 2.339 82 I HA 0.216 4.381 4.170 -0.009 0.000 0.290 82 I C -0.701 175.107 176.117 -0.515 0.000 0.994 82 I CA -0.768 60.176 61.300 -0.593 0.000 1.191 82 I CB 0.895 38.439 38.000 -0.760 0.000 1.343 82 I HN 0.534 nan 8.210 nan 0.000 0.458 83 Y N 5.924 126.199 120.300 -0.043 0.000 2.356 83 Y HA 0.290 4.835 4.550 -0.008 0.000 0.334 83 Y C -0.325 175.686 175.900 0.185 0.000 0.958 83 Y CA -0.753 57.448 58.100 0.168 0.000 1.196 83 Y CB 1.189 39.716 38.460 0.111 0.000 1.137 83 Y HN 0.393 nan 8.280 nan 0.000 0.485 84 Y N 4.774 125.263 120.300 0.314 0.000 2.518 84 Y HA 0.460 5.005 4.550 -0.008 0.000 0.344 84 Y C -0.782 175.386 175.900 0.447 0.000 0.982 84 Y CA -0.749 57.539 58.100 0.315 0.000 1.234 84 Y CB 0.317 38.964 38.460 0.311 0.000 1.114 84 Y HN 0.535 nan 8.280 nan 0.000 0.515 85 L N 5.266 126.557 121.223 0.113 0.000 2.265 85 L HA 0.441 4.776 4.340 -0.009 0.000 0.288 85 L C -0.025 176.869 176.870 0.039 0.000 1.058 85 L CA -0.233 54.721 54.840 0.190 0.000 0.809 85 L CB 1.026 43.160 42.059 0.125 0.000 1.179 85 L HN 0.562 nan 8.230 nan 0.000 0.429 86 S N 2.426 118.230 115.700 0.173 0.000 2.541 86 S HA 0.424 4.889 4.470 -0.009 0.000 0.271 86 S C 0.033 174.715 174.600 0.136 0.000 1.133 86 S CA -0.574 57.623 58.200 -0.006 0.000 0.876 86 S CB 1.577 64.541 63.200 -0.393 0.000 1.105 86 S HN 0.477 nan 8.310 nan 0.000 0.470 87 L N 2.767 124.109 121.223 0.198 0.000 2.591 87 L HA 0.461 4.796 4.340 -0.009 0.000 0.228 87 L C 0.334 177.393 176.870 0.315 0.000 1.133 87 L CA 1.060 56.083 54.840 0.305 0.000 0.880 87 L CB -0.232 42.029 42.059 0.336 0.000 1.033 87 L HN 0.650 nan 8.230 nan 0.000 0.450 88 E N -1.372 118.884 120.200 0.094 0.000 2.292 88 E HA 0.416 4.761 4.350 -0.009 0.000 0.272 88 E C -1.397 175.067 176.600 -0.227 0.000 0.881 88 E CA -0.446 55.997 56.400 0.072 0.000 0.754 88 E CB 1.971 31.706 29.700 0.059 0.000 1.201 88 E HN -0.171 nan 8.360 nan 0.000 0.425 89 F N 2.119 122.176 119.950 0.178 0.000 2.902 89 F HA 0.167 4.688 4.527 -0.009 0.000 0.368 89 F C -0.927 174.957 175.800 0.141 0.000 1.202 89 F CA -0.748 57.345 58.000 0.154 0.000 1.109 89 F CB 0.999 40.080 39.000 0.135 0.000 1.418 89 F HN 0.482 nan 8.300 nan 0.000 0.527 90 Y N 5.305 125.680 120.300 0.126 0.000 2.636 90 Y HA 0.214 4.759 4.550 -0.008 0.000 0.334 90 Y C 1.020 176.942 175.900 0.037 0.000 1.286 90 Y CA -1.044 57.082 58.100 0.043 0.000 1.688 90 Y CB 0.300 38.769 38.460 0.014 0.000 1.662 90 Y HN 0.540 nan 8.280 nan 0.000 0.465 91 M N 1.377 121.127 119.600 0.251 0.000 2.254 91 M HA 0.098 4.572 4.480 -0.009 0.000 0.265 91 M C 1.564 177.855 176.300 -0.016 0.000 1.066 91 M CA 1.126 56.475 55.300 0.081 0.000 1.123 91 M CB -1.276 31.342 32.600 0.029 0.000 1.388 91 M HN 0.674 nan 8.290 nan 0.000 0.425 92 G N 1.094 109.906 108.800 0.021 0.000 2.562 92 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.250 92 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.250 92 G C -0.310 174.553 174.900 -0.062 0.000 1.269 92 G CA -0.352 44.713 45.100 -0.058 0.000 0.919 92 G HN 0.439 nan 8.290 nan 0.000 0.574 93 R N -0.664 119.778 120.500 -0.097 0.000 2.582 93 R HA 0.548 4.883 4.340 -0.009 0.000 0.271 93 R C 1.096 177.282 176.300 -0.191 0.000 1.078 93 R CA 0.363 56.412 56.100 -0.085 0.000 1.127 93 R CB 0.668 30.924 30.300 -0.073 0.000 1.038 93 R HN 0.527 nan 8.270 nan 0.000 0.500 94 T N 1.356 115.745 114.554 -0.275 0.000 2.990 94 T HA -0.011 4.334 4.350 -0.009 0.000 0.249 94 T C 1.451 175.762 174.700 -0.648 0.000 1.039 94 T CA -0.147 61.574 62.100 -0.633 0.000 1.036 94 T CB 0.133 68.225 68.868 -1.293 0.000 0.994 94 T HN 0.310 nan 8.240 nan 0.000 0.489 95 L N 1.965 123.048 121.223 -0.233 0.000 1.970 95 L HA -0.059 4.276 4.340 -0.009 0.000 0.212 95 L C 2.455 179.292 176.870 -0.056 0.000 1.071 95 L CA 2.010 56.867 54.840 0.028 0.000 0.751 95 L CB -0.713 41.559 42.059 0.355 0.000 0.889 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 Q N -0.815 118.951 119.800 -0.058 0.000 2.084 96 Q HA -0.248 4.087 4.340 -0.009 0.000 0.202 96 Q C 2.228 178.155 176.000 -0.121 0.000 0.978 96 Q CA 1.789 57.550 55.803 -0.070 0.000 0.844 96 Q CB -0.287 28.407 28.738 -0.072 0.000 0.898 96 Q HN 0.697 nan 8.270 nan 0.000 0.426 97 N N -0.951 117.637 118.700 -0.185 0.000 2.149 97 N HA -0.150 4.585 4.740 -0.009 0.000 0.188 97 N C 1.346 176.747 175.510 -0.182 0.000 1.019 97 N CA 1.765 54.696 53.050 -0.198 0.000 0.857 97 N CB 0.083 38.417 38.487 -0.254 0.000 0.997 97 N HN 0.209 nan 8.380 nan 0.000 0.426 98 T N 1.271 115.682 114.554 -0.239 0.000 2.777 98 T HA -0.053 4.291 4.350 -0.009 0.000 0.266 98 T C 2.066 176.700 174.700 -0.110 0.000 1.040 98 T CA 1.059 63.035 62.100 -0.206 0.000 1.141 98 T CB -0.070 68.632 68.868 -0.277 0.000 0.868 98 T HN 0.267 nan 8.240 nan 0.000 0.444 99 M N 0.582 120.134 119.600 -0.080 0.000 2.117 99 M HA -0.088 4.387 4.480 -0.009 0.000 0.262 99 M C 2.483 178.749 176.300 -0.057 0.000 1.065 99 M CA 1.243 56.510 55.300 -0.055 0.000 1.114 99 M CB -0.672 31.909 32.600 -0.031 0.000 1.361 99 M HN 0.099 nan 8.290 nan 0.000 0.408 100 V N 1.038 120.923 119.914 -0.048 0.000 2.255 100 V HA -0.279 3.835 4.120 -0.009 0.000 0.247 100 V C 1.875 177.976 176.094 0.011 0.000 1.051 100 V CA 1.948 64.246 62.300 -0.003 0.000 1.018 100 V CB -0.864 30.962 31.823 0.005 0.000 0.641 100 V HN 0.472 nan 8.190 nan 0.000 0.445 101 N N -0.133 118.562 118.700 -0.009 0.000 2.381 101 N HA -0.023 4.712 4.740 -0.009 0.000 0.182 101 N C 1.371 176.784 175.510 -0.162 0.000 1.025 101 N CA 0.997 54.020 53.050 -0.045 0.000 0.888 101 N CB -0.181 38.289 38.487 -0.029 0.000 0.965 101 N HN 0.429 nan 8.380 nan 0.000 0.438 102 L N -0.570 120.579 121.223 -0.124 0.000 2.640 102 L HA 0.344 4.679 4.340 -0.009 0.000 0.230 102 L C 0.515 177.308 176.870 -0.128 0.000 1.123 102 L CA -0.138 54.631 54.840 -0.119 0.000 0.900 102 L CB -0.052 41.963 42.059 -0.074 0.000 1.146 102 L HN -0.028 nan 8.230 nan 0.000 0.484 103 A N 0.636 123.375 122.820 -0.135 0.000 2.846 103 A HA -0.204 4.111 4.320 -0.009 0.000 0.287 103 A C 0.805 178.336 177.584 -0.088 0.000 1.469 103 A CA 0.885 52.854 52.037 -0.112 0.000 0.757 103 A CB -2.043 16.875 19.000 -0.136 0.000 1.033 103 A HN 0.433 nan 8.150 nan 0.000 0.516 104 L N -1.516 119.655 121.223 -0.087 0.000 2.766 104 L HA 0.174 4.509 4.340 -0.009 0.000 0.242 104 L C 1.854 178.686 176.870 -0.063 0.000 1.136 104 L CA 0.635 55.418 54.840 -0.095 0.000 0.933 104 L CB 0.097 42.068 42.059 -0.146 0.000 1.241 104 L HN 0.641 nan 8.230 nan 0.000 0.522 105 E N 1.264 121.437 120.200 -0.046 0.000 2.038 105 E HA -0.248 4.097 4.350 -0.009 0.000 0.195 105 E C 1.624 178.208 176.600 -0.026 0.000 1.000 105 E CA 1.885 58.267 56.400 -0.029 0.000 0.803 105 E CB 0.118 29.804 29.700 -0.023 0.000 0.750 105 E HN 0.525 nan 8.360 nan 0.000 0.448 106 N N -0.578 118.105 118.700 -0.029 0.000 2.188 106 N HA -0.133 4.602 4.740 -0.009 0.000 0.184 106 N C 1.773 177.267 175.510 -0.028 0.000 1.018 106 N CA 0.658 53.691 53.050 -0.029 0.000 0.858 106 N CB -0.078 38.392 38.487 -0.029 0.000 0.989 106 N HN 0.153 nan 8.380 nan 0.000 0.426 107 A N 0.518 123.319 122.820 -0.031 0.000 1.902 107 A HA -0.156 4.159 4.320 -0.009 0.000 0.217 107 A C 2.409 179.979 177.584 -0.023 0.000 1.181 107 A CA 1.069 53.089 52.037 -0.028 0.000 0.623 107 A CB -0.897 18.078 19.000 -0.041 0.000 0.818 107 A HN 0.454 nan 8.150 nan 0.000 0.443 108 C N -0.924 118.360 119.300 -0.027 0.000 2.440 108 C HA -0.050 4.405 4.460 -0.009 0.000 0.278 108 C C 2.443 177.427 174.990 -0.011 0.000 1.295 108 C CA 1.135 60.144 59.018 -0.014 0.000 1.738 108 C CB -1.149 26.592 27.740 0.001 0.000 1.987 108 C HN 0.759 nan 8.230 nan 0.000 0.492 109 D N 0.711 121.106 120.400 -0.008 0.000 2.117 109 D HA -0.159 4.476 4.640 -0.009 0.000 0.197 109 D C 2.107 178.417 176.300 0.017 0.000 0.987 109 D CA 1.543 55.542 54.000 -0.002 0.000 0.829 109 D CB -0.139 40.649 40.800 -0.019 0.000 0.961 109 D HN 0.468 nan 8.370 nan 0.000 0.460 110 E N -0.017 120.188 120.200 0.009 0.000 2.046 110 E HA -0.017 4.328 4.350 -0.009 0.000 0.190 110 E C 1.908 178.547 176.600 0.063 0.000 0.982 110 E CA 1.459 57.888 56.400 0.048 0.000 0.800 110 E CB -0.610 29.101 29.700 0.019 0.000 0.756 110 E HN 0.236 nan 8.360 nan 0.000 0.449 111 A N -0.005 122.816 122.820 0.002 0.000 1.883 111 A HA -0.232 4.083 4.320 -0.009 0.000 0.217 111 A C 2.497 180.005 177.584 -0.127 0.000 1.186 111 A CA 2.938 54.947 52.037 -0.046 0.000 0.624 111 A CB -1.521 17.451 19.000 -0.045 0.000 0.822 111 A HN 0.525 nan 8.150 nan 0.000 0.444 112 T N -3.713 110.759 114.554 -0.137 0.000 2.821 112 T HA -0.202 4.143 4.350 -0.009 0.000 0.267 112 T C 1.840 176.458 174.700 -0.137 0.000 1.046 112 T CA 1.493 63.454 62.100 -0.232 0.000 1.139 112 T CB -0.569 68.201 68.868 -0.163 0.000 0.871 112 T HN 0.462 nan 8.240 nan 0.000 0.454 113 Y N 2.245 122.463 120.300 -0.137 0.000 2.145 113 Y HA -0.095 4.451 4.550 -0.008 0.000 0.286 113 Y C 2.615 178.452 175.900 -0.105 0.000 1.145 113 Y CA 1.541 59.580 58.100 -0.102 0.000 1.148 113 Y CB -0.637 37.782 38.460 -0.069 0.000 0.981 113 Y HN 0.232 nan 8.280 nan 0.000 0.507 114 Q N -0.246 119.464 119.800 -0.150 0.000 2.364 114 Q HA -0.116 4.219 4.340 -0.009 0.000 0.209 114 Q C 1.713 177.571 176.000 -0.237 0.000 0.977 114 Q CA 1.236 56.911 55.803 -0.213 0.000 0.885 114 Q CB -0.113 28.583 28.738 -0.070 0.000 0.941 114 Q HN 0.527 nan 8.270 nan 0.000 0.464 115 L N -1.108 119.961 121.223 -0.256 0.000 2.607 115 L HA 0.201 4.536 4.340 -0.009 0.000 0.228 115 L C 0.874 177.581 176.870 -0.272 0.000 1.123 115 L CA 0.155 54.839 54.840 -0.260 0.000 0.890 115 L CB 0.231 42.069 42.059 -0.368 0.000 1.103 115 L HN 0.288 nan 8.230 nan 0.000 0.468 116 G N 1.147 109.765 108.800 -0.303 0.000 2.212 116 G HA2 -0.252 3.703 3.960 -0.009 0.000 0.255 116 G HA3 -0.252 3.703 3.960 -0.009 0.000 0.255 116 G C -0.250 174.516 174.900 -0.224 0.000 1.062 116 G CA -0.061 44.878 45.100 -0.268 0.000 0.815 116 G HN 0.243 nan 8.290 nan 0.000 0.497 117 L N -0.361 120.730 121.223 -0.219 0.000 2.381 117 L HA 0.573 4.908 4.340 -0.009 0.000 0.268 117 L C -0.723 176.112 176.870 -0.057 0.000 0.997 117 L CA -1.186 53.550 54.840 -0.173 0.000 0.818 117 L CB 2.046 43.935 42.059 -0.284 0.000 1.310 117 L HN 0.100 nan 8.230 nan 0.000 0.416 118 D N 2.419 122.814 120.400 -0.008 0.000 2.396 118 D HA 0.178 4.813 4.640 -0.009 0.000 0.225 118 D C 0.691 177.016 176.300 0.041 0.000 1.121 118 D CA -0.252 53.770 54.000 0.037 0.000 0.853 118 D CB 1.483 42.309 40.800 0.045 0.000 1.043 118 D HN 0.527 nan 8.370 nan 0.000 0.500 119 M N 3.136 122.761 119.600 0.041 0.000 2.149 119 M HA -0.174 4.301 4.480 -0.009 0.000 0.261 119 M C 1.385 177.724 176.300 0.065 0.000 1.064 119 M CA 1.596 56.930 55.300 0.056 0.000 1.102 119 M CB 0.161 32.786 32.600 0.043 0.000 1.369 119 M HN 0.432 nan 8.290 nan 0.000 0.408 120 E N 0.092 120.322 120.200 0.050 0.000 2.118 120 E HA -0.266 4.079 4.350 -0.009 0.000 0.195 120 E C 1.750 178.382 176.600 0.054 0.000 0.992 120 E CA 1.773 58.201 56.400 0.047 0.000 0.804 120 E CB -0.144 29.581 29.700 0.042 0.000 0.741 120 E HN 0.775 nan 8.360 nan 0.000 0.458 121 E N 0.469 120.703 120.200 0.058 0.000 2.299 121 E HA -0.105 4.240 4.350 -0.009 0.000 0.193 121 E C 1.997 178.636 176.600 0.066 0.000 0.998 121 E CA 0.373 56.806 56.400 0.056 0.000 0.851 121 E CB -0.125 29.608 29.700 0.054 0.000 0.795 121 E HN 0.233 nan 8.360 nan 0.000 0.492 122 L N 0.901 122.184 121.223 0.099 0.000 2.156 122 L HA -0.056 4.278 4.340 -0.009 0.000 0.208 122 L C 2.240 179.174 176.870 0.108 0.000 1.095 122 L CA 1.186 56.120 54.840 0.156 0.000 0.770 122 L CB -0.306 41.894 42.059 0.235 0.000 0.914 122 L HN 0.166 nan 8.230 nan 0.000 0.439 123 E N -0.050 120.201 120.200 0.085 0.000 2.150 123 E HA -0.182 4.162 4.350 -0.009 0.000 0.193 123 E C 1.819 178.385 176.600 -0.058 0.000 0.985 123 E CA 0.649 57.073 56.400 0.040 0.000 0.814 123 E CB 0.054 29.782 29.700 0.046 0.000 0.752 123 E HN 0.369 nan 8.360 nan 0.000 0.466 124 E N 0.446 120.627 120.200 -0.031 0.000 2.409 124 E HA -0.099 4.246 4.350 -0.009 0.000 0.198 124 E C 1.865 178.403 176.600 -0.104 0.000 1.024 124 E CA 0.523 56.903 56.400 -0.033 0.000 0.861 124 E CB 0.061 29.774 29.700 0.022 0.000 0.788 124 E HN 0.427 nan 8.360 nan 0.000 0.521 125 I N 0.707 121.152 120.570 -0.207 0.000 2.617 125 I HA -0.089 4.076 4.170 -0.009 0.000 0.256 125 I C 1.395 177.206 176.117 -0.510 0.000 1.167 125 I CA 0.169 61.280 61.300 -0.315 0.000 1.469 125 I CB 0.060 37.875 38.000 -0.308 0.000 1.098 125 I HN -0.007 nan 8.210 nan 0.000 0.436 126 E N 2.567 122.337 120.200 -0.717 0.000 2.413 126 E HA -0.038 4.307 4.350 -0.009 0.000 0.263 126 E C -0.206 176.297 176.600 -0.163 0.000 1.015 126 E CA -0.109 55.930 56.400 -0.601 0.000 0.916 126 E CB 0.677 30.147 29.700 -0.384 0.000 0.947 126 E HN 0.087 nan 8.360 nan 0.000 0.440 127 E N 3.046 123.248 120.200 0.003 0.000 2.313 127 E HA 0.108 4.453 4.350 -0.009 0.000 0.272 127 E C -0.909 175.792 176.600 0.168 0.000 1.038 127 E CA -0.374 56.108 56.400 0.137 0.000 0.863 127 E CB 0.951 30.817 29.700 0.275 0.000 1.060 127 E HN 0.477 nan 8.360 nan 0.000 0.402 128 D N 0.588 121.066 120.400 0.129 0.000 2.382 128 D HA 0.208 4.843 4.640 -0.009 0.000 0.245 128 D C -0.444 175.894 176.300 0.062 0.000 1.120 128 D CA 0.039 54.092 54.000 0.087 0.000 0.890 128 D CB 0.757 41.600 40.800 0.072 0.000 1.201 128 D HN 0.363 nan 8.370 nan 0.000 0.433 129 A N 2.255 125.067 122.820 -0.014 0.000 2.666 129 A HA 0.485 4.800 4.320 -0.009 0.000 0.312 129 A C 0.923 178.349 177.584 -0.264 0.000 1.471 129 A CA -0.488 51.344 52.037 -0.342 0.000 1.134 129 A CB -0.228 18.656 19.000 -0.194 0.000 1.129 129 A HN 0.521 nan 8.150 nan 0.000 0.539 130 G N 2.079 110.657 108.800 -0.369 0.000 3.717 130 G HA2 0.420 4.375 3.960 -0.009 0.000 0.258 130 G HA3 0.420 4.375 3.960 -0.009 0.000 0.258 130 G C 0.288 174.883 174.900 -0.508 0.000 1.088 130 G CA -0.305 44.602 45.100 -0.322 0.000 1.737 130 G HN 0.693 nan 8.290 nan 0.000 0.648 131 L N 1.434 122.437 121.223 -0.366 0.000 2.939 131 L HA 0.377 4.712 4.340 -0.009 0.000 0.239 131 L C 1.031 177.819 176.870 -0.137 0.000 1.325 131 L CA -0.208 54.547 54.840 -0.143 0.000 1.170 131 L CB -0.381 41.728 42.059 0.084 0.000 1.538 131 L HN 0.342 nan 8.230 nan 0.000 0.452 132 G N -1.276 107.215 108.800 -0.515 0.000 2.660 132 G HA2 0.193 4.148 3.960 -0.009 0.000 0.290 132 G HA3 0.193 4.148 3.960 -0.009 0.000 0.290 132 G C -0.146 174.404 174.900 -0.585 0.000 1.432 132 G CA -0.464 44.378 45.100 -0.430 0.000 0.807 132 G HN -0.080 nan 8.290 nan 0.000 0.485 133 N N -0.779 117.801 118.700 -0.200 0.000 2.368 133 N HA 0.187 4.922 4.740 -0.009 0.000 0.178 133 N C 1.207 176.778 175.510 0.103 0.000 1.021 133 N CA 1.365 54.374 53.050 -0.068 0.000 0.875 133 N CB 1.094 39.625 38.487 0.073 0.000 1.020 133 N HN 0.810 nan 8.380 nan 0.000 0.433 134 G N -0.646 108.284 108.800 0.215 0.000 2.927 134 G HA2 0.157 4.112 3.960 -0.009 0.000 0.111 134 G HA3 0.157 4.112 3.960 -0.009 0.000 0.111 134 G C 0.780 175.809 174.900 0.215 0.000 1.198 134 G CA 0.269 45.543 45.100 0.290 0.000 1.382 134 G HN 0.183 nan 8.290 nan 0.000 0.663 135 G N 0.501 109.381 108.800 0.132 0.000 2.476 135 G HA2 -0.111 3.844 3.960 -0.009 0.000 0.218 135 G HA3 -0.111 3.844 3.960 -0.009 0.000 0.218 135 G C 1.881 176.782 174.900 0.002 0.000 1.164 135 G CA 1.520 46.653 45.100 0.055 0.000 0.768 135 G HN 0.729 nan 8.290 nan 0.000 0.560 136 L N 0.583 121.793 121.223 -0.022 0.000 2.017 136 L HA 0.094 4.429 4.340 -0.009 0.000 0.208 136 L C 2.887 179.699 176.870 -0.097 0.000 1.073 136 L CA 1.869 56.615 54.840 -0.156 0.000 0.745 136 L CB -0.570 41.361 42.059 -0.214 0.000 0.894 136 L HN 0.256 nan 8.230 nan 0.000 0.432 137 G N -0.628 108.181 108.800 0.015 0.000 2.408 137 G HA2 -0.315 3.639 3.960 -0.009 0.000 0.217 137 G HA3 -0.315 3.639 3.960 -0.009 0.000 0.217 137 G C 1.636 176.610 174.900 0.124 0.000 1.150 137 G CA 0.743 45.878 45.100 0.059 0.000 0.776 137 G HN 0.292 nan 8.290 nan 0.000 0.542 138 R N -0.006 120.582 120.500 0.145 0.000 2.115 138 R HA 0.140 4.474 4.340 -0.009 0.000 0.226 138 R C 2.291 178.589 176.300 -0.004 0.000 1.100 138 R CA 0.772 56.926 56.100 0.091 0.000 0.980 138 R CB -0.826 29.485 30.300 0.017 0.000 0.875 138 R HN 0.332 nan 8.270 nan 0.000 0.445 139 L N 0.161 121.313 121.223 -0.118 0.000 2.046 139 L HA 0.006 4.341 4.340 -0.009 0.000 0.208 139 L C 2.078 178.650 176.870 -0.497 0.000 1.077 139 L CA 2.187 56.815 54.840 -0.355 0.000 0.747 139 L CB -0.839 40.972 42.059 -0.414 0.000 0.896 139 L HN 0.244 nan 8.230 nan 0.000 0.432 140 A N -0.588 122.080 122.820 -0.254 0.000 1.933 140 A HA -0.131 4.184 4.320 -0.009 0.000 0.218 140 A C 2.436 180.082 177.584 0.102 0.000 1.175 140 A CA 1.809 53.780 52.037 -0.110 0.000 0.628 140 A CB -1.120 17.798 19.000 -0.137 0.000 0.814 140 A HN 0.580 nan 8.150 nan 0.000 0.444 141 A N -1.064 121.845 122.820 0.148 0.000 1.898 141 A HA -0.150 4.165 4.320 -0.009 0.000 0.216 141 A C 2.303 179.966 177.584 0.132 0.000 1.181 141 A CA 1.626 53.779 52.037 0.193 0.000 0.620 141 A CB -1.246 17.855 19.000 0.168 0.000 0.819 141 A HN 0.592 nan 8.150 nan 0.000 0.442 142 C N -1.433 117.939 119.300 0.121 0.000 2.425 142 C HA -0.051 4.404 4.460 -0.009 0.000 0.277 142 C C 2.420 177.576 174.990 0.277 0.000 1.280 142 C CA 0.541 59.671 59.018 0.186 0.000 1.744 142 C CB -1.610 26.259 27.740 0.215 0.000 1.989 142 C HN 0.603 nan 8.230 nan 0.000 0.491 143 F N 1.198 121.139 119.950 -0.015 0.000 2.134 143 F HA -0.074 4.448 4.527 -0.009 0.000 0.299 143 F C 2.243 177.988 175.800 -0.091 0.000 1.097 143 F CA 1.007 58.947 58.000 -0.101 0.000 1.264 143 F CB -1.381 37.428 39.000 -0.319 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.399 120.904 121.223 0.133 0.000 2.046 144 L HA -0.250 4.085 4.340 -0.009 0.000 0.208 144 L C 2.167 179.050 176.870 0.023 0.000 1.077 144 L CA 1.940 56.810 54.840 0.050 0.000 0.747 144 L CB -0.762 41.324 42.059 0.045 0.000 0.896 144 L HN 0.101 nan 8.230 nan 0.000 0.432 145 D N -0.469 119.955 120.400 0.039 0.000 2.097 145 D HA -0.176 4.458 4.640 -0.009 0.000 0.195 145 D C 2.200 178.519 176.300 0.031 0.000 0.989 145 D CA 1.522 55.531 54.000 0.015 0.000 0.827 145 D CB 0.198 41.007 40.800 0.014 0.000 0.966 145 D HN 0.075 nan 8.370 nan 0.000 0.456 146 S N -0.754 114.982 115.700 0.061 0.000 2.383 146 S HA -0.093 4.372 4.470 -0.009 0.000 0.227 146 S C 1.984 176.601 174.600 0.028 0.000 1.026 146 S CA 0.831 59.059 58.200 0.047 0.000 0.981 146 S CB -0.213 63.020 63.200 0.056 0.000 0.818 146 S HN 0.348 nan 8.310 nan 0.000 0.472 147 M N 0.912 120.523 119.600 0.018 0.000 2.159 147 M HA -0.078 4.396 4.480 -0.009 0.000 0.263 147 M C 2.417 178.724 176.300 0.012 0.000 1.063 147 M CA 1.345 56.654 55.300 0.015 0.000 1.110 147 M CB -0.476 32.116 32.600 -0.013 0.000 1.374 147 M HN 0.393 nan 8.290 nan 0.000 0.411 148 A N -0.325 122.497 122.820 0.004 0.000 1.929 148 A HA -0.096 4.219 4.320 -0.009 0.000 0.216 148 A C 2.157 179.759 177.584 0.029 0.000 1.176 148 A CA 1.834 53.876 52.037 0.008 0.000 0.628 148 A CB -0.964 18.023 19.000 -0.023 0.000 0.816 148 A HN 0.397 nan 8.150 nan 0.000 0.444 149 T N 0.339 114.915 114.554 0.036 0.000 2.867 149 T HA 0.006 4.351 4.350 -0.009 0.000 0.268 149 T C 1.324 176.057 174.700 0.054 0.000 1.057 149 T CA 1.060 63.195 62.100 0.058 0.000 1.136 149 T CB -0.263 68.646 68.868 0.068 0.000 0.874 149 T HN 0.338 nan 8.240 nan 0.000 0.466 150 L N 0.488 121.739 121.223 0.048 0.000 2.629 150 L HA 0.295 4.630 4.340 -0.009 0.000 0.230 150 L C 1.640 178.545 176.870 0.059 0.000 1.151 150 L CA -0.058 54.812 54.840 0.050 0.000 0.924 150 L CB -0.430 41.658 42.059 0.048 0.000 1.137 150 L HN 0.397 nan 8.230 nan 0.000 0.457 151 G N 1.109 109.947 108.800 0.065 0.000 2.249 151 G HA2 -0.287 3.667 3.960 -0.009 0.000 0.273 151 G HA3 -0.287 3.667 3.960 -0.009 0.000 0.273 151 G C 0.122 175.077 174.900 0.091 0.000 1.036 151 G CA 0.053 45.210 45.100 0.094 0.000 0.824 151 G HN 0.289 nan 8.290 nan 0.000 0.504 152 L N -0.154 121.094 121.223 0.041 0.000 2.350 152 L HA 0.605 4.939 4.340 -0.009 0.000 0.275 152 L C 1.225 177.991 176.870 -0.173 0.000 1.099 152 L CA -0.355 54.464 54.840 -0.035 0.000 0.808 152 L CB 1.583 43.635 42.059 -0.011 0.000 1.149 152 L HN 0.250 nan 8.230 nan 0.000 0.442 153 A N 3.090 125.667 122.820 -0.406 0.000 3.026 153 A HA 0.544 4.859 4.320 -0.009 0.000 0.272 153 A C 0.345 177.591 177.584 -0.563 0.000 1.782 153 A CA -0.155 51.348 52.037 -0.891 0.000 1.451 153 A CB -0.685 17.663 19.000 -1.087 0.000 1.081 153 A HN 0.701 nan 8.150 nan 0.000 0.611 154 A N 1.387 123.933 122.820 -0.457 0.000 2.340 154 A HA 0.787 5.102 4.320 -0.009 0.000 0.331 154 A C -0.994 176.341 177.584 -0.415 0.000 1.140 154 A CA -0.453 51.373 52.037 -0.351 0.000 0.801 154 A CB 0.725 19.590 19.000 -0.226 0.000 1.234 154 A HN 0.610 nan 8.150 nan 0.000 0.469 155 Y N 0.300 120.533 120.300 -0.112 0.000 2.361 155 Y HA 0.540 5.085 4.550 -0.008 0.000 0.337 155 Y C 0.837 176.813 175.900 0.126 0.000 0.965 155 Y CA -0.506 57.597 58.100 0.005 0.000 1.091 155 Y CB 2.444 40.999 38.460 0.158 0.000 1.182 155 Y HN 0.831 nan 8.280 nan 0.000 0.450 156 G N 2.210 111.076 108.800 0.110 0.000 2.332 156 G HA2 0.477 4.431 3.960 -0.009 0.000 0.310 156 G HA3 0.477 4.431 3.960 -0.009 0.000 0.310 156 G C -1.815 173.094 174.900 0.015 0.000 1.123 156 G CA -0.296 44.901 45.100 0.163 0.000 0.873 156 G HN 0.514 nan 8.290 nan 0.000 0.460 157 Y N 0.926 121.460 120.300 0.389 0.000 2.361 157 Y HA 0.636 5.181 4.550 -0.009 0.000 0.337 157 Y C 0.737 176.950 175.900 0.521 0.000 0.965 157 Y CA 0.166 58.466 58.100 0.333 0.000 1.091 157 Y CB 2.689 41.369 38.460 0.367 0.000 1.182 157 Y HN 0.880 nan 8.280 nan 0.000 0.450 158 G N 2.296 111.430 108.800 0.556 0.000 2.772 158 G HA2 0.605 4.560 3.960 -0.009 0.000 0.284 158 G HA3 0.605 4.560 3.960 -0.009 0.000 0.284 158 G C -1.732 173.404 174.900 0.393 0.000 1.217 158 G CA -0.807 44.633 45.100 0.567 0.000 0.831 158 G HN 0.422 nan 8.290 nan 0.000 0.523 159 I N 0.506 121.197 120.570 0.201 0.000 2.474 159 I HA 0.439 4.604 4.170 -0.009 0.000 0.294 159 I C 0.186 176.202 176.117 -0.169 0.000 1.005 159 I CA -0.734 60.577 61.300 0.018 0.000 1.113 159 I CB 2.313 40.151 38.000 -0.270 0.000 1.289 159 I HN 0.367 nan 8.210 nan 0.000 0.436 160 R N 5.951 126.455 120.500 0.007 0.000 2.608 160 R HA 0.240 4.575 4.340 -0.009 0.000 0.277 160 R C -1.272 175.082 176.300 0.090 0.000 1.341 160 R CA -0.439 55.696 56.100 0.059 0.000 1.199 160 R CB -0.029 30.277 30.300 0.010 0.000 1.156 160 R HN 0.388 nan 8.270 nan 0.000 0.558 161 Y N 1.539 121.997 120.300 0.264 0.000 2.526 161 Y HA -0.074 4.471 4.550 -0.009 0.000 0.330 161 Y C 1.565 177.651 175.900 0.311 0.000 1.156 161 Y CA 0.045 58.293 58.100 0.247 0.000 1.419 161 Y CB 0.838 39.416 38.460 0.198 0.000 1.250 161 Y HN 0.596 nan 8.280 nan 0.000 0.540 162 E N 2.108 122.512 120.200 0.340 0.000 2.152 162 E HA -0.062 4.283 4.350 -0.009 0.000 0.192 162 E C -0.737 175.766 176.600 -0.162 0.000 0.983 162 E CA 0.715 57.128 56.400 0.022 0.000 0.818 162 E CB 0.177 29.838 29.700 -0.065 0.000 0.758 162 E HN 0.495 nan 8.360 nan 0.000 0.467 163 F N -0.261 119.905 119.950 0.360 0.000 2.460 163 F HA 0.434 4.956 4.527 -0.009 0.000 0.341 163 F C 0.772 176.653 175.800 0.136 0.000 1.130 163 F CA -0.827 57.339 58.000 0.277 0.000 0.962 163 F CB 1.827 40.919 39.000 0.154 0.000 1.171 163 F HN -0.100 nan 8.300 nan 0.000 0.436 164 G N 1.907 110.798 108.800 0.153 0.000 2.546 164 G HA2 0.325 4.280 3.960 -0.009 0.000 0.239 164 G HA3 0.325 4.280 3.960 -0.009 0.000 0.239 164 G C -0.494 174.354 174.900 -0.087 0.000 1.476 164 G CA -0.637 44.398 45.100 -0.107 0.000 1.064 164 G HN 0.535 nan 8.290 nan 0.000 0.561 165 I N 0.946 121.384 120.570 -0.220 0.000 2.683 165 I HA 0.228 4.393 4.170 -0.009 0.000 0.286 165 I C 0.528 176.552 176.117 -0.154 0.000 1.175 165 I CA -1.151 60.002 61.300 -0.245 0.000 1.429 165 I CB -0.238 37.519 38.000 -0.405 0.000 1.371 165 I HN 0.331 nan 8.210 nan 0.000 0.569 166 F N 6.488 126.447 119.950 0.015 0.000 2.589 166 F HA 0.248 4.770 4.527 -0.008 0.000 0.352 166 F C 0.425 176.274 175.800 0.082 0.000 1.168 166 F CA -0.520 57.514 58.000 0.056 0.000 1.353 166 F CB -0.298 38.723 39.000 0.036 0.000 1.116 166 F HN 0.429 nan 8.300 nan 0.000 0.608 167 N N 2.354 121.247 118.700 0.322 0.000 2.488 167 N HA 0.069 4.804 4.740 -0.009 0.000 0.274 167 N C -0.881 174.873 175.510 0.408 0.000 1.111 167 N CA -0.329 52.874 53.050 0.255 0.000 0.974 167 N CB 1.264 39.887 38.487 0.227 0.000 1.089 167 N HN 0.756 nan 8.380 nan 0.000 0.465 168 Q N 2.308 122.312 119.800 0.341 0.000 2.278 168 Q HA 0.234 4.569 4.340 -0.009 0.000 0.257 168 Q C -1.009 175.159 176.000 0.281 0.000 0.928 168 Q CA -0.314 55.724 55.803 0.392 0.000 0.932 168 Q CB 0.817 29.789 28.738 0.390 0.000 1.221 168 Q HN 0.335 nan 8.270 nan 0.000 0.434 169 K N 3.853 124.392 120.400 0.232 0.000 2.259 169 K HA 0.498 4.812 4.320 -0.009 0.000 0.252 169 K C -0.835 175.854 176.600 0.148 0.000 0.936 169 K CA -0.941 55.460 56.287 0.190 0.000 0.810 169 K CB 1.565 34.162 32.500 0.162 0.000 1.143 169 K HN 0.564 nan 8.250 nan 0.000 0.427 170 I N 2.663 123.309 120.570 0.127 0.000 2.330 170 I HA 0.224 4.389 4.170 -0.009 0.000 0.289 170 I C -0.476 175.688 176.117 0.078 0.000 1.001 170 I CA -0.661 60.679 61.300 0.066 0.000 1.193 170 I CB 0.767 38.776 38.000 0.015 0.000 1.345 170 I HN 0.584 nan 8.210 nan 0.000 0.461 171 C N 3.980 123.337 119.300 0.095 0.000 2.322 171 C HA 0.599 5.054 4.460 -0.009 0.000 0.324 171 C C 1.172 176.255 174.990 0.155 0.000 1.249 171 C CA -0.481 58.601 59.018 0.106 0.000 1.453 171 C CB 0.505 28.303 27.740 0.097 0.000 2.145 171 C HN 1.090 nan 8.230 nan 0.000 0.466 172 G N 2.273 111.141 108.800 0.113 0.000 2.203 172 G HA2 0.114 4.069 3.960 -0.009 0.000 0.263 172 G HA3 0.114 4.069 3.960 -0.009 0.000 0.263 172 G C 1.073 176.013 174.900 0.067 0.000 1.012 172 G CA 0.954 46.138 45.100 0.140 0.000 0.749 172 G HN 2.406 nan 8.290 nan 0.000 0.512 173 G N -2.984 105.786 108.800 -0.050 0.000 2.176 173 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.253 173 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.253 173 G C 0.310 174.963 174.900 -0.412 0.000 0.979 173 G CA 0.653 45.594 45.100 -0.265 0.000 0.641 173 G HN 1.203 nan 8.290 nan 0.000 0.530 174 W N 0.595 121.831 121.300 -0.107 0.000 2.578 174 W HA 0.675 5.330 4.660 -0.008 0.000 0.346 174 W C 0.558 177.012 176.519 -0.108 0.000 1.075 174 W CA -0.925 56.351 57.345 -0.114 0.000 1.233 174 W CB 0.904 30.317 29.460 -0.078 0.000 1.358 174 W HN 0.228 nan 8.180 nan 0.000 0.574 175 Q N 2.950 122.837 119.800 0.144 0.000 2.304 175 Q HA 0.297 4.632 4.340 -0.009 0.000 0.260 175 Q C -0.663 175.382 176.000 0.076 0.000 0.965 175 Q CA 0.070 55.921 55.803 0.080 0.000 0.898 175 Q CB 0.583 29.356 28.738 0.060 0.000 1.196 175 Q HN 0.310 nan 8.270 nan 0.000 0.402 176 M N 3.118 122.758 119.600 0.067 0.000 2.393 176 M HA 0.399 4.874 4.480 -0.009 0.000 0.316 176 M C -1.132 175.170 176.300 0.003 0.000 1.087 176 M CA -0.672 54.640 55.300 0.020 0.000 0.937 176 M CB 1.823 34.451 32.600 0.047 0.000 1.668 176 M HN 0.617 nan 8.290 nan 0.000 0.438 177 E N 1.694 121.828 120.200 -0.110 0.000 2.191 177 E HA 0.546 4.890 4.350 -0.009 0.000 0.274 177 E C -0.799 175.792 176.600 -0.016 0.000 0.948 177 E CA -0.623 55.679 56.400 -0.164 0.000 0.802 177 E CB 1.786 31.124 29.700 -0.604 0.000 1.137 177 E HN 0.533 nan 8.360 nan 0.000 0.397 178 E N 0.549 120.819 120.200 0.118 0.000 2.331 178 E HA 0.698 5.042 4.350 -0.009 0.000 0.275 178 E C -1.169 175.534 176.600 0.172 0.000 0.895 178 E CA -1.485 54.981 56.400 0.110 0.000 0.753 178 E CB 1.393 31.164 29.700 0.119 0.000 1.216 178 E HN 0.471 nan 8.360 nan 0.000 0.434 179 A N 2.207 125.096 122.820 0.115 0.000 2.567 179 A HA 0.034 4.349 4.320 -0.009 0.000 0.240 179 A C -0.035 177.750 177.584 0.335 0.000 1.053 179 A CA 0.421 52.559 52.037 0.169 0.000 0.755 179 A CB -0.052 18.953 19.000 0.007 0.000 0.978 179 A HN 0.676 nan 8.150 nan 0.000 0.507 180 D N 1.762 122.426 120.400 0.440 0.000 2.522 180 D HA 0.202 4.837 4.640 -0.009 0.000 0.218 180 D C -0.354 176.239 176.300 0.488 0.000 1.149 180 D CA -0.223 54.012 54.000 0.391 0.000 0.981 180 D CB 0.264 41.225 40.800 0.270 0.000 1.041 180 D HN 0.419 nan 8.370 nan 0.000 0.518 181 D N 3.409 124.056 120.400 0.411 0.000 2.801 181 D HA -0.034 4.601 4.640 -0.009 0.000 0.232 181 D C 1.290 177.684 176.300 0.157 0.000 1.128 181 D CA -0.543 53.574 54.000 0.195 0.000 1.003 181 D CB -0.198 40.746 40.800 0.239 0.000 1.110 181 D HN 0.512 nan 8.370 nan 0.000 0.477 182 W N 1.659 122.958 121.300 -0.000 0.000 2.468 182 W HA -0.063 4.592 4.660 -0.009 0.000 0.262 182 W C 0.018 176.573 176.519 0.059 0.000 1.241 182 W CA 0.175 57.554 57.345 0.057 0.000 1.232 182 W CB -0.733 28.766 29.460 0.066 0.000 1.124 182 W HN 0.211 nan 8.180 nan 0.000 0.597 183 L N 0.922 121.774 121.223 -0.618 0.000 2.607 183 L HA 0.173 4.508 4.340 -0.009 0.000 0.228 183 L C 2.751 179.448 176.870 -0.288 0.000 1.123 183 L CA -0.032 54.423 54.840 -0.641 0.000 0.890 183 L CB -0.612 40.947 42.059 -0.833 0.000 1.103 183 L HN -0.105 nan 8.230 nan 0.000 0.468 184 R N 0.743 121.128 120.500 -0.192 0.000 2.112 184 R HA -0.249 4.086 4.340 -0.009 0.000 0.242 184 R C 1.434 177.560 176.300 -0.291 0.000 1.137 184 R CA 2.222 58.175 56.100 -0.245 0.000 0.944 184 R CB -0.286 29.839 30.300 -0.293 0.000 0.857 184 R HN 0.288 nan 8.270 nan 0.000 0.435 185 Y N -0.244 120.068 120.300 0.020 0.000 2.466 185 Y HA 0.309 4.854 4.550 -0.009 0.000 0.272 185 Y C 0.848 176.745 175.900 -0.004 0.000 1.169 185 Y CA 0.548 58.671 58.100 0.038 0.000 1.285 185 Y CB 0.695 39.290 38.460 0.226 0.000 1.078 185 Y HN 0.498 nan 8.280 nan 0.000 0.523 186 G N 1.211 110.057 108.800 0.078 0.000 2.690 186 G HA2 -0.220 3.735 3.960 -0.009 0.000 0.686 186 G HA3 -0.220 3.735 3.960 -0.009 0.000 0.686 186 G C -1.235 173.742 174.900 0.127 0.000 1.277 186 G CA -0.834 44.283 45.100 0.029 0.000 0.799 186 G HN 0.238 nan 8.290 nan 0.000 0.613 187 N N 1.357 120.075 118.700 0.030 0.000 2.569 187 N HA 0.544 5.279 4.740 -0.009 0.000 0.254 187 N C -0.531 174.980 175.510 0.002 0.000 1.004 187 N CA -1.906 51.175 53.050 0.051 0.000 0.904 187 N CB 2.006 40.463 38.487 -0.050 0.000 1.165 187 N HN 0.269 nan 8.380 nan 0.000 0.513 188 P HA -0.019 nan 4.420 nan 0.000 0.226 188 P C 0.634 177.625 177.300 -0.516 0.000 1.153 188 P CA 0.798 63.599 63.100 -0.499 0.000 0.777 188 P CB 0.119 31.234 31.700 -0.974 0.000 0.794 189 W N 1.931 123.227 121.300 -0.006 0.000 2.576 189 W HA 0.047 4.702 4.660 -0.008 0.000 0.270 189 W C 1.351 177.892 176.519 0.037 0.000 1.255 189 W CA -0.337 57.001 57.345 -0.013 0.000 1.314 189 W CB -0.244 29.212 29.460 -0.006 0.000 1.101 189 W HN 0.040 nan 8.180 nan 0.000 0.595 190 E N 1.561 121.918 120.200 0.261 0.000 2.283 190 E HA 0.380 4.724 4.350 -0.009 0.000 0.267 190 E C -0.610 176.131 176.600 0.236 0.000 1.045 190 E CA -0.816 55.744 56.400 0.266 0.000 0.884 190 E CB 1.349 31.224 29.700 0.291 0.000 1.106 190 E HN -0.336 nan 8.360 nan 0.000 0.408 191 K N 1.241 121.781 120.400 0.234 0.000 2.640 191 K HA 0.410 4.725 4.320 -0.009 0.000 0.245 191 K C -1.304 175.263 176.600 -0.055 0.000 0.962 191 K CA -0.441 55.910 56.287 0.106 0.000 0.896 191 K CB 1.516 34.082 32.500 0.110 0.000 1.147 191 K HN 0.678 nan 8.250 nan 0.000 0.445 192 A N 3.991 126.691 122.820 -0.199 0.000 2.477 192 A HA 0.382 4.697 4.320 -0.009 0.000 0.246 192 A C -0.212 177.136 177.584 -0.392 0.000 1.078 192 A CA -0.122 51.539 52.037 -0.627 0.000 0.770 192 A CB 0.231 18.811 19.000 -0.699 0.000 1.011 192 A HN 0.648 nan 8.150 nan 0.000 0.494 193 R N 3.086 123.340 120.500 -0.408 0.000 2.886 193 R HA 0.195 4.530 4.340 -0.009 0.000 0.306 193 R C -2.274 173.955 176.300 -0.118 0.000 1.300 193 R CA -1.749 54.182 56.100 -0.281 0.000 1.441 193 R CB 0.503 30.548 30.300 -0.426 0.000 1.328 193 R HN 0.605 nan 8.270 nan 0.000 0.629 194 P HA -0.209 nan 4.420 nan 0.000 0.220 194 P C 0.818 178.176 177.300 0.097 0.000 1.144 194 P CA 1.231 64.328 63.100 -0.004 0.000 0.800 194 P CB 0.378 32.061 31.700 -0.028 0.000 0.772 195 E N -0.692 119.600 120.200 0.152 0.000 2.347 195 E HA -0.116 4.229 4.350 -0.009 0.000 0.196 195 E C 0.664 177.468 176.600 0.341 0.000 1.008 195 E CA 0.719 57.258 56.400 0.231 0.000 0.852 195 E CB -0.738 29.118 29.700 0.261 0.000 0.783 195 E HN 0.254 nan 8.360 nan 0.000 0.505 196 F N 2.039 122.002 119.950 0.021 0.000 2.750 196 F HA 0.264 4.786 4.527 -0.009 0.000 0.297 196 F C 0.347 176.236 175.800 0.148 0.000 1.138 196 F CA -0.664 57.379 58.000 0.072 0.000 1.346 196 F CB 0.082 39.121 39.000 0.066 0.000 0.965 196 F HN -0.289 nan 8.300 nan 0.000 0.514 197 T N 2.876 117.587 114.554 0.263 0.000 2.928 197 T HA 0.388 4.733 4.350 -0.009 0.000 0.305 197 T C 0.112 174.893 174.700 0.136 0.000 1.035 197 T CA 0.405 62.640 62.100 0.226 0.000 1.145 197 T CB 0.572 69.531 68.868 0.151 0.000 0.963 197 T HN 0.009 nan 8.240 nan 0.000 0.545 198 L N 5.234 126.507 121.223 0.083 0.000 2.370 198 L HA 0.539 4.873 4.340 -0.009 0.000 0.266 198 L C -2.247 174.551 176.870 -0.121 0.000 1.002 198 L CA -2.532 52.277 54.840 -0.052 0.000 0.818 198 L CB 2.586 44.556 42.059 -0.150 0.000 1.325 198 L HN 0.399 nan 8.230 nan 0.000 0.418 199 P HA 0.280 nan 4.420 nan 0.000 0.288 199 P C -1.206 175.909 177.300 -0.308 0.000 1.267 199 P CA -0.386 62.590 63.100 -0.206 0.000 0.815 199 P CB 2.153 33.729 31.700 -0.207 0.000 0.989 200 V N 3.927 123.644 119.914 -0.328 0.000 2.540 200 V HA 0.322 4.437 4.120 -0.009 0.000 0.302 200 V C 0.194 176.016 176.094 -0.453 0.000 1.035 200 V CA -0.629 61.463 62.300 -0.346 0.000 0.873 200 V CB 1.512 33.203 31.823 -0.220 0.000 0.992 200 V HN 0.609 nan 8.190 nan 0.000 0.428 201 H N 3.793 122.685 119.070 -0.297 0.000 2.463 201 H HA 0.640 5.191 4.556 -0.009 0.000 0.332 201 H C -1.267 173.765 175.328 -0.493 0.000 1.127 201 H CA -0.155 55.642 56.048 -0.417 0.000 1.238 201 H CB 1.883 31.150 29.762 -0.826 0.000 1.478 201 H HN 0.485 nan 8.280 nan 0.000 0.499 202 F N 0.200 120.197 119.950 0.077 0.000 2.613 202 F HA 0.207 4.729 4.527 -0.009 0.000 0.314 202 F C -0.302 175.599 175.800 0.167 0.000 1.075 202 F CA -0.582 57.464 58.000 0.075 0.000 0.945 202 F CB 1.105 40.046 39.000 -0.097 0.000 1.310 202 F HN 0.530 nan 8.300 nan 0.000 0.467 203 Y N 0.220 120.820 120.300 0.500 0.000 2.904 203 Y HA 0.009 4.554 4.550 -0.009 0.000 0.466 203 Y C 1.297 177.453 175.900 0.426 0.000 1.202 203 Y CA 0.667 58.981 58.100 0.358 0.000 2.492 203 Y CB -1.882 36.720 38.460 0.236 0.000 1.237 203 Y HN 1.318 nan 8.280 nan 0.000 0.633 204 G N 0.553 109.636 108.800 0.472 0.000 2.642 204 G HA2 0.126 4.081 3.960 -0.009 0.000 0.231 204 G HA3 0.126 4.081 3.960 -0.009 0.000 0.231 204 G C -0.619 174.494 174.900 0.355 0.000 1.338 204 G CA 0.733 46.035 45.100 0.337 0.000 0.883 204 G HN 1.354 nan 8.290 nan 0.000 0.570 205 R N -2.422 118.277 120.500 0.332 0.000 2.734 205 R HA 0.729 5.064 4.340 -0.009 0.000 0.271 205 R C -1.347 175.080 176.300 0.212 0.000 1.021 205 R CA -1.003 55.233 56.100 0.225 0.000 0.893 205 R CB 1.446 31.826 30.300 0.134 0.000 1.244 205 R HN 0.863 nan 8.270 nan 0.000 0.464 206 V N 1.016 120.966 119.914 0.061 0.000 2.427 206 V HA 0.352 4.467 4.120 -0.009 0.000 0.286 206 V C -0.173 175.827 176.094 -0.156 0.000 1.034 206 V CA -0.524 61.736 62.300 -0.068 0.000 0.893 206 V CB 1.377 33.085 31.823 -0.192 0.000 0.982 206 V HN 0.690 nan 8.190 nan 0.000 0.452 207 E N 2.867 122.962 120.200 -0.175 0.000 2.171 207 E HA 0.426 4.771 4.350 -0.009 0.000 0.271 207 E C -1.114 175.334 176.600 -0.253 0.000 0.916 207 E CA -0.754 55.557 56.400 -0.147 0.000 0.774 207 E CB 1.172 30.851 29.700 -0.036 0.000 1.128 207 E HN 0.664 nan 8.360 nan 0.000 0.403 208 H N 2.488 121.573 119.070 0.025 0.000 2.661 208 H HA 0.170 4.721 4.556 -0.009 0.000 0.290 208 H C 0.159 175.496 175.328 0.015 0.000 1.082 208 H CA -0.264 55.794 56.048 0.016 0.000 1.234 208 H CB 0.778 30.544 29.762 0.008 0.000 1.387 208 H HN 0.550 nan 8.280 nan 0.000 0.476 209 T N -0.652 113.965 114.554 0.105 0.000 2.880 209 T HA 0.174 4.519 4.350 -0.009 0.000 0.279 209 T C 1.597 176.336 174.700 0.064 0.000 0.990 209 T CA -0.670 61.471 62.100 0.068 0.000 0.938 209 T CB 1.047 69.941 68.868 0.042 0.000 1.206 209 T HN 0.310 nan 8.240 nan 0.000 0.573 210 S N 0.046 115.772 115.700 0.044 0.000 2.374 210 S HA -0.106 4.359 4.470 -0.009 0.000 0.227 210 S C 1.016 175.638 174.600 0.035 0.000 1.037 210 S CA 1.313 59.533 58.200 0.034 0.000 1.024 210 S CB -0.404 62.811 63.200 0.025 0.000 0.861 210 S HN 0.716 nan 8.310 nan 0.000 0.456 211 Q N 0.188 120.011 119.800 0.037 0.000 2.644 211 Q HA 0.545 4.880 4.340 -0.009 0.000 0.245 211 Q C 0.023 176.049 176.000 0.044 0.000 1.064 211 Q CA 0.285 56.109 55.803 0.037 0.000 0.860 211 Q CB 0.633 29.388 28.738 0.029 0.000 1.145 211 Q HN 0.448 nan 8.270 nan 0.000 0.515 212 G N 0.944 109.780 108.800 0.060 0.000 2.730 212 G HA2 0.111 4.066 3.960 -0.009 0.000 0.686 212 G HA3 0.111 4.066 3.960 -0.009 0.000 0.686 212 G C -0.702 174.247 174.900 0.083 0.000 1.343 212 G CA -0.626 44.517 45.100 0.071 0.000 0.826 212 G HN 0.740 nan 8.290 nan 0.000 0.582 213 A N 0.623 123.492 122.820 0.081 0.000 2.286 213 A HA 0.825 5.140 4.320 -0.009 0.000 0.286 213 A C 0.440 178.006 177.584 -0.029 0.000 1.097 213 A CA 0.076 52.111 52.037 -0.004 0.000 0.821 213 A CB 0.828 19.803 19.000 -0.042 0.000 1.076 213 A HN 0.844 nan 8.150 nan 0.000 0.490 214 K N 0.411 120.776 120.400 -0.059 0.000 2.427 214 K HA 0.241 4.556 4.320 -0.009 0.000 0.252 214 K C -1.828 174.814 176.600 0.069 0.000 0.931 214 K CA -0.372 55.919 56.287 0.006 0.000 0.793 214 K CB 2.223 34.725 32.500 0.002 0.000 1.211 214 K HN 0.700 nan 8.250 nan 0.000 0.426 215 W N 5.285 126.509 121.300 -0.127 0.000 2.311 215 W HA 0.349 5.004 4.660 -0.009 0.000 0.317 215 W C -0.705 175.749 176.519 -0.107 0.000 1.065 215 W CA -0.845 56.428 57.345 -0.120 0.000 1.364 215 W CB 0.161 29.539 29.460 -0.137 0.000 1.233 215 W HN 0.354 nan 8.180 nan 0.000 0.409 216 V N 2.623 122.597 119.914 0.100 0.000 3.158 216 V HA 0.604 4.718 4.120 -0.009 0.000 0.315 216 V C 0.030 176.107 176.094 -0.028 0.000 1.148 216 V CA -0.876 61.401 62.300 -0.037 0.000 1.042 216 V CB 1.904 33.730 31.823 0.005 0.000 1.101 216 V HN 0.456 nan 8.190 nan 0.000 0.448 217 D N 0.270 120.652 120.400 -0.030 0.000 2.772 217 D HA -0.143 4.492 4.640 -0.009 0.000 0.233 217 D C 0.563 176.875 176.300 0.020 0.000 1.143 217 D CA 1.454 55.461 54.000 0.012 0.000 0.700 217 D CB -1.524 39.305 40.800 0.048 0.000 1.076 217 D HN 1.258 nan 8.370 nan 0.000 0.430 218 T N -2.948 111.568 114.554 -0.064 0.000 2.874 218 T HA 0.387 4.732 4.350 -0.009 0.000 0.281 218 T C 0.318 175.082 174.700 0.107 0.000 0.994 218 T CA -0.735 61.343 62.100 -0.036 0.000 1.015 218 T CB 2.605 71.275 68.868 -0.330 0.000 1.028 218 T HN 0.156 nan 8.240 nan 0.000 0.523 219 Q N 0.620 120.552 119.800 0.220 0.000 2.241 219 Q HA 0.542 4.877 4.340 -0.009 0.000 0.254 219 Q C -1.457 174.671 176.000 0.213 0.000 0.917 219 Q CA -0.817 55.147 55.803 0.268 0.000 0.919 219 Q CB 1.226 30.220 28.738 0.426 0.000 1.237 219 Q HN 0.626 nan 8.270 nan 0.000 0.434 220 V N 4.131 124.130 119.914 0.142 0.000 2.459 220 V HA 0.474 4.589 4.120 -0.009 0.000 0.295 220 V C -0.537 175.590 176.094 0.055 0.000 1.029 220 V CA -0.645 61.652 62.300 -0.005 0.000 0.874 220 V CB 1.796 33.564 31.823 -0.091 0.000 0.985 220 V HN 0.593 nan 8.190 nan 0.000 0.438 221 V N 5.867 125.823 119.914 0.071 0.000 2.588 221 V HA 0.489 4.604 4.120 -0.009 0.000 0.304 221 V C -0.230 175.923 176.094 0.097 0.000 1.042 221 V CA -0.602 61.758 62.300 0.099 0.000 0.877 221 V CB 1.978 33.960 31.823 0.264 0.000 0.996 221 V HN 0.641 nan 8.190 nan 0.000 0.425 222 L N 3.542 124.812 121.223 0.078 0.000 2.375 222 L HA 0.759 5.094 4.340 -0.009 0.000 0.271 222 L C 0.440 177.461 176.870 0.252 0.000 1.107 222 L CA -0.366 54.533 54.840 0.098 0.000 0.806 222 L CB 1.361 43.459 42.059 0.066 0.000 1.146 222 L HN 0.749 nan 8.230 nan 0.000 0.447 223 A N 4.846 127.761 122.820 0.160 0.000 2.267 223 A HA 0.575 4.890 4.320 -0.009 0.000 0.315 223 A C -0.507 177.334 177.584 0.430 0.000 1.297 223 A CA -0.462 51.705 52.037 0.216 0.000 0.865 223 A CB 0.918 19.596 19.000 -0.538 0.000 1.165 223 A HN 0.781 nan 8.150 nan 0.000 0.513 224 M N 6.285 126.200 119.600 0.525 0.000 2.129 224 M HA 0.438 4.913 4.480 -0.009 0.000 0.348 224 M C -2.586 173.985 176.300 0.452 0.000 1.116 224 M CA -2.121 53.437 55.300 0.430 0.000 1.022 224 M CB 2.006 34.789 32.600 0.305 0.000 1.599 224 M HN 0.385 nan 8.290 nan 0.000 0.449 225 P HA 0.252 nan 4.420 nan 0.000 0.286 225 P C -1.959 175.255 177.300 -0.145 0.000 1.261 225 P CA -0.114 62.880 63.100 -0.177 0.000 0.821 225 P CB 0.766 32.106 31.700 -0.599 0.000 1.013 226 Y N 0.470 120.667 120.300 -0.172 0.000 2.361 226 Y HA 0.319 4.864 4.550 -0.009 0.000 0.337 226 Y C 0.127 175.973 175.900 -0.091 0.000 0.965 226 Y CA -0.291 57.764 58.100 -0.075 0.000 1.091 226 Y CB 1.468 39.929 38.460 0.001 0.000 1.182 226 Y HN 0.219 nan 8.280 nan 0.000 0.450 227 D N 1.872 122.322 120.400 0.083 0.000 2.168 227 D HA 0.433 5.068 4.640 -0.009 0.000 0.246 227 D C -0.618 175.859 176.300 0.295 0.000 1.050 227 D CA -0.224 53.867 54.000 0.151 0.000 0.857 227 D CB 1.782 42.679 40.800 0.162 0.000 1.169 227 D HN 0.364 nan 8.370 nan 0.000 0.453 228 T N 3.150 117.797 114.554 0.155 0.000 2.824 228 T HA 0.472 4.817 4.350 -0.009 0.000 0.282 228 T C -2.528 172.004 174.700 -0.280 0.000 0.993 228 T CA -1.440 60.664 62.100 0.006 0.000 0.967 228 T CB 2.084 70.955 68.868 0.005 0.000 0.960 228 T HN 0.184 nan 8.240 nan 0.000 0.441 229 P HA 0.335 nan 4.420 nan 0.000 0.279 229 P C -1.043 175.915 177.300 -0.569 0.000 1.239 229 P CA -0.411 62.014 63.100 -1.125 0.000 0.789 229 P CB 0.928 31.676 31.700 -1.586 0.000 0.933 230 V N 5.125 124.765 119.914 -0.456 0.000 2.340 230 V HA 0.262 4.377 4.120 -0.009 0.000 0.277 230 V C -2.017 173.938 176.094 -0.232 0.000 1.017 230 V CA -1.897 60.233 62.300 -0.282 0.000 0.820 230 V CB 1.394 33.098 31.823 -0.197 0.000 1.028 230 V HN 0.560 nan 8.190 nan 0.000 0.436 231 P HA 0.275 nan 4.420 nan 0.000 0.280 231 P C 0.298 177.546 177.300 -0.087 0.000 1.244 231 P CA 0.288 63.297 63.100 -0.153 0.000 0.784 231 P CB 1.787 33.392 31.700 -0.157 0.000 0.913 232 G N 2.093 110.861 108.800 -0.053 0.000 2.562 232 G HA2 0.173 4.127 3.960 -0.009 0.000 0.275 232 G HA3 0.173 4.127 3.960 -0.009 0.000 0.275 232 G C -1.228 173.685 174.900 0.022 0.000 1.196 232 G CA -0.636 44.463 45.100 -0.002 0.000 0.908 232 G HN 0.521 nan 8.290 nan 0.000 0.524 233 Y N 1.042 121.307 120.300 -0.059 0.000 2.624 233 Y HA 0.235 4.780 4.550 -0.009 0.000 0.354 233 Y C 1.368 177.234 175.900 -0.057 0.000 1.051 233 Y CA -0.179 57.882 58.100 -0.065 0.000 1.377 233 Y CB -0.083 38.336 38.460 -0.068 0.000 1.168 233 Y HN 0.717 nan 8.280 nan 0.000 0.525 234 R N 3.117 123.327 120.500 -0.482 0.000 3.502 234 R HA -0.327 4.008 4.340 -0.009 0.000 0.266 234 R C -0.019 176.152 176.300 -0.214 0.000 1.077 234 R CA 1.343 57.191 56.100 -0.420 0.000 0.718 234 R CB -2.161 27.733 30.300 -0.677 0.000 1.120 234 R HN 0.944 nan 8.270 nan 0.000 0.457 235 N N -0.676 117.949 118.700 -0.125 0.000 2.200 235 N HA 0.053 4.788 4.740 -0.009 0.000 0.224 235 N C -0.122 175.348 175.510 -0.066 0.000 1.179 235 N CA -0.563 52.444 53.050 -0.071 0.000 0.877 235 N CB 0.490 38.962 38.487 -0.025 0.000 1.072 235 N HN 0.086 nan 8.380 nan 0.000 0.519 236 N N -0.150 118.504 118.700 -0.077 0.000 2.753 236 N HA -0.137 4.598 4.740 -0.009 0.000 0.251 236 N C -0.888 174.587 175.510 -0.059 0.000 1.097 236 N CA 0.621 53.632 53.050 -0.065 0.000 0.786 236 N CB -1.248 37.201 38.487 -0.064 0.000 1.137 236 N HN 0.197 nan 8.380 nan 0.000 0.566 237 V N 1.133 121.018 119.914 -0.049 0.000 2.465 237 V HA 0.441 4.555 4.120 -0.009 0.000 0.279 237 V C 0.623 176.693 176.094 -0.040 0.000 1.045 237 V CA -0.457 61.823 62.300 -0.033 0.000 0.938 237 V CB 2.157 33.987 31.823 0.012 0.000 0.986 237 V HN -0.039 nan 8.190 nan 0.000 0.467 238 V N 5.260 125.155 119.914 -0.032 0.000 2.462 238 V HA 0.430 4.545 4.120 -0.009 0.000 0.288 238 V C -0.163 175.922 176.094 -0.015 0.000 1.020 238 V CA -0.850 61.399 62.300 -0.085 0.000 0.857 238 V CB 1.492 33.241 31.823 -0.123 0.000 1.013 238 V HN 0.849 nan 8.190 nan 0.000 0.431 239 N N 1.932 120.596 118.700 -0.061 0.000 2.448 239 N HA 0.579 5.313 4.740 -0.009 0.000 0.274 239 N C -0.046 175.446 175.510 -0.031 0.000 1.239 239 N CA -0.307 52.732 53.050 -0.018 0.000 0.982 239 N CB 1.269 39.707 38.487 -0.082 0.000 1.199 239 N HN 0.574 nan 8.380 nan 0.000 0.576 240 T N 0.708 115.257 114.554 -0.008 0.000 2.856 240 T HA 0.438 4.783 4.350 -0.009 0.000 0.283 240 T C -0.240 174.416 174.700 -0.073 0.000 1.008 240 T CA -0.525 61.625 62.100 0.083 0.000 0.997 240 T CB 1.142 70.175 68.868 0.275 0.000 0.992 240 T HN 0.328 nan 8.240 nan 0.000 0.454 241 M N 3.624 123.148 119.600 -0.127 0.000 2.072 241 M HA 0.515 4.990 4.480 -0.009 0.000 0.331 241 M C -0.602 175.544 176.300 -0.257 0.000 1.004 241 M CA -0.740 54.394 55.300 -0.276 0.000 0.952 241 M CB 0.819 33.203 32.600 -0.361 0.000 1.511 241 M HN 0.481 nan 8.290 nan 0.000 0.422 242 R N 5.723 125.976 120.500 -0.412 0.000 2.295 242 R HA 0.644 4.978 4.340 -0.009 0.000 0.324 242 R C -1.924 174.118 176.300 -0.429 0.000 0.968 242 R CA -0.416 55.407 56.100 -0.463 0.000 0.837 242 R CB 0.902 30.774 30.300 -0.713 0.000 1.133 242 R HN 0.824 nan 8.270 nan 0.000 0.450 243 L N 5.025 126.079 121.223 -0.282 0.000 2.341 243 L HA 0.504 4.839 4.340 -0.009 0.000 0.278 243 L C -0.831 175.977 176.870 -0.103 0.000 1.005 243 L CA -0.926 53.840 54.840 -0.124 0.000 0.818 243 L CB 1.520 43.592 42.059 0.022 0.000 1.259 243 L HN 0.589 nan 8.230 nan 0.000 0.418 244 W N 1.767 123.190 121.300 0.205 0.000 2.316 244 W HA 0.497 5.152 4.660 -0.009 0.000 0.321 244 W C 0.536 177.275 176.519 0.367 0.000 1.203 244 W CA -0.217 57.270 57.345 0.237 0.000 1.214 244 W CB 1.460 30.929 29.460 0.015 0.000 1.169 244 W HN 0.340 nan 8.180 nan 0.000 0.561 245 S N 1.854 117.951 115.700 0.662 0.000 2.500 245 S HA 0.769 5.234 4.470 -0.009 0.000 0.301 245 S C -0.492 174.435 174.600 0.545 0.000 1.092 245 S CA -0.732 57.756 58.200 0.479 0.000 1.030 245 S CB 0.652 64.058 63.200 0.343 0.000 1.031 245 S HN 0.548 nan 8.310 nan 0.000 0.483 246 A N 4.876 127.862 122.820 0.276 0.000 2.366 246 A HA 0.679 4.994 4.320 -0.009 0.000 0.272 246 A C -0.329 177.313 177.584 0.097 0.000 1.135 246 A CA -0.281 51.819 52.037 0.104 0.000 0.804 246 A CB 0.282 19.076 19.000 -0.342 0.000 1.064 246 A HN 0.660 nan 8.150 nan 0.000 0.499 247 K N 1.101 121.562 120.400 0.102 0.000 2.468 247 K HA 0.622 4.937 4.320 -0.009 0.000 0.252 247 K C -0.508 176.041 176.600 -0.085 0.000 0.932 247 K CA -0.403 55.901 56.287 0.029 0.000 0.794 247 K CB 2.204 34.755 32.500 0.086 0.000 1.241 247 K HN 0.791 nan 8.250 nan 0.000 0.428 248 A N 4.001 126.694 122.820 -0.211 0.000 2.354 248 A HA 0.520 4.835 4.320 -0.009 0.000 0.269 248 A C -2.014 175.417 177.584 -0.254 0.000 1.109 248 A CA -1.081 50.662 52.037 -0.490 0.000 0.800 248 A CB -0.242 18.231 19.000 -0.877 0.000 1.045 248 A HN 0.394 nan 8.150 nan 0.000 0.489 249 P HA 0.119 nan 4.420 nan 0.000 0.274 249 P C -0.096 177.252 177.300 0.080 0.000 1.256 249 P CA -0.289 62.805 63.100 -0.010 0.000 0.795 249 P CB 0.640 32.363 31.700 0.039 0.000 1.038 250 N N -0.017 118.739 118.700 0.092 0.000 2.457 250 N HA -0.104 4.631 4.740 -0.009 0.000 0.180 250 N C 0.959 176.557 175.510 0.147 0.000 1.050 250 N CA 0.394 53.515 53.050 0.117 0.000 0.906 250 N CB -0.112 38.426 38.487 0.085 0.000 0.968 250 N HN 0.573 nan 8.380 nan 0.000 0.445 251 D N 0.585 121.073 120.400 0.146 0.000 2.349 251 D HA -0.127 4.508 4.640 -0.009 0.000 0.215 251 D C 0.298 176.698 176.300 0.167 0.000 1.016 251 D CA -0.348 53.730 54.000 0.130 0.000 0.870 251 D CB -0.689 40.170 40.800 0.099 0.000 0.917 251 D HN 0.152 nan 8.370 nan 0.000 0.524 252 F N 2.021 121.991 119.950 0.033 0.000 2.548 252 F HA 0.057 4.579 4.527 -0.009 0.000 0.403 252 F C 1.669 177.481 175.800 0.019 0.000 1.004 252 F CA 1.941 59.957 58.000 0.027 0.000 1.177 252 F CB -0.441 38.575 39.000 0.027 0.000 0.974 252 F HN 0.371 nan 8.300 nan 0.000 0.541 253 N N 0.737 119.184 118.700 -0.421 0.000 2.828 253 N HA -0.168 4.567 4.740 -0.009 0.000 0.248 253 N C -0.538 174.889 175.510 -0.140 0.000 1.044 253 N CA 1.459 54.281 53.050 -0.380 0.000 0.851 253 N CB -2.405 35.773 38.487 -0.515 0.000 1.136 253 N HN 1.556 nan 8.380 nan 0.000 0.572 262 Y N 1.139 121.433 120.300 -0.010 0.000 2.097 262 Y HA -0.085 4.459 4.550 -0.009 0.000 0.282 262 Y C 2.755 178.656 175.900 0.001 0.000 1.152 262 Y CA 2.388 60.485 58.100 -0.004 0.000 1.136 262 Y CB -0.122 38.339 38.460 0.001 0.000 0.975 262 Y HN 0.218 nan 8.280 nan 0.000 0.498 263 I N 0.449 120.950 120.570 -0.115 0.000 2.127 263 I HA -0.315 3.850 4.170 -0.009 0.000 0.241 263 I C 2.399 178.407 176.117 -0.183 0.000 1.075 263 I CA 1.850 63.030 61.300 -0.199 0.000 1.334 263 I CB -1.522 36.466 38.000 -0.020 0.000 1.040 263 I HN 0.332 nan 8.210 nan 0.000 0.405 264 Q N 1.060 120.798 119.800 -0.102 0.000 2.135 264 Q HA -0.117 4.218 4.340 -0.009 0.000 0.204 264 Q C 2.227 178.160 176.000 -0.112 0.000 0.981 264 Q CA 2.190 57.944 55.803 -0.083 0.000 0.856 264 Q CB -0.370 28.336 28.738 -0.052 0.000 0.902 264 Q HN 0.484 nan 8.270 nan 0.000 0.425 265 A N -0.836 121.896 122.820 -0.148 0.000 1.902 265 A HA -0.136 4.179 4.320 -0.009 0.000 0.217 265 A C 2.242 179.735 177.584 -0.151 0.000 1.181 265 A CA 1.693 53.630 52.037 -0.167 0.000 0.623 265 A CB -0.736 18.175 19.000 -0.149 0.000 0.818 265 A HN 0.268 nan 8.150 nan 0.000 0.443 266 V N 0.090 119.871 119.914 -0.221 0.000 2.453 266 V HA -0.197 3.918 4.120 -0.009 0.000 0.247 266 V C 2.487 178.553 176.094 -0.046 0.000 1.048 266 V CA 1.697 63.907 62.300 -0.150 0.000 1.049 266 V CB -0.679 30.966 31.823 -0.297 0.000 0.672 266 V HN 0.560 nan 8.190 nan 0.000 0.457 267 L N -0.308 120.876 121.223 -0.065 0.000 2.141 267 L HA -0.120 4.214 4.340 -0.009 0.000 0.209 267 L C 1.973 178.859 176.870 0.027 0.000 1.094 267 L CA 1.168 55.998 54.840 -0.016 0.000 0.763 267 L CB -0.656 41.386 42.059 -0.028 0.000 0.908 267 L HN 0.313 nan 8.230 nan 0.000 0.437 268 D N 0.118 120.529 120.400 0.018 0.000 2.378 268 D HA -0.078 4.557 4.640 -0.009 0.000 0.227 268 D C 2.105 178.555 176.300 0.250 0.000 1.012 268 D CA 0.457 54.492 54.000 0.057 0.000 0.905 268 D CB -0.001 40.770 40.800 -0.047 0.000 0.895 268 D HN 0.240 nan 8.370 nan 0.000 0.532 269 R N 0.389 121.082 120.500 0.321 0.000 2.152 269 R HA -0.034 4.301 4.340 -0.009 0.000 0.232 269 R C 1.601 178.015 176.300 0.189 0.000 1.117 269 R CA 0.587 56.969 56.100 0.471 0.000 0.981 269 R CB -0.060 30.382 30.300 0.235 0.000 0.870 269 R HN 0.172 nan 8.270 nan 0.000 0.451 270 N N 0.924 119.702 118.700 0.130 0.000 2.364 270 N HA -0.141 4.594 4.740 -0.009 0.000 0.183 270 N C 1.754 177.307 175.510 0.072 0.000 1.022 270 N CA 0.969 54.063 53.050 0.074 0.000 0.883 270 N CB -0.074 38.449 38.487 0.059 0.000 0.965 270 N HN 0.279 nan 8.380 nan 0.000 0.438 271 L N 0.571 121.867 121.223 0.122 0.000 2.017 271 L HA -0.132 4.203 4.340 -0.009 0.000 0.208 271 L C 2.452 179.363 176.870 0.070 0.000 1.073 271 L CA 1.349 56.254 54.840 0.108 0.000 0.745 271 L CB -0.540 41.612 42.059 0.154 0.000 0.894 271 L HN 0.122 nan 8.230 nan 0.000 0.432 272 A N -0.204 122.654 122.820 0.064 0.000 1.970 272 A HA -0.125 4.190 4.320 -0.009 0.000 0.216 272 A C 2.039 179.550 177.584 -0.122 0.000 1.170 272 A CA 0.982 52.975 52.037 -0.073 0.000 0.645 272 A CB -0.277 18.555 19.000 -0.281 0.000 0.816 272 A HN 0.459 nan 8.150 nan 0.000 0.447 273 E N 0.208 120.355 120.200 -0.088 0.000 2.482 273 E HA -0.053 4.291 4.350 -0.009 0.000 0.196 273 E C 0.804 177.383 176.600 -0.036 0.000 1.047 273 E CA 0.078 56.438 56.400 -0.067 0.000 0.869 273 E CB -0.115 29.568 29.700 -0.027 0.000 0.836 273 E HN 0.434 nan 8.360 nan 0.000 0.520 274 N N 1.011 119.698 118.700 -0.020 0.000 2.520 274 N HA -0.058 4.676 4.740 -0.009 0.000 0.185 274 N C 1.582 177.091 175.510 -0.001 0.000 1.068 274 N CA 0.536 53.594 53.050 0.014 0.000 0.911 274 N CB 0.014 38.514 38.487 0.021 0.000 0.961 274 N HN 0.278 nan 8.380 nan 0.000 0.446 275 I N 0.369 120.879 120.570 -0.099 0.000 2.208 275 I HA -0.242 3.923 4.170 -0.009 0.000 0.245 275 I C 1.416 177.497 176.117 -0.060 0.000 1.097 275 I CA 1.217 62.424 61.300 -0.155 0.000 1.363 275 I CB -0.191 37.541 38.000 -0.446 0.000 1.051 275 I HN 0.119 nan 8.210 nan 0.000 0.413 276 S N -0.461 115.202 115.700 -0.062 0.000 2.583 276 S HA 0.182 4.647 4.470 -0.009 0.000 0.239 276 S C 1.469 176.208 174.600 0.232 0.000 0.966 276 S CA -0.525 57.731 58.200 0.093 0.000 0.973 276 S CB 0.249 63.489 63.200 0.066 0.000 0.794 276 S HN 0.210 nan 8.310 nan 0.000 0.463 277 R N 1.290 121.925 120.500 0.225 0.000 2.062 277 R HA 0.281 4.616 4.340 -0.009 0.000 0.229 277 R C 0.422 176.972 176.300 0.418 0.000 1.128 277 R CA 1.126 57.403 56.100 0.297 0.000 0.960 277 R CB -0.214 30.213 30.300 0.213 0.000 0.855 277 R HN 0.400 nan 8.270 nan 0.000 0.432 278 V N 0.188 120.291 119.914 0.315 0.000 3.012 278 V HA 0.370 4.485 4.120 -0.009 0.000 0.307 278 V C -1.658 174.378 176.094 -0.096 0.000 1.166 278 V CA -1.381 61.026 62.300 0.178 0.000 0.974 278 V CB 1.804 33.655 31.823 0.047 0.000 1.040 278 V HN 0.145 nan 8.190 nan 0.000 0.428 279 L N 6.402 127.357 121.223 -0.447 0.000 2.367 279 L HA 0.507 4.842 4.340 -0.009 0.000 0.275 279 L C -0.878 175.824 176.870 -0.279 0.000 1.129 279 L CA 0.402 54.775 54.840 -0.779 0.000 0.839 279 L CB 0.597 42.116 42.059 -0.901 0.000 1.133 279 L HN 0.684 nan 8.230 nan 0.000 0.453 280 Y N 6.719 126.930 120.300 -0.149 0.000 2.544 280 Y HA 0.217 4.762 4.550 -0.009 0.000 0.330 280 Y C -1.434 174.463 175.900 -0.005 0.000 1.136 280 Y CA -1.119 56.968 58.100 -0.021 0.000 1.417 280 Y CB 0.454 38.928 38.460 0.022 0.000 1.229 280 Y HN 0.562 nan 8.280 nan 0.000 0.532 281 P HA 0.095 nan 4.420 nan 0.000 0.254 281 P C -0.532 176.913 177.300 0.241 0.000 1.620 281 P CA 0.146 63.358 63.100 0.188 0.000 1.050 281 P CB 0.290 32.182 31.700 0.320 0.000 1.539 282 N N 1.082 119.933 118.700 0.252 0.000 2.322 282 N HA -0.009 4.726 4.740 -0.009 0.000 0.216 282 N C 0.334 176.064 175.510 0.367 0.000 1.144 282 N CA 0.020 53.230 53.050 0.267 0.000 0.830 282 N CB -0.563 38.075 38.487 0.253 0.000 1.034 282 N HN 0.050 nan 8.380 nan 0.000 0.484 283 D N 1.684 122.289 120.400 0.342 0.000 2.792 283 D HA -0.233 4.401 4.640 -0.009 0.000 0.231 283 D C -0.533 176.082 176.300 0.525 0.000 1.160 283 D CA 0.594 54.855 54.000 0.434 0.000 0.697 283 D CB -1.287 39.874 40.800 0.602 0.000 1.070 283 D HN 0.283 nan 8.370 nan 0.000 0.426 284 N N -1.646 117.282 118.700 0.380 0.000 2.747 284 N HA -0.249 4.486 4.740 -0.009 0.000 0.249 284 N C -0.722 174.940 175.510 0.253 0.000 1.107 284 N CA 1.010 54.227 53.050 0.280 0.000 0.707 284 N CB -1.558 37.080 38.487 0.252 0.000 1.054 284 N HN 0.293 nan 8.380 nan 0.000 0.555 285 F N 0.679 120.710 119.950 0.134 0.000 2.404 285 F HA 0.355 4.877 4.527 -0.009 0.000 0.345 285 F C 1.133 176.998 175.800 0.108 0.000 1.110 285 F CA -0.871 57.195 58.000 0.110 0.000 1.130 285 F CB 0.360 39.407 39.000 0.077 0.000 1.129 285 F HN -0.011 nan 8.300 nan 0.000 0.500 286 F N 3.518 123.472 119.950 0.007 0.000 2.612 286 F HA 0.026 4.548 4.527 -0.009 0.000 0.389 286 F C 0.440 176.183 175.800 -0.095 0.000 1.055 286 F CA 0.389 58.326 58.000 -0.105 0.000 1.232 286 F CB 0.204 39.085 39.000 -0.198 0.000 1.044 286 F HN 0.486 nan 8.300 nan 0.000 0.560 287 E N 4.608 124.307 120.200 -0.836 0.000 2.325 287 E HA 0.234 4.579 4.350 -0.009 0.000 0.248 287 E C -0.054 175.884 176.600 -1.105 0.000 0.912 287 E CA -0.570 55.401 56.400 -0.715 0.000 0.782 287 E CB 1.089 30.631 29.700 -0.263 0.000 1.264 287 E HN 0.834 nan 8.360 nan 0.000 0.417 288 G N 4.978 112.979 108.800 -1.332 0.000 2.991 288 G HA2 -0.033 3.922 3.960 -0.009 0.000 0.262 288 G HA3 -0.033 3.922 3.960 -0.009 0.000 0.262 288 G C 0.095 174.929 174.900 -0.109 0.000 0.765 288 G CA 0.010 44.555 45.100 -0.925 0.000 2.051 288 G HN 0.163 nan 8.290 nan 0.000 0.602 289 K N 0.452 120.840 120.400 -0.020 0.000 2.143 289 K HA 0.168 4.483 4.320 -0.009 0.000 0.272 289 K C 1.003 177.745 176.600 0.236 0.000 1.001 289 K CA -0.616 55.744 56.287 0.121 0.000 0.915 289 K CB 2.094 34.653 32.500 0.098 0.000 1.047 289 K HN 0.434 nan 8.250 nan 0.000 0.458 290 E N 1.760 122.066 120.200 0.177 0.000 2.085 290 E HA -0.214 4.131 4.350 -0.009 0.000 0.194 290 E C 1.534 178.171 176.600 0.060 0.000 0.994 290 E CA 1.014 57.475 56.400 0.101 0.000 0.801 290 E CB 0.162 29.922 29.700 0.100 0.000 0.743 290 E HN 0.404 nan 8.360 nan 0.000 0.453 291 L N 1.351 122.649 121.223 0.126 0.000 2.079 291 L HA -0.182 4.153 4.340 -0.009 0.000 0.210 291 L C 2.456 179.427 176.870 0.169 0.000 1.081 291 L CA 1.835 56.766 54.840 0.151 0.000 0.752 291 L CB -0.543 41.671 42.059 0.259 0.000 0.896 291 L HN 0.014 nan 8.230 nan 0.000 0.433 292 R N -0.582 119.979 120.500 0.102 0.000 2.081 292 R HA -0.166 4.169 4.340 -0.009 0.000 0.235 292 R C 2.127 178.474 176.300 0.078 0.000 1.131 292 R CA 1.920 58.012 56.100 -0.014 0.000 0.960 292 R CB -1.025 29.093 30.300 -0.303 0.000 0.856 292 R HN 0.419 nan 8.270 nan 0.000 0.436 293 L N 0.871 122.051 121.223 -0.073 0.000 2.083 293 L HA -0.073 4.262 4.340 -0.009 0.000 0.209 293 L C 1.713 178.531 176.870 -0.088 0.000 1.083 293 L CA 1.891 56.486 54.840 -0.408 0.000 0.752 293 L CB -0.379 41.154 42.059 -0.876 0.000 0.899 293 L HN 0.155 nan 8.230 nan 0.000 0.433 294 K N -0.978 119.417 120.400 -0.008 0.000 2.097 294 K HA -0.191 4.124 4.320 -0.009 0.000 0.206 294 K C 2.075 178.836 176.600 0.269 0.000 1.049 294 K CA 1.739 58.090 56.287 0.106 0.000 0.933 294 K CB -0.175 32.210 32.500 -0.192 0.000 0.717 294 K HN 0.525 nan 8.250 nan 0.000 0.442 295 Q N 0.659 120.583 119.800 0.208 0.000 2.084 295 Q HA -0.188 4.147 4.340 -0.009 0.000 0.202 295 Q C 1.960 178.155 176.000 0.326 0.000 0.978 295 Q CA 1.430 57.409 55.803 0.293 0.000 0.844 295 Q CB -0.046 28.887 28.738 0.324 0.000 0.898 295 Q HN 0.390 nan 8.270 nan 0.000 0.426 296 E N -0.110 120.236 120.200 0.244 0.000 2.077 296 E HA -0.214 4.131 4.350 -0.009 0.000 0.193 296 E C 1.747 178.459 176.600 0.186 0.000 0.989 296 E CA 1.076 57.602 56.400 0.210 0.000 0.800 296 E CB -0.142 29.659 29.700 0.168 0.000 0.746 296 E HN 0.320 nan 8.360 nan 0.000 0.452 297 Y N 0.314 120.660 120.300 0.077 0.000 2.263 297 Y HA -0.192 4.353 4.550 -0.009 0.000 0.292 297 Y C 1.942 177.870 175.900 0.047 0.000 1.130 297 Y CA 0.911 59.008 58.100 -0.005 0.000 1.179 297 Y CB -0.333 38.089 38.460 -0.064 0.000 0.998 297 Y HN 0.009 nan 8.280 nan 0.000 0.532 298 F N -0.302 119.639 119.950 -0.014 0.000 2.065 298 F HA -0.257 4.265 4.527 -0.009 0.000 0.298 298 F C 2.505 178.154 175.800 -0.252 0.000 1.112 298 F CA 2.047 59.992 58.000 -0.093 0.000 1.212 298 F CB -1.099 37.992 39.000 0.152 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.481 119.401 119.914 -0.052 0.000 2.358 299 V HA -0.209 3.906 4.120 -0.009 0.000 0.246 299 V C 2.215 178.159 176.094 -0.250 0.000 1.047 299 V CA 1.963 64.197 62.300 -0.109 0.000 1.035 299 V CB -0.407 31.539 31.823 0.205 0.000 0.658 299 V HN 0.258 nan 8.190 nan 0.000 0.452 300 V N 0.443 120.218 119.914 -0.232 0.000 2.307 300 V HA -0.190 3.924 4.120 -0.009 0.000 0.245 300 V C 2.809 178.638 176.094 -0.441 0.000 1.045 300 V CA 2.171 64.316 62.300 -0.259 0.000 1.024 300 V CB -1.109 30.622 31.823 -0.153 0.000 0.651 300 V HN 0.649 nan 8.190 nan 0.000 0.449 301 A N -0.180 122.203 122.820 -0.729 0.000 1.877 301 A HA -0.097 4.217 4.320 -0.009 0.000 0.216 301 A C 2.405 179.602 177.584 -0.644 0.000 1.186 301 A CA 2.101 53.700 52.037 -0.730 0.000 0.620 301 A CB -0.814 17.533 19.000 -1.088 0.000 0.822 301 A HN 0.562 nan 8.150 nan 0.000 0.443 302 A N -1.052 121.221 122.820 -0.912 0.000 1.898 302 A HA -0.064 4.251 4.320 -0.009 0.000 0.216 302 A C 2.314 179.394 177.584 -0.840 0.000 1.181 302 A CA 2.274 53.586 52.037 -1.207 0.000 0.620 302 A CB -1.290 16.300 19.000 -2.350 0.000 0.819 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.529 114.720 114.554 -0.604 0.000 2.708 303 T HA -0.101 4.244 4.350 -0.009 0.000 0.266 303 T C 1.822 176.252 174.700 -0.450 0.000 1.037 303 T CA 1.454 63.308 62.100 -0.411 0.000 1.146 303 T CB -0.394 68.219 68.868 -0.425 0.000 0.865 303 T HN 0.342 nan 8.240 nan 0.000 0.435 304 L N 0.700 121.705 121.223 -0.363 0.000 2.083 304 L HA -0.165 4.170 4.340 -0.009 0.000 0.209 304 L C 2.912 179.666 176.870 -0.192 0.000 1.083 304 L CA 1.413 56.094 54.840 -0.265 0.000 0.752 304 L CB -0.525 41.414 42.059 -0.200 0.000 0.899 304 L HN 0.368 nan 8.230 nan 0.000 0.433 305 Q N -0.619 119.064 119.800 -0.196 0.000 2.124 305 Q HA -0.239 4.095 4.340 -0.009 0.000 0.202 305 Q C 1.757 177.731 176.000 -0.043 0.000 0.977 305 Q CA 1.609 57.347 55.803 -0.109 0.000 0.850 305 Q CB -0.088 28.568 28.738 -0.137 0.000 0.901 305 Q HN 0.392 nan 8.270 nan 0.000 0.429 306 D N 0.575 120.950 120.400 -0.043 0.000 2.117 306 D HA -0.097 4.538 4.640 -0.009 0.000 0.198 306 D C 1.664 177.954 176.300 -0.016 0.000 0.982 306 D CA 0.852 54.901 54.000 0.081 0.000 0.828 306 D CB -0.003 40.961 40.800 0.273 0.000 0.967 306 D HN 0.166 nan 8.370 nan 0.000 0.464 307 I N 0.163 120.605 120.570 -0.214 0.000 2.179 307 I HA -0.229 3.935 4.170 -0.009 0.000 0.242 307 I C 2.302 178.452 176.117 0.056 0.000 1.088 307 I CA 0.730 61.851 61.300 -0.298 0.000 1.357 307 I CB -0.138 37.531 38.000 -0.552 0.000 1.051 307 I HN 0.041 nan 8.210 nan 0.000 0.409 308 I N 0.265 120.914 120.570 0.132 0.000 2.315 308 I HA -0.284 3.880 4.170 -0.009 0.000 0.248 308 I C 2.787 179.085 176.117 0.301 0.000 1.117 308 I CA 1.115 62.608 61.300 0.322 0.000 1.404 308 I CB -0.435 37.696 38.000 0.218 0.000 1.071 308 I HN 0.216 nan 8.210 nan 0.000 0.419 309 R N 1.338 121.940 120.500 0.170 0.000 2.080 309 R HA -0.223 4.111 4.340 -0.009 0.000 0.236 309 R C 2.511 178.904 176.300 0.155 0.000 1.137 309 R CA 1.777 57.957 56.100 0.134 0.000 0.943 309 R CB -0.280 30.071 30.300 0.085 0.000 0.846 309 R HN 0.191 nan 8.270 nan 0.000 0.431 310 R N -0.588 120.017 120.500 0.175 0.000 2.120 310 R HA -0.177 4.158 4.340 -0.009 0.000 0.234 310 R C 2.135 178.567 176.300 0.221 0.000 1.123 310 R CA 1.703 57.919 56.100 0.194 0.000 0.975 310 R CB -0.358 30.057 30.300 0.191 0.000 0.866 310 R HN 0.302 nan 8.270 nan 0.000 0.446 311 F N 1.253 121.270 119.950 0.111 0.000 2.146 311 F HA -0.063 4.459 4.527 -0.009 0.000 0.298 311 F C 1.575 177.414 175.800 0.066 0.000 1.096 311 F CA 1.461 59.520 58.000 0.097 0.000 1.275 311 F CB 0.061 39.170 39.000 0.182 0.000 1.008 311 F HN -0.144 nan 8.300 nan 0.000 0.480 312 K N -0.449 119.949 120.400 -0.004 0.000 2.366 312 K HA 0.029 4.344 4.320 -0.009 0.000 0.198 312 K C 1.412 177.947 176.600 -0.108 0.000 1.044 312 K CA 1.030 57.228 56.287 -0.148 0.000 0.973 312 K CB -0.093 32.422 32.500 0.025 0.000 0.767 312 K HN 0.129 nan 8.250 nan 0.000 0.475 313 S N 0.901 116.594 115.700 -0.012 0.000 2.614 313 S HA 0.046 4.511 4.470 -0.009 0.000 0.230 313 S C 0.327 174.990 174.600 0.105 0.000 0.952 313 S CA -0.431 57.800 58.200 0.052 0.000 0.949 313 S CB 0.209 63.468 63.200 0.097 0.000 0.786 313 S HN 0.259 nan 8.310 nan 0.000 0.478 325 N N 1.428 120.079 118.700 -0.082 0.000 2.406 325 N HA 0.286 5.021 4.740 -0.009 0.000 0.251 325 N C 0.228 175.766 175.510 0.047 0.000 1.069 325 N CA -0.370 52.693 53.050 0.022 0.000 0.947 325 N CB 0.520 39.036 38.487 0.049 0.000 1.111 325 N HN 0.325 nan 8.380 nan 0.000 0.497 326 F N 1.017 121.067 119.950 0.166 0.000 2.802 326 F HA 0.026 4.547 4.527 -0.009 0.000 0.300 326 F C 1.287 177.161 175.800 0.122 0.000 1.168 326 F CA 0.254 58.340 58.000 0.144 0.000 1.433 326 F CB 0.141 39.104 39.000 -0.063 0.000 1.115 326 F HN 0.470 nan 8.300 nan 0.000 0.582 327 D N 0.244 120.786 120.400 0.237 0.000 2.218 327 D HA -0.144 4.491 4.640 -0.009 0.000 0.204 327 D C 2.132 178.530 176.300 0.162 0.000 0.976 327 D CA 1.160 55.258 54.000 0.164 0.000 0.853 327 D CB -0.066 40.803 40.800 0.115 0.000 0.939 327 D HN 0.245 nan 8.370 nan 0.000 0.481 328 A N -0.713 122.231 122.820 0.207 0.000 2.275 328 A HA 0.114 4.429 4.320 -0.009 0.000 0.212 328 A C 1.534 179.249 177.584 0.218 0.000 1.201 328 A CA -0.324 51.832 52.037 0.198 0.000 0.843 328 A CB -0.722 18.399 19.000 0.202 0.000 0.873 328 A HN 0.225 nan 8.150 nan 0.000 0.492 329 F N 1.878 121.825 119.950 -0.004 0.000 2.091 329 F HA -0.129 4.393 4.527 -0.008 0.000 0.299 329 F C -0.843 174.870 175.800 -0.145 0.000 1.103 329 F CA 2.399 60.209 58.000 -0.317 0.000 1.228 329 F CB -0.542 38.276 39.000 -0.303 0.000 0.984 329 F HN 0.196 nan 8.300 nan 0.000 0.477 330 P HA -0.092 nan 4.420 nan 0.000 0.226 330 P C 0.664 177.931 177.300 -0.056 0.000 1.153 330 P CA 1.420 64.504 63.100 -0.028 0.000 0.777 330 P CB -0.033 31.676 31.700 0.015 0.000 0.794 331 D N -1.004 119.384 120.400 -0.020 0.000 2.333 331 D HA -0.003 4.631 4.640 -0.009 0.000 0.208 331 D C 1.407 177.700 176.300 -0.010 0.000 0.984 331 D CA 0.826 54.826 54.000 -0.001 0.000 0.873 331 D CB 0.182 41.002 40.800 0.033 0.000 0.935 331 D HN 0.142 nan 8.370 nan 0.000 0.521 332 K N 0.154 120.527 120.400 -0.046 0.000 2.402 332 K HA 0.221 4.535 4.320 -0.009 0.000 0.203 332 K C -0.122 176.401 176.600 -0.128 0.000 1.077 332 K CA 0.028 56.300 56.287 -0.025 0.000 1.051 332 K CB 2.444 35.031 32.500 0.146 0.000 0.907 332 K HN -0.071 nan 8.250 nan 0.000 0.554 333 V N 0.817 120.569 119.914 -0.270 0.000 2.733 333 V HA 0.642 4.757 4.120 -0.009 0.000 0.306 333 V C -1.195 174.814 176.094 -0.142 0.000 1.084 333 V CA -1.289 60.848 62.300 -0.273 0.000 0.905 333 V CB 1.923 33.295 31.823 -0.752 0.000 1.010 333 V HN 0.103 nan 8.190 nan 0.000 0.424 334 A N 5.499 128.287 122.820 -0.052 0.000 2.359 334 A HA 0.919 5.233 4.320 -0.009 0.000 0.303 334 A C -1.044 176.564 177.584 0.040 0.000 1.066 334 A CA -0.433 51.599 52.037 -0.008 0.000 0.730 334 A CB 1.036 19.969 19.000 -0.112 0.000 1.211 334 A HN 0.766 nan 8.150 nan 0.000 0.439 335 I N 1.963 122.603 120.570 0.117 0.000 2.382 335 I HA 0.299 4.464 4.170 -0.009 0.000 0.286 335 I C -0.348 175.859 176.117 0.150 0.000 1.002 335 I CA -0.558 60.825 61.300 0.138 0.000 1.135 335 I CB 1.941 40.008 38.000 0.110 0.000 1.288 335 I HN 0.700 nan 8.210 nan 0.000 0.448 336 Q N 6.935 126.821 119.800 0.142 0.000 2.314 336 Q HA 0.495 4.829 4.340 -0.009 0.000 0.259 336 Q C -1.327 174.683 176.000 0.017 0.000 0.951 336 Q CA -0.269 55.647 55.803 0.187 0.000 0.909 336 Q CB 1.288 30.238 28.738 0.355 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.757 125.026 121.223 0.076 0.000 2.260 337 L HA 0.388 4.723 4.340 -0.009 0.000 0.289 337 L C 0.103 177.005 176.870 0.053 0.000 1.057 337 L CA -0.711 54.163 54.840 0.056 0.000 0.811 337 L CB 0.640 42.776 42.059 0.129 0.000 1.184 337 L HN 0.570 nan 8.230 nan 0.000 0.429 338 N N 3.526 122.178 118.700 -0.080 0.000 2.508 338 N HA 0.112 4.847 4.740 -0.009 0.000 0.253 338 N C -0.224 175.295 175.510 0.015 0.000 1.145 338 N CA 0.418 53.459 53.050 -0.015 0.000 0.973 338 N CB -0.082 38.290 38.487 -0.191 0.000 1.305 338 N HN 0.708 nan 8.380 nan 0.000 0.506 339 D N -0.543 119.970 120.400 0.188 0.000 3.876 339 D HA -0.248 4.387 4.640 -0.009 0.000 0.275 339 D C 0.391 176.800 176.300 0.181 0.000 2.055 339 D CA 1.893 56.000 54.000 0.180 0.000 1.173 339 D CB -0.501 40.178 40.800 -0.203 0.000 0.929 339 D HN 0.476 nan 8.370 nan 0.000 1.134 340 T N -3.112 111.491 114.554 0.082 0.000 3.129 340 T HA 0.119 4.464 4.350 -0.009 0.000 0.251 340 T C 1.469 176.272 174.700 0.171 0.000 1.117 340 T CA 1.350 63.487 62.100 0.063 0.000 1.034 340 T CB -0.488 68.389 68.868 0.016 0.000 0.968 340 T HN 0.514 nan 8.240 nan 0.000 0.526 341 H N 2.586 121.746 119.070 0.150 0.000 2.390 341 H HA -0.014 4.537 4.556 -0.009 0.000 0.298 341 H C -0.772 174.645 175.328 0.149 0.000 1.106 341 H CA 1.071 57.223 56.048 0.173 0.000 1.297 341 H CB -0.722 29.139 29.762 0.165 0.000 1.375 341 H HN 0.447 nan 8.280 nan 0.000 0.509 342 P HA 0.087 nan 4.420 nan 0.000 0.266 342 P C 0.753 178.100 177.300 0.079 0.000 1.561 342 P CA 0.369 63.551 63.100 0.136 0.000 1.089 342 P CB 0.451 32.218 31.700 0.113 0.000 1.534 343 S N -0.054 115.689 115.700 0.072 0.000 2.440 343 S HA -0.126 4.339 4.470 -0.009 0.000 0.238 343 S C 1.767 176.374 174.600 0.011 0.000 1.010 343 S CA 0.778 58.981 58.200 0.005 0.000 0.972 343 S CB -1.457 61.726 63.200 -0.028 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 0.893 122.137 121.223 0.036 0.000 2.549 344 L HA 0.071 4.406 4.340 -0.009 0.000 0.229 344 L C 2.860 179.768 176.870 0.063 0.000 1.158 344 L CA 0.562 55.426 54.840 0.040 0.000 0.842 344 L CB -0.708 41.376 42.059 0.041 0.000 0.952 344 L HN 0.471 nan 8.230 nan 0.000 0.452 345 A N 0.505 123.342 122.820 0.029 0.000 1.972 345 A HA -0.170 4.145 4.320 -0.009 0.000 0.219 345 A C 2.183 179.766 177.584 -0.001 0.000 1.169 345 A CA 1.325 53.364 52.037 0.003 0.000 0.635 345 A CB -0.398 18.595 19.000 -0.011 0.000 0.810 345 A HN 0.362 nan 8.150 nan 0.000 0.446 346 I N -0.135 120.436 120.570 0.001 0.000 2.113 346 I HA -0.159 4.006 4.170 -0.009 0.000 0.238 346 I C -0.564 175.568 176.117 0.026 0.000 1.070 346 I CA 1.459 62.756 61.300 -0.004 0.000 1.332 346 I CB -1.010 36.993 38.000 0.004 0.000 1.044 346 I HN 0.201 nan 8.210 nan 0.000 0.402 347 P HA -0.163 nan 4.420 nan 0.000 0.219 347 P C 1.328 178.647 177.300 0.031 0.000 1.150 347 P CA 1.197 64.332 63.100 0.058 0.000 0.814 347 P CB 0.067 31.835 31.700 0.114 0.000 0.787 348 E N -0.202 120.086 120.200 0.146 0.000 2.106 348 E HA -0.160 4.185 4.350 -0.009 0.000 0.192 348 E C 1.777 178.361 176.600 -0.026 0.000 0.984 348 E CA 0.842 57.341 56.400 0.165 0.000 0.806 348 E CB -1.191 28.651 29.700 0.237 0.000 0.750 348 E HN -0.011 nan 8.360 nan 0.000 0.458 349 L N -0.102 121.074 121.223 -0.078 0.000 2.056 349 L HA -0.075 4.260 4.340 -0.009 0.000 0.207 349 L C 2.062 178.788 176.870 -0.241 0.000 1.078 349 L CA 1.668 56.400 54.840 -0.179 0.000 0.749 349 L CB -0.503 41.450 42.059 -0.176 0.000 0.901 349 L HN 0.225 nan 8.230 nan 0.000 0.433 350 M N -0.757 118.718 119.600 -0.208 0.000 2.117 350 M HA -0.207 4.268 4.480 -0.009 0.000 0.262 350 M C 2.434 178.573 176.300 -0.269 0.000 1.065 350 M CA 1.551 56.678 55.300 -0.289 0.000 1.114 350 M CB -1.196 31.215 32.600 -0.314 0.000 1.361 350 M HN 0.328 nan 8.290 nan 0.000 0.408 351 R N 0.055 120.421 120.500 -0.224 0.000 2.083 351 R HA -0.142 4.193 4.340 -0.009 0.000 0.237 351 R C 2.064 178.264 176.300 -0.167 0.000 1.137 351 R CA 1.793 57.766 56.100 -0.212 0.000 0.951 351 R CB -0.233 29.892 30.300 -0.293 0.000 0.851 351 R HN 0.206 nan 8.270 nan 0.000 0.434 352 V N 1.487 121.299 119.914 -0.169 0.000 2.295 352 V HA -0.263 3.852 4.120 -0.009 0.000 0.246 352 V C 2.433 178.373 176.094 -0.257 0.000 1.049 352 V CA 1.824 64.018 62.300 -0.177 0.000 1.024 352 V CB -0.438 31.272 31.823 -0.189 0.000 0.648 352 V HN 0.350 nan 8.190 nan 0.000 0.447 353 L N -0.583 120.421 121.223 -0.364 0.000 2.046 353 L HA -0.133 4.201 4.340 -0.009 0.000 0.208 353 L C 2.392 179.097 176.870 -0.276 0.000 1.077 353 L CA 1.146 55.714 54.840 -0.453 0.000 0.747 353 L CB -0.634 41.105 42.059 -0.535 0.000 0.896 353 L HN 0.215 nan 8.230 nan 0.000 0.432 354 V N -0.595 119.194 119.914 -0.208 0.000 2.331 354 V HA -0.175 3.940 4.120 -0.009 0.000 0.242 354 V C 1.962 178.023 176.094 -0.055 0.000 1.034 354 V CA 1.654 63.892 62.300 -0.103 0.000 1.027 354 V CB -0.361 31.428 31.823 -0.057 0.000 0.667 354 V HN 0.339 nan 8.190 nan 0.000 0.457 355 D N 0.021 120.383 120.400 -0.064 0.000 2.149 355 D HA -0.011 4.623 4.640 -0.009 0.000 0.201 355 D C 2.026 178.307 176.300 -0.031 0.000 0.972 355 D CA 1.171 55.151 54.000 -0.033 0.000 0.835 355 D CB 0.058 40.836 40.800 -0.037 0.000 0.966 355 D HN 0.330 nan 8.370 nan 0.000 0.476 356 L N 0.120 121.310 121.223 -0.055 0.000 2.362 356 L HA 0.117 4.452 4.340 -0.009 0.000 0.204 356 L C 1.844 178.695 176.870 -0.031 0.000 1.060 356 L CA 0.482 55.300 54.840 -0.038 0.000 0.827 356 L CB 0.048 42.083 42.059 -0.040 0.000 1.027 356 L HN -0.196 nan 8.230 nan 0.000 0.474 357 E N 0.399 120.552 120.200 -0.077 0.000 2.442 357 E HA 0.022 4.367 4.350 -0.009 0.000 0.195 357 E C 0.126 176.719 176.600 -0.012 0.000 1.030 357 E CA -0.008 56.367 56.400 -0.042 0.000 0.869 357 E CB 0.304 29.892 29.700 -0.187 0.000 0.857 357 E HN 0.176 nan 8.360 nan 0.000 0.505 358 R N -0.214 120.267 120.500 -0.031 0.000 3.656 358 R HA -0.168 4.167 4.340 -0.009 0.000 0.297 358 R C -0.095 176.208 176.300 0.004 0.000 1.166 358 R CA 0.335 56.434 56.100 -0.001 0.000 0.799 358 R CB -2.923 27.391 30.300 0.023 0.000 1.285 358 R HN 0.213 nan 8.270 nan 0.000 0.477 359 L N 1.856 123.058 121.223 -0.036 0.000 2.418 359 L HA 0.205 4.540 4.340 -0.009 0.000 0.265 359 L C 1.459 178.335 176.870 0.009 0.000 1.143 359 L CA -0.395 54.434 54.840 -0.019 0.000 0.809 359 L CB 0.546 42.555 42.059 -0.084 0.000 1.124 359 L HN 0.131 nan 8.230 nan 0.000 0.456 360 D N 0.545 120.973 120.400 0.046 0.000 2.357 360 D HA -0.130 4.505 4.640 -0.009 0.000 0.242 360 D C 0.805 177.181 176.300 0.126 0.000 1.153 360 D CA -0.514 53.544 54.000 0.097 0.000 0.918 360 D CB 1.206 42.067 40.800 0.101 0.000 1.181 360 D HN 0.655 nan 8.370 nan 0.000 0.435 361 W N 2.005 123.310 121.300 0.008 0.000 2.317 361 W HA -0.232 4.422 4.660 -0.009 0.000 0.318 361 W C 1.131 177.694 176.519 0.074 0.000 1.227 361 W CA 1.931 59.287 57.345 0.018 0.000 1.269 361 W CB -0.340 29.110 29.460 -0.018 0.000 1.155 361 W HN 0.466 nan 8.180 nan 0.000 0.484 362 D N 0.049 120.665 120.400 0.361 0.000 2.149 362 D HA -0.223 4.412 4.640 -0.009 0.000 0.198 362 D C 2.013 178.419 176.300 0.177 0.000 0.990 362 D CA 1.849 56.026 54.000 0.295 0.000 0.839 362 D CB -0.416 40.526 40.800 0.237 0.000 0.948 362 D HN 0.281 nan 8.370 nan 0.000 0.460 363 K N 0.642 121.105 120.400 0.105 0.000 2.062 363 K HA -0.037 4.278 4.320 -0.009 0.000 0.205 363 K C 2.062 178.657 176.600 -0.008 0.000 1.051 363 K CA 1.043 57.364 56.287 0.057 0.000 0.941 363 K CB 0.024 32.554 32.500 0.050 0.000 0.719 363 K HN -0.010 nan 8.250 nan 0.000 0.440 364 A N 1.280 124.053 122.820 -0.077 0.000 1.933 364 A HA -0.203 4.112 4.320 -0.009 0.000 0.218 364 A C 2.008 179.496 177.584 -0.160 0.000 1.175 364 A CA 1.230 53.150 52.037 -0.195 0.000 0.628 364 A CB -1.106 17.712 19.000 -0.303 0.000 0.814 364 A HN 0.744 nan 8.150 nan 0.000 0.444 365 W N 0.603 121.692 121.300 -0.352 0.000 2.388 365 W HA -0.151 4.504 4.660 -0.008 0.000 0.294 365 W C 1.950 178.406 176.519 -0.104 0.000 1.212 365 W CA 1.690 58.875 57.345 -0.268 0.000 1.271 365 W CB -0.052 29.290 29.460 -0.196 0.000 1.126 365 W HN 0.608 nan 8.180 nan 0.000 0.535 366 E N 0.108 120.303 120.200 -0.008 0.000 2.051 366 E HA -0.219 4.126 4.350 -0.009 0.000 0.192 366 E C 2.058 178.583 176.600 -0.126 0.000 0.991 366 E CA 1.813 58.173 56.400 -0.067 0.000 0.799 366 E CB -0.301 29.416 29.700 0.028 0.000 0.748 366 E HN 0.039 nan 8.360 nan 0.000 0.449 367 V N 0.718 120.572 119.914 -0.100 0.000 2.343 367 V HA -0.260 3.855 4.120 -0.009 0.000 0.247 367 V C 2.380 178.405 176.094 -0.115 0.000 1.051 367 V CA 2.179 64.436 62.300 -0.072 0.000 1.036 367 V CB -0.741 31.025 31.823 -0.095 0.000 0.654 367 V HN 0.390 nan 8.190 nan 0.000 0.451 368 T N 0.055 114.468 114.554 -0.235 0.000 2.652 368 T HA -0.184 4.161 4.350 -0.009 0.000 0.267 368 T C 1.947 176.464 174.700 -0.306 0.000 1.039 368 T CA 1.813 63.746 62.100 -0.278 0.000 1.153 368 T CB -0.299 68.345 68.868 -0.374 0.000 0.863 368 T HN 0.281 nan 8.240 nan 0.000 0.428 369 V N 1.479 121.095 119.914 -0.497 0.000 2.343 369 V HA -0.176 3.939 4.120 -0.009 0.000 0.247 369 V C 2.327 178.374 176.094 -0.078 0.000 1.051 369 V CA 1.636 63.706 62.300 -0.385 0.000 1.036 369 V CB -0.507 31.015 31.823 -0.502 0.000 0.654 369 V HN 0.486 nan 8.190 nan 0.000 0.451 370 K N -0.487 119.851 120.400 -0.104 0.000 2.365 370 K HA -0.070 4.245 4.320 -0.009 0.000 0.199 370 K C 2.051 178.615 176.600 -0.060 0.000 1.045 370 K CA 1.454 57.661 56.287 -0.133 0.000 0.962 370 K CB -0.181 32.246 32.500 -0.122 0.000 0.759 370 K HN 0.468 nan 8.250 nan 0.000 0.469 371 T N 0.228 114.811 114.554 0.048 0.000 2.976 371 T HA 0.028 4.373 4.350 -0.009 0.000 0.257 371 T C 0.921 175.730 174.700 0.181 0.000 1.051 371 T CA 0.349 62.517 62.100 0.113 0.000 1.141 371 T CB 0.108 69.081 68.868 0.175 0.000 0.881 371 T HN 0.167 nan 8.240 nan 0.000 0.461 372 C N 2.388 121.777 119.300 0.149 0.000 2.401 372 C HA 0.884 5.338 4.460 -0.009 0.000 0.365 372 C C 0.584 175.635 174.990 0.100 0.000 1.250 372 C CA -1.264 57.825 59.018 0.117 0.000 2.131 372 C CB 0.105 27.851 27.740 0.010 0.000 2.445 372 C HN 0.586 nan 8.230 nan 0.000 0.550 373 A N 2.014 124.885 122.820 0.084 0.000 2.475 373 A HA 0.760 5.075 4.320 -0.009 0.000 0.301 373 A C -1.529 176.128 177.584 0.121 0.000 1.059 373 A CA -0.421 51.611 52.037 -0.008 0.000 0.710 373 A CB 1.040 20.065 19.000 0.041 0.000 1.288 373 A HN 0.951 nan 8.150 nan 0.000 0.408 374 Y N 1.128 121.376 120.300 -0.085 0.000 2.376 374 Y HA 0.645 5.190 4.550 -0.008 0.000 0.340 374 Y C -0.532 175.351 175.900 -0.028 0.000 0.965 374 Y CA -0.317 57.748 58.100 -0.058 0.000 1.078 374 Y CB 2.059 40.443 38.460 -0.128 0.000 1.193 374 Y HN 0.567 nan 8.280 nan 0.000 0.452 375 T N 6.547 120.912 114.554 -0.315 0.000 2.770 375 T HA 0.190 4.535 4.350 -0.009 0.000 0.283 375 T C -0.841 173.408 174.700 -0.752 0.000 0.988 375 T CA -0.812 61.025 62.100 -0.439 0.000 0.957 375 T CB 0.458 69.292 68.868 -0.056 0.000 0.930 375 T HN 0.652 nan 8.240 nan 0.000 0.443 376 N N 1.858 120.096 118.700 -0.770 0.000 2.456 376 N HA 0.128 4.863 4.740 -0.009 0.000 0.288 376 N C 0.002 175.373 175.510 -0.232 0.000 1.059 376 N CA -0.328 52.488 53.050 -0.389 0.000 0.946 376 N CB 0.782 39.202 38.487 -0.111 0.000 1.150 376 N HN 0.669 nan 8.380 nan 0.000 0.479 377 H N 1.217 120.298 119.070 0.018 0.000 2.784 377 H HA 0.179 4.730 4.556 -0.009 0.000 0.273 377 H C -0.226 174.998 175.328 -0.174 0.000 1.112 377 H CA -0.034 55.979 56.048 -0.058 0.000 1.162 377 H CB 1.036 30.762 29.762 -0.059 0.000 1.586 377 H HN 0.540 nan 8.280 nan 0.000 0.548 378 T N 0.091 114.636 114.554 -0.014 0.000 2.907 378 T HA 0.159 4.504 4.350 -0.009 0.000 0.344 378 T C 0.500 175.180 174.700 -0.033 0.000 1.675 378 T CA -0.312 61.715 62.100 -0.121 0.000 1.076 378 T CB 1.058 69.811 68.868 -0.191 0.000 1.483 378 T HN -0.043 nan 8.240 nan 0.000 0.487 379 V N 1.703 121.567 119.914 -0.084 0.000 3.661 379 V HA 0.548 4.662 4.120 -0.009 0.000 0.271 379 V C 0.870 176.885 176.094 -0.132 0.000 1.315 379 V CA 0.104 62.346 62.300 -0.095 0.000 1.072 379 V CB -0.495 31.287 31.823 -0.069 0.000 0.830 379 V HN 0.714 nan 8.190 nan 0.000 0.443 380 L N 3.225 124.337 121.223 -0.186 0.000 2.584 380 L HA 0.165 4.500 4.340 -0.009 0.000 0.272 380 L C -0.435 176.352 176.870 -0.138 0.000 1.195 380 L CA -0.858 53.880 54.840 -0.169 0.000 0.920 380 L CB 0.471 42.363 42.059 -0.278 0.000 1.173 380 L HN 0.148 nan 8.230 nan 0.000 0.489 381 P HA -0.218 nan 4.420 nan 0.000 0.216 381 P C 0.813 178.086 177.300 -0.046 0.000 1.150 381 P CA 1.316 64.383 63.100 -0.055 0.000 0.837 381 P CB 0.064 31.750 31.700 -0.023 0.000 0.786 382 E N 0.078 120.271 120.200 -0.011 0.000 2.511 382 E HA 0.038 4.383 4.350 -0.009 0.000 0.196 382 E C 1.381 177.968 176.600 -0.021 0.000 1.066 382 E CA 0.652 57.079 56.400 0.045 0.000 0.871 382 E CB -0.598 29.195 29.700 0.154 0.000 0.863 382 E HN 0.232 nan 8.360 nan 0.000 0.520 383 A N 0.866 123.571 122.820 -0.191 0.000 2.343 383 A HA 0.278 4.593 4.320 -0.009 0.000 0.223 383 A C 1.072 178.567 177.584 -0.148 0.000 1.214 383 A CA -0.386 51.482 52.037 -0.282 0.000 0.900 383 A CB 0.122 18.796 19.000 -0.543 0.000 0.942 383 A HN 0.154 nan 8.150 nan 0.000 0.507 384 L N 1.519 122.646 121.223 -0.160 0.000 2.380 384 L HA 0.195 4.530 4.340 -0.009 0.000 0.273 384 L C -0.140 176.422 176.870 -0.514 0.000 1.138 384 L CA -0.217 54.493 54.840 -0.216 0.000 0.832 384 L CB 0.779 42.743 42.059 -0.160 0.000 1.124 384 L HN 0.312 nan 8.230 nan 0.000 0.454 385 E N 4.022 123.837 120.200 -0.641 0.000 2.180 385 E HA 0.249 4.594 4.350 -0.009 0.000 0.283 385 E C -0.662 175.320 176.600 -1.031 0.000 1.061 385 E CA -0.236 55.357 56.400 -1.344 0.000 0.861 385 E CB 0.772 30.029 29.700 -0.737 0.000 1.056 385 E HN 0.398 nan 8.360 nan 0.000 0.407 386 R N 3.648 123.373 120.500 -1.292 0.000 2.487 386 R HA 0.196 4.531 4.340 -0.009 0.000 0.288 386 R C -1.275 174.853 176.300 -0.286 0.000 1.394 386 R CA -0.555 55.242 56.100 -0.505 0.000 1.155 386 R CB 0.743 30.879 30.300 -0.274 0.000 1.156 386 R HN 0.450 nan 8.270 nan 0.000 0.553 387 W N 4.064 125.330 121.300 -0.057 0.000 2.287 387 W HA 0.270 4.924 4.660 -0.009 0.000 0.313 387 W C -1.914 174.595 176.519 -0.018 0.000 1.267 387 W CA -2.103 55.280 57.345 0.062 0.000 1.201 387 W CB 0.586 30.058 29.460 0.020 0.000 1.196 387 W HN 0.233 nan 8.180 nan 0.000 0.536 388 P HA -0.074 nan 4.420 nan 0.000 0.267 388 P C 0.778 178.005 177.300 -0.120 0.000 1.205 388 P CA 0.176 63.242 63.100 -0.058 0.000 0.765 388 P CB 0.777 32.274 31.700 -0.339 0.000 0.828 389 V N 3.313 123.205 119.914 -0.036 0.000 2.392 389 V HA -0.286 3.829 4.120 -0.009 0.000 0.249 389 V C 2.119 178.212 176.094 -0.001 0.000 1.059 389 V CA 2.505 64.807 62.300 0.004 0.000 1.051 389 V CB -1.725 30.161 31.823 0.104 0.000 0.658 389 V HN 0.759 nan 8.190 nan 0.000 0.455 390 H N -0.898 118.234 119.070 0.104 0.000 2.456 390 H HA -0.108 4.443 4.556 -0.009 0.000 0.296 390 H C 1.990 177.372 175.328 0.091 0.000 1.079 390 H CA 1.694 57.798 56.048 0.094 0.000 1.322 390 H CB -0.568 29.250 29.762 0.093 0.000 1.388 390 H HN 0.372 nan 8.280 nan 0.000 0.538 391 L N -0.160 120.953 121.223 -0.182 0.000 2.044 391 L HA -0.050 4.285 4.340 -0.009 0.000 0.205 391 L C 2.343 179.194 176.870 -0.032 0.000 1.075 391 L CA 0.885 55.717 54.840 -0.014 0.000 0.747 391 L CB -0.189 41.844 42.059 -0.043 0.000 0.903 391 L HN 0.328 nan 8.230 nan 0.000 0.435 392 L N -0.530 120.641 121.223 -0.087 0.000 2.093 392 L HA -0.242 4.092 4.340 -0.009 0.000 0.208 392 L C 2.474 179.292 176.870 -0.085 0.000 1.085 392 L CA 1.201 55.959 54.840 -0.137 0.000 0.755 392 L CB -0.458 41.506 42.059 -0.158 0.000 0.904 392 L HN 0.338 nan 8.230 nan 0.000 0.435 393 E N -0.305 119.885 120.200 -0.018 0.000 2.085 393 E HA -0.222 4.122 4.350 -0.009 0.000 0.194 393 E C 1.894 178.536 176.600 0.070 0.000 0.994 393 E CA 1.934 58.352 56.400 0.030 0.000 0.801 393 E CB 0.144 29.900 29.700 0.093 0.000 0.743 393 E HN 0.414 nan 8.360 nan 0.000 0.453 394 T N 0.541 115.163 114.554 0.113 0.000 2.894 394 T HA -0.051 4.294 4.350 -0.009 0.000 0.258 394 T C 1.665 176.496 174.700 0.218 0.000 1.043 394 T CA 0.627 62.844 62.100 0.195 0.000 1.141 394 T CB -0.064 68.950 68.868 0.244 0.000 0.873 394 T HN 0.076 nan 8.240 nan 0.000 0.449 395 L N 0.108 121.364 121.223 0.056 0.000 2.162 395 L HA 0.369 4.703 4.340 -0.009 0.000 0.205 395 L C 0.328 177.149 176.870 -0.081 0.000 1.086 395 L CA 1.564 56.326 54.840 -0.129 0.000 0.778 395 L CB 0.061 42.000 42.059 -0.200 0.000 0.928 395 L HN 0.157 nan 8.230 nan 0.000 0.446 396 L N -0.131 121.000 121.223 -0.153 0.000 2.551 396 L HA 0.284 4.619 4.340 -0.009 0.000 0.248 396 L C -1.819 174.875 176.870 -0.293 0.000 1.509 396 L CA -1.129 53.529 54.840 -0.302 0.000 0.842 396 L CB 0.858 42.586 42.059 -0.552 0.000 1.087 396 L HN -0.076 nan 8.230 nan 0.000 0.512 397 P HA -0.212 nan 4.420 nan 0.000 0.216 397 P C 1.589 178.694 177.300 -0.324 0.000 1.157 397 P CA 1.116 64.094 63.100 -0.203 0.000 0.880 397 P CB 0.268 31.914 31.700 -0.091 0.000 0.791 398 R N -0.846 119.277 120.500 -0.628 0.000 2.075 398 R HA -0.141 4.194 4.340 -0.009 0.000 0.232 398 R C 2.126 178.122 176.300 -0.507 0.000 1.126 398 R CA 1.792 57.532 56.100 -0.599 0.000 0.963 398 R CB -1.603 28.169 30.300 -0.880 0.000 0.858 398 R HN 0.283 nan 8.270 nan 0.000 0.435 399 H N -0.346 118.413 119.070 -0.519 0.000 2.387 399 H HA -0.036 4.514 4.556 -0.009 0.000 0.299 399 H C 1.796 176.954 175.328 -0.283 0.000 1.090 399 H CA 1.567 57.397 56.048 -0.363 0.000 1.332 399 H CB -0.119 29.395 29.762 -0.414 0.000 1.386 399 H HN 0.089 nan 8.280 nan 0.000 0.516 400 L N 0.511 121.612 121.223 -0.205 0.000 2.046 400 L HA -0.238 4.097 4.340 -0.009 0.000 0.208 400 L C 1.817 178.497 176.870 -0.316 0.000 1.077 400 L CA 1.581 56.235 54.840 -0.310 0.000 0.747 400 L CB -0.258 41.631 42.059 -0.282 0.000 0.896 400 L HN 0.450 nan 8.230 nan 0.000 0.432 401 Q N -0.318 119.401 119.800 -0.134 0.000 2.124 401 Q HA -0.221 4.114 4.340 -0.009 0.000 0.202 401 Q C 2.165 178.187 176.000 0.036 0.000 0.977 401 Q CA 1.526 57.343 55.803 0.024 0.000 0.850 401 Q CB -0.067 28.690 28.738 0.033 0.000 0.901 401 Q HN 0.567 nan 8.270 nan 0.000 0.429 402 I N 0.473 121.038 120.570 -0.007 0.000 2.315 402 I HA -0.254 3.911 4.170 -0.009 0.000 0.248 402 I C 2.159 178.351 176.117 0.125 0.000 1.117 402 I CA 0.986 62.360 61.300 0.123 0.000 1.404 402 I CB -0.134 37.883 38.000 0.029 0.000 1.071 402 I HN 0.196 nan 8.210 nan 0.000 0.419 403 I N -0.411 120.154 120.570 -0.008 0.000 2.315 403 I HA -0.309 3.856 4.170 -0.009 0.000 0.248 403 I C 2.392 178.534 176.117 0.042 0.000 1.117 403 I CA 1.396 62.683 61.300 -0.021 0.000 1.404 403 I CB -0.345 37.573 38.000 -0.136 0.000 1.071 403 I HN 0.159 nan 8.210 nan 0.000 0.419 404 Y N 0.848 121.155 120.300 0.012 0.000 2.181 404 Y HA -0.262 4.283 4.550 -0.009 0.000 0.288 404 Y C 2.589 178.459 175.900 -0.050 0.000 1.146 404 Y CA 1.477 59.571 58.100 -0.010 0.000 1.164 404 Y CB -0.739 37.708 38.460 -0.023 0.000 0.982 404 Y HN 0.190 nan 8.280 nan 0.000 0.515 405 E N 0.411 120.656 120.200 0.076 0.000 2.106 405 E HA -0.140 4.204 4.350 -0.009 0.000 0.192 405 E C 2.035 178.559 176.600 -0.128 0.000 0.984 405 E CA 1.251 57.554 56.400 -0.160 0.000 0.806 405 E CB -0.528 28.905 29.700 -0.445 0.000 0.750 405 E HN 0.479 nan 8.360 nan 0.000 0.458 406 I N 0.600 121.196 120.570 0.043 0.000 2.226 406 I HA -0.266 3.899 4.170 -0.009 0.000 0.245 406 I C 2.261 178.388 176.117 0.017 0.000 1.100 406 I CA 1.333 62.616 61.300 -0.028 0.000 1.374 406 I CB -0.389 37.599 38.000 -0.020 0.000 1.057 406 I HN 0.214 nan 8.210 nan 0.000 0.413 407 N N 0.814 119.570 118.700 0.093 0.000 2.084 407 N HA -0.272 4.463 4.740 -0.009 0.000 0.190 407 N C 1.877 177.475 175.510 0.147 0.000 1.030 407 N CA 1.582 54.735 53.050 0.172 0.000 0.849 407 N CB -0.155 38.450 38.487 0.196 0.000 1.012 407 N HN 0.307 nan 8.380 nan 0.000 0.423 408 Q N 0.069 119.901 119.800 0.053 0.000 2.030 408 Q HA -0.153 4.182 4.340 -0.009 0.000 0.204 408 Q C 2.018 178.005 176.000 -0.022 0.000 0.986 408 Q CA 1.530 57.328 55.803 -0.009 0.000 0.843 408 Q CB -0.027 28.663 28.738 -0.080 0.000 0.904 408 Q HN 0.389 nan 8.270 nan 0.000 0.420 409 R N -0.696 119.768 120.500 -0.059 0.000 2.092 409 R HA -0.128 4.207 4.340 -0.009 0.000 0.231 409 R C 2.198 178.527 176.300 0.048 0.000 1.119 409 R CA 1.283 57.347 56.100 -0.060 0.000 0.970 409 R CB -0.386 29.826 30.300 -0.147 0.000 0.864 409 R HN 0.293 nan 8.270 nan 0.000 0.440 410 F N 1.553 121.482 119.950 -0.035 0.000 2.113 410 F HA -0.090 4.432 4.527 -0.009 0.000 0.297 410 F C 1.864 177.690 175.800 0.043 0.000 1.103 410 F CA 1.309 59.336 58.000 0.045 0.000 1.248 410 F CB -0.204 38.855 39.000 0.098 0.000 0.999 410 F HN -0.126 nan 8.300 nan 0.000 0.475 411 L N 0.001 121.238 121.223 0.024 0.000 2.201 411 L HA -0.229 4.106 4.340 -0.009 0.000 0.212 411 L C 2.004 178.809 176.870 -0.109 0.000 1.105 411 L CA 1.463 56.253 54.840 -0.083 0.000 0.775 411 L CB -0.877 41.197 42.059 0.026 0.000 0.913 411 L HN 0.258 nan 8.230 nan 0.000 0.440 412 N N -0.217 118.438 118.700 -0.075 0.000 2.244 412 N HA -0.146 4.588 4.740 -0.009 0.000 0.183 412 N C 1.907 177.362 175.510 -0.092 0.000 1.016 412 N CA 0.682 53.689 53.050 -0.071 0.000 0.866 412 N CB 0.059 38.511 38.487 -0.058 0.000 0.980 412 N HN 0.307 nan 8.380 nan 0.000 0.430 413 R N 0.412 120.836 120.500 -0.127 0.000 2.090 413 R HA -0.006 4.329 4.340 -0.009 0.000 0.228 413 R C 2.158 178.354 176.300 -0.174 0.000 1.110 413 R CA 0.692 56.712 56.100 -0.134 0.000 0.973 413 R CB -0.192 30.035 30.300 -0.121 0.000 0.869 413 R HN 0.067 nan 8.270 nan 0.000 0.440 414 V N 1.038 120.799 119.914 -0.256 0.000 2.358 414 V HA -0.224 3.891 4.120 -0.009 0.000 0.246 414 V C 2.434 178.515 176.094 -0.022 0.000 1.047 414 V CA 1.970 64.181 62.300 -0.149 0.000 1.035 414 V CB -0.685 30.990 31.823 -0.247 0.000 0.658 414 V HN 0.385 nan 8.190 nan 0.000 0.452 415 A N 0.032 122.817 122.820 -0.058 0.000 1.940 415 A HA -0.125 4.190 4.320 -0.009 0.000 0.219 415 A C 2.373 179.931 177.584 -0.043 0.000 1.176 415 A CA 2.105 54.126 52.037 -0.027 0.000 0.631 415 A CB -0.680 18.297 19.000 -0.039 0.000 0.814 415 A HN 0.581 nan 8.150 nan 0.000 0.446 416 A N -0.643 122.131 122.820 -0.077 0.000 1.968 416 A HA 0.310 4.625 4.320 -0.009 0.000 0.217 416 A C 2.346 179.836 177.584 -0.157 0.000 1.169 416 A CA 1.677 53.658 52.037 -0.095 0.000 0.638 416 A CB -0.624 18.324 19.000 -0.085 0.000 0.812 416 A HN 0.957 nan 8.150 nan 0.000 0.446 417 A N -1.705 120.974 122.820 -0.235 0.000 1.975 417 A HA 0.400 4.715 4.320 -0.009 0.000 0.215 417 A C 0.427 177.542 177.584 -0.783 0.000 1.170 417 A CA 0.496 52.221 52.037 -0.521 0.000 0.656 417 A CB -0.112 18.501 19.000 -0.645 0.000 0.821 417 A HN 0.408 nan 8.150 nan 0.000 0.449 418 F N -0.084 119.819 119.950 -0.078 0.000 2.584 418 F HA 0.342 4.863 4.527 -0.009 0.000 0.328 418 F C -2.779 172.984 175.800 -0.061 0.000 1.407 418 F CA -2.916 55.043 58.000 -0.068 0.000 1.145 418 F CB 0.648 39.599 39.000 -0.081 0.000 1.440 418 F HN -0.073 nan 8.300 nan 0.000 0.580 419 P HA 0.149 nan 4.420 nan 0.000 0.261 419 P C 1.027 178.347 177.300 0.033 0.000 1.183 419 P CA 1.260 64.371 63.100 0.018 0.000 0.761 419 P CB 0.702 32.395 31.700 -0.013 0.000 0.785 420 G N 2.714 111.527 108.800 0.021 0.000 2.234 420 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.260 420 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.260 420 G C 0.352 175.261 174.900 0.016 0.000 0.987 420 G CA 0.049 45.157 45.100 0.015 0.000 0.625 420 G HN 0.607 nan 8.290 nan 0.000 0.532 421 D N 1.508 121.927 120.400 0.031 0.000 2.508 421 D HA 0.381 5.016 4.640 -0.009 0.000 0.224 421 D C 2.093 178.385 176.300 -0.013 0.000 1.171 421 D CA 0.416 54.419 54.000 0.006 0.000 1.006 421 D CB 0.457 41.259 40.800 0.003 0.000 1.073 421 D HN 0.610 nan 8.370 nan 0.000 0.513 422 V N 0.944 120.851 119.914 -0.012 0.000 2.427 422 V HA -0.141 3.974 4.120 -0.009 0.000 0.248 422 V C 1.781 177.865 176.094 -0.018 0.000 1.051 422 V CA 1.568 63.861 62.300 -0.012 0.000 1.048 422 V CB -0.469 31.350 31.823 -0.006 0.000 0.666 422 V HN 0.237 nan 8.190 nan 0.000 0.456 423 D N 0.299 120.685 120.400 -0.024 0.000 2.224 423 D HA -0.154 4.480 4.640 -0.009 0.000 0.205 423 D C 2.314 178.589 176.300 -0.042 0.000 0.965 423 D CA 1.182 55.168 54.000 -0.023 0.000 0.852 423 D CB -0.201 40.586 40.800 -0.023 0.000 0.947 423 D HN 0.465 nan 8.370 nan 0.000 0.494 424 R N -0.148 120.304 120.500 -0.079 0.000 2.075 424 R HA -0.065 4.270 4.340 -0.009 0.000 0.232 424 R C 2.199 178.437 176.300 -0.104 0.000 1.126 424 R CA 0.838 56.856 56.100 -0.137 0.000 0.963 424 R CB -0.219 29.941 30.300 -0.233 0.000 0.858 424 R HN 0.252 nan 8.270 nan 0.000 0.435 425 L N 0.280 121.466 121.223 -0.061 0.000 2.046 425 L HA -0.176 4.158 4.340 -0.009 0.000 0.208 425 L C 2.912 179.790 176.870 0.014 0.000 1.077 425 L CA 1.566 56.388 54.840 -0.030 0.000 0.747 425 L CB -0.513 41.537 42.059 -0.015 0.000 0.896 425 L HN 0.284 nan 8.230 nan 0.000 0.432 426 R N 0.426 120.937 120.500 0.018 0.000 2.075 426 R HA -0.123 4.212 4.340 -0.009 0.000 0.232 426 R C 2.460 178.810 176.300 0.084 0.000 1.126 426 R CA 1.171 57.302 56.100 0.051 0.000 0.963 426 R CB -0.028 30.295 30.300 0.038 0.000 0.858 426 R HN 0.291 nan 8.270 nan 0.000 0.435 427 R N -0.235 120.298 120.500 0.055 0.000 2.092 427 R HA -0.037 4.298 4.340 -0.009 0.000 0.231 427 R C 2.182 178.569 176.300 0.146 0.000 1.119 427 R CA 1.624 57.782 56.100 0.097 0.000 0.970 427 R CB -0.125 30.194 30.300 0.033 0.000 0.864 427 R HN 0.317 nan 8.270 nan 0.000 0.440 428 M N 0.270 119.877 119.600 0.011 0.000 2.514 428 M HA 0.033 4.508 4.480 -0.009 0.000 0.258 428 M C 0.942 177.397 176.300 0.258 0.000 1.119 428 M CA 0.049 55.308 55.300 -0.068 0.000 1.111 428 M CB 0.312 32.713 32.600 -0.331 0.000 1.390 428 M HN -0.067 nan 8.290 nan 0.000 0.475 429 S N 0.836 116.697 115.700 0.267 0.000 2.558 429 S HA -0.009 4.456 4.470 -0.009 0.000 0.291 429 S C 0.960 175.812 174.600 0.419 0.000 1.306 429 S CA -0.331 58.055 58.200 0.310 0.000 1.056 429 S CB 0.615 63.942 63.200 0.211 0.000 0.836 429 S HN 0.227 nan 8.310 nan 0.000 0.504 430 L N 5.140 126.563 121.223 0.332 0.000 2.313 430 L HA 0.189 4.524 4.340 -0.009 0.000 0.214 430 L C 0.450 177.432 176.870 0.187 0.000 1.119 430 L CA 0.785 55.783 54.840 0.262 0.000 0.809 430 L CB -0.423 41.734 42.059 0.162 0.000 0.933 430 L HN 0.486 nan 8.230 nan 0.000 0.449 431 V N 0.218 120.253 119.914 0.203 0.000 2.383 431 V HA 0.198 4.312 4.120 -0.009 0.000 0.275 431 V C 0.200 176.384 176.094 0.150 0.000 1.036 431 V CA -0.871 61.535 62.300 0.178 0.000 0.889 431 V CB 1.151 33.113 31.823 0.230 0.000 0.985 431 V HN 0.153 nan 8.190 nan 0.000 0.459 432 E N 3.132 123.400 120.200 0.113 0.000 2.197 432 E HA 0.428 4.772 4.350 -0.009 0.000 0.281 432 E C -0.714 175.940 176.600 0.089 0.000 0.995 432 E CA -0.564 55.892 56.400 0.094 0.000 0.808 432 E CB 1.997 31.732 29.700 0.058 0.000 1.093 432 E HN 0.602 nan 8.360 nan 0.000 0.394 433 E N 0.736 120.985 120.200 0.081 0.000 2.280 433 E HA 0.669 5.014 4.350 -0.009 0.000 0.264 433 E C 0.052 176.689 176.600 0.063 0.000 1.064 433 E CA 0.168 56.611 56.400 0.072 0.000 0.900 433 E CB 1.620 31.357 29.700 0.061 0.000 1.123 433 E HN 0.642 nan 8.360 nan 0.000 0.418 434 G N -0.041 108.795 108.800 0.060 0.000 2.302 434 G HA2 0.241 4.195 3.960 -0.009 0.000 0.264 434 G HA3 0.241 4.195 3.960 -0.009 0.000 0.264 434 G C 0.500 175.435 174.900 0.057 0.000 1.335 434 G CA 0.308 45.440 45.100 0.053 0.000 0.982 434 G HN 0.637 nan 8.290 nan 0.000 0.473 435 A N -0.872 121.981 122.820 0.055 0.000 1.882 435 A HA 0.237 4.551 4.320 -0.009 0.000 0.220 435 A C 1.688 179.318 177.584 0.075 0.000 1.253 435 A CA 4.374 56.445 52.037 0.058 0.000 0.664 435 A CB -1.347 17.687 19.000 0.056 0.000 0.838 435 A HN 2.386 nan 8.150 nan 0.000 0.460 436 V N -3.887 116.082 119.914 0.092 0.000 2.656 436 V HA 0.574 4.689 4.120 -0.009 0.000 0.307 436 V C -0.410 175.755 176.094 0.118 0.000 1.051 436 V CA -1.375 61.001 62.300 0.127 0.000 0.893 436 V CB 1.546 33.474 31.823 0.174 0.000 0.999 436 V HN 0.351 nan 8.190 nan 0.000 0.426 437 K N 3.399 123.876 120.400 0.128 0.000 2.436 437 K HA 0.439 4.754 4.320 -0.009 0.000 0.275 437 K C -0.249 176.415 176.600 0.106 0.000 0.999 437 K CA 0.026 56.385 56.287 0.119 0.000 0.980 437 K CB 0.607 33.192 32.500 0.142 0.000 0.919 437 K HN 0.738 nan 8.250 nan 0.000 0.484 438 R N 1.848 122.402 120.500 0.091 0.000 2.808 438 R HA 0.470 4.805 4.340 -0.009 0.000 0.272 438 R C -0.827 175.512 176.300 0.065 0.000 0.995 438 R CA -1.024 55.119 56.100 0.073 0.000 0.917 438 R CB 1.318 31.646 30.300 0.047 0.000 1.217 438 R HN 0.361 nan 8.270 nan 0.000 0.471 439 I N 1.962 122.567 120.570 0.059 0.000 2.339 439 I HA 0.169 4.334 4.170 -0.009 0.000 0.290 439 I C -0.216 175.892 176.117 -0.014 0.000 0.994 439 I CA -0.775 60.548 61.300 0.039 0.000 1.191 439 I CB 1.228 39.249 38.000 0.035 0.000 1.343 439 I HN 0.505 nan 8.210 nan 0.000 0.458 440 N N 7.091 125.753 118.700 -0.064 0.000 2.402 440 N HA 0.090 4.825 4.740 -0.009 0.000 0.252 440 N C 0.810 176.227 175.510 -0.155 0.000 1.118 440 N CA -0.303 52.628 53.050 -0.198 0.000 0.945 440 N CB 0.995 39.222 38.487 -0.435 0.000 1.147 440 N HN 0.378 nan 8.380 nan 0.000 0.495 441 M N 2.543 122.057 119.600 -0.144 0.000 2.296 441 M HA -0.047 4.428 4.480 -0.009 0.000 0.265 441 M C 1.912 178.082 176.300 -0.217 0.000 1.064 441 M CA 0.648 55.881 55.300 -0.112 0.000 1.109 441 M CB -1.520 31.064 32.600 -0.027 0.000 1.396 441 M HN 0.610 nan 8.290 nan 0.000 0.430 442 A N -0.453 122.235 122.820 -0.220 0.000 1.930 442 A HA -0.165 4.150 4.320 -0.009 0.000 0.217 442 A C 1.979 179.351 177.584 -0.352 0.000 1.175 442 A CA 1.414 53.294 52.037 -0.262 0.000 0.627 442 A CB -1.094 17.954 19.000 0.080 0.000 0.815 442 A HN 0.591 nan 8.150 nan 0.000 0.443 443 H N -1.523 117.340 119.070 -0.344 0.000 2.389 443 H HA -0.089 4.462 4.556 -0.009 0.000 0.299 443 H C 2.085 177.179 175.328 -0.389 0.000 1.081 443 H CA 1.062 56.856 56.048 -0.423 0.000 1.345 443 H CB -0.003 29.723 29.762 -0.059 0.000 1.393 443 H HN 0.434 nan 8.280 nan 0.000 0.520 444 L N 0.659 121.796 121.223 -0.144 0.000 2.046 444 L HA -0.167 4.168 4.340 -0.009 0.000 0.208 444 L C 2.223 178.952 176.870 -0.236 0.000 1.077 444 L CA 1.440 56.193 54.840 -0.145 0.000 0.747 444 L CB -0.723 41.285 42.059 -0.085 0.000 0.896 444 L HN 0.290 nan 8.230 nan 0.000 0.432 445 C N -0.425 118.632 119.300 -0.406 0.000 2.425 445 C HA -0.110 4.345 4.460 -0.009 0.000 0.277 445 C C 2.711 177.430 174.990 -0.452 0.000 1.280 445 C CA 0.896 59.589 59.018 -0.542 0.000 1.744 445 C CB -0.918 26.106 27.740 -1.194 0.000 1.989 445 C HN 0.603 nan 8.230 nan 0.000 0.491 446 I N 1.375 121.632 120.570 -0.522 0.000 2.202 446 I HA -0.183 3.982 4.170 -0.009 0.000 0.242 446 I C 2.780 178.741 176.117 -0.261 0.000 1.091 446 I CA 1.607 62.650 61.300 -0.427 0.000 1.368 446 I CB -0.618 36.970 38.000 -0.688 0.000 1.058 446 I HN 0.254 nan 8.210 nan 0.000 0.410 447 A N 0.672 123.305 122.820 -0.312 0.000 1.933 447 A HA -0.119 4.196 4.320 -0.009 0.000 0.218 447 A C 2.202 179.830 177.584 0.073 0.000 1.175 447 A CA 1.935 53.840 52.037 -0.221 0.000 0.628 447 A CB -1.172 17.491 19.000 -0.561 0.000 0.814 447 A HN 0.488 nan 8.150 nan 0.000 0.444 448 G N -1.209 107.572 108.800 -0.031 0.000 3.284 448 G HA2 0.416 4.371 3.960 -0.009 0.000 0.236 448 G HA3 0.416 4.371 3.960 -0.009 0.000 0.236 448 G C 0.094 174.831 174.900 -0.272 0.000 1.158 448 G CA 0.485 45.451 45.100 -0.224 0.000 0.774 448 G HN 0.346 nan 8.290 nan 0.000 0.545 449 S N -0.364 115.229 115.700 -0.178 0.000 2.536 449 S HA 0.324 4.789 4.470 -0.009 0.000 0.298 449 S C 0.708 175.247 174.600 -0.101 0.000 1.083 449 S CA -0.715 57.406 58.200 -0.133 0.000 0.995 449 S CB 1.276 64.404 63.200 -0.120 0.000 1.058 449 S HN 0.504 nan 8.310 nan 0.000 0.488 450 H N -0.079 118.949 119.070 -0.070 0.000 2.548 450 H HA 0.509 5.060 4.556 -0.009 0.000 0.265 450 H C 0.114 175.419 175.328 -0.039 0.000 0.969 450 H CA 0.249 56.279 56.048 -0.030 0.000 1.155 450 H CB 0.144 29.907 29.762 0.002 0.000 1.394 450 H HN 0.510 nan 8.280 nan 0.000 0.570 451 A N 0.866 123.367 122.820 -0.533 0.000 2.520 451 A HA 0.562 4.877 4.320 -0.009 0.000 0.298 451 A C -1.473 175.904 177.584 -0.344 0.000 1.051 451 A CA -0.568 51.216 52.037 -0.422 0.000 0.690 451 A CB 2.236 20.957 19.000 -0.464 0.000 1.281 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.080 123.758 119.914 -0.392 0.000 2.577 452 V HA 0.536 4.651 4.120 -0.009 0.000 0.303 452 V C -0.845 175.059 176.094 -0.317 0.000 1.042 452 V CA -0.763 61.302 62.300 -0.391 0.000 0.872 452 V CB 1.831 33.272 31.823 -0.637 0.000 0.998 452 V HN 1.037 nan 8.190 nan 0.000 0.423 453 N N 3.079 121.615 118.700 -0.272 0.000 2.262 453 N HA 0.646 5.381 4.740 -0.009 0.000 0.295 453 N C -0.292 175.110 175.510 -0.179 0.000 1.161 453 N CA -0.379 52.553 53.050 -0.197 0.000 0.767 453 N CB 2.892 41.242 38.487 -0.229 0.000 1.499 453 N HN 0.637 nan 8.380 nan 0.000 0.476 454 G N -0.941 107.788 108.800 -0.118 0.000 2.531 454 G HA2 0.438 4.393 3.960 -0.009 0.000 0.313 454 G HA3 0.438 4.393 3.960 -0.009 0.000 0.313 454 G C 0.686 175.639 174.900 0.089 0.000 1.238 454 G CA -0.528 44.541 45.100 -0.051 0.000 0.994 454 G HN 0.629 nan 8.290 nan 0.000 0.493 455 V N -3.605 116.489 119.914 0.301 0.000 3.319 455 V HA 0.694 4.809 4.120 -0.009 0.000 0.317 455 V C 0.542 176.720 176.094 0.139 0.000 1.411 455 V CA 0.320 62.710 62.300 0.150 0.000 1.112 455 V CB -0.777 31.095 31.823 0.082 0.000 1.031 455 V HN 1.334 nan 8.190 nan 0.000 0.448 456 A N -0.135 122.775 122.820 0.151 0.000 2.605 456 A HA 0.663 4.977 4.320 -0.009 0.000 0.294 456 A C 0.578 178.212 177.584 0.083 0.000 1.062 456 A CA -0.148 51.955 52.037 0.110 0.000 0.682 456 A CB 1.228 20.284 19.000 0.092 0.000 1.278 456 A HN 0.065 nan 8.150 nan 0.000 0.410 457 R N 0.918 121.446 120.500 0.047 0.000 2.096 457 R HA -0.166 4.169 4.340 -0.009 0.000 0.240 457 R C 1.757 178.057 176.300 -0.001 0.000 1.139 457 R CA 2.376 58.482 56.100 0.010 0.000 0.952 457 R CB -0.268 30.033 30.300 0.001 0.000 0.854 457 R HN 0.810 nan 8.270 nan 0.000 0.436 458 I N 0.104 120.683 120.570 0.015 0.000 2.286 458 I HA -0.289 3.876 4.170 -0.009 0.000 0.248 458 I C 2.223 178.352 176.117 0.019 0.000 1.115 458 I CA 1.808 63.109 61.300 0.003 0.000 1.392 458 I CB -0.189 37.812 38.000 0.002 0.000 1.065 458 I HN 0.363 nan 8.210 nan 0.000 0.418 459 H N 0.326 119.366 119.070 -0.051 0.000 2.326 459 H HA -0.110 4.441 4.556 -0.009 0.000 0.301 459 H C 2.277 177.564 175.328 -0.068 0.000 1.081 459 H CA 2.182 58.192 56.048 -0.063 0.000 1.334 459 H CB -0.316 29.415 29.762 -0.052 0.000 1.385 459 H HN 0.238 nan 8.280 nan 0.000 0.504 460 S N 0.425 116.004 115.700 -0.202 0.000 2.382 460 S HA -0.135 4.330 4.470 -0.009 0.000 0.228 460 S C 1.906 176.381 174.600 -0.208 0.000 1.027 460 S CA 1.264 59.320 58.200 -0.239 0.000 0.991 460 S CB -0.088 63.045 63.200 -0.112 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.156 121.260 120.200 -0.160 0.000 2.072 461 E HA -0.006 4.339 4.350 -0.009 0.000 0.191 461 E C 2.042 178.527 176.600 -0.192 0.000 0.985 461 E CA 0.667 56.964 56.400 -0.172 0.000 0.801 461 E CB -0.391 29.240 29.700 -0.116 0.000 0.750 461 E HN 0.506 nan 8.360 nan 0.000 0.452 462 I N 1.024 121.496 120.570 -0.163 0.000 2.264 462 I HA -0.277 3.887 4.170 -0.009 0.000 0.248 462 I C 2.403 178.391 176.117 -0.215 0.000 1.111 462 I CA 0.799 62.007 61.300 -0.154 0.000 1.382 462 I CB -0.243 37.698 38.000 -0.098 0.000 1.060 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.374 121.428 121.223 -0.282 0.000 2.046 463 L HA -0.228 4.107 4.340 -0.009 0.000 0.208 463 L C 2.451 179.190 176.870 -0.218 0.000 1.077 463 L CA 1.579 56.249 54.840 -0.283 0.000 0.747 463 L CB -0.540 41.401 42.059 -0.195 0.000 0.896 463 L HN 0.210 nan 8.230 nan 0.000 0.432 464 K N -0.080 120.128 120.400 -0.320 0.000 2.228 464 K HA -0.088 4.227 4.320 -0.009 0.000 0.202 464 K C 1.980 178.382 176.600 -0.329 0.000 1.051 464 K CA 0.805 56.777 56.287 -0.525 0.000 0.960 464 K CB 0.107 32.039 32.500 -0.947 0.000 0.743 464 K HN 0.280 nan 8.250 nan 0.000 0.458 465 K N -0.025 120.236 120.400 -0.232 0.000 2.262 465 K HA -0.022 4.293 4.320 -0.009 0.000 0.200 465 K C 1.842 178.387 176.600 -0.092 0.000 1.049 465 K CA 1.363 57.566 56.287 -0.139 0.000 0.979 465 K CB 0.456 32.884 32.500 -0.120 0.000 0.773 465 K HN 0.240 nan 8.250 nan 0.000 0.474 466 T N -1.505 112.985 114.554 -0.107 0.000 3.257 466 T HA 0.108 4.453 4.350 -0.009 0.000 0.176 466 T C 1.697 176.356 174.700 -0.068 0.000 0.892 466 T CA -0.424 61.627 62.100 -0.080 0.000 1.147 466 T CB -0.384 68.428 68.868 -0.092 0.000 1.840 466 T HN -0.219 nan 8.240 nan 0.000 0.375 467 I N 1.429 121.901 120.570 -0.164 0.000 2.143 467 I HA -0.121 4.044 4.170 -0.009 0.000 0.245 467 I C 1.792 177.892 176.117 -0.028 0.000 1.068 467 I CA 1.944 63.097 61.300 -0.245 0.000 1.326 467 I CB -1.438 36.174 38.000 -0.646 0.000 1.028 467 I HN 0.389 nan 8.210 nan 0.000 0.412 468 F N 0.104 120.117 119.950 0.106 0.000 2.708 468 F HA 0.185 4.707 4.527 -0.009 0.000 0.300 468 F C 1.948 177.831 175.800 0.138 0.000 1.118 468 F CA -0.488 57.647 58.000 0.225 0.000 1.307 468 F CB 0.093 39.223 39.000 0.217 0.000 0.986 468 F HN -0.034 nan 8.300 nan 0.000 0.522 469 K N 1.115 121.629 120.400 0.190 0.000 2.059 469 K HA -0.229 4.085 4.320 -0.009 0.000 0.212 469 K C 1.368 178.024 176.600 0.094 0.000 1.050 469 K CA 2.256 58.597 56.287 0.091 0.000 0.927 469 K CB -0.038 32.480 32.500 0.031 0.000 0.714 469 K HN 0.175 nan 8.250 nan 0.000 0.447 470 D N -0.193 120.236 120.400 0.048 0.000 2.123 470 D HA -0.170 4.465 4.640 -0.009 0.000 0.196 470 D C 1.840 178.051 176.300 -0.147 0.000 0.992 470 D CA 1.292 55.196 54.000 -0.161 0.000 0.833 470 D CB -0.287 40.318 40.800 -0.326 0.000 0.954 470 D HN 0.255 nan 8.370 nan 0.000 0.455 471 F N -0.155 119.868 119.950 0.122 0.000 2.206 471 F HA -0.137 4.385 4.527 -0.009 0.000 0.298 471 F C 2.340 178.283 175.800 0.238 0.000 1.090 471 F CA 0.461 58.607 58.000 0.243 0.000 1.323 471 F CB -0.644 38.558 39.000 0.336 0.000 1.028 471 F HN -0.037 nan 8.300 nan 0.000 0.492 472 Y N 1.454 121.733 120.300 -0.036 0.000 2.181 472 Y HA -0.196 4.349 4.550 -0.009 0.000 0.288 472 Y C 2.100 177.993 175.900 -0.011 0.000 1.146 472 Y CA 1.621 59.516 58.100 -0.342 0.000 1.164 472 Y CB -0.648 37.438 38.460 -0.622 0.000 0.982 472 Y HN 0.141 nan 8.280 nan 0.000 0.515 473 E N -0.417 119.730 120.200 -0.087 0.000 2.150 473 E HA -0.193 4.152 4.350 -0.009 0.000 0.193 473 E C 1.996 178.647 176.600 0.086 0.000 0.985 473 E CA 1.206 57.561 56.400 -0.074 0.000 0.814 473 E CB -0.267 29.430 29.700 -0.006 0.000 0.752 473 E HN 0.434 nan 8.360 nan 0.000 0.466 474 L N 0.961 122.279 121.223 0.159 0.000 2.068 474 L HA -0.042 4.293 4.340 -0.009 0.000 0.204 474 L C 0.270 177.242 176.870 0.170 0.000 1.076 474 L CA 1.671 56.643 54.840 0.219 0.000 0.753 474 L CB 0.375 42.560 42.059 0.210 0.000 0.910 474 L HN -0.109 nan 8.230 nan 0.000 0.439 475 E N 0.108 120.415 120.200 0.179 0.000 3.386 475 E HA 0.184 4.529 4.350 -0.009 0.000 0.236 475 E C -1.992 174.604 176.600 -0.008 0.000 1.227 475 E CA -1.279 55.165 56.400 0.074 0.000 0.970 475 E CB 0.777 30.492 29.700 0.025 0.000 1.343 475 E HN 0.213 nan 8.360 nan 0.000 0.397 476 P HA -0.258 nan 4.420 nan 0.000 0.218 476 P C 1.207 178.628 177.300 0.201 0.000 1.148 476 P CA 1.441 64.500 63.100 -0.069 0.000 0.822 476 P CB -0.027 31.495 31.700 -0.296 0.000 0.784 477 H N 0.348 119.522 119.070 0.173 0.000 2.489 477 H HA 0.033 4.584 4.556 -0.009 0.000 0.293 477 H C 1.487 176.902 175.328 0.145 0.000 1.066 477 H CA 0.896 57.033 56.048 0.148 0.000 1.305 477 H CB -0.806 29.015 29.762 0.098 0.000 1.386 477 H HN 0.177 nan 8.280 nan 0.000 0.551 478 K N 0.287 120.530 120.400 -0.260 0.000 2.217 478 K HA 0.032 4.347 4.320 -0.009 0.000 0.202 478 K C -0.073 176.352 176.600 -0.292 0.000 1.051 478 K CA 0.234 56.358 56.287 -0.273 0.000 0.952 478 K CB 0.061 32.284 32.500 -0.462 0.000 0.736 478 K HN 0.105 nan 8.250 nan 0.000 0.453 479 F N 1.953 121.921 119.950 0.031 0.000 2.438 479 F HA 0.137 4.658 4.527 -0.009 0.000 0.356 479 F C 0.570 176.371 175.800 0.002 0.000 1.099 479 F CA -0.006 58.019 58.000 0.042 0.000 1.185 479 F CB 0.767 39.852 39.000 0.141 0.000 1.115 479 F HN -0.076 nan 8.300 nan 0.000 0.526 480 Q N 1.778 121.602 119.800 0.039 0.000 2.605 480 Q HA 0.379 4.714 4.340 -0.009 0.000 0.296 480 Q C -1.162 174.795 176.000 -0.071 0.000 1.056 480 Q CA -1.291 54.492 55.803 -0.033 0.000 0.778 480 Q CB 3.043 31.709 28.738 -0.120 0.000 1.497 480 Q HN 0.631 nan 8.270 nan 0.000 0.443 481 N N 0.554 119.192 118.700 -0.104 0.000 2.238 481 N HA 0.289 5.024 4.740 -0.009 0.000 0.302 481 N C -1.556 173.852 175.510 -0.171 0.000 1.072 481 N CA -0.414 52.572 53.050 -0.106 0.000 0.792 481 N CB 1.187 39.635 38.487 -0.065 0.000 1.425 481 N HN 0.284 nan 8.380 nan 0.000 0.478 482 K N 2.683 122.984 120.400 -0.166 0.000 2.723 482 K HA 0.188 4.503 4.320 -0.009 0.000 0.229 482 K C -0.962 175.637 176.600 -0.002 0.000 1.022 482 K CA -0.473 55.684 56.287 -0.217 0.000 1.045 482 K CB 1.204 33.338 32.500 -0.610 0.000 1.227 482 K HN 0.552 nan 8.250 nan 0.000 0.516 483 T N 2.045 116.619 114.554 0.032 0.000 2.928 483 T HA 0.060 4.405 4.350 -0.009 0.000 0.305 483 T C 0.821 175.647 174.700 0.210 0.000 1.035 483 T CA 0.367 62.540 62.100 0.122 0.000 1.145 483 T CB 0.331 69.272 68.868 0.122 0.000 0.963 483 T HN 0.358 nan 8.240 nan 0.000 0.545 484 N N 0.480 119.330 118.700 0.250 0.000 2.297 484 N HA 0.426 5.161 4.740 -0.009 0.000 0.232 484 N C 0.450 176.152 175.510 0.319 0.000 1.311 484 N CA -0.196 53.041 53.050 0.311 0.000 0.897 484 N CB 0.385 38.997 38.487 0.208 0.000 1.137 484 N HN 0.761 nan 8.380 nan 0.000 0.449 485 G N -0.742 108.255 108.800 0.329 0.000 2.608 485 G HA2 0.564 4.519 3.960 -0.009 0.000 0.291 485 G HA3 0.564 4.519 3.960 -0.009 0.000 0.291 485 G C -1.469 173.571 174.900 0.232 0.000 1.425 485 G CA -0.742 44.535 45.100 0.295 0.000 0.787 485 G HN 0.594 nan 8.290 nan 0.000 0.484 486 I N -2.274 118.416 120.570 0.200 0.000 2.828 486 I HA 0.762 4.927 4.170 -0.009 0.000 0.302 486 I C -0.231 176.045 176.117 0.265 0.000 1.101 486 I CA -0.945 60.465 61.300 0.182 0.000 1.031 486 I CB 2.434 40.434 38.000 -0.001 0.000 1.231 486 I HN 0.506 nan 8.210 nan 0.000 0.427 487 T N 4.298 119.063 114.554 0.352 0.000 2.814 487 T HA 0.342 4.687 4.350 -0.009 0.000 0.297 487 T C -1.367 173.454 174.700 0.202 0.000 0.956 487 T CA -1.589 60.645 62.100 0.222 0.000 1.123 487 T CB 0.747 69.694 68.868 0.131 0.000 0.902 487 T HN 0.643 nan 8.240 nan 0.000 0.528 488 P HA 0.048 nan 4.420 nan 0.000 0.237 488 P C 1.034 178.304 177.300 -0.049 0.000 1.178 488 P CA 0.289 63.428 63.100 0.065 0.000 0.766 488 P CB 0.391 32.114 31.700 0.039 0.000 0.876 489 R N 0.473 120.900 120.500 -0.122 0.000 2.056 489 R HA 0.029 4.363 4.340 -0.009 0.000 0.227 489 R C 2.713 178.895 176.300 -0.197 0.000 1.149 489 R CA 1.493 57.478 56.100 -0.192 0.000 0.937 489 R CB -1.176 29.016 30.300 -0.180 0.000 0.835 489 R HN 0.045 nan 8.270 nan 0.000 0.430 490 R N -0.795 119.531 120.500 -0.289 0.000 2.075 490 R HA -0.108 4.227 4.340 -0.009 0.000 0.232 490 R C 1.046 176.971 176.300 -0.626 0.000 1.126 490 R CA 1.529 57.301 56.100 -0.547 0.000 0.963 490 R CB -0.167 29.628 30.300 -0.843 0.000 0.858 490 R HN 0.283 nan 8.270 nan 0.000 0.435 491 W N -0.081 121.177 121.300 -0.070 0.000 3.405 491 W HA 0.138 4.793 4.660 -0.010 0.000 0.300 491 W C 0.968 177.458 176.519 -0.048 0.000 1.286 491 W CA -0.629 56.673 57.345 -0.070 0.000 1.762 491 W CB 0.379 29.801 29.460 -0.063 0.000 1.087 491 W HN 0.236 nan 8.180 nan 0.000 0.703 492 L N -2.395 118.876 121.223 0.080 0.000 2.376 492 L HA 0.178 4.513 4.340 -0.009 0.000 0.153 492 L C 1.749 178.635 176.870 0.026 0.000 1.272 492 L CA 0.745 55.633 54.840 0.081 0.000 1.005 492 L CB -0.860 41.274 42.059 0.125 0.000 2.027 492 L HN -0.260 nan 8.230 nan 0.000 0.495 493 V N 1.215 121.121 119.914 -0.013 0.000 2.287 493 V HA -0.273 3.842 4.120 -0.009 0.000 0.248 493 V C 2.454 178.520 176.094 -0.047 0.000 1.053 493 V CA 2.502 64.785 62.300 -0.029 0.000 1.027 493 V CB -0.671 31.105 31.823 -0.078 0.000 0.646 493 V HN 0.514 nan 8.190 nan 0.000 0.447 494 L N 0.494 121.658 121.223 -0.098 0.000 2.023 494 L HA -0.185 4.150 4.340 -0.009 0.000 0.205 494 L C 2.506 179.310 176.870 -0.110 0.000 1.073 494 L CA 2.399 57.166 54.840 -0.122 0.000 0.745 494 L CB -0.280 41.657 42.059 -0.204 0.000 0.900 494 L HN 0.656 nan 8.230 nan 0.000 0.435 495 C N -1.636 117.590 119.300 -0.123 0.000 2.563 495 C HA 0.183 4.638 4.460 -0.009 0.000 0.268 495 C C 1.194 176.166 174.990 -0.029 0.000 1.365 495 C CA -0.268 58.698 59.018 -0.086 0.000 1.754 495 C CB -1.064 26.620 27.740 -0.093 0.000 1.932 495 C HN 0.600 nan 8.230 nan 0.000 0.536 496 N N 1.120 119.815 118.700 -0.009 0.000 2.703 496 N HA 0.267 5.002 4.740 -0.009 0.000 0.283 496 N C -1.658 173.864 175.510 0.021 0.000 1.851 496 N CA -1.564 51.493 53.050 0.012 0.000 0.826 496 N CB 0.738 39.242 38.487 0.028 0.000 1.239 496 N HN 0.253 nan 8.380 nan 0.000 0.495 497 P HA -0.080 nan 4.420 nan 0.000 0.216 497 P C 1.398 178.715 177.300 0.028 0.000 1.150 497 P CA 1.031 64.143 63.100 0.020 0.000 0.837 497 P CB 0.218 31.922 31.700 0.007 0.000 0.786 498 G N 0.523 109.334 108.800 0.019 0.000 2.440 498 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.218 498 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.218 498 G C 1.548 176.459 174.900 0.019 0.000 1.154 498 G CA 0.698 45.807 45.100 0.015 0.000 0.767 498 G HN 0.259 nan 8.290 nan 0.000 0.552 499 L N 1.154 122.391 121.223 0.023 0.000 2.072 499 L HA 0.303 4.638 4.340 -0.009 0.000 0.205 499 L C 3.043 179.949 176.870 0.060 0.000 1.079 499 L CA 1.937 56.791 54.840 0.024 0.000 0.752 499 L CB -0.676 41.398 42.059 0.025 0.000 0.906 499 L HN 0.218 nan 8.230 nan 0.000 0.436 500 A N -0.795 122.081 122.820 0.094 0.000 1.933 500 A HA -0.239 4.076 4.320 -0.009 0.000 0.218 500 A C 2.232 179.918 177.584 0.169 0.000 1.175 500 A CA 1.760 53.907 52.037 0.183 0.000 0.628 500 A CB -0.623 18.477 19.000 0.166 0.000 0.814 500 A HN 0.528 nan 8.150 nan 0.000 0.444 501 E N 0.684 120.944 120.200 0.099 0.000 2.047 501 E HA -0.156 4.189 4.350 -0.009 0.000 0.191 501 E C 1.859 178.501 176.600 0.069 0.000 0.987 501 E CA 1.572 58.019 56.400 0.079 0.000 0.799 501 E CB -0.503 29.225 29.700 0.046 0.000 0.752 501 E HN 0.737 nan 8.360 nan 0.000 0.449 502 I N -1.748 118.858 120.570 0.060 0.000 2.454 502 I HA -0.133 4.032 4.170 -0.009 0.000 0.254 502 I C 2.088 178.276 176.117 0.118 0.000 1.156 502 I CA 1.081 62.429 61.300 0.081 0.000 1.433 502 I CB -0.321 37.715 38.000 0.060 0.000 1.082 502 I HN 0.026 nan 8.210 nan 0.000 0.432 503 I N 1.887 122.503 120.570 0.076 0.000 2.233 503 I HA -0.151 4.014 4.170 -0.009 0.000 0.243 503 I C 3.017 179.081 176.117 -0.089 0.000 1.093 503 I CA 1.215 62.485 61.300 -0.050 0.000 1.380 503 I CB -0.440 37.414 38.000 -0.244 0.000 1.067 503 I HN 0.284 nan 8.210 nan 0.000 0.413 504 A N 0.486 123.347 122.820 0.070 0.000 1.933 504 A HA -0.232 4.083 4.320 -0.009 0.000 0.218 504 A C 2.146 179.761 177.584 0.052 0.000 1.175 504 A CA 1.625 53.757 52.037 0.158 0.000 0.628 504 A CB -0.601 18.528 19.000 0.214 0.000 0.814 504 A HN 0.441 nan 8.150 nan 0.000 0.444 505 E N -0.702 119.508 120.200 0.018 0.000 2.160 505 E HA -0.199 4.146 4.350 -0.009 0.000 0.195 505 E C 2.238 178.800 176.600 -0.063 0.000 0.991 505 E CA 1.106 57.501 56.400 -0.009 0.000 0.810 505 E CB -0.059 29.640 29.700 -0.003 0.000 0.742 505 E HN 0.487 nan 8.360 nan 0.000 0.466 506 R N 0.160 120.565 120.500 -0.158 0.000 2.087 506 R HA 0.076 4.410 4.340 -0.009 0.000 0.216 506 R C 2.317 178.541 176.300 -0.126 0.000 1.114 506 R CA 0.892 56.824 56.100 -0.280 0.000 1.002 506 R CB -0.156 29.665 30.300 -0.799 0.000 0.903 506 R HN 0.319 nan 8.270 nan 0.000 0.445 507 I N -2.996 117.517 120.570 -0.096 0.000 4.081 507 I HA 0.433 4.598 4.170 -0.009 0.000 0.333 507 I C 0.347 176.506 176.117 0.069 0.000 1.413 507 I CA 0.019 61.317 61.300 -0.003 0.000 1.110 507 I CB 0.825 38.812 38.000 -0.023 0.000 1.082 507 I HN 0.171 nan 8.210 nan 0.000 0.402 508 G N 2.212 111.064 108.800 0.086 0.000 2.685 508 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.387 508 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.387 508 G C -0.120 174.918 174.900 0.230 0.000 1.324 508 G CA 0.072 45.246 45.100 0.123 0.000 0.878 508 G HN 0.453 nan 8.290 nan 0.000 0.527 509 E N -0.372 119.915 120.200 0.144 0.000 2.481 509 E HA 0.088 4.432 4.350 -0.009 0.000 0.198 509 E C 1.745 178.302 176.600 -0.072 0.000 1.027 509 E CA -0.070 56.358 56.400 0.048 0.000 0.900 509 E CB 0.394 30.107 29.700 0.022 0.000 0.993 509 E HN 0.468 nan 8.360 nan 0.000 0.482 510 E N 0.754 120.984 120.200 0.050 0.000 2.209 510 E HA -0.191 4.154 4.350 -0.009 0.000 0.196 510 E C 1.733 178.334 176.600 0.000 0.000 0.993 510 E CA 0.989 57.408 56.400 0.031 0.000 0.819 510 E CB -0.058 29.684 29.700 0.069 0.000 0.745 510 E HN 0.533 nan 8.360 nan 0.000 0.477 511 Y N -0.957 119.348 120.300 0.008 0.000 2.403 511 Y HA -0.047 4.499 4.550 -0.007 0.000 0.291 511 Y C 1.973 177.850 175.900 -0.038 0.000 1.143 511 Y CA 0.565 58.661 58.100 -0.006 0.000 1.257 511 Y CB -0.835 37.626 38.460 0.002 0.000 0.984 511 Y HN -0.081 nan 8.280 nan 0.000 0.550 512 I N 0.949 121.037 120.570 -0.804 0.000 2.423 512 I HA -0.242 3.922 4.170 -0.009 0.000 0.254 512 I C 1.683 177.542 176.117 -0.431 0.000 1.151 512 I CA 1.849 62.724 61.300 -0.709 0.000 1.421 512 I CB -0.394 37.098 38.000 -0.846 0.000 1.079 512 I HN 0.495 nan 8.210 nan 0.000 0.431 513 S N -2.152 113.406 115.700 -0.238 0.000 2.650 513 S HA 0.168 4.633 4.470 -0.009 0.000 0.240 513 S C 0.157 174.740 174.600 -0.028 0.000 1.007 513 S CA -0.484 57.653 58.200 -0.104 0.000 0.984 513 S CB 0.368 63.577 63.200 0.015 0.000 0.910 513 S HN 0.293 nan 8.310 nan 0.000 0.509 514 D N 0.685 121.077 120.400 -0.014 0.000 2.934 514 D HA 0.218 4.853 4.640 -0.009 0.000 0.249 514 D C 0.394 176.734 176.300 0.068 0.000 1.293 514 D CA -0.383 53.633 54.000 0.027 0.000 0.812 514 D CB 0.349 41.170 40.800 0.036 0.000 1.439 514 D HN 0.089 nan 8.370 nan 0.000 0.555 515 L N 1.202 122.466 121.223 0.067 0.000 2.261 515 L HA -0.057 4.278 4.340 -0.009 0.000 0.216 515 L C 1.422 178.344 176.870 0.088 0.000 1.114 515 L CA 1.622 56.532 54.840 0.116 0.000 0.777 515 L CB -0.098 42.020 42.059 0.099 0.000 0.910 515 L HN 0.280 nan 8.230 nan 0.000 0.440 516 D N -0.873 119.555 120.400 0.046 0.000 2.309 516 D HA -0.200 4.435 4.640 -0.009 0.000 0.212 516 D C 1.918 178.239 176.300 0.036 0.000 0.968 516 D CA 0.742 54.755 54.000 0.022 0.000 0.882 516 D CB 0.066 40.866 40.800 -0.001 0.000 0.918 516 D HN 0.559 nan 8.370 nan 0.000 0.503 517 Q N -0.090 119.750 119.800 0.066 0.000 2.437 517 Q HA -0.009 4.326 4.340 -0.009 0.000 0.210 517 Q C 2.188 178.210 176.000 0.037 0.000 0.972 517 Q CA 0.163 56.005 55.803 0.065 0.000 0.903 517 Q CB 0.089 28.893 28.738 0.110 0.000 0.967 517 Q HN 0.371 nan 8.270 nan 0.000 0.486 518 L N 0.097 121.338 121.223 0.030 0.000 2.353 518 L HA -0.171 4.163 4.340 -0.009 0.000 0.220 518 L C 2.394 179.264 176.870 -0.001 0.000 1.133 518 L CA 0.766 55.591 54.840 -0.025 0.000 0.798 518 L CB -0.320 41.737 42.059 -0.003 0.000 0.922 518 L HN 0.186 nan 8.230 nan 0.000 0.445 519 R N 0.778 121.286 120.500 0.013 0.000 2.193 519 R HA -0.155 4.179 4.340 -0.009 0.000 0.229 519 R C 2.036 178.342 176.300 0.009 0.000 1.110 519 R CA 0.984 57.091 56.100 0.013 0.000 0.988 519 R CB 0.063 30.366 30.300 0.005 0.000 0.871 519 R HN 0.306 nan 8.270 nan 0.000 0.458 520 K N 0.164 120.569 120.400 0.009 0.000 2.280 520 K HA -0.102 4.212 4.320 -0.009 0.000 0.202 520 K C 1.666 178.297 176.600 0.051 0.000 1.047 520 K CA 0.854 57.150 56.287 0.015 0.000 0.942 520 K CB 0.001 32.519 32.500 0.029 0.000 0.739 520 K HN 0.264 nan 8.250 nan 0.000 0.457 521 L N 0.852 122.105 121.223 0.051 0.000 2.465 521 L HA -0.102 4.233 4.340 -0.009 0.000 0.224 521 L C 1.907 178.846 176.870 0.115 0.000 1.145 521 L CA 0.444 55.344 54.840 0.099 0.000 0.834 521 L CB -0.320 41.758 42.059 0.032 0.000 0.944 521 L HN 0.196 nan 8.230 nan 0.000 0.451 522 L N -0.322 120.930 121.223 0.048 0.000 2.191 522 L HA -0.167 4.168 4.340 -0.009 0.000 0.212 522 L C 2.523 179.377 176.870 -0.028 0.000 1.103 522 L CA 1.350 56.206 54.840 0.026 0.000 0.769 522 L CB -0.429 41.633 42.059 0.004 0.000 0.908 522 L HN 0.395 nan 8.230 nan 0.000 0.438 523 S N -1.986 113.638 115.700 -0.126 0.000 2.660 523 S HA -0.069 4.395 4.470 -0.009 0.000 0.223 523 S C 0.994 175.325 174.600 -0.448 0.000 0.963 523 S CA 0.242 58.270 58.200 -0.287 0.000 0.932 523 S CB -0.314 62.654 63.200 -0.387 0.000 0.775 523 S HN 0.425 nan 8.310 nan 0.000 0.531 524 Y N -0.548 119.698 120.300 -0.090 0.000 2.500 524 Y HA 0.418 4.966 4.550 -0.003 0.000 0.246 524 Y C 1.891 177.837 175.900 0.076 0.000 1.146 524 Y CA -0.678 57.369 58.100 -0.088 0.000 1.230 524 Y CB 0.178 38.399 38.460 -0.398 0.000 1.214 524 Y HN 0.269 nan 8.280 nan 0.000 0.526 525 V N 0.419 120.435 119.914 0.170 0.000 2.867 525 V HA -0.207 3.908 4.120 -0.009 0.000 0.260 525 V C 0.826 176.993 176.094 0.123 0.000 1.099 525 V CA 2.241 64.636 62.300 0.159 0.000 1.122 525 V CB -0.028 31.848 31.823 0.088 0.000 0.708 525 V HN 0.314 nan 8.190 nan 0.000 0.490 526 D N -0.631 119.825 120.400 0.093 0.000 2.431 526 D HA 0.135 4.770 4.640 -0.009 0.000 0.213 526 D C 0.220 176.574 176.300 0.090 0.000 1.130 526 D CA -0.007 54.034 54.000 0.069 0.000 0.834 526 D CB 0.162 40.979 40.800 0.028 0.000 0.985 526 D HN 0.443 nan 8.370 nan 0.000 0.504 527 D N 1.406 121.898 120.400 0.154 0.000 2.365 527 D HA -0.008 4.627 4.640 -0.009 0.000 0.237 527 D C 1.244 177.651 176.300 0.177 0.000 1.190 527 D CA -0.095 54.015 54.000 0.183 0.000 0.867 527 D CB 1.464 42.447 40.800 0.305 0.000 1.050 527 D HN -0.234 nan 8.370 nan 0.000 0.491 528 E N 3.311 123.579 120.200 0.113 0.000 2.160 528 E HA -0.180 4.165 4.350 -0.009 0.000 0.195 528 E C 1.674 178.326 176.600 0.087 0.000 0.991 528 E CA 1.551 58.001 56.400 0.083 0.000 0.810 528 E CB -0.041 29.692 29.700 0.054 0.000 0.742 528 E HN 0.586 nan 8.360 nan 0.000 0.466 529 A N -0.331 122.556 122.820 0.112 0.000 1.855 529 A HA -0.137 4.178 4.320 -0.009 0.000 0.215 529 A C 2.258 179.923 177.584 0.135 0.000 1.191 529 A CA 1.355 53.455 52.037 0.104 0.000 0.613 529 A CB -1.026 18.038 19.000 0.107 0.000 0.829 529 A HN 0.444 nan 8.150 nan 0.000 0.442 530 F N 0.473 120.431 119.950 0.013 0.000 2.134 530 F HA -0.163 4.360 4.527 -0.008 0.000 0.299 530 F C 2.073 177.874 175.800 0.001 0.000 1.097 530 F CA 1.608 59.598 58.000 -0.017 0.000 1.264 530 F CB -0.098 38.894 39.000 -0.014 0.000 1.001 530 F HN 0.164 nan 8.300 nan 0.000 0.479 531 I N 0.117 120.713 120.570 0.043 0.000 2.208 531 I HA -0.347 3.818 4.170 -0.009 0.000 0.245 531 I C 2.564 178.624 176.117 -0.094 0.000 1.097 531 I CA 1.610 62.881 61.300 -0.049 0.000 1.363 531 I CB -0.516 37.505 38.000 0.037 0.000 1.051 531 I HN 0.131 nan 8.210 nan 0.000 0.413 532 R N 0.915 121.385 120.500 -0.050 0.000 2.075 532 R HA -0.173 4.162 4.340 -0.009 0.000 0.232 532 R C 1.893 178.139 176.300 -0.089 0.000 1.126 532 R CA 1.754 57.823 56.100 -0.052 0.000 0.963 532 R CB -0.088 30.201 30.300 -0.019 0.000 0.858 532 R HN 0.270 nan 8.270 nan 0.000 0.435 533 D N -0.186 120.142 120.400 -0.120 0.000 2.117 533 D HA -0.125 4.510 4.640 -0.009 0.000 0.198 533 D C 1.945 178.118 176.300 -0.212 0.000 0.982 533 D CA 1.212 55.128 54.000 -0.140 0.000 0.828 533 D CB -0.175 40.557 40.800 -0.113 0.000 0.967 533 D HN 0.087 nan 8.370 nan 0.000 0.464 534 V N 1.558 121.251 119.914 -0.368 0.000 2.287 534 V HA -0.260 3.855 4.120 -0.009 0.000 0.248 534 V C 2.543 178.543 176.094 -0.157 0.000 1.053 534 V CA 1.945 64.043 62.300 -0.336 0.000 1.027 534 V CB -0.814 30.739 31.823 -0.450 0.000 0.646 534 V HN 0.191 nan 8.190 nan 0.000 0.447 535 A N -0.490 122.257 122.820 -0.122 0.000 1.972 535 A HA -0.248 4.067 4.320 -0.009 0.000 0.219 535 A C 2.345 179.890 177.584 -0.066 0.000 1.169 535 A CA 2.081 54.078 52.037 -0.067 0.000 0.635 535 A CB -0.454 18.510 19.000 -0.060 0.000 0.810 535 A HN 0.549 nan 8.150 nan 0.000 0.446 536 K N -0.229 120.127 120.400 -0.073 0.000 2.057 536 K HA -0.071 4.244 4.320 -0.009 0.000 0.206 536 K C 1.789 178.361 176.600 -0.047 0.000 1.050 536 K CA 1.497 57.751 56.287 -0.055 0.000 0.935 536 K CB -0.241 32.229 32.500 -0.050 0.000 0.715 536 K HN 0.213 nan 8.250 nan 0.000 0.439 537 V N 1.775 121.656 119.914 -0.055 0.000 2.295 537 V HA -0.248 3.867 4.120 -0.009 0.000 0.246 537 V C 2.390 178.470 176.094 -0.024 0.000 1.049 537 V CA 2.044 64.322 62.300 -0.037 0.000 1.024 537 V CB -0.490 31.306 31.823 -0.046 0.000 0.648 537 V HN 0.361 nan 8.190 nan 0.000 0.447 538 K N 0.575 120.958 120.400 -0.028 0.000 2.026 538 K HA -0.238 4.076 4.320 -0.009 0.000 0.208 538 K C 2.182 178.757 176.600 -0.042 0.000 1.048 538 K CA 1.922 58.199 56.287 -0.017 0.000 0.929 538 K CB -0.559 31.943 32.500 0.004 0.000 0.713 538 K HN 0.390 nan 8.250 nan 0.000 0.439 539 Q N 0.989 120.755 119.800 -0.056 0.000 2.096 539 Q HA -0.137 4.198 4.340 -0.009 0.000 0.204 539 Q C 1.688 177.668 176.000 -0.034 0.000 0.982 539 Q CA 2.054 57.815 55.803 -0.070 0.000 0.850 539 Q CB -0.106 28.594 28.738 -0.064 0.000 0.901 539 Q HN 0.532 nan 8.270 nan 0.000 0.422 540 E N -0.531 119.660 120.200 -0.014 0.000 2.077 540 E HA -0.159 4.186 4.350 -0.009 0.000 0.193 540 E C 1.774 178.397 176.600 0.040 0.000 0.989 540 E CA 1.002 57.408 56.400 0.011 0.000 0.800 540 E CB -0.088 29.616 29.700 0.007 0.000 0.746 540 E HN 0.427 nan 8.360 nan 0.000 0.452 541 N N 1.045 119.766 118.700 0.036 0.000 2.166 541 N HA -0.135 4.599 4.740 -0.009 0.000 0.186 541 N C 1.517 177.110 175.510 0.138 0.000 1.019 541 N CA 1.045 54.139 53.050 0.072 0.000 0.856 541 N CB -0.095 38.419 38.487 0.046 0.000 0.993 541 N HN 0.143 nan 8.380 nan 0.000 0.426 542 K N 0.603 121.052 120.400 0.082 0.000 2.097 542 K HA 0.024 4.339 4.320 -0.009 0.000 0.205 542 K C 2.103 178.843 176.600 0.233 0.000 1.050 542 K CA 0.596 56.963 56.287 0.133 0.000 0.938 542 K CB -0.100 32.214 32.500 -0.310 0.000 0.718 542 K HN 0.118 nan 8.250 nan 0.000 0.442 543 L N 1.102 122.399 121.223 0.123 0.000 2.056 543 L HA -0.177 4.158 4.340 -0.009 0.000 0.207 543 L C 2.613 179.577 176.870 0.157 0.000 1.078 543 L CA 1.252 56.166 54.840 0.122 0.000 0.749 543 L CB -0.317 41.781 42.059 0.065 0.000 0.901 543 L HN 0.159 nan 8.230 nan 0.000 0.433 544 K N -0.212 120.286 120.400 0.163 0.000 2.057 544 K HA -0.238 4.077 4.320 -0.009 0.000 0.207 544 K C 2.176 178.930 176.600 0.257 0.000 1.049 544 K CA 1.590 57.982 56.287 0.175 0.000 0.931 544 K CB -0.142 32.449 32.500 0.151 0.000 0.714 544 K HN 0.082 nan 8.250 nan 0.000 0.440 545 F N 1.065 121.108 119.950 0.156 0.000 2.206 545 F HA 0.023 4.544 4.527 -0.009 0.000 0.298 545 F C 1.989 177.924 175.800 0.226 0.000 1.090 545 F CA 1.069 59.174 58.000 0.175 0.000 1.323 545 F CB -0.421 38.680 39.000 0.168 0.000 1.028 545 F HN 0.076 nan 8.300 nan 0.000 0.492 546 A N 0.206 123.176 122.820 0.249 0.000 1.933 546 A HA -0.059 4.256 4.320 -0.009 0.000 0.218 546 A C 2.395 180.003 177.584 0.041 0.000 1.175 546 A CA 1.741 53.859 52.037 0.136 0.000 0.628 546 A CB -1.433 17.715 19.000 0.246 0.000 0.814 546 A HN 0.447 nan 8.150 nan 0.000 0.444 547 A N -1.405 121.460 122.820 0.074 0.000 1.872 547 A HA -0.048 4.267 4.320 -0.009 0.000 0.214 547 A C 2.120 179.717 177.584 0.022 0.000 1.187 547 A CA 1.529 53.591 52.037 0.043 0.000 0.614 547 A CB -0.870 18.168 19.000 0.064 0.000 0.826 547 A HN 0.737 nan 8.150 nan 0.000 0.442 548 Y N 0.849 121.095 120.300 -0.090 0.000 2.151 548 Y HA -0.229 4.316 4.550 -0.008 0.000 0.284 548 Y C 1.901 177.711 175.900 -0.150 0.000 1.166 548 Y CA 1.919 59.952 58.100 -0.111 0.000 1.163 548 Y CB -0.397 37.995 38.460 -0.114 0.000 0.974 548 Y HN 0.217 nan 8.280 nan 0.000 0.511 549 L N 0.033 121.220 121.223 -0.061 0.000 2.079 549 L HA -0.242 4.093 4.340 -0.009 0.000 0.210 549 L C 2.297 179.135 176.870 -0.052 0.000 1.081 549 L CA 1.907 56.697 54.840 -0.082 0.000 0.752 549 L CB -0.511 41.440 42.059 -0.181 0.000 0.896 549 L HN 0.361 nan 8.230 nan 0.000 0.433 550 E N -0.984 119.176 120.200 -0.067 0.000 2.170 550 E HA -0.110 4.235 4.350 -0.009 0.000 0.191 550 E C 2.265 178.810 176.600 -0.091 0.000 0.981 550 E CA 0.087 56.456 56.400 -0.052 0.000 0.830 550 E CB 0.125 29.786 29.700 -0.065 0.000 0.775 550 E HN 0.276 nan 8.360 nan 0.000 0.470 551 R N 1.060 121.469 120.500 -0.151 0.000 2.062 551 R HA -0.072 4.263 4.340 -0.009 0.000 0.226 551 R C 1.276 177.426 176.300 -0.249 0.000 1.125 551 R CA 1.263 57.256 56.100 -0.177 0.000 0.966 551 R CB 0.183 30.384 30.300 -0.165 0.000 0.861 551 R HN 0.021 nan 8.270 nan 0.000 0.433 552 E N -1.733 118.214 120.200 -0.420 0.000 2.452 552 E HA 0.027 4.372 4.350 -0.009 0.000 0.197 552 E C 0.059 176.310 176.600 -0.581 0.000 1.022 552 E CA 0.428 56.511 56.400 -0.529 0.000 0.890 552 E CB 0.468 29.721 29.700 -0.744 0.000 0.918 552 E HN 0.274 nan 8.360 nan 0.000 0.496 553 Y N -0.160 120.028 120.300 -0.186 0.000 2.590 553 Y HA 0.296 4.841 4.550 -0.009 0.000 0.263 553 Y C -0.560 175.315 175.900 -0.041 0.000 1.069 553 Y CA -0.580 57.473 58.100 -0.079 0.000 1.242 553 Y CB 0.736 39.168 38.460 -0.046 0.000 1.357 553 Y HN -0.294 nan 8.280 nan 0.000 0.556 554 K N 1.354 121.794 120.400 0.066 0.000 5.728 554 K HA -0.060 4.255 4.320 -0.009 0.000 0.427 554 K C -1.253 175.418 176.600 0.117 0.000 1.056 554 K CA 0.885 57.214 56.287 0.070 0.000 1.274 554 K CB -1.398 31.142 32.500 0.066 0.000 1.831 554 K HN 0.133 nan 8.250 nan 0.000 0.384 555 V N -0.893 119.096 119.914 0.124 0.000 2.775 555 V HA 0.288 4.403 4.120 -0.009 0.000 0.295 555 V C -0.060 176.148 176.094 0.191 0.000 1.226 555 V CA -1.090 61.300 62.300 0.150 0.000 0.934 555 V CB 1.286 33.144 31.823 0.058 0.000 1.056 555 V HN 0.538 nan 8.190 nan 0.000 0.436 556 H N 5.420 124.476 119.070 -0.023 0.000 2.652 556 H HA 0.802 5.353 4.556 -0.009 0.000 0.349 556 H C -0.060 175.257 175.328 -0.019 0.000 1.099 556 H CA -0.010 56.028 56.048 -0.017 0.000 1.417 556 H CB 1.974 31.726 29.762 -0.016 0.000 1.457 556 H HN 0.923 nan 8.280 nan 0.000 0.568 557 I N -0.343 120.307 120.570 0.134 0.000 2.722 557 I HA 0.256 4.421 4.170 -0.009 0.000 0.292 557 I C -1.104 175.098 176.117 0.141 0.000 1.267 557 I CA -1.208 60.148 61.300 0.094 0.000 1.036 557 I CB 2.220 40.242 38.000 0.038 0.000 1.281 557 I HN 0.369 nan 8.210 nan 0.000 0.423 558 N N 6.725 125.510 118.700 0.141 0.000 2.405 558 N HA 0.367 5.102 4.740 -0.009 0.000 0.260 558 N C -1.920 173.723 175.510 0.222 0.000 1.152 558 N CA -1.994 51.142 53.050 0.144 0.000 0.948 558 N CB 0.996 39.544 38.487 0.101 0.000 1.111 558 N HN 0.415 nan 8.380 nan 0.000 0.485 559 P HA -0.037 nan 4.420 nan 0.000 0.228 559 P C -0.114 177.175 177.300 -0.019 0.000 1.151 559 P CA 0.917 64.094 63.100 0.127 0.000 0.770 559 P CB 0.245 31.997 31.700 0.086 0.000 0.786 560 N N -0.995 117.724 118.700 0.031 0.000 2.276 560 N HA 0.053 4.788 4.740 -0.009 0.000 0.212 560 N C 0.195 175.733 175.510 0.045 0.000 1.127 560 N CA 0.249 53.305 53.050 0.010 0.000 0.834 560 N CB 0.153 38.655 38.487 0.025 0.000 1.014 560 N HN 0.219 nan 8.380 nan 0.000 0.491 561 S N -0.382 115.352 115.700 0.055 0.000 2.681 561 S HA 0.450 4.914 4.470 -0.009 0.000 0.299 561 S C 0.021 174.580 174.600 -0.068 0.000 1.113 561 S CA -0.880 57.343 58.200 0.038 0.000 1.013 561 S CB 1.909 65.164 63.200 0.092 0.000 1.076 561 S HN 0.177 nan 8.310 nan 0.000 0.534 562 L N 1.948 122.977 121.223 -0.324 0.000 2.410 562 L HA 0.382 4.717 4.340 -0.009 0.000 0.273 562 L C -1.013 175.833 176.870 -0.040 0.000 1.144 562 L CA -0.569 53.892 54.840 -0.631 0.000 0.863 562 L CB -0.128 41.272 42.059 -1.098 0.000 1.140 562 L HN 0.711 nan 8.230 nan 0.000 0.463 563 F N 4.218 124.031 119.950 -0.227 0.000 2.405 563 F HA 0.101 4.624 4.527 -0.007 0.000 0.358 563 F C 0.429 176.159 175.800 -0.117 0.000 1.151 563 F CA -0.856 57.079 58.000 -0.108 0.000 1.161 563 F CB 0.570 39.555 39.000 -0.026 0.000 1.245 563 F HN 0.520 nan 8.300 nan 0.000 0.545 564 D N 4.746 125.149 120.400 0.005 0.000 2.396 564 D HA 0.304 4.939 4.640 -0.009 0.000 0.225 564 D C -0.918 175.322 176.300 -0.101 0.000 1.121 564 D CA -0.079 53.877 54.000 -0.073 0.000 0.853 564 D CB 1.286 42.029 40.800 -0.096 0.000 1.043 564 D HN 0.098 nan 8.370 nan 0.000 0.500 565 V N 4.329 124.164 119.914 -0.133 0.000 2.540 565 V HA 0.398 4.513 4.120 -0.009 0.000 0.302 565 V C -0.207 175.732 176.094 -0.257 0.000 1.035 565 V CA -0.842 61.362 62.300 -0.160 0.000 0.873 565 V CB 1.819 33.617 31.823 -0.042 0.000 0.992 565 V HN 0.502 nan 8.190 nan 0.000 0.428 566 Q N 3.562 123.228 119.800 -0.223 0.000 2.397 566 Q HA 0.642 4.977 4.340 -0.009 0.000 0.260 566 Q C -1.493 174.340 176.000 -0.278 0.000 1.002 566 Q CA -0.442 55.217 55.803 -0.239 0.000 0.716 566 Q CB 1.953 30.576 28.738 -0.192 0.000 1.258 566 Q HN 0.803 nan 8.270 nan 0.000 0.477 567 V N 1.953 121.693 119.914 -0.291 0.000 2.531 567 V HA 0.869 4.984 4.120 -0.009 0.000 0.301 567 V C -0.824 175.007 176.094 -0.440 0.000 1.034 567 V CA -0.580 61.361 62.300 -0.597 0.000 0.865 567 V CB 1.365 32.585 31.823 -1.006 0.000 0.995 567 V HN 0.801 nan 8.190 nan 0.000 0.424 568 K N 2.544 122.729 120.400 -0.359 0.000 3.040 568 K HA 0.366 4.681 4.320 -0.009 0.000 0.300 568 K C -1.346 175.255 176.600 0.002 0.000 1.092 568 K CA -1.046 55.216 56.287 -0.042 0.000 0.831 568 K CB 0.932 33.408 32.500 -0.040 0.000 1.469 568 K HN 0.503 nan 8.250 nan 0.000 0.365 569 R N 0.828 121.391 120.500 0.105 0.000 2.698 569 R HA 0.186 4.521 4.340 -0.009 0.000 0.266 569 R C 0.407 176.647 176.300 -0.101 0.000 1.026 569 R CA -0.344 55.791 56.100 0.059 0.000 1.102 569 R CB -0.157 30.250 30.300 0.179 0.000 0.978 569 R HN 0.460 nan 8.270 nan 0.000 0.436 570 I N 4.845 125.275 120.570 -0.233 0.000 2.436 570 I HA 0.108 4.273 4.170 -0.009 0.000 0.289 570 I C 0.665 176.428 176.117 -0.590 0.000 1.083 570 I CA 0.544 61.660 61.300 -0.307 0.000 1.372 570 I CB -0.250 37.611 38.000 -0.232 0.000 1.408 570 I HN 0.287 nan 8.210 nan 0.000 0.516 571 H N 4.455 123.406 119.070 -0.198 0.000 3.012 571 H HA 0.251 4.801 4.556 -0.009 0.000 0.367 571 H C 0.401 175.605 175.328 -0.207 0.000 1.211 571 H CA -0.520 55.444 56.048 -0.141 0.000 1.139 571 H CB 1.869 31.507 29.762 -0.206 0.000 1.838 571 H HN 0.482 nan 8.280 nan 0.000 0.550 572 E N 0.880 121.124 120.200 0.075 0.000 2.150 572 E HA -0.177 4.168 4.350 -0.009 0.000 0.193 572 E C 1.384 177.730 176.600 -0.424 0.000 0.985 572 E CA 1.216 57.594 56.400 -0.036 0.000 0.814 572 E CB 0.049 29.911 29.700 0.272 0.000 0.752 572 E HN 0.551 nan 8.360 nan 0.000 0.466 573 Y N 0.852 120.646 120.300 -0.844 0.000 2.373 573 Y HA 0.024 4.569 4.550 -0.009 0.000 0.293 573 Y C 1.494 177.147 175.900 -0.411 0.000 1.129 573 Y CA 0.756 58.180 58.100 -1.126 0.000 1.226 573 Y CB -0.057 37.814 38.460 -0.981 0.000 1.000 573 Y HN -0.222 nan 8.280 nan 0.000 0.549 574 K N 0.806 120.783 120.400 -0.706 0.000 2.432 574 K HA 0.073 4.387 4.320 -0.009 0.000 0.196 574 K C 0.092 176.535 176.600 -0.263 0.000 1.038 574 K CA 0.444 56.427 56.287 -0.507 0.000 0.986 574 K CB -0.042 32.160 32.500 -0.496 0.000 0.782 574 K HN 0.262 nan 8.250 nan 0.000 0.485 575 R N 0.533 120.900 120.500 -0.221 0.000 3.333 575 R HA -0.231 4.104 4.340 -0.009 0.000 0.256 575 R C 0.247 176.468 176.300 -0.132 0.000 1.010 575 R CA 0.197 56.214 56.100 -0.139 0.000 0.680 575 R CB -1.835 28.402 30.300 -0.105 0.000 1.102 575 R HN 0.296 nan 8.270 nan 0.000 0.440 576 Q N 0.315 120.033 119.800 -0.137 0.000 2.291 576 Q HA -0.035 4.300 4.340 -0.009 0.000 0.206 576 Q C 2.018 177.963 176.000 -0.091 0.000 0.976 576 Q CA 1.292 57.025 55.803 -0.117 0.000 0.875 576 Q CB 0.046 28.713 28.738 -0.118 0.000 0.927 576 Q HN 0.582 nan 8.270 nan 0.000 0.450 577 L N -0.592 120.581 121.223 -0.084 0.000 2.131 577 L HA -0.178 4.157 4.340 -0.009 0.000 0.210 577 L C 1.986 178.851 176.870 -0.007 0.000 1.092 577 L CA 0.531 55.337 54.840 -0.058 0.000 0.759 577 L CB -0.333 41.701 42.059 -0.041 0.000 0.903 577 L HN 0.311 nan 8.230 nan 0.000 0.435 578 L N -0.021 121.190 121.223 -0.020 0.000 2.056 578 L HA -0.223 4.111 4.340 -0.009 0.000 0.207 578 L C 2.022 178.939 176.870 0.078 0.000 1.078 578 L CA 1.868 56.709 54.840 0.001 0.000 0.749 578 L CB -0.807 41.142 42.059 -0.183 0.000 0.901 578 L HN 0.273 nan 8.230 nan 0.000 0.433 579 N N -1.622 117.092 118.700 0.023 0.000 2.069 579 N HA -0.239 4.496 4.740 -0.009 0.000 0.191 579 N C 1.938 177.527 175.510 0.131 0.000 1.031 579 N CA 1.653 54.791 53.050 0.148 0.000 0.852 579 N CB -0.138 38.367 38.487 0.030 0.000 1.018 579 N HN 0.496 nan 8.380 nan 0.000 0.423 580 C N 0.577 119.890 119.300 0.021 0.000 2.413 580 C HA -0.083 4.372 4.460 -0.009 0.000 0.276 580 C C 2.581 177.564 174.990 -0.011 0.000 1.248 580 C CA 0.408 59.394 59.018 -0.053 0.000 1.742 580 C CB -1.263 26.392 27.740 -0.141 0.000 2.017 580 C HN 0.506 nan 8.230 nan 0.000 0.481 581 L N -0.378 120.898 121.223 0.089 0.000 2.083 581 L HA -0.191 4.144 4.340 -0.009 0.000 0.209 581 L C 2.754 179.772 176.870 0.248 0.000 1.083 581 L CA 1.734 56.673 54.840 0.165 0.000 0.752 581 L CB -1.049 41.174 42.059 0.273 0.000 0.899 581 L HN 0.588 nan 8.230 nan 0.000 0.433 582 H N 0.011 119.189 119.070 0.181 0.000 2.357 582 H HA -0.122 4.428 4.556 -0.009 0.000 0.301 582 H C 2.222 177.543 175.328 -0.011 0.000 1.082 582 H CA 1.783 57.858 56.048 0.046 0.000 1.342 582 H CB 0.368 30.091 29.762 -0.065 0.000 1.389 582 H HN 0.101 nan 8.280 nan 0.000 0.511 583 V N 1.594 121.431 119.914 -0.129 0.000 2.332 583 V HA -0.268 3.846 4.120 -0.009 0.000 0.248 583 V C 2.800 178.826 176.094 -0.112 0.000 1.055 583 V CA 1.823 64.013 62.300 -0.183 0.000 1.038 583 V CB -0.482 31.277 31.823 -0.108 0.000 0.651 583 V HN 0.400 nan 8.190 nan 0.000 0.450 584 I N -0.215 120.322 120.570 -0.055 0.000 2.394 584 I HA -0.189 3.976 4.170 -0.009 0.000 0.251 584 I C 2.464 178.632 176.117 0.085 0.000 1.136 584 I CA 1.514 62.848 61.300 0.056 0.000 1.425 584 I CB -0.627 37.386 38.000 0.022 0.000 1.079 584 I HN 0.320 nan 8.210 nan 0.000 0.425 585 T N 1.199 115.756 114.554 0.006 0.000 2.777 585 T HA -0.128 4.217 4.350 -0.009 0.000 0.266 585 T C 1.882 176.530 174.700 -0.087 0.000 1.040 585 T CA 1.128 63.224 62.100 -0.007 0.000 1.141 585 T CB -0.200 68.685 68.868 0.028 0.000 0.868 585 T HN 0.085 nan 8.240 nan 0.000 0.444 586 L N 0.154 121.257 121.223 -0.200 0.000 2.046 586 L HA 0.007 4.342 4.340 -0.009 0.000 0.208 586 L C 2.071 178.899 176.870 -0.069 0.000 1.077 586 L CA 1.539 56.259 54.840 -0.200 0.000 0.747 586 L CB -0.907 40.962 42.059 -0.317 0.000 0.896 586 L HN 0.368 nan 8.230 nan 0.000 0.432 587 Y N -0.032 120.203 120.300 -0.108 0.000 2.200 587 Y HA -0.250 4.295 4.550 -0.009 0.000 0.290 587 Y C 2.387 178.268 175.900 -0.033 0.000 1.137 587 Y CA 1.710 59.787 58.100 -0.040 0.000 1.163 587 Y CB -0.048 38.434 38.460 0.036 0.000 0.988 587 Y HN 0.265 nan 8.280 nan 0.000 0.518 588 N N 0.471 119.121 118.700 -0.083 0.000 2.244 588 N HA -0.126 4.609 4.740 -0.009 0.000 0.183 588 N C 1.791 177.188 175.510 -0.189 0.000 1.016 588 N CA 1.365 54.304 53.050 -0.184 0.000 0.866 588 N CB -0.323 38.118 38.487 -0.077 0.000 0.980 588 N HN 0.450 nan 8.380 nan 0.000 0.430 589 R N 0.415 120.830 120.500 -0.142 0.000 2.092 589 R HA 0.092 4.427 4.340 -0.009 0.000 0.231 589 R C 2.211 178.425 176.300 -0.144 0.000 1.119 589 R CA 0.702 56.727 56.100 -0.125 0.000 0.970 589 R CB -0.210 30.026 30.300 -0.106 0.000 0.864 589 R HN 0.233 nan 8.270 nan 0.000 0.440 590 I N 1.014 121.478 120.570 -0.176 0.000 2.179 590 I HA -0.267 3.898 4.170 -0.009 0.000 0.242 590 I C 2.064 178.066 176.117 -0.191 0.000 1.088 590 I CA 1.205 62.403 61.300 -0.170 0.000 1.357 590 I CB -0.202 37.700 38.000 -0.163 0.000 1.051 590 I HN 0.029 nan 8.210 nan 0.000 0.409 591 K N 0.789 121.011 120.400 -0.296 0.000 2.209 591 K HA -0.202 4.113 4.320 -0.009 0.000 0.204 591 K C 2.011 178.512 176.600 -0.164 0.000 1.048 591 K CA 1.120 57.248 56.287 -0.266 0.000 0.940 591 K CB -0.265 31.998 32.500 -0.395 0.000 0.729 591 K HN 0.148 nan 8.250 nan 0.000 0.451 592 K N 1.536 121.846 120.400 -0.151 0.000 2.031 592 K HA -0.074 4.241 4.320 -0.009 0.000 0.205 592 K C 0.154 176.707 176.600 -0.079 0.000 1.049 592 K CA 1.268 57.493 56.287 -0.104 0.000 0.939 592 K CB 0.325 32.767 32.500 -0.097 0.000 0.717 592 K HN 0.064 nan 8.250 nan 0.000 0.438 593 E N -0.166 119.987 120.200 -0.079 0.000 3.108 593 E HA 0.154 4.499 4.350 -0.009 0.000 0.228 593 E C -2.300 174.267 176.600 -0.056 0.000 1.176 593 E CA -1.590 54.776 56.400 -0.056 0.000 0.881 593 E CB 1.543 31.216 29.700 -0.045 0.000 1.354 593 E HN 0.086 nan 8.360 nan 0.000 0.400 594 P HA -0.199 nan 4.420 nan 0.000 0.216 594 P C 0.613 177.897 177.300 -0.025 0.000 1.154 594 P CA 1.143 64.213 63.100 -0.049 0.000 0.865 594 P CB 0.230 31.905 31.700 -0.042 0.000 0.789 595 N N -1.009 117.685 118.700 -0.011 0.000 2.370 595 N HA -0.013 4.722 4.740 -0.009 0.000 0.198 595 N C 0.565 176.093 175.510 0.030 0.000 1.156 595 N CA 0.365 53.421 53.050 0.011 0.000 0.839 595 N CB 0.029 38.522 38.487 0.009 0.000 0.989 595 N HN 0.202 nan 8.380 nan 0.000 0.468 596 K N 0.960 121.370 120.400 0.017 0.000 2.143 596 K HA 0.143 4.458 4.320 -0.009 0.000 0.272 596 K C -0.764 175.875 176.600 0.065 0.000 1.001 596 K CA -0.555 55.756 56.287 0.039 0.000 0.915 596 K CB 0.799 33.300 32.500 0.002 0.000 1.047 596 K HN -0.134 nan 8.250 nan 0.000 0.458 597 F N 4.373 124.310 119.950 -0.022 0.000 2.443 597 F HA 0.271 4.793 4.527 -0.009 0.000 0.353 597 F C -0.422 175.365 175.800 -0.023 0.000 1.101 597 F CA -0.162 57.826 58.000 -0.020 0.000 1.226 597 F CB 0.685 39.676 39.000 -0.015 0.000 1.140 597 F HN 0.191 nan 8.300 nan 0.000 0.557 598 V N 3.946 123.204 119.914 -1.094 0.000 2.888 598 V HA 0.514 4.629 4.120 -0.009 0.000 0.309 598 V C -0.918 174.566 176.094 -1.016 0.000 1.114 598 V CA -1.228 60.596 62.300 -0.794 0.000 0.940 598 V CB 0.866 32.458 31.823 -0.385 0.000 1.021 598 V HN 0.590 nan 8.190 nan 0.000 0.426 599 V N 4.701 124.269 119.914 -0.576 0.000 2.493 599 V HA 0.188 4.303 4.120 -0.009 0.000 0.292 599 V C -1.825 174.111 176.094 -0.264 0.000 1.016 599 V CA -0.358 61.753 62.300 -0.315 0.000 1.097 599 V CB 0.382 32.141 31.823 -0.106 0.000 0.947 599 V HN 0.900 nan 8.190 nan 0.000 0.479 600 P HA 0.326 nan 4.420 nan 0.000 0.268 600 P C -0.384 176.835 177.300 -0.135 0.000 1.205 600 P CA 0.023 63.047 63.100 -0.128 0.000 0.771 600 P CB 0.523 32.198 31.700 -0.042 0.000 0.858 601 R N 0.582 121.016 120.500 -0.111 0.000 2.740 601 R HA 0.658 4.993 4.340 -0.009 0.000 0.273 601 R C -0.720 175.549 176.300 -0.052 0.000 0.998 601 R CA -0.779 55.259 56.100 -0.104 0.000 0.900 601 R CB 2.186 32.404 30.300 -0.137 0.000 1.223 601 R HN 0.395 nan 8.270 nan 0.000 0.466 602 T N -0.599 113.938 114.554 -0.028 0.000 2.892 602 T HA 0.369 4.714 4.350 -0.009 0.000 0.311 602 T C -0.510 174.118 174.700 -0.120 0.000 1.033 602 T CA -0.559 61.494 62.100 -0.078 0.000 0.991 602 T CB 0.893 69.686 68.868 -0.126 0.000 0.981 602 T HN 0.181 nan 8.240 nan 0.000 0.457 603 V N 6.843 126.692 119.914 -0.107 0.000 2.406 603 V HA 0.468 4.583 4.120 -0.009 0.000 0.272 603 V C 0.294 176.312 176.094 -0.125 0.000 1.043 603 V CA -0.385 61.851 62.300 -0.106 0.000 0.915 603 V CB 0.868 32.642 31.823 -0.081 0.000 0.988 603 V HN 0.908 nan 8.190 nan 0.000 0.466 604 M N 6.518 126.031 119.600 -0.146 0.000 2.311 604 M HA 0.629 5.104 4.480 -0.009 0.000 0.325 604 M C -1.042 175.141 176.300 -0.195 0.000 1.061 604 M CA -0.208 54.993 55.300 -0.165 0.000 0.957 604 M CB 2.124 34.625 32.600 -0.165 0.000 1.646 604 M HN 0.422 nan 8.290 nan 0.000 0.434 605 I N 1.731 122.154 120.570 -0.246 0.000 2.533 605 I HA 0.801 4.965 4.170 -0.009 0.000 0.290 605 I C -0.077 175.658 176.117 -0.636 0.000 1.056 605 I CA -0.645 60.469 61.300 -0.310 0.000 1.057 605 I CB 2.353 40.258 38.000 -0.159 0.000 1.240 605 I HN 0.811 nan 8.210 nan 0.000 0.423 606 G N 2.983 111.389 108.800 -0.657 0.000 2.690 606 G HA2 0.849 4.804 3.960 -0.009 0.000 0.293 606 G HA3 0.849 4.804 3.960 -0.009 0.000 0.293 606 G C -1.021 173.561 174.900 -0.530 0.000 1.399 606 G CA -0.814 43.758 45.100 -0.879 0.000 0.890 606 G HN 0.989 nan 8.290 nan 0.000 0.485 607 G N -0.338 108.313 108.800 -0.248 0.000 2.352 607 G HA2 0.414 4.369 3.960 -0.009 0.000 0.303 607 G HA3 0.414 4.369 3.960 -0.009 0.000 0.303 607 G C -1.278 173.734 174.900 0.187 0.000 1.593 607 G CA -1.020 44.096 45.100 0.027 0.000 0.963 607 G HN 0.606 nan 8.290 nan 0.000 0.685 608 K N -0.142 120.357 120.400 0.165 0.000 2.098 608 K HA 0.776 5.090 4.320 -0.009 0.000 0.258 608 K C 0.234 176.913 176.600 0.132 0.000 0.973 608 K CA -0.237 56.162 56.287 0.187 0.000 0.898 608 K CB 2.064 34.592 32.500 0.047 0.000 1.057 608 K HN 0.869 nan 8.250 nan 0.000 0.447 609 A N 1.201 124.136 122.820 0.193 0.000 2.340 609 A HA 0.663 4.978 4.320 -0.009 0.000 0.331 609 A C -0.577 177.135 177.584 0.213 0.000 1.140 609 A CA -0.763 51.311 52.037 0.062 0.000 0.801 609 A CB 1.138 20.114 19.000 -0.040 0.000 1.234 609 A HN 0.766 nan 8.150 nan 0.000 0.469 610 A N 3.084 126.013 122.820 0.181 0.000 2.511 610 A HA 0.474 4.789 4.320 -0.009 0.000 0.242 610 A C -1.413 176.266 177.584 0.158 0.000 1.069 610 A CA -0.796 51.382 52.037 0.235 0.000 0.763 610 A CB -0.411 18.714 19.000 0.209 0.000 1.001 610 A HN 0.593 nan 8.150 nan 0.000 0.498 611 P HA -0.160 nan 4.420 nan 0.000 0.217 611 P C 1.188 178.496 177.300 0.014 0.000 1.151 611 P CA 2.067 65.124 63.100 -0.071 0.000 0.849 611 P CB 0.229 31.832 31.700 -0.162 0.000 0.787 612 G N -3.159 105.685 108.800 0.074 0.000 3.502 612 G HA2 -0.019 3.936 3.960 -0.009 0.000 0.267 612 G HA3 -0.019 3.936 3.960 -0.009 0.000 0.267 612 G C -0.445 174.564 174.900 0.182 0.000 1.090 612 G CA -0.102 45.056 45.100 0.096 0.000 0.795 612 G HN 0.299 nan 8.290 nan 0.000 0.535 613 Y N 1.429 121.752 120.300 0.038 0.000 2.751 613 Y HA 0.233 4.778 4.550 -0.009 0.000 0.333 613 Y C 1.681 177.625 175.900 0.074 0.000 1.122 613 Y CA -1.137 56.988 58.100 0.041 0.000 1.367 613 Y CB 0.337 38.779 38.460 -0.029 0.000 1.242 613 Y HN 0.346 nan 8.280 nan 0.000 0.505 614 H N 3.555 122.790 119.070 0.274 0.000 2.265 614 H HA -0.290 4.261 4.556 -0.009 0.000 0.295 614 H C 1.987 177.369 175.328 0.091 0.000 1.084 614 H CA 2.947 59.089 56.048 0.156 0.000 1.261 614 H CB 0.184 30.034 29.762 0.146 0.000 1.360 614 H HN 0.723 nan 8.280 nan 0.000 0.487 615 M N 0.322 119.947 119.600 0.041 0.000 2.108 615 M HA -0.082 4.393 4.480 -0.009 0.000 0.261 615 M C 2.384 178.455 176.300 -0.382 0.000 1.066 615 M CA 1.911 57.134 55.300 -0.129 0.000 1.107 615 M CB -0.789 31.878 32.600 0.111 0.000 1.356 615 M HN 0.409 nan 8.290 nan 0.000 0.406 616 A N -0.500 121.847 122.820 -0.788 0.000 1.933 616 A HA -0.194 4.121 4.320 -0.009 0.000 0.218 616 A C 2.198 179.555 177.584 -0.379 0.000 1.175 616 A CA 1.872 53.440 52.037 -0.782 0.000 0.628 616 A CB -0.640 17.651 19.000 -1.181 0.000 0.814 616 A HN 0.592 nan 8.150 nan 0.000 0.444 617 K N -1.156 119.088 120.400 -0.260 0.000 2.155 617 K HA -0.003 4.312 4.320 -0.009 0.000 0.203 617 K C 1.840 178.364 176.600 -0.127 0.000 1.052 617 K CA 1.090 57.309 56.287 -0.113 0.000 0.948 617 K CB -0.172 32.344 32.500 0.028 0.000 0.728 617 K HN 0.345 nan 8.250 nan 0.000 0.448 618 M N 0.455 119.941 119.600 -0.190 0.000 2.319 618 M HA -0.050 4.425 4.480 -0.009 0.000 0.265 618 M C 2.028 178.239 176.300 -0.149 0.000 1.068 618 M CA 1.311 56.529 55.300 -0.136 0.000 1.118 618 M CB -0.504 32.019 32.600 -0.129 0.000 1.395 618 M HN 0.127 nan 8.290 nan 0.000 0.435 619 I N -0.269 120.181 120.570 -0.201 0.000 2.315 619 I HA -0.273 3.892 4.170 -0.009 0.000 0.248 619 I C 2.256 178.230 176.117 -0.237 0.000 1.117 619 I CA 0.955 62.130 61.300 -0.209 0.000 1.404 619 I CB -0.240 37.637 38.000 -0.205 0.000 1.071 619 I HN 0.160 nan 8.210 nan 0.000 0.419 620 I N 0.733 121.141 120.570 -0.269 0.000 2.226 620 I HA -0.297 3.868 4.170 -0.009 0.000 0.245 620 I C 2.602 178.430 176.117 -0.481 0.000 1.100 620 I CA 1.212 62.270 61.300 -0.403 0.000 1.374 620 I CB -0.296 37.429 38.000 -0.459 0.000 1.057 620 I HN 0.152 nan 8.210 nan 0.000 0.413 621 K N 1.455 121.566 120.400 -0.481 0.000 2.057 621 K HA -0.212 4.103 4.320 -0.009 0.000 0.207 621 K C 1.989 178.413 176.600 -0.293 0.000 1.049 621 K CA 1.565 57.492 56.287 -0.600 0.000 0.931 621 K CB -0.608 31.275 32.500 -1.028 0.000 0.714 621 K HN 0.135 nan 8.250 nan 0.000 0.440 622 L N 0.680 121.757 121.223 -0.243 0.000 2.046 622 L HA -0.038 4.297 4.340 -0.009 0.000 0.208 622 L C 1.987 178.614 176.870 -0.406 0.000 1.077 622 L CA 1.623 56.157 54.840 -0.510 0.000 0.747 622 L CB -0.349 41.300 42.059 -0.683 0.000 0.896 622 L HN 0.296 nan 8.230 nan 0.000 0.432 623 I N -0.687 119.703 120.570 -0.300 0.000 2.179 623 I HA -0.309 3.856 4.170 -0.009 0.000 0.242 623 I C 2.422 178.438 176.117 -0.169 0.000 1.088 623 I CA 1.774 62.955 61.300 -0.199 0.000 1.357 623 I CB -0.831 37.142 38.000 -0.045 0.000 1.051 623 I HN 0.483 nan 8.210 nan 0.000 0.409 624 T N -0.865 113.563 114.554 -0.211 0.000 2.821 624 T HA -0.039 4.306 4.350 -0.009 0.000 0.267 624 T C 2.000 176.630 174.700 -0.117 0.000 1.046 624 T CA 0.878 62.883 62.100 -0.160 0.000 1.139 624 T CB -0.438 68.288 68.868 -0.236 0.000 0.871 624 T HN 0.327 nan 8.240 nan 0.000 0.454 625 A N 1.567 124.313 122.820 -0.124 0.000 1.933 625 A HA 0.128 4.443 4.320 -0.009 0.000 0.218 625 A C 2.383 179.964 177.584 -0.005 0.000 1.175 625 A CA 1.307 53.336 52.037 -0.013 0.000 0.628 625 A CB -0.837 18.251 19.000 0.147 0.000 0.814 625 A HN 0.591 nan 8.150 nan 0.000 0.444 626 I N -0.403 120.057 120.570 -0.183 0.000 2.252 626 I HA -0.184 3.981 4.170 -0.009 0.000 0.245 626 I C 2.684 178.751 176.117 -0.083 0.000 1.102 626 I CA 1.055 62.215 61.300 -0.233 0.000 1.385 626 I CB -0.564 37.181 38.000 -0.425 0.000 1.064 626 I HN 0.401 nan 8.210 nan 0.000 0.414 627 G N 0.417 109.173 108.800 -0.073 0.000 2.418 627 G HA2 -0.250 3.704 3.960 -0.009 0.000 0.217 627 G HA3 -0.250 3.704 3.960 -0.009 0.000 0.217 627 G C 1.249 176.180 174.900 0.053 0.000 1.158 627 G CA 0.866 45.952 45.100 -0.023 0.000 0.771 627 G HN 0.270 nan 8.290 nan 0.000 0.545 628 D N 0.067 120.495 120.400 0.046 0.000 2.149 628 D HA -0.096 4.539 4.640 -0.009 0.000 0.198 628 D C 2.694 179.033 176.300 0.065 0.000 0.990 628 D CA 0.772 54.798 54.000 0.044 0.000 0.839 628 D CB -0.194 40.580 40.800 -0.043 0.000 0.948 628 D HN 0.254 nan 8.370 nan 0.000 0.460 629 V N 0.042 119.981 119.914 0.040 0.000 2.331 629 V HA -0.127 3.988 4.120 -0.009 0.000 0.242 629 V C 2.588 178.660 176.094 -0.037 0.000 1.034 629 V CA 0.722 63.008 62.300 -0.022 0.000 1.027 629 V CB -0.289 31.508 31.823 -0.043 0.000 0.667 629 V HN 0.025 nan 8.190 nan 0.000 0.457 630 V N 0.985 120.826 119.914 -0.121 0.000 2.295 630 V HA -0.205 3.910 4.120 -0.009 0.000 0.246 630 V C 2.183 178.283 176.094 0.012 0.000 1.049 630 V CA 2.016 64.242 62.300 -0.123 0.000 1.024 630 V CB -0.871 30.860 31.823 -0.152 0.000 0.648 630 V HN 0.566 nan 8.190 nan 0.000 0.447 631 N N -0.220 118.481 118.700 0.002 0.000 2.520 631 N HA -0.105 4.630 4.740 -0.009 0.000 0.185 631 N C 1.141 176.474 175.510 -0.296 0.000 1.068 631 N CA 0.944 53.916 53.050 -0.129 0.000 0.911 631 N CB -0.268 38.107 38.487 -0.187 0.000 0.961 631 N HN 0.663 nan 8.380 nan 0.000 0.446 632 H N -1.346 117.710 119.070 -0.023 0.000 2.674 632 H HA 0.210 4.761 4.556 -0.008 0.000 0.274 632 H C -0.556 174.778 175.328 0.010 0.000 1.121 632 H CA -0.541 55.496 56.048 -0.019 0.000 1.132 632 H CB 0.443 30.186 29.762 -0.032 0.000 1.606 632 H HN -0.004 nan 8.280 nan 0.000 0.558 633 D N 1.597 122.073 120.400 0.126 0.000 2.365 633 D HA 0.059 4.693 4.640 -0.009 0.000 0.237 633 D C -1.635 174.718 176.300 0.088 0.000 1.190 633 D CA -2.034 52.051 54.000 0.142 0.000 0.867 633 D CB 1.633 42.598 40.800 0.275 0.000 1.050 633 D HN 0.078 nan 8.370 nan 0.000 0.491 634 P HA -0.174 nan 4.420 nan 0.000 0.217 634 P C 1.554 178.871 177.300 0.029 0.000 1.151 634 P CA 0.610 63.731 63.100 0.035 0.000 0.849 634 P CB 0.406 32.124 31.700 0.030 0.000 0.787 635 V N -0.913 119.021 119.914 0.033 0.000 2.626 635 V HA -0.162 3.952 4.120 -0.009 0.000 0.252 635 V C 2.366 178.465 176.094 0.008 0.000 1.067 635 V CA 1.505 63.812 62.300 0.012 0.000 1.081 635 V CB -0.978 30.841 31.823 -0.006 0.000 0.686 635 V HN -0.003 nan 8.190 nan 0.000 0.468 636 V N -0.209 119.727 119.914 0.037 0.000 2.453 636 V HA 0.143 4.257 4.120 -0.009 0.000 0.247 636 V C 1.823 177.927 176.094 0.016 0.000 1.048 636 V CA 1.435 63.758 62.300 0.038 0.000 1.049 636 V CB -1.136 30.756 31.823 0.115 0.000 0.672 636 V HN 0.717 nan 8.190 nan 0.000 0.457 637 G N 1.712 110.521 108.800 0.016 0.000 2.556 637 G HA2 -0.363 3.592 3.960 -0.009 0.000 0.283 637 G HA3 -0.363 3.592 3.960 -0.009 0.000 0.283 637 G C 0.360 175.258 174.900 -0.004 0.000 1.177 637 G CA 0.427 45.529 45.100 0.005 0.000 0.978 637 G HN 0.666 nan 8.290 nan 0.000 0.554 638 D N 0.444 120.846 120.400 0.002 0.000 2.463 638 D HA 0.178 4.813 4.640 -0.009 0.000 0.224 638 D C 1.713 178.011 176.300 -0.003 0.000 1.174 638 D CA -0.095 53.907 54.000 0.003 0.000 0.829 638 D CB -0.058 40.755 40.800 0.022 0.000 0.993 638 D HN 0.590 nan 8.370 nan 0.000 0.497 639 R N -0.574 119.915 120.500 -0.018 0.000 2.246 639 R HA 0.220 4.555 4.340 -0.009 0.000 0.199 639 R C -0.048 176.218 176.300 -0.058 0.000 0.984 639 R CA 0.165 56.234 56.100 -0.051 0.000 1.015 639 R CB 0.427 30.682 30.300 -0.075 0.000 0.930 639 R HN 0.093 nan 8.270 nan 0.000 0.475 640 L N 0.608 121.812 121.223 -0.031 0.000 2.543 640 L HA 0.390 4.725 4.340 -0.009 0.000 0.265 640 L C -1.697 175.157 176.870 -0.027 0.000 0.945 640 L CA -0.530 54.290 54.840 -0.032 0.000 0.869 640 L CB 1.778 43.830 42.059 -0.012 0.000 1.294 640 L HN -0.195 nan 8.230 nan 0.000 0.405 641 R N 3.725 124.199 120.500 -0.045 0.000 2.686 641 R HA 0.801 5.136 4.340 -0.009 0.000 0.283 641 R C -1.617 174.642 176.300 -0.068 0.000 0.978 641 R CA -0.807 55.259 56.100 -0.056 0.000 0.897 641 R CB 2.386 32.652 30.300 -0.057 0.000 1.192 641 R HN 0.394 nan 8.270 nan 0.000 0.457 642 V N 4.552 124.426 119.914 -0.066 0.000 2.407 642 V HA 0.464 4.579 4.120 -0.009 0.000 0.291 642 V C -0.452 175.611 176.094 -0.051 0.000 1.018 642 V CA -0.711 61.549 62.300 -0.068 0.000 0.842 642 V CB 1.636 33.415 31.823 -0.073 0.000 0.996 642 V HN 0.516 nan 8.190 nan 0.000 0.426 643 I N 4.924 125.459 120.570 -0.059 0.000 2.465 643 I HA 0.464 4.629 4.170 -0.009 0.000 0.291 643 I C -0.698 175.403 176.117 -0.026 0.000 1.014 643 I CA -0.472 60.805 61.300 -0.037 0.000 1.093 643 I CB 1.857 39.816 38.000 -0.069 0.000 1.267 643 I HN 0.553 nan 8.210 nan 0.000 0.431 644 F N 7.017 126.908 119.950 -0.099 0.000 2.385 644 F HA 0.518 5.040 4.527 -0.008 0.000 0.360 644 F C -0.513 175.227 175.800 -0.100 0.000 1.122 644 F CA -0.597 57.342 58.000 -0.103 0.000 1.090 644 F CB 0.572 39.508 39.000 -0.106 0.000 1.150 644 F HN 0.199 nan 8.300 nan 0.000 0.472 645 L N 6.207 127.062 121.223 -0.613 0.000 2.407 645 L HA 0.168 4.502 4.340 -0.009 0.000 0.282 645 L C 0.476 177.134 176.870 -0.353 0.000 1.110 645 L CA -0.040 54.579 54.840 -0.368 0.000 0.863 645 L CB 0.292 42.205 42.059 -0.243 0.000 1.207 645 L HN 0.645 nan 8.230 nan 0.000 0.454 646 E N 4.144 124.262 120.200 -0.137 0.000 2.373 646 E HA -0.077 4.268 4.350 -0.009 0.000 0.267 646 E C 0.440 177.094 176.600 0.089 0.000 1.032 646 E CA -0.368 56.063 56.400 0.052 0.000 0.889 646 E CB 0.438 30.097 29.700 -0.068 0.000 0.984 646 E HN 0.571 nan 8.360 nan 0.000 0.425 647 N N 2.547 121.366 118.700 0.199 0.000 2.725 647 N HA -0.281 4.453 4.740 -0.009 0.000 0.251 647 N C -1.527 174.086 175.510 0.171 0.000 1.031 647 N CA 0.558 53.724 53.050 0.194 0.000 0.720 647 N CB -1.603 37.017 38.487 0.223 0.000 0.930 647 N HN 0.493 nan 8.380 nan 0.000 0.543 648 Y N 1.485 121.798 120.300 0.022 0.000 2.717 648 Y HA 0.158 4.703 4.550 -0.009 0.000 0.330 648 Y C 1.154 177.075 175.900 0.035 0.000 1.217 648 Y CA 0.676 58.774 58.100 -0.003 0.000 1.506 648 Y CB 0.306 38.730 38.460 -0.058 0.000 1.268 648 Y HN 0.389 nan 8.280 nan 0.000 0.561 649 R N 2.362 122.542 120.500 -0.534 0.000 2.762 649 R HA 0.459 4.794 4.340 -0.009 0.000 0.271 649 R C -0.414 175.568 176.300 -0.530 0.000 1.038 649 R CA -0.598 55.265 56.100 -0.396 0.000 0.906 649 R CB 0.305 30.566 30.300 -0.065 0.000 1.259 649 R HN 0.342 nan 8.270 nan 0.000 0.457 650 V N 1.099 120.740 119.914 -0.454 0.000 2.287 650 V HA -0.293 3.822 4.120 -0.009 0.000 0.248 650 V C 2.595 178.572 176.094 -0.195 0.000 1.053 650 V CA 2.830 64.913 62.300 -0.361 0.000 1.027 650 V CB -0.827 30.739 31.823 -0.429 0.000 0.646 650 V HN 0.928 nan 8.190 nan 0.000 0.447 651 S N 0.109 115.720 115.700 -0.148 0.000 2.399 651 S HA -0.193 4.272 4.470 -0.009 0.000 0.231 651 S C 1.923 176.484 174.600 -0.065 0.000 1.022 651 S CA 1.755 59.898 58.200 -0.095 0.000 0.983 651 S CB -0.544 62.634 63.200 -0.038 0.000 0.803 651 S HN 0.404 nan 8.310 nan 0.000 0.480 652 L N 1.780 122.968 121.223 -0.058 0.000 2.179 652 L HA 0.359 4.694 4.340 -0.009 0.000 0.208 652 L C 2.639 179.522 176.870 0.022 0.000 1.096 652 L CA 1.308 56.152 54.840 0.006 0.000 0.779 652 L CB -1.173 40.943 42.059 0.096 0.000 0.922 652 L HN 0.352 nan 8.230 nan 0.000 0.443 653 A N -0.711 122.102 122.820 -0.012 0.000 1.933 653 A HA -0.212 4.103 4.320 -0.009 0.000 0.218 653 A C 2.114 179.758 177.584 0.101 0.000 1.175 653 A CA 1.705 53.808 52.037 0.111 0.000 0.628 653 A CB -0.564 18.488 19.000 0.088 0.000 0.814 653 A HN 0.588 nan 8.150 nan 0.000 0.444 654 E N -0.387 119.851 120.200 0.063 0.000 2.265 654 E HA -0.156 4.189 4.350 -0.009 0.000 0.196 654 E C 1.804 178.374 176.600 -0.052 0.000 0.996 654 E CA 1.124 57.517 56.400 -0.012 0.000 0.832 654 E CB -0.044 29.560 29.700 -0.159 0.000 0.756 654 E HN 0.620 nan 8.360 nan 0.000 0.491 655 K N -0.002 120.352 120.400 -0.076 0.000 2.214 655 K HA 0.037 4.352 4.320 -0.009 0.000 0.201 655 K C 2.123 178.541 176.600 -0.303 0.000 1.049 655 K CA 0.356 56.582 56.287 -0.101 0.000 0.978 655 K CB 0.126 32.573 32.500 -0.088 0.000 0.842 655 K HN -0.051 nan 8.250 nan 0.000 0.474 656 V N 1.833 121.480 119.914 -0.445 0.000 2.591 656 V HA -0.099 4.016 4.120 -0.009 0.000 0.249 656 V C 1.857 177.693 176.094 -0.430 0.000 1.053 656 V CA 1.114 62.913 62.300 -0.834 0.000 1.068 656 V CB -0.139 31.314 31.823 -0.617 0.000 0.689 656 V HN 0.230 nan 8.190 nan 0.000 0.462 657 I N 0.724 121.111 120.570 -0.305 0.000 2.226 657 I HA -0.128 4.037 4.170 -0.009 0.000 0.245 657 I C -0.284 175.725 176.117 -0.181 0.000 1.100 657 I CA 1.593 62.660 61.300 -0.390 0.000 1.374 657 I CB -1.467 36.188 38.000 -0.574 0.000 1.057 657 I HN 0.368 nan 8.210 nan 0.000 0.413 658 P HA -0.096 nan 4.420 nan 0.000 0.222 658 P C 0.960 178.257 177.300 -0.004 0.000 1.147 658 P CA 1.143 64.221 63.100 -0.037 0.000 0.790 658 P CB 0.066 31.753 31.700 -0.022 0.000 0.780 659 A N -1.194 121.604 122.820 -0.037 0.000 2.275 659 A HA 0.474 4.789 4.320 -0.009 0.000 0.212 659 A C 1.142 178.840 177.584 0.191 0.000 1.201 659 A CA 0.072 52.148 52.037 0.065 0.000 0.843 659 A CB -0.640 18.402 19.000 0.069 0.000 0.873 659 A HN 0.187 nan 8.150 nan 0.000 0.492 660 A N -0.190 122.731 122.820 0.169 0.000 2.340 660 A HA 0.487 4.802 4.320 -0.009 0.000 0.268 660 A C 0.350 178.081 177.584 0.246 0.000 1.100 660 A CA -0.173 52.027 52.037 0.271 0.000 0.803 660 A CB 0.377 19.623 19.000 0.410 0.000 1.043 660 A HN 0.260 nan 8.150 nan 0.000 0.488 661 D N 0.077 120.620 120.400 0.237 0.000 2.431 661 D HA 0.121 4.756 4.640 -0.009 0.000 0.235 661 D C -0.321 176.187 176.300 0.348 0.000 0.980 661 D CA 0.785 54.968 54.000 0.306 0.000 0.912 661 D CB 0.293 41.176 40.800 0.139 0.000 1.056 661 D HN 0.337 nan 8.370 nan 0.000 0.494 662 L N 0.626 121.939 121.223 0.150 0.000 2.356 662 L HA 0.366 4.701 4.340 -0.009 0.000 0.277 662 L C -0.780 175.969 176.870 -0.202 0.000 0.996 662 L CA -0.550 54.304 54.840 0.022 0.000 0.822 662 L CB 2.090 44.141 42.059 -0.014 0.000 1.256 662 L HN -0.279 nan 8.230 nan 0.000 0.413 663 S N 4.164 119.653 115.700 -0.351 0.000 2.429 663 S HA 0.468 4.933 4.470 -0.009 0.000 0.302 663 S C -0.644 173.678 174.600 -0.463 0.000 1.115 663 S CA -0.633 57.108 58.200 -0.765 0.000 1.095 663 S CB 0.392 63.069 63.200 -0.871 0.000 0.987 663 S HN 0.622 nan 8.310 nan 0.000 0.474 664 E N 4.088 124.030 120.200 -0.430 0.000 2.089 664 E HA 0.223 4.567 4.350 -0.009 0.000 0.284 664 E C -0.582 175.908 176.600 -0.184 0.000 1.023 664 E CA -0.456 55.817 56.400 -0.212 0.000 0.819 664 E CB 1.052 30.656 29.700 -0.159 0.000 1.076 664 E HN 0.595 nan 8.360 nan 0.000 0.396 665 Q N 2.766 122.514 119.800 -0.087 0.000 3.064 665 Q HA 0.269 4.603 4.340 -0.009 0.000 0.258 665 Q C 0.557 176.552 176.000 -0.008 0.000 0.972 665 Q CA -0.136 55.632 55.803 -0.058 0.000 0.761 665 Q CB 0.265 28.981 28.738 -0.036 0.000 1.281 665 Q HN 0.617 nan 8.270 nan 0.000 0.455 666 I N -1.606 118.947 120.570 -0.029 0.000 3.736 666 I HA 0.279 4.444 4.170 -0.009 0.000 0.338 666 I C 0.414 176.488 176.117 -0.071 0.000 1.558 666 I CA -0.667 60.625 61.300 -0.013 0.000 1.147 666 I CB 0.357 38.353 38.000 -0.006 0.000 1.275 666 I HN 0.002 nan 8.210 nan 0.000 0.454 667 S N 0.279 115.940 115.700 -0.065 0.000 2.576 667 S HA 0.199 4.664 4.470 -0.009 0.000 0.272 667 S C 0.557 175.148 174.600 -0.015 0.000 1.352 667 S CA -0.299 57.883 58.200 -0.030 0.000 1.021 667 S CB 0.414 63.647 63.200 0.055 0.000 0.887 667 S HN 0.385 nan 8.310 nan 0.000 0.542 668 T N 2.587 117.167 114.554 0.043 0.000 2.888 668 T HA 0.405 4.750 4.350 -0.009 0.000 0.301 668 T C 0.728 175.445 174.700 0.028 0.000 1.001 668 T CA 0.223 62.352 62.100 0.048 0.000 1.147 668 T CB 0.074 69.044 68.868 0.170 0.000 0.931 668 T HN 0.998 nan 8.240 nan 0.000 0.541 669 A N 2.751 125.554 122.820 -0.029 0.000 2.580 669 A HA 0.436 4.751 4.320 -0.009 0.000 0.244 669 A C 1.639 179.219 177.584 -0.007 0.000 1.045 669 A CA 0.358 52.374 52.037 -0.035 0.000 0.761 669 A CB -0.928 18.037 19.000 -0.058 0.000 0.962 669 A HN 1.677 nan 8.150 nan 0.000 0.512 670 G N 1.443 110.239 108.800 -0.007 0.000 2.176 670 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.232 670 G HA3 -0.238 3.717 3.960 -0.009 0.000 0.232 670 G C 0.870 175.761 174.900 -0.015 0.000 0.986 670 G CA 1.089 46.185 45.100 -0.007 0.000 0.643 670 G HN 1.993 nan 8.290 nan 0.000 0.522 671 T N -2.500 112.050 114.554 -0.007 0.000 3.018 671 T HA 0.409 4.754 4.350 -0.009 0.000 0.246 671 T C 0.744 175.327 174.700 -0.194 0.000 1.026 671 T CA 1.063 63.103 62.100 -0.100 0.000 1.081 671 T CB 0.569 69.429 68.868 -0.013 0.000 0.970 671 T HN 0.269 nan 8.240 nan 0.000 0.475 672 E N 1.516 121.722 120.200 0.009 0.000 2.001 672 E HA 0.670 5.014 4.350 -0.009 0.000 0.279 672 E C 1.174 177.736 176.600 -0.064 0.000 1.045 672 E CA 0.042 56.486 56.400 0.073 0.000 0.833 672 E CB 0.761 30.551 29.700 0.150 0.000 1.077 672 E HN 0.336 nan 8.360 nan 0.000 0.397 673 A N 3.403 126.105 122.820 -0.196 0.000 1.903 673 A HA -0.245 4.070 4.320 -0.009 0.000 0.219 673 A C 1.977 179.438 177.584 -0.206 0.000 1.191 673 A CA 2.390 54.174 52.037 -0.422 0.000 0.638 673 A CB -0.301 18.232 19.000 -0.777 0.000 0.823 673 A HN 0.607 nan 8.150 nan 0.000 0.451 674 S N -4.069 111.572 115.700 -0.100 0.000 3.984 674 S HA 0.458 4.923 4.470 -0.009 0.000 0.221 674 S C 0.641 175.236 174.600 -0.008 0.000 1.149 674 S CA 1.391 59.578 58.200 -0.023 0.000 0.950 674 S CB -0.040 63.169 63.200 0.015 0.000 1.216 674 S HN 2.315 nan 8.310 nan 0.000 0.547 675 G N 0.280 109.082 108.800 0.002 0.000 2.719 675 G HA2 -0.007 3.948 3.960 -0.009 0.000 0.686 675 G HA3 -0.007 3.948 3.960 -0.009 0.000 0.686 675 G C 0.213 175.101 174.900 -0.021 0.000 1.201 675 G CA 0.454 45.554 45.100 0.000 0.000 0.768 675 G HN 1.315 nan 8.290 nan 0.000 0.629 676 T N -1.933 112.595 114.554 -0.044 0.000 3.051 676 T HA 0.374 4.719 4.350 -0.009 0.000 0.254 676 T C 2.355 176.961 174.700 -0.158 0.000 0.916 676 T CA 1.259 63.304 62.100 -0.093 0.000 0.894 676 T CB 0.300 69.104 68.868 -0.107 0.000 1.251 676 T HN 1.881 nan 8.240 nan 0.000 0.517 677 G N 3.097 111.832 108.800 -0.108 0.000 2.422 677 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.218 677 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.218 677 G C 1.461 176.408 174.900 0.079 0.000 1.146 677 G CA 1.147 46.197 45.100 -0.084 0.000 0.769 677 G HN 0.828 nan 8.290 nan 0.000 0.547 678 N N 0.194 118.930 118.700 0.060 0.000 2.094 678 N HA -0.165 4.570 4.740 -0.009 0.000 0.191 678 N C 2.206 177.728 175.510 0.020 0.000 1.023 678 N CA 1.396 54.487 53.050 0.069 0.000 0.857 678 N CB -0.369 38.109 38.487 -0.014 0.000 1.013 678 N HN 0.347 nan 8.380 nan 0.000 0.426 679 M N 0.743 120.285 119.600 -0.096 0.000 2.175 679 M HA -0.024 4.451 4.480 -0.009 0.000 0.264 679 M C 1.969 178.225 176.300 -0.074 0.000 1.063 679 M CA 1.413 56.637 55.300 -0.127 0.000 1.119 679 M CB -0.073 32.458 32.600 -0.115 0.000 1.377 679 M HN 0.117 nan 8.290 nan 0.000 0.415 680 K N 0.026 120.313 120.400 -0.189 0.000 2.057 680 K HA -0.101 4.214 4.320 -0.009 0.000 0.207 680 K C 1.696 178.181 176.600 -0.191 0.000 1.049 680 K CA 1.341 57.450 56.287 -0.297 0.000 0.931 680 K CB -0.263 31.827 32.500 -0.682 0.000 0.714 680 K HN 0.162 nan 8.250 nan 0.000 0.440 681 F N 1.118 121.006 119.950 -0.104 0.000 2.146 681 F HA -0.098 4.424 4.527 -0.009 0.000 0.298 681 F C 2.553 178.334 175.800 -0.030 0.000 1.096 681 F CA 1.131 59.095 58.000 -0.061 0.000 1.275 681 F CB -0.290 38.663 39.000 -0.079 0.000 1.008 681 F HN -0.015 nan 8.300 nan 0.000 0.480 682 M N -0.419 119.276 119.600 0.157 0.000 2.117 682 M HA -0.194 4.281 4.480 -0.009 0.000 0.262 682 M C 2.099 178.463 176.300 0.108 0.000 1.065 682 M CA 1.585 56.952 55.300 0.112 0.000 1.114 682 M CB -0.239 32.423 32.600 0.104 0.000 1.361 682 M HN 0.261 nan 8.290 nan 0.000 0.408 683 L N 0.776 122.060 121.223 0.100 0.000 2.275 683 L HA -0.075 4.260 4.340 -0.009 0.000 0.215 683 L C 1.269 178.192 176.870 0.089 0.000 1.119 683 L CA 1.571 56.476 54.840 0.108 0.000 0.790 683 L CB -0.577 41.555 42.059 0.122 0.000 0.919 683 L HN 0.348 nan 8.230 nan 0.000 0.443 684 N N -0.185 118.558 118.700 0.072 0.000 2.251 684 N HA 0.173 4.908 4.740 -0.009 0.000 0.217 684 N C 0.858 176.411 175.510 0.072 0.000 1.124 684 N CA 0.781 53.867 53.050 0.060 0.000 0.843 684 N CB 0.571 39.072 38.487 0.023 0.000 1.024 684 N HN 0.412 nan 8.380 nan 0.000 0.501 685 G N 0.452 109.301 108.800 0.081 0.000 2.132 685 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.228 685 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.228 685 G C -0.033 174.945 174.900 0.130 0.000 1.000 685 G CA 0.115 45.266 45.100 0.084 0.000 0.693 685 G HN 0.522 nan 8.290 nan 0.000 0.515 686 A N -0.296 122.609 122.820 0.141 0.000 2.340 686 A HA 0.894 5.208 4.320 -0.009 0.000 0.331 686 A C 0.310 177.907 177.584 0.021 0.000 1.140 686 A CA -0.655 51.482 52.037 0.166 0.000 0.801 686 A CB 1.129 20.281 19.000 0.254 0.000 1.234 686 A HN 0.687 nan 8.150 nan 0.000 0.469 687 L N 0.750 121.948 121.223 -0.043 0.000 2.399 687 L HA 0.487 4.822 4.340 -0.009 0.000 0.265 687 L C 0.162 176.898 176.870 -0.223 0.000 1.089 687 L CA -0.388 54.317 54.840 -0.225 0.000 0.802 687 L CB 1.630 43.466 42.059 -0.372 0.000 1.180 687 L HN 0.699 nan 8.230 nan 0.000 0.454 688 T N 2.545 116.830 114.554 -0.449 0.000 2.797 688 T HA 0.488 4.833 4.350 -0.009 0.000 0.279 688 T C -0.507 174.042 174.700 -0.253 0.000 0.991 688 T CA -0.278 61.538 62.100 -0.473 0.000 0.979 688 T CB 1.700 70.081 68.868 -0.812 0.000 0.943 688 T HN 0.367 nan 8.240 nan 0.000 0.444 689 I N 2.719 123.246 120.570 -0.072 0.000 2.362 689 I HA 0.737 4.902 4.170 -0.009 0.000 0.289 689 I C -0.001 176.261 176.117 0.241 0.000 0.994 689 I CA 0.052 61.430 61.300 0.129 0.000 1.158 689 I CB 0.425 38.433 38.000 0.014 0.000 1.315 689 I HN 0.800 nan 8.210 nan 0.000 0.451 690 G N 3.912 112.942 108.800 0.384 0.000 2.559 690 G HA2 0.439 4.393 3.960 -0.009 0.000 0.291 690 G HA3 0.439 4.393 3.960 -0.009 0.000 0.291 690 G C -0.949 173.904 174.900 -0.078 0.000 1.424 690 G CA -0.340 44.910 45.100 0.251 0.000 0.786 690 G HN 0.585 nan 8.290 nan 0.000 0.485 691 T N -1.481 112.896 114.554 -0.296 0.000 2.874 691 T HA 0.527 4.872 4.350 -0.009 0.000 0.281 691 T C 0.715 175.312 174.700 -0.171 0.000 0.994 691 T CA -0.679 61.166 62.100 -0.424 0.000 1.015 691 T CB 1.171 69.797 68.868 -0.402 0.000 1.028 691 T HN 0.269 nan 8.240 nan 0.000 0.523 692 M N 2.878 122.386 119.600 -0.155 0.000 3.436 692 M HA 0.315 4.790 4.480 -0.009 0.000 0.240 692 M C -0.451 175.804 176.300 -0.074 0.000 1.469 692 M CA -0.048 55.198 55.300 -0.091 0.000 1.622 692 M CB -1.713 30.839 32.600 -0.080 0.000 1.098 692 M HN 0.731 nan 8.290 nan 0.000 0.568 693 D N -0.018 120.346 120.400 -0.061 0.000 2.601 693 D HA 0.677 5.312 4.640 -0.009 0.000 0.230 693 D C 0.734 177.020 176.300 -0.024 0.000 1.106 693 D CA 0.688 54.665 54.000 -0.038 0.000 0.873 693 D CB 1.754 42.533 40.800 -0.034 0.000 1.515 693 D HN 0.599 nan 8.370 nan 0.000 0.468 694 G N 1.697 110.490 108.800 -0.012 0.000 2.627 694 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.312 694 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.312 694 G C 1.055 175.952 174.900 -0.005 0.000 1.299 694 G CA 1.161 46.258 45.100 -0.006 0.000 0.989 694 G HN 1.062 nan 8.290 nan 0.000 0.547 695 A N -0.370 122.444 122.820 -0.011 0.000 2.168 695 A HA 0.067 4.382 4.320 -0.009 0.000 0.215 695 A C 2.121 179.650 177.584 -0.092 0.000 1.152 695 A CA 1.914 53.938 52.037 -0.021 0.000 0.716 695 A CB -0.468 18.508 19.000 -0.039 0.000 0.794 695 A HN 0.624 nan 8.150 nan 0.000 0.465 696 N N 0.461 119.118 118.700 -0.073 0.000 2.137 696 N HA -0.151 4.584 4.740 -0.009 0.000 0.190 696 N C 1.578 176.987 175.510 -0.169 0.000 1.017 696 N CA 1.601 54.608 53.050 -0.072 0.000 0.859 696 N CB -0.585 37.908 38.487 0.010 0.000 1.002 696 N HN 0.293 nan 8.380 nan 0.000 0.428 697 V N 1.181 121.030 119.914 -0.108 0.000 2.343 697 V HA -0.206 3.909 4.120 -0.009 0.000 0.247 697 V C 1.936 177.962 176.094 -0.113 0.000 1.051 697 V CA 1.664 63.897 62.300 -0.112 0.000 1.036 697 V CB -0.471 31.317 31.823 -0.059 0.000 0.654 697 V HN 0.356 nan 8.190 nan 0.000 0.451 698 E N -0.612 119.568 120.200 -0.033 0.000 2.158 698 E HA -0.108 4.237 4.350 -0.009 0.000 0.191 698 E C 2.208 178.890 176.600 0.137 0.000 0.982 698 E CA 0.957 57.405 56.400 0.080 0.000 0.823 698 E CB -0.167 29.665 29.700 0.220 0.000 0.766 698 E HN 0.540 nan 8.360 nan 0.000 0.468 699 M N 0.424 119.983 119.600 -0.069 0.000 2.132 699 M HA -0.117 4.357 4.480 -0.009 0.000 0.263 699 M C 2.449 178.435 176.300 -0.524 0.000 1.065 699 M CA 1.446 56.615 55.300 -0.217 0.000 1.122 699 M CB -0.118 32.239 32.600 -0.405 0.000 1.365 699 M HN 0.131 nan 8.290 nan 0.000 0.411 700 A N -0.114 122.169 122.820 -0.894 0.000 1.930 700 A HA -0.200 4.115 4.320 -0.009 0.000 0.217 700 A C 1.978 179.348 177.584 -0.356 0.000 1.175 700 A CA 1.857 53.336 52.037 -0.929 0.000 0.627 700 A CB -0.730 17.828 19.000 -0.735 0.000 0.815 700 A HN 0.583 nan 8.150 nan 0.000 0.443 701 E N -0.323 119.748 120.200 -0.216 0.000 2.072 701 E HA -0.201 4.144 4.350 -0.009 0.000 0.191 701 E C 1.734 178.297 176.600 -0.063 0.000 0.985 701 E CA 1.195 57.532 56.400 -0.105 0.000 0.801 701 E CB -0.069 29.592 29.700 -0.064 0.000 0.750 701 E HN 0.538 nan 8.360 nan 0.000 0.452 702 E N 0.182 120.367 120.200 -0.024 0.000 2.072 702 E HA -0.126 4.219 4.350 -0.009 0.000 0.191 702 E C 1.872 178.482 176.600 0.017 0.000 0.985 702 E CA 1.162 57.571 56.400 0.015 0.000 0.801 702 E CB -0.163 29.596 29.700 0.098 0.000 0.750 702 E HN 0.374 nan 8.360 nan 0.000 0.452 703 A N 0.360 123.187 122.820 0.012 0.000 2.081 703 A HA 0.340 4.655 4.320 -0.009 0.000 0.214 703 A C 1.050 178.640 177.584 0.009 0.000 1.158 703 A CA 1.099 53.162 52.037 0.044 0.000 0.724 703 A CB 0.055 19.136 19.000 0.136 0.000 0.826 703 A HN 0.254 nan 8.150 nan 0.000 0.463 704 G N -0.512 108.264 108.800 -0.039 0.000 3.067 704 G HA2 -0.077 3.877 3.960 -0.009 0.000 0.686 704 G HA3 -0.077 3.877 3.960 -0.009 0.000 0.686 704 G C -0.033 174.841 174.900 -0.043 0.000 1.119 704 G CA -0.008 45.067 45.100 -0.041 0.000 0.790 704 G HN 0.240 nan 8.290 nan 0.000 0.605 705 E N 0.988 121.154 120.200 -0.056 0.000 2.171 705 E HA -0.201 4.144 4.350 -0.009 0.000 0.197 705 E C 1.995 178.577 176.600 -0.030 0.000 0.997 705 E CA 1.826 58.202 56.400 -0.039 0.000 0.810 705 E CB 0.060 29.738 29.700 -0.038 0.000 0.738 705 E HN 0.773 nan 8.360 nan 0.000 0.467 706 E N 0.668 120.839 120.200 -0.048 0.000 2.338 706 E HA -0.080 4.264 4.350 -0.009 0.000 0.197 706 E C 0.922 177.435 176.600 -0.146 0.000 1.007 706 E CA 0.587 56.937 56.400 -0.083 0.000 0.849 706 E CB -0.026 29.638 29.700 -0.059 0.000 0.774 706 E HN 0.161 nan 8.360 nan 0.000 0.506 707 N N -0.349 118.295 118.700 -0.093 0.000 2.251 707 N HA 0.150 4.885 4.740 -0.009 0.000 0.217 707 N C -0.973 174.480 175.510 -0.095 0.000 1.124 707 N CA 0.073 53.048 53.050 -0.125 0.000 0.843 707 N CB 0.389 38.858 38.487 -0.031 0.000 1.024 707 N HN 0.047 nan 8.380 nan 0.000 0.501 708 F N -0.423 119.310 119.950 -0.361 0.000 2.588 708 F HA 0.413 4.935 4.527 -0.010 0.000 0.314 708 F C -0.778 174.787 175.800 -0.392 0.000 1.069 708 F CA -1.157 56.666 58.000 -0.296 0.000 0.931 708 F CB 1.307 40.230 39.000 -0.128 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 5.218 125.163 119.950 -0.008 0.000 2.359 709 F HA 0.370 4.892 4.527 -0.008 0.000 0.355 709 F C -0.239 175.680 175.800 0.199 0.000 1.132 709 F CA -0.574 57.458 58.000 0.053 0.000 1.246 709 F CB -0.104 38.871 39.000 -0.041 0.000 1.569 709 F HN -0.011 nan 8.300 nan 0.000 0.561 710 I N 4.009 124.775 120.570 0.326 0.000 2.396 710 I HA 0.357 4.522 4.170 -0.009 0.000 0.292 710 I C -0.067 176.241 176.117 0.319 0.000 0.999 710 I CA -0.676 60.791 61.300 0.277 0.000 1.310 710 I CB 0.597 38.686 38.000 0.147 0.000 1.404 710 I HN 0.342 nan 8.210 nan 0.000 0.496 711 F N 2.418 122.433 119.950 0.108 0.000 2.711 711 F HA 0.851 5.372 4.527 -0.009 0.000 0.313 711 F C -0.010 175.832 175.800 0.070 0.000 1.141 711 F CA -0.511 57.544 58.000 0.091 0.000 0.941 711 F CB 1.077 40.144 39.000 0.111 0.000 1.349 711 F HN 0.820 nan 8.300 nan 0.000 0.464 712 G N 0.945 109.783 108.800 0.064 0.000 2.796 712 G HA2 -0.077 3.878 3.960 -0.009 0.000 0.571 712 G HA3 -0.077 3.878 3.960 -0.009 0.000 0.571 712 G C -0.860 174.000 174.900 -0.066 0.000 1.370 712 G CA -0.568 44.500 45.100 -0.054 0.000 0.856 712 G HN 0.955 nan 8.290 nan 0.000 0.538 713 M N 0.695 120.269 119.600 -0.043 0.000 2.248 713 M HA 0.290 4.765 4.480 -0.009 0.000 0.337 713 M C 1.163 177.426 176.300 -0.062 0.000 1.121 713 M CA 0.038 55.323 55.300 -0.025 0.000 1.155 713 M CB 0.368 32.963 32.600 -0.008 0.000 1.514 713 M HN 0.519 nan 8.290 nan 0.000 0.452 714 R N 1.343 121.821 120.500 -0.036 0.000 2.608 714 R HA 0.323 4.658 4.340 -0.009 0.000 0.255 714 R C 1.182 177.463 176.300 -0.032 0.000 1.086 714 R CA -0.605 55.470 56.100 -0.043 0.000 1.125 714 R CB 0.185 30.468 30.300 -0.029 0.000 1.193 714 R HN 0.569 nan 8.270 nan 0.000 0.553 715 V N 1.519 121.413 119.914 -0.032 0.000 2.324 715 V HA -0.273 3.842 4.120 -0.009 0.000 0.250 715 V C 1.819 177.902 176.094 -0.018 0.000 1.060 715 V CA 2.010 64.294 62.300 -0.026 0.000 1.042 715 V CB -0.453 31.354 31.823 -0.027 0.000 0.650 715 V HN 0.618 nan 8.190 nan 0.000 0.450 716 E N 0.122 120.313 120.200 -0.015 0.000 2.110 716 E HA -0.184 4.161 4.350 -0.009 0.000 0.193 716 E C 1.973 178.575 176.600 0.004 0.000 0.988 716 E CA 1.371 57.767 56.400 -0.006 0.000 0.804 716 E CB -0.389 29.308 29.700 -0.005 0.000 0.745 716 E HN 0.630 nan 8.360 nan 0.000 0.458 717 D N -0.245 120.159 120.400 0.006 0.000 2.144 717 D HA -0.089 4.546 4.640 -0.009 0.000 0.200 717 D C 1.960 178.273 176.300 0.022 0.000 0.978 717 D CA 0.828 54.841 54.000 0.022 0.000 0.833 717 D CB -0.005 40.811 40.800 0.027 0.000 0.961 717 D HN 0.063 nan 8.370 nan 0.000 0.470 718 V N 1.915 121.829 119.914 0.001 0.000 2.343 718 V HA -0.203 3.912 4.120 -0.009 0.000 0.247 718 V C 1.958 178.050 176.094 -0.004 0.000 1.051 718 V CA 1.617 63.910 62.300 -0.012 0.000 1.036 718 V CB -0.361 31.445 31.823 -0.028 0.000 0.654 718 V HN 0.045 nan 8.190 nan 0.000 0.451 719 D N -0.123 120.276 120.400 -0.002 0.000 2.117 719 D HA -0.124 4.511 4.640 -0.009 0.000 0.198 719 D C 2.419 178.730 176.300 0.018 0.000 0.982 719 D CA 1.085 55.086 54.000 0.002 0.000 0.828 719 D CB -0.238 40.559 40.800 -0.004 0.000 0.967 719 D HN 0.379 nan 8.370 nan 0.000 0.464 720 R N 0.247 120.762 120.500 0.026 0.000 2.091 720 R HA -0.047 4.288 4.340 -0.009 0.000 0.238 720 R C 2.531 178.866 176.300 0.058 0.000 1.136 720 R CA 0.505 56.629 56.100 0.039 0.000 0.959 720 R CB -0.397 29.929 30.300 0.043 0.000 0.856 720 R HN 0.214 nan 8.270 nan 0.000 0.437 721 L N 0.784 122.049 121.223 0.072 0.000 2.046 721 L HA -0.210 4.125 4.340 -0.009 0.000 0.208 721 L C 1.628 178.562 176.870 0.107 0.000 1.077 721 L CA 1.338 56.247 54.840 0.115 0.000 0.747 721 L CB -0.300 41.838 42.059 0.132 0.000 0.896 721 L HN 0.220 nan 8.230 nan 0.000 0.432 722 D N -0.595 119.842 120.400 0.062 0.000 2.144 722 D HA -0.194 4.441 4.640 -0.009 0.000 0.200 722 D C 2.207 178.537 176.300 0.050 0.000 0.978 722 D CA 1.064 55.094 54.000 0.051 0.000 0.833 722 D CB -0.051 40.757 40.800 0.014 0.000 0.961 722 D HN 0.462 nan 8.370 nan 0.000 0.470 723 Q N 0.119 119.944 119.800 0.042 0.000 2.124 723 Q HA -0.102 4.233 4.340 -0.009 0.000 0.202 723 Q C 2.242 178.269 176.000 0.044 0.000 0.977 723 Q CA 0.820 56.645 55.803 0.036 0.000 0.850 723 Q CB 0.052 28.807 28.738 0.029 0.000 0.901 723 Q HN 0.181 nan 8.270 nan 0.000 0.429 724 R N 0.169 120.704 120.500 0.059 0.000 2.100 724 R HA 0.020 4.355 4.340 -0.009 0.000 0.220 724 R C -0.112 176.230 176.300 0.071 0.000 1.091 724 R CA 1.142 57.279 56.100 0.062 0.000 0.986 724 R CB 0.295 30.639 30.300 0.075 0.000 0.888 724 R HN 0.236 nan 8.270 nan 0.000 0.444 725 G N 0.390 109.248 108.800 0.097 0.000 3.444 725 G HA2 -0.228 3.727 3.960 -0.009 0.000 0.685 725 G HA3 -0.228 3.727 3.960 -0.009 0.000 0.685 725 G C -1.458 173.541 174.900 0.165 0.000 1.145 725 G CA -0.328 44.837 45.100 0.109 0.000 0.973 725 G HN 0.299 nan 8.290 nan 0.000 0.525 726 Y N 3.783 124.120 120.300 0.061 0.000 2.480 726 Y HA 0.559 5.104 4.550 -0.009 0.000 0.341 726 Y C 0.269 176.232 175.900 0.105 0.000 1.031 726 Y CA -0.966 57.190 58.100 0.093 0.000 1.295 726 Y CB 0.946 39.439 38.460 0.055 0.000 1.162 726 Y HN 0.542 nan 8.280 nan 0.000 0.523 727 N N 5.192 123.676 118.700 -0.359 0.000 2.569 727 N HA 0.271 5.006 4.740 -0.009 0.000 0.254 727 N C 0.229 175.497 175.510 -0.404 0.000 1.004 727 N CA 0.382 53.237 53.050 -0.324 0.000 0.904 727 N CB 1.547 39.974 38.487 -0.100 0.000 1.165 727 N HN 0.886 nan 8.380 nan 0.000 0.513 728 A N 2.975 125.447 122.820 -0.580 0.000 1.978 728 A HA -0.210 4.105 4.320 -0.009 0.000 0.220 728 A C 1.896 179.615 177.584 0.224 0.000 1.170 728 A CA 1.422 53.358 52.037 -0.170 0.000 0.636 728 A CB -0.282 18.541 19.000 -0.295 0.000 0.810 728 A HN 0.717 nan 8.150 nan 0.000 0.448 729 Q N 0.230 120.061 119.800 0.052 0.000 2.135 729 Q HA -0.228 4.107 4.340 -0.009 0.000 0.204 729 Q C 1.877 177.960 176.000 0.137 0.000 0.981 729 Q CA 2.228 58.081 55.803 0.083 0.000 0.856 729 Q CB -0.359 28.383 28.738 0.006 0.000 0.902 729 Q HN 0.788 nan 8.270 nan 0.000 0.425 730 E N -1.385 118.846 120.200 0.051 0.000 2.085 730 E HA -0.241 4.104 4.350 -0.009 0.000 0.194 730 E C 1.485 178.029 176.600 -0.092 0.000 0.994 730 E CA 1.462 57.820 56.400 -0.071 0.000 0.801 730 E CB -0.217 29.346 29.700 -0.229 0.000 0.743 730 E HN 0.587 nan 8.360 nan 0.000 0.453 731 Y N -1.107 119.266 120.300 0.121 0.000 2.263 731 Y HA -0.185 4.360 4.550 -0.009 0.000 0.292 731 Y C 2.194 178.099 175.900 0.009 0.000 1.130 731 Y CA 1.443 59.600 58.100 0.095 0.000 1.179 731 Y CB -0.655 37.911 38.460 0.177 0.000 0.998 731 Y HN 0.236 nan 8.280 nan 0.000 0.532 732 Y N 1.308 121.646 120.300 0.063 0.000 2.181 732 Y HA -0.250 4.295 4.550 -0.009 0.000 0.288 732 Y C 1.733 177.604 175.900 -0.048 0.000 1.146 732 Y CA 1.809 59.869 58.100 -0.067 0.000 1.164 732 Y CB -0.356 38.117 38.460 0.021 0.000 0.982 732 Y HN 0.077 nan 8.280 nan 0.000 0.515 733 D N -0.342 120.174 120.400 0.194 0.000 2.224 733 D HA -0.061 4.574 4.640 -0.009 0.000 0.205 733 D C 1.856 178.144 176.300 -0.021 0.000 0.965 733 D CA 1.073 55.125 54.000 0.087 0.000 0.852 733 D CB -0.096 40.767 40.800 0.105 0.000 0.947 733 D HN 0.464 nan 8.370 nan 0.000 0.494 734 R N -0.335 120.147 120.500 -0.030 0.000 2.308 734 R HA 0.305 4.640 4.340 -0.009 0.000 0.202 734 R C 0.390 176.669 176.300 -0.035 0.000 0.898 734 R CA 0.128 56.206 56.100 -0.036 0.000 1.046 734 R CB 1.100 31.374 30.300 -0.043 0.000 1.026 734 R HN 0.087 nan 8.270 nan 0.000 0.512 735 I N 1.702 122.232 120.570 -0.066 0.000 2.464 735 I HA 0.221 4.386 4.170 -0.009 0.000 0.277 735 I C -1.999 174.026 176.117 -0.153 0.000 1.040 735 I CA -2.383 58.881 61.300 -0.060 0.000 1.153 735 I CB 2.032 40.027 38.000 -0.008 0.000 1.274 735 I HN -0.268 nan 8.210 nan 0.000 0.469 736 P HA -0.198 nan 4.420 nan 0.000 0.215 736 P C 1.178 178.384 177.300 -0.157 0.000 1.157 736 P CA 1.512 64.525 63.100 -0.146 0.000 0.874 736 P CB 0.293 31.941 31.700 -0.088 0.000 0.790 737 E N -1.128 119.017 120.200 -0.092 0.000 2.110 737 E HA -0.170 4.175 4.350 -0.009 0.000 0.193 737 E C 1.882 178.383 176.600 -0.165 0.000 0.988 737 E CA 0.708 57.067 56.400 -0.068 0.000 0.804 737 E CB -0.605 29.126 29.700 0.051 0.000 0.745 737 E HN 0.123 nan 8.360 nan 0.000 0.458 738 L N 1.246 122.287 121.223 -0.303 0.000 2.056 738 L HA -0.121 4.214 4.340 -0.009 0.000 0.207 738 L C 2.354 178.944 176.870 -0.467 0.000 1.078 738 L CA 1.603 56.095 54.840 -0.580 0.000 0.749 738 L CB -0.292 41.272 42.059 -0.825 0.000 0.901 738 L HN -0.089 nan 8.230 nan 0.000 0.433 739 R N -0.766 119.435 120.500 -0.499 0.000 2.091 739 R HA -0.246 4.088 4.340 -0.009 0.000 0.238 739 R C 2.383 178.497 176.300 -0.310 0.000 1.136 739 R CA 1.971 57.683 56.100 -0.646 0.000 0.959 739 R CB -0.351 29.495 30.300 -0.757 0.000 0.856 739 R HN 0.637 nan 8.270 nan 0.000 0.437 740 Q N 0.482 120.144 119.800 -0.230 0.000 2.096 740 Q HA -0.185 4.150 4.340 -0.009 0.000 0.204 740 Q C 2.041 177.977 176.000 -0.106 0.000 0.982 740 Q CA 1.960 57.674 55.803 -0.147 0.000 0.850 740 Q CB -0.125 28.531 28.738 -0.136 0.000 0.901 740 Q HN 0.488 nan 8.270 nan 0.000 0.422 741 I N 0.638 121.145 120.570 -0.106 0.000 2.179 741 I HA -0.278 3.887 4.170 -0.009 0.000 0.242 741 I C 2.129 178.262 176.117 0.026 0.000 1.088 741 I CA 0.664 61.944 61.300 -0.034 0.000 1.357 741 I CB -0.312 37.646 38.000 -0.069 0.000 1.051 741 I HN 0.317 nan 8.210 nan 0.000 0.409 742 I N 0.852 121.434 120.570 0.019 0.000 2.226 742 I HA -0.239 3.926 4.170 -0.009 0.000 0.245 742 I C 2.430 178.639 176.117 0.152 0.000 1.100 742 I CA 1.676 63.056 61.300 0.134 0.000 1.374 742 I CB -1.288 36.877 38.000 0.275 0.000 1.057 742 I HN 0.357 nan 8.210 nan 0.000 0.413 743 E N 0.369 120.635 120.200 0.110 0.000 2.150 743 E HA -0.217 4.128 4.350 -0.009 0.000 0.193 743 E C 2.139 178.793 176.600 0.090 0.000 0.985 743 E CA 0.805 57.266 56.400 0.101 0.000 0.814 743 E CB -0.098 29.633 29.700 0.053 0.000 0.752 743 E HN 0.609 nan 8.360 nan 0.000 0.466 744 Q N 0.465 120.300 119.800 0.058 0.000 2.079 744 Q HA -0.087 4.248 4.340 -0.009 0.000 0.200 744 Q C 2.365 178.529 176.000 0.273 0.000 0.974 744 Q CA 0.851 56.693 55.803 0.066 0.000 0.840 744 Q CB -0.002 28.674 28.738 -0.104 0.000 0.898 744 Q HN 0.292 nan 8.270 nan 0.000 0.430 745 L N 0.087 121.486 121.223 0.294 0.000 2.017 745 L HA -0.191 4.144 4.340 -0.009 0.000 0.208 745 L C 2.431 179.485 176.870 0.307 0.000 1.073 745 L CA 1.062 56.105 54.840 0.339 0.000 0.745 745 L CB -0.362 41.815 42.059 0.197 0.000 0.894 745 L HN 0.151 nan 8.230 nan 0.000 0.432 746 S N -0.330 115.503 115.700 0.222 0.000 2.383 746 S HA -0.146 4.319 4.470 -0.009 0.000 0.227 746 S C 2.056 176.756 174.600 0.166 0.000 1.026 746 S CA 1.465 59.776 58.200 0.184 0.000 0.981 746 S CB -0.232 63.057 63.200 0.149 0.000 0.818 746 S HN 0.603 nan 8.310 nan 0.000 0.472 747 S N 0.512 116.311 115.700 0.164 0.000 2.522 747 S HA 0.306 4.771 4.470 -0.009 0.000 0.227 747 S C 1.444 176.131 174.600 0.144 0.000 0.986 747 S CA 0.668 58.950 58.200 0.138 0.000 0.929 747 S CB -0.162 63.112 63.200 0.124 0.000 0.769 747 S HN 0.821 nan 8.310 nan 0.000 0.529 748 G N 0.534 109.451 108.800 0.195 0.000 2.130 748 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.216 748 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.216 748 G C 0.165 175.150 174.900 0.141 0.000 0.999 748 G CA 0.109 45.310 45.100 0.169 0.000 0.686 748 G HN 0.496 nan 8.290 nan 0.000 0.515 749 F N 0.327 120.274 119.950 -0.004 0.000 2.161 749 F HA 0.189 4.710 4.527 -0.009 0.000 0.300 749 F C 1.830 177.424 175.800 -0.343 0.000 1.089 749 F CA 1.875 59.744 58.000 -0.218 0.000 1.282 749 F CB -0.053 38.721 39.000 -0.376 0.000 1.010 749 F HN 0.171 nan 8.300 nan 0.000 0.485 750 F N -0.243 119.833 119.950 0.211 0.000 2.660 750 F HA 0.213 4.735 4.527 -0.009 0.000 0.302 750 F C 0.559 176.457 175.800 0.163 0.000 1.103 750 F CA 0.265 58.344 58.000 0.132 0.000 1.340 750 F CB -0.195 38.906 39.000 0.169 0.000 1.048 750 F HN -0.009 nan 8.300 nan 0.000 0.551 751 S N -2.323 113.497 115.700 0.200 0.000 2.787 751 S HA 0.281 4.746 4.470 -0.009 0.000 0.140 751 S C -2.472 172.135 174.600 0.011 0.000 1.240 751 S CA -0.900 57.353 58.200 0.088 0.000 1.163 751 S CB 0.659 63.872 63.200 0.020 0.000 1.652 751 S HN -0.168 nan 8.310 nan 0.000 0.443 752 P HA -0.135 nan 4.420 nan 0.000 0.216 752 P C 1.264 178.546 177.300 -0.030 0.000 1.153 752 P CA 1.417 64.486 63.100 -0.052 0.000 0.858 752 P CB 0.107 31.752 31.700 -0.091 0.000 0.789 753 K N -1.082 119.301 120.400 -0.028 0.000 2.167 753 K HA -0.028 4.287 4.320 -0.009 0.000 0.203 753 K C 0.763 177.354 176.600 -0.016 0.000 1.052 753 K CA 0.898 57.173 56.287 -0.020 0.000 0.956 753 K CB 0.000 32.490 32.500 -0.017 0.000 0.735 753 K HN 0.323 nan 8.250 nan 0.000 0.451 754 Q N 0.034 119.821 119.800 -0.022 0.000 2.907 754 Q HA 0.156 4.491 4.340 -0.009 0.000 0.262 754 Q C -2.359 173.622 176.000 -0.031 0.000 0.997 754 Q CA -1.647 54.138 55.803 -0.030 0.000 0.797 754 Q CB 1.524 30.234 28.738 -0.047 0.000 1.228 754 Q HN -0.063 nan 8.270 nan 0.000 0.466 755 P HA -0.239 nan 4.420 nan 0.000 0.217 755 P C 0.627 177.955 177.300 0.047 0.000 1.151 755 P CA 1.539 64.659 63.100 0.033 0.000 0.849 755 P CB 0.199 31.919 31.700 0.033 0.000 0.787 756 D N -1.478 118.935 120.400 0.022 0.000 2.388 756 D HA 0.006 4.641 4.640 -0.009 0.000 0.221 756 D C 1.537 177.834 176.300 -0.006 0.000 1.133 756 D CA -0.269 53.754 54.000 0.038 0.000 0.831 756 D CB -0.577 40.248 40.800 0.042 0.000 0.962 756 D HN 0.037 nan 8.370 nan 0.000 0.502 757 L N -0.075 121.077 121.223 -0.119 0.000 2.081 757 L HA -0.045 4.290 4.340 -0.009 0.000 0.212 757 L C 1.105 177.767 176.870 -0.346 0.000 1.080 757 L CA 1.667 56.326 54.840 -0.301 0.000 0.754 757 L CB -0.603 41.096 42.059 -0.599 0.000 0.893 757 L HN -0.009 nan 8.230 nan 0.000 0.433 758 F N -0.517 119.487 119.950 0.090 0.000 2.668 758 F HA 0.135 4.657 4.527 -0.008 0.000 0.297 758 F C 1.851 177.699 175.800 0.081 0.000 1.124 758 F CA -0.188 57.854 58.000 0.070 0.000 1.353 758 F CB -0.292 38.739 39.000 0.052 0.000 0.992 758 F HN 0.110 nan 8.300 nan 0.000 0.524 759 K N -0.245 120.273 120.400 0.197 0.000 2.097 759 K HA -0.179 4.136 4.320 -0.009 0.000 0.206 759 K C 0.980 177.681 176.600 0.168 0.000 1.049 759 K CA 1.941 58.327 56.287 0.165 0.000 0.933 759 K CB -0.267 32.307 32.500 0.124 0.000 0.717 759 K HN 0.098 nan 8.250 nan 0.000 0.442 760 D N 1.355 121.867 120.400 0.187 0.000 2.144 760 D HA -0.102 4.533 4.640 -0.009 0.000 0.199 760 D C 2.098 178.493 176.300 0.158 0.000 0.984 760 D CA 1.190 55.310 54.000 0.199 0.000 0.834 760 D CB -0.125 40.833 40.800 0.263 0.000 0.955 760 D HN 0.322 nan 8.370 nan 0.000 0.465 761 I N 0.607 121.270 120.570 0.155 0.000 2.202 761 I HA -0.217 3.948 4.170 -0.009 0.000 0.242 761 I C 2.477 178.620 176.117 0.043 0.000 1.091 761 I CA 0.628 61.979 61.300 0.086 0.000 1.368 761 I CB -0.221 37.829 38.000 0.083 0.000 1.058 761 I HN -0.118 nan 8.210 nan 0.000 0.410 762 V N 1.020 120.986 119.914 0.087 0.000 2.295 762 V HA -0.332 3.783 4.120 -0.009 0.000 0.246 762 V C 2.233 178.322 176.094 -0.008 0.000 1.049 762 V CA 2.356 64.693 62.300 0.062 0.000 1.024 762 V CB -1.025 30.864 31.823 0.109 0.000 0.648 762 V HN 0.537 nan 8.190 nan 0.000 0.447 763 N N -0.419 118.310 118.700 0.047 0.000 2.069 763 N HA -0.255 4.480 4.740 -0.009 0.000 0.191 763 N C 2.031 177.482 175.510 -0.099 0.000 1.031 763 N CA 1.755 54.856 53.050 0.085 0.000 0.852 763 N CB -0.119 38.492 38.487 0.207 0.000 1.018 763 N HN 0.368 nan 8.380 nan 0.000 0.423 764 M N 0.919 120.384 119.600 -0.224 0.000 2.067 764 M HA -0.140 4.335 4.480 -0.009 0.000 0.260 764 M C 1.817 177.841 176.300 -0.460 0.000 1.069 764 M CA 1.222 56.142 55.300 -0.633 0.000 1.117 764 M CB -0.724 31.694 32.600 -0.304 0.000 1.334 764 M HN 0.186 nan 8.290 nan 0.000 0.407 765 L N 0.547 121.582 121.223 -0.313 0.000 2.042 765 L HA -0.234 4.101 4.340 -0.009 0.000 0.210 765 L C 2.475 178.998 176.870 -0.577 0.000 1.076 765 L CA 1.601 56.171 54.840 -0.449 0.000 0.749 765 L CB -1.477 40.359 42.059 -0.370 0.000 0.893 765 L HN 0.390 nan 8.230 nan 0.000 0.432 766 M N -1.747 117.583 119.600 -0.451 0.000 2.288 766 M HA -0.070 4.405 4.480 -0.009 0.000 0.266 766 M C 1.858 177.755 176.300 -0.672 0.000 1.072 766 M CA 1.360 56.320 55.300 -0.566 0.000 1.132 766 M CB -0.725 31.451 32.600 -0.707 0.000 1.386 766 M HN 0.329 nan 8.290 nan 0.000 0.432 767 H N -1.750 117.256 119.070 -0.106 0.000 3.091 767 H HA 0.230 4.781 4.556 -0.009 0.000 0.249 767 H C 0.350 175.737 175.328 0.099 0.000 0.985 767 H CA 0.547 56.601 56.048 0.010 0.000 1.177 767 H CB 0.532 30.360 29.762 0.110 0.000 1.456 767 H HN 0.467 nan 8.280 nan 0.000 0.467 768 H N -0.598 118.526 119.070 0.089 0.000 2.823 768 H HA 0.237 4.788 4.556 -0.009 0.000 0.222 768 H C -1.263 174.088 175.328 0.039 0.000 1.414 768 H CA -0.455 55.636 56.048 0.071 0.000 1.289 768 H CB 0.111 29.917 29.762 0.074 0.000 1.970 768 H HN -0.035 nan 8.280 nan 0.000 0.517 769 D N 1.859 122.250 120.400 -0.016 0.000 2.411 769 D HA 0.160 4.795 4.640 -0.009 0.000 0.225 769 D C 1.003 177.238 176.300 -0.109 0.000 1.156 769 D CA -0.474 53.495 54.000 -0.053 0.000 0.874 769 D CB 0.808 41.562 40.800 -0.076 0.000 1.034 769 D HN 0.388 nan 8.370 nan 0.000 0.502 770 R N 2.332 122.678 120.500 -0.257 0.000 2.237 770 R HA -0.032 4.303 4.340 -0.009 0.000 0.219 770 R C 0.589 176.354 176.300 -0.892 0.000 1.080 770 R CA 0.824 56.564 56.100 -0.600 0.000 0.995 770 R CB 0.112 29.882 30.300 -0.884 0.000 0.875 770 R HN 0.405 nan 8.270 nan 0.000 0.462 771 F N 0.520 120.427 119.950 -0.072 0.000 2.639 771 F HA 0.254 4.776 4.527 -0.009 0.000 0.302 771 F C 0.091 175.765 175.800 -0.210 0.000 1.097 771 F CA -0.666 57.276 58.000 -0.097 0.000 1.294 771 F CB 0.132 39.132 39.000 -0.000 0.000 1.027 771 F HN -0.246 nan 8.300 nan 0.000 0.550 772 K N -0.306 119.889 120.400 -0.342 0.000 3.278 772 K HA -0.187 4.128 4.320 -0.009 0.000 0.270 772 K C 1.023 177.495 176.600 -0.214 0.000 0.955 772 K CA 0.181 56.099 56.287 -0.615 0.000 0.723 772 K CB -1.798 30.250 32.500 -0.754 0.000 1.382 772 K HN 0.214 nan 8.250 nan 0.000 0.461 773 V N 0.011 119.880 119.914 -0.075 0.000 2.287 773 V HA -0.287 3.828 4.120 -0.009 0.000 0.248 773 V C 1.964 178.194 176.094 0.226 0.000 1.053 773 V CA 2.276 64.614 62.300 0.063 0.000 1.027 773 V CB -0.503 31.361 31.823 0.069 0.000 0.646 773 V HN 0.509 nan 8.190 nan 0.000 0.447 774 F N 0.235 120.177 119.950 -0.013 0.000 2.171 774 F HA -0.189 4.333 4.527 -0.009 0.000 0.300 774 F C 2.541 178.129 175.800 -0.353 0.000 1.090 774 F CA 0.648 58.587 58.000 -0.103 0.000 1.293 774 F CB -0.402 38.545 39.000 -0.087 0.000 1.013 774 F HN 0.201 nan 8.300 nan 0.000 0.486 775 A N -0.460 122.183 122.820 -0.294 0.000 2.024 775 A HA -0.208 4.107 4.320 -0.009 0.000 0.220 775 A C 1.424 179.009 177.584 0.001 0.000 1.164 775 A CA 1.954 53.755 52.037 -0.392 0.000 0.643 775 A CB -0.467 18.428 19.000 -0.175 0.000 0.806 775 A HN 0.244 nan 8.150 nan 0.000 0.451 776 D N -2.930 117.526 120.400 0.094 0.000 2.398 776 D HA 0.107 4.742 4.640 -0.009 0.000 0.210 776 D C 1.087 177.561 176.300 0.290 0.000 1.094 776 D CA -0.100 54.029 54.000 0.215 0.000 0.839 776 D CB -0.093 40.838 40.800 0.219 0.000 0.963 776 D HN 0.590 nan 8.370 nan 0.000 0.506 777 Y N 1.917 122.305 120.300 0.147 0.000 2.114 777 Y HA -0.204 4.341 4.550 -0.008 0.000 0.284 777 Y C 2.176 178.168 175.900 0.153 0.000 1.143 777 Y CA 1.884 60.081 58.100 0.161 0.000 1.135 777 Y CB 0.205 38.723 38.460 0.096 0.000 0.980 777 Y HN -0.111 nan 8.280 nan 0.000 0.499 778 E N -0.287 120.001 120.200 0.147 0.000 2.058 778 E HA -0.228 4.116 4.350 -0.009 0.000 0.194 778 E C 2.111 178.692 176.600 -0.031 0.000 0.997 778 E CA 1.418 57.826 56.400 0.013 0.000 0.801 778 E CB -0.034 29.770 29.700 0.174 0.000 0.746 778 E HN 0.504 nan 8.360 nan 0.000 0.450 779 E N -0.129 120.128 120.200 0.096 0.000 2.150 779 E HA -0.187 4.157 4.350 -0.009 0.000 0.193 779 E C 1.814 178.423 176.600 0.016 0.000 0.985 779 E CA 0.717 57.193 56.400 0.126 0.000 0.814 779 E CB -0.337 29.527 29.700 0.272 0.000 0.752 779 E HN 0.372 nan 8.360 nan 0.000 0.466 780 Y N 1.545 121.689 120.300 -0.259 0.000 2.163 780 Y HA -0.199 4.346 4.550 -0.009 0.000 0.288 780 Y C 2.263 177.774 175.900 -0.649 0.000 1.136 780 Y CA 1.033 58.651 58.100 -0.803 0.000 1.147 780 Y CB -0.481 37.578 38.460 -0.668 0.000 0.987 780 Y HN -0.205 nan 8.280 nan 0.000 0.509 781 V N 0.866 120.433 119.914 -0.579 0.000 2.343 781 V HA -0.324 3.791 4.120 -0.009 0.000 0.247 781 V C 2.299 178.155 176.094 -0.397 0.000 1.051 781 V CA 2.358 64.320 62.300 -0.562 0.000 1.036 781 V CB -0.616 30.905 31.823 -0.504 0.000 0.654 781 V HN 0.335 nan 8.190 nan 0.000 0.451 782 K N -0.911 119.326 120.400 -0.272 0.000 2.057 782 K HA -0.203 4.112 4.320 -0.009 0.000 0.207 782 K C 2.293 178.790 176.600 -0.171 0.000 1.049 782 K CA 1.669 57.859 56.287 -0.161 0.000 0.931 782 K CB -0.583 31.875 32.500 -0.070 0.000 0.714 782 K HN 0.526 nan 8.250 nan 0.000 0.440 783 C N 1.515 120.681 119.300 -0.223 0.000 2.425 783 C HA -0.085 4.370 4.460 -0.009 0.000 0.277 783 C C 2.641 177.425 174.990 -0.343 0.000 1.280 783 C CA 0.793 59.702 59.018 -0.181 0.000 1.744 783 C CB -0.620 27.021 27.740 -0.165 0.000 1.989 783 C HN 0.427 nan 8.230 nan 0.000 0.491 784 Q N 0.446 119.907 119.800 -0.565 0.000 2.170 784 Q HA -0.156 4.179 4.340 -0.009 0.000 0.203 784 Q C 1.998 177.786 176.000 -0.354 0.000 0.976 784 Q CA 1.543 56.975 55.803 -0.618 0.000 0.858 784 Q CB -0.365 27.763 28.738 -1.017 0.000 0.907 784 Q HN 0.766 nan 8.270 nan 0.000 0.433 785 E N 0.193 120.246 120.200 -0.246 0.000 2.106 785 E HA -0.121 4.224 4.350 -0.009 0.000 0.192 785 E C 2.042 178.586 176.600 -0.093 0.000 0.984 785 E CA 0.485 56.804 56.400 -0.135 0.000 0.806 785 E CB -0.038 29.605 29.700 -0.095 0.000 0.750 785 E HN 0.256 nan 8.360 nan 0.000 0.458 786 R N 0.537 120.985 120.500 -0.087 0.000 2.148 786 R HA -0.063 4.272 4.340 -0.009 0.000 0.227 786 R C 2.383 178.663 176.300 -0.033 0.000 1.103 786 R CA 0.709 56.821 56.100 0.020 0.000 0.983 786 R CB -0.173 30.210 30.300 0.140 0.000 0.874 786 R HN 0.054 nan 8.270 nan 0.000 0.451 787 V N 0.422 120.123 119.914 -0.354 0.000 2.307 787 V HA -0.225 3.890 4.120 -0.009 0.000 0.245 787 V C 2.134 178.208 176.094 -0.033 0.000 1.045 787 V CA 1.909 63.906 62.300 -0.505 0.000 1.024 787 V CB -0.328 31.091 31.823 -0.673 0.000 0.651 787 V HN 0.272 nan 8.190 nan 0.000 0.449 788 S N 0.168 115.819 115.700 -0.082 0.000 2.382 788 S HA -0.173 4.292 4.470 -0.009 0.000 0.228 788 S C 2.193 176.847 174.600 0.090 0.000 1.027 788 S CA 1.383 59.574 58.200 -0.016 0.000 0.991 788 S CB -0.465 62.692 63.200 -0.072 0.000 0.823 788 S HN 0.651 nan 8.310 nan 0.000 0.469 789 A N 1.187 124.060 122.820 0.090 0.000 1.877 789 A HA -0.030 4.285 4.320 -0.009 0.000 0.216 789 A C 2.098 179.795 177.584 0.188 0.000 1.186 789 A CA 1.312 53.423 52.037 0.124 0.000 0.620 789 A CB -0.653 18.409 19.000 0.104 0.000 0.822 789 A HN 0.427 nan 8.150 nan 0.000 0.443 790 L N -2.026 119.366 121.223 0.282 0.000 2.156 790 L HA -0.052 4.282 4.340 -0.009 0.000 0.208 790 L C 2.201 179.350 176.870 0.465 0.000 1.095 790 L CA 1.738 56.814 54.840 0.393 0.000 0.770 790 L CB -0.729 41.653 42.059 0.539 0.000 0.914 790 L HN 0.498 nan 8.230 nan 0.000 0.439 791 Y N 1.243 121.692 120.300 0.248 0.000 2.293 791 Y HA -0.223 4.323 4.550 -0.007 0.000 0.291 791 Y C 2.137 177.975 175.900 -0.104 0.000 1.137 791 Y CA 1.871 59.875 58.100 -0.159 0.000 1.202 791 Y CB -0.157 38.012 38.460 -0.485 0.000 0.990 791 Y HN 0.363 nan 8.280 nan 0.000 0.537 792 K N -0.420 120.015 120.400 0.057 0.000 2.569 792 K HA -0.026 4.289 4.320 -0.009 0.000 0.193 792 K C 0.058 176.643 176.600 -0.025 0.000 1.026 792 K CA 0.539 56.832 56.287 0.011 0.000 1.093 792 K CB -0.198 32.380 32.500 0.129 0.000 0.849 792 K HN 0.082 nan 8.250 nan 0.000 0.509 793 N N 1.203 119.891 118.700 -0.020 0.000 2.791 793 N HA 0.190 4.925 4.740 -0.009 0.000 0.265 793 N C -2.335 173.172 175.510 -0.004 0.000 1.580 793 N CA -2.048 51.006 53.050 0.006 0.000 0.809 793 N CB 1.364 39.890 38.487 0.065 0.000 1.178 793 N HN -0.154 nan 8.380 nan 0.000 0.499 794 P HA -0.250 nan 4.420 nan 0.000 0.219 794 P C 1.417 178.723 177.300 0.009 0.000 1.158 794 P CA 1.451 64.473 63.100 -0.131 0.000 0.895 794 P CB 0.324 31.927 31.700 -0.162 0.000 0.792 795 R N -0.216 120.292 120.500 0.013 0.000 2.073 795 R HA -0.167 4.168 4.340 -0.009 0.000 0.234 795 R C 1.983 178.325 176.300 0.069 0.000 1.134 795 R CA 1.510 57.632 56.100 0.035 0.000 0.952 795 R CB -0.402 29.910 30.300 0.021 0.000 0.850 795 R HN 0.120 nan 8.270 nan 0.000 0.433 796 E N -0.168 120.083 120.200 0.085 0.000 2.208 796 E HA -0.204 4.141 4.350 -0.009 0.000 0.193 796 E C 1.587 178.265 176.600 0.129 0.000 0.988 796 E CA 0.553 57.008 56.400 0.090 0.000 0.828 796 E CB -0.358 29.392 29.700 0.084 0.000 0.763 796 E HN 0.531 nan 8.360 nan 0.000 0.478 797 W N 2.169 123.466 121.300 -0.006 0.000 2.379 797 W HA -0.146 4.508 4.660 -0.010 0.000 0.307 797 W C 1.534 178.059 176.519 0.010 0.000 1.200 797 W CA 1.884 59.240 57.345 0.019 0.000 1.297 797 W CB -0.411 29.032 29.460 -0.027 0.000 1.140 797 W HN 0.000 nan 8.180 nan 0.000 0.507 798 T N 1.368 116.077 114.554 0.259 0.000 2.833 798 T HA -0.161 4.184 4.350 -0.009 0.000 0.269 798 T C 1.848 176.567 174.700 0.031 0.000 1.054 798 T CA 1.620 63.800 62.100 0.134 0.000 1.135 798 T CB -0.242 68.679 68.868 0.089 0.000 0.869 798 T HN 0.179 nan 8.240 nan 0.000 0.466 799 R N 0.430 120.951 120.500 0.034 0.000 2.092 799 R HA 0.117 4.452 4.340 -0.009 0.000 0.231 799 R C 2.479 178.772 176.300 -0.012 0.000 1.119 799 R CA 1.101 57.217 56.100 0.027 0.000 0.970 799 R CB -0.321 30.000 30.300 0.035 0.000 0.864 799 R HN 0.370 nan 8.270 nan 0.000 0.440 800 M N 0.529 120.084 119.600 -0.073 0.000 2.200 800 M HA -0.119 4.356 4.480 -0.009 0.000 0.265 800 M C 1.900 178.113 176.300 -0.144 0.000 1.066 800 M CA 1.298 56.518 55.300 -0.134 0.000 1.127 800 M CB 0.214 32.672 32.600 -0.237 0.000 1.379 800 M HN -0.032 nan 8.290 nan 0.000 0.420 801 V N 0.934 120.745 119.914 -0.171 0.000 2.295 801 V HA -0.310 3.805 4.120 -0.009 0.000 0.246 801 V C 2.229 178.311 176.094 -0.019 0.000 1.049 801 V CA 1.990 64.222 62.300 -0.113 0.000 1.024 801 V CB -0.603 31.184 31.823 -0.059 0.000 0.648 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.584 119.994 120.570 0.013 0.000 2.264 802 I HA -0.270 3.895 4.170 -0.009 0.000 0.248 802 I C 2.705 178.874 176.117 0.086 0.000 1.111 802 I CA 1.570 62.922 61.300 0.087 0.000 1.382 802 I CB -0.436 37.660 38.000 0.159 0.000 1.060 802 I HN 0.222 nan 8.210 nan 0.000 0.418 803 R N 0.430 120.959 120.500 0.047 0.000 2.148 803 R HA -0.107 4.228 4.340 -0.009 0.000 0.227 803 R C 2.006 178.342 176.300 0.059 0.000 1.103 803 R CA 1.066 57.192 56.100 0.045 0.000 0.983 803 R CB -0.334 29.976 30.300 0.016 0.000 0.874 803 R HN 0.537 nan 8.270 nan 0.000 0.451 804 N N 0.563 119.294 118.700 0.053 0.000 2.148 804 N HA -0.060 4.675 4.740 -0.009 0.000 0.186 804 N C 1.961 177.536 175.510 0.110 0.000 1.031 804 N CA 0.990 54.096 53.050 0.094 0.000 0.848 804 N CB 0.005 38.526 38.487 0.057 0.000 1.005 804 N HN 0.112 nan 8.380 nan 0.000 0.427 805 I N 1.715 122.338 120.570 0.088 0.000 2.208 805 I HA -0.253 3.912 4.170 -0.009 0.000 0.245 805 I C 2.440 178.614 176.117 0.094 0.000 1.097 805 I CA 0.946 62.303 61.300 0.094 0.000 1.363 805 I CB -0.338 37.712 38.000 0.082 0.000 1.051 805 I HN 0.095 nan 8.210 nan 0.000 0.413 806 A N 0.280 123.154 122.820 0.090 0.000 2.070 806 A HA -0.171 4.144 4.320 -0.009 0.000 0.220 806 A C 2.046 179.670 177.584 0.066 0.000 1.159 806 A CA 2.085 54.165 52.037 0.072 0.000 0.656 806 A CB -0.848 18.196 19.000 0.074 0.000 0.800 806 A HN 0.548 nan 8.150 nan 0.000 0.453 807 T N -3.047 111.560 114.554 0.088 0.000 3.174 807 T HA 0.205 4.549 4.350 -0.009 0.000 0.269 807 T C 1.067 175.855 174.700 0.147 0.000 1.017 807 T CA 0.598 62.751 62.100 0.088 0.000 0.899 807 T CB -0.176 68.742 68.868 0.082 0.000 1.077 807 T HN 0.477 nan 8.240 nan 0.000 0.552 808 S N 0.011 115.819 115.700 0.179 0.000 2.593 808 S HA 0.260 4.725 4.470 -0.009 0.000 0.217 808 S C 2.190 176.912 174.600 0.203 0.000 0.966 808 S CA 0.243 58.628 58.200 0.307 0.000 0.914 808 S CB -0.573 62.786 63.200 0.265 0.000 0.776 808 S HN 0.519 nan 8.310 nan 0.000 0.523 809 G N 2.740 111.582 108.800 0.070 0.000 2.469 809 G HA2 -0.293 3.662 3.960 -0.009 0.000 0.220 809 G HA3 -0.293 3.662 3.960 -0.009 0.000 0.220 809 G C 1.323 176.161 174.900 -0.103 0.000 1.136 809 G CA 1.043 46.149 45.100 0.011 0.000 0.759 809 G HN 0.618 nan 8.290 nan 0.000 0.562 810 K N -0.115 120.096 120.400 -0.315 0.000 2.280 810 K HA -0.014 4.301 4.320 -0.009 0.000 0.202 810 K C 1.225 177.469 176.600 -0.594 0.000 1.047 810 K CA 0.655 56.624 56.287 -0.530 0.000 0.942 810 K CB -0.270 31.748 32.500 -0.802 0.000 0.739 810 K HN 0.408 nan 8.250 nan 0.000 0.457 811 F N 0.932 120.912 119.950 0.049 0.000 2.693 811 F HA 0.124 4.646 4.527 -0.009 0.000 0.303 811 F C 0.801 176.647 175.800 0.077 0.000 1.143 811 F CA -0.558 57.479 58.000 0.061 0.000 1.389 811 F CB 0.379 39.412 39.000 0.055 0.000 1.060 811 F HN -0.112 nan 8.300 nan 0.000 0.535 812 S N 0.300 116.075 115.700 0.125 0.000 2.545 812 S HA 0.083 4.547 4.470 -0.009 0.000 0.275 812 S C 1.415 176.094 174.600 0.133 0.000 1.299 812 S CA -0.268 58.008 58.200 0.127 0.000 1.048 812 S CB 0.831 64.076 63.200 0.074 0.000 0.938 812 S HN 0.340 nan 8.310 nan 0.000 0.496 813 S N 3.259 119.065 115.700 0.177 0.000 2.507 813 S HA -0.073 4.392 4.470 -0.009 0.000 0.235 813 S C 0.902 175.558 174.600 0.094 0.000 0.988 813 S CA 0.675 59.001 58.200 0.211 0.000 0.944 813 S CB -0.309 63.093 63.200 0.338 0.000 0.762 813 S HN 0.781 nan 8.310 nan 0.000 0.526 814 D N 1.816 122.255 120.400 0.065 0.000 2.144 814 D HA -0.051 4.584 4.640 -0.009 0.000 0.200 814 D C 2.110 178.414 176.300 0.006 0.000 0.978 814 D CA 0.680 54.695 54.000 0.026 0.000 0.833 814 D CB -0.297 40.516 40.800 0.021 0.000 0.961 814 D HN 0.292 nan 8.370 nan 0.000 0.470 815 R N 0.844 121.350 120.500 0.009 0.000 2.075 815 R HA -0.073 4.262 4.340 -0.009 0.000 0.232 815 R C 1.818 178.107 176.300 -0.019 0.000 1.126 815 R CA 1.286 57.376 56.100 -0.017 0.000 0.963 815 R CB -0.737 29.540 30.300 -0.039 0.000 0.858 815 R HN 0.101 nan 8.270 nan 0.000 0.435 816 T N 2.271 116.835 114.554 0.018 0.000 2.652 816 T HA -0.117 4.228 4.350 -0.009 0.000 0.267 816 T C 1.924 176.619 174.700 -0.008 0.000 1.039 816 T CA 1.402 63.526 62.100 0.040 0.000 1.153 816 T CB -0.133 68.830 68.868 0.159 0.000 0.863 816 T HN 0.103 nan 8.240 nan 0.000 0.428 817 I N 1.685 122.179 120.570 -0.127 0.000 2.361 817 I HA -0.093 4.072 4.170 -0.009 0.000 0.251 817 I C 2.876 178.946 176.117 -0.079 0.000 1.133 817 I CA 0.894 62.088 61.300 -0.177 0.000 1.413 817 I CB -1.605 36.295 38.000 -0.165 0.000 1.073 817 I HN 0.196 nan 8.210 nan 0.000 0.424 818 A N 0.111 122.902 122.820 -0.048 0.000 1.972 818 A HA -0.217 4.098 4.320 -0.009 0.000 0.219 818 A C 2.249 179.785 177.584 -0.079 0.000 1.169 818 A CA 1.276 53.292 52.037 -0.036 0.000 0.635 818 A CB -0.481 18.505 19.000 -0.023 0.000 0.810 818 A HN 0.498 nan 8.150 nan 0.000 0.446 819 Q N -1.913 117.820 119.800 -0.112 0.000 2.083 819 Q HA -0.141 4.194 4.340 -0.009 0.000 0.198 819 Q C 1.875 177.699 176.000 -0.294 0.000 0.969 819 Q CA 1.492 57.188 55.803 -0.178 0.000 0.838 819 Q CB -0.268 28.354 28.738 -0.194 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.558 120.561 120.300 -0.496 0.000 2.145 820 Y HA -0.265 4.280 4.550 -0.009 0.000 0.286 820 Y C 2.455 177.753 175.900 -1.003 0.000 1.145 820 Y CA 1.275 58.829 58.100 -0.911 0.000 1.148 820 Y CB -0.384 37.235 38.460 -1.402 0.000 0.981 820 Y HN 0.150 nan 8.280 nan 0.000 0.507 821 A N 0.267 122.823 122.820 -0.439 0.000 1.883 821 A HA -0.231 4.084 4.320 -0.009 0.000 0.217 821 A C 2.218 179.808 177.584 0.010 0.000 1.186 821 A CA 2.101 54.138 52.037 0.001 0.000 0.624 821 A CB -0.559 18.532 19.000 0.152 0.000 0.822 821 A HN 0.433 nan 8.150 nan 0.000 0.444 822 R N -0.636 119.833 120.500 -0.052 0.000 2.093 822 R HA -0.009 4.326 4.340 -0.009 0.000 0.224 822 R C 1.841 178.115 176.300 -0.042 0.000 1.101 822 R CA 1.408 57.493 56.100 -0.025 0.000 0.979 822 R CB -0.154 30.127 30.300 -0.031 0.000 0.877 822 R HN 0.658 nan 8.270 nan 0.000 0.441 823 E N -0.430 119.703 120.200 -0.111 0.000 2.400 823 E HA 0.078 4.422 4.350 -0.009 0.000 0.195 823 E C 1.369 177.920 176.600 -0.082 0.000 1.012 823 E CA 0.523 56.864 56.400 -0.100 0.000 0.875 823 E CB 0.535 30.147 29.700 -0.147 0.000 0.859 823 E HN 0.325 nan 8.360 nan 0.000 0.498 824 I N -1.199 119.289 120.570 -0.136 0.000 3.873 824 I HA 0.022 4.186 4.170 -0.009 0.000 0.284 824 I C 1.291 177.554 176.117 0.243 0.000 1.186 824 I CA -0.082 61.206 61.300 -0.021 0.000 1.362 824 I CB 0.253 38.111 38.000 -0.237 0.000 1.432 824 I HN 0.108 nan 8.210 nan 0.000 0.454 825 W N 1.609 123.005 121.300 0.160 0.000 2.658 825 W HA 0.314 4.969 4.660 -0.009 0.000 0.263 825 W C 1.538 178.098 176.519 0.067 0.000 1.274 825 W CA 0.828 58.249 57.345 0.126 0.000 1.343 825 W CB -1.095 28.427 29.460 0.103 0.000 1.106 825 W HN 0.324 nan 8.180 nan 0.000 0.615 826 G N 1.069 110.011 108.800 0.237 0.000 2.225 826 G HA2 -0.112 3.843 3.960 -0.009 0.000 0.264 826 G HA3 -0.112 3.843 3.960 -0.009 0.000 0.264 826 G C -0.301 174.675 174.900 0.126 0.000 1.060 826 G CA 0.231 45.413 45.100 0.136 0.000 0.833 826 G HN 0.428 nan 8.290 nan 0.000 0.498 827 V N -3.593 116.415 119.914 0.156 0.000 2.876 827 V HA 0.922 5.037 4.120 -0.009 0.000 0.312 827 V C -0.326 175.829 176.094 0.101 0.000 1.085 827 V CA -1.573 60.800 62.300 0.122 0.000 0.945 827 V CB 2.264 34.170 31.823 0.140 0.000 1.017 827 V HN 0.340 nan 8.190 nan 0.000 0.428 828 E N 4.788 125.030 120.200 0.071 0.000 2.174 828 E HA 0.612 4.957 4.350 -0.009 0.000 0.282 828 E C -2.380 174.257 176.600 0.061 0.000 0.992 828 E CA -2.063 54.371 56.400 0.057 0.000 0.803 828 E CB 1.340 31.066 29.700 0.043 0.000 1.090 828 E HN 0.803 nan 8.360 nan 0.000 0.396 829 P HA 0.133 nan 4.420 nan 0.000 0.272 829 P C -0.818 176.512 177.300 0.051 0.000 1.230 829 P CA -0.468 62.667 63.100 0.059 0.000 0.788 829 P CB 1.315 33.046 31.700 0.051 0.000 0.949 830 S N 0.167 115.900 115.700 0.055 0.000 2.548 830 S HA 0.464 4.929 4.470 -0.009 0.000 0.286 830 S C 0.428 175.056 174.600 0.047 0.000 1.098 830 S CA -0.677 57.554 58.200 0.052 0.000 0.930 830 S CB 1.740 64.978 63.200 0.064 0.000 1.070 830 S HN 0.415 nan 8.310 nan 0.000 0.480 831 R N 1.551 122.075 120.500 0.039 0.000 2.365 831 R HA 0.314 4.649 4.340 -0.009 0.000 0.223 831 R C 0.040 176.356 176.300 0.027 0.000 0.899 831 R CA 0.203 56.324 56.100 0.036 0.000 1.059 831 R CB 0.224 30.543 30.300 0.032 0.000 1.086 831 R HN 0.687 nan 8.270 nan 0.000 0.522 832 Q N 1.352 121.169 119.800 0.027 0.000 2.274 832 Q HA 0.049 4.383 4.340 -0.009 0.000 0.280 832 Q C -0.526 175.476 176.000 0.004 0.000 1.047 832 Q CA 0.593 56.406 55.803 0.017 0.000 0.907 832 Q CB 0.797 29.549 28.738 0.024 0.000 1.171 832 Q HN 0.070 nan 8.270 nan 0.000 0.381 833 R N 2.028 122.520 120.500 -0.013 0.000 2.490 833 R HA 0.348 4.682 4.340 -0.009 0.000 0.278 833 R C -0.121 176.146 176.300 -0.055 0.000 1.069 833 R CA -0.412 55.667 56.100 -0.034 0.000 1.080 833 R CB 0.633 30.909 30.300 -0.041 0.000 1.030 833 R HN 0.455 nan 8.270 nan 0.000 0.491 834 L N 2.988 124.163 121.223 -0.080 0.000 2.416 834 L HA 0.415 4.749 4.340 -0.009 0.000 0.262 834 L C -1.960 174.852 176.870 -0.098 0.000 1.093 834 L CA -2.196 52.567 54.840 -0.128 0.000 0.801 834 L CB 1.046 42.994 42.059 -0.185 0.000 1.191 834 L HN 0.295 nan 8.230 nan 0.000 0.459 835 P HA 0.216 nan 4.420 nan 0.000 0.274 835 P C -1.056 176.210 177.300 -0.057 0.000 1.237 835 P CA -0.240 62.820 63.100 -0.067 0.000 0.793 835 P CB 0.952 32.615 31.700 -0.062 0.000 0.977 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486