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 3k1d_1_A DATA FIRST_RESID 10 DATA SEQUENCE EHLAPEPAEM ARLVAGTHHN PHGILGAHEY DDHTVIRAFR PHAVEVVALV DATA SEQUENCE GKDRFSLQHL DSGLFAVALP FVDLIDYRLQ VTYEGCEPHT VADAYRFLPT DATA SEQUENCE LGEVDLHLFA EGRHERLWEV LGAHPRSFTT ADGVVSGVSF AVWAPNAKGV DATA SEQUENCE SLIGEFNGWN GHEAPMRVLG PSGVWELFWP DFPCDGLYKF RVHGADGVVT DATA SEQUENCE DRADPFAFGT EVPPQTASRV TSSDYTWGDD DWMAGRALRN PVNEAMSTYE DATA SEQUENCE VHLGSWRPGL SYRQLARELT DYIVDQGFTH VELLPVAEHP FAGSWGYQVT DATA SEQUENCE SYYAPTSRFG TPDDFRALVD ALHQAGIGVI VDWVPAHFPK DAWALGRFDG DATA SEQUENCE TPLYEHSDPK RGEQLDWGTY VFDFGRPEVR NFLVANALYW LQEFHIDGLR DATA SEQUENCE VDAVASMLYL DYSRPEGGWT PNVHGGRENL EAVQFLQEMN ATAHKVAPGI DATA SEQUENCE VTIAEESTPW SGVTRPTNIG GLGFSMKWNM GWMHDTLDYV SRDPVYRSYH DATA SEQUENCE HHEMTFSMLY AFSENYVLPL SHDEVVHGKG TLWGRMPGNN HVKAAGLRSL DATA SEQUENCE LAYQWAHPGK QLLFMGQEFG QRAEWSEQRG LDWFQLDENG FSNGIQRLVR DATA SEQUENCE DINDIYRCHP ALWSLDTTPE GYSWIDANDS ANNVLSFMRY GSDGSVLACV DATA SEQUENCE FNFAGAEHRD YRLGLPRAGR WREVLNTDAT IYHGSGIGNL GGVDATDDPW DATA SEQUENCE HGRPASAVLV LPPTSALWLT PA 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 10 E HA 0.000 nan 4.350 nan 0.000 0.291 10 E C 0.000 176.413 176.600 -0.312 0.000 1.382 10 E CA 0.000 56.267 56.400 -0.222 0.000 0.976 10 E CB 0.000 29.532 29.700 -0.281 0.000 0.812 11 H N 0.862 119.803 119.070 -0.215 0.000 2.770 11 H HA 0.241 4.803 4.556 0.010 0.000 0.315 11 H C 0.921 175.970 175.328 -0.465 0.000 1.127 11 H CA 0.462 56.230 56.048 -0.467 0.000 1.155 11 H CB 0.430 29.692 29.762 -0.833 0.000 1.397 11 H HN 0.156 nan 8.280 nan 0.000 0.538 12 L N -0.321 120.800 121.223 -0.170 0.000 2.433 12 L HA 0.425 4.771 4.340 0.010 0.000 0.200 12 L C 0.676 177.481 176.870 -0.108 0.000 1.059 12 L CA 0.471 55.239 54.840 -0.121 0.000 0.835 12 L CB 0.337 42.346 42.059 -0.082 0.000 1.076 12 L HN 0.102 nan 8.230 nan 0.000 0.481 13 A N 0.394 123.145 122.820 -0.114 0.000 2.304 13 A HA 0.740 5.066 4.320 0.010 0.000 0.314 13 A C -2.452 175.073 177.584 -0.100 0.000 1.187 13 A CA -1.350 50.625 52.037 -0.103 0.000 0.810 13 A CB -0.009 18.927 19.000 -0.108 0.000 1.183 13 A HN 0.125 nan 8.150 nan 0.000 0.487 14 P HA 0.075 nan 4.420 nan 0.000 0.271 14 P C -0.121 177.142 177.300 -0.061 0.000 1.233 14 P CA -0.071 62.995 63.100 -0.058 0.000 0.795 14 P CB 0.449 32.116 31.700 -0.054 0.000 0.936 15 E N 1.511 121.686 120.200 -0.041 0.000 2.404 15 E HA 0.029 4.385 4.350 0.010 0.000 0.261 15 E C -1.554 175.021 176.600 -0.041 0.000 1.074 15 E CA -1.610 54.764 56.400 -0.044 0.000 0.917 15 E CB -0.736 28.947 29.700 -0.028 0.000 0.965 15 E HN 0.282 nan 8.360 nan 0.000 0.433 16 P HA -0.261 nan 4.420 nan 0.000 0.217 16 P C 1.040 178.317 177.300 -0.038 0.000 1.158 16 P CA 2.558 65.632 63.100 -0.044 0.000 0.887 16 P CB 0.177 31.852 31.700 -0.041 0.000 0.792 17 A N -0.290 122.512 122.820 -0.031 0.000 1.877 17 A HA -0.235 4.091 4.320 0.010 0.000 0.216 17 A C 2.208 179.775 177.584 -0.029 0.000 1.186 17 A CA 1.674 53.694 52.037 -0.030 0.000 0.620 17 A CB -1.110 17.875 19.000 -0.025 0.000 0.822 17 A HN 0.110 nan 8.150 nan 0.000 0.443 18 E N -1.001 119.193 120.200 -0.010 0.000 2.047 18 E HA -0.207 4.149 4.350 0.010 0.000 0.191 18 E C 1.963 178.577 176.600 0.023 0.000 0.987 18 E CA 1.569 57.992 56.400 0.038 0.000 0.799 18 E CB -0.482 29.269 29.700 0.086 0.000 0.752 18 E HN 0.604 nan 8.360 nan 0.000 0.449 19 M N 1.202 120.780 119.600 -0.037 0.000 2.149 19 M HA -0.100 4.386 4.480 0.010 0.000 0.261 19 M C 2.049 178.288 176.300 -0.103 0.000 1.064 19 M CA 1.777 57.021 55.300 -0.093 0.000 1.102 19 M CB -0.448 32.099 32.600 -0.087 0.000 1.369 19 M HN 0.045 nan 8.290 nan 0.000 0.408 20 A N -0.115 122.664 122.820 -0.069 0.000 1.930 20 A HA -0.147 4.179 4.320 0.010 0.000 0.217 20 A C 2.263 179.804 177.584 -0.073 0.000 1.175 20 A CA 1.753 53.751 52.037 -0.066 0.000 0.627 20 A CB -0.568 18.404 19.000 -0.047 0.000 0.815 20 A HN 0.604 nan 8.150 nan 0.000 0.443 21 R N -1.257 119.210 120.500 -0.056 0.000 2.075 21 R HA -0.045 4.301 4.340 0.010 0.000 0.232 21 R C 2.067 178.334 176.300 -0.054 0.000 1.126 21 R CA 1.278 57.349 56.100 -0.048 0.000 0.963 21 R CB -0.528 29.736 30.300 -0.059 0.000 0.858 21 R HN 0.441 nan 8.270 nan 0.000 0.435 22 L N 1.038 122.215 121.223 -0.076 0.000 2.079 22 L HA -0.150 4.196 4.340 0.010 0.000 0.210 22 L C 2.229 178.853 176.870 -0.410 0.000 1.081 22 L CA 1.551 56.228 54.840 -0.272 0.000 0.752 22 L CB -0.272 41.510 42.059 -0.462 0.000 0.896 22 L HN 0.118 nan 8.230 nan 0.000 0.433 23 V N -3.480 116.243 119.914 -0.319 0.000 2.719 23 V HA 0.113 4.240 4.120 0.010 0.000 0.252 23 V C 2.118 178.069 176.094 -0.238 0.000 1.065 23 V CA 1.126 63.305 62.300 -0.203 0.000 1.086 23 V CB -1.229 30.536 31.823 -0.096 0.000 0.700 23 V HN 0.344 nan 8.190 nan 0.000 0.467 24 A N 0.119 122.845 122.820 -0.157 0.000 2.275 24 A HA 0.508 4.834 4.320 0.010 0.000 0.212 24 A C 1.981 179.532 177.584 -0.055 0.000 1.201 24 A CA 0.785 52.765 52.037 -0.094 0.000 0.843 24 A CB -0.690 18.284 19.000 -0.045 0.000 0.873 24 A HN 1.751 nan 8.150 nan 0.000 0.492 25 G N -0.279 108.471 108.800 -0.082 0.000 2.176 25 G HA2 -0.245 3.721 3.960 0.010 0.000 0.252 25 G HA3 -0.245 3.721 3.960 0.010 0.000 0.252 25 G C 0.530 175.114 174.900 -0.527 0.000 1.024 25 G CA 1.074 46.075 45.100 -0.165 0.000 0.755 25 G HN 1.375 nan 8.290 nan 0.000 0.507 26 T N -3.335 111.061 114.554 -0.262 0.000 3.266 26 T HA 0.378 4.734 4.350 0.010 0.000 0.278 26 T C 0.236 174.942 174.700 0.010 0.000 1.010 26 T CA -0.193 61.806 62.100 -0.169 0.000 0.909 26 T CB 0.420 69.223 68.868 -0.107 0.000 1.122 26 T HN 0.472 nan 8.240 nan 0.000 0.536 27 H N 1.979 121.045 119.070 -0.006 0.000 2.527 27 H HA 0.248 4.811 4.556 0.011 0.000 0.321 27 H C 1.085 176.542 175.328 0.214 0.000 1.087 27 H CA -0.037 56.051 56.048 0.067 0.000 1.337 27 H CB 1.213 30.956 29.762 -0.031 0.000 1.440 27 H HN 0.648 nan 8.280 nan 0.000 0.490 28 H N 2.402 121.694 119.070 0.370 0.000 2.535 28 H HA 0.041 4.604 4.556 0.011 0.000 0.273 28 H C -0.098 175.487 175.328 0.428 0.000 0.983 28 H CA 0.339 56.663 56.048 0.460 0.000 1.238 28 H CB 0.485 30.359 29.762 0.187 0.000 1.412 28 H HN 0.303 nan 8.280 nan 0.000 0.562 29 N N 0.229 118.870 118.700 -0.098 0.000 2.725 29 N HA 0.203 4.949 4.740 0.010 0.000 0.248 29 N C -2.360 173.107 175.510 -0.071 0.000 1.402 29 N CA -2.223 50.772 53.050 -0.092 0.000 0.766 29 N CB 1.124 39.411 38.487 -0.334 0.000 1.223 29 N HN -0.035 nan 8.380 nan 0.000 0.515 30 P HA -0.136 nan 4.420 nan 0.000 0.216 30 P C 0.550 177.838 177.300 -0.021 0.000 1.153 30 P CA 1.440 64.467 63.100 -0.121 0.000 0.858 30 P CB 0.151 31.919 31.700 0.112 0.000 0.789 31 H N -1.533 117.661 119.070 0.205 0.000 2.518 31 H HA -0.011 4.551 4.556 0.010 0.000 0.292 31 H C 2.094 177.573 175.328 0.253 0.000 1.068 31 H CA 1.452 57.683 56.048 0.305 0.000 1.275 31 H CB -1.176 28.765 29.762 0.298 0.000 1.375 31 H HN 0.177 nan 8.280 nan 0.000 0.563 32 G N -0.280 108.647 108.800 0.213 0.000 2.421 32 G HA2 -0.085 3.881 3.960 0.010 0.000 0.217 32 G HA3 -0.085 3.881 3.960 0.010 0.000 0.217 32 G C 1.551 176.379 174.900 -0.120 0.000 1.143 32 G CA 0.623 45.819 45.100 0.160 0.000 0.784 32 G HN 0.370 nan 8.290 nan 0.000 0.541 33 I N -0.313 120.144 120.570 -0.188 0.000 2.685 33 I HA 0.184 4.360 4.170 0.010 0.000 0.251 33 I C 0.347 176.378 176.117 -0.144 0.000 1.102 33 I CA -0.319 60.813 61.300 -0.279 0.000 1.442 33 I CB -0.016 37.816 38.000 -0.279 0.000 1.194 33 I HN -0.042 nan 8.210 nan 0.000 0.448 34 L N 0.939 122.121 121.223 -0.068 0.000 2.464 34 L HA 0.457 4.803 4.340 0.010 0.000 0.264 34 L C 0.806 177.856 176.870 0.301 0.000 1.199 34 L CA 0.892 55.742 54.840 0.017 0.000 0.818 34 L CB -0.053 41.799 42.059 -0.345 0.000 1.102 34 L HN 0.466 nan 8.230 nan 0.000 0.473 35 G N 0.889 109.868 108.800 0.298 0.000 2.466 35 G HA2 0.196 4.162 3.960 0.010 0.000 0.218 35 G HA3 0.196 4.162 3.960 0.010 0.000 0.218 35 G C -0.854 174.206 174.900 0.266 0.000 1.237 35 G CA -0.216 45.075 45.100 0.319 0.000 0.954 35 G HN 1.058 nan 8.290 nan 0.000 0.580 36 A N 0.057 122.944 122.820 0.112 0.000 2.303 36 A HA 0.844 5.170 4.320 0.010 0.000 0.320 36 A C -0.588 176.850 177.584 -0.244 0.000 1.192 36 A CA -0.018 52.032 52.037 0.023 0.000 0.821 36 A CB 1.037 20.065 19.000 0.048 0.000 1.188 36 A HN 1.259 nan 8.150 nan 0.000 0.492 37 H N 0.595 119.651 119.070 -0.023 0.000 2.771 37 H HA 0.431 4.993 4.556 0.010 0.000 0.361 37 H C -0.951 174.216 175.328 -0.267 0.000 1.108 37 H CA -0.518 55.428 56.048 -0.171 0.000 1.201 37 H CB 1.549 31.177 29.762 -0.223 0.000 1.681 37 H HN 0.696 nan 8.280 nan 0.000 0.534 38 E N 2.481 122.503 120.200 -0.296 0.000 2.134 38 E HA 0.210 4.566 4.350 0.010 0.000 0.278 38 E C -0.962 175.346 176.600 -0.485 0.000 0.959 38 E CA -0.591 55.633 56.400 -0.292 0.000 0.783 38 E CB 1.244 30.829 29.700 -0.191 0.000 1.095 38 E HN 0.468 nan 8.360 nan 0.000 0.399 39 Y N 2.472 122.551 120.300 -0.369 0.000 2.402 39 Y HA 0.104 4.660 4.550 0.010 0.000 0.332 39 Y C 0.818 176.533 175.900 -0.309 0.000 0.960 39 Y CA -0.617 57.253 58.100 -0.384 0.000 1.228 39 Y CB 0.848 39.023 38.460 -0.475 0.000 1.120 39 Y HN 0.635 nan 8.280 nan 0.000 0.491 40 D N 1.055 121.434 120.400 -0.035 0.000 3.587 40 D HA -0.342 4.305 4.640 0.010 0.000 0.199 40 D C 0.721 177.045 176.300 0.040 0.000 1.393 40 D CA 2.622 56.647 54.000 0.042 0.000 2.278 40 D CB -0.794 40.096 40.800 0.150 0.000 1.271 40 D HN 0.690 nan 8.370 nan 0.000 0.427 41 D N -2.209 118.217 120.400 0.044 0.000 2.430 41 D HA 0.010 4.656 4.640 0.010 0.000 0.101 41 D C -0.206 176.107 176.300 0.023 0.000 1.480 41 D CA 0.468 54.512 54.000 0.075 0.000 1.375 41 D CB -0.406 40.492 40.800 0.162 0.000 2.356 41 D HN 0.388 nan 8.370 nan 0.000 0.215 42 H N 1.430 120.504 119.070 0.006 0.000 3.167 42 H HA 0.190 4.752 4.556 0.010 0.000 0.306 42 H C -0.293 175.004 175.328 -0.051 0.000 0.965 42 H CA 0.966 56.986 56.048 -0.047 0.000 1.408 42 H CB -0.991 28.760 29.762 -0.018 0.000 1.406 42 H HN 0.179 nan 8.280 nan 0.000 0.576 43 T N 1.488 115.923 114.554 -0.199 0.000 2.749 43 T HA 0.433 4.789 4.350 0.010 0.000 0.295 43 T C 0.295 174.922 174.700 -0.122 0.000 0.936 43 T CA -1.000 60.983 62.100 -0.195 0.000 1.060 43 T CB 0.606 69.311 68.868 -0.272 0.000 0.904 43 T HN 0.420 nan 8.240 nan 0.000 0.500 44 V N 5.182 125.113 119.914 0.029 0.000 2.481 44 V HA 0.467 4.593 4.120 0.010 0.000 0.286 44 V C 0.280 176.419 176.094 0.076 0.000 1.042 44 V CA -0.850 61.496 62.300 0.075 0.000 0.928 44 V CB 1.066 32.982 31.823 0.155 0.000 0.986 44 V HN 0.866 nan 8.190 nan 0.000 0.462 45 I N 5.429 126.003 120.570 0.006 0.000 2.436 45 I HA 0.572 4.748 4.170 0.010 0.000 0.289 45 I C -0.077 176.073 176.117 0.055 0.000 1.010 45 I CA -0.582 60.716 61.300 -0.002 0.000 1.098 45 I CB 1.702 39.590 38.000 -0.187 0.000 1.266 45 I HN 0.524 nan 8.210 nan 0.000 0.434 46 R N 4.520 125.091 120.500 0.119 0.000 2.803 46 R HA 0.905 5.251 4.340 0.010 0.000 0.276 46 R C -1.074 175.326 176.300 0.167 0.000 0.978 46 R CA -1.019 55.158 56.100 0.128 0.000 0.939 46 R CB 2.525 32.880 30.300 0.091 0.000 1.179 46 R HN 0.686 nan 8.270 nan 0.000 0.472 47 A N 2.067 125.015 122.820 0.213 0.000 2.427 47 A HA 0.525 4.851 4.320 0.010 0.000 0.298 47 A C -1.738 176.061 177.584 0.358 0.000 1.036 47 A CA -0.585 51.598 52.037 0.243 0.000 0.701 47 A CB 1.144 20.252 19.000 0.179 0.000 1.250 47 A HN 0.607 nan 8.150 nan 0.000 0.412 48 F N 2.562 122.589 119.950 0.130 0.000 2.361 48 F HA 0.736 5.269 4.527 0.011 0.000 0.364 48 F C 0.231 176.151 175.800 0.201 0.000 1.117 48 F CA -0.752 57.334 58.000 0.144 0.000 1.071 48 F CB 1.006 40.016 39.000 0.016 0.000 1.188 48 F HN 0.560 nan 8.300 nan 0.000 0.464 49 R N 6.126 126.534 120.500 -0.154 0.000 2.985 49 R HA 0.262 4.608 4.340 0.010 0.000 0.259 49 R C -2.777 173.450 176.300 -0.121 0.000 1.815 49 R CA -1.582 54.419 56.100 -0.166 0.000 1.278 49 R CB 1.164 31.469 30.300 0.008 0.000 1.403 49 R HN 0.375 nan 8.270 nan 0.000 0.534 50 P HA -0.072 nan 4.420 nan 0.000 0.267 50 P C -0.476 176.851 177.300 0.044 0.000 1.201 50 P CA 0.446 63.422 63.100 -0.206 0.000 0.775 50 P CB 0.287 31.726 31.700 -0.435 0.000 0.854 51 H N -2.168 116.964 119.070 0.104 0.000 2.958 51 H HA -0.191 4.371 4.556 0.010 0.000 0.274 51 H C 0.250 175.652 175.328 0.124 0.000 1.184 51 H CA -0.145 55.992 56.048 0.147 0.000 1.143 51 H CB -1.559 28.312 29.762 0.182 0.000 1.297 51 H HN 0.544 nan 8.280 nan 0.000 0.356 52 A N 0.374 123.258 122.820 0.106 0.000 2.286 52 A HA 0.513 4.839 4.320 0.010 0.000 0.286 52 A C 1.124 178.644 177.584 -0.108 0.000 1.097 52 A CA 0.003 51.847 52.037 -0.322 0.000 0.821 52 A CB 1.100 19.840 19.000 -0.432 0.000 1.076 52 A HN 0.101 nan 8.150 nan 0.000 0.490 53 V N -0.106 119.655 119.914 -0.256 0.000 3.307 53 V HA 0.245 4.371 4.120 0.010 0.000 0.244 53 V C 0.579 176.632 176.094 -0.069 0.000 1.196 53 V CA 1.326 63.582 62.300 -0.074 0.000 1.132 53 V CB 0.059 31.845 31.823 -0.063 0.000 0.875 53 V HN 0.921 nan 8.190 nan 0.000 0.468 54 E N -1.162 118.907 120.200 -0.218 0.000 2.363 54 E HA 0.431 4.787 4.350 0.010 0.000 0.281 54 E C -0.920 175.486 176.600 -0.324 0.000 0.953 54 E CA -0.175 56.110 56.400 -0.191 0.000 0.778 54 E CB 2.685 32.329 29.700 -0.093 0.000 1.220 54 E HN -0.150 nan 8.360 nan 0.000 0.431 55 V N 2.239 121.957 119.914 -0.327 0.000 3.050 55 V HA 0.221 4.347 4.120 0.010 0.000 0.223 55 V C -0.041 175.979 176.094 -0.124 0.000 1.162 55 V CA 0.328 62.446 62.300 -0.303 0.000 1.247 55 V CB 0.285 31.859 31.823 -0.415 0.000 1.125 55 V HN 0.696 nan 8.190 nan 0.000 0.508 56 V N 0.591 120.459 119.914 -0.076 0.000 3.584 56 V HA -0.046 4.080 4.120 0.010 0.000 0.512 56 V C -0.162 175.926 176.094 -0.010 0.000 0.682 56 V CA 0.025 62.303 62.300 -0.036 0.000 2.064 56 V CB -1.531 30.276 31.823 -0.026 0.000 2.486 56 V HN 0.939 nan 8.190 nan 0.000 0.511 57 A N 6.610 129.423 122.820 -0.012 0.000 2.306 57 A HA 0.931 5.257 4.320 0.010 0.000 0.330 57 A C -0.541 177.084 177.584 0.068 0.000 1.146 57 A CA -0.790 51.264 52.037 0.028 0.000 0.827 57 A CB 1.207 20.169 19.000 -0.064 0.000 1.178 57 A HN 1.076 nan 8.150 nan 0.000 0.490 58 L N 2.247 123.550 121.223 0.133 0.000 2.316 58 L HA 0.477 4.824 4.340 0.010 0.000 0.280 58 L C -1.117 175.860 176.870 0.179 0.000 1.006 58 L CA -0.728 54.192 54.840 0.134 0.000 0.836 58 L CB 1.489 43.609 42.059 0.102 0.000 1.221 58 L HN 0.366 nan 8.230 nan 0.000 0.418 59 V N 3.016 123.035 119.914 0.176 0.000 2.326 59 V HA 0.624 4.750 4.120 0.010 0.000 0.281 59 V C 0.946 177.092 176.094 0.087 0.000 1.015 59 V CA 0.343 62.746 62.300 0.172 0.000 0.823 59 V CB 0.571 32.530 31.823 0.227 0.000 1.009 59 V HN 1.084 nan 8.190 nan 0.000 0.436 60 G N 5.416 114.255 108.800 0.065 0.000 3.879 60 G HA2 -0.323 3.643 3.960 0.010 0.000 0.318 60 G HA3 -0.323 3.643 3.960 0.010 0.000 0.318 60 G C 0.665 175.579 174.900 0.023 0.000 1.344 60 G CA 0.877 45.990 45.100 0.022 0.000 1.024 60 G HN 0.610 nan 8.290 nan 0.000 0.681 61 K N 0.907 121.315 120.400 0.013 0.000 2.589 61 K HA 0.293 4.619 4.320 0.010 0.000 0.198 61 K C -1.241 175.375 176.600 0.027 0.000 1.114 61 K CA 0.024 56.321 56.287 0.016 0.000 1.070 61 K CB 1.034 33.533 32.500 -0.002 0.000 0.860 61 K HN 0.382 nan 8.250 nan 0.000 0.536 62 D N 0.655 121.086 120.400 0.052 0.000 2.344 62 D HA 0.179 4.825 4.640 0.010 0.000 0.239 62 D C 0.289 176.683 176.300 0.157 0.000 1.064 62 D CA -0.423 53.635 54.000 0.098 0.000 0.829 62 D CB 1.645 42.499 40.800 0.091 0.000 1.129 62 D HN -0.117 nan 8.370 nan 0.000 0.506 63 R N 2.181 122.761 120.500 0.134 0.000 2.323 63 R HA 0.078 4.424 4.340 0.010 0.000 0.198 63 R C 0.290 176.676 176.300 0.143 0.000 0.988 63 R CA -0.301 55.865 56.100 0.111 0.000 1.041 63 R CB -0.278 30.065 30.300 0.071 0.000 0.926 63 R HN 0.452 nan 8.270 nan 0.000 0.476 64 F N 0.857 120.829 119.950 0.036 0.000 2.230 64 F HA -0.184 4.348 4.527 0.008 0.000 0.289 64 F C -0.311 175.530 175.800 0.067 0.000 1.177 64 F CA 0.742 58.773 58.000 0.051 0.000 0.812 64 F CB -0.359 38.675 39.000 0.057 0.000 0.971 64 F HN -0.013 nan 8.300 nan 0.000 0.546 65 S N 2.087 117.657 115.700 -0.216 0.000 5.078 65 S HA 0.572 5.048 4.470 0.010 0.000 0.180 65 S C -0.836 173.679 174.600 -0.142 0.000 1.330 65 S CA -0.158 57.881 58.200 -0.269 0.000 0.972 65 S CB -0.245 62.867 63.200 -0.147 0.000 2.034 65 S HN 0.465 nan 8.310 nan 0.000 0.615 66 L N 1.305 122.485 121.223 -0.071 0.000 0.589 66 L HA -0.143 4.203 4.340 0.010 0.000 0.356 66 L C -0.870 176.017 176.870 0.029 0.000 1.004 66 L CA 0.370 55.194 54.840 -0.027 0.000 1.223 66 L CB -0.637 41.397 42.059 -0.041 0.000 0.059 66 L HN 0.678 nan 8.230 nan 0.000 0.097 67 Q N 1.922 121.801 119.800 0.132 0.000 2.553 67 Q HA 0.777 5.123 4.340 0.010 0.000 0.293 67 Q C -0.187 176.158 176.000 0.575 0.000 1.038 67 Q CA -0.517 55.469 55.803 0.305 0.000 0.777 67 Q CB 2.315 31.231 28.738 0.296 0.000 1.487 67 Q HN 0.791 nan 8.270 nan 0.000 0.426 68 H N -1.130 118.097 119.070 0.262 0.000 3.568 68 H HA 0.136 4.698 4.556 0.010 0.000 0.271 68 H C -0.803 174.394 175.328 -0.219 0.000 1.078 68 H CA -0.091 56.032 56.048 0.124 0.000 1.128 68 H CB -0.883 28.950 29.762 0.120 0.000 2.646 68 H HN 0.615 nan 8.280 nan 0.000 0.840 69 L N -0.452 120.441 121.223 -0.550 0.000 2.744 69 L HA 0.578 4.924 4.340 0.010 0.000 0.218 69 L C 0.245 176.835 176.870 -0.466 0.000 1.190 69 L CA -0.312 54.219 54.840 -0.515 0.000 0.869 69 L CB 0.345 42.179 42.059 -0.375 0.000 1.652 69 L HN -0.037 nan 8.230 nan 0.000 0.519 70 D N -0.619 119.600 120.400 -0.301 0.000 3.819 70 D HA -0.231 4.415 4.640 0.010 0.000 0.273 70 D C 0.051 176.237 176.300 -0.189 0.000 2.114 70 D CA 1.509 55.380 54.000 -0.215 0.000 1.109 70 D CB -0.543 40.154 40.800 -0.171 0.000 0.950 70 D HN 0.749 nan 8.370 nan 0.000 1.132 71 S N 0.418 116.059 115.700 -0.098 0.000 2.577 71 S HA 0.532 5.008 4.470 0.010 0.000 0.239 71 S C 0.987 175.614 174.600 0.045 0.000 1.236 71 S CA 0.483 58.664 58.200 -0.031 0.000 1.233 71 S CB 0.556 63.754 63.200 -0.003 0.000 0.908 71 S HN 0.801 nan 8.310 nan 0.000 0.493 72 G N 0.559 109.346 108.800 -0.022 0.000 2.624 72 G HA2 -0.148 3.818 3.960 0.010 0.000 0.190 72 G HA3 -0.148 3.818 3.960 0.010 0.000 0.190 72 G C -0.309 174.707 174.900 0.194 0.000 1.008 72 G CA -0.648 44.508 45.100 0.092 0.000 0.731 72 G HN 0.435 nan 8.290 nan 0.000 0.478 73 L N 1.281 122.559 121.223 0.093 0.000 2.379 73 L HA 0.907 5.253 4.340 0.010 0.000 0.269 73 L C -0.802 175.927 176.870 -0.235 0.000 1.084 73 L CA -0.849 54.091 54.840 0.168 0.000 0.802 73 L CB 0.796 42.906 42.059 0.085 0.000 1.175 73 L HN 0.036 nan 8.230 nan 0.000 0.448 74 F N 2.265 122.260 119.950 0.074 0.000 2.588 74 F HA 0.800 5.335 4.527 0.013 0.000 0.310 74 F C -0.098 175.717 175.800 0.024 0.000 1.082 74 F CA -0.509 57.513 58.000 0.037 0.000 0.929 74 F CB 1.918 40.944 39.000 0.044 0.000 1.254 74 F HN 0.561 nan 8.300 nan 0.000 0.455 75 A N 1.098 124.019 122.820 0.167 0.000 2.449 75 A HA 0.742 5.068 4.320 0.010 0.000 0.302 75 A C -0.454 177.168 177.584 0.064 0.000 1.048 75 A CA -0.532 51.556 52.037 0.085 0.000 0.708 75 A CB 1.442 20.453 19.000 0.020 0.000 1.274 75 A HN 0.573 nan 8.150 nan 0.000 0.410 76 V N 1.137 121.056 119.914 0.008 0.000 2.672 76 V HA 0.367 4.493 4.120 0.010 0.000 0.242 76 V C 1.852 177.899 176.094 -0.078 0.000 1.059 76 V CA 1.721 63.986 62.300 -0.058 0.000 1.081 76 V CB -1.390 30.355 31.823 -0.130 0.000 0.752 76 V HN 2.316 nan 8.190 nan 0.000 0.472 77 A N -0.198 122.595 122.820 -0.046 0.000 5.277 77 A HA -0.276 4.050 4.320 0.010 0.000 0.304 77 A C 0.444 177.999 177.584 -0.047 0.000 1.976 77 A CA 1.008 53.041 52.037 -0.005 0.000 0.715 77 A CB -1.679 17.326 19.000 0.008 0.000 1.275 77 A HN 1.074 nan 8.150 nan 0.000 0.367 78 L N -2.895 118.320 121.223 -0.014 0.000 0.722 78 L HA -0.156 4.191 4.340 0.010 0.000 0.359 78 L C -1.807 175.106 176.870 0.071 0.000 1.004 78 L CA 0.058 54.931 54.840 0.054 0.000 1.220 78 L CB -1.232 40.787 42.059 -0.067 0.000 0.106 78 L HN 0.787 nan 8.230 nan 0.000 0.138 79 P HA 0.062 nan 4.420 nan 0.000 0.295 79 P C -0.332 176.969 177.300 0.002 0.000 1.300 79 P CA 0.345 63.532 63.100 0.145 0.000 0.801 79 P CB 0.174 31.994 31.700 0.199 0.000 1.420 80 F N -4.669 115.366 119.950 0.140 0.000 2.057 80 F HA -0.121 4.413 4.527 0.010 0.000 0.435 80 F C -1.020 174.839 175.800 0.098 0.000 1.192 80 F CA -0.764 57.296 58.000 0.100 0.000 1.395 80 F CB -1.977 37.071 39.000 0.080 0.000 2.318 80 F HN 0.214 nan 8.300 nan 0.000 0.716 81 V N -0.984 119.123 119.914 0.321 0.000 3.229 81 V HA 0.782 4.909 4.120 0.010 0.000 0.310 81 V C 0.842 177.107 176.094 0.284 0.000 1.206 81 V CA 0.127 62.525 62.300 0.163 0.000 1.051 81 V CB 1.416 33.294 31.823 0.091 0.000 1.183 81 V HN 1.430 nan 8.190 nan 0.000 0.466 82 D N -1.346 119.141 120.400 0.145 0.000 4.018 82 D HA -0.319 4.327 4.640 0.010 0.000 0.207 82 D C 1.323 177.737 176.300 0.191 0.000 1.219 82 D CA 2.648 56.729 54.000 0.135 0.000 2.366 82 D CB -0.771 40.103 40.800 0.123 0.000 1.202 82 D HN 1.271 nan 8.370 nan 0.000 0.414 83 L N 0.258 121.694 121.223 0.354 0.000 3.519 83 L HA -0.335 4.011 4.340 0.010 0.000 0.056 83 L C -0.021 176.982 176.870 0.221 0.000 4.396 83 L CA 3.215 58.305 54.840 0.417 0.000 0.548 83 L CB -1.147 41.144 42.059 0.388 0.000 3.530 83 L HN 0.695 nan 8.230 nan 0.000 0.816 84 I N 0.960 121.630 120.570 0.168 0.000 7.863 84 I HA -0.177 3.999 4.170 0.010 0.000 0.126 84 I C 0.251 176.426 176.117 0.096 0.000 1.842 84 I CA 1.171 62.527 61.300 0.093 0.000 2.048 84 I CB -1.403 36.630 38.000 0.055 0.000 3.719 84 I HN 0.919 nan 8.210 nan 0.000 0.172 85 D N 4.167 124.606 120.400 0.066 0.000 10.877 85 D HA -0.166 4.480 4.640 0.010 0.000 0.348 85 D C -0.552 175.828 176.300 0.134 0.000 3.124 85 D CA 1.923 55.904 54.000 -0.032 0.000 2.670 85 D CB 0.095 40.859 40.800 -0.061 0.000 1.183 85 D HN 0.743 nan 8.370 nan 0.000 0.937 86 Y N -0.470 119.841 120.300 0.020 0.000 2.963 86 Y HA 0.748 5.304 4.550 0.010 0.000 0.322 86 Y C -0.956 174.965 175.900 0.036 0.000 1.553 86 Y CA -1.177 56.949 58.100 0.044 0.000 1.098 86 Y CB 0.660 39.165 38.460 0.074 0.000 2.098 86 Y HN 0.649 nan 8.280 nan 0.000 0.413 87 R N 0.835 121.522 120.500 0.311 0.000 2.634 87 R HA 0.629 4.975 4.340 0.010 0.000 0.263 87 R C -2.162 174.275 176.300 0.228 0.000 1.060 87 R CA -0.688 55.499 56.100 0.147 0.000 0.898 87 R CB 2.069 32.400 30.300 0.052 0.000 1.253 87 R HN 0.782 nan 8.270 nan 0.000 0.461 88 L N 2.064 123.379 121.223 0.154 0.000 2.352 88 L HA 0.509 4.855 4.340 0.010 0.000 0.269 88 L C -0.072 176.825 176.870 0.046 0.000 1.034 88 L CA -0.634 54.275 54.840 0.114 0.000 0.806 88 L CB 1.654 43.783 42.059 0.117 0.000 1.244 88 L HN 0.567 nan 8.230 nan 0.000 0.447 89 Q N 1.553 121.364 119.800 0.019 0.000 3.244 89 Q HA 0.311 4.658 4.340 0.010 0.000 0.249 89 Q C -1.347 174.643 176.000 -0.016 0.000 0.951 89 Q CA -0.345 55.463 55.803 0.008 0.000 0.740 89 Q CB 1.496 30.236 28.738 0.004 0.000 1.334 89 Q HN 0.485 nan 8.270 nan 0.000 0.448 90 V N 1.329 121.244 119.914 0.001 0.000 2.963 90 V HA 0.339 4.465 4.120 0.010 0.000 0.306 90 V C 0.395 176.468 176.094 -0.036 0.000 1.077 90 V CA 0.269 62.524 62.300 -0.075 0.000 1.124 90 V CB 1.393 33.224 31.823 0.014 0.000 0.987 90 V HN 0.623 nan 8.190 nan 0.000 0.487 91 T N 2.344 116.765 114.554 -0.222 0.000 2.923 91 T HA 0.694 5.050 4.350 0.010 0.000 0.311 91 T C -1.425 173.089 174.700 -0.311 0.000 1.183 91 T CA -0.338 61.701 62.100 -0.101 0.000 1.020 91 T CB 1.433 70.262 68.868 -0.065 0.000 1.165 91 T HN 0.480 nan 8.240 nan 0.000 0.482 92 Y N -0.036 120.274 120.300 0.017 0.000 2.669 92 Y HA 0.469 5.024 4.550 0.008 0.000 0.335 92 Y C 0.328 176.240 175.900 0.021 0.000 1.116 92 Y CA -1.398 56.717 58.100 0.024 0.000 1.081 92 Y CB 1.150 39.627 38.460 0.028 0.000 1.297 92 Y HN 0.516 nan 8.280 nan 0.000 0.484 93 E N 0.282 120.601 120.200 0.199 0.000 2.316 93 E HA 0.367 4.723 4.350 0.010 0.000 0.275 93 E C 0.500 177.153 176.600 0.088 0.000 1.029 93 E CA 0.859 57.324 56.400 0.107 0.000 0.871 93 E CB 0.630 30.376 29.700 0.076 0.000 1.022 93 E HN 0.888 nan 8.360 nan 0.000 0.418 94 G N 2.203 111.041 108.800 0.063 0.000 2.253 94 G HA2 -0.299 3.667 3.960 0.010 0.000 0.251 94 G HA3 -0.299 3.667 3.960 0.010 0.000 0.251 94 G C 0.137 175.065 174.900 0.046 0.000 0.998 94 G CA 0.080 45.206 45.100 0.044 0.000 0.621 94 G HN 0.639 nan 8.290 nan 0.000 0.524 95 C N 0.834 120.177 119.300 0.071 0.000 2.719 95 C HA 0.771 5.237 4.460 0.010 0.000 0.327 95 C C 0.389 175.431 174.990 0.086 0.000 1.238 95 C CA -0.638 58.421 59.018 0.068 0.000 1.727 95 C CB 1.392 29.170 27.740 0.063 0.000 2.256 95 C HN 0.485 nan 8.230 nan 0.000 0.489 96 E N 2.323 122.569 120.200 0.077 0.000 2.283 96 E HA 0.355 4.712 4.350 0.010 0.000 0.271 96 E C -2.187 174.484 176.600 0.119 0.000 1.031 96 E CA -0.966 55.484 56.400 0.084 0.000 0.868 96 E CB 0.646 30.390 29.700 0.073 0.000 1.094 96 E HN 0.507 nan 8.360 nan 0.000 0.401 97 P HA -0.032 nan 4.420 nan 0.000 0.271 97 P C -1.062 176.353 177.300 0.193 0.000 1.233 97 P CA 0.494 63.665 63.100 0.118 0.000 0.795 97 P CB 0.352 32.089 31.700 0.062 0.000 0.936 98 H N -1.354 117.747 119.070 0.051 0.000 3.128 98 H HA 0.352 4.914 4.556 0.009 0.000 0.336 98 H C -1.038 174.311 175.328 0.035 0.000 1.026 98 H CA -0.444 55.631 56.048 0.045 0.000 1.376 98 H CB 0.752 30.550 29.762 0.059 0.000 1.882 98 H HN 0.266 nan 8.280 nan 0.000 0.479 99 T N 2.580 116.955 114.554 -0.298 0.000 2.729 99 T HA 0.615 4.971 4.350 0.010 0.000 0.296 99 T C -0.377 174.196 174.700 -0.212 0.000 0.928 99 T CA -0.524 61.470 62.100 -0.178 0.000 1.045 99 T CB 0.269 69.061 68.868 -0.128 0.000 0.902 99 T HN 0.238 nan 8.240 nan 0.000 0.500 100 V N 2.103 121.971 119.914 -0.078 0.000 2.962 100 V HA 0.820 4.946 4.120 0.010 0.000 0.313 100 V C 0.576 176.637 176.094 -0.055 0.000 1.099 100 V CA -1.492 60.768 62.300 -0.067 0.000 0.971 100 V CB 1.776 33.578 31.823 -0.035 0.000 1.028 100 V HN 1.239 nan 8.190 nan 0.000 0.430 101 A N 1.068 123.850 122.820 -0.064 0.000 2.351 101 A HA 0.483 4.809 4.320 0.010 0.000 0.257 101 A C -0.156 177.395 177.584 -0.055 0.000 1.087 101 A CA -0.035 51.984 52.037 -0.031 0.000 0.798 101 A CB 0.155 19.218 19.000 0.105 0.000 1.033 101 A HN 0.934 nan 8.150 nan 0.000 0.488 102 D N 1.208 121.583 120.400 -0.042 0.000 2.339 102 D HA 0.478 5.124 4.640 0.010 0.000 0.241 102 D C 1.029 177.397 176.300 0.113 0.000 1.183 102 D CA 0.572 54.589 54.000 0.029 0.000 0.859 102 D CB 1.117 41.990 40.800 0.122 0.000 1.067 102 D HN 0.497 nan 8.370 nan 0.000 0.484 103 A N 3.777 126.540 122.820 -0.094 0.000 1.908 103 A HA -0.214 4.112 4.320 0.010 0.000 0.218 103 A C 1.466 179.005 177.584 -0.076 0.000 1.181 103 A CA 1.175 53.118 52.037 -0.157 0.000 0.627 103 A CB -0.931 17.753 19.000 -0.528 0.000 0.818 103 A HN 0.765 nan 8.150 nan 0.000 0.445 104 Y N -0.647 119.709 120.300 0.093 0.000 2.632 104 Y HA -0.003 4.554 4.550 0.010 0.000 0.301 104 Y C 2.249 178.227 175.900 0.131 0.000 1.172 104 Y CA 1.025 59.062 58.100 -0.105 0.000 1.328 104 Y CB -0.159 38.188 38.460 -0.188 0.000 1.016 104 Y HN 0.337 nan 8.280 nan 0.000 0.529 105 R N -0.404 120.222 120.500 0.211 0.000 2.265 105 R HA 0.062 4.408 4.340 0.010 0.000 0.194 105 R C -0.381 175.883 176.300 -0.060 0.000 0.931 105 R CA 0.005 56.136 56.100 0.050 0.000 1.032 105 R CB -0.021 30.214 30.300 -0.108 0.000 0.980 105 R HN 0.135 nan 8.270 nan 0.000 0.497 106 F N 1.485 121.459 119.950 0.039 0.000 2.418 106 F HA 0.243 4.774 4.527 0.007 0.000 0.341 106 F C 0.862 176.646 175.800 -0.027 0.000 1.120 106 F CA -0.346 57.624 58.000 -0.051 0.000 1.232 106 F CB 0.649 39.608 39.000 -0.069 0.000 1.175 106 F HN -0.164 nan 8.300 nan 0.000 0.569 107 L N 3.359 124.596 121.223 0.023 0.000 2.466 107 L HA 0.274 4.621 4.340 0.010 0.000 0.257 107 L C -2.030 174.822 176.870 -0.031 0.000 1.189 107 L CA -1.907 52.922 54.840 -0.019 0.000 0.813 107 L CB 0.055 42.075 42.059 -0.064 0.000 1.118 107 L HN 0.371 nan 8.230 nan 0.000 0.471 108 P HA -0.029 nan 4.420 nan 0.000 0.262 108 P C 0.233 177.516 177.300 -0.029 0.000 1.182 108 P CA 0.119 63.195 63.100 -0.039 0.000 0.761 108 P CB 0.398 32.073 31.700 -0.041 0.000 0.795 109 T N 0.382 114.934 114.554 -0.004 0.000 3.219 109 T HA 0.247 4.604 4.350 0.010 0.000 0.249 109 T C 0.325 175.033 174.700 0.014 0.000 1.099 109 T CA 0.073 62.182 62.100 0.015 0.000 0.988 109 T CB -0.554 68.344 68.868 0.049 0.000 0.999 109 T HN 0.177 nan 8.240 nan 0.000 0.550 110 L N 1.093 122.316 121.223 0.000 0.000 2.410 110 L HA 0.685 5.031 4.340 0.010 0.000 0.270 110 L C 0.692 177.559 176.870 -0.005 0.000 0.983 110 L CA -1.352 53.479 54.840 -0.015 0.000 0.822 110 L CB 1.972 44.017 42.059 -0.022 0.000 1.285 110 L HN 0.244 nan 8.230 nan 0.000 0.409 111 G N 0.611 109.409 108.800 -0.003 0.000 2.572 111 G HA2 0.181 4.147 3.960 0.010 0.000 0.261 111 G HA3 0.181 4.147 3.960 0.010 0.000 0.261 111 G C 0.453 175.368 174.900 0.025 0.000 1.197 111 G CA -0.126 44.979 45.100 0.008 0.000 0.870 111 G HN 0.743 nan 8.290 nan 0.000 0.548 112 E N -0.392 119.823 120.200 0.025 0.000 2.106 112 E HA -0.106 4.250 4.350 0.010 0.000 0.192 112 E C 2.686 179.328 176.600 0.071 0.000 0.984 112 E CA 0.672 57.096 56.400 0.041 0.000 0.806 112 E CB -0.106 29.605 29.700 0.018 0.000 0.750 112 E HN 0.239 nan 8.360 nan 0.000 0.458 113 V N 1.400 121.344 119.914 0.050 0.000 2.261 113 V HA -0.271 3.855 4.120 0.010 0.000 0.246 113 V C 1.702 177.869 176.094 0.121 0.000 1.047 113 V CA 2.128 64.467 62.300 0.066 0.000 1.015 113 V CB -0.526 31.309 31.823 0.020 0.000 0.642 113 V HN 0.287 nan 8.190 nan 0.000 0.446 114 D N 0.130 120.598 120.400 0.113 0.000 2.123 114 D HA -0.150 4.496 4.640 0.010 0.000 0.196 114 D C 2.170 178.601 176.300 0.219 0.000 0.992 114 D CA 1.315 55.434 54.000 0.197 0.000 0.833 114 D CB -0.193 40.675 40.800 0.113 0.000 0.954 114 D HN 0.352 nan 8.370 nan 0.000 0.455 115 L N 0.300 121.617 121.223 0.156 0.000 2.083 115 L HA -0.174 4.172 4.340 0.010 0.000 0.209 115 L C 2.578 179.572 176.870 0.206 0.000 1.083 115 L CA 0.994 55.948 54.840 0.190 0.000 0.752 115 L CB -0.534 41.609 42.059 0.139 0.000 0.899 115 L HN 0.222 nan 8.230 nan 0.000 0.433 116 H N 0.583 119.710 119.070 0.094 0.000 2.357 116 H HA -0.114 4.448 4.556 0.010 0.000 0.301 116 H C 2.304 177.670 175.328 0.064 0.000 1.082 116 H CA 1.426 57.509 56.048 0.057 0.000 1.342 116 H CB 0.198 29.976 29.762 0.027 0.000 1.389 116 H HN 0.279 nan 8.280 nan 0.000 0.511 117 L N -0.132 121.140 121.223 0.081 0.000 2.046 117 L HA -0.189 4.157 4.340 0.010 0.000 0.208 117 L C 2.632 179.557 176.870 0.092 0.000 1.077 117 L CA 1.134 55.992 54.840 0.030 0.000 0.747 117 L CB -0.578 41.488 42.059 0.011 0.000 0.896 117 L HN 0.209 nan 8.230 nan 0.000 0.432 118 F N 1.041 120.999 119.950 0.014 0.000 2.146 118 F HA -0.168 4.365 4.527 0.011 0.000 0.298 118 F C 2.410 178.132 175.800 -0.132 0.000 1.096 118 F CA 1.071 59.043 58.000 -0.047 0.000 1.275 118 F CB -0.450 38.497 39.000 -0.089 0.000 1.008 118 F HN -0.014 nan 8.300 nan 0.000 0.480 119 A N -0.110 122.551 122.820 -0.264 0.000 2.019 119 A HA -0.185 4.141 4.320 0.010 0.000 0.219 119 A C 2.064 179.450 177.584 -0.330 0.000 1.164 119 A CA 1.803 53.617 52.037 -0.371 0.000 0.644 119 A CB -0.789 18.093 19.000 -0.196 0.000 0.805 119 A HN 0.587 nan 8.150 nan 0.000 0.449 120 E N -1.554 118.470 120.200 -0.292 0.000 2.478 120 E HA 0.231 4.587 4.350 0.010 0.000 0.194 120 E C 1.017 177.532 176.600 -0.142 0.000 1.045 120 E CA 0.216 56.485 56.400 -0.220 0.000 0.868 120 E CB -0.091 29.466 29.700 -0.239 0.000 0.885 120 E HN 0.717 nan 8.360 nan 0.000 0.505 121 G N 2.722 111.428 108.800 -0.157 0.000 2.221 121 G HA2 -0.333 3.633 3.960 0.010 0.000 0.265 121 G HA3 -0.333 3.633 3.960 0.010 0.000 0.265 121 G C 0.512 175.438 174.900 0.044 0.000 1.041 121 G CA 0.690 45.749 45.100 -0.067 0.000 0.807 121 G HN 0.411 nan 8.290 nan 0.000 0.502 122 R N -0.972 119.561 120.500 0.054 0.000 2.659 122 R HA 0.263 4.609 4.340 0.010 0.000 0.418 122 R C 0.049 176.402 176.300 0.089 0.000 1.076 122 R CA -0.763 55.377 56.100 0.067 0.000 1.093 122 R CB 0.398 30.707 30.300 0.014 0.000 1.400 122 R HN 0.336 nan 8.270 nan 0.000 0.583 123 H N 2.542 121.659 119.070 0.078 0.000 2.782 123 H HA 0.159 4.721 4.556 0.010 0.000 0.285 123 H C 0.061 175.410 175.328 0.035 0.000 1.093 123 H CA 0.098 56.172 56.048 0.043 0.000 1.410 123 H CB 0.935 30.727 29.762 0.049 0.000 1.439 123 H HN 0.326 nan 8.280 nan 0.000 0.469 124 E N 3.889 124.170 120.200 0.136 0.000 2.482 124 E HA -0.016 4.340 4.350 0.010 0.000 0.196 124 E C 0.248 176.845 176.600 -0.005 0.000 1.047 124 E CA 0.408 56.886 56.400 0.131 0.000 0.869 124 E CB 0.552 30.293 29.700 0.068 0.000 0.836 124 E HN 0.488 nan 8.360 nan 0.000 0.520 125 R N 0.683 121.139 120.500 -0.074 0.000 2.711 125 R HA 0.131 4.477 4.340 0.010 0.000 0.350 125 R C 0.760 176.510 176.300 -0.917 0.000 1.146 125 R CA -0.137 55.363 56.100 -1.001 0.000 1.190 125 R CB 0.301 30.204 30.300 -0.661 0.000 1.312 125 R HN 0.006 nan 8.270 nan 0.000 0.635 126 L N 1.030 121.954 121.223 -0.499 0.000 2.187 126 L HA -0.124 4.222 4.340 0.010 0.000 0.213 126 L C 1.747 178.384 176.870 -0.389 0.000 1.100 126 L CA 1.764 56.280 54.840 -0.540 0.000 0.765 126 L CB -0.328 41.706 42.059 -0.041 0.000 0.904 126 L HN 0.523 nan 8.230 nan 0.000 0.437 127 W N -0.844 120.506 121.300 0.083 0.000 2.525 127 W HA -0.030 4.636 4.660 0.009 0.000 0.259 127 W C 1.633 178.278 176.519 0.211 0.000 1.253 127 W CA 0.745 58.212 57.345 0.204 0.000 1.262 127 W CB -0.953 28.690 29.460 0.305 0.000 1.122 127 W HN 0.198 nan 8.180 nan 0.000 0.607 128 E N 0.593 120.598 120.200 -0.325 0.000 2.442 128 E HA -0.045 4.311 4.350 0.010 0.000 0.195 128 E C 1.970 178.259 176.600 -0.518 0.000 1.030 128 E CA 0.656 56.857 56.400 -0.332 0.000 0.869 128 E CB 0.199 29.673 29.700 -0.377 0.000 0.857 128 E HN 0.296 nan 8.360 nan 0.000 0.505 129 V N 0.968 120.610 119.914 -0.454 0.000 2.490 129 V HA 0.031 4.157 4.120 0.010 0.000 0.238 129 V C 1.144 177.043 176.094 -0.324 0.000 1.056 129 V CA 0.573 62.614 62.300 -0.431 0.000 1.075 129 V CB 0.083 31.569 31.823 -0.563 0.000 0.746 129 V HN 0.098 nan 8.190 nan 0.000 0.479 130 L N -0.346 120.575 121.223 -0.503 0.000 2.439 130 L HA 0.686 5.032 4.340 0.010 0.000 0.259 130 L C 0.824 177.568 176.870 -0.210 0.000 1.129 130 L CA 0.690 55.202 54.840 -0.546 0.000 0.803 130 L CB 0.705 42.023 42.059 -1.236 0.000 1.161 130 L HN 0.489 nan 8.230 nan 0.000 0.462 131 G N 0.807 109.576 108.800 -0.051 0.000 2.512 131 G HA2 0.040 4.006 3.960 0.010 0.000 0.210 131 G HA3 0.040 4.006 3.960 0.010 0.000 0.210 131 G C -0.947 173.979 174.900 0.043 0.000 1.295 131 G CA -0.292 44.839 45.100 0.052 0.000 0.934 131 G HN 0.989 nan 8.290 nan 0.000 0.554 132 A N 0.175 122.887 122.820 -0.180 0.000 2.287 132 A HA 0.816 5.142 4.320 0.010 0.000 0.317 132 A C -0.541 176.765 177.584 -0.465 0.000 1.220 132 A CA -0.063 51.699 52.037 -0.459 0.000 0.835 132 A CB 0.766 19.415 19.000 -0.585 0.000 1.180 132 A HN 1.200 nan 8.150 nan 0.000 0.500 133 H N 2.160 121.129 119.070 -0.168 0.000 2.689 133 H HA 0.461 5.022 4.556 0.009 0.000 0.346 133 H C -2.827 172.458 175.328 -0.072 0.000 1.037 133 H CA -1.524 54.503 56.048 -0.034 0.000 1.234 133 H CB 1.779 31.545 29.762 0.008 0.000 1.572 133 H HN 0.402 nan 8.280 nan 0.000 0.524 134 P HA 0.218 nan 4.420 nan 0.000 0.271 134 P C -0.531 176.809 177.300 0.067 0.000 1.216 134 P CA -0.190 62.955 63.100 0.075 0.000 0.776 134 P CB 0.920 32.663 31.700 0.072 0.000 0.881 135 R N 1.182 121.744 120.500 0.104 0.000 2.774 135 R HA 0.698 5.044 4.340 0.010 0.000 0.272 135 R C -1.055 175.160 176.300 -0.142 0.000 1.000 135 R CA -0.802 55.231 56.100 -0.111 0.000 0.906 135 R CB 2.126 32.283 30.300 -0.239 0.000 1.227 135 R HN 0.299 nan 8.270 nan 0.000 0.468 136 S N 1.146 116.565 115.700 -0.469 0.000 2.557 136 S HA 0.652 5.128 4.470 0.010 0.000 0.291 136 S C -1.429 172.791 174.600 -0.633 0.000 1.116 136 S CA -0.580 57.433 58.200 -0.311 0.000 0.992 136 S CB 0.956 64.074 63.200 -0.138 0.000 1.028 136 S HN 0.337 nan 8.310 nan 0.000 0.484 137 F N 0.894 120.849 119.950 0.009 0.000 2.540 137 F HA 0.462 4.994 4.527 0.008 0.000 0.317 137 F C 0.678 176.536 175.800 0.096 0.000 1.104 137 F CA -0.741 57.288 58.000 0.047 0.000 0.913 137 F CB 1.960 41.034 39.000 0.124 0.000 1.170 137 F HN 0.392 nan 8.300 nan 0.000 0.450 138 T N 2.219 116.901 114.554 0.213 0.000 2.811 138 T HA 0.373 4.730 4.350 0.010 0.000 0.309 138 T C 0.444 175.220 174.700 0.128 0.000 1.005 138 T CA -0.294 61.888 62.100 0.136 0.000 0.955 138 T CB -0.205 68.706 68.868 0.071 0.000 0.970 138 T HN 0.855 nan 8.240 nan 0.000 0.496 139 T N 3.116 117.740 114.554 0.117 0.000 3.753 139 T HA 0.626 4.982 4.350 0.010 0.000 0.299 139 T C 1.767 176.481 174.700 0.023 0.000 1.202 139 T CA 0.122 62.249 62.100 0.045 0.000 0.945 139 T CB -0.281 68.590 68.868 0.005 0.000 2.279 139 T HN 0.472 nan 8.240 nan 0.000 0.509 140 A N 0.688 123.508 122.820 0.001 0.000 1.881 140 A HA 0.201 4.527 4.320 0.010 0.000 0.210 140 A C 1.771 179.363 177.584 0.014 0.000 1.239 140 A CA 0.729 52.770 52.037 0.006 0.000 0.629 140 A CB -0.844 18.157 19.000 0.001 0.000 0.906 140 A HN 0.703 nan 8.150 nan 0.000 0.460 141 D N 0.058 120.466 120.400 0.013 0.000 2.358 141 D HA 0.393 5.039 4.640 0.010 0.000 0.241 141 D C 0.890 177.206 176.300 0.026 0.000 1.094 141 D CA 1.361 55.372 54.000 0.019 0.000 0.907 141 D CB -0.009 40.802 40.800 0.018 0.000 0.893 141 D HN 0.665 nan 8.370 nan 0.000 0.528 142 G N -1.064 107.757 108.800 0.034 0.000 2.331 142 G HA2 -0.072 3.894 3.960 0.010 0.000 0.402 142 G HA3 -0.072 3.894 3.960 0.010 0.000 0.402 142 G C -1.300 173.641 174.900 0.070 0.000 1.275 142 G CA -0.476 44.650 45.100 0.043 0.000 1.003 142 G HN 0.163 nan 8.290 nan 0.000 0.500 143 V N -0.036 119.920 119.914 0.071 0.000 2.498 143 V HA 0.650 4.776 4.120 0.010 0.000 0.279 143 V C 0.210 176.380 176.094 0.126 0.000 1.048 143 V CA -0.354 62.005 62.300 0.098 0.000 0.967 143 V CB 1.135 32.996 31.823 0.063 0.000 0.988 143 V HN 1.083 nan 8.190 nan 0.000 0.473 144 V N 6.542 126.580 119.914 0.207 0.000 2.417 144 V HA 0.557 4.683 4.120 0.010 0.000 0.291 144 V C 0.151 176.402 176.094 0.261 0.000 1.024 144 V CA -0.257 62.185 62.300 0.237 0.000 0.861 144 V CB 1.833 33.881 31.823 0.374 0.000 0.985 144 V HN 0.963 nan 8.190 nan 0.000 0.436 145 S N 2.314 118.123 115.700 0.181 0.000 2.578 145 S HA 0.979 5.455 4.470 0.010 0.000 0.301 145 S C 0.329 175.024 174.600 0.159 0.000 1.091 145 S CA 0.014 58.329 58.200 0.193 0.000 1.032 145 S CB 1.990 65.249 63.200 0.099 0.000 1.064 145 S HN 1.254 nan 8.310 nan 0.000 0.508 146 G N 0.138 109.077 108.800 0.231 0.000 2.364 146 G HA2 0.493 4.459 3.960 0.010 0.000 0.286 146 G HA3 0.493 4.459 3.960 0.010 0.000 0.286 146 G C -2.064 172.948 174.900 0.187 0.000 1.241 146 G CA -0.426 44.676 45.100 0.004 0.000 0.887 146 G HN 0.688 nan 8.290 nan 0.000 0.484 147 V N 0.557 120.493 119.914 0.036 0.000 2.656 147 V HA 0.694 4.820 4.120 0.010 0.000 0.307 147 V C 0.178 176.246 176.094 -0.042 0.000 1.051 147 V CA -0.552 61.725 62.300 -0.039 0.000 0.893 147 V CB 1.542 33.169 31.823 -0.326 0.000 0.999 147 V HN 0.995 nan 8.190 nan 0.000 0.426 148 S N 4.325 120.022 115.700 -0.006 0.000 2.525 148 S HA 0.766 5.242 4.470 0.010 0.000 0.278 148 S C -1.114 173.311 174.600 -0.291 0.000 1.234 148 S CA -0.244 58.025 58.200 0.115 0.000 1.058 148 S CB 0.255 63.567 63.200 0.187 0.000 0.983 148 S HN 0.372 nan 8.310 nan 0.000 0.495 149 F N 2.228 122.268 119.950 0.151 0.000 2.520 149 F HA 0.762 5.294 4.527 0.009 0.000 0.322 149 F C 0.322 176.228 175.800 0.177 0.000 1.103 149 F CA -0.635 57.467 58.000 0.170 0.000 0.926 149 F CB 2.292 41.415 39.000 0.206 0.000 1.154 149 F HN 0.769 nan 8.300 nan 0.000 0.453 150 A N 2.374 125.385 122.820 0.319 0.000 2.437 150 A HA 0.844 5.170 4.320 0.010 0.000 0.293 150 A C -1.810 175.827 177.584 0.088 0.000 1.038 150 A CA -0.705 51.425 52.037 0.155 0.000 0.708 150 A CB 1.173 20.210 19.000 0.062 0.000 1.251 150 A HN 0.597 nan 8.150 nan 0.000 0.409 151 V N -0.276 119.667 119.914 0.048 0.000 2.841 151 V HA 0.603 4.729 4.120 0.010 0.000 0.310 151 V C -0.857 175.449 176.094 0.353 0.000 1.090 151 V CA -0.734 61.623 62.300 0.095 0.000 0.930 151 V CB 1.740 33.423 31.823 -0.233 0.000 1.014 151 V HN 1.000 nan 8.190 nan 0.000 0.425 152 W N 4.206 125.625 121.300 0.198 0.000 2.335 152 W HA 0.714 5.379 4.660 0.010 0.000 0.306 152 W C 0.118 176.858 176.519 0.369 0.000 1.216 152 W CA -0.407 57.108 57.345 0.283 0.000 1.237 152 W CB 1.087 30.730 29.460 0.304 0.000 1.243 152 W HN 0.915 nan 8.180 nan 0.000 0.493 153 A N 8.330 131.208 122.820 0.096 0.000 3.200 153 A HA 0.294 4.620 4.320 0.010 0.000 0.274 153 A C -2.054 175.616 177.584 0.144 0.000 1.220 153 A CA -0.770 51.310 52.037 0.071 0.000 0.904 153 A CB 0.264 19.453 19.000 0.314 0.000 1.415 153 A HN 0.402 nan 8.150 nan 0.000 0.630 154 P HA -0.185 nan 4.420 nan 0.000 0.216 154 P C 0.952 178.281 177.300 0.050 0.000 1.157 154 P CA 1.542 64.606 63.100 -0.061 0.000 0.880 154 P CB 0.184 31.791 31.700 -0.156 0.000 0.791 155 N N -1.145 117.563 118.700 0.014 0.000 2.336 155 N HA 0.154 4.900 4.740 0.010 0.000 0.189 155 N C 0.497 176.066 175.510 0.098 0.000 1.113 155 N CA 0.020 53.098 53.050 0.046 0.000 0.858 155 N CB 0.084 38.566 38.487 -0.008 0.000 0.970 155 N HN 0.093 nan 8.380 nan 0.000 0.471 156 A N 1.112 124.034 122.820 0.171 0.000 2.407 156 A HA 0.148 4.474 4.320 0.010 0.000 0.248 156 A C 1.221 178.940 177.584 0.225 0.000 1.082 156 A CA -0.058 52.051 52.037 0.120 0.000 0.785 156 A CB 0.714 19.698 19.000 -0.025 0.000 1.020 156 A HN -0.060 nan 8.150 nan 0.000 0.489 157 K N 0.672 121.145 120.400 0.120 0.000 2.400 157 K HA 0.174 4.500 4.320 0.010 0.000 0.194 157 K C 0.710 177.383 176.600 0.121 0.000 1.033 157 K CA 1.053 57.431 56.287 0.152 0.000 1.021 157 K CB 0.212 32.763 32.500 0.086 0.000 0.808 157 K HN 0.990 nan 8.250 nan 0.000 0.505 158 G N -0.236 108.472 108.800 -0.153 0.000 2.442 158 G HA2 0.351 4.317 3.960 0.010 0.000 0.296 158 G HA3 0.351 4.317 3.960 0.010 0.000 0.296 158 G C -1.792 172.705 174.900 -0.671 0.000 1.564 158 G CA -0.694 44.105 45.100 -0.501 0.000 0.828 158 G HN -0.149 nan 8.290 nan 0.000 0.571 159 V N 0.616 120.003 119.914 -0.878 0.000 2.623 159 V HA 0.769 4.895 4.120 0.010 0.000 0.304 159 V C -0.071 175.940 176.094 -0.138 0.000 1.054 159 V CA -0.753 61.240 62.300 -0.511 0.000 0.882 159 V CB 1.785 33.139 31.823 -0.783 0.000 1.002 159 V HN 0.877 nan 8.190 nan 0.000 0.424 160 S N 3.932 119.635 115.700 0.005 0.000 2.532 160 S HA 0.733 5.209 4.470 0.010 0.000 0.301 160 S C -0.738 173.900 174.600 0.064 0.000 1.083 160 S CA -0.531 57.699 58.200 0.050 0.000 1.025 160 S CB 1.955 65.175 63.200 0.033 0.000 1.056 160 S HN 0.662 nan 8.310 nan 0.000 0.494 161 L N 4.613 125.825 121.223 -0.019 0.000 2.290 161 L HA 0.659 5.005 4.340 0.010 0.000 0.284 161 L C -0.732 176.051 176.870 -0.146 0.000 1.078 161 L CA -0.017 54.754 54.840 -0.115 0.000 0.815 161 L CB 0.020 41.832 42.059 -0.412 0.000 1.162 161 L HN 0.669 nan 8.230 nan 0.000 0.435 162 I N 2.103 122.608 120.570 -0.110 0.000 2.785 162 I HA 1.073 5.249 4.170 0.010 0.000 0.302 162 I C -0.030 175.919 176.117 -0.280 0.000 1.069 162 I CA -0.432 60.729 61.300 -0.231 0.000 1.045 162 I CB 2.048 39.969 38.000 -0.133 0.000 1.236 162 I HN 0.713 nan 8.210 nan 0.000 0.429 163 G N 2.647 111.012 108.800 -0.725 0.000 2.494 163 G HA2 0.114 4.080 3.960 0.010 0.000 0.308 163 G HA3 0.114 4.080 3.960 0.010 0.000 0.308 163 G C -0.113 173.889 174.900 -1.498 0.000 1.263 163 G CA -0.044 44.245 45.100 -1.352 0.000 0.840 163 G HN 0.731 nan 8.290 nan 0.000 0.479 164 E N -0.295 119.353 120.200 -0.920 0.000 2.118 164 E HA -0.160 4.196 4.350 0.010 0.000 0.195 164 E C 2.185 178.649 176.600 -0.227 0.000 0.992 164 E CA 2.165 58.329 56.400 -0.393 0.000 0.804 164 E CB -0.290 29.385 29.700 -0.041 0.000 0.741 164 E HN 0.535 nan 8.360 nan 0.000 0.458 165 F N -0.402 119.325 119.950 -0.371 0.000 2.365 165 F HA 0.022 4.556 4.527 0.011 0.000 0.300 165 F C 1.547 177.214 175.800 -0.222 0.000 1.090 165 F CA 0.912 58.768 58.000 -0.240 0.000 1.408 165 F CB -0.379 38.529 39.000 -0.153 0.000 1.060 165 F HN -0.095 nan 8.300 nan 0.000 0.534 166 N N -0.156 117.916 118.700 -1.047 0.000 2.205 166 N HA 0.188 4.934 4.740 0.010 0.000 0.201 166 N C 1.045 176.279 175.510 -0.459 0.000 1.128 166 N CA 0.287 52.823 53.050 -0.858 0.000 0.867 166 N CB 0.569 38.412 38.487 -1.074 0.000 0.996 166 N HN 0.445 nan 8.380 nan 0.000 0.503 167 G N 1.144 109.717 108.800 -0.379 0.000 2.176 167 G HA2 -0.266 3.700 3.960 0.010 0.000 0.252 167 G HA3 -0.266 3.700 3.960 0.010 0.000 0.252 167 G C -0.149 174.754 174.900 0.007 0.000 1.024 167 G CA 0.011 45.037 45.100 -0.124 0.000 0.755 167 G HN 0.528 nan 8.290 nan 0.000 0.507 168 W N -1.991 119.213 121.300 -0.160 0.000 4.973 168 W HA -0.215 4.452 4.660 0.012 0.000 0.350 168 W C 1.032 177.461 176.519 -0.151 0.000 1.280 168 W CA 1.054 58.316 57.345 -0.138 0.000 0.854 168 W CB -1.859 27.545 29.460 -0.095 0.000 2.367 168 W HN 0.688 nan 8.180 nan 0.000 1.511 169 N N -1.166 117.490 118.700 -0.075 0.000 2.127 169 N HA 0.222 4.968 4.740 0.010 0.000 0.229 169 N C 0.773 176.170 175.510 -0.188 0.000 1.374 169 N CA 0.371 53.367 53.050 -0.090 0.000 0.763 169 N CB 0.061 38.539 38.487 -0.015 0.000 1.269 169 N HN 0.115 nan 8.380 nan 0.000 0.516 170 G N -1.034 107.592 108.800 -0.290 0.000 2.667 170 G HA2 0.093 4.059 3.960 0.010 0.000 0.250 170 G HA3 0.093 4.059 3.960 0.010 0.000 0.250 170 G C 0.135 174.861 174.900 -0.290 0.000 1.212 170 G CA 0.046 44.966 45.100 -0.300 0.000 0.874 170 G HN 0.474 nan 8.290 nan 0.000 0.561 171 H N -0.520 118.485 119.070 -0.109 0.000 3.622 171 H HA 0.040 4.602 4.556 0.010 0.000 0.259 171 H C 1.278 176.693 175.328 0.145 0.000 1.145 171 H CA 0.415 56.494 56.048 0.052 0.000 1.178 171 H CB 0.979 30.818 29.762 0.127 0.000 1.542 171 H HN 0.648 nan 8.280 nan 0.000 0.586 172 E N 0.748 120.989 120.200 0.067 0.000 2.485 172 E HA 0.184 4.540 4.350 0.010 0.000 0.194 172 E C 0.706 177.501 176.600 0.326 0.000 1.098 172 E CA 0.272 56.765 56.400 0.154 0.000 0.878 172 E CB 0.190 29.917 29.700 0.045 0.000 0.939 172 E HN 0.221 nan 8.360 nan 0.000 0.503 173 A N 0.960 123.862 122.820 0.136 0.000 3.105 173 A HA 0.393 4.719 4.320 0.010 0.000 0.297 173 A C -2.684 174.988 177.584 0.147 0.000 0.977 173 A CA -1.393 50.627 52.037 -0.028 0.000 1.020 173 A CB 0.218 18.879 19.000 -0.564 0.000 1.098 173 A HN 0.010 nan 8.150 nan 0.000 0.497 174 P HA 0.387 nan 4.420 nan 0.000 0.275 174 P C -0.029 177.535 177.300 0.440 0.000 1.228 174 P CA 0.110 63.385 63.100 0.292 0.000 0.786 174 P CB 0.716 32.553 31.700 0.229 0.000 0.927 175 M N 1.930 121.761 119.600 0.386 0.000 2.573 175 M HA 0.503 4.989 4.480 0.010 0.000 0.309 175 M C 0.678 177.398 176.300 0.699 0.000 1.202 175 M CA -0.636 54.976 55.300 0.521 0.000 0.975 175 M CB 1.574 34.429 32.600 0.425 0.000 1.600 175 M HN 0.261 nan 8.290 nan 0.000 0.479 176 R N -0.065 120.802 120.500 0.611 0.000 2.664 176 R HA 0.762 5.108 4.340 0.010 0.000 0.286 176 R C -1.297 175.044 176.300 0.069 0.000 0.967 176 R CA -0.931 55.407 56.100 0.396 0.000 0.933 176 R CB 1.470 31.878 30.300 0.180 0.000 1.146 176 R HN 0.494 nan 8.270 nan 0.000 0.468 177 V N 4.100 123.711 119.914 -0.506 0.000 2.509 177 V HA 0.268 4.394 4.120 0.010 0.000 0.284 177 V C -0.151 175.737 176.094 -0.343 0.000 1.047 177 V CA -0.851 60.896 62.300 -0.922 0.000 0.952 177 V CB 1.147 32.059 31.823 -1.518 0.000 0.988 177 V HN 0.654 nan 8.190 nan 0.000 0.469 178 L N 8.416 129.500 121.223 -0.232 0.000 2.375 178 L HA 0.513 4.859 4.340 0.010 0.000 0.276 178 L C 1.164 177.993 176.870 -0.067 0.000 1.162 178 L CA 0.634 55.415 54.840 -0.098 0.000 0.991 178 L CB -0.399 41.634 42.059 -0.044 0.000 1.315 178 L HN 1.050 nan 8.230 nan 0.000 0.431 179 G N 4.484 113.251 108.800 -0.055 0.000 2.575 179 G HA2 -0.271 3.695 3.960 0.010 0.000 0.267 179 G HA3 -0.271 3.695 3.960 0.010 0.000 0.267 179 G C -1.997 172.875 174.900 -0.047 0.000 1.264 179 G CA -0.429 44.653 45.100 -0.030 0.000 0.935 179 G HN 0.544 nan 8.290 nan 0.000 0.568 180 P HA 0.153 nan 4.420 nan 0.000 0.253 180 P C 1.633 178.948 177.300 0.026 0.000 1.281 180 P CA 1.248 64.343 63.100 -0.010 0.000 0.792 180 P CB 0.028 31.729 31.700 0.001 0.000 1.193 181 S N -1.135 114.588 115.700 0.038 0.000 2.428 181 S HA 0.056 4.532 4.470 0.010 0.000 0.230 181 S C 1.911 176.637 174.600 0.211 0.000 1.014 181 S CA 0.963 59.232 58.200 0.116 0.000 0.957 181 S CB -1.348 61.926 63.200 0.123 0.000 0.784 181 S HN 0.268 nan 8.310 nan 0.000 0.499 182 G N 0.093 108.945 108.800 0.086 0.000 2.179 182 G HA2 -0.229 3.737 3.960 0.010 0.000 0.260 182 G HA3 -0.229 3.737 3.960 0.010 0.000 0.260 182 G C 0.036 175.040 174.900 0.173 0.000 0.977 182 G CA 0.110 45.267 45.100 0.095 0.000 0.641 182 G HN 0.779 nan 8.290 nan 0.000 0.533 183 V N 0.724 120.741 119.914 0.171 0.000 2.406 183 V HA 0.584 4.710 4.120 0.010 0.000 0.272 183 V C 0.268 176.360 176.094 -0.003 0.000 1.043 183 V CA -0.643 61.788 62.300 0.217 0.000 0.915 183 V CB 0.647 32.589 31.823 0.200 0.000 0.988 183 V HN 0.284 nan 8.190 nan 0.000 0.466 184 W N 3.248 124.611 121.300 0.104 0.000 2.376 184 W HA 0.614 5.279 4.660 0.009 0.000 0.322 184 W C 0.405 176.961 176.519 0.062 0.000 1.160 184 W CA -0.175 57.215 57.345 0.074 0.000 1.218 184 W CB 0.768 30.251 29.460 0.038 0.000 1.205 184 W HN 0.454 nan 8.180 nan 0.000 0.559 185 E N 2.320 122.689 120.200 0.281 0.000 2.393 185 E HA 0.709 5.065 4.350 0.010 0.000 0.273 185 E C -2.165 174.611 176.600 0.293 0.000 0.918 185 E CA -1.023 55.516 56.400 0.232 0.000 0.773 185 E CB 2.362 32.135 29.700 0.121 0.000 1.275 185 E HN 0.467 nan 8.360 nan 0.000 0.451 186 L N 2.936 124.360 121.223 0.335 0.000 2.781 186 L HA 0.447 4.793 4.340 0.010 0.000 0.256 186 L C -2.282 174.866 176.870 0.464 0.000 0.930 186 L CA -0.530 54.552 54.840 0.403 0.000 0.967 186 L CB 1.461 43.757 42.059 0.395 0.000 1.551 186 L HN 0.486 nan 8.230 nan 0.000 0.445 187 F N 5.210 125.295 119.950 0.226 0.000 2.427 187 F HA 0.510 5.041 4.527 0.008 0.000 0.348 187 F C -1.449 174.452 175.800 0.168 0.000 1.125 187 F CA -0.680 57.396 58.000 0.126 0.000 0.989 187 F CB 1.088 40.023 39.000 -0.107 0.000 1.165 187 F HN 0.591 nan 8.300 nan 0.000 0.442 188 W N 10.171 131.148 121.300 -0.539 0.000 2.282 188 W HA 0.335 5.003 4.660 0.013 0.000 0.322 188 W C -2.618 173.485 176.519 -0.693 0.000 1.011 188 W CA -2.432 54.630 57.345 -0.471 0.000 1.392 188 W CB 1.421 30.776 29.460 -0.177 0.000 1.215 188 W HN 0.449 nan 8.180 nan 0.000 0.394 189 P HA -0.133 nan 4.420 nan 0.000 0.262 189 P C -0.151 176.904 177.300 -0.409 0.000 1.182 189 P CA 1.411 64.071 63.100 -0.733 0.000 0.761 189 P CB 0.419 31.803 31.700 -0.527 0.000 0.795 190 D N -0.174 120.105 120.400 -0.201 0.000 2.911 190 D HA -0.239 4.407 4.640 0.010 0.000 0.227 190 D C -0.089 176.203 176.300 -0.013 0.000 1.164 190 D CA 0.781 54.743 54.000 -0.062 0.000 0.782 190 D CB -1.568 39.212 40.800 -0.033 0.000 1.094 190 D HN 0.337 nan 8.370 nan 0.000 0.425 191 F N 1.154 121.046 119.950 -0.097 0.000 2.471 191 F HA 0.298 4.831 4.527 0.011 0.000 0.353 191 F C -1.619 174.162 175.800 -0.031 0.000 1.113 191 F CA -1.564 56.411 58.000 -0.042 0.000 1.262 191 F CB 0.613 39.639 39.000 0.043 0.000 1.146 191 F HN -0.273 nan 8.300 nan 0.000 0.578 192 P HA -0.061 nan 4.420 nan 0.000 0.264 192 P C 0.301 177.634 177.300 0.055 0.000 1.183 192 P CA 0.134 63.104 63.100 -0.217 0.000 0.763 192 P CB 0.354 31.836 31.700 -0.363 0.000 0.807 193 C N 1.468 120.810 119.300 0.069 0.000 2.410 193 C HA -0.138 4.328 4.460 0.010 0.000 0.281 193 C C 1.162 176.238 174.990 0.143 0.000 1.318 193 C CA 1.533 60.619 59.018 0.112 0.000 1.776 193 C CB -1.649 26.137 27.740 0.076 0.000 1.942 193 C HN 0.734 nan 8.230 nan 0.000 0.508 194 D N -1.050 119.426 120.400 0.127 0.000 2.819 194 D HA 0.325 4.971 4.640 0.010 0.000 0.326 194 D C 0.317 176.723 176.300 0.177 0.000 1.408 194 D CA -0.163 53.934 54.000 0.161 0.000 0.811 194 D CB -0.472 40.401 40.800 0.121 0.000 1.148 194 D HN 0.257 nan 8.370 nan 0.000 0.457 195 G N 0.284 109.207 108.800 0.204 0.000 2.503 195 G HA2 0.496 4.462 3.960 0.010 0.000 0.257 195 G HA3 0.496 4.462 3.960 0.010 0.000 0.257 195 G C -0.002 175.158 174.900 0.434 0.000 1.214 195 G CA -0.692 44.504 45.100 0.160 0.000 0.839 195 G HN 0.261 nan 8.290 nan 0.000 0.559 196 L N 0.607 122.050 121.223 0.367 0.000 2.439 196 L HA 0.592 4.938 4.340 0.010 0.000 0.261 196 L C -0.018 177.206 176.870 0.590 0.000 1.153 196 L CA -0.600 54.529 54.840 0.482 0.000 0.808 196 L CB 1.059 43.441 42.059 0.538 0.000 1.126 196 L HN 0.778 nan 8.230 nan 0.000 0.460 197 Y N -0.469 120.075 120.300 0.407 0.000 2.741 197 Y HA 0.658 5.214 4.550 0.011 0.000 0.339 197 Y C -1.546 174.468 175.900 0.190 0.000 1.226 197 Y CA -1.423 56.777 58.100 0.168 0.000 1.072 197 Y CB 1.402 39.849 38.460 -0.022 0.000 1.331 197 Y HN 0.376 nan 8.280 nan 0.000 0.453 198 K N 0.715 121.157 120.400 0.070 0.000 2.555 198 K HA 0.582 4.908 4.320 0.010 0.000 0.279 198 K C -2.256 174.289 176.600 -0.091 0.000 0.986 198 K CA -0.899 55.352 56.287 -0.059 0.000 0.880 198 K CB 2.395 34.998 32.500 0.172 0.000 1.474 198 K HN 0.502 nan 8.250 nan 0.000 0.433 199 F N 1.630 121.679 119.950 0.164 0.000 2.402 199 F HA 0.379 4.912 4.527 0.010 0.000 0.355 199 F C 0.422 176.223 175.800 0.001 0.000 1.123 199 F CA -0.689 57.368 58.000 0.095 0.000 1.021 199 F CB 1.238 40.341 39.000 0.170 0.000 1.160 199 F HN 0.197 nan 8.300 nan 0.000 0.451 200 R N 3.492 124.075 120.500 0.139 0.000 2.242 200 R HA 0.518 4.864 4.340 0.010 0.000 0.334 200 R C -1.467 174.801 176.300 -0.053 0.000 1.071 200 R CA -0.156 55.943 56.100 -0.002 0.000 0.922 200 R CB 0.406 30.679 30.300 -0.045 0.000 1.023 200 R HN 0.487 nan 8.270 nan 0.000 0.458 201 V N 5.340 125.160 119.914 -0.158 0.000 2.394 201 V HA 0.179 4.305 4.120 0.010 0.000 0.282 201 V C -0.571 175.371 176.094 -0.254 0.000 1.031 201 V CA -0.806 61.361 62.300 -0.221 0.000 0.881 201 V CB 1.291 32.897 31.823 -0.361 0.000 0.982 201 V HN 0.776 nan 8.190 nan 0.000 0.451 202 H N 3.096 122.054 119.070 -0.187 0.000 2.741 202 H HA 0.503 5.065 4.556 0.010 0.000 0.282 202 H C 0.800 176.062 175.328 -0.109 0.000 1.122 202 H CA 0.324 56.304 56.048 -0.113 0.000 1.293 202 H CB 0.833 30.550 29.762 -0.076 0.000 1.415 202 H HN 0.840 nan 8.280 nan 0.000 0.472 203 G N 1.165 109.939 108.800 -0.042 0.000 2.664 203 G HA2 0.228 4.194 3.960 0.010 0.000 0.242 203 G HA3 0.228 4.194 3.960 0.010 0.000 0.242 203 G C 1.005 175.909 174.900 0.006 0.000 1.225 203 G CA -0.053 45.025 45.100 -0.037 0.000 0.849 203 G HN 0.746 nan 8.290 nan 0.000 0.581 204 A N 0.007 122.829 122.820 0.004 0.000 2.172 204 A HA 0.014 4.340 4.320 0.010 0.000 0.216 204 A C 1.666 179.254 177.584 0.006 0.000 1.154 204 A CA 1.770 53.815 52.037 0.014 0.000 0.701 204 A CB -0.112 18.892 19.000 0.007 0.000 0.789 204 A HN 0.643 nan 8.150 nan 0.000 0.465 205 D N -2.479 117.920 120.400 -0.002 0.000 2.368 205 D HA 0.278 4.924 4.640 0.010 0.000 0.218 205 D C 1.109 177.408 176.300 -0.001 0.000 1.112 205 D CA 0.602 54.599 54.000 -0.005 0.000 0.834 205 D CB -0.564 40.229 40.800 -0.011 0.000 0.953 205 D HN 0.591 nan 8.370 nan 0.000 0.505 206 G N -0.154 108.652 108.800 0.009 0.000 2.184 206 G HA2 -0.282 3.684 3.960 0.010 0.000 0.264 206 G HA3 -0.282 3.684 3.960 0.010 0.000 0.264 206 G C 0.197 175.098 174.900 0.003 0.000 0.975 206 G CA 0.387 45.498 45.100 0.019 0.000 0.642 206 G HN 0.395 nan 8.290 nan 0.000 0.536 207 V N 1.462 121.362 119.914 -0.022 0.000 2.432 207 V HA 0.502 4.628 4.120 0.010 0.000 0.275 207 V C 0.859 176.891 176.094 -0.103 0.000 1.043 207 V CA -0.628 61.642 62.300 -0.049 0.000 0.925 207 V CB 1.685 33.482 31.823 -0.044 0.000 0.985 207 V HN 0.250 nan 8.190 nan 0.000 0.466 208 V N 5.094 124.920 119.914 -0.147 0.000 2.465 208 V HA 0.590 4.716 4.120 0.010 0.000 0.279 208 V C 0.435 176.410 176.094 -0.198 0.000 1.045 208 V CA -0.151 61.981 62.300 -0.280 0.000 0.938 208 V CB 1.560 33.157 31.823 -0.377 0.000 0.986 208 V HN 1.067 nan 8.190 nan 0.000 0.467 209 T N 0.014 114.441 114.554 -0.211 0.000 2.912 209 T HA 0.481 4.837 4.350 0.010 0.000 0.299 209 T C -1.149 173.484 174.700 -0.112 0.000 1.052 209 T CA -0.924 61.095 62.100 -0.135 0.000 0.996 209 T CB 1.918 70.711 68.868 -0.124 0.000 1.070 209 T HN 0.451 nan 8.240 nan 0.000 0.465 210 D N 2.686 123.062 120.400 -0.041 0.000 2.347 210 D HA 0.366 5.013 4.640 0.010 0.000 0.235 210 D C 0.046 176.393 176.300 0.079 0.000 1.149 210 D CA -0.426 53.581 54.000 0.012 0.000 0.850 210 D CB 0.895 41.704 40.800 0.015 0.000 1.061 210 D HN 0.311 nan 8.370 nan 0.000 0.487 211 R N 1.038 121.605 120.500 0.112 0.000 2.532 211 R HA 0.685 5.031 4.340 0.010 0.000 0.295 211 R C -0.091 176.372 176.300 0.271 0.000 0.968 211 R CA -0.860 55.375 56.100 0.224 0.000 0.916 211 R CB 1.750 32.170 30.300 0.200 0.000 1.124 211 R HN 0.364 nan 8.270 nan 0.000 0.463 212 A N 1.421 124.442 122.820 0.335 0.000 2.366 212 A HA 0.071 4.398 4.320 0.010 0.000 0.249 212 A C -0.041 177.723 177.584 0.299 0.000 1.084 212 A CA -0.304 51.866 52.037 0.221 0.000 0.794 212 A CB 0.233 19.445 19.000 0.353 0.000 1.034 212 A HN 0.634 nan 8.150 nan 0.000 0.491 213 D N 0.855 121.352 120.400 0.161 0.000 2.343 213 D HA 0.264 4.910 4.640 0.010 0.000 0.255 213 D C -1.719 174.783 176.300 0.336 0.000 1.187 213 D CA -1.754 52.477 54.000 0.385 0.000 0.875 213 D CB 1.109 42.113 40.800 0.340 0.000 1.136 213 D HN 0.076 nan 8.370 nan 0.000 0.469 214 P HA -0.071 nan 4.420 nan 0.000 0.219 214 P C 0.476 177.948 177.300 0.287 0.000 1.146 214 P CA 0.953 64.188 63.100 0.225 0.000 0.808 214 P CB 0.046 31.774 31.700 0.047 0.000 0.779 215 F N -1.197 118.841 119.950 0.148 0.000 2.730 215 F HA 0.363 4.896 4.527 0.010 0.000 0.295 215 F C 0.975 176.435 175.800 -0.568 0.000 1.143 215 F CA -0.747 57.123 58.000 -0.216 0.000 1.367 215 F CB -0.398 38.397 39.000 -0.343 0.000 0.970 215 F HN -0.228 nan 8.300 nan 0.000 0.514 216 A N -0.069 122.712 122.820 -0.066 0.000 2.548 216 A HA 0.115 4.441 4.320 0.010 0.000 0.247 216 A C 0.336 177.861 177.584 -0.099 0.000 1.067 216 A CA 0.272 52.259 52.037 -0.083 0.000 0.757 216 A CB -0.123 18.913 19.000 0.061 0.000 0.996 216 A HN 0.404 nan 8.150 nan 0.000 0.504 217 F N 1.699 121.794 119.950 0.241 0.000 2.731 217 F HA 0.353 4.886 4.527 0.009 0.000 0.298 217 F C 1.441 177.380 175.800 0.231 0.000 1.106 217 F CA 0.242 58.388 58.000 0.244 0.000 1.329 217 F CB -0.033 39.100 39.000 0.222 0.000 1.100 217 F HN 0.659 nan 8.300 nan 0.000 0.592 218 G N -0.637 108.352 108.800 0.316 0.000 2.690 218 G HA2 0.562 4.528 3.960 0.010 0.000 0.293 218 G HA3 0.562 4.528 3.960 0.010 0.000 0.293 218 G C -1.182 173.813 174.900 0.157 0.000 1.399 218 G CA -0.499 44.746 45.100 0.242 0.000 0.890 218 G HN 0.024 nan 8.290 nan 0.000 0.485 219 T N -2.214 112.407 114.554 0.111 0.000 2.843 219 T HA 0.659 5.015 4.350 0.010 0.000 0.302 219 T C -0.730 173.977 174.700 0.011 0.000 1.232 219 T CA -0.749 61.377 62.100 0.044 0.000 1.009 219 T CB 2.370 71.257 68.868 0.032 0.000 1.254 219 T HN 0.534 nan 8.240 nan 0.000 0.504 220 E N 0.416 120.591 120.200 -0.043 0.000 2.373 220 E HA 0.470 4.827 4.350 0.010 0.000 0.263 220 E C -0.347 176.194 176.600 -0.099 0.000 1.073 220 E CA -0.753 55.605 56.400 -0.069 0.000 0.894 220 E CB 0.977 30.600 29.700 -0.128 0.000 1.008 220 E HN 0.526 nan 8.360 nan 0.000 0.420 221 V N 5.263 125.118 119.914 -0.099 0.000 2.572 221 V HA 0.089 4.215 4.120 0.010 0.000 0.291 221 V C -2.059 173.944 176.094 -0.152 0.000 1.039 221 V CA -1.275 60.949 62.300 -0.127 0.000 1.055 221 V CB 0.574 32.330 31.823 -0.113 0.000 0.969 221 V HN 0.720 nan 8.190 nan 0.000 0.482 222 P HA 0.118 nan 4.420 nan 0.000 0.268 222 P C -1.987 175.235 177.300 -0.129 0.000 1.208 222 P CA -0.827 62.180 63.100 -0.155 0.000 0.777 222 P CB -0.036 31.581 31.700 -0.138 0.000 0.875 223 P HA -0.040 nan 4.420 nan 0.000 0.237 223 P C 0.124 177.271 177.300 -0.255 0.000 1.178 223 P CA 0.782 63.791 63.100 -0.151 0.000 0.766 223 P CB 0.005 31.634 31.700 -0.117 0.000 0.876 224 Q N -0.049 119.599 119.800 -0.253 0.000 2.479 224 Q HA 0.069 4.415 4.340 0.010 0.000 0.267 224 Q C 1.172 176.908 176.000 -0.440 0.000 1.071 224 Q CA 1.120 56.726 55.803 -0.329 0.000 0.935 224 Q CB -0.053 28.529 28.738 -0.260 0.000 1.295 224 Q HN 0.198 nan 8.270 nan 0.000 0.476 225 T N -3.749 110.465 114.554 -0.567 0.000 3.111 225 T HA 0.531 4.887 4.350 0.010 0.000 0.284 225 T C 0.391 174.820 174.700 -0.452 0.000 0.983 225 T CA 0.037 61.693 62.100 -0.741 0.000 0.900 225 T CB 0.414 68.439 68.868 -1.405 0.000 1.132 225 T HN 0.543 nan 8.240 nan 0.000 0.531 226 A N 1.413 124.016 122.820 -0.361 0.000 2.332 226 A HA 0.739 5.065 4.320 0.010 0.000 0.258 226 A C 0.414 177.892 177.584 -0.177 0.000 1.087 226 A CA -0.472 51.419 52.037 -0.244 0.000 0.802 226 A CB 0.478 19.351 19.000 -0.211 0.000 1.042 226 A HN 0.401 nan 8.150 nan 0.000 0.489 227 S N -0.167 115.359 115.700 -0.291 0.000 2.672 227 S HA 0.623 5.099 4.470 0.010 0.000 0.276 227 S C 0.107 174.602 174.600 -0.174 0.000 1.207 227 S CA -0.624 57.380 58.200 -0.326 0.000 1.002 227 S CB 0.977 63.773 63.200 -0.674 0.000 0.998 227 S HN 0.681 nan 8.310 nan 0.000 0.542 228 R N 1.220 121.781 120.500 0.102 0.000 2.532 228 R HA 0.444 4.790 4.340 0.010 0.000 0.297 228 R C -1.507 175.057 176.300 0.441 0.000 0.984 228 R CA -0.515 55.773 56.100 0.314 0.000 0.884 228 R CB 1.000 31.429 30.300 0.214 0.000 1.182 228 R HN 0.489 nan 8.270 nan 0.000 0.442 229 V N 3.702 123.933 119.914 0.529 0.000 2.617 229 V HA 0.095 4.221 4.120 0.010 0.000 0.304 229 V C -0.044 176.217 176.094 0.278 0.000 1.040 229 V CA 0.755 63.268 62.300 0.356 0.000 1.149 229 V CB 1.105 33.090 31.823 0.269 0.000 0.914 229 V HN 0.806 nan 8.190 nan 0.000 0.487 230 T N 3.784 118.503 114.554 0.276 0.000 3.011 230 T HA 0.485 4.841 4.350 0.010 0.000 0.303 230 T C -0.456 174.361 174.700 0.195 0.000 0.997 230 T CA -0.610 61.636 62.100 0.243 0.000 1.007 230 T CB 1.494 70.538 68.868 0.294 0.000 1.017 230 T HN 0.846 nan 8.240 nan 0.000 0.443 231 S N 1.568 117.344 115.700 0.127 0.000 2.532 231 S HA 0.796 5.272 4.470 0.010 0.000 0.299 231 S C -0.397 174.236 174.600 0.056 0.000 1.105 231 S CA -0.821 57.427 58.200 0.080 0.000 1.018 231 S CB 1.952 65.199 63.200 0.079 0.000 1.021 231 S HN 0.523 nan 8.310 nan 0.000 0.483 232 S N 0.974 116.686 115.700 0.021 0.000 2.549 232 S HA 0.601 5.077 4.470 0.010 0.000 0.297 232 S C -0.594 174.016 174.600 0.017 0.000 1.115 232 S CA -0.548 57.656 58.200 0.006 0.000 1.059 232 S CB 0.911 64.076 63.200 -0.058 0.000 1.046 232 S HN 0.885 nan 8.310 nan 0.000 0.506 233 D N 2.053 122.469 120.400 0.026 0.000 2.602 233 D HA -0.001 4.645 4.640 0.010 0.000 0.265 233 D C -0.227 176.077 176.300 0.006 0.000 1.454 233 D CA -0.352 53.661 54.000 0.022 0.000 0.795 233 D CB -0.836 39.971 40.800 0.011 0.000 1.140 233 D HN 0.501 nan 8.370 nan 0.000 0.486 234 Y N 2.298 122.508 120.300 -0.150 0.000 2.904 234 Y HA 0.146 4.701 4.550 0.010 0.000 0.336 234 Y C -0.017 175.739 175.900 -0.240 0.000 1.263 234 Y CA 0.882 58.821 58.100 -0.268 0.000 1.547 234 Y CB 0.630 38.797 38.460 -0.488 0.000 1.272 234 Y HN -0.179 nan 8.280 nan 0.000 0.596 235 T N 7.188 121.219 114.554 -0.871 0.000 2.770 235 T HA 0.157 4.513 4.350 0.010 0.000 0.297 235 T C -0.906 173.377 174.700 -0.695 0.000 0.997 235 T CA -0.370 61.416 62.100 -0.523 0.000 0.949 235 T CB -0.199 68.476 68.868 -0.323 0.000 0.941 235 T HN 0.526 nan 8.240 nan 0.000 0.457 236 W N 1.559 122.711 121.300 -0.246 0.000 2.202 236 W HA 0.488 5.155 4.660 0.011 0.000 0.332 236 W C 1.225 177.739 176.519 -0.009 0.000 1.263 236 W CA -0.464 56.863 57.345 -0.031 0.000 1.223 236 W CB 0.576 30.119 29.460 0.140 0.000 1.128 236 W HN 0.775 nan 8.180 nan 0.000 0.573 237 G N 1.004 109.978 108.800 0.291 0.000 3.575 237 G HA2 -0.022 3.944 3.960 0.010 0.000 0.273 237 G HA3 -0.022 3.944 3.960 0.010 0.000 0.273 237 G C 0.039 175.086 174.900 0.244 0.000 1.053 237 G CA -0.234 44.980 45.100 0.189 0.000 0.803 237 G HN 0.549 nan 8.290 nan 0.000 0.528 238 D N -0.377 120.242 120.400 0.364 0.000 2.615 238 D HA 0.089 4.735 4.640 0.010 0.000 0.236 238 D C 0.359 176.811 176.300 0.254 0.000 1.233 238 D CA -0.467 53.741 54.000 0.348 0.000 0.829 238 D CB 0.380 41.481 40.800 0.502 0.000 1.024 238 D HN -0.041 nan 8.370 nan 0.000 0.490 239 D N 1.196 121.704 120.400 0.180 0.000 2.123 239 D HA -0.164 4.482 4.640 0.010 0.000 0.196 239 D C 1.241 177.573 176.300 0.053 0.000 0.992 239 D CA 1.050 55.105 54.000 0.092 0.000 0.833 239 D CB 0.154 40.997 40.800 0.071 0.000 0.954 239 D HN 0.291 nan 8.370 nan 0.000 0.455 240 D N -0.133 120.315 120.400 0.079 0.000 2.097 240 D HA -0.154 4.492 4.640 0.010 0.000 0.195 240 D C 1.949 178.261 176.300 0.020 0.000 0.989 240 D CA 0.470 54.496 54.000 0.043 0.000 0.827 240 D CB -0.456 40.383 40.800 0.065 0.000 0.966 240 D HN 0.392 nan 8.370 nan 0.000 0.456 241 W N 1.379 122.636 121.300 -0.073 0.000 2.335 241 W HA -0.187 4.479 4.660 0.010 0.000 0.311 241 W C 1.734 178.126 176.519 -0.211 0.000 1.213 241 W CA 0.899 58.153 57.345 -0.152 0.000 1.274 241 W CB -0.183 29.145 29.460 -0.219 0.000 1.148 241 W HN -0.080 nan 8.180 nan 0.000 0.498 242 M N 1.040 120.583 119.600 -0.095 0.000 2.159 242 M HA -0.153 4.333 4.480 0.010 0.000 0.263 242 M C 2.393 178.536 176.300 -0.261 0.000 1.063 242 M CA 1.920 57.085 55.300 -0.225 0.000 1.110 242 M CB -2.040 30.431 32.600 -0.215 0.000 1.374 242 M HN 0.113 nan 8.290 nan 0.000 0.411 243 A N -0.023 122.683 122.820 -0.190 0.000 1.968 243 A HA 0.100 4.426 4.320 0.010 0.000 0.217 243 A C 2.434 179.892 177.584 -0.208 0.000 1.169 243 A CA 1.670 53.609 52.037 -0.163 0.000 0.638 243 A CB -1.218 17.720 19.000 -0.102 0.000 0.812 243 A HN 0.505 nan 8.150 nan 0.000 0.446 244 G N -0.597 108.034 108.800 -0.281 0.000 2.403 244 G HA2 -0.197 3.769 3.960 0.010 0.000 0.216 244 G HA3 -0.197 3.769 3.960 0.010 0.000 0.216 244 G C 1.697 176.358 174.900 -0.398 0.000 1.154 244 G CA 0.839 45.749 45.100 -0.317 0.000 0.784 244 G HN 0.527 nan 8.290 nan 0.000 0.538 245 R N 0.615 120.770 120.500 -0.575 0.000 2.105 245 R HA -0.035 4.311 4.340 0.010 0.000 0.239 245 R C 2.687 178.820 176.300 -0.278 0.000 1.135 245 R CA 1.444 57.230 56.100 -0.524 0.000 0.967 245 R CB -0.342 29.598 30.300 -0.600 0.000 0.861 245 R HN 0.281 nan 8.270 nan 0.000 0.442 246 A N 0.431 123.115 122.820 -0.228 0.000 2.121 246 A HA -0.027 4.299 4.320 0.010 0.000 0.218 246 A C 1.733 179.248 177.584 -0.115 0.000 1.154 246 A CA 0.810 52.761 52.037 -0.143 0.000 0.679 246 A CB -0.103 18.822 19.000 -0.126 0.000 0.795 246 A HN 0.349 nan 8.150 nan 0.000 0.458 247 L N -1.081 120.061 121.223 -0.135 0.000 2.700 247 L HA 0.238 4.584 4.340 0.010 0.000 0.234 247 L C 0.655 177.469 176.870 -0.094 0.000 1.156 247 L CA -0.173 54.606 54.840 -0.101 0.000 0.946 247 L CB -0.057 41.943 42.059 -0.099 0.000 1.216 247 L HN 0.204 nan 8.230 nan 0.000 0.493 248 R N 0.145 120.580 120.500 -0.109 0.000 2.892 248 R HA 0.388 4.734 4.340 0.010 0.000 0.265 248 R C -0.672 175.598 176.300 -0.050 0.000 1.025 248 R CA -0.847 55.202 56.100 -0.086 0.000 0.982 248 R CB 1.521 31.745 30.300 -0.127 0.000 1.185 248 R HN -0.187 nan 8.270 nan 0.000 0.484 249 N N 1.529 120.214 118.700 -0.025 0.000 2.626 249 N HA 0.241 4.987 4.740 0.010 0.000 0.249 249 N C -2.259 173.259 175.510 0.013 0.000 1.021 249 N CA -2.323 50.726 53.050 -0.001 0.000 0.886 249 N CB 1.557 40.046 38.487 0.003 0.000 1.149 249 N HN 0.175 nan 8.380 nan 0.000 0.517 250 P HA -0.191 nan 4.420 nan 0.000 0.218 250 P C 1.338 178.659 177.300 0.035 0.000 1.152 250 P CA 0.886 64.005 63.100 0.032 0.000 0.857 250 P CB 0.500 32.232 31.700 0.053 0.000 0.787 251 V N -0.638 119.302 119.914 0.043 0.000 2.469 251 V HA -0.244 3.882 4.120 0.010 0.000 0.251 251 V C 1.404 177.549 176.094 0.084 0.000 1.064 251 V CA 2.075 64.408 62.300 0.055 0.000 1.066 251 V CB -1.269 30.578 31.823 0.039 0.000 0.667 251 V HN 0.260 nan 8.190 nan 0.000 0.461 252 N N -1.041 117.711 118.700 0.088 0.000 2.230 252 N HA 0.087 4.833 4.740 0.010 0.000 0.202 252 N C 0.214 175.858 175.510 0.223 0.000 1.119 252 N CA -0.149 52.988 53.050 0.146 0.000 0.851 252 N CB 0.512 39.066 38.487 0.111 0.000 0.990 252 N HN 0.434 nan 8.380 nan 0.000 0.497 253 E N 0.593 120.848 120.200 0.092 0.000 2.281 253 E HA 0.475 4.831 4.350 0.010 0.000 0.257 253 E C -0.421 175.999 176.600 -0.299 0.000 0.971 253 E CA -0.902 55.408 56.400 -0.150 0.000 0.839 253 E CB 1.187 30.778 29.700 -0.181 0.000 1.238 253 E HN 0.027 nan 8.360 nan 0.000 0.412 254 A N 1.150 123.378 122.820 -0.986 0.000 2.477 254 A HA 0.355 4.681 4.320 0.010 0.000 0.246 254 A C 0.015 177.571 177.584 -0.048 0.000 1.078 254 A CA 0.311 51.866 52.037 -0.803 0.000 0.770 254 A CB -0.076 18.151 19.000 -1.289 0.000 1.011 254 A HN 0.566 nan 8.150 nan 0.000 0.494 255 M N 3.458 123.197 119.600 0.232 0.000 2.197 255 M HA 0.284 4.770 4.480 0.010 0.000 0.226 255 M C -0.830 175.511 176.300 0.068 0.000 0.970 255 M CA 0.115 55.497 55.300 0.137 0.000 1.036 255 M CB 1.138 33.677 32.600 -0.103 0.000 2.437 255 M HN 0.610 nan 8.290 nan 0.000 0.432 256 S N 2.575 118.376 115.700 0.167 0.000 2.498 256 S HA 0.664 5.140 4.470 0.010 0.000 0.324 256 S C -0.600 174.217 174.600 0.362 0.000 1.071 256 S CA -0.226 57.974 58.200 0.001 0.000 1.113 256 S CB 0.980 64.177 63.200 -0.005 0.000 0.976 256 S HN 0.664 nan 8.310 nan 0.000 0.462 257 T N 4.993 119.673 114.554 0.210 0.000 2.794 257 T HA 0.315 4.671 4.350 0.010 0.000 0.280 257 T C -1.154 173.543 174.700 -0.004 0.000 0.987 257 T CA -0.299 61.905 62.100 0.174 0.000 0.993 257 T CB 0.686 69.588 68.868 0.057 0.000 0.939 257 T HN 0.566 nan 8.240 nan 0.000 0.449 258 Y N 2.966 123.013 120.300 -0.421 0.000 2.434 258 Y HA 0.329 4.885 4.550 0.010 0.000 0.341 258 Y C 0.409 176.118 175.900 -0.319 0.000 0.965 258 Y CA -1.568 56.084 58.100 -0.747 0.000 1.205 258 Y CB 0.441 38.281 38.460 -1.034 0.000 1.121 258 Y HN 0.683 nan 8.280 nan 0.000 0.507 259 E N 5.075 125.041 120.200 -0.391 0.000 2.259 259 E HA 0.476 4.832 4.350 0.010 0.000 0.281 259 E C -1.475 174.802 176.600 -0.538 0.000 1.037 259 E CA -0.289 55.966 56.400 -0.241 0.000 0.854 259 E CB 0.675 30.424 29.700 0.082 0.000 1.051 259 E HN 0.488 nan 8.360 nan 0.000 0.409 260 V N 4.868 124.533 119.914 -0.415 0.000 2.709 260 V HA 0.150 4.276 4.120 0.010 0.000 0.308 260 V C -0.421 175.542 176.094 -0.220 0.000 1.062 260 V CA -0.878 61.132 62.300 -0.484 0.000 0.901 260 V CB 1.757 33.244 31.823 -0.560 0.000 1.003 260 V HN 0.703 nan 8.190 nan 0.000 0.425 261 H N 4.920 123.838 119.070 -0.253 0.000 2.641 261 H HA 0.375 4.938 4.556 0.010 0.000 0.295 261 H C 0.607 175.925 175.328 -0.016 0.000 1.070 261 H CA -0.462 55.537 56.048 -0.082 0.000 1.257 261 H CB 1.356 31.136 29.762 0.029 0.000 1.393 261 H HN 0.670 nan 8.280 nan 0.000 0.464 262 L N 3.516 124.514 121.223 -0.376 0.000 2.081 262 L HA -0.166 4.180 4.340 0.010 0.000 0.212 262 L C 2.480 179.053 176.870 -0.496 0.000 1.080 262 L CA 1.597 56.191 54.840 -0.410 0.000 0.754 262 L CB -0.399 41.389 42.059 -0.452 0.000 0.893 262 L HN 0.689 nan 8.230 nan 0.000 0.433 263 G N -1.042 107.511 108.800 -0.412 0.000 2.484 263 G HA2 -0.175 3.791 3.960 0.010 0.000 0.218 263 G HA3 -0.175 3.791 3.960 0.010 0.000 0.218 263 G C 1.511 176.594 174.900 0.305 0.000 1.130 263 G CA 0.893 46.052 45.100 0.098 0.000 0.784 263 G HN 0.518 nan 8.290 nan 0.000 0.543 264 S N -2.204 113.808 115.700 0.520 0.000 2.666 264 S HA 0.064 4.540 4.470 0.010 0.000 0.239 264 S C 1.433 176.289 174.600 0.426 0.000 1.031 264 S CA -0.039 58.471 58.200 0.515 0.000 1.015 264 S CB -0.210 63.397 63.200 0.677 0.000 0.981 264 S HN 0.415 nan 8.310 nan 0.000 0.547 265 W N 3.144 124.535 121.300 0.151 0.000 2.332 265 W HA 0.170 4.836 4.660 0.010 0.000 0.321 265 W C 0.637 177.335 176.519 0.298 0.000 1.219 265 W CA 1.042 58.461 57.345 0.123 0.000 1.277 265 W CB 0.064 29.530 29.460 0.010 0.000 1.161 265 W HN 0.145 nan 8.180 nan 0.000 0.476 266 R N -0.129 120.459 120.500 0.148 0.000 2.680 266 R HA 0.224 4.570 4.340 0.010 0.000 0.278 266 R C -2.585 173.737 176.300 0.038 0.000 1.582 266 R CA -1.941 54.111 56.100 -0.080 0.000 1.177 266 R CB 1.286 31.327 30.300 -0.431 0.000 1.232 266 R HN -0.219 nan 8.270 nan 0.000 0.528 267 P HA -0.079 nan 4.420 nan 0.000 0.261 267 P C 0.816 178.158 177.300 0.069 0.000 1.173 267 P CA 1.316 64.481 63.100 0.108 0.000 0.760 267 P CB 0.663 32.434 31.700 0.119 0.000 0.783 268 G N 1.771 110.629 108.800 0.097 0.000 2.195 268 G HA2 -0.225 3.741 3.960 0.010 0.000 0.246 268 G HA3 -0.225 3.741 3.960 0.010 0.000 0.246 268 G C 0.005 174.943 174.900 0.062 0.000 0.984 268 G CA -0.406 44.742 45.100 0.080 0.000 0.633 268 G HN 0.463 nan 8.290 nan 0.000 0.525 269 L N 2.200 123.441 121.223 0.031 0.000 2.380 269 L HA 0.517 4.863 4.340 0.010 0.000 0.273 269 L C 1.383 178.247 176.870 -0.010 0.000 1.138 269 L CA 0.136 54.983 54.840 0.010 0.000 0.832 269 L CB 1.248 43.319 42.059 0.019 0.000 1.124 269 L HN 0.462 nan 8.230 nan 0.000 0.454 270 S N 1.252 116.968 115.700 0.028 0.000 2.707 270 S HA 0.241 4.717 4.470 0.010 0.000 0.276 270 S C 0.991 175.612 174.600 0.035 0.000 1.179 270 S CA -0.585 57.641 58.200 0.043 0.000 0.992 270 S CB 0.558 63.812 63.200 0.090 0.000 1.030 270 S HN 0.494 nan 8.310 nan 0.000 0.554 271 Y N 0.600 120.993 120.300 0.154 0.000 2.165 271 Y HA -0.134 4.421 4.550 0.010 0.000 0.286 271 Y C 2.961 178.893 175.900 0.053 0.000 1.155 271 Y CA 1.228 59.397 58.100 0.115 0.000 1.164 271 Y CB -0.142 38.430 38.460 0.188 0.000 0.978 271 Y HN 0.478 nan 8.280 nan 0.000 0.513 272 R N 0.437 121.070 120.500 0.221 0.000 2.096 272 R HA -0.160 4.186 4.340 0.010 0.000 0.235 272 R C 1.976 178.328 176.300 0.085 0.000 1.127 272 R CA 1.338 57.511 56.100 0.122 0.000 0.968 272 R CB -0.611 29.751 30.300 0.103 0.000 0.861 272 R HN 0.559 nan 8.270 nan 0.000 0.440 273 Q N 0.173 120.023 119.800 0.083 0.000 2.123 273 Q HA 0.013 4.360 4.340 0.010 0.000 0.199 273 Q C 2.278 178.322 176.000 0.074 0.000 0.966 273 Q CA 0.807 56.648 55.803 0.064 0.000 0.845 273 Q CB -0.018 28.751 28.738 0.051 0.000 0.907 273 Q HN 0.253 nan 8.270 nan 0.000 0.439 274 L N 0.232 121.501 121.223 0.077 0.000 2.141 274 L HA -0.136 4.210 4.340 0.010 0.000 0.209 274 L C 2.395 179.285 176.870 0.033 0.000 1.094 274 L CA 0.756 55.636 54.840 0.066 0.000 0.763 274 L CB -0.466 41.609 42.059 0.027 0.000 0.908 274 L HN 0.200 nan 8.230 nan 0.000 0.437 275 A N -0.481 122.363 122.820 0.039 0.000 2.070 275 A HA -0.159 4.168 4.320 0.010 0.000 0.220 275 A C 2.375 179.966 177.584 0.012 0.000 1.159 275 A CA 1.315 53.355 52.037 0.004 0.000 0.656 275 A CB -0.256 18.747 19.000 0.004 0.000 0.800 275 A HN 0.266 nan 8.150 nan 0.000 0.453 276 R N -0.800 119.723 120.500 0.038 0.000 2.056 276 R HA 0.085 4.431 4.340 0.010 0.000 0.215 276 R C 1.973 178.319 176.300 0.076 0.000 1.205 276 R CA 1.055 57.183 56.100 0.046 0.000 1.020 276 R CB -0.784 29.543 30.300 0.045 0.000 0.911 276 R HN 0.651 nan 8.270 nan 0.000 0.451 277 E N 1.097 121.364 120.200 0.112 0.000 2.051 277 E HA -0.189 4.167 4.350 0.010 0.000 0.192 277 E C 1.962 178.741 176.600 0.299 0.000 0.991 277 E CA 1.099 57.622 56.400 0.206 0.000 0.799 277 E CB -0.139 29.702 29.700 0.235 0.000 0.748 277 E HN -0.028 nan 8.360 nan 0.000 0.449 278 L N 1.027 122.316 121.223 0.109 0.000 2.056 278 L HA -0.119 4.227 4.340 0.010 0.000 0.207 278 L C 2.218 179.065 176.870 -0.039 0.000 1.078 278 L CA 1.854 56.551 54.840 -0.240 0.000 0.749 278 L CB -0.685 41.079 42.059 -0.492 0.000 0.901 278 L HN 0.029 nan 8.230 nan 0.000 0.433 279 T N -0.410 114.138 114.554 -0.009 0.000 2.652 279 T HA -0.174 4.182 4.350 0.010 0.000 0.267 279 T C 1.492 176.222 174.700 0.050 0.000 1.039 279 T CA 1.678 63.778 62.100 0.000 0.000 1.153 279 T CB -0.394 68.468 68.868 -0.011 0.000 0.863 279 T HN 0.347 nan 8.240 nan 0.000 0.428 280 D N -0.129 120.323 120.400 0.087 0.000 2.144 280 D HA -0.064 4.582 4.640 0.010 0.000 0.199 280 D C 1.686 178.068 176.300 0.137 0.000 0.984 280 D CA 0.817 54.876 54.000 0.097 0.000 0.834 280 D CB -0.405 40.458 40.800 0.104 0.000 0.955 280 D HN 0.410 nan 8.370 nan 0.000 0.465 281 Y N 1.209 121.577 120.300 0.114 0.000 2.114 281 Y HA -0.139 4.418 4.550 0.010 0.000 0.284 281 Y C 2.185 178.140 175.900 0.092 0.000 1.143 281 Y CA 1.279 59.482 58.100 0.172 0.000 1.135 281 Y CB -0.357 38.348 38.460 0.410 0.000 0.980 281 Y HN -0.085 nan 8.280 nan 0.000 0.499 282 I N -1.219 119.399 120.570 0.080 0.000 2.226 282 I HA -0.315 3.861 4.170 0.010 0.000 0.245 282 I C 2.240 178.363 176.117 0.010 0.000 1.100 282 I CA 1.234 62.544 61.300 0.017 0.000 1.374 282 I CB -0.611 37.431 38.000 0.069 0.000 1.057 282 I HN 0.086 nan 8.210 nan 0.000 0.413 283 V N 0.877 120.795 119.914 0.007 0.000 2.295 283 V HA -0.296 3.830 4.120 0.010 0.000 0.246 283 V C 1.982 178.057 176.094 -0.032 0.000 1.049 283 V CA 2.057 64.359 62.300 0.003 0.000 1.024 283 V CB -0.632 31.199 31.823 0.013 0.000 0.648 283 V HN 0.414 nan 8.190 nan 0.000 0.447 284 D N -0.807 119.552 120.400 -0.070 0.000 2.264 284 D HA -0.121 4.525 4.640 0.010 0.000 0.208 284 D C 2.168 178.371 176.300 -0.162 0.000 0.966 284 D CA 0.753 54.694 54.000 -0.098 0.000 0.864 284 D CB -0.083 40.664 40.800 -0.088 0.000 0.933 284 D HN 0.342 nan 8.370 nan 0.000 0.499 285 Q N -0.642 119.013 119.800 -0.240 0.000 2.424 285 Q HA 0.217 4.563 4.340 0.010 0.000 0.204 285 Q C 1.313 177.155 176.000 -0.262 0.000 0.933 285 Q CA 0.631 56.281 55.803 -0.256 0.000 0.929 285 Q CB 0.359 28.923 28.738 -0.291 0.000 1.037 285 Q HN 0.306 nan 8.270 nan 0.000 0.511 286 G N -0.529 108.181 108.800 -0.150 0.000 2.141 286 G HA2 -0.260 3.706 3.960 0.010 0.000 0.242 286 G HA3 -0.260 3.706 3.960 0.010 0.000 0.242 286 G C -0.211 174.622 174.900 -0.111 0.000 0.982 286 G CA -0.172 44.857 45.100 -0.119 0.000 0.662 286 G HN 0.232 nan 8.290 nan 0.000 0.527 287 F N 1.013 120.998 119.950 0.058 0.000 2.429 287 F HA 0.446 4.979 4.527 0.010 0.000 0.348 287 F C 2.086 177.951 175.800 0.108 0.000 1.109 287 F CA 0.714 58.788 58.000 0.123 0.000 1.232 287 F CB 1.295 40.362 39.000 0.111 0.000 1.157 287 F HN 0.100 nan 8.300 nan 0.000 0.564 288 T N -2.048 112.712 114.554 0.343 0.000 3.054 288 T HA 0.127 4.483 4.350 0.010 0.000 0.259 288 T C 0.141 174.820 174.700 -0.035 0.000 1.092 288 T CA 0.699 62.903 62.100 0.172 0.000 1.121 288 T CB -0.347 68.671 68.868 0.250 0.000 0.912 288 T HN 0.532 nan 8.240 nan 0.000 0.489 289 H N -0.875 118.327 119.070 0.219 0.000 2.928 289 H HA 0.749 5.311 4.556 0.010 0.000 0.371 289 H C -1.466 173.936 175.328 0.123 0.000 1.186 289 H CA -0.827 55.315 56.048 0.155 0.000 1.134 289 H CB 2.144 31.994 29.762 0.146 0.000 1.824 289 H HN 0.115 nan 8.280 nan 0.000 0.554 290 V N 0.927 120.953 119.914 0.186 0.000 2.540 290 V HA 0.378 4.504 4.120 0.010 0.000 0.302 290 V C -0.849 175.287 176.094 0.069 0.000 1.035 290 V CA -0.514 61.834 62.300 0.080 0.000 0.873 290 V CB 1.666 33.494 31.823 0.009 0.000 0.992 290 V HN 0.894 nan 8.190 nan 0.000 0.428 291 E N 5.915 126.128 120.200 0.022 0.000 2.145 291 E HA 0.541 4.897 4.350 0.010 0.000 0.270 291 E C -1.444 175.142 176.600 -0.023 0.000 0.906 291 E CA -0.623 55.803 56.400 0.044 0.000 0.761 291 E CB 1.418 31.182 29.700 0.107 0.000 1.116 291 E HN 0.740 nan 8.360 nan 0.000 0.408 292 L N 4.702 125.910 121.223 -0.025 0.000 2.307 292 L HA 0.348 4.694 4.340 0.010 0.000 0.282 292 L C -0.138 176.673 176.870 -0.098 0.000 1.051 292 L CA -1.044 53.752 54.840 -0.075 0.000 0.804 292 L CB 0.788 42.817 42.059 -0.050 0.000 1.197 292 L HN 0.507 nan 8.230 nan 0.000 0.431 293 L N 4.183 125.329 121.223 -0.129 0.000 2.473 293 L HA 0.176 4.522 4.340 0.010 0.000 0.268 293 L C -1.915 174.779 176.870 -0.293 0.000 1.215 293 L CA -0.874 53.846 54.840 -0.200 0.000 0.823 293 L CB -0.460 41.518 42.059 -0.134 0.000 1.099 293 L HN 0.376 nan 8.230 nan 0.000 0.483 294 P HA -0.145 nan 4.420 nan 0.000 0.255 294 P C 0.486 177.559 177.300 -0.379 0.000 1.141 294 P CA 0.566 63.370 63.100 -0.493 0.000 0.767 294 P CB 0.098 31.379 31.700 -0.699 0.000 0.726 295 V N 1.507 121.187 119.914 -0.391 0.000 3.471 295 V HA 0.300 4.426 4.120 0.010 0.000 0.258 295 V C 0.925 176.862 176.094 -0.262 0.000 1.192 295 V CA 0.672 62.776 62.300 -0.327 0.000 1.116 295 V CB -0.837 30.650 31.823 -0.561 0.000 0.792 295 V HN 0.461 nan 8.190 nan 0.000 0.459 296 A N 1.137 123.769 122.820 -0.312 0.000 2.425 296 A HA 0.383 4.709 4.320 0.010 0.000 0.242 296 A C 0.352 177.972 177.584 0.060 0.000 1.077 296 A CA 0.011 51.992 52.037 -0.094 0.000 0.781 296 A CB 0.056 18.966 19.000 -0.149 0.000 1.020 296 A HN 0.543 nan 8.150 nan 0.000 0.494 297 E N 1.561 121.810 120.200 0.080 0.000 2.529 297 E HA 0.125 4.481 4.350 0.010 0.000 0.259 297 E C -0.256 176.408 176.600 0.107 0.000 0.966 297 E CA 0.843 57.277 56.400 0.056 0.000 0.937 297 E CB 0.042 29.776 29.700 0.057 0.000 0.923 297 E HN 0.675 nan 8.360 nan 0.000 0.468 298 H N 3.758 122.823 119.070 -0.009 0.000 2.865 298 H HA 0.282 4.844 4.556 0.010 0.000 0.362 298 H C -2.458 172.926 175.328 0.093 0.000 1.114 298 H CA -2.240 53.822 56.048 0.023 0.000 1.208 298 H CB 1.560 31.308 29.762 -0.023 0.000 1.727 298 H HN 0.351 nan 8.280 nan 0.000 0.534 299 P HA -0.048 nan 4.420 nan 0.000 0.222 299 P C 0.090 177.543 177.300 0.255 0.000 1.153 299 P CA 0.608 63.835 63.100 0.212 0.000 0.798 299 P CB 0.434 32.378 31.700 0.406 0.000 0.796 300 F N 0.631 120.655 119.950 0.123 0.000 2.403 300 F HA 0.629 5.162 4.527 0.010 0.000 0.355 300 F C 1.181 177.113 175.800 0.220 0.000 1.119 300 F CA -1.838 56.232 58.000 0.117 0.000 1.007 300 F CB 1.029 40.074 39.000 0.074 0.000 1.194 300 F HN -0.132 nan 8.300 nan 0.000 0.443 301 A N 4.255 127.026 122.820 -0.082 0.000 2.024 301 A HA -0.030 4.296 4.320 0.010 0.000 0.220 301 A C 2.197 179.553 177.584 -0.381 0.000 1.164 301 A CA 1.698 53.712 52.037 -0.038 0.000 0.643 301 A CB -1.284 17.749 19.000 0.056 0.000 0.806 301 A HN 0.977 nan 8.150 nan 0.000 0.451 302 G N -0.229 107.709 108.800 -1.437 0.000 2.559 302 G HA2 -0.072 3.894 3.960 0.010 0.000 0.216 302 G HA3 -0.072 3.894 3.960 0.010 0.000 0.216 302 G C 1.630 175.943 174.900 -0.979 0.000 1.126 302 G CA 1.327 45.620 45.100 -1.345 0.000 0.778 302 G HN 0.854 nan 8.290 nan 0.000 0.543 303 S N -1.627 113.670 115.700 -0.672 0.000 2.562 303 S HA -0.001 4.475 4.470 0.010 0.000 0.221 303 S C 1.167 175.717 174.600 -0.083 0.000 0.975 303 S CA 0.558 58.586 58.200 -0.287 0.000 0.918 303 S CB -0.421 62.787 63.200 0.013 0.000 0.772 303 S HN 0.574 nan 8.310 nan 0.000 0.531 304 W N 0.360 121.644 121.300 -0.027 0.000 2.323 304 W HA -0.233 4.433 4.660 0.010 0.000 0.261 304 W C 1.319 177.755 176.519 -0.138 0.000 1.029 304 W CA 0.574 57.972 57.345 0.088 0.000 0.499 304 W CB -2.283 27.340 29.460 0.272 0.000 2.045 304 W HN 0.995 nan 8.180 nan 0.000 1.374 305 G N -2.552 106.060 108.800 -0.314 0.000 2.211 305 G HA2 -0.336 3.630 3.960 0.010 0.000 0.201 305 G HA3 -0.336 3.630 3.960 0.010 0.000 0.201 305 G C 0.510 174.997 174.900 -0.688 0.000 0.997 305 G CA 0.144 44.648 45.100 -0.992 0.000 0.652 305 G HN 0.310 nan 8.290 nan 0.000 0.500 306 Y N 1.082 121.214 120.300 -0.280 0.000 2.439 306 Y HA 0.166 4.723 4.550 0.011 0.000 0.292 306 Y C 2.157 177.832 175.900 -0.375 0.000 1.130 306 Y CA 1.560 59.403 58.100 -0.428 0.000 1.254 306 Y CB 0.278 38.403 38.460 -0.559 0.000 1.000 306 Y HN 0.333 nan 8.280 nan 0.000 0.554 307 Q N 1.188 120.948 119.800 -0.066 0.000 2.810 307 Q HA 0.249 4.595 4.340 0.010 0.000 0.236 307 Q C -0.759 175.232 176.000 -0.015 0.000 1.278 307 Q CA -0.361 55.453 55.803 0.018 0.000 1.065 307 Q CB 0.734 29.527 28.738 0.091 0.000 1.364 307 Q HN 0.052 nan 8.270 nan 0.000 0.570 308 V N 1.549 121.388 119.914 -0.124 0.000 2.686 308 V HA 0.052 4.178 4.120 0.010 0.000 0.295 308 V C 1.306 177.302 176.094 -0.164 0.000 1.055 308 V CA 0.541 62.708 62.300 -0.222 0.000 1.050 308 V CB 1.338 32.779 31.823 -0.636 0.000 0.984 308 V HN 0.770 nan 8.190 nan 0.000 0.482 309 T N -1.109 113.403 114.554 -0.070 0.000 2.964 309 T HA 0.130 4.486 4.350 0.010 0.000 0.249 309 T C 0.632 175.398 174.700 0.111 0.000 1.000 309 T CA 0.032 62.119 62.100 -0.022 0.000 0.992 309 T CB 0.364 69.223 68.868 -0.015 0.000 1.087 309 T HN 0.445 nan 8.240 nan 0.000 0.489 310 S N 1.074 116.839 115.700 0.109 0.000 2.532 310 S HA 0.449 4.925 4.470 0.010 0.000 0.256 310 S C -0.368 174.344 174.600 0.186 0.000 1.298 310 S CA -0.746 57.575 58.200 0.202 0.000 1.166 310 S CB 0.231 63.544 63.200 0.188 0.000 1.022 310 S HN 0.318 nan 8.310 nan 0.000 0.480 311 Y N 0.578 120.989 120.300 0.184 0.000 2.333 311 Y HA -0.129 4.427 4.550 0.010 0.000 0.290 311 Y C 1.033 177.002 175.900 0.114 0.000 1.144 311 Y CA 1.398 59.559 58.100 0.101 0.000 1.228 311 Y CB -0.150 38.244 38.460 -0.109 0.000 0.985 311 Y HN 0.677 nan 8.280 nan 0.000 0.542 312 Y N -0.862 119.567 120.300 0.214 0.000 2.532 312 Y HA 0.520 5.076 4.550 0.010 0.000 0.283 312 Y C 0.416 176.450 175.900 0.223 0.000 1.181 312 Y CA -0.205 57.903 58.100 0.013 0.000 1.256 312 Y CB 0.207 38.515 38.460 -0.253 0.000 1.112 312 Y HN -0.086 nan 8.280 nan 0.000 0.521 313 A N 0.186 123.249 122.820 0.406 0.000 2.427 313 A HA 0.646 4.972 4.320 0.010 0.000 0.298 313 A C -3.035 174.720 177.584 0.285 0.000 1.036 313 A CA -1.903 50.333 52.037 0.331 0.000 0.701 313 A CB 1.249 20.416 19.000 0.278 0.000 1.250 313 A HN -0.135 nan 8.150 nan 0.000 0.412 314 P HA 0.203 nan 4.420 nan 0.000 0.271 314 P C 0.299 177.643 177.300 0.073 0.000 1.216 314 P CA 0.167 63.267 63.100 0.000 0.000 0.776 314 P CB 0.696 32.199 31.700 -0.329 0.000 0.881 315 T N 1.195 115.783 114.554 0.057 0.000 2.908 315 T HA 0.022 4.378 4.350 0.010 0.000 0.301 315 T C 1.316 176.016 174.700 0.000 0.000 1.019 315 T CA 0.484 62.568 62.100 -0.025 0.000 1.152 315 T CB -0.221 68.545 68.868 -0.169 0.000 0.966 315 T HN 0.441 nan 8.240 nan 0.000 0.540 316 S N 4.648 120.312 115.700 -0.062 0.000 2.607 316 S HA 0.052 4.528 4.470 0.010 0.000 0.224 316 S C 1.849 176.330 174.600 -0.197 0.000 0.969 316 S CA -0.076 58.105 58.200 -0.031 0.000 0.927 316 S CB -0.141 63.052 63.200 -0.012 0.000 0.772 316 S HN 0.779 nan 8.310 nan 0.000 0.533 317 R N 0.298 120.508 120.500 -0.484 0.000 2.127 317 R HA 0.022 4.368 4.340 0.010 0.000 0.238 317 R C 0.718 176.575 176.300 -0.738 0.000 1.134 317 R CA 1.810 57.463 56.100 -0.745 0.000 0.975 317 R CB -0.273 29.279 30.300 -1.247 0.000 0.865 317 R HN 0.625 nan 8.270 nan 0.000 0.447 318 F N -1.170 118.586 119.950 -0.324 0.000 2.678 318 F HA 0.375 4.908 4.527 0.010 0.000 0.305 318 F C 1.018 176.635 175.800 -0.304 0.000 1.090 318 F CA -0.066 57.603 58.000 -0.551 0.000 1.272 318 F CB 1.264 39.527 39.000 -1.229 0.000 1.060 318 F HN 0.102 nan 8.300 nan 0.000 0.576 319 G N 0.387 109.269 108.800 0.135 0.000 2.302 319 G HA2 0.189 4.155 3.960 0.010 0.000 0.276 319 G HA3 0.189 4.155 3.960 0.010 0.000 0.276 319 G C -0.712 174.417 174.900 0.383 0.000 1.316 319 G CA -0.571 44.727 45.100 0.329 0.000 0.988 319 G HN 0.125 nan 8.290 nan 0.000 0.479 320 T N -1.241 113.492 114.554 0.299 0.000 2.881 320 T HA 0.654 5.010 4.350 0.010 0.000 0.278 320 T C -1.436 173.376 174.700 0.186 0.000 0.982 320 T CA -0.723 61.505 62.100 0.214 0.000 0.989 320 T CB 2.029 70.985 68.868 0.147 0.000 1.058 320 T HN 0.219 nan 8.240 nan 0.000 0.529 321 P HA -0.051 nan 4.420 nan 0.000 0.215 321 P C 0.998 178.369 177.300 0.118 0.000 1.153 321 P CA 0.952 64.201 63.100 0.248 0.000 0.853 321 P CB -0.014 31.884 31.700 0.330 0.000 0.788 322 D N -0.953 119.435 120.400 -0.020 0.000 2.144 322 D HA -0.142 4.504 4.640 0.010 0.000 0.199 322 D C 1.540 177.666 176.300 -0.289 0.000 0.984 322 D CA 1.033 54.884 54.000 -0.249 0.000 0.834 322 D CB -0.740 40.009 40.800 -0.085 0.000 0.955 322 D HN 0.139 nan 8.370 nan 0.000 0.465 323 D N -0.381 119.977 120.400 -0.070 0.000 2.144 323 D HA -0.149 4.497 4.640 0.010 0.000 0.199 323 D C 1.794 177.999 176.300 -0.159 0.000 0.984 323 D CA 0.415 54.411 54.000 -0.007 0.000 0.834 323 D CB -0.315 40.625 40.800 0.233 0.000 0.955 323 D HN 0.199 nan 8.370 nan 0.000 0.465 324 F N 1.975 121.612 119.950 -0.522 0.000 2.186 324 F HA -0.044 4.489 4.527 0.010 0.000 0.299 324 F C 2.208 177.783 175.800 -0.375 0.000 1.090 324 F CA 1.103 58.660 58.000 -0.738 0.000 1.307 324 F CB -0.052 38.481 39.000 -0.780 0.000 1.019 324 F HN -0.212 nan 8.300 nan 0.000 0.489 325 R N 0.111 120.277 120.500 -0.556 0.000 2.096 325 R HA -0.127 4.219 4.340 0.010 0.000 0.235 325 R C 2.408 178.115 176.300 -0.988 0.000 1.127 325 R CA 1.179 56.702 56.100 -0.962 0.000 0.968 325 R CB -0.844 28.423 30.300 -1.722 0.000 0.861 325 R HN 0.376 nan 8.270 nan 0.000 0.440 326 A N 1.237 123.612 122.820 -0.742 0.000 1.969 326 A HA -0.142 4.184 4.320 0.010 0.000 0.218 326 A C 2.058 179.493 177.584 -0.247 0.000 1.169 326 A CA 0.937 52.771 52.037 -0.338 0.000 0.635 326 A CB -0.333 18.586 19.000 -0.134 0.000 0.810 326 A HN 0.233 nan 8.150 nan 0.000 0.445 327 L N -0.081 120.958 121.223 -0.306 0.000 2.005 327 L HA -0.080 4.266 4.340 0.010 0.000 0.207 327 L C 2.350 179.021 176.870 -0.332 0.000 1.072 327 L CA 2.011 56.704 54.840 -0.244 0.000 0.744 327 L CB -0.741 41.202 42.059 -0.192 0.000 0.895 327 L HN 0.129 nan 8.230 nan 0.000 0.433 328 V N 0.160 119.768 119.914 -0.510 0.000 2.343 328 V HA -0.289 3.837 4.120 0.010 0.000 0.247 328 V C 2.455 178.310 176.094 -0.397 0.000 1.051 328 V CA 1.991 63.993 62.300 -0.496 0.000 1.036 328 V CB -0.843 30.727 31.823 -0.421 0.000 0.654 328 V HN 0.543 nan 8.190 nan 0.000 0.451 329 D N 0.256 120.584 120.400 -0.120 0.000 2.104 329 D HA -0.159 4.487 4.640 0.010 0.000 0.194 329 D C 2.167 178.480 176.300 0.021 0.000 0.994 329 D CA 1.748 55.819 54.000 0.119 0.000 0.830 329 D CB -0.104 40.780 40.800 0.141 0.000 0.959 329 D HN 0.383 nan 8.370 nan 0.000 0.452 330 A N 0.187 122.971 122.820 -0.060 0.000 1.902 330 A HA -0.093 4.233 4.320 0.010 0.000 0.217 330 A C 2.581 180.119 177.584 -0.078 0.000 1.181 330 A CA 1.051 53.061 52.037 -0.044 0.000 0.623 330 A CB -0.791 18.181 19.000 -0.047 0.000 0.818 330 A HN 0.341 nan 8.150 nan 0.000 0.443 331 L N -1.413 119.712 121.223 -0.162 0.000 2.046 331 L HA -0.197 4.149 4.340 0.010 0.000 0.208 331 L C 2.649 179.389 176.870 -0.218 0.000 1.077 331 L CA 1.336 56.061 54.840 -0.191 0.000 0.747 331 L CB -0.679 41.230 42.059 -0.251 0.000 0.896 331 L HN 0.408 nan 8.230 nan 0.000 0.432 332 H N 0.022 118.863 119.070 -0.381 0.000 2.352 332 H HA -0.174 4.388 4.556 0.010 0.000 0.299 332 H C 2.268 177.455 175.328 -0.235 0.000 1.097 332 H CA 1.294 56.976 56.048 -0.609 0.000 1.311 332 H CB -0.249 29.256 29.762 -0.429 0.000 1.377 332 H HN 0.427 nan 8.280 nan 0.000 0.504 333 Q N -0.557 119.280 119.800 0.062 0.000 2.369 333 Q HA 0.075 4.422 4.340 0.010 0.000 0.206 333 Q C 1.800 177.832 176.000 0.054 0.000 0.963 333 Q CA 0.798 56.654 55.803 0.089 0.000 0.894 333 Q CB 0.267 29.056 28.738 0.086 0.000 0.965 333 Q HN 0.382 nan 8.270 nan 0.000 0.475 334 A N -0.214 122.607 122.820 0.002 0.000 2.275 334 A HA 0.368 4.694 4.320 0.010 0.000 0.212 334 A C 1.355 178.943 177.584 0.006 0.000 1.201 334 A CA 0.597 52.636 52.037 0.004 0.000 0.843 334 A CB 0.027 19.018 19.000 -0.016 0.000 0.873 334 A HN 0.385 nan 8.150 nan 0.000 0.492 335 G N -0.569 108.228 108.800 -0.004 0.000 2.136 335 G HA2 -0.175 3.792 3.960 0.010 0.000 0.242 335 G HA3 -0.175 3.792 3.960 0.010 0.000 0.242 335 G C -0.125 174.729 174.900 -0.078 0.000 0.989 335 G CA 0.216 45.367 45.100 0.085 0.000 0.682 335 G HN 0.333 nan 8.290 nan 0.000 0.522 336 I N 1.371 121.748 120.570 -0.322 0.000 2.359 336 I HA 0.568 4.744 4.170 0.010 0.000 0.294 336 I C 1.195 176.977 176.117 -0.558 0.000 0.987 336 I CA -0.783 60.328 61.300 -0.316 0.000 1.225 336 I CB 0.726 38.627 38.000 -0.166 0.000 1.366 336 I HN 0.135 nan 8.210 nan 0.000 0.466 337 G N 5.198 113.762 108.800 -0.393 0.000 2.476 337 G HA2 0.500 4.466 3.960 0.010 0.000 0.269 337 G HA3 0.500 4.466 3.960 0.010 0.000 0.269 337 G C -0.658 174.293 174.900 0.086 0.000 1.195 337 G CA -0.255 44.802 45.100 -0.071 0.000 0.843 337 G HN 0.377 nan 8.290 nan 0.000 0.545 338 V N 2.679 122.709 119.914 0.193 0.000 2.407 338 V HA 0.393 4.519 4.120 0.010 0.000 0.291 338 V C -0.122 176.077 176.094 0.174 0.000 1.018 338 V CA -0.479 61.897 62.300 0.126 0.000 0.842 338 V CB 1.180 33.003 31.823 -0.001 0.000 0.996 338 V HN 0.589 nan 8.190 nan 0.000 0.426 339 I N 4.834 125.494 120.570 0.150 0.000 2.441 339 I HA 0.608 4.784 4.170 0.010 0.000 0.295 339 I C -0.593 175.567 176.117 0.072 0.000 0.994 339 I CA -0.894 60.482 61.300 0.126 0.000 1.144 339 I CB 2.147 40.230 38.000 0.139 0.000 1.314 339 I HN 0.265 nan 8.210 nan 0.000 0.445 340 V N 4.094 124.029 119.914 0.036 0.000 2.604 340 V HA 0.273 4.399 4.120 0.010 0.000 0.305 340 V C -0.607 175.472 176.094 -0.025 0.000 1.043 340 V CA -0.796 61.480 62.300 -0.040 0.000 0.888 340 V CB 2.036 33.770 31.823 -0.149 0.000 0.995 340 V HN 0.581 nan 8.190 nan 0.000 0.429 341 D N 3.104 123.473 120.400 -0.052 0.000 2.371 341 D HA 0.149 4.795 4.640 0.010 0.000 0.256 341 D C -0.697 175.612 176.300 0.015 0.000 1.193 341 D CA 0.221 54.220 54.000 -0.003 0.000 0.881 341 D CB 0.682 41.445 40.800 -0.061 0.000 1.143 341 D HN 0.507 nan 8.370 nan 0.000 0.473 342 W N 3.806 125.056 121.300 -0.082 0.000 2.478 342 W HA 0.404 5.070 4.660 0.010 0.000 0.318 342 W C -0.525 176.057 176.519 0.105 0.000 1.062 342 W CA -1.197 56.121 57.345 -0.046 0.000 1.210 342 W CB 1.117 30.581 29.460 0.007 0.000 1.325 342 W HN 0.125 nan 8.180 nan 0.000 0.496 343 V N 5.797 125.595 119.914 -0.193 0.000 2.294 343 V HA 0.370 4.496 4.120 0.010 0.000 0.258 343 V C -2.176 173.957 176.094 0.064 0.000 1.080 343 V CA -1.735 60.578 62.300 0.021 0.000 1.128 343 V CB 0.682 32.564 31.823 0.100 0.000 1.323 343 V HN 0.457 nan 8.190 nan 0.000 0.498 344 P HA 0.130 nan 4.420 nan 0.000 0.229 344 P C 1.524 179.054 177.300 0.382 0.000 1.160 344 P CA 1.432 64.477 63.100 -0.091 0.000 0.777 344 P CB 0.427 31.979 31.700 -0.246 0.000 0.814 345 A N -1.587 121.423 122.820 0.317 0.000 2.169 345 A HA -0.008 4.318 4.320 0.010 0.000 0.212 345 A C 0.311 177.974 177.584 0.131 0.000 1.153 345 A CA 0.624 52.814 52.037 0.256 0.000 0.756 345 A CB -1.049 18.004 19.000 0.089 0.000 0.813 345 A HN 0.227 nan 8.150 nan 0.000 0.471 346 H N -2.295 116.972 119.070 0.329 0.000 2.472 346 H HA 0.588 5.150 4.556 0.010 0.000 0.338 346 H C -1.320 174.197 175.328 0.316 0.000 1.133 346 H CA -0.600 55.617 56.048 0.281 0.000 1.216 346 H CB 1.190 31.087 29.762 0.225 0.000 1.497 346 H HN 0.243 nan 8.280 nan 0.000 0.500 347 F N 3.301 123.312 119.950 0.103 0.000 2.493 347 F HA 0.422 4.955 4.527 0.010 0.000 0.329 347 F C -2.518 173.240 175.800 -0.071 0.000 1.126 347 F CA -2.649 55.266 58.000 -0.141 0.000 0.937 347 F CB 1.468 40.278 39.000 -0.317 0.000 1.146 347 F HN 0.399 nan 8.300 nan 0.000 0.442 348 P HA 0.040 nan 4.420 nan 0.000 0.261 348 P C -0.519 176.562 177.300 -0.366 0.000 1.183 348 P CA 0.166 62.995 63.100 -0.453 0.000 0.761 348 P CB 0.420 31.786 31.700 -0.557 0.000 0.785 349 K N 1.364 121.609 120.400 -0.259 0.000 2.358 349 K HA 0.142 4.468 4.320 0.010 0.000 0.197 349 K C -0.312 176.100 176.600 -0.313 0.000 1.025 349 K CA -0.180 55.940 56.287 -0.279 0.000 1.104 349 K CB 0.356 32.711 32.500 -0.241 0.000 0.855 349 K HN 0.297 nan 8.250 nan 0.000 0.531 350 D N 2.052 122.194 120.400 -0.429 0.000 2.389 350 D HA 0.045 4.691 4.640 0.010 0.000 0.247 350 D C 0.866 176.819 176.300 -0.579 0.000 1.128 350 D CA 0.205 53.851 54.000 -0.590 0.000 0.884 350 D CB 1.724 41.829 40.800 -1.159 0.000 1.194 350 D HN 0.238 nan 8.370 nan 0.000 0.441 351 A N 3.757 126.380 122.820 -0.329 0.000 2.070 351 A HA -0.144 4.182 4.320 0.010 0.000 0.220 351 A C 1.553 179.080 177.584 -0.095 0.000 1.159 351 A CA 0.597 52.546 52.037 -0.146 0.000 0.656 351 A CB -0.459 18.530 19.000 -0.018 0.000 0.800 351 A HN 0.810 nan 8.150 nan 0.000 0.453 352 W N -2.268 119.018 121.300 -0.023 0.000 3.290 352 W HA 0.628 5.294 4.660 0.010 0.000 0.287 352 W C 0.800 177.346 176.519 0.044 0.000 1.288 352 W CA 0.147 57.485 57.345 -0.011 0.000 1.725 352 W CB -0.922 28.515 29.460 -0.039 0.000 1.103 352 W HN 0.340 nan 8.180 nan 0.000 0.670 353 A N 1.771 124.306 122.820 -0.474 0.000 3.469 353 A HA 0.402 4.728 4.320 0.010 0.000 0.198 353 A C 1.683 179.235 177.584 -0.054 0.000 2.008 353 A CA 0.144 51.958 52.037 -0.373 0.000 1.746 353 A CB -0.363 18.166 19.000 -0.786 0.000 1.237 353 A HN 0.152 nan 8.150 nan 0.000 0.358 354 L N 0.090 121.178 121.223 -0.226 0.000 2.556 354 L HA 0.242 4.588 4.340 0.010 0.000 0.226 354 L C 1.499 178.469 176.870 0.167 0.000 1.089 354 L CA 0.139 54.878 54.840 -0.168 0.000 0.864 354 L CB -0.313 41.335 42.059 -0.685 0.000 1.067 354 L HN 0.565 nan 8.230 nan 0.000 0.477 355 G N 0.422 109.316 108.800 0.157 0.000 2.380 355 G HA2 0.091 4.058 3.960 0.010 0.000 0.242 355 G HA3 0.091 4.058 3.960 0.010 0.000 0.242 355 G C 0.211 175.291 174.900 0.301 0.000 1.298 355 G CA -0.241 45.095 45.100 0.393 0.000 0.878 355 G HN 0.363 nan 8.290 nan 0.000 0.542 356 R N 0.924 121.610 120.500 0.311 0.000 3.034 356 R HA -0.253 4.093 4.340 0.010 0.000 0.237 356 R C 0.824 177.230 176.300 0.176 0.000 0.861 356 R CA 0.257 56.470 56.100 0.188 0.000 0.588 356 R CB -1.382 28.985 30.300 0.112 0.000 1.035 356 R HN 0.615 nan 8.270 nan 0.000 0.488 357 F N 2.011 122.045 119.950 0.140 0.000 2.065 357 F HA -0.248 4.285 4.527 0.010 0.000 0.298 357 F C 2.173 178.001 175.800 0.047 0.000 1.112 357 F CA 2.458 60.532 58.000 0.124 0.000 1.212 357 F CB 0.092 39.245 39.000 0.255 0.000 0.975 357 F HN 0.361 nan 8.300 nan 0.000 0.476 358 D N -1.515 118.937 120.400 0.087 0.000 2.388 358 D HA 0.229 4.875 4.640 0.010 0.000 0.221 358 D C 1.513 177.790 176.300 -0.039 0.000 1.133 358 D CA 0.670 54.653 54.000 -0.029 0.000 0.831 358 D CB -0.059 40.747 40.800 0.009 0.000 0.962 358 D HN 0.436 nan 8.370 nan 0.000 0.502 359 G N -0.264 108.518 108.800 -0.031 0.000 2.195 359 G HA2 -0.209 3.757 3.960 0.010 0.000 0.224 359 G HA3 -0.209 3.757 3.960 0.010 0.000 0.224 359 G C 0.390 175.284 174.900 -0.009 0.000 0.990 359 G CA 0.319 45.405 45.100 -0.024 0.000 0.639 359 G HN 0.891 nan 8.290 nan 0.000 0.514 360 T N -2.570 111.982 114.554 -0.003 0.000 2.887 360 T HA 0.707 5.063 4.350 0.010 0.000 0.292 360 T C -3.376 171.325 174.700 0.001 0.000 1.087 360 T CA -1.740 60.351 62.100 -0.015 0.000 1.009 360 T CB 2.984 71.831 68.868 -0.035 0.000 1.203 360 T HN -0.068 nan 8.240 nan 0.000 0.518 361 P HA 0.237 nan 4.420 nan 0.000 0.241 361 P C 0.632 177.916 177.300 -0.026 0.000 1.760 361 P CA -0.392 62.680 63.100 -0.047 0.000 1.081 361 P CB -0.161 31.454 31.700 -0.142 0.000 1.975 362 L N 2.183 123.424 121.223 0.029 0.000 1.961 362 L HA -0.164 4.182 4.340 0.010 0.000 0.210 362 L C 1.663 178.541 176.870 0.013 0.000 1.072 362 L CA 2.207 57.017 54.840 -0.050 0.000 0.749 362 L CB -1.063 40.917 42.059 -0.131 0.000 0.889 362 L HN 0.168 nan 8.230 nan 0.000 0.432 363 Y N 0.035 120.436 120.300 0.167 0.000 2.337 363 Y HA -0.004 4.552 4.550 0.010 0.000 0.293 363 Y C 1.243 177.166 175.900 0.039 0.000 1.123 363 Y CA 0.444 58.701 58.100 0.261 0.000 1.201 363 Y CB -0.255 38.468 38.460 0.439 0.000 1.011 363 Y HN 0.293 nan 8.280 nan 0.000 0.545 364 E N 0.811 120.940 120.200 -0.119 0.000 2.313 364 E HA -0.001 4.355 4.350 0.010 0.000 0.272 364 E C -0.968 175.451 176.600 -0.302 0.000 1.038 364 E CA -0.591 55.471 56.400 -0.563 0.000 0.863 364 E CB 0.463 29.532 29.700 -1.051 0.000 1.060 364 E HN 0.421 nan 8.360 nan 0.000 0.402 365 H N 1.471 120.284 119.070 -0.428 0.000 3.004 365 H HA 0.085 4.647 4.556 0.010 0.000 0.316 365 H C -0.416 174.708 175.328 -0.339 0.000 1.014 365 H CA -0.196 55.665 56.048 -0.312 0.000 1.454 365 H CB 0.620 30.221 29.762 -0.270 0.000 1.472 365 H HN 0.401 nan 8.280 nan 0.000 0.571 366 S N 3.216 118.862 115.700 -0.090 0.000 2.681 366 S HA 0.206 4.682 4.470 0.010 0.000 0.270 366 S C -0.570 173.799 174.600 -0.385 0.000 1.209 366 S CA -0.520 57.531 58.200 -0.250 0.000 0.988 366 S CB 1.169 64.284 63.200 -0.142 0.000 1.006 366 S HN 0.824 nan 8.310 nan 0.000 0.558 367 D N -1.531 118.667 120.400 -0.336 0.000 2.692 367 D HA 0.501 5.147 4.640 0.010 0.000 0.303 367 D C -3.200 172.957 176.300 -0.238 0.000 1.278 367 D CA -1.386 52.406 54.000 -0.347 0.000 0.852 367 D CB -0.789 39.724 40.800 -0.478 0.000 1.375 367 D HN 0.155 nan 8.370 nan 0.000 0.453 368 P HA 0.034 nan 4.420 nan 0.000 0.268 368 P C 0.012 177.233 177.300 -0.132 0.000 1.189 368 P CA -0.070 62.944 63.100 -0.143 0.000 0.771 368 P CB 0.379 32.002 31.700 -0.128 0.000 0.822 369 K N 2.445 122.788 120.400 -0.095 0.000 2.545 369 K HA 0.183 4.509 4.320 0.010 0.000 0.269 369 K C -0.090 176.467 176.600 -0.072 0.000 1.071 369 K CA -0.518 55.720 56.287 -0.081 0.000 0.919 369 K CB 0.102 32.566 32.500 -0.060 0.000 1.169 369 K HN 0.199 nan 8.250 nan 0.000 0.493 370 R N -0.157 120.311 120.500 -0.054 0.000 2.585 370 R HA 0.295 4.641 4.340 0.010 0.000 0.275 370 R C 0.274 176.552 176.300 -0.036 0.000 1.018 370 R CA 0.812 56.886 56.100 -0.043 0.000 1.072 370 R CB 0.026 30.307 30.300 -0.032 0.000 0.953 370 R HN 0.862 nan 8.270 nan 0.000 0.419 371 G N 1.011 109.793 108.800 -0.031 0.000 2.368 371 G HA2 -0.061 3.905 3.960 0.010 0.000 0.302 371 G HA3 -0.061 3.905 3.960 0.010 0.000 0.302 371 G C -0.426 174.464 174.900 -0.016 0.000 1.329 371 G CA -0.412 44.675 45.100 -0.022 0.000 0.935 371 G HN 0.637 nan 8.290 nan 0.000 0.590 372 E N -0.748 119.448 120.200 -0.006 0.000 4.034 372 E HA 0.391 4.748 4.350 0.010 0.000 0.567 372 E C 0.653 177.260 176.600 0.011 0.000 0.339 372 E CA 0.636 57.040 56.400 0.007 0.000 3.626 372 E CB -0.148 29.559 29.700 0.012 0.000 2.218 372 E HN 0.695 nan 8.360 nan 0.000 0.331 373 Q N -0.978 118.837 119.800 0.025 0.000 0.711 373 Q HA -0.211 4.135 4.340 0.010 0.000 0.342 373 Q C 0.292 176.337 176.000 0.076 0.000 1.068 373 Q CA 1.650 57.477 55.803 0.041 0.000 0.397 373 Q CB -1.209 27.536 28.738 0.012 0.000 5.352 373 Q HN 0.595 nan 8.270 nan 0.000 0.379 374 L N 1.248 122.531 121.223 0.100 0.000 2.783 374 L HA 0.373 4.719 4.340 0.010 0.000 0.235 374 L C -0.344 176.547 176.870 0.035 0.000 1.260 374 L CA -0.312 54.636 54.840 0.179 0.000 1.184 374 L CB 0.073 42.358 42.059 0.378 0.000 1.472 374 L HN 0.261 nan 8.230 nan 0.000 0.426 375 D N 1.312 121.695 120.400 -0.028 0.000 2.441 375 D HA 0.388 5.034 4.640 0.010 0.000 0.231 375 D C -0.392 175.850 176.300 -0.097 0.000 1.073 375 D CA -0.237 53.627 54.000 -0.227 0.000 0.850 375 D CB 0.926 41.605 40.800 -0.202 0.000 1.062 375 D HN 0.291 nan 8.370 nan 0.000 0.524 376 W N 1.709 122.888 121.300 -0.202 0.000 3.052 376 W HA 0.813 5.479 4.660 0.010 0.000 0.366 376 W C 0.784 177.223 176.519 -0.132 0.000 1.438 376 W CA -0.816 56.432 57.345 -0.162 0.000 1.266 376 W CB -0.178 29.163 29.460 -0.199 0.000 1.720 376 W HN 0.227 nan 8.180 nan 0.000 0.657 377 G N -0.438 108.508 108.800 0.242 0.000 3.142 377 G HA2 0.365 4.331 3.960 0.010 0.000 0.178 377 G HA3 0.365 4.331 3.960 0.010 0.000 0.178 377 G C -0.012 175.018 174.900 0.215 0.000 1.941 377 G CA 0.311 45.515 45.100 0.173 0.000 0.902 377 G HN 0.867 nan 8.290 nan 0.000 0.517 378 T N 0.555 115.315 114.554 0.343 0.000 2.109 378 T HA -0.190 4.167 4.350 0.010 0.000 0.561 378 T C -0.998 173.824 174.700 0.203 0.000 0.876 378 T CA 0.494 62.770 62.100 0.294 0.000 2.982 378 T CB -1.408 67.665 68.868 0.342 0.000 1.780 378 T HN 0.335 nan 8.240 nan 0.000 0.436 379 Y N 2.019 122.275 120.300 -0.073 0.000 2.480 379 Y HA 0.453 5.009 4.550 0.010 0.000 0.341 379 Y C 0.922 176.647 175.900 -0.293 0.000 1.031 379 Y CA -1.120 56.811 58.100 -0.283 0.000 1.295 379 Y CB 0.672 38.957 38.460 -0.291 0.000 1.162 379 Y HN 0.600 nan 8.280 nan 0.000 0.523 380 V N 0.866 120.589 119.914 -0.318 0.000 2.823 380 V HA 0.584 4.710 4.120 0.010 0.000 0.312 380 V C -0.497 175.332 176.094 -0.441 0.000 1.072 380 V CA -1.656 60.525 62.300 -0.199 0.000 0.937 380 V CB 1.548 33.381 31.823 0.017 0.000 1.013 380 V HN 0.388 nan 8.190 nan 0.000 0.430 381 F N 1.698 121.447 119.950 -0.335 0.000 2.553 381 F HA 0.257 4.790 4.527 0.010 0.000 0.356 381 F C 1.091 176.297 175.800 -0.991 0.000 1.142 381 F CA 0.512 58.177 58.000 -0.559 0.000 1.322 381 F CB 0.316 38.970 39.000 -0.576 0.000 1.126 381 F HN 0.749 nan 8.300 nan 0.000 0.599 382 D N 3.411 123.578 120.400 -0.387 0.000 2.517 382 D HA 0.057 4.703 4.640 0.010 0.000 0.220 382 D C 0.699 176.755 176.300 -0.406 0.000 1.158 382 D CA -0.068 53.680 54.000 -0.420 0.000 0.992 382 D CB -0.372 40.312 40.800 -0.194 0.000 1.058 382 D HN 0.264 nan 8.370 nan 0.000 0.516 383 F N 0.950 120.824 119.950 -0.126 0.000 2.494 383 F HA 0.064 4.597 4.527 0.010 0.000 0.298 383 F C 2.518 178.262 175.800 -0.093 0.000 1.106 383 F CA 0.622 58.531 58.000 -0.153 0.000 1.452 383 F CB -0.416 38.516 39.000 -0.113 0.000 1.085 383 F HN 0.427 nan 8.300 nan 0.000 0.569 384 G N -0.396 108.386 108.800 -0.031 0.000 2.572 384 G HA2 -0.101 3.865 3.960 0.010 0.000 0.216 384 G HA3 -0.101 3.865 3.960 0.010 0.000 0.216 384 G C 0.874 175.755 174.900 -0.032 0.000 1.133 384 G CA -0.301 44.781 45.100 -0.029 0.000 0.791 384 G HN 0.155 nan 8.290 nan 0.000 0.538 385 R N 0.638 121.107 120.500 -0.051 0.000 2.221 385 R HA 0.247 4.593 4.340 0.010 0.000 0.327 385 R C -1.549 174.706 176.300 -0.075 0.000 1.033 385 R CA -1.768 54.305 56.100 -0.046 0.000 0.887 385 R CB 1.330 31.623 30.300 -0.012 0.000 1.057 385 R HN -0.053 nan 8.270 nan 0.000 0.455 386 P HA -0.230 nan 4.420 nan 0.000 0.217 386 P C 0.199 177.347 177.300 -0.254 0.000 1.162 386 P CA 1.569 64.579 63.100 -0.150 0.000 0.901 386 P CB 0.330 31.917 31.700 -0.189 0.000 0.793 387 E N -1.152 118.742 120.200 -0.509 0.000 2.150 387 E HA -0.092 4.265 4.350 0.010 0.000 0.193 387 E C 1.965 178.359 176.600 -0.343 0.000 0.985 387 E CA 0.747 56.647 56.400 -0.834 0.000 0.814 387 E CB -0.875 27.685 29.700 -1.901 0.000 0.752 387 E HN 0.049 nan 8.360 nan 0.000 0.466 388 V N 0.592 120.377 119.914 -0.215 0.000 2.323 388 V HA -0.198 3.928 4.120 0.010 0.000 0.244 388 V C 2.359 178.508 176.094 0.091 0.000 1.041 388 V CA 1.789 64.109 62.300 0.034 0.000 1.025 388 V CB -0.378 31.482 31.823 0.061 0.000 0.656 388 V HN 0.159 nan 8.190 nan 0.000 0.451 389 R N 0.473 120.990 120.500 0.029 0.000 2.091 389 R HA -0.219 4.128 4.340 0.010 0.000 0.238 389 R C 2.312 178.742 176.300 0.217 0.000 1.136 389 R CA 2.006 58.160 56.100 0.090 0.000 0.959 389 R CB -0.362 30.021 30.300 0.138 0.000 0.856 389 R HN 0.502 nan 8.270 nan 0.000 0.437 390 N N 0.174 118.994 118.700 0.200 0.000 2.120 390 N HA -0.204 4.542 4.740 0.010 0.000 0.188 390 N C 1.530 177.297 175.510 0.428 0.000 1.024 390 N CA 1.277 54.506 53.050 0.299 0.000 0.852 390 N CB -0.346 38.309 38.487 0.279 0.000 1.003 390 N HN 0.224 nan 8.380 nan 0.000 0.424 391 F N 1.244 121.373 119.950 0.299 0.000 2.120 391 F HA -0.123 4.409 4.527 0.010 0.000 0.300 391 F C 2.019 177.975 175.800 0.260 0.000 1.095 391 F CA 1.334 59.548 58.000 0.357 0.000 1.249 391 F CB -0.324 38.861 39.000 0.308 0.000 0.995 391 F HN 0.031 nan 8.300 nan 0.000 0.480 392 L N -1.050 120.248 121.223 0.126 0.000 2.068 392 L HA -0.139 4.207 4.340 0.010 0.000 0.204 392 L C 2.411 179.583 176.870 0.503 0.000 1.076 392 L CA 0.808 55.713 54.840 0.108 0.000 0.753 392 L CB -0.861 41.165 42.059 -0.055 0.000 0.910 392 L HN -0.033 nan 8.230 nan 0.000 0.439 393 V N 0.409 120.638 119.914 0.525 0.000 2.343 393 V HA -0.291 3.835 4.120 0.010 0.000 0.247 393 V C 2.735 179.040 176.094 0.352 0.000 1.051 393 V CA 1.891 64.458 62.300 0.445 0.000 1.036 393 V CB -0.815 31.229 31.823 0.368 0.000 0.654 393 V HN 0.479 nan 8.190 nan 0.000 0.451 394 A N 0.052 123.125 122.820 0.421 0.000 2.015 394 A HA -0.241 4.085 4.320 0.010 0.000 0.219 394 A C 2.021 179.964 177.584 0.600 0.000 1.163 394 A CA 2.041 54.429 52.037 0.585 0.000 0.646 394 A CB -0.779 18.620 19.000 0.666 0.000 0.806 394 A HN 0.624 nan 8.150 nan 0.000 0.448 395 N N 0.177 119.071 118.700 0.323 0.000 2.188 395 N HA -0.031 4.715 4.740 0.010 0.000 0.184 395 N C 1.728 177.351 175.510 0.188 0.000 1.018 395 N CA 1.586 54.640 53.050 0.007 0.000 0.858 395 N CB -0.310 38.033 38.487 -0.240 0.000 0.989 395 N HN 0.331 nan 8.380 nan 0.000 0.426 396 A N 0.655 123.481 122.820 0.009 0.000 1.877 396 A HA -0.072 4.254 4.320 0.010 0.000 0.216 396 A C 2.231 179.753 177.584 -0.104 0.000 1.186 396 A CA 1.151 52.919 52.037 -0.448 0.000 0.620 396 A CB -0.905 17.629 19.000 -0.776 0.000 0.822 396 A HN 0.353 nan 8.150 nan 0.000 0.443 397 L N -2.059 119.206 121.223 0.070 0.000 2.083 397 L HA -0.209 4.137 4.340 0.010 0.000 0.209 397 L C 2.594 179.477 176.870 0.020 0.000 1.083 397 L CA 1.818 56.747 54.840 0.147 0.000 0.752 397 L CB -0.810 41.482 42.059 0.389 0.000 0.899 397 L HN 0.583 nan 8.230 nan 0.000 0.433 398 Y N 0.121 120.256 120.300 -0.275 0.000 2.053 398 Y HA -0.306 4.250 4.550 0.010 0.000 0.277 398 Y C 2.228 177.860 175.900 -0.446 0.000 1.159 398 Y CA 1.612 59.216 58.100 -0.826 0.000 1.125 398 Y CB -0.661 37.427 38.460 -0.620 0.000 0.969 398 Y HN 0.039 nan 8.280 nan 0.000 0.492 399 W N 0.146 121.374 121.300 -0.119 0.000 2.363 399 W HA -0.151 4.516 4.660 0.011 0.000 0.296 399 W C 2.296 178.786 176.519 -0.047 0.000 1.212 399 W CA 1.406 58.709 57.345 -0.069 0.000 1.260 399 W CB -0.504 28.925 29.460 -0.052 0.000 1.131 399 W HN 0.081 nan 8.180 nan 0.000 0.530 400 L N -0.486 120.793 121.223 0.093 0.000 2.109 400 L HA -0.170 4.176 4.340 0.010 0.000 0.207 400 L C 2.320 179.187 176.870 -0.006 0.000 1.086 400 L CA 1.283 56.150 54.840 0.045 0.000 0.760 400 L CB -0.739 41.311 42.059 -0.015 0.000 0.910 400 L HN 0.078 nan 8.230 nan 0.000 0.437 401 Q N -0.998 118.759 119.800 -0.071 0.000 2.324 401 Q HA -0.042 4.304 4.340 0.010 0.000 0.207 401 Q C 1.938 177.865 176.000 -0.122 0.000 0.928 401 Q CA 0.429 56.191 55.803 -0.069 0.000 0.890 401 Q CB 0.333 29.085 28.738 0.023 0.000 1.001 401 Q HN 0.300 nan 8.270 nan 0.000 0.517 402 E N -0.237 119.734 120.200 -0.381 0.000 2.299 402 E HA -0.013 4.343 4.350 0.010 0.000 0.193 402 E C 0.631 176.836 176.600 -0.658 0.000 0.998 402 E CA 0.775 56.812 56.400 -0.605 0.000 0.851 402 E CB 0.341 29.336 29.700 -1.175 0.000 0.795 402 E HN 0.272 nan 8.360 nan 0.000 0.492 403 F N -0.767 119.060 119.950 -0.205 0.000 2.729 403 F HA 0.232 4.765 4.527 0.010 0.000 0.315 403 F C 0.314 176.150 175.800 0.059 0.000 1.102 403 F CA -0.187 57.837 58.000 0.040 0.000 1.204 403 F CB 0.095 39.193 39.000 0.162 0.000 1.052 403 F HN 0.074 nan 8.300 nan 0.000 0.551 404 H N -0.469 118.512 119.070 -0.148 0.000 2.921 404 H HA -0.166 4.396 4.556 0.010 0.000 0.281 404 H C 0.313 175.714 175.328 0.121 0.000 1.165 404 H CA -0.245 55.705 56.048 -0.164 0.000 1.151 404 H CB -1.068 28.386 29.762 -0.513 0.000 1.311 404 H HN -0.019 nan 8.280 nan 0.000 0.361 405 I N 2.075 122.809 120.570 0.274 0.000 2.710 405 I HA -0.127 4.049 4.170 0.010 0.000 0.286 405 I C 1.548 177.792 176.117 0.212 0.000 1.181 405 I CA 0.627 62.075 61.300 0.248 0.000 1.430 405 I CB 0.485 38.636 38.000 0.252 0.000 1.367 405 I HN 0.280 nan 8.210 nan 0.000 0.577 406 D N 4.185 124.737 120.400 0.253 0.000 2.348 406 D HA 0.160 4.806 4.640 0.010 0.000 0.211 406 D C 0.917 177.314 176.300 0.162 0.000 0.998 406 D CA 0.490 54.639 54.000 0.248 0.000 0.873 406 D CB 1.071 42.111 40.800 0.400 0.000 0.925 406 D HN 0.728 nan 8.370 nan 0.000 0.524 407 G N 0.087 108.965 108.800 0.130 0.000 2.601 407 G HA2 0.556 4.522 3.960 0.010 0.000 0.291 407 G HA3 0.556 4.522 3.960 0.010 0.000 0.291 407 G C -1.886 173.046 174.900 0.054 0.000 1.456 407 G CA -0.706 44.445 45.100 0.084 0.000 0.804 407 G HN 0.015 nan 8.290 nan 0.000 0.499 408 L N 0.434 121.683 121.223 0.044 0.000 2.410 408 L HA 0.653 4.999 4.340 0.010 0.000 0.270 408 L C -0.040 176.915 176.870 0.142 0.000 0.983 408 L CA -0.840 54.033 54.840 0.056 0.000 0.822 408 L CB 2.617 44.641 42.059 -0.058 0.000 1.285 408 L HN 0.532 nan 8.230 nan 0.000 0.409 409 R N 2.550 123.136 120.500 0.143 0.000 2.343 409 R HA 0.660 5.006 4.340 0.010 0.000 0.320 409 R C -1.569 174.797 176.300 0.109 0.000 0.956 409 R CA -0.532 55.619 56.100 0.085 0.000 0.836 409 R CB 1.818 32.132 30.300 0.023 0.000 1.151 409 R HN 0.439 nan 8.270 nan 0.000 0.450 410 V N 5.906 125.866 119.914 0.076 0.000 2.350 410 V HA 0.133 4.259 4.120 0.010 0.000 0.276 410 V C 0.223 176.266 176.094 -0.085 0.000 1.028 410 V CA -0.698 61.669 62.300 0.111 0.000 0.860 410 V CB 1.165 33.138 31.823 0.251 0.000 0.990 410 V HN 0.843 nan 8.190 nan 0.000 0.453 411 D N 4.243 124.641 120.400 -0.004 0.000 2.432 411 D HA 0.426 5.072 4.640 0.010 0.000 0.258 411 D C 0.682 176.979 176.300 -0.004 0.000 1.146 411 D CA -0.020 53.938 54.000 -0.070 0.000 1.015 411 D CB 1.596 42.411 40.800 0.024 0.000 1.107 411 D HN 0.916 nan 8.370 nan 0.000 0.529 412 A N -0.110 122.690 122.820 -0.033 0.000 2.665 412 A HA -0.164 4.162 4.320 0.010 0.000 0.301 412 A C 1.396 178.973 177.584 -0.011 0.000 1.509 412 A CA 0.841 52.871 52.037 -0.011 0.000 0.789 412 A CB -2.098 16.892 19.000 -0.016 0.000 1.024 412 A HN 0.447 nan 8.150 nan 0.000 0.460 413 V N -0.908 118.971 119.914 -0.057 0.000 2.490 413 V HA -0.249 3.877 4.120 0.010 0.000 0.250 413 V C 2.889 178.945 176.094 -0.065 0.000 1.061 413 V CA 2.662 64.912 62.300 -0.083 0.000 1.064 413 V CB -0.966 30.743 31.823 -0.189 0.000 0.670 413 V HN 1.141 nan 8.190 nan 0.000 0.461 414 A N 0.780 123.607 122.820 0.013 0.000 1.940 414 A HA -0.220 4.106 4.320 0.010 0.000 0.219 414 A C 2.501 180.207 177.584 0.204 0.000 1.176 414 A CA 2.184 54.314 52.037 0.155 0.000 0.631 414 A CB -0.725 18.413 19.000 0.229 0.000 0.814 414 A HN 0.710 nan 8.150 nan 0.000 0.446 415 S N -0.973 114.805 115.700 0.130 0.000 2.507 415 S HA -0.047 4.429 4.470 0.010 0.000 0.235 415 S C 1.771 176.464 174.600 0.154 0.000 0.988 415 S CA 1.466 59.754 58.200 0.147 0.000 0.944 415 S CB -0.447 62.804 63.200 0.085 0.000 0.762 415 S HN 0.545 nan 8.310 nan 0.000 0.526 416 M N 0.356 120.008 119.600 0.087 0.000 2.447 416 M HA 0.306 4.792 4.480 0.010 0.000 0.266 416 M C 1.751 178.041 176.300 -0.018 0.000 1.120 416 M CA 0.752 56.096 55.300 0.073 0.000 1.166 416 M CB -0.250 32.328 32.600 -0.037 0.000 1.349 416 M HN 0.256 nan 8.290 nan 0.000 0.463 417 L N -0.914 120.207 121.223 -0.170 0.000 2.395 417 L HA -0.017 4.329 4.340 0.010 0.000 0.218 417 L C -0.215 176.435 176.870 -0.367 0.000 1.130 417 L CA 0.430 55.034 54.840 -0.393 0.000 0.826 417 L CB -0.226 41.333 42.059 -0.834 0.000 0.941 417 L HN 0.164 nan 8.230 nan 0.000 0.451 418 Y N -1.208 119.191 120.300 0.166 0.000 2.409 418 Y HA 0.326 4.882 4.550 0.010 0.000 0.343 418 Y C 0.547 176.567 175.900 0.199 0.000 0.973 418 Y CA -0.811 57.406 58.100 0.196 0.000 1.064 418 Y CB 1.405 39.975 38.460 0.183 0.000 1.207 418 Y HN -0.202 nan 8.280 nan 0.000 0.452 419 L N 0.845 122.292 121.223 0.373 0.000 2.554 419 L HA 0.095 4.441 4.340 0.010 0.000 0.225 419 L C 0.288 177.371 176.870 0.355 0.000 1.104 419 L CA -0.220 54.811 54.840 0.319 0.000 0.866 419 L CB -0.475 41.737 42.059 0.255 0.000 1.047 419 L HN 0.656 nan 8.230 nan 0.000 0.468 420 D N 0.817 121.414 120.400 0.328 0.000 2.560 420 D HA -0.139 4.507 4.640 0.010 0.000 0.226 420 D C -0.311 176.176 176.300 0.312 0.000 1.222 420 D CA 0.730 54.884 54.000 0.257 0.000 0.880 420 D CB 0.308 41.190 40.800 0.137 0.000 1.234 420 D HN 0.174 nan 8.370 nan 0.000 0.515 421 Y N -0.485 119.844 120.300 0.049 0.000 2.705 421 Y HA 0.302 4.859 4.550 0.010 0.000 0.367 421 Y C -0.722 175.143 175.900 -0.058 0.000 1.211 421 Y CA -0.173 57.882 58.100 -0.074 0.000 1.375 421 Y CB 0.038 38.389 38.460 -0.182 0.000 1.404 421 Y HN 1.155 nan 8.280 nan 0.000 0.514 422 S N 3.401 118.504 115.700 -0.995 0.000 3.449 422 S HA -0.176 4.300 4.470 0.010 0.000 0.857 422 S C -0.761 173.571 174.600 -0.448 0.000 1.187 422 S CA 0.840 58.485 58.200 -0.925 0.000 0.927 422 S CB -0.241 62.035 63.200 -1.541 0.000 0.661 422 S HN 1.212 nan 8.310 nan 0.000 0.275 423 R N 4.046 124.370 120.500 -0.295 0.000 2.204 423 R HA 0.516 4.862 4.340 0.010 0.000 0.341 423 R C -2.565 173.627 176.300 -0.181 0.000 1.035 423 R CA -1.719 54.269 56.100 -0.188 0.000 0.887 423 R CB -0.167 30.054 30.300 -0.131 0.000 1.114 423 R HN 0.358 nan 8.270 nan 0.000 0.473 424 P HA -0.041 nan 4.420 nan 0.000 0.269 424 P C -0.768 176.407 177.300 -0.207 0.000 1.211 424 P CA 0.142 63.134 63.100 -0.179 0.000 0.781 424 P CB 0.561 32.163 31.700 -0.164 0.000 0.877 425 E N -0.076 119.980 120.200 -0.240 0.000 2.292 425 E HA 0.475 4.831 4.350 0.010 0.000 0.272 425 E C 0.310 176.634 176.600 -0.461 0.000 0.881 425 E CA -0.358 55.861 56.400 -0.301 0.000 0.754 425 E CB 1.864 31.472 29.700 -0.152 0.000 1.201 425 E HN 0.667 nan 8.360 nan 0.000 0.425 426 G N 2.125 110.377 108.800 -0.912 0.000 2.254 426 G HA2 -0.228 3.738 3.960 0.010 0.000 0.225 426 G HA3 -0.228 3.738 3.960 0.010 0.000 0.225 426 G C 0.438 174.611 174.900 -1.211 0.000 1.003 426 G CA -0.287 44.164 45.100 -1.081 0.000 0.622 426 G HN 0.731 nan 8.290 nan 0.000 0.507 427 G N -0.434 107.814 108.800 -0.920 0.000 2.655 427 G HA2 0.477 4.443 3.960 0.010 0.000 0.334 427 G HA3 0.477 4.443 3.960 0.010 0.000 0.334 427 G C 0.273 174.892 174.900 -0.468 0.000 1.099 427 G CA -0.400 44.389 45.100 -0.520 0.000 1.075 427 G HN 0.301 nan 8.290 nan 0.000 0.463 428 W N 3.377 124.676 121.300 -0.002 0.000 3.086 428 W HA 0.222 4.888 4.660 0.010 0.000 0.436 428 W C 0.380 176.898 176.519 -0.001 0.000 0.939 428 W CA -0.395 56.947 57.345 -0.004 0.000 2.108 428 W CB -0.035 29.422 29.460 -0.005 0.000 1.093 428 W HN 0.520 nan 8.180 nan 0.000 0.783 429 T N -1.606 113.021 114.554 0.122 0.000 2.886 429 T HA 0.501 4.857 4.350 0.010 0.000 0.292 429 T C -2.770 171.958 174.700 0.048 0.000 1.012 429 T CA -2.195 59.958 62.100 0.088 0.000 0.982 429 T CB 2.654 71.567 68.868 0.076 0.000 1.018 429 T HN -0.312 nan 8.240 nan 0.000 0.451 430 P HA 0.358 nan 4.420 nan 0.000 0.276 430 P C -0.832 176.488 177.300 0.033 0.000 1.264 430 P CA -0.436 62.684 63.100 0.034 0.000 0.769 430 P CB 0.251 31.971 31.700 0.032 0.000 0.840 431 N N 2.634 121.355 118.700 0.035 0.000 2.442 431 N HA 0.188 4.934 4.740 0.010 0.000 0.274 431 N C 0.450 175.999 175.510 0.065 0.000 1.002 431 N CA -0.450 52.629 53.050 0.047 0.000 0.910 431 N CB 1.942 40.458 38.487 0.049 0.000 1.244 431 N HN -0.030 nan 8.380 nan 0.000 0.492 432 V N 1.397 121.355 119.914 0.073 0.000 2.691 432 V HA 0.020 4.146 4.120 0.010 0.000 0.180 432 V C 1.525 177.721 176.094 0.170 0.000 1.156 432 V CA 0.820 63.175 62.300 0.093 0.000 1.342 432 V CB -0.983 30.881 31.823 0.068 0.000 0.916 432 V HN 0.968 nan 8.190 nan 0.000 0.475 433 H N 0.238 119.326 119.070 0.030 0.000 1.470 433 H HA -0.285 4.277 4.556 0.010 0.000 0.090 433 H C 1.094 176.448 175.328 0.043 0.000 0.594 433 H CA 0.849 56.916 56.048 0.033 0.000 1.899 433 H CB -1.488 28.291 29.762 0.030 0.000 2.254 433 H HN 0.652 nan 8.280 nan 0.000 0.961 434 G N 1.314 110.159 108.800 0.075 0.000 3.628 434 G HA2 0.508 4.474 3.960 0.010 0.000 0.328 434 G HA3 0.508 4.474 3.960 0.010 0.000 0.328 434 G C 0.433 175.374 174.900 0.068 0.000 1.200 434 G CA 0.322 45.423 45.100 0.003 0.000 1.364 434 G HN 0.721 nan 8.290 nan 0.000 0.503 435 G N 0.832 109.688 108.800 0.094 0.000 2.661 435 G HA2 0.085 4.051 3.960 0.010 0.000 0.272 435 G HA3 0.085 4.051 3.960 0.010 0.000 0.272 435 G C 0.945 175.936 174.900 0.150 0.000 1.296 435 G CA -0.675 44.494 45.100 0.114 0.000 0.998 435 G HN 0.591 nan 8.290 nan 0.000 0.553 436 R N -0.263 120.359 120.500 0.203 0.000 2.323 436 R HA 0.033 4.379 4.340 0.010 0.000 0.198 436 R C 0.191 176.709 176.300 0.363 0.000 0.988 436 R CA 0.343 56.617 56.100 0.290 0.000 1.041 436 R CB 0.080 30.578 30.300 0.328 0.000 0.926 436 R HN 0.574 nan 8.270 nan 0.000 0.476 437 E N 2.071 122.438 120.200 0.277 0.000 2.257 437 E HA 0.009 4.365 4.350 0.010 0.000 0.278 437 E C -0.415 176.288 176.600 0.172 0.000 1.049 437 E CA -0.362 56.170 56.400 0.220 0.000 0.876 437 E CB 0.497 30.328 29.700 0.218 0.000 1.035 437 E HN -0.026 nan 8.360 nan 0.000 0.419 438 N N 4.311 123.092 118.700 0.135 0.000 2.508 438 N HA -0.013 4.733 4.740 0.010 0.000 0.253 438 N C 0.356 175.933 175.510 0.112 0.000 1.145 438 N CA -0.083 53.048 53.050 0.134 0.000 0.973 438 N CB 0.435 39.010 38.487 0.147 0.000 1.305 438 N HN 0.400 nan 8.380 nan 0.000 0.506 439 L N 2.948 124.241 121.223 0.117 0.000 2.127 439 L HA -0.135 4.211 4.340 0.010 0.000 0.211 439 L C 1.882 178.810 176.870 0.096 0.000 1.089 439 L CA 1.442 56.346 54.840 0.107 0.000 0.757 439 L CB -0.382 41.733 42.059 0.094 0.000 0.899 439 L HN 0.451 nan 8.230 nan 0.000 0.434 440 E N -0.608 119.655 120.200 0.105 0.000 2.047 440 E HA -0.105 4.251 4.350 0.010 0.000 0.191 440 E C 2.372 179.068 176.600 0.160 0.000 0.987 440 E CA 1.283 57.762 56.400 0.131 0.000 0.799 440 E CB -0.509 29.264 29.700 0.121 0.000 0.752 440 E HN 0.422 nan 8.360 nan 0.000 0.449 441 A N 0.437 123.319 122.820 0.104 0.000 1.902 441 A HA -0.152 4.174 4.320 0.010 0.000 0.217 441 A C 2.476 180.003 177.584 -0.095 0.000 1.181 441 A CA 1.427 53.376 52.037 -0.148 0.000 0.623 441 A CB -0.761 18.103 19.000 -0.227 0.000 0.818 441 A HN 0.149 nan 8.150 nan 0.000 0.443 442 V N 0.016 119.899 119.914 -0.052 0.000 2.287 442 V HA -0.270 3.856 4.120 0.010 0.000 0.248 442 V C 2.802 178.883 176.094 -0.021 0.000 1.053 442 V CA 2.205 64.473 62.300 -0.054 0.000 1.027 442 V CB -0.671 31.189 31.823 0.062 0.000 0.646 442 V HN 0.636 nan 8.190 nan 0.000 0.447 443 Q N -0.661 119.164 119.800 0.042 0.000 2.124 443 Q HA -0.208 4.138 4.340 0.010 0.000 0.202 443 Q C 2.139 178.177 176.000 0.063 0.000 0.977 443 Q CA 1.965 57.801 55.803 0.054 0.000 0.850 443 Q CB -0.377 28.413 28.738 0.085 0.000 0.901 443 Q HN 0.659 nan 8.270 nan 0.000 0.429 444 F N 0.770 120.696 119.950 -0.039 0.000 2.075 444 F HA -0.155 4.378 4.527 0.010 0.000 0.297 444 F C 1.914 177.680 175.800 -0.057 0.000 1.113 444 F CA 1.248 59.232 58.000 -0.027 0.000 1.218 444 F CB -0.605 38.358 39.000 -0.062 0.000 0.984 444 F HN 0.031 nan 8.300 nan 0.000 0.472 445 L N 0.098 120.957 121.223 -0.607 0.000 2.083 445 L HA -0.231 4.115 4.340 0.010 0.000 0.209 445 L C 2.554 179.127 176.870 -0.496 0.000 1.083 445 L CA 1.501 55.928 54.840 -0.688 0.000 0.752 445 L CB -0.853 40.977 42.059 -0.381 0.000 0.899 445 L HN 0.277 nan 8.230 nan 0.000 0.433 446 Q N -0.364 119.262 119.800 -0.291 0.000 2.079 446 Q HA -0.250 4.096 4.340 0.010 0.000 0.200 446 Q C 2.125 178.022 176.000 -0.171 0.000 0.974 446 Q CA 1.556 57.240 55.803 -0.198 0.000 0.840 446 Q CB -0.093 28.591 28.738 -0.090 0.000 0.898 446 Q HN 0.489 nan 8.270 nan 0.000 0.430 447 E N 0.489 120.606 120.200 -0.139 0.000 2.047 447 E HA -0.204 4.152 4.350 0.010 0.000 0.191 447 E C 2.065 178.600 176.600 -0.108 0.000 0.987 447 E CA 0.799 57.157 56.400 -0.070 0.000 0.799 447 E CB 0.002 29.714 29.700 0.020 0.000 0.752 447 E HN 0.230 nan 8.360 nan 0.000 0.449 448 M N 1.176 120.636 119.600 -0.234 0.000 2.080 448 M HA -0.211 4.275 4.480 0.010 0.000 0.260 448 M C 1.449 177.613 176.300 -0.228 0.000 1.068 448 M CA 1.926 57.086 55.300 -0.233 0.000 1.109 448 M CB -0.873 31.476 32.600 -0.418 0.000 1.342 448 M HN 0.101 nan 8.290 nan 0.000 0.405 449 N N 0.023 118.548 118.700 -0.291 0.000 2.084 449 N HA -0.076 4.670 4.740 0.010 0.000 0.190 449 N C 1.841 177.342 175.510 -0.014 0.000 1.030 449 N CA 1.613 54.544 53.050 -0.198 0.000 0.849 449 N CB -0.240 38.053 38.487 -0.323 0.000 1.012 449 N HN 0.475 nan 8.380 nan 0.000 0.423 450 A N 0.405 123.195 122.820 -0.051 0.000 1.877 450 A HA -0.153 4.173 4.320 0.010 0.000 0.216 450 A C 2.253 179.843 177.584 0.011 0.000 1.186 450 A CA 1.912 53.946 52.037 -0.005 0.000 0.620 450 A CB -1.069 17.916 19.000 -0.025 0.000 0.822 450 A HN 0.266 nan 8.150 nan 0.000 0.443 451 T N 0.260 114.807 114.554 -0.013 0.000 2.777 451 T HA 0.045 4.402 4.350 0.010 0.000 0.266 451 T C 2.243 176.936 174.700 -0.011 0.000 1.040 451 T CA 1.488 63.590 62.100 0.004 0.000 1.141 451 T CB -0.480 68.402 68.868 0.023 0.000 0.868 451 T HN 0.591 nan 8.240 nan 0.000 0.444 452 A N 1.812 124.589 122.820 -0.072 0.000 1.858 452 A HA -0.194 4.132 4.320 0.010 0.000 0.216 452 A C 2.126 179.616 177.584 -0.156 0.000 1.190 452 A CA 1.428 53.376 52.037 -0.148 0.000 0.617 452 A CB -0.986 17.843 19.000 -0.285 0.000 0.827 452 A HN 0.552 nan 8.150 nan 0.000 0.443 453 H N -0.573 118.462 119.070 -0.059 0.000 2.489 453 H HA -0.085 4.477 4.556 0.010 0.000 0.293 453 H C 2.030 177.337 175.328 -0.035 0.000 1.066 453 H CA 1.660 57.680 56.048 -0.046 0.000 1.305 453 H CB 0.030 29.760 29.762 -0.053 0.000 1.386 453 H HN 0.632 nan 8.280 nan 0.000 0.551 454 K N 0.807 121.249 120.400 0.069 0.000 2.044 454 K HA -0.050 4.276 4.320 0.010 0.000 0.204 454 K C 2.062 178.673 176.600 0.018 0.000 1.049 454 K CA 0.825 57.134 56.287 0.037 0.000 0.945 454 K CB 0.189 32.705 32.500 0.026 0.000 0.724 454 K HN -0.033 nan 8.250 nan 0.000 0.440 455 V N 0.867 120.790 119.914 0.014 0.000 2.548 455 V HA -0.044 4.082 4.120 0.010 0.000 0.249 455 V C 1.030 177.122 176.094 -0.005 0.000 1.055 455 V CA 1.461 63.771 62.300 0.016 0.000 1.065 455 V CB 0.121 31.971 31.823 0.045 0.000 0.681 455 V HN 0.427 nan 8.190 nan 0.000 0.462 456 A N 0.303 123.107 122.820 -0.026 0.000 3.159 456 A HA 0.628 4.954 4.320 0.010 0.000 0.330 456 A C -2.774 174.787 177.584 -0.039 0.000 1.032 456 A CA -1.295 50.713 52.037 -0.047 0.000 0.841 456 A CB 0.138 19.100 19.000 -0.064 0.000 1.093 456 A HN 0.235 nan 8.150 nan 0.000 0.478 457 P HA 0.271 nan 4.420 nan 0.000 0.264 457 P C 1.232 178.525 177.300 -0.012 0.000 1.183 457 P CA 2.203 65.307 63.100 0.007 0.000 0.763 457 P CB 0.816 32.508 31.700 -0.013 0.000 0.807 458 G N 1.630 110.448 108.800 0.030 0.000 2.213 458 G HA2 -0.243 3.723 3.960 0.010 0.000 0.236 458 G HA3 -0.243 3.723 3.960 0.010 0.000 0.236 458 G C 0.189 175.108 174.900 0.032 0.000 0.991 458 G CA 0.184 45.284 45.100 0.000 0.000 0.629 458 G HN 0.625 nan 8.290 nan 0.000 0.517 459 I N -0.056 120.534 120.570 0.034 0.000 3.021 459 I HA 0.792 4.968 4.170 0.010 0.000 0.303 459 I C 0.634 176.797 176.117 0.077 0.000 1.044 459 I CA -1.153 60.159 61.300 0.020 0.000 1.266 459 I CB 1.429 39.384 38.000 -0.076 0.000 1.447 459 I HN 0.690 nan 8.210 nan 0.000 0.593 460 V N -0.016 119.945 119.914 0.077 0.000 2.735 460 V HA 0.867 4.993 4.120 0.010 0.000 0.310 460 V C -0.220 175.941 176.094 0.112 0.000 1.061 460 V CA -0.177 62.220 62.300 0.161 0.000 0.913 460 V CB 1.100 33.008 31.823 0.141 0.000 1.005 460 V HN 1.078 nan 8.190 nan 0.000 0.428 461 T N 2.088 116.770 114.554 0.214 0.000 2.807 461 T HA 0.836 5.192 4.350 0.010 0.000 0.279 461 T C -0.574 174.369 174.700 0.406 0.000 0.993 461 T CA -0.473 61.784 62.100 0.262 0.000 0.970 461 T CB 1.315 70.302 68.868 0.199 0.000 0.950 461 T HN 0.728 nan 8.240 nan 0.000 0.441 462 I N 1.904 122.656 120.570 0.303 0.000 2.545 462 I HA 0.704 4.880 4.170 0.010 0.000 0.292 462 I C -0.075 175.909 176.117 -0.221 0.000 1.040 462 I CA -1.352 60.016 61.300 0.113 0.000 1.068 462 I CB 2.089 40.168 38.000 0.132 0.000 1.251 462 I HN 0.918 nan 8.210 nan 0.000 0.424 463 A N 4.543 127.028 122.820 -0.559 0.000 2.365 463 A HA 0.643 4.969 4.320 0.010 0.000 0.318 463 A C -0.832 176.446 177.584 -0.510 0.000 1.091 463 A CA -0.488 51.031 52.037 -0.864 0.000 0.763 463 A CB 1.712 19.688 19.000 -1.705 0.000 1.248 463 A HN 0.686 nan 8.150 nan 0.000 0.442 464 E N 2.017 121.924 120.200 -0.489 0.000 2.102 464 E HA 0.373 4.729 4.350 0.010 0.000 0.263 464 E C -1.340 175.157 176.600 -0.172 0.000 0.894 464 E CA -0.241 55.959 56.400 -0.333 0.000 0.746 464 E CB 1.217 30.583 29.700 -0.557 0.000 1.129 464 E HN 0.599 nan 8.360 nan 0.000 0.416 465 E N 2.443 122.611 120.200 -0.055 0.000 2.165 465 E HA 0.182 4.539 4.350 0.010 0.000 0.266 465 E C 0.041 176.700 176.600 0.099 0.000 0.889 465 E CA -0.402 56.001 56.400 0.004 0.000 0.756 465 E CB 1.240 30.938 29.700 -0.005 0.000 1.131 465 E HN 0.352 nan 8.360 nan 0.000 0.411 466 S N 1.744 117.507 115.700 0.105 0.000 2.548 466 S HA 0.042 4.518 4.470 0.010 0.000 0.215 466 S C 0.869 175.544 174.600 0.124 0.000 0.976 466 S CA 0.300 58.568 58.200 0.113 0.000 0.908 466 S CB -0.428 62.824 63.200 0.087 0.000 0.781 466 S HN 0.568 nan 8.310 nan 0.000 0.519 467 T N -0.636 114.029 114.554 0.185 0.000 2.897 467 T HA 0.524 4.880 4.350 0.010 0.000 0.278 467 T C -2.514 172.319 174.700 0.222 0.000 0.981 467 T CA -1.744 60.480 62.100 0.207 0.000 0.973 467 T CB 0.464 69.549 68.868 0.362 0.000 1.092 467 T HN -0.138 nan 8.240 nan 0.000 0.543 468 P HA 0.092 nan 4.420 nan 0.000 0.258 468 P C -0.257 177.161 177.300 0.198 0.000 1.319 468 P CA -0.396 62.785 63.100 0.134 0.000 0.785 468 P CB -0.056 31.680 31.700 0.060 0.000 1.252 469 W N 2.536 123.915 121.300 0.132 0.000 2.295 469 W HA 0.063 4.729 4.660 0.010 0.000 0.335 469 W C 0.242 176.810 176.519 0.081 0.000 1.351 469 W CA 0.514 57.933 57.345 0.122 0.000 1.273 469 W CB 0.305 29.839 29.460 0.124 0.000 1.214 469 W HN 0.001 nan 8.180 nan 0.000 0.563 470 S N 3.031 118.829 115.700 0.163 0.000 2.664 470 S HA 0.720 5.196 4.470 0.010 0.000 0.304 470 S C 0.549 175.311 174.600 0.269 0.000 1.099 470 S CA -0.100 58.213 58.200 0.189 0.000 1.003 470 S CB 1.872 65.105 63.200 0.054 0.000 1.092 470 S HN 1.395 nan 8.310 nan 0.000 0.525 471 G N -0.028 108.894 108.800 0.203 0.000 2.136 471 G HA2 -0.260 3.707 3.960 0.010 0.000 0.242 471 G HA3 -0.260 3.707 3.960 0.010 0.000 0.242 471 G C 0.599 175.642 174.900 0.239 0.000 0.989 471 G CA 0.116 45.329 45.100 0.189 0.000 0.682 471 G HN 0.999 nan 8.290 nan 0.000 0.522 472 V N 0.954 121.021 119.914 0.255 0.000 2.332 472 V HA -0.172 3.954 4.120 0.010 0.000 0.248 472 V C 2.769 178.988 176.094 0.208 0.000 1.055 472 V CA 3.127 65.552 62.300 0.209 0.000 1.038 472 V CB -0.632 31.258 31.823 0.112 0.000 0.651 472 V HN 1.046 nan 8.190 nan 0.000 0.450 473 T N -2.273 112.353 114.554 0.120 0.000 3.186 473 T HA 0.177 4.533 4.350 0.010 0.000 0.257 473 T C 0.605 175.337 174.700 0.054 0.000 1.029 473 T CA -0.306 61.852 62.100 0.096 0.000 0.916 473 T CB -0.172 68.710 68.868 0.024 0.000 1.041 473 T HN 0.350 nan 8.240 nan 0.000 0.562 474 R N 1.873 122.414 120.500 0.069 0.000 2.441 474 R HA 0.386 4.732 4.340 0.010 0.000 0.284 474 R C -2.776 173.537 176.300 0.022 0.000 1.070 474 R CA -2.109 54.019 56.100 0.045 0.000 1.047 474 R CB 0.272 30.614 30.300 0.069 0.000 1.016 474 R HN 0.092 nan 8.270 nan 0.000 0.477 475 P HA -0.025 nan 4.420 nan 0.000 0.265 475 P C 0.011 177.303 177.300 -0.013 0.000 1.187 475 P CA 0.224 63.307 63.100 -0.028 0.000 0.766 475 P CB 0.696 32.379 31.700 -0.029 0.000 0.820 476 T N 1.486 116.022 114.554 -0.031 0.000 2.833 476 T HA -0.162 4.194 4.350 0.010 0.000 0.269 476 T C 1.265 175.963 174.700 -0.005 0.000 1.054 476 T CA 1.949 64.036 62.100 -0.020 0.000 1.135 476 T CB -0.977 67.866 68.868 -0.041 0.000 0.869 476 T HN 0.634 nan 8.240 nan 0.000 0.466 477 N N 2.149 120.843 118.700 -0.009 0.000 2.609 477 N HA -0.040 4.706 4.740 0.010 0.000 0.190 477 N C 1.141 176.654 175.510 0.005 0.000 1.157 477 N CA 0.573 53.622 53.050 -0.003 0.000 0.918 477 N CB -0.758 37.724 38.487 -0.008 0.000 0.978 477 N HN 0.653 nan 8.380 nan 0.000 0.448 478 I N -6.802 113.775 120.570 0.011 0.000 3.817 478 I HA 0.607 4.783 4.170 0.010 0.000 0.322 478 I C 0.842 176.977 176.117 0.031 0.000 1.512 478 I CA -0.330 60.980 61.300 0.018 0.000 1.066 478 I CB 0.593 38.602 38.000 0.015 0.000 1.336 478 I HN 0.046 nan 8.210 nan 0.000 0.539 479 G N 1.000 109.823 108.800 0.038 0.000 2.213 479 G HA2 -0.199 3.767 3.960 0.010 0.000 0.226 479 G HA3 -0.199 3.767 3.960 0.010 0.000 0.226 479 G C 0.668 175.626 174.900 0.097 0.000 0.992 479 G CA -0.299 44.839 45.100 0.062 0.000 0.632 479 G HN 0.836 nan 8.290 nan 0.000 0.511 480 G N -0.472 108.377 108.800 0.082 0.000 2.651 480 G HA2 0.500 4.466 3.960 0.010 0.000 0.260 480 G HA3 0.500 4.466 3.960 0.010 0.000 0.260 480 G C 1.166 176.121 174.900 0.092 0.000 1.216 480 G CA -0.140 45.029 45.100 0.114 0.000 0.913 480 G HN 0.546 nan 8.290 nan 0.000 0.535 481 L N 0.469 121.755 121.223 0.105 0.000 2.492 481 L HA 0.174 4.521 4.340 0.010 0.000 0.223 481 L C 2.235 179.017 176.870 -0.146 0.000 1.132 481 L CA 0.826 55.669 54.840 0.005 0.000 0.850 481 L CB -0.136 41.971 42.059 0.079 0.000 0.966 481 L HN 0.960 nan 8.230 nan 0.000 0.454 482 G N -0.403 108.352 108.800 -0.075 0.000 2.176 482 G HA2 -0.296 3.670 3.960 0.010 0.000 0.253 482 G HA3 -0.296 3.670 3.960 0.010 0.000 0.253 482 G C 0.165 174.972 174.900 -0.156 0.000 0.979 482 G CA -0.419 44.596 45.100 -0.140 0.000 0.641 482 G HN 0.138 nan 8.290 nan 0.000 0.530 483 F N 1.610 121.556 119.950 -0.006 0.000 2.506 483 F HA 0.430 4.963 4.527 0.010 0.000 0.351 483 F C 1.922 177.730 175.800 0.014 0.000 1.136 483 F CA 0.776 58.792 58.000 0.028 0.000 1.298 483 F CB 1.174 40.176 39.000 0.005 0.000 1.145 483 F HN 0.015 nan 8.300 nan 0.000 0.593 484 S N 1.749 117.613 115.700 0.272 0.000 2.371 484 S HA 0.028 4.504 4.470 0.010 0.000 0.224 484 S C 0.406 175.079 174.600 0.122 0.000 1.029 484 S CA 0.928 59.209 58.200 0.134 0.000 0.978 484 S CB -0.058 63.252 63.200 0.182 0.000 0.833 484 S HN 0.502 nan 8.310 nan 0.000 0.466 485 M N 0.143 119.842 119.600 0.166 0.000 2.716 485 M HA 0.477 4.963 4.480 0.010 0.000 0.278 485 M C -1.450 174.899 176.300 0.082 0.000 1.281 485 M CA -0.852 54.510 55.300 0.103 0.000 0.814 485 M CB 2.467 35.136 32.600 0.116 0.000 1.719 485 M HN -0.018 nan 8.290 nan 0.000 0.457 486 K N -0.413 120.039 120.400 0.087 0.000 2.508 486 K HA 0.541 4.868 4.320 0.010 0.000 0.260 486 K C -2.135 174.705 176.600 0.399 0.000 0.949 486 K CA -0.789 55.572 56.287 0.124 0.000 0.834 486 K CB 1.520 34.039 32.500 0.032 0.000 1.365 486 K HN 0.489 nan 8.250 nan 0.000 0.437 487 W N 1.999 123.356 121.300 0.094 0.000 2.253 487 W HA 0.212 4.878 4.660 0.010 0.000 0.322 487 W C 0.390 177.047 176.519 0.229 0.000 1.342 487 W CA -0.438 56.986 57.345 0.131 0.000 1.218 487 W CB 0.519 30.024 29.460 0.074 0.000 1.205 487 W HN 0.571 nan 8.180 nan 0.000 0.551 488 N N 4.377 123.260 118.700 0.305 0.000 2.663 488 N HA 0.009 4.755 4.740 0.010 0.000 0.250 488 N C 0.966 176.595 175.510 0.198 0.000 1.129 488 N CA 0.073 53.183 53.050 0.100 0.000 0.995 488 N CB 0.405 38.673 38.487 -0.364 0.000 1.324 488 N HN 0.246 nan 8.380 nan 0.000 0.512 489 M N 0.761 120.517 119.600 0.259 0.000 2.229 489 M HA 0.010 4.496 4.480 0.010 0.000 0.264 489 M C 1.958 178.381 176.300 0.204 0.000 1.063 489 M CA 0.677 56.119 55.300 0.236 0.000 1.114 489 M CB -1.249 31.486 32.600 0.225 0.000 1.387 489 M HN 0.450 nan 8.290 nan 0.000 0.420 490 G N -1.101 107.831 108.800 0.219 0.000 2.402 490 G HA2 -0.265 3.701 3.960 0.010 0.000 0.216 490 G HA3 -0.265 3.701 3.960 0.010 0.000 0.216 490 G C 1.406 176.428 174.900 0.204 0.000 1.162 490 G CA 0.555 45.800 45.100 0.240 0.000 0.777 490 G HN 0.587 nan 8.290 nan 0.000 0.539 491 W N 0.699 121.987 121.300 -0.019 0.000 2.358 491 W HA -0.080 4.587 4.660 0.010 0.000 0.303 491 W C 2.424 178.882 176.519 -0.102 0.000 1.208 491 W CA 1.971 59.222 57.345 -0.155 0.000 1.274 491 W CB -0.002 29.229 29.460 -0.381 0.000 1.138 491 W HN 0.160 nan 8.180 nan 0.000 0.515 492 M N -0.316 119.293 119.600 0.016 0.000 2.099 492 M HA -0.254 4.232 4.480 0.010 0.000 0.262 492 M C 2.334 178.484 176.300 -0.250 0.000 1.067 492 M CA 2.168 57.345 55.300 -0.205 0.000 1.124 492 M CB -1.523 31.134 32.600 0.095 0.000 1.353 492 M HN 0.232 nan 8.290 nan 0.000 0.410 493 H N 0.536 119.515 119.070 -0.151 0.000 2.326 493 H HA -0.134 4.428 4.556 0.010 0.000 0.301 493 H C 1.337 176.554 175.328 -0.184 0.000 1.081 493 H CA 2.128 58.098 56.048 -0.130 0.000 1.334 493 H CB -0.214 29.516 29.762 -0.054 0.000 1.385 493 H HN 0.406 nan 8.280 nan 0.000 0.504 494 D N -0.326 120.067 120.400 -0.011 0.000 2.117 494 D HA -0.103 4.543 4.640 0.010 0.000 0.197 494 D C 2.069 178.198 176.300 -0.286 0.000 0.987 494 D CA 1.541 55.487 54.000 -0.090 0.000 0.829 494 D CB -0.496 40.272 40.800 -0.054 0.000 0.961 494 D HN 0.381 nan 8.370 nan 0.000 0.460 495 T N 1.395 115.639 114.554 -0.518 0.000 2.708 495 T HA -0.049 4.307 4.350 0.010 0.000 0.266 495 T C 2.222 176.673 174.700 -0.414 0.000 1.037 495 T CA 0.561 62.294 62.100 -0.612 0.000 1.146 495 T CB -0.252 67.924 68.868 -1.153 0.000 0.865 495 T HN 0.116 nan 8.240 nan 0.000 0.435 496 L N 0.754 121.730 121.223 -0.411 0.000 2.141 496 L HA -0.061 4.285 4.340 0.010 0.000 0.209 496 L C 2.493 179.191 176.870 -0.286 0.000 1.094 496 L CA 1.210 55.869 54.840 -0.301 0.000 0.763 496 L CB -0.508 41.388 42.059 -0.272 0.000 0.908 496 L HN 0.273 nan 8.230 nan 0.000 0.437 497 D N -0.476 119.721 120.400 -0.338 0.000 2.117 497 D HA -0.271 4.375 4.640 0.010 0.000 0.198 497 D C 2.099 178.240 176.300 -0.265 0.000 0.982 497 D CA 1.185 54.996 54.000 -0.316 0.000 0.828 497 D CB -0.049 40.558 40.800 -0.322 0.000 0.967 497 D HN 0.297 nan 8.370 nan 0.000 0.464 498 Y N 0.628 120.714 120.300 -0.356 0.000 2.163 498 Y HA -0.160 4.396 4.550 0.010 0.000 0.288 498 Y C 2.148 177.843 175.900 -0.341 0.000 1.136 498 Y CA 2.108 59.994 58.100 -0.357 0.000 1.147 498 Y CB -0.407 37.819 38.460 -0.390 0.000 0.987 498 Y HN 0.018 nan 8.280 nan 0.000 0.509 499 V N -2.818 116.977 119.914 -0.198 0.000 2.970 499 V HA -0.117 4.009 4.120 0.010 0.000 0.260 499 V C 1.878 177.829 176.094 -0.238 0.000 1.100 499 V CA 1.862 64.026 62.300 -0.228 0.000 1.122 499 V CB -0.880 30.868 31.823 -0.124 0.000 0.721 499 V HN 0.350 nan 8.190 nan 0.000 0.483 500 S N -0.324 115.230 115.700 -0.243 0.000 2.489 500 S HA 0.145 4.621 4.470 0.010 0.000 0.228 500 S C 1.050 175.521 174.600 -0.214 0.000 0.995 500 S CA 0.321 58.397 58.200 -0.207 0.000 0.934 500 S CB -0.234 62.849 63.200 -0.194 0.000 0.771 500 S HN 0.635 nan 8.310 nan 0.000 0.522 501 R N 2.007 122.334 120.500 -0.288 0.000 2.441 501 R HA 0.222 4.569 4.340 0.010 0.000 0.284 501 R C -0.523 175.677 176.300 -0.167 0.000 1.070 501 R CA -0.434 55.522 56.100 -0.239 0.000 1.047 501 R CB 0.373 30.467 30.300 -0.343 0.000 1.016 501 R HN 0.141 nan 8.270 nan 0.000 0.477 502 D N 2.479 122.869 120.400 -0.017 0.000 2.455 502 D HA 0.008 4.654 4.640 0.010 0.000 0.241 502 D C -1.512 174.742 176.300 -0.077 0.000 1.138 502 D CA -1.308 52.684 54.000 -0.015 0.000 0.877 502 D CB 1.040 41.887 40.800 0.078 0.000 1.187 502 D HN 0.144 nan 8.370 nan 0.000 0.451 503 P HA -0.220 nan 4.420 nan 0.000 0.217 503 P C 1.252 178.456 177.300 -0.160 0.000 1.151 503 P CA 1.354 64.387 63.100 -0.113 0.000 0.849 503 P CB -0.066 31.591 31.700 -0.071 0.000 0.787 504 V N -5.265 114.487 119.914 -0.270 0.000 3.241 504 V HA -0.149 3.977 4.120 0.010 0.000 0.269 504 V C 1.205 176.958 176.094 -0.568 0.000 1.151 504 V CA 1.560 63.609 62.300 -0.417 0.000 1.158 504 V CB -1.767 29.730 31.823 -0.544 0.000 0.764 504 V HN 0.096 nan 8.190 nan 0.000 0.508 505 Y N -0.185 119.983 120.300 -0.221 0.000 2.426 505 Y HA 0.442 4.998 4.550 0.010 0.000 0.249 505 Y C 2.426 178.196 175.900 -0.216 0.000 1.103 505 Y CA -0.607 57.307 58.100 -0.310 0.000 1.256 505 Y CB -0.076 38.331 38.460 -0.088 0.000 1.208 505 Y HN 0.075 nan 8.280 nan 0.000 0.519 506 R N -0.209 120.253 120.500 -0.063 0.000 2.139 506 R HA -0.159 4.187 4.340 0.010 0.000 0.243 506 R C 2.111 178.518 176.300 0.177 0.000 1.145 506 R CA 1.596 57.650 56.100 -0.078 0.000 0.976 506 R CB -0.373 29.786 30.300 -0.235 0.000 0.866 506 R HN 0.144 nan 8.270 nan 0.000 0.449 507 S N 0.138 115.882 115.700 0.074 0.000 2.387 507 S HA -0.160 4.316 4.470 0.010 0.000 0.230 507 S C 1.393 176.164 174.600 0.285 0.000 1.035 507 S CA 1.245 59.534 58.200 0.148 0.000 1.014 507 S CB -0.279 62.929 63.200 0.014 0.000 0.836 507 S HN 0.330 nan 8.310 nan 0.000 0.466 508 Y N 0.564 120.980 120.300 0.194 0.000 2.497 508 Y HA -0.016 4.540 4.550 0.010 0.000 0.292 508 Y C 1.506 177.352 175.900 -0.089 0.000 1.137 508 Y CA 0.482 58.602 58.100 0.034 0.000 1.285 508 Y CB -0.780 37.641 38.460 -0.065 0.000 0.991 508 Y HN 0.455 nan 8.280 nan 0.000 0.556 509 H N -3.495 115.810 119.070 0.391 0.000 2.662 509 H HA 0.158 4.720 4.556 0.010 0.000 0.268 509 H C 1.436 176.918 175.328 0.256 0.000 1.152 509 H CA -0.156 56.049 56.048 0.262 0.000 1.072 509 H CB -0.108 29.758 29.762 0.174 0.000 1.660 509 H HN 0.224 nan 8.280 nan 0.000 0.584 510 H N 1.154 120.436 119.070 0.355 0.000 2.319 510 H HA -0.197 4.366 4.556 0.010 0.000 0.297 510 H C 2.424 177.807 175.328 0.091 0.000 1.097 510 H CA 2.359 58.540 56.048 0.221 0.000 1.285 510 H CB 0.145 30.041 29.762 0.223 0.000 1.368 510 H HN 0.596 nan 8.280 nan 0.000 0.495 511 H N -0.316 118.874 119.070 0.200 0.000 2.456 511 H HA -0.101 4.461 4.556 0.010 0.000 0.296 511 H C 1.988 177.400 175.328 0.139 0.000 1.079 511 H CA 1.503 57.640 56.048 0.149 0.000 1.322 511 H CB -0.436 29.421 29.762 0.159 0.000 1.388 511 H HN 0.676 nan 8.280 nan 0.000 0.538 512 E N 0.372 120.178 120.200 -0.657 0.000 2.107 512 E HA -0.148 4.208 4.350 0.010 0.000 0.191 512 E C 2.187 178.674 176.600 -0.189 0.000 0.982 512 E CA 0.834 57.001 56.400 -0.387 0.000 0.809 512 E CB 0.011 29.538 29.700 -0.288 0.000 0.756 512 E HN 0.328 nan 8.360 nan 0.000 0.459 513 M N 0.717 120.113 119.600 -0.340 0.000 2.229 513 M HA -0.091 4.395 4.480 0.010 0.000 0.264 513 M C 2.037 178.216 176.300 -0.202 0.000 1.063 513 M CA 1.973 56.954 55.300 -0.531 0.000 1.114 513 M CB -0.052 31.803 32.600 -1.241 0.000 1.387 513 M HN 0.175 nan 8.290 nan 0.000 0.420 514 T N -2.830 111.668 114.554 -0.093 0.000 3.086 514 T HA 0.050 4.406 4.350 0.010 0.000 0.250 514 T C 1.443 176.252 174.700 0.180 0.000 1.074 514 T CA -0.176 62.008 62.100 0.140 0.000 0.988 514 T CB -0.894 68.004 68.868 0.050 0.000 0.988 514 T HN 0.299 nan 8.240 nan 0.000 0.530 515 F N 3.338 123.294 119.950 0.011 0.000 2.216 515 F HA -0.063 4.470 4.527 0.010 0.000 0.300 515 F C 2.563 178.344 175.800 -0.031 0.000 1.085 515 F CA 1.454 59.481 58.000 0.044 0.000 1.326 515 F CB -0.238 38.799 39.000 0.063 0.000 1.027 515 F HN 0.362 nan 8.300 nan 0.000 0.497 516 S N -0.262 115.442 115.700 0.005 0.000 2.400 516 S HA -0.242 4.235 4.470 0.010 0.000 0.232 516 S C 1.978 176.206 174.600 -0.620 0.000 1.025 516 S CA 1.230 59.201 58.200 -0.383 0.000 0.993 516 S CB -0.563 62.602 63.200 -0.057 0.000 0.808 516 S HN 0.290 nan 8.310 nan 0.000 0.478 517 M N 1.489 120.894 119.600 -0.325 0.000 2.358 517 M HA 0.126 4.612 4.480 0.010 0.000 0.264 517 M C 1.971 178.033 176.300 -0.398 0.000 1.064 517 M CA 0.827 55.850 55.300 -0.461 0.000 1.093 517 M CB -1.495 30.971 32.600 -0.223 0.000 1.401 517 M HN 0.393 nan 8.290 nan 0.000 0.440 518 L N -0.924 120.089 121.223 -0.350 0.000 2.265 518 L HA -0.182 4.164 4.340 0.010 0.000 0.215 518 L C 1.414 178.230 176.870 -0.089 0.000 1.117 518 L CA 1.032 55.745 54.840 -0.212 0.000 0.782 518 L CB -0.598 41.261 42.059 -0.333 0.000 0.914 518 L HN 0.436 nan 8.230 nan 0.000 0.441 519 Y N -4.505 115.698 120.300 -0.162 0.000 2.779 519 Y HA 0.608 5.164 4.550 0.010 0.000 0.251 519 Y C 1.582 177.451 175.900 -0.051 0.000 1.145 519 Y CA -0.274 57.798 58.100 -0.047 0.000 1.201 519 Y CB -0.868 37.603 38.460 0.019 0.000 1.281 519 Y HN -0.085 nan 8.280 nan 0.000 0.563 520 A N 0.373 122.851 122.820 -0.570 0.000 2.178 520 A HA 0.015 4.341 4.320 0.010 0.000 0.218 520 A C 0.735 178.041 177.584 -0.464 0.000 1.157 520 A CA 1.324 52.948 52.037 -0.689 0.000 0.689 520 A CB -0.980 17.306 19.000 -1.189 0.000 0.787 520 A HN 0.502 nan 8.150 nan 0.000 0.465 521 F N -0.727 119.293 119.950 0.117 0.000 2.683 521 F HA 0.134 4.667 4.527 0.010 0.000 0.306 521 F C 1.998 177.858 175.800 0.101 0.000 1.102 521 F CA 0.184 58.236 58.000 0.087 0.000 1.244 521 F CB -0.172 38.835 39.000 0.012 0.000 1.029 521 F HN 0.196 nan 8.300 nan 0.000 0.545 522 S N -1.335 114.539 115.700 0.289 0.000 2.561 522 S HA 0.122 4.598 4.470 0.010 0.000 0.225 522 S C 0.424 175.059 174.600 0.058 0.000 0.977 522 S CA 0.355 58.676 58.200 0.202 0.000 0.926 522 S CB 0.040 63.394 63.200 0.257 0.000 0.769 522 S HN 0.254 nan 8.310 nan 0.000 0.533 523 E N 0.469 120.605 120.200 -0.105 0.000 2.437 523 E HA 0.298 4.654 4.350 0.010 0.000 0.280 523 E C -1.656 174.709 176.600 -0.391 0.000 1.044 523 E CA -0.794 55.383 56.400 -0.372 0.000 0.826 523 E CB 0.695 29.934 29.700 -0.768 0.000 1.358 523 E HN 0.087 nan 8.360 nan 0.000 0.459 524 N N 1.425 119.964 118.700 -0.269 0.000 2.439 524 N HA 0.239 4.985 4.740 0.010 0.000 0.243 524 N C -0.995 174.431 175.510 -0.140 0.000 1.088 524 N CA 0.222 53.209 53.050 -0.106 0.000 0.940 524 N CB 0.023 38.498 38.487 -0.021 0.000 1.180 524 N HN 0.246 nan 8.380 nan 0.000 0.505 525 Y N 0.012 120.332 120.300 0.033 0.000 2.419 525 Y HA 0.457 5.013 4.550 0.010 0.000 0.328 525 Y C 0.569 176.435 175.900 -0.057 0.000 1.162 525 Y CA -0.950 57.150 58.100 0.001 0.000 1.174 525 Y CB 1.471 39.900 38.460 -0.051 0.000 1.228 525 Y HN 0.057 nan 8.280 nan 0.000 0.473 526 V N 4.104 124.105 119.914 0.145 0.000 2.409 526 V HA 0.276 4.402 4.120 0.010 0.000 0.291 526 V C -0.477 175.458 176.094 -0.264 0.000 1.020 526 V CA -0.947 61.308 62.300 -0.075 0.000 0.848 526 V CB 1.428 33.233 31.823 -0.028 0.000 0.990 526 V HN 0.539 nan 8.190 nan 0.000 0.430 527 L N 8.527 129.458 121.223 -0.487 0.000 2.278 527 L HA 0.461 4.807 4.340 0.010 0.000 0.287 527 L C -2.327 174.202 176.870 -0.569 0.000 1.072 527 L CA -1.194 53.182 54.840 -0.773 0.000 0.819 527 L CB 1.273 42.453 42.059 -1.465 0.000 1.176 527 L HN 0.428 nan 8.230 nan 0.000 0.435 528 P HA 0.427 nan 4.420 nan 0.000 0.301 528 P C -1.072 176.144 177.300 -0.140 0.000 1.361 528 P CA -0.649 62.154 63.100 -0.495 0.000 0.994 528 P CB 2.586 33.509 31.700 -1.294 0.000 1.234 529 L N 1.682 122.831 121.223 -0.124 0.000 2.488 529 L HA 0.249 4.595 4.340 0.010 0.000 0.250 529 L C 0.956 177.793 176.870 -0.054 0.000 1.280 529 L CA -0.313 54.522 54.840 -0.008 0.000 0.929 529 L CB 1.033 43.159 42.059 0.113 0.000 1.200 529 L HN 0.430 nan 8.230 nan 0.000 0.495 530 S N -1.500 114.116 115.700 -0.139 0.000 2.671 530 S HA 0.184 4.660 4.470 0.010 0.000 0.272 530 S C 1.515 175.946 174.600 -0.281 0.000 1.174 530 S CA -0.333 57.803 58.200 -0.107 0.000 1.004 530 S CB 0.559 63.768 63.200 0.016 0.000 1.077 530 S HN 0.652 nan 8.310 nan 0.000 0.553 531 H N 0.012 118.652 119.070 -0.716 0.000 2.421 531 H HA -0.057 4.505 4.556 0.010 0.000 0.298 531 H C 0.816 175.803 175.328 -0.567 0.000 1.087 531 H CA 1.617 56.859 56.048 -1.344 0.000 1.330 531 H CB -1.023 27.497 29.762 -2.069 0.000 1.388 531 H HN 0.609 nan 8.280 nan 0.000 0.526 532 D N 1.082 120.951 120.400 -0.884 0.000 2.263 532 D HA -0.089 4.558 4.640 0.010 0.000 0.208 532 D C 1.382 177.570 176.300 -0.187 0.000 0.971 532 D CA 0.706 54.447 54.000 -0.431 0.000 0.867 532 D CB 0.083 40.693 40.800 -0.318 0.000 0.929 532 D HN 0.498 nan 8.370 nan 0.000 0.492 533 E N 0.085 120.181 120.200 -0.174 0.000 2.479 533 E HA 0.001 4.358 4.350 0.010 0.000 0.193 533 E C 1.316 177.881 176.600 -0.058 0.000 1.049 533 E CA 0.136 56.487 56.400 -0.082 0.000 0.870 533 E CB 0.614 30.276 29.700 -0.064 0.000 0.944 533 E HN 0.227 nan 8.360 nan 0.000 0.492 534 V N -1.507 118.358 119.914 -0.081 0.000 2.854 534 V HA 0.389 4.515 4.120 0.010 0.000 0.366 534 V C 0.184 176.288 176.094 0.016 0.000 1.322 534 V CA -0.681 61.614 62.300 -0.007 0.000 1.243 534 V CB -0.169 31.676 31.823 0.038 0.000 1.337 534 V HN -0.097 nan 8.190 nan 0.000 0.585 535 V N -3.912 115.981 119.914 -0.035 0.000 3.202 535 V HA 0.667 4.793 4.120 0.010 0.000 0.306 535 V C 0.147 176.232 176.094 -0.017 0.000 1.283 535 V CA -0.926 61.324 62.300 -0.083 0.000 1.065 535 V CB 1.297 32.956 31.823 -0.274 0.000 1.079 535 V HN 0.624 nan 8.190 nan 0.000 0.448 536 H N 0.632 119.776 119.070 0.123 0.000 2.677 536 H HA -0.098 4.464 4.556 0.010 0.000 0.321 536 H C 1.384 176.748 175.328 0.060 0.000 1.171 536 H CA 0.873 56.974 56.048 0.090 0.000 1.139 536 H CB -1.267 28.553 29.762 0.097 0.000 1.515 536 H HN 2.123 nan 8.280 nan 0.000 0.423 537 G N -0.245 108.648 108.800 0.156 0.000 2.184 537 G HA2 -0.415 3.551 3.960 0.010 0.000 0.264 537 G HA3 -0.415 3.551 3.960 0.010 0.000 0.264 537 G C 1.096 176.040 174.900 0.072 0.000 0.975 537 G CA 0.806 45.965 45.100 0.098 0.000 0.642 537 G HN 0.566 nan 8.290 nan 0.000 0.536 538 K N 0.629 121.072 120.400 0.072 0.000 2.432 538 K HA 0.382 4.708 4.320 0.010 0.000 0.196 538 K C 1.574 178.191 176.600 0.028 0.000 1.038 538 K CA 0.502 56.812 56.287 0.038 0.000 0.986 538 K CB -0.004 32.513 32.500 0.028 0.000 0.782 538 K HN 1.521 nan 8.250 nan 0.000 0.485 539 G N 1.620 110.449 108.800 0.049 0.000 2.814 539 G HA2 -0.268 3.698 3.960 0.010 0.000 0.677 539 G HA3 -0.268 3.698 3.960 0.010 0.000 0.677 539 G C 0.048 174.985 174.900 0.060 0.000 1.429 539 G CA -0.340 44.796 45.100 0.060 0.000 0.868 539 G HN 0.242 nan 8.290 nan 0.000 0.553 540 T N -1.372 113.237 114.554 0.092 0.000 2.814 540 T HA 0.631 4.987 4.350 0.010 0.000 0.284 540 T C 2.052 176.807 174.700 0.091 0.000 0.998 540 T CA 0.006 62.164 62.100 0.097 0.000 0.935 540 T CB 0.875 69.820 68.868 0.128 0.000 1.167 540 T HN 0.805 nan 8.240 nan 0.000 0.545 541 L N -0.718 120.562 121.223 0.096 0.000 2.093 541 L HA 0.005 4.351 4.340 0.010 0.000 0.208 541 L C 2.614 179.543 176.870 0.099 0.000 1.085 541 L CA 1.185 56.071 54.840 0.076 0.000 0.755 541 L CB -0.520 41.591 42.059 0.087 0.000 0.904 541 L HN 0.729 nan 8.230 nan 0.000 0.435 542 W N 1.589 122.881 121.300 -0.014 0.000 2.355 542 W HA -0.125 4.541 4.660 0.010 0.000 0.309 542 W C 1.993 178.506 176.519 -0.010 0.000 1.206 542 W CA 1.772 59.110 57.345 -0.011 0.000 1.284 542 W CB -0.522 28.938 29.460 0.000 0.000 1.145 542 W HN 0.163 nan 8.180 nan 0.000 0.502 543 G N 1.025 109.967 108.800 0.238 0.000 2.432 543 G HA2 -0.279 3.688 3.960 0.010 0.000 0.219 543 G HA3 -0.279 3.688 3.960 0.010 0.000 0.219 543 G C 1.704 176.583 174.900 -0.034 0.000 1.135 543 G CA 0.742 45.916 45.100 0.123 0.000 0.767 543 G HN 0.294 nan 8.290 nan 0.000 0.550 544 R N -0.838 119.632 120.500 -0.049 0.000 2.148 544 R HA 0.133 4.479 4.340 0.010 0.000 0.223 544 R C 0.654 176.865 176.300 -0.148 0.000 1.088 544 R CA 0.162 56.208 56.100 -0.090 0.000 0.985 544 R CB -0.156 30.094 30.300 -0.083 0.000 0.880 544 R HN 0.272 nan 8.270 nan 0.000 0.451 545 M N 2.472 121.944 119.600 -0.213 0.000 2.239 545 M HA 0.121 4.607 4.480 0.010 0.000 0.348 545 M C -2.033 174.107 176.300 -0.267 0.000 1.239 545 M CA -2.514 52.628 55.300 -0.263 0.000 1.114 545 M CB 0.014 32.388 32.600 -0.376 0.000 1.641 545 M HN -0.085 nan 8.290 nan 0.000 0.453 546 P HA 0.578 nan 4.420 nan 0.000 0.281 546 P C 0.125 177.319 177.300 -0.177 0.000 1.264 546 P CA 0.107 63.109 63.100 -0.164 0.000 0.824 546 P CB 1.351 32.978 31.700 -0.121 0.000 1.092 547 G N 1.224 109.944 108.800 -0.134 0.000 2.610 547 G HA2 -0.129 3.837 3.960 0.010 0.000 0.304 547 G HA3 -0.129 3.837 3.960 0.010 0.000 0.304 547 G C -0.493 174.335 174.900 -0.120 0.000 1.309 547 G CA -0.281 44.749 45.100 -0.116 0.000 0.906 547 G HN 0.948 nan 8.290 nan 0.000 0.521 548 N N 0.246 118.897 118.700 -0.081 0.000 2.322 548 N HA 0.256 5.002 4.740 0.010 0.000 0.270 548 N C 1.273 176.723 175.510 -0.099 0.000 1.286 548 N CA 0.189 53.215 53.050 -0.040 0.000 0.948 548 N CB 0.063 38.559 38.487 0.015 0.000 1.164 548 N HN 0.503 nan 8.380 nan 0.000 0.551 549 N N -0.816 117.893 118.700 0.014 0.000 2.094 549 N HA -0.240 4.506 4.740 0.010 0.000 0.191 549 N C 1.396 176.609 175.510 -0.495 0.000 1.023 549 N CA 1.204 54.267 53.050 0.022 0.000 0.857 549 N CB -0.779 37.938 38.487 0.383 0.000 1.013 549 N HN 0.649 nan 8.380 nan 0.000 0.426 550 H N 0.813 119.568 119.070 -0.526 0.000 2.357 550 H HA 0.028 4.590 4.556 0.010 0.000 0.301 550 H C 1.724 176.785 175.328 -0.445 0.000 1.082 550 H CA 1.074 56.705 56.048 -0.696 0.000 1.342 550 H CB 0.146 29.825 29.762 -0.139 0.000 1.389 550 H HN -0.046 nan 8.280 nan 0.000 0.511 551 V N 1.121 120.927 119.914 -0.180 0.000 2.591 551 V HA -0.145 3.981 4.120 0.010 0.000 0.249 551 V C 2.514 178.414 176.094 -0.324 0.000 1.053 551 V CA 1.354 63.553 62.300 -0.169 0.000 1.068 551 V CB -0.281 31.490 31.823 -0.087 0.000 0.689 551 V HN 0.292 nan 8.190 nan 0.000 0.462 552 K N 0.509 120.605 120.400 -0.508 0.000 2.026 552 K HA -0.116 4.211 4.320 0.010 0.000 0.208 552 K C 2.346 178.557 176.600 -0.648 0.000 1.048 552 K CA 1.489 57.324 56.287 -0.753 0.000 0.929 552 K CB -0.400 31.225 32.500 -1.459 0.000 0.713 552 K HN 0.455 nan 8.250 nan 0.000 0.439 553 A N 1.503 123.972 122.820 -0.585 0.000 1.902 553 A HA -0.146 4.181 4.320 0.010 0.000 0.217 553 A C 2.364 179.852 177.584 -0.160 0.000 1.181 553 A CA 1.948 53.879 52.037 -0.176 0.000 0.623 553 A CB -0.719 18.157 19.000 -0.207 0.000 0.818 553 A HN 0.350 nan 8.150 nan 0.000 0.443 554 A N -0.535 122.125 122.820 -0.268 0.000 1.902 554 A HA 0.133 4.459 4.320 0.010 0.000 0.217 554 A C 2.422 179.951 177.584 -0.092 0.000 1.181 554 A CA 1.922 53.858 52.037 -0.170 0.000 0.623 554 A CB -1.393 17.500 19.000 -0.179 0.000 0.818 554 A HN 0.738 nan 8.150 nan 0.000 0.443 555 G N -0.253 108.481 108.800 -0.110 0.000 2.418 555 G HA2 -0.142 3.824 3.960 0.010 0.000 0.217 555 G HA3 -0.142 3.824 3.960 0.010 0.000 0.217 555 G C 1.464 176.370 174.900 0.010 0.000 1.158 555 G CA 1.228 46.308 45.100 -0.033 0.000 0.771 555 G HN 0.473 nan 8.290 nan 0.000 0.545 556 L N 0.784 121.989 121.223 -0.031 0.000 2.056 556 L HA 0.101 4.447 4.340 0.010 0.000 0.207 556 L C 2.794 179.694 176.870 0.050 0.000 1.078 556 L CA 1.489 56.352 54.840 0.038 0.000 0.749 556 L CB -0.672 41.440 42.059 0.087 0.000 0.901 556 L HN 0.145 nan 8.230 nan 0.000 0.433 557 R N -1.066 119.433 120.500 -0.002 0.000 2.120 557 R HA -0.094 4.252 4.340 0.010 0.000 0.234 557 R C 2.232 178.525 176.300 -0.011 0.000 1.123 557 R CA 1.359 57.416 56.100 -0.071 0.000 0.975 557 R CB -0.446 29.759 30.300 -0.159 0.000 0.866 557 R HN 0.388 nan 8.270 nan 0.000 0.446 558 S N 1.304 117.046 115.700 0.070 0.000 2.355 558 S HA -0.110 4.366 4.470 0.010 0.000 0.222 558 S C 1.821 176.653 174.600 0.387 0.000 1.031 558 S CA 0.895 59.222 58.200 0.211 0.000 0.993 558 S CB -0.219 63.103 63.200 0.203 0.000 0.859 558 S HN 0.176 nan 8.310 nan 0.000 0.453 559 L N 2.227 123.641 121.223 0.319 0.000 1.989 559 L HA -0.054 4.292 4.340 0.010 0.000 0.211 559 L C 1.948 179.075 176.870 0.428 0.000 1.071 559 L CA 1.727 56.785 54.840 0.363 0.000 0.749 559 L CB -0.789 41.404 42.059 0.223 0.000 0.890 559 L HN 0.285 nan 8.230 nan 0.000 0.431 560 L N -0.538 120.861 121.223 0.294 0.000 2.046 560 L HA -0.186 4.160 4.340 0.010 0.000 0.208 560 L C 2.725 179.806 176.870 0.353 0.000 1.077 560 L CA 1.248 56.256 54.840 0.279 0.000 0.747 560 L CB -1.138 40.920 42.059 -0.000 0.000 0.896 560 L HN 0.418 nan 8.230 nan 0.000 0.432 561 A N -0.519 122.476 122.820 0.291 0.000 1.908 561 A HA -0.297 4.029 4.320 0.010 0.000 0.218 561 A C 2.218 180.369 177.584 0.946 0.000 1.181 561 A CA 1.737 54.070 52.037 0.494 0.000 0.627 561 A CB -0.922 18.245 19.000 0.279 0.000 0.818 561 A HN 0.492 nan 8.150 nan 0.000 0.445 562 Y N 0.363 121.052 120.300 0.649 0.000 2.181 562 Y HA -0.242 4.314 4.550 0.010 0.000 0.288 562 Y C 2.555 178.721 175.900 0.442 0.000 1.146 562 Y CA 2.253 60.507 58.100 0.257 0.000 1.164 562 Y CB -0.502 37.950 38.460 -0.014 0.000 0.982 562 Y HN 0.518 nan 8.280 nan 0.000 0.515 563 Q N -0.615 119.460 119.800 0.458 0.000 2.084 563 Q HA -0.247 4.100 4.340 0.010 0.000 0.202 563 Q C 2.263 178.355 176.000 0.152 0.000 0.978 563 Q CA 2.073 58.034 55.803 0.264 0.000 0.844 563 Q CB -0.684 28.341 28.738 0.478 0.000 0.898 563 Q HN 0.714 nan 8.270 nan 0.000 0.426 564 W N -0.218 121.162 121.300 0.132 0.000 2.381 564 W HA -0.071 4.595 4.660 0.010 0.000 0.301 564 W C 2.201 178.808 176.519 0.147 0.000 1.205 564 W CA 0.978 58.404 57.345 0.133 0.000 1.285 564 W CB -0.037 29.613 29.460 0.317 0.000 1.133 564 W HN 0.376 nan 8.180 nan 0.000 0.521 565 A N -1.101 121.984 122.820 0.441 0.000 1.970 565 A HA -0.119 4.208 4.320 0.010 0.000 0.216 565 A C 0.996 178.738 177.584 0.264 0.000 1.170 565 A CA 0.708 52.887 52.037 0.237 0.000 0.645 565 A CB -1.030 18.171 19.000 0.335 0.000 0.816 565 A HN 0.161 nan 8.150 nan 0.000 0.447 566 H N 0.942 119.985 119.070 -0.045 0.000 2.848 566 H HA 0.183 4.745 4.556 0.010 0.000 0.341 566 H C -2.611 172.510 175.328 -0.346 0.000 1.060 566 H CA -1.754 54.076 56.048 -0.364 0.000 1.444 566 H CB 0.527 29.871 29.762 -0.697 0.000 1.446 566 H HN 0.023 nan 8.280 nan 0.000 0.583 567 P HA 0.088 nan 4.420 nan 0.000 0.261 567 P C -0.367 176.854 177.300 -0.130 0.000 1.173 567 P CA 1.165 64.133 63.100 -0.221 0.000 0.760 567 P CB 0.366 31.839 31.700 -0.379 0.000 0.783 568 G N 1.393 110.160 108.800 -0.056 0.000 2.484 568 G HA2 0.009 3.975 3.960 0.010 0.000 0.685 568 G HA3 0.009 3.975 3.960 0.010 0.000 0.685 568 G C -1.163 173.666 174.900 -0.119 0.000 1.294 568 G CA -1.006 44.047 45.100 -0.079 0.000 0.879 568 G HN 0.310 nan 8.290 nan 0.000 0.646 569 K N 0.165 120.503 120.400 -0.104 0.000 2.118 569 K HA 0.589 4.916 4.320 0.010 0.000 0.240 569 K C 0.434 176.818 176.600 -0.360 0.000 1.035 569 K CA -0.082 56.114 56.287 -0.150 0.000 0.899 569 K CB 0.506 32.956 32.500 -0.084 0.000 1.085 569 K HN 0.656 nan 8.250 nan 0.000 0.498 570 Q N -0.078 119.439 119.800 -0.471 0.000 2.413 570 Q HA 0.673 5.019 4.340 0.010 0.000 0.276 570 Q C -1.131 174.633 176.000 -0.393 0.000 1.099 570 Q CA -0.630 54.808 55.803 -0.608 0.000 0.814 570 Q CB 2.407 30.436 28.738 -1.182 0.000 1.379 570 Q HN 0.464 nan 8.270 nan 0.000 0.436 571 L N 1.964 122.991 121.223 -0.327 0.000 2.470 571 L HA 0.715 5.062 4.340 0.010 0.000 0.268 571 L C -2.133 174.689 176.870 -0.080 0.000 0.964 571 L CA -0.978 53.750 54.840 -0.186 0.000 0.839 571 L CB 1.572 43.462 42.059 -0.281 0.000 1.276 571 L HN 0.655 nan 8.230 nan 0.000 0.403 572 L N 4.603 125.857 121.223 0.051 0.000 2.409 572 L HA 0.546 4.893 4.340 0.010 0.000 0.272 572 L C -1.271 175.633 176.870 0.057 0.000 0.980 572 L CA -0.165 54.764 54.840 0.149 0.000 0.826 572 L CB 1.711 44.010 42.059 0.400 0.000 1.268 572 L HN 0.556 nan 8.230 nan 0.000 0.407 573 F N 6.122 125.994 119.950 -0.131 0.000 2.443 573 F HA 0.404 4.937 4.527 0.010 0.000 0.353 573 F C 0.756 176.360 175.800 -0.328 0.000 1.101 573 F CA -0.700 57.131 58.000 -0.283 0.000 1.226 573 F CB 0.757 39.596 39.000 -0.269 0.000 1.140 573 F HN 0.663 nan 8.300 nan 0.000 0.557 574 M N 4.489 123.291 119.600 -1.330 0.000 2.219 574 M HA 0.214 4.700 4.480 0.010 0.000 0.340 574 M C 1.093 176.910 176.300 -0.805 0.000 1.135 574 M CA 1.114 55.811 55.300 -1.005 0.000 0.976 574 M CB -0.750 31.232 32.600 -1.029 0.000 1.713 574 M HN 0.999 nan 8.290 nan 0.000 0.457 575 G N 0.848 109.289 108.800 -0.598 0.000 2.417 575 G HA2 -0.264 3.702 3.960 0.010 0.000 0.233 575 G HA3 -0.264 3.702 3.960 0.010 0.000 0.233 575 G C 0.866 175.151 174.900 -1.025 0.000 1.103 575 G CA 0.346 44.799 45.100 -1.078 0.000 0.647 575 G HN 0.714 nan 8.290 nan 0.000 0.512 576 Q N 0.952 120.481 119.800 -0.452 0.000 2.369 576 Q HA 0.009 4.355 4.340 0.010 0.000 0.206 576 Q C 2.409 178.337 176.000 -0.121 0.000 0.963 576 Q CA 1.537 57.208 55.803 -0.221 0.000 0.894 576 Q CB -0.190 28.538 28.738 -0.017 0.000 0.965 576 Q HN 0.911 nan 8.270 nan 0.000 0.475 577 E N 0.412 120.584 120.200 -0.046 0.000 2.338 577 E HA -0.145 4.211 4.350 0.010 0.000 0.197 577 E C 0.841 177.520 176.600 0.132 0.000 1.007 577 E CA 0.627 57.111 56.400 0.142 0.000 0.849 577 E CB -0.302 29.615 29.700 0.361 0.000 0.774 577 E HN 0.467 nan 8.360 nan 0.000 0.506 578 F N -1.307 118.670 119.950 0.046 0.000 2.735 578 F HA 0.677 5.210 4.527 0.010 0.000 0.304 578 F C 0.940 176.716 175.800 -0.040 0.000 1.119 578 F CA -0.777 57.223 58.000 -0.000 0.000 1.280 578 F CB 0.347 39.327 39.000 -0.034 0.000 0.994 578 F HN -0.025 nan 8.300 nan 0.000 0.520 579 G N 1.612 110.372 108.800 -0.067 0.000 2.314 579 G HA2 -0.359 3.607 3.960 0.010 0.000 0.292 579 G HA3 -0.359 3.607 3.960 0.010 0.000 0.292 579 G C 0.041 174.839 174.900 -0.170 0.000 1.059 579 G CA 0.440 45.540 45.100 0.000 0.000 0.982 579 G HN 0.849 nan 8.290 nan 0.000 0.505 580 Q N -0.584 118.984 119.800 -0.388 0.000 2.269 580 Q HA 0.219 4.565 4.340 0.010 0.000 0.300 580 Q C 1.832 177.732 176.000 -0.167 0.000 1.070 580 Q CA 0.278 55.894 55.803 -0.312 0.000 0.957 580 Q CB 0.381 28.859 28.738 -0.433 0.000 1.131 580 Q HN 0.638 nan 8.270 nan 0.000 0.377 581 R N 2.793 123.173 120.500 -0.200 0.000 2.062 581 R HA 0.095 4.441 4.340 0.010 0.000 0.226 581 R C 0.364 176.698 176.300 0.055 0.000 1.125 581 R CA 0.787 56.810 56.100 -0.128 0.000 0.966 581 R CB 0.016 30.166 30.300 -0.249 0.000 0.861 581 R HN 0.632 nan 8.270 nan 0.000 0.433 582 A N 1.879 124.731 122.820 0.054 0.000 2.316 582 A HA 0.161 4.487 4.320 0.010 0.000 0.284 582 A C -0.348 177.292 177.584 0.094 0.000 1.115 582 A CA -0.468 51.624 52.037 0.091 0.000 0.812 582 A CB 0.363 19.427 19.000 0.107 0.000 1.064 582 A HN 0.190 nan 8.150 nan 0.000 0.489 583 E N 0.365 120.626 120.200 0.102 0.000 2.467 583 E HA -0.051 4.305 4.350 0.010 0.000 0.264 583 E C -0.420 176.273 176.600 0.155 0.000 1.020 583 E CA 0.284 56.754 56.400 0.116 0.000 0.945 583 E CB 0.404 30.159 29.700 0.091 0.000 0.942 583 E HN 0.632 nan 8.360 nan 0.000 0.449 584 W N 2.902 124.197 121.300 -0.008 0.000 2.193 584 W HA 0.040 4.706 4.660 0.010 0.000 0.338 584 W C -0.284 176.230 176.519 -0.009 0.000 1.310 584 W CA -0.088 57.257 57.345 -0.000 0.000 1.243 584 W CB 0.611 30.102 29.460 0.051 0.000 1.165 584 W HN 0.189 nan 8.180 nan 0.000 0.566 585 S N 4.230 119.652 115.700 -0.462 0.000 2.779 585 S HA 0.179 4.655 4.470 0.010 0.000 0.293 585 S C 0.554 174.772 174.600 -0.637 0.000 1.150 585 S CA -0.351 57.521 58.200 -0.547 0.000 1.057 585 S CB 0.583 63.693 63.200 -0.151 0.000 1.021 585 S HN 0.573 nan 8.310 nan 0.000 0.485 586 E N 3.955 123.597 120.200 -0.930 0.000 2.338 586 E HA -0.124 4.232 4.350 0.010 0.000 0.197 586 E C 1.322 177.896 176.600 -0.044 0.000 1.007 586 E CA 1.134 57.306 56.400 -0.379 0.000 0.849 586 E CB -0.135 29.295 29.700 -0.451 0.000 0.774 586 E HN 0.768 nan 8.360 nan 0.000 0.506 587 Q N 0.065 119.818 119.800 -0.077 0.000 2.269 587 Q HA 0.130 4.477 4.340 0.010 0.000 0.201 587 Q C 1.941 177.970 176.000 0.049 0.000 0.946 587 Q CA 0.765 56.578 55.803 0.016 0.000 0.877 587 Q CB 0.137 28.881 28.738 0.009 0.000 0.963 587 Q HN 0.309 nan 8.270 nan 0.000 0.472 588 R N -0.219 120.305 120.500 0.040 0.000 2.206 588 R HA 0.195 4.542 4.340 0.010 0.000 0.198 588 R C 0.657 177.031 176.300 0.124 0.000 0.986 588 R CA 0.588 56.734 56.100 0.077 0.000 1.029 588 R CB 0.813 31.155 30.300 0.071 0.000 0.966 588 R HN 0.196 nan 8.270 nan 0.000 0.487 589 G N 1.073 109.964 108.800 0.152 0.000 2.655 589 G HA2 -0.199 3.767 3.960 0.010 0.000 0.680 589 G HA3 -0.199 3.767 3.960 0.010 0.000 0.680 589 G C -0.662 174.358 174.900 0.201 0.000 1.302 589 G CA -1.011 44.218 45.100 0.216 0.000 0.872 589 G HN 0.032 nan 8.290 nan 0.000 0.540 590 L N 0.292 121.605 121.223 0.150 0.000 2.436 590 L HA 0.275 4.621 4.340 0.010 0.000 0.265 590 L C 0.277 177.073 176.870 -0.124 0.000 1.168 590 L CA -0.546 54.244 54.840 -0.082 0.000 0.815 590 L CB 0.510 42.290 42.059 -0.465 0.000 1.109 590 L HN 0.493 nan 8.230 nan 0.000 0.462 591 D N 2.030 122.341 120.400 -0.148 0.000 2.688 591 D HA 0.000 4.646 4.640 0.010 0.000 0.228 591 D C 0.687 176.657 176.300 -0.551 0.000 1.116 591 D CA 0.171 54.022 54.000 -0.247 0.000 1.023 591 D CB 0.044 40.667 40.800 -0.296 0.000 1.100 591 D HN 0.464 nan 8.370 nan 0.000 0.487 592 W N 0.283 121.403 121.300 -0.301 0.000 2.392 592 W HA -0.170 4.496 4.660 0.010 0.000 0.279 592 W C 2.045 178.251 176.519 -0.522 0.000 1.225 592 W CA 0.046 57.080 57.345 -0.518 0.000 1.233 592 W CB -0.615 28.635 29.460 -0.351 0.000 1.122 592 W HN 0.298 nan 8.180 nan 0.000 0.561 593 F N 0.323 120.286 119.950 0.020 0.000 2.287 593 F HA -0.231 4.302 4.527 0.010 0.000 0.301 593 F C 1.877 177.634 175.800 -0.072 0.000 1.069 593 F CA 1.397 59.385 58.000 -0.019 0.000 1.372 593 F CB -1.511 37.488 39.000 -0.001 0.000 1.056 593 F HN 0.026 nan 8.300 nan 0.000 0.523 594 Q N 0.831 120.141 119.800 -0.817 0.000 2.234 594 Q HA -0.103 4.243 4.340 0.010 0.000 0.206 594 Q C 2.142 177.986 176.000 -0.259 0.000 0.980 594 Q CA 1.416 56.942 55.803 -0.462 0.000 0.869 594 Q CB -0.316 28.131 28.738 -0.484 0.000 0.912 594 Q HN 0.569 nan 8.270 nan 0.000 0.436 595 L N 0.428 121.444 121.223 -0.344 0.000 2.610 595 L HA -0.097 4.249 4.340 0.010 0.000 0.232 595 L C 0.907 177.733 176.870 -0.074 0.000 1.149 595 L CA 0.381 55.098 54.840 -0.205 0.000 0.872 595 L CB 0.052 41.976 42.059 -0.225 0.000 0.992 595 L HN 0.145 nan 8.230 nan 0.000 0.447 596 D N -0.738 119.643 120.400 -0.031 0.000 2.407 596 D HA 0.067 4.713 4.640 0.010 0.000 0.208 596 D C 0.622 176.941 176.300 0.032 0.000 1.083 596 D CA 0.164 54.174 54.000 0.016 0.000 0.844 596 D CB 0.603 41.432 40.800 0.048 0.000 0.967 596 D HN 0.395 nan 8.370 nan 0.000 0.506 597 E N 0.634 120.857 120.200 0.039 0.000 2.376 597 E HA 0.141 4.497 4.350 0.010 0.000 0.254 597 E C 0.226 176.828 176.600 0.004 0.000 1.213 597 E CA -0.203 56.222 56.400 0.041 0.000 0.945 597 E CB 0.844 30.583 29.700 0.065 0.000 1.057 597 E HN -0.080 nan 8.360 nan 0.000 0.479 598 N N -0.110 118.582 118.700 -0.013 0.000 2.575 598 N HA 0.108 4.854 4.740 0.010 0.000 0.275 598 N C -0.220 175.213 175.510 -0.127 0.000 1.202 598 N CA -0.480 52.534 53.050 -0.060 0.000 0.945 598 N CB 0.195 38.647 38.487 -0.058 0.000 1.247 598 N HN 0.445 nan 8.380 nan 0.000 0.510 599 G N -0.645 108.098 108.800 -0.094 0.000 2.782 599 G HA2 0.243 4.209 3.960 0.010 0.000 0.201 599 G HA3 0.243 4.209 3.960 0.010 0.000 0.201 599 G C 0.019 174.779 174.900 -0.233 0.000 1.374 599 G CA -0.302 44.707 45.100 -0.152 0.000 1.039 599 G HN 0.214 nan 8.290 nan 0.000 0.576 600 F N -0.144 119.901 119.950 0.158 0.000 2.695 600 F HA 0.193 4.726 4.527 0.010 0.000 0.303 600 F C 2.728 178.615 175.800 0.144 0.000 1.091 600 F CA 0.163 58.301 58.000 0.229 0.000 1.300 600 F CB 0.606 39.779 39.000 0.288 0.000 1.071 600 F HN 0.172 nan 8.300 nan 0.000 0.578 601 S N 0.438 116.251 115.700 0.189 0.000 2.370 601 S HA -0.193 4.283 4.470 0.010 0.000 0.226 601 S C 1.913 176.591 174.600 0.130 0.000 1.033 601 S CA 1.363 59.648 58.200 0.143 0.000 1.011 601 S CB -0.351 62.881 63.200 0.054 0.000 0.852 601 S HN 0.456 nan 8.310 nan 0.000 0.457 602 N N 1.223 119.966 118.700 0.071 0.000 2.223 602 N HA -0.074 4.673 4.740 0.010 0.000 0.185 602 N C 1.931 177.450 175.510 0.015 0.000 1.016 602 N CA 1.225 54.296 53.050 0.036 0.000 0.863 602 N CB -0.473 38.021 38.487 0.013 0.000 0.983 602 N HN 0.504 nan 8.380 nan 0.000 0.429 603 G N 1.271 110.069 108.800 -0.003 0.000 2.422 603 G HA2 -0.111 3.856 3.960 0.010 0.000 0.218 603 G HA3 -0.111 3.856 3.960 0.010 0.000 0.218 603 G C 1.651 176.602 174.900 0.086 0.000 1.140 603 G CA 0.163 45.253 45.100 -0.018 0.000 0.775 603 G HN 0.206 nan 8.290 nan 0.000 0.545 604 I N -0.068 120.569 120.570 0.112 0.000 2.286 604 I HA -0.125 4.051 4.170 0.010 0.000 0.245 604 I C 2.787 178.925 176.117 0.035 0.000 1.104 604 I CA 1.030 62.370 61.300 0.067 0.000 1.397 604 I CB -0.165 37.919 38.000 0.140 0.000 1.072 604 I HN 0.201 nan 8.210 nan 0.000 0.417 605 Q N 1.189 121.052 119.800 0.105 0.000 2.124 605 Q HA -0.254 4.092 4.340 0.010 0.000 0.202 605 Q C 2.369 178.387 176.000 0.029 0.000 0.977 605 Q CA 1.502 57.372 55.803 0.112 0.000 0.850 605 Q CB 0.006 28.858 28.738 0.190 0.000 0.901 605 Q HN 0.357 nan 8.270 nan 0.000 0.429 606 R N 0.036 120.560 120.500 0.040 0.000 2.075 606 R HA -0.148 4.198 4.340 0.010 0.000 0.232 606 R C 2.386 178.708 176.300 0.037 0.000 1.126 606 R CA 1.163 57.299 56.100 0.061 0.000 0.963 606 R CB -0.259 30.110 30.300 0.114 0.000 0.858 606 R HN 0.348 nan 8.270 nan 0.000 0.435 607 L N 0.500 121.652 121.223 -0.119 0.000 2.046 607 L HA -0.129 4.217 4.340 0.010 0.000 0.208 607 L C 1.992 178.620 176.870 -0.403 0.000 1.077 607 L CA 1.422 55.962 54.840 -0.499 0.000 0.747 607 L CB -0.216 41.390 42.059 -0.756 0.000 0.896 607 L HN -0.002 nan 8.230 nan 0.000 0.432 608 V N 0.010 119.730 119.914 -0.323 0.000 2.343 608 V HA -0.289 3.837 4.120 0.010 0.000 0.247 608 V C 2.748 178.617 176.094 -0.374 0.000 1.051 608 V CA 2.102 64.154 62.300 -0.414 0.000 1.036 608 V CB -0.762 30.926 31.823 -0.226 0.000 0.654 608 V HN 0.463 nan 8.190 nan 0.000 0.451 609 R N -0.156 120.209 120.500 -0.225 0.000 2.073 609 R HA -0.172 4.174 4.340 0.010 0.000 0.234 609 R C 2.125 178.345 176.300 -0.133 0.000 1.134 609 R CA 1.873 57.871 56.100 -0.170 0.000 0.952 609 R CB -0.482 29.763 30.300 -0.091 0.000 0.850 609 R HN 0.525 nan 8.270 nan 0.000 0.433 610 D N 0.685 121.015 120.400 -0.116 0.000 2.117 610 D HA -0.136 4.511 4.640 0.010 0.000 0.198 610 D C 1.913 178.140 176.300 -0.121 0.000 0.982 610 D CA 1.291 55.246 54.000 -0.075 0.000 0.828 610 D CB -0.218 40.578 40.800 -0.007 0.000 0.967 610 D HN 0.381 nan 8.370 nan 0.000 0.464 611 I N -1.357 119.038 120.570 -0.290 0.000 2.394 611 I HA -0.125 4.051 4.170 0.010 0.000 0.251 611 I C 1.758 177.887 176.117 0.021 0.000 1.136 611 I CA 1.014 62.162 61.300 -0.253 0.000 1.425 611 I CB -0.302 37.318 38.000 -0.633 0.000 1.079 611 I HN -0.210 nan 8.210 nan 0.000 0.425 612 N N 1.596 120.249 118.700 -0.077 0.000 2.188 612 N HA -0.212 4.534 4.740 0.010 0.000 0.184 612 N C 1.581 177.250 175.510 0.265 0.000 1.018 612 N CA 2.003 55.155 53.050 0.170 0.000 0.858 612 N CB -0.362 38.056 38.487 -0.114 0.000 0.989 612 N HN 0.553 nan 8.380 nan 0.000 0.426 613 D N 0.433 120.919 120.400 0.143 0.000 2.117 613 D HA -0.005 4.641 4.640 0.010 0.000 0.198 613 D C 2.050 178.505 176.300 0.258 0.000 0.982 613 D CA 0.742 54.842 54.000 0.166 0.000 0.828 613 D CB -0.015 40.841 40.800 0.094 0.000 0.967 613 D HN 0.193 nan 8.370 nan 0.000 0.464 614 I N -0.426 120.300 120.570 0.261 0.000 2.252 614 I HA -0.217 3.959 4.170 0.010 0.000 0.245 614 I C 2.016 178.384 176.117 0.419 0.000 1.102 614 I CA 0.826 62.284 61.300 0.264 0.000 1.385 614 I CB -0.417 37.702 38.000 0.198 0.000 1.064 614 I HN 0.129 nan 8.210 nan 0.000 0.414 615 Y N 2.060 122.596 120.300 0.394 0.000 2.053 615 Y HA -0.320 4.236 4.550 0.010 0.000 0.277 615 Y C 2.763 179.006 175.900 0.571 0.000 1.159 615 Y CA 1.752 60.149 58.100 0.494 0.000 1.125 615 Y CB -0.376 38.439 38.460 0.591 0.000 0.969 615 Y HN -0.059 nan 8.280 nan 0.000 0.492 616 R N -1.209 119.566 120.500 0.458 0.000 2.127 616 R HA -0.201 4.146 4.340 0.010 0.000 0.238 616 R C 2.026 178.558 176.300 0.386 0.000 1.134 616 R CA 1.551 57.834 56.100 0.305 0.000 0.975 616 R CB -0.711 29.734 30.300 0.242 0.000 0.865 616 R HN 0.388 nan 8.270 nan 0.000 0.447 617 C N -1.105 118.423 119.300 0.379 0.000 2.696 617 C HA 0.136 4.602 4.460 0.010 0.000 0.264 617 C C 0.038 175.120 174.990 0.152 0.000 1.288 617 C CA -0.389 58.796 59.018 0.278 0.000 1.717 617 C CB -0.958 26.918 27.740 0.226 0.000 1.893 617 C HN 0.319 nan 8.230 nan 0.000 0.577 618 H N 0.375 119.502 119.070 0.096 0.000 2.725 618 H HA 0.255 4.817 4.556 0.010 0.000 0.283 618 H C -2.015 173.024 175.328 -0.481 0.000 1.110 618 H CA -1.766 54.221 56.048 -0.100 0.000 1.289 618 H CB 0.451 30.194 29.762 -0.032 0.000 1.400 618 H HN -0.015 nan 8.280 nan 0.000 0.493 619 P HA -0.173 nan 4.420 nan 0.000 0.223 619 P C 1.195 177.933 177.300 -0.936 0.000 1.144 619 P CA 1.155 63.419 63.100 -1.394 0.000 0.783 619 P CB 0.343 31.518 31.700 -0.874 0.000 0.771 620 A N -0.953 121.588 122.820 -0.466 0.000 2.121 620 A HA -0.096 4.230 4.320 0.010 0.000 0.218 620 A C 1.894 179.328 177.584 -0.249 0.000 1.154 620 A CA 1.105 52.983 52.037 -0.266 0.000 0.679 620 A CB -1.281 17.640 19.000 -0.132 0.000 0.795 620 A HN 0.202 nan 8.150 nan 0.000 0.458 621 L N -1.362 119.663 121.223 -0.329 0.000 2.592 621 L HA 0.101 4.447 4.340 0.010 0.000 0.227 621 L C 1.654 178.546 176.870 0.037 0.000 1.127 621 L CA 0.058 54.836 54.840 -0.104 0.000 0.884 621 L CB -0.098 42.005 42.059 0.073 0.000 1.065 621 L HN 0.930 nan 8.230 nan 0.000 0.457 622 W N -3.589 117.670 121.300 -0.069 0.000 1.320 622 W HA 0.177 4.843 4.660 0.011 0.000 0.188 622 W C 1.436 177.944 176.519 -0.019 0.000 0.754 622 W CA 0.486 57.803 57.345 -0.047 0.000 0.819 622 W CB -0.797 28.554 29.460 -0.182 0.000 0.850 622 W HN 0.064 nan 8.180 nan 0.000 0.474 623 S N 1.506 117.163 115.700 -0.073 0.000 2.461 623 S HA 0.130 4.607 4.470 0.010 0.000 0.228 623 S C 1.115 175.747 174.600 0.053 0.000 1.005 623 S CA 0.598 58.820 58.200 0.037 0.000 0.942 623 S CB -0.460 62.584 63.200 -0.261 0.000 0.776 623 S HN 0.270 nan 8.310 nan 0.000 0.514 624 L N 1.459 122.697 121.223 0.026 0.000 3.083 624 L HA 0.409 4.755 4.340 0.010 0.000 0.286 624 L C 0.204 177.123 176.870 0.081 0.000 1.307 624 L CA -0.210 54.652 54.840 0.036 0.000 0.897 624 L CB 0.641 42.704 42.059 0.006 0.000 1.306 624 L HN 0.046 nan 8.230 nan 0.000 0.569 625 D N 0.429 120.907 120.400 0.129 0.000 2.178 625 D HA -0.109 4.537 4.640 0.010 0.000 0.202 625 D C 1.910 178.358 176.300 0.246 0.000 0.974 625 D CA 1.794 55.897 54.000 0.172 0.000 0.841 625 D CB 0.390 41.284 40.800 0.158 0.000 0.953 625 D HN 0.394 nan 8.370 nan 0.000 0.478 626 T N -2.740 111.923 114.554 0.181 0.000 3.144 626 T HA 0.100 4.456 4.350 0.010 0.000 0.249 626 T C 0.730 175.509 174.700 0.130 0.000 1.089 626 T CA -0.197 62.030 62.100 0.211 0.000 0.989 626 T CB 0.406 69.342 68.868 0.114 0.000 0.992 626 T HN -0.101 nan 8.240 nan 0.000 0.540 627 T N 0.512 115.003 114.554 -0.106 0.000 2.903 627 T HA 0.501 4.857 4.350 0.010 0.000 0.299 627 T C -2.497 171.542 174.700 -1.102 0.000 1.093 627 T CA -1.798 60.023 62.100 -0.464 0.000 1.002 627 T CB 1.955 70.688 68.868 -0.225 0.000 1.127 627 T HN -0.292 nan 8.240 nan 0.000 0.488 628 P HA 0.020 nan 4.420 nan 0.000 0.222 628 P C 1.151 178.239 177.300 -0.354 0.000 1.147 628 P CA 0.540 63.022 63.100 -1.031 0.000 0.790 628 P CB 0.244 31.649 31.700 -0.492 0.000 0.780 629 E N -0.640 119.400 120.200 -0.266 0.000 2.333 629 E HA -0.049 4.307 4.350 0.010 0.000 0.198 629 E C 1.916 178.524 176.600 0.012 0.000 1.007 629 E CA 1.126 57.461 56.400 -0.110 0.000 0.845 629 E CB -0.964 28.666 29.700 -0.117 0.000 0.766 629 E HN 0.270 nan 8.360 nan 0.000 0.507 630 G N -0.855 107.946 108.800 0.002 0.000 3.233 630 G HA2 0.042 4.008 3.960 0.010 0.000 0.227 630 G HA3 0.042 4.008 3.960 0.010 0.000 0.227 630 G C -0.113 174.918 174.900 0.219 0.000 1.175 630 G CA -0.128 45.050 45.100 0.130 0.000 0.781 630 G HN 0.141 nan 8.290 nan 0.000 0.542 631 Y N -0.167 120.171 120.300 0.063 0.000 2.562 631 Y HA 0.630 5.186 4.550 0.010 0.000 0.345 631 Y C -1.058 174.875 175.900 0.056 0.000 1.045 631 Y CA -1.193 56.900 58.100 -0.012 0.000 1.028 631 Y CB 2.394 40.819 38.460 -0.058 0.000 1.297 631 Y HN -0.040 nan 8.280 nan 0.000 0.463 632 S N 3.910 119.266 115.700 -0.573 0.000 2.605 632 S HA 0.284 4.760 4.470 0.010 0.000 0.279 632 S C -1.976 172.418 174.600 -0.344 0.000 1.166 632 S CA -0.579 57.511 58.200 -0.184 0.000 0.975 632 S CB 0.287 63.595 63.200 0.180 0.000 1.111 632 S HN 0.681 nan 8.310 nan 0.000 0.465 633 W N 5.265 126.535 121.300 -0.051 0.000 2.210 633 W HA 0.338 5.004 4.660 0.010 0.000 0.330 633 W C 1.400 177.944 176.519 0.041 0.000 1.334 633 W CA -0.369 57.006 57.345 0.050 0.000 1.227 633 W CB 0.467 30.024 29.460 0.163 0.000 1.178 633 W HN 0.632 nan 8.180 nan 0.000 0.560 634 I N 1.037 121.828 120.570 0.368 0.000 2.685 634 I HA -0.010 4.166 4.170 0.010 0.000 0.251 634 I C 0.102 176.263 176.117 0.075 0.000 1.102 634 I CA 0.899 62.310 61.300 0.185 0.000 1.442 634 I CB 0.110 38.189 38.000 0.132 0.000 1.194 634 I HN 0.244 nan 8.210 nan 0.000 0.448 635 D N 0.056 120.532 120.400 0.126 0.000 2.365 635 D HA 0.372 5.018 4.640 0.010 0.000 0.235 635 D C -0.016 176.310 176.300 0.044 0.000 1.368 635 D CA -0.199 53.745 54.000 -0.093 0.000 1.001 635 D CB 1.666 42.214 40.800 -0.420 0.000 1.364 635 D HN 0.155 nan 8.370 nan 0.000 0.577 636 A N 3.511 126.193 122.820 -0.231 0.000 2.275 636 A HA 0.111 4.437 4.320 0.010 0.000 0.212 636 A C 0.651 178.129 177.584 -0.176 0.000 1.201 636 A CA 0.037 51.674 52.037 -0.667 0.000 0.843 636 A CB 0.106 18.073 19.000 -1.721 0.000 0.873 636 A HN 0.457 nan 8.150 nan 0.000 0.492 637 N N 0.889 119.539 118.700 -0.083 0.000 2.660 637 N HA 0.091 4.837 4.740 0.010 0.000 0.316 637 N C -1.186 174.272 175.510 -0.086 0.000 1.774 637 N CA -0.014 53.004 53.050 -0.053 0.000 0.946 637 N CB 0.807 39.252 38.487 -0.071 0.000 1.322 637 N HN 0.199 nan 8.380 nan 0.000 0.492 638 D N 0.602 120.946 120.400 -0.093 0.000 3.018 638 D HA 0.084 4.730 4.640 0.010 0.000 0.331 638 D C 1.174 177.324 176.300 -0.251 0.000 1.334 638 D CA -0.260 53.708 54.000 -0.053 0.000 0.900 638 D CB 0.246 41.140 40.800 0.157 0.000 1.059 638 D HN 0.140 nan 8.370 nan 0.000 0.498 639 S N -0.683 114.676 115.700 -0.568 0.000 2.423 639 S HA -0.108 4.368 4.470 0.010 0.000 0.231 639 S C 2.108 176.650 174.600 -0.097 0.000 1.014 639 S CA 0.673 58.552 58.200 -0.535 0.000 0.965 639 S CB -0.009 62.968 63.200 -0.372 0.000 0.785 639 S HN 0.260 nan 8.310 nan 0.000 0.495 640 A N 2.551 125.337 122.820 -0.056 0.000 1.933 640 A HA -0.057 4.269 4.320 0.010 0.000 0.218 640 A C 1.949 179.559 177.584 0.043 0.000 1.175 640 A CA 1.655 53.697 52.037 0.009 0.000 0.628 640 A CB -0.775 18.232 19.000 0.011 0.000 0.814 640 A HN 0.707 nan 8.150 nan 0.000 0.444 641 N N -1.304 117.426 118.700 0.051 0.000 2.205 641 N HA 0.100 4.846 4.740 0.010 0.000 0.201 641 N C -0.577 175.081 175.510 0.246 0.000 1.128 641 N CA 0.138 53.231 53.050 0.071 0.000 0.867 641 N CB 0.084 38.466 38.487 -0.176 0.000 0.996 641 N HN 0.563 nan 8.380 nan 0.000 0.503 642 N N 0.031 118.876 118.700 0.241 0.000 2.758 642 N HA -0.143 4.603 4.740 0.010 0.000 0.248 642 N C -1.592 174.206 175.510 0.479 0.000 1.076 642 N CA -0.126 53.173 53.050 0.415 0.000 0.696 642 N CB -0.821 37.904 38.487 0.396 0.000 0.979 642 N HN -0.063 nan 8.380 nan 0.000 0.550 643 V N 1.281 121.431 119.914 0.394 0.000 2.555 643 V HA 0.567 4.693 4.120 0.010 0.000 0.302 643 V C 0.217 176.583 176.094 0.452 0.000 1.038 643 V CA -0.557 61.938 62.300 0.325 0.000 0.887 643 V CB 2.157 34.051 31.823 0.118 0.000 0.991 643 V HN 0.118 nan 8.190 nan 0.000 0.434 644 L N 4.425 125.940 121.223 0.487 0.000 2.381 644 L HA 0.726 5.073 4.340 0.010 0.000 0.274 644 L C -0.325 176.907 176.870 0.603 0.000 0.988 644 L CA -0.192 55.026 54.840 0.630 0.000 0.824 644 L CB 2.247 44.758 42.059 0.753 0.000 1.263 644 L HN 0.818 nan 8.230 nan 0.000 0.410 645 S N 2.453 118.501 115.700 0.579 0.000 2.541 645 S HA 0.896 5.372 4.470 0.010 0.000 0.280 645 S C -0.863 174.001 174.600 0.440 0.000 1.112 645 S CA -0.669 57.731 58.200 0.332 0.000 0.925 645 S CB 2.231 65.545 63.200 0.190 0.000 1.067 645 S HN 0.491 nan 8.310 nan 0.000 0.479 646 F N -0.939 119.068 119.950 0.094 0.000 2.773 646 F HA 0.777 5.310 4.527 0.010 0.000 0.314 646 F C -1.578 174.020 175.800 -0.336 0.000 1.160 646 F CA -1.418 56.449 58.000 -0.221 0.000 0.920 646 F CB 0.982 39.587 39.000 -0.659 0.000 1.323 646 F HN 0.458 nan 8.300 nan 0.000 0.457 647 M N 2.212 121.664 119.600 -0.247 0.000 2.537 647 M HA 0.576 5.062 4.480 0.010 0.000 0.324 647 M C -0.691 175.338 176.300 -0.452 0.000 1.187 647 M CA -0.636 54.418 55.300 -0.410 0.000 0.993 647 M CB 1.772 34.013 32.600 -0.598 0.000 1.666 647 M HN 0.631 nan 8.290 nan 0.000 0.461 648 R N 1.530 121.763 120.500 -0.445 0.000 2.599 648 R HA 0.601 4.947 4.340 0.010 0.000 0.295 648 R C -1.590 174.471 176.300 -0.398 0.000 0.963 648 R CA -0.516 55.419 56.100 -0.275 0.000 0.883 648 R CB 1.510 31.745 30.300 -0.108 0.000 1.171 648 R HN 0.547 nan 8.270 nan 0.000 0.450 649 Y N -0.700 119.579 120.300 -0.035 0.000 2.409 649 Y HA 0.580 5.136 4.550 0.010 0.000 0.343 649 Y C 1.001 176.841 175.900 -0.100 0.000 0.973 649 Y CA -0.799 57.267 58.100 -0.057 0.000 1.064 649 Y CB 2.314 40.748 38.460 -0.043 0.000 1.207 649 Y HN 0.715 nan 8.280 nan 0.000 0.452 650 G N -0.110 108.709 108.800 0.031 0.000 2.462 650 G HA2 0.378 4.345 3.960 0.010 0.000 0.319 650 G HA3 0.378 4.345 3.960 0.010 0.000 0.319 650 G C 0.414 175.270 174.900 -0.072 0.000 1.171 650 G CA -0.550 44.486 45.100 -0.107 0.000 0.920 650 G HN 0.692 nan 8.290 nan 0.000 0.499 651 S N -0.835 114.805 115.700 -0.100 0.000 2.603 651 S HA -0.064 4.412 4.470 0.010 0.000 0.229 651 S C 0.908 175.468 174.600 -0.067 0.000 0.972 651 S CA 1.036 59.196 58.200 -0.066 0.000 0.935 651 S CB 0.035 63.208 63.200 -0.046 0.000 0.769 651 S HN 0.630 nan 8.310 nan 0.000 0.536 652 D N -0.207 120.141 120.400 -0.087 0.000 2.424 652 D HA 0.282 4.928 4.640 0.010 0.000 0.220 652 D C 1.297 177.558 176.300 -0.065 0.000 1.150 652 D CA 0.245 54.200 54.000 -0.075 0.000 0.831 652 D CB -0.441 40.303 40.800 -0.094 0.000 0.981 652 D HN 0.424 nan 8.370 nan 0.000 0.500 653 G N 0.739 109.506 108.800 -0.054 0.000 2.184 653 G HA2 -0.329 3.637 3.960 0.010 0.000 0.264 653 G HA3 -0.329 3.637 3.960 0.010 0.000 0.264 653 G C 0.529 175.424 174.900 -0.009 0.000 0.975 653 G CA 0.600 45.678 45.100 -0.037 0.000 0.642 653 G HN 0.809 nan 8.290 nan 0.000 0.536 654 S N -1.098 114.586 115.700 -0.028 0.000 2.600 654 S HA 0.743 5.219 4.470 0.010 0.000 0.265 654 S C 0.170 174.802 174.600 0.053 0.000 1.325 654 S CA 0.113 58.298 58.200 -0.024 0.000 1.002 654 S CB 2.493 65.640 63.200 -0.089 0.000 0.921 654 S HN 1.682 nan 8.310 nan 0.000 0.554 655 V N 1.098 121.035 119.914 0.039 0.000 3.147 655 V HA 0.837 4.963 4.120 0.010 0.000 0.306 655 V C -1.905 174.204 176.094 0.025 0.000 1.209 655 V CA -0.951 61.379 62.300 0.050 0.000 1.023 655 V CB 2.110 34.033 31.823 0.166 0.000 1.059 655 V HN 1.052 nan 8.190 nan 0.000 0.435 656 L N 4.122 125.323 121.223 -0.036 0.000 2.526 656 L HA 0.935 5.281 4.340 0.010 0.000 0.263 656 L C -0.521 176.301 176.870 -0.081 0.000 0.943 656 L CA 0.156 54.993 54.840 -0.005 0.000 0.859 656 L CB 1.821 43.807 42.059 -0.122 0.000 1.313 656 L HN 0.960 nan 8.230 nan 0.000 0.406 657 A N 3.928 126.765 122.820 0.028 0.000 2.276 657 A HA 0.734 5.060 4.320 0.010 0.000 0.316 657 A C -0.803 176.644 177.584 -0.229 0.000 1.229 657 A CA -0.393 51.556 52.037 -0.147 0.000 0.851 657 A CB 0.537 19.410 19.000 -0.213 0.000 1.165 657 A HN 0.759 nan 8.150 nan 0.000 0.513 658 C N 2.358 121.394 119.300 -0.441 0.000 2.345 658 C HA 0.683 5.149 4.460 0.010 0.000 0.323 658 C C -0.091 174.611 174.990 -0.480 0.000 1.276 658 C CA -0.634 58.076 59.018 -0.513 0.000 1.543 658 C CB 0.499 27.758 27.740 -0.802 0.000 2.211 658 C HN 0.619 nan 8.230 nan 0.000 0.493 659 V N 3.423 123.061 119.914 -0.460 0.000 2.443 659 V HA 0.491 4.617 4.120 0.010 0.000 0.293 659 V C -0.836 174.925 176.094 -0.554 0.000 1.021 659 V CA -0.281 61.822 62.300 -0.328 0.000 0.848 659 V CB 1.051 32.743 31.823 -0.218 0.000 0.998 659 V HN 0.723 nan 8.190 nan 0.000 0.424 660 F N 3.068 122.969 119.950 -0.082 0.000 2.427 660 F HA 0.517 5.050 4.527 0.010 0.000 0.346 660 F C 0.427 175.984 175.800 -0.405 0.000 1.120 660 F CA -0.512 57.312 58.000 -0.294 0.000 1.033 660 F CB 1.578 40.375 39.000 -0.338 0.000 1.126 660 F HN 0.461 nan 8.300 nan 0.000 0.462 661 N N 3.320 121.817 118.700 -0.338 0.000 2.558 661 N HA 0.224 4.970 4.740 0.010 0.000 0.242 661 N C -0.437 174.928 175.510 -0.242 0.000 0.979 661 N CA -0.444 52.491 53.050 -0.192 0.000 0.931 661 N CB 0.176 38.578 38.487 -0.143 0.000 1.122 661 N HN 0.370 nan 8.380 nan 0.000 0.508 662 F N 1.131 121.194 119.950 0.188 0.000 2.773 662 F HA 0.394 4.927 4.527 0.010 0.000 0.304 662 F C 1.449 177.299 175.800 0.083 0.000 1.129 662 F CA -0.306 57.790 58.000 0.160 0.000 1.378 662 F CB -0.334 38.837 39.000 0.284 0.000 1.095 662 F HN 0.408 nan 8.300 nan 0.000 0.565 663 A N -0.087 122.841 122.820 0.179 0.000 2.304 663 A HA 0.555 4.881 4.320 0.010 0.000 0.271 663 A C 1.649 179.222 177.584 -0.018 0.000 1.091 663 A CA 0.123 52.208 52.037 0.079 0.000 0.812 663 A CB 0.144 19.188 19.000 0.074 0.000 1.056 663 A HN 0.334 nan 8.150 nan 0.000 0.489 664 G N -0.523 108.254 108.800 -0.038 0.000 2.920 664 G HA2 0.433 4.399 3.960 0.010 0.000 0.208 664 G HA3 0.433 4.399 3.960 0.010 0.000 0.208 664 G C 0.439 175.291 174.900 -0.081 0.000 1.159 664 G CA 0.958 46.026 45.100 -0.054 0.000 0.784 664 G HN 1.262 nan 8.290 nan 0.000 0.535 665 A N 0.290 123.030 122.820 -0.133 0.000 2.413 665 A HA 0.689 5.015 4.320 0.010 0.000 0.307 665 A C -0.081 177.323 177.584 -0.300 0.000 1.087 665 A CA -0.809 51.132 52.037 -0.159 0.000 0.750 665 A CB 1.177 20.113 19.000 -0.108 0.000 1.296 665 A HN 0.357 nan 8.150 nan 0.000 0.423 666 E N 0.465 120.540 120.200 -0.207 0.000 2.390 666 E HA 0.343 4.699 4.350 0.010 0.000 0.261 666 E C -1.041 175.426 176.600 -0.222 0.000 1.076 666 E CA -0.113 56.159 56.400 -0.213 0.000 0.905 666 E CB 0.350 30.000 29.700 -0.084 0.000 0.984 666 E HN 0.684 nan 8.360 nan 0.000 0.427 667 H N 1.332 120.406 119.070 0.007 0.000 2.685 667 H HA 0.297 4.859 4.556 0.010 0.000 0.307 667 H C -0.335 175.034 175.328 0.069 0.000 1.017 667 H CA -0.990 55.091 56.048 0.056 0.000 1.237 667 H CB 0.921 30.731 29.762 0.080 0.000 1.409 667 H HN 0.192 nan 8.280 nan 0.000 0.488 668 R N 1.775 122.377 120.500 0.170 0.000 2.528 668 R HA 0.052 4.398 4.340 0.010 0.000 0.271 668 R C -0.075 176.290 176.300 0.109 0.000 1.056 668 R CA -0.388 55.776 56.100 0.106 0.000 1.117 668 R CB 0.559 30.895 30.300 0.060 0.000 1.085 668 R HN 0.842 nan 8.270 nan 0.000 0.530 669 D N 0.961 121.400 120.400 0.065 0.000 2.708 669 D HA -0.273 4.373 4.640 0.010 0.000 0.236 669 D C -0.661 175.647 176.300 0.012 0.000 1.146 669 D CA 1.056 55.065 54.000 0.014 0.000 0.662 669 D CB -1.196 39.592 40.800 -0.020 0.000 1.059 669 D HN 0.476 nan 8.370 nan 0.000 0.428 670 Y N 0.974 121.251 120.300 -0.038 0.000 2.365 670 Y HA 0.226 4.782 4.550 0.010 0.000 0.340 670 Y C 0.820 176.659 175.900 -0.101 0.000 1.016 670 Y CA -0.600 57.477 58.100 -0.040 0.000 1.196 670 Y CB 0.618 39.092 38.460 0.024 0.000 1.167 670 Y HN -0.070 nan 8.280 nan 0.000 0.509 671 R N 6.653 126.855 120.500 -0.496 0.000 2.221 671 R HA 0.436 4.782 4.340 0.010 0.000 0.327 671 R C -1.867 174.262 176.300 -0.286 0.000 1.033 671 R CA -0.761 55.037 56.100 -0.503 0.000 0.887 671 R CB 0.489 30.158 30.300 -1.052 0.000 1.057 671 R HN 0.752 nan 8.270 nan 0.000 0.455 672 L N 4.392 125.605 121.223 -0.016 0.000 2.305 672 L HA 0.522 4.868 4.340 0.010 0.000 0.284 672 L C -0.168 176.786 176.870 0.139 0.000 1.013 672 L CA -0.086 54.875 54.840 0.203 0.000 0.819 672 L CB 1.795 43.956 42.059 0.170 0.000 1.227 672 L HN 0.741 nan 8.230 nan 0.000 0.417 673 G N 5.726 114.732 108.800 0.344 0.000 2.406 673 G HA2 0.486 4.452 3.960 0.010 0.000 0.251 673 G HA3 0.486 4.452 3.960 0.010 0.000 0.251 673 G C -0.812 174.130 174.900 0.070 0.000 1.271 673 G CA -0.311 44.939 45.100 0.249 0.000 0.859 673 G HN 0.635 nan 8.290 nan 0.000 0.540 674 L N 2.461 123.687 121.223 0.005 0.000 2.327 674 L HA 0.360 4.706 4.340 0.010 0.000 0.258 674 L C -1.770 175.158 176.870 0.097 0.000 1.024 674 L CA -2.126 52.660 54.840 -0.090 0.000 0.825 674 L CB 3.030 44.843 42.059 -0.411 0.000 1.386 674 L HN 0.300 nan 8.230 nan 0.000 0.417 675 P HA 0.008 nan 4.420 nan 0.000 0.218 675 P C -0.474 176.994 177.300 0.279 0.000 1.152 675 P CA 1.124 64.382 63.100 0.262 0.000 0.826 675 P CB 0.328 32.234 31.700 0.344 0.000 0.790 676 R N -1.079 119.680 120.500 0.431 0.000 2.892 676 R HA 0.762 5.108 4.340 0.010 0.000 0.265 676 R C -0.367 176.185 176.300 0.419 0.000 1.025 676 R CA -0.997 55.315 56.100 0.354 0.000 0.982 676 R CB 1.552 32.012 30.300 0.267 0.000 1.185 676 R HN -0.110 nan 8.270 nan 0.000 0.484 677 A N 0.204 123.184 122.820 0.266 0.000 2.298 677 A HA 0.879 5.205 4.320 0.010 0.000 0.302 677 A C 0.373 178.095 177.584 0.229 0.000 1.177 677 A CA 0.003 52.183 52.037 0.238 0.000 0.912 677 A CB 0.322 19.404 19.000 0.136 0.000 1.331 677 A HN 0.903 nan 8.150 nan 0.000 0.504 678 G N -0.952 107.955 108.800 0.178 0.000 2.545 678 G HA2 0.114 4.080 3.960 0.010 0.000 0.216 678 G HA3 0.114 4.080 3.960 0.010 0.000 0.216 678 G C -0.255 174.755 174.900 0.183 0.000 1.314 678 G CA 0.162 45.336 45.100 0.123 0.000 0.906 678 G HN 1.245 nan 8.290 nan 0.000 0.563 679 R N -0.548 120.002 120.500 0.083 0.000 2.265 679 R HA 0.604 4.950 4.340 0.010 0.000 0.314 679 R C -1.131 175.197 176.300 0.046 0.000 1.053 679 R CA -0.513 55.647 56.100 0.100 0.000 0.931 679 R CB 0.245 30.568 30.300 0.037 0.000 1.024 679 R HN 0.508 nan 8.270 nan 0.000 0.457 680 W N 5.043 126.357 121.300 0.023 0.000 2.417 680 W HA 0.443 5.109 4.660 0.010 0.000 0.315 680 W C 0.202 176.737 176.519 0.027 0.000 1.045 680 W CA -0.737 56.624 57.345 0.027 0.000 1.221 680 W CB 1.052 30.528 29.460 0.027 0.000 1.309 680 W HN 0.386 nan 8.180 nan 0.000 0.453 681 R N 2.728 123.328 120.500 0.167 0.000 2.390 681 R HA 0.129 4.475 4.340 0.010 0.000 0.291 681 R C -0.032 176.363 176.300 0.158 0.000 1.070 681 R CA -0.306 55.870 56.100 0.126 0.000 1.014 681 R CB 0.801 31.145 30.300 0.074 0.000 1.007 681 R HN 0.580 nan 8.270 nan 0.000 0.466 682 E N 4.510 124.779 120.200 0.115 0.000 1.893 682 E HA 0.026 4.382 4.350 0.010 0.000 0.269 682 E C 1.035 177.680 176.600 0.074 0.000 1.129 682 E CA -0.341 56.114 56.400 0.093 0.000 0.904 682 E CB 0.717 30.449 29.700 0.055 0.000 1.077 682 E HN 0.633 nan 8.360 nan 0.000 0.407 683 V N 2.808 122.783 119.914 0.101 0.000 2.951 683 V HA 0.161 4.287 4.120 0.010 0.000 0.255 683 V C 0.324 176.428 176.094 0.015 0.000 1.088 683 V CA 0.348 62.697 62.300 0.081 0.000 1.109 683 V CB -0.183 31.708 31.823 0.114 0.000 0.724 683 V HN 0.403 nan 8.190 nan 0.000 0.471 684 L N 1.521 122.721 121.223 -0.038 0.000 2.482 684 L HA 0.732 5.078 4.340 0.010 0.000 0.263 684 L C -1.341 175.409 176.870 -0.200 0.000 0.957 684 L CA -0.284 54.425 54.840 -0.218 0.000 0.836 684 L CB 2.157 43.814 42.059 -0.669 0.000 1.324 684 L HN 0.228 nan 8.230 nan 0.000 0.406 685 N N 1.307 119.932 118.700 -0.125 0.000 2.594 685 N HA 0.161 4.907 4.740 0.010 0.000 0.280 685 N C 0.349 175.858 175.510 -0.001 0.000 1.156 685 N CA 0.333 53.331 53.050 -0.086 0.000 0.831 685 N CB 1.464 39.934 38.487 -0.028 0.000 1.379 685 N HN 0.729 nan 8.380 nan 0.000 0.536 686 T N -0.984 113.492 114.554 -0.131 0.000 3.098 686 T HA -0.078 4.278 4.350 0.010 0.000 0.266 686 T C 0.858 175.588 174.700 0.050 0.000 1.145 686 T CA 0.976 62.998 62.100 -0.131 0.000 1.092 686 T CB 0.044 68.774 68.868 -0.230 0.000 0.908 686 T HN 0.325 nan 8.240 nan 0.000 0.526 687 D N 1.119 121.555 120.400 0.060 0.000 2.349 687 D HA 0.408 5.054 4.640 0.010 0.000 0.214 687 D C 0.868 177.239 176.300 0.119 0.000 1.063 687 D CA -0.048 54.002 54.000 0.083 0.000 0.847 687 D CB -0.152 40.670 40.800 0.036 0.000 0.933 687 D HN 0.623 nan 8.370 nan 0.000 0.513 688 A N -0.131 122.773 122.820 0.140 0.000 2.531 688 A HA 0.170 4.496 4.320 0.010 0.000 0.236 688 A C 1.839 179.421 177.584 -0.003 0.000 1.062 688 A CA 0.699 52.743 52.037 0.011 0.000 0.760 688 A CB 0.056 18.969 19.000 -0.145 0.000 0.995 688 A HN 0.365 nan 8.150 nan 0.000 0.501 689 T N 0.573 115.120 114.554 -0.012 0.000 2.881 689 T HA -0.207 4.149 4.350 0.010 0.000 0.270 689 T C 1.499 176.206 174.700 0.011 0.000 1.068 689 T CA 1.748 63.878 62.100 0.050 0.000 1.131 689 T CB -0.931 67.962 68.868 0.043 0.000 0.871 689 T HN 0.870 nan 8.240 nan 0.000 0.479 690 I N -2.417 118.029 120.570 -0.207 0.000 2.567 690 I HA -0.008 4.168 4.170 0.010 0.000 0.257 690 I C 1.603 177.479 176.117 -0.402 0.000 1.184 690 I CA 1.055 62.163 61.300 -0.321 0.000 1.451 690 I CB -0.757 36.958 38.000 -0.474 0.000 1.089 690 I HN 0.077 nan 8.210 nan 0.000 0.441 691 Y N 0.681 120.921 120.300 -0.100 0.000 2.457 691 Y HA 0.248 4.804 4.550 0.010 0.000 0.263 691 Y C 0.539 176.416 175.900 -0.038 0.000 1.164 691 Y CA -0.377 57.639 58.100 -0.139 0.000 1.274 691 Y CB -0.899 37.518 38.460 -0.073 0.000 1.097 691 Y HN 0.351 nan 8.280 nan 0.000 0.523 692 H N -2.095 117.076 119.070 0.168 0.000 2.976 692 H HA -0.102 4.460 4.556 0.010 0.000 0.273 692 H C 1.149 176.637 175.328 0.268 0.000 1.259 692 H CA -0.320 55.845 56.048 0.195 0.000 1.122 692 H CB -1.057 28.806 29.762 0.168 0.000 1.298 692 H HN 0.480 nan 8.280 nan 0.000 0.379 693 G N 0.002 108.988 108.800 0.311 0.000 2.525 693 G HA2 0.321 4.287 3.960 0.010 0.000 0.287 693 G HA3 0.321 4.287 3.960 0.010 0.000 0.287 693 G C 1.033 176.135 174.900 0.338 0.000 1.350 693 G CA -0.016 45.232 45.100 0.246 0.000 1.039 693 G HN 0.333 nan 8.290 nan 0.000 0.513 694 S N -2.122 113.759 115.700 0.302 0.000 2.593 694 S HA 0.315 4.791 4.470 0.010 0.000 0.217 694 S C 1.710 176.371 174.600 0.102 0.000 0.966 694 S CA 0.866 59.182 58.200 0.193 0.000 0.914 694 S CB 0.125 63.394 63.200 0.115 0.000 0.776 694 S HN 2.298 nan 8.310 nan 0.000 0.523 695 G N 1.066 109.920 108.800 0.091 0.000 2.143 695 G HA2 -0.230 3.736 3.960 0.010 0.000 0.249 695 G HA3 -0.230 3.736 3.960 0.010 0.000 0.249 695 G C -0.026 174.890 174.900 0.027 0.000 0.981 695 G CA 0.075 45.204 45.100 0.047 0.000 0.665 695 G HN 0.592 nan 8.290 nan 0.000 0.528 696 I N 1.212 121.799 120.570 0.027 0.000 2.496 696 I HA 0.526 4.702 4.170 0.010 0.000 0.285 696 I C 1.165 177.282 176.117 0.001 0.000 1.080 696 I CA 1.063 62.369 61.300 0.010 0.000 1.404 696 I CB 1.027 39.029 38.000 0.003 0.000 1.403 696 I HN 0.338 nan 8.210 nan 0.000 0.539 697 G N 4.552 113.351 108.800 -0.002 0.000 2.561 697 G HA2 0.172 4.138 3.960 0.010 0.000 0.310 697 G HA3 0.172 4.138 3.960 0.010 0.000 0.310 697 G C -0.493 174.406 174.900 -0.001 0.000 1.292 697 G CA -0.525 44.571 45.100 -0.006 0.000 0.811 697 G HN 0.489 nan 8.290 nan 0.000 0.482 698 N N 0.166 118.867 118.700 0.002 0.000 2.234 698 N HA 0.199 4.945 4.740 0.010 0.000 0.227 698 N C 0.554 176.072 175.510 0.014 0.000 1.151 698 N CA -0.051 53.005 53.050 0.010 0.000 0.865 698 N CB 0.737 39.233 38.487 0.015 0.000 1.066 698 N HN 0.527 nan 8.380 nan 0.000 0.515 699 L N 0.004 121.232 121.223 0.009 0.000 3.608 699 L HA -0.285 4.061 4.340 0.010 0.000 0.422 699 L C 1.042 177.921 176.870 0.015 0.000 1.260 699 L CA 0.461 55.306 54.840 0.009 0.000 0.889 699 L CB -1.955 40.109 42.059 0.009 0.000 1.821 699 L HN 0.415 nan 8.230 nan 0.000 0.884 700 G N -2.255 106.556 108.800 0.017 0.000 2.241 700 G HA2 0.057 4.023 3.960 0.010 0.000 0.244 700 G HA3 0.057 4.023 3.960 0.010 0.000 0.244 700 G C 0.545 175.473 174.900 0.046 0.000 0.998 700 G CA 0.036 45.152 45.100 0.026 0.000 0.621 700 G HN 1.674 nan 8.290 nan 0.000 0.519 701 G N -2.080 106.751 108.800 0.052 0.000 2.356 701 G HA2 0.726 4.692 3.960 0.010 0.000 0.294 701 G HA3 0.726 4.692 3.960 0.010 0.000 0.294 701 G C -0.911 174.037 174.900 0.080 0.000 1.423 701 G CA 0.565 45.715 45.100 0.082 0.000 0.806 701 G HN 1.820 nan 8.290 nan 0.000 0.527 702 V N -2.799 117.186 119.914 0.118 0.000 3.078 702 V HA 0.837 4.963 4.120 0.010 0.000 0.311 702 V C -1.519 174.657 176.094 0.136 0.000 1.138 702 V CA -1.229 61.129 62.300 0.096 0.000 1.007 702 V CB 2.388 34.248 31.823 0.063 0.000 1.045 702 V HN 0.630 nan 8.190 nan 0.000 0.432 703 D N 2.379 122.836 120.400 0.095 0.000 2.349 703 D HA 0.622 5.268 4.640 0.010 0.000 0.232 703 D C -0.042 176.317 176.300 0.099 0.000 1.071 703 D CA 0.109 54.175 54.000 0.111 0.000 0.832 703 D CB 1.976 42.816 40.800 0.068 0.000 1.086 703 D HN 1.076 nan 8.370 nan 0.000 0.504 704 A N 2.525 125.444 122.820 0.166 0.000 2.309 704 A HA 0.489 4.815 4.320 0.010 0.000 0.290 704 A C 0.805 178.448 177.584 0.099 0.000 1.206 704 A CA -0.433 51.673 52.037 0.115 0.000 0.850 704 A CB 0.270 19.384 19.000 0.189 0.000 1.118 704 A HN 0.528 nan 8.150 nan 0.000 0.523 705 T N -0.644 113.939 114.554 0.048 0.000 2.880 705 T HA 0.390 4.746 4.350 0.010 0.000 0.279 705 T C -0.141 174.589 174.700 0.049 0.000 0.990 705 T CA -0.595 61.530 62.100 0.041 0.000 0.938 705 T CB 0.755 69.631 68.868 0.012 0.000 1.206 705 T HN 0.429 nan 8.240 nan 0.000 0.573 706 D N 1.364 121.790 120.400 0.044 0.000 3.060 706 D HA 0.185 4.831 4.640 0.010 0.000 0.245 706 D C -0.707 175.621 176.300 0.047 0.000 1.274 706 D CA 0.015 54.046 54.000 0.051 0.000 0.864 706 D CB -0.146 40.681 40.800 0.046 0.000 1.073 706 D HN 0.433 nan 8.370 nan 0.000 0.473 707 D N 2.470 122.896 120.400 0.043 0.000 2.460 707 D HA 0.157 4.803 4.640 0.010 0.000 0.232 707 D C -2.163 174.200 176.300 0.105 0.000 1.079 707 D CA -1.377 52.653 54.000 0.050 0.000 0.864 707 D CB 2.170 42.967 40.800 -0.006 0.000 1.048 707 D HN 0.070 nan 8.370 nan 0.000 0.523 708 P HA -0.008 nan 4.420 nan 0.000 0.266 708 P C -0.284 177.195 177.300 0.298 0.000 1.193 708 P CA -0.175 63.022 63.100 0.162 0.000 0.770 708 P CB 1.346 33.110 31.700 0.108 0.000 0.836 709 W N 2.736 124.017 121.300 -0.031 0.000 3.464 709 W HA 0.079 4.745 4.660 0.010 0.000 0.292 709 W C -0.447 176.072 176.519 -0.000 0.000 1.262 709 W CA -0.277 57.010 57.345 -0.096 0.000 1.202 709 W CB 0.895 30.247 29.460 -0.180 0.000 1.334 709 W HN 0.570 nan 8.180 nan 0.000 0.561 710 H N 1.766 120.586 119.070 -0.417 0.000 2.776 710 H HA -0.186 4.376 4.556 0.010 0.000 0.300 710 H C 1.231 176.516 175.328 -0.072 0.000 1.161 710 H CA 2.307 58.224 56.048 -0.217 0.000 1.147 710 H CB -1.458 28.300 29.762 -0.005 0.000 1.366 710 H HN 1.073 nan 8.280 nan 0.000 0.397 711 G N -0.245 108.564 108.800 0.014 0.000 2.160 711 G HA2 -0.335 3.631 3.960 0.010 0.000 0.251 711 G HA3 -0.335 3.631 3.960 0.010 0.000 0.251 711 G C 0.232 175.182 174.900 0.084 0.000 1.008 711 G CA 0.522 45.645 45.100 0.039 0.000 0.724 711 G HN 0.450 nan 8.290 nan 0.000 0.514 712 R N -0.466 120.104 120.500 0.116 0.000 2.664 712 R HA 0.431 4.777 4.340 0.010 0.000 0.286 712 R C -1.251 175.121 176.300 0.119 0.000 0.967 712 R CA -1.739 54.438 56.100 0.129 0.000 0.933 712 R CB 1.650 32.045 30.300 0.159 0.000 1.146 712 R HN 0.101 nan 8.270 nan 0.000 0.468 713 P HA -0.062 nan 4.420 nan 0.000 0.218 713 P C -0.074 177.288 177.300 0.104 0.000 1.149 713 P CA 1.083 64.242 63.100 0.098 0.000 0.817 713 P CB 0.526 32.281 31.700 0.093 0.000 0.785 714 A N -0.667 122.223 122.820 0.115 0.000 2.485 714 A HA 0.703 5.029 4.320 0.010 0.000 0.292 714 A C -0.464 177.171 177.584 0.085 0.000 1.147 714 A CA -0.213 51.886 52.037 0.103 0.000 0.750 714 A CB 1.578 20.654 19.000 0.126 0.000 1.331 714 A HN 0.188 nan 8.150 nan 0.000 0.419 715 S N -1.174 114.550 115.700 0.041 0.000 2.588 715 S HA 0.883 5.359 4.470 0.010 0.000 0.269 715 S C -0.730 173.830 174.600 -0.067 0.000 1.157 715 S CA -0.076 58.115 58.200 -0.016 0.000 0.824 715 S CB 1.294 64.481 63.200 -0.021 0.000 1.126 715 S HN 2.451 nan 8.310 nan 0.000 0.464 716 A N 0.704 123.458 122.820 -0.110 0.000 2.475 716 A HA 0.810 5.136 4.320 0.010 0.000 0.301 716 A C -1.201 176.321 177.584 -0.104 0.000 1.059 716 A CA -0.803 51.178 52.037 -0.094 0.000 0.710 716 A CB 1.737 20.680 19.000 -0.095 0.000 1.288 716 A HN 1.174 nan 8.150 nan 0.000 0.408 717 V N 2.431 122.294 119.914 -0.085 0.000 2.394 717 V HA 0.640 4.766 4.120 0.010 0.000 0.282 717 V C -0.525 175.558 176.094 -0.018 0.000 1.031 717 V CA -0.175 62.078 62.300 -0.078 0.000 0.881 717 V CB 0.608 32.372 31.823 -0.098 0.000 0.982 717 V HN 0.980 nan 8.190 nan 0.000 0.451 718 L N 4.379 125.617 121.223 0.025 0.000 2.630 718 L HA 0.817 5.163 4.340 0.010 0.000 0.258 718 L C -0.657 176.252 176.870 0.065 0.000 1.072 718 L CA -1.017 53.844 54.840 0.036 0.000 0.885 718 L CB 1.665 43.738 42.059 0.023 0.000 1.502 718 L HN 0.306 nan 8.230 nan 0.000 0.406 719 V N 1.818 121.754 119.914 0.037 0.000 2.427 719 V HA 0.635 4.761 4.120 0.010 0.000 0.286 719 V C -0.708 175.386 176.094 0.001 0.000 1.034 719 V CA -0.452 61.870 62.300 0.037 0.000 0.893 719 V CB 1.422 33.257 31.823 0.019 0.000 0.982 719 V HN 0.670 nan 8.190 nan 0.000 0.452 720 L N 8.713 129.930 121.223 -0.009 0.000 2.280 720 L HA 0.503 4.850 4.340 0.010 0.000 0.287 720 L C -2.326 174.491 176.870 -0.089 0.000 1.023 720 L CA -1.853 52.939 54.840 -0.080 0.000 0.819 720 L CB 1.612 43.589 42.059 -0.137 0.000 1.212 720 L HN 0.480 nan 8.230 nan 0.000 0.420 721 P HA 0.072 nan 4.420 nan 0.000 0.269 721 P C -2.435 174.800 177.300 -0.108 0.000 1.215 721 P CA -0.963 62.092 63.100 -0.075 0.000 0.780 721 P CB -0.117 31.553 31.700 -0.051 0.000 0.898 722 P HA -0.050 nan 4.420 nan 0.000 0.271 722 P C -0.464 176.792 177.300 -0.074 0.000 1.218 722 P CA 0.408 63.441 63.100 -0.112 0.000 0.780 722 P CB -0.123 31.528 31.700 -0.081 0.000 0.901 723 T N -0.240 114.271 114.554 -0.071 0.000 3.433 723 T HA -0.105 4.251 4.350 0.010 0.000 0.412 723 T C 0.357 175.018 174.700 -0.064 0.000 0.768 723 T CA 1.386 63.463 62.100 -0.038 0.000 2.077 723 T CB -2.276 66.582 68.868 -0.017 0.000 1.700 723 T HN 0.872 nan 8.240 nan 0.000 0.666 724 S N -1.217 114.409 115.700 -0.123 0.000 2.705 724 S HA 0.899 5.375 4.470 0.010 0.000 0.280 724 S C -1.096 173.385 174.600 -0.198 0.000 1.174 724 S CA -0.559 57.563 58.200 -0.130 0.000 0.823 724 S CB 2.349 65.479 63.200 -0.116 0.000 1.162 724 S HN 1.380 nan 8.310 nan 0.000 0.487 725 A N 0.685 123.368 122.820 -0.227 0.000 2.374 725 A HA 0.791 5.117 4.320 0.010 0.000 0.305 725 A C -1.269 176.063 177.584 -0.421 0.000 1.053 725 A CA -0.725 51.059 52.037 -0.421 0.000 0.726 725 A CB 0.919 19.742 19.000 -0.294 0.000 1.229 725 A HN 0.833 nan 8.150 nan 0.000 0.431 726 L N 1.760 122.735 121.223 -0.413 0.000 2.346 726 L HA 0.604 4.950 4.340 0.010 0.000 0.276 726 L C -1.282 175.575 176.870 -0.022 0.000 1.006 726 L CA -0.583 54.118 54.840 -0.232 0.000 0.817 726 L CB 1.801 43.763 42.059 -0.162 0.000 1.272 726 L HN 0.705 nan 8.230 nan 0.000 0.421 727 W N 4.256 125.437 121.300 -0.197 0.000 2.702 727 W HA 0.738 5.404 4.660 0.010 0.000 0.331 727 W C -0.846 175.645 176.519 -0.047 0.000 1.049 727 W CA -0.976 56.280 57.345 -0.148 0.000 1.230 727 W CB 1.452 30.845 29.460 -0.112 0.000 1.408 727 W HN 0.163 nan 8.180 nan 0.000 0.492 728 L N 2.521 123.891 121.223 0.244 0.000 2.409 728 L HA 0.818 5.164 4.340 0.010 0.000 0.262 728 L C 0.121 177.249 176.870 0.429 0.000 0.992 728 L CA -0.950 54.079 54.840 0.316 0.000 0.817 728 L CB 2.397 44.653 42.059 0.328 0.000 1.350 728 L HN 0.390 nan 8.230 nan 0.000 0.411 729 T N -1.126 113.627 114.554 0.332 0.000 2.909 729 T HA 0.602 4.958 4.350 0.010 0.000 0.299 729 T C -2.954 171.602 174.700 -0.239 0.000 1.073 729 T CA -2.377 59.778 62.100 0.091 0.000 0.999 729 T CB 2.076 71.005 68.868 0.102 0.000 1.098 729 T HN 0.156 nan 8.240 nan 0.000 0.477 730 P HA 0.336 nan 4.420 nan 0.000 0.266 730 P C 0.028 177.108 177.300 -0.368 0.000 1.195 730 P CA -0.079 62.494 63.100 -0.878 0.000 0.768 730 P CB 0.194 31.407 31.700 -0.811 0.000 0.838 731 A N 0.000 122.657 122.820 -0.272 0.000 2.254 731 A HA 0.000 4.326 4.320 0.010 0.000 0.244 731 A CA 0.000 51.961 52.037 -0.126 0.000 0.836 731 A CB 0.000 18.955 19.000 -0.075 0.000 0.831 731 A HN 0.000 nan 8.150 nan 0.000 0.486