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 3me3_1_B DATA FIRST_RESID 14 DATA SEQUENCE QTQQLHAAMA DTFLEHMCRL DIDSPPITAR NTGIICTIGP ASRSVETLKE DATA SEQUENCE MIKSGMNVAR LNFSHGTHEY HAETIKNVRT ATESFASDPI LYRPVAVALD DATA SEQUENCE TKGPEIRTGX XXXXXXXXXX XXXXATLKIT LDNAYMEKCD ENILWLDYKN DATA SEQUENCE ICKVVEVGSK IYVDDGLISL QVXXXXXDFL VTEVENGGSL GSKKGVNLPG DATA SEQUENCE AAVDLPAVSE KDIQDLKFGV EQDVDMVFAS FIRKASDVHE VRKVLGEKGK DATA SEQUENCE NIKIISKIEN HEGVRRFDEI LEASDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNRAGKP VICATQMLES MIKKPRPTRA EGSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGDYPLE AVRMQHLIAR EAEAAIYHLQ LFEELRRLAP ITSDPTEATA DATA SEQUENCE VGAVEASFKC CSGAIIVLTK SGRSAHQVAR YRPRAPIIAV TRNPQTARQA DATA SEQUENCE HLYRGIFPVL CKDPVQEAWA EDVDLRVNFA MNVGKARGFF KKGDVVIVLT DATA SEQUENCE GWRPGSGFTN TMRVVPVP 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 14 Q HA 0.000 nan 4.340 nan 0.000 0.214 14 Q C 0.000 176.010 176.000 0.017 0.000 1.003 14 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 14 Q CB 0.000 28.731 28.738 -0.011 0.000 1.108 15 T N -4.425 110.145 114.554 0.027 0.000 2.932 15 T HA 0.652 4.992 4.350 -0.017 0.000 0.289 15 T C 0.887 175.612 174.700 0.042 0.000 1.039 15 T CA 1.154 63.271 62.100 0.028 0.000 1.024 15 T CB 1.319 70.201 68.868 0.023 0.000 1.090 15 T HN 1.990 nan 8.240 nan 0.000 0.496 16 Q N 0.329 120.153 119.800 0.040 0.000 2.481 16 Q HA -0.233 4.097 4.340 -0.017 0.000 0.258 16 Q C 0.793 176.844 176.000 0.085 0.000 0.961 16 Q CA 1.760 57.596 55.803 0.055 0.000 1.121 16 Q CB -2.935 25.833 28.738 0.050 0.000 1.503 16 Q HN 1.144 nan 8.270 nan 0.000 0.544 17 Q N -2.590 117.254 119.800 0.072 0.000 2.457 17 Q HA -0.246 4.084 4.340 -0.017 0.000 0.283 17 Q C 1.058 177.134 176.000 0.126 0.000 1.234 17 Q CA 1.273 57.124 55.803 0.081 0.000 0.877 17 Q CB -2.428 26.353 28.738 0.071 0.000 1.250 17 Q HN 0.896 nan 8.270 nan 0.000 0.481 18 L N -1.180 120.117 121.223 0.124 0.000 2.201 18 L HA -0.163 4.167 4.340 -0.017 0.000 0.212 18 L C 2.430 179.404 176.870 0.173 0.000 1.105 18 L CA 1.435 56.359 54.840 0.140 0.000 0.775 18 L CB -0.382 41.742 42.059 0.107 0.000 0.913 18 L HN 0.529 nan 8.230 nan 0.000 0.440 19 H N 0.003 119.102 119.070 0.048 0.000 2.293 19 H HA -0.172 4.374 4.556 -0.016 0.000 0.300 19 H C 2.158 177.515 175.328 0.049 0.000 1.082 19 H CA 1.310 57.379 56.048 0.035 0.000 1.308 19 H CB 0.405 30.169 29.762 0.003 0.000 1.375 19 H HN 0.346 nan 8.280 nan 0.000 0.495 20 A N 0.975 123.775 122.820 -0.033 0.000 2.019 20 A HA -0.061 4.249 4.320 -0.017 0.000 0.219 20 A C 2.558 180.293 177.584 0.251 0.000 1.164 20 A CA 1.251 53.227 52.037 -0.102 0.000 0.644 20 A CB -0.797 17.994 19.000 -0.347 0.000 0.805 20 A HN 0.593 nan 8.150 nan 0.000 0.449 21 A N -1.080 121.899 122.820 0.266 0.000 1.972 21 A HA 0.083 4.393 4.320 -0.017 0.000 0.219 21 A C 2.325 180.059 177.584 0.250 0.000 1.169 21 A CA 2.613 54.843 52.037 0.323 0.000 0.635 21 A CB -0.672 18.476 19.000 0.248 0.000 0.810 21 A HN 1.170 nan 8.150 nan 0.000 0.446 22 M N -1.054 118.643 119.600 0.162 0.000 2.561 22 M HA 0.683 5.153 4.480 -0.017 0.000 0.238 22 M C 1.075 177.437 176.300 0.103 0.000 1.131 22 M CA 0.721 56.089 55.300 0.115 0.000 1.046 22 M CB -2.031 30.625 32.600 0.094 0.000 1.532 22 M HN 0.801 nan 8.290 nan 0.000 0.497 23 A N 0.595 123.494 122.820 0.132 0.000 2.407 23 A HA 0.437 4.747 4.320 -0.017 0.000 0.248 23 A C 0.578 178.269 177.584 0.178 0.000 1.082 23 A CA -0.067 52.017 52.037 0.078 0.000 0.785 23 A CB 0.005 18.993 19.000 -0.021 0.000 1.020 23 A HN 0.543 nan 8.150 nan 0.000 0.489 24 D N -0.014 120.451 120.400 0.107 0.000 2.317 24 D HA 0.050 4.680 4.640 -0.017 0.000 0.211 24 D C 0.891 177.291 176.300 0.165 0.000 0.966 24 D CA 1.822 55.896 54.000 0.123 0.000 0.876 24 D CB 0.122 40.962 40.800 0.066 0.000 0.927 24 D HN 0.732 nan 8.370 nan 0.000 0.519 25 T N -3.757 110.872 114.554 0.124 0.000 2.906 25 T HA 0.284 4.624 4.350 -0.017 0.000 0.295 25 T C 0.621 175.294 174.700 -0.046 0.000 1.075 25 T CA -0.908 61.255 62.100 0.105 0.000 1.005 25 T CB 1.259 70.154 68.868 0.045 0.000 1.136 25 T HN -0.110 nan 8.240 nan 0.000 0.498 26 F N 1.230 121.087 119.950 -0.156 0.000 2.186 26 F HA 0.027 4.542 4.527 -0.019 0.000 0.299 26 F C 1.839 177.512 175.800 -0.212 0.000 1.090 26 F CA 1.019 58.787 58.000 -0.387 0.000 1.307 26 F CB -0.173 38.726 39.000 -0.168 0.000 1.019 26 F HN 0.523 nan 8.300 nan 0.000 0.489 27 L N 1.052 122.215 121.223 -0.101 0.000 2.012 27 L HA -0.223 4.107 4.340 -0.017 0.000 0.210 27 L C 2.279 179.004 176.870 -0.242 0.000 1.073 27 L CA 2.325 57.070 54.840 -0.157 0.000 0.748 27 L CB -1.277 40.763 42.059 -0.033 0.000 0.891 27 L HN 0.257 nan 8.230 nan 0.000 0.431 28 E N -1.438 118.647 120.200 -0.191 0.000 2.106 28 E HA -0.277 4.063 4.350 -0.017 0.000 0.192 28 E C 2.242 178.677 176.600 -0.275 0.000 0.984 28 E CA 1.477 57.764 56.400 -0.189 0.000 0.806 28 E CB -0.303 29.326 29.700 -0.117 0.000 0.750 28 E HN 0.712 nan 8.360 nan 0.000 0.458 29 H N -0.290 118.487 119.070 -0.488 0.000 2.319 29 H HA -0.110 4.434 4.556 -0.019 0.000 0.297 29 H C 1.941 176.950 175.328 -0.532 0.000 1.097 29 H CA 2.546 58.251 56.048 -0.571 0.000 1.285 29 H CB -0.162 29.005 29.762 -0.991 0.000 1.368 29 H HN 0.189 nan 8.280 nan 0.000 0.495 30 M N -0.883 118.284 119.600 -0.721 0.000 2.117 30 M HA -0.196 4.274 4.480 -0.017 0.000 0.262 30 M C 2.443 178.514 176.300 -0.380 0.000 1.065 30 M CA 1.512 56.454 55.300 -0.596 0.000 1.114 30 M CB -0.172 32.127 32.600 -0.502 0.000 1.361 30 M HN 0.439 nan 8.290 nan 0.000 0.408 31 C N -0.250 118.868 119.300 -0.303 0.000 2.419 31 C HA -0.085 4.365 4.460 -0.017 0.000 0.283 31 C C 2.439 177.320 174.990 -0.181 0.000 1.373 31 C CA 0.751 59.652 59.018 -0.195 0.000 1.781 31 C CB -1.308 26.344 27.740 -0.146 0.000 1.886 31 C HN 0.457 nan 8.230 nan 0.000 0.520 32 R N -0.051 120.299 120.500 -0.251 0.000 2.300 32 R HA 0.219 4.549 4.340 -0.017 0.000 0.199 32 R C 0.221 176.415 176.300 -0.178 0.000 0.920 32 R CA -0.093 55.890 56.100 -0.195 0.000 1.046 32 R CB -0.047 30.067 30.300 -0.309 0.000 0.984 32 R HN 0.480 nan 8.270 nan 0.000 0.493 33 L N 1.934 123.000 121.223 -0.263 0.000 2.525 33 L HA -0.035 4.295 4.340 -0.017 0.000 0.278 33 L C -0.032 176.774 176.870 -0.105 0.000 1.218 33 L CA 0.507 55.221 54.840 -0.211 0.000 0.878 33 L CB 0.130 42.045 42.059 -0.240 0.000 1.127 33 L HN -0.043 nan 8.230 nan 0.000 0.492 34 D N 3.144 123.505 120.400 -0.065 0.000 2.476 34 D HA 0.200 4.830 4.640 -0.017 0.000 0.251 34 D C 0.790 177.076 176.300 -0.024 0.000 1.291 34 D CA -0.545 53.436 54.000 -0.031 0.000 0.939 34 D CB 1.251 42.049 40.800 -0.003 0.000 1.221 34 D HN 0.450 nan 8.370 nan 0.000 0.567 35 I N -0.186 120.369 120.570 -0.026 0.000 2.657 35 I HA -0.079 4.081 4.170 -0.017 0.000 0.261 35 I C 0.402 176.512 176.117 -0.013 0.000 1.212 35 I CA 1.073 62.361 61.300 -0.019 0.000 1.453 35 I CB 0.159 38.147 38.000 -0.020 0.000 1.092 35 I HN 0.030 nan 8.210 nan 0.000 0.452 36 D N 1.024 121.417 120.400 -0.011 0.000 2.340 36 D HA 0.080 4.709 4.640 -0.017 0.000 0.217 36 D C 0.610 176.908 176.300 -0.004 0.000 1.081 36 D CA 0.361 54.356 54.000 -0.008 0.000 0.842 36 D CB 0.472 41.266 40.800 -0.010 0.000 0.934 36 D HN 0.268 nan 8.370 nan 0.000 0.511 37 S N 2.529 118.229 115.700 -0.001 0.000 2.464 37 S HA 0.282 4.742 4.470 -0.017 0.000 0.313 37 S C -2.550 172.055 174.600 0.008 0.000 1.078 37 S CA -1.439 56.766 58.200 0.008 0.000 1.096 37 S CB 0.639 63.850 63.200 0.017 0.000 1.032 37 S HN -0.109 nan 8.310 nan 0.000 0.498 38 P HA 0.321 nan 4.420 nan 0.000 0.275 38 P C -2.725 174.580 177.300 0.009 0.000 1.227 38 P CA -1.524 61.579 63.100 0.006 0.000 0.781 38 P CB 0.148 31.852 31.700 0.007 0.000 0.906 39 P HA 0.109 nan 4.420 nan 0.000 0.273 39 P C 0.626 177.927 177.300 0.002 0.000 1.250 39 P CA -0.102 62.999 63.100 0.003 0.000 0.793 39 P CB 0.187 31.879 31.700 -0.013 0.000 1.011 40 I N 0.328 120.895 120.570 -0.004 0.000 3.437 40 I HA 0.053 4.213 4.170 -0.017 0.000 0.274 40 I C 1.900 178.014 176.117 -0.005 0.000 1.215 40 I CA 0.341 61.636 61.300 -0.007 0.000 1.215 40 I CB -1.608 36.371 38.000 -0.035 0.000 1.441 40 I HN 0.502 nan 8.210 nan 0.000 0.677 41 T N 1.931 116.498 114.554 0.022 0.000 2.857 41 T HA 0.287 4.627 4.350 -0.017 0.000 0.266 41 T C 1.248 175.980 174.700 0.053 0.000 1.048 41 T CA 1.234 63.377 62.100 0.072 0.000 1.139 41 T CB -0.442 68.509 68.868 0.139 0.000 0.874 41 T HN 1.435 nan 8.240 nan 0.000 0.455 42 A N 2.448 125.205 122.820 -0.106 0.000 2.488 42 A HA 0.393 4.703 4.320 -0.017 0.000 0.249 42 A C 0.580 178.106 177.584 -0.098 0.000 1.083 42 A CA -0.154 51.725 52.037 -0.263 0.000 0.768 42 A CB 0.091 18.649 19.000 -0.737 0.000 1.017 42 A HN 0.232 nan 8.150 nan 0.000 0.496 43 R N 2.722 123.235 120.500 0.021 0.000 2.393 43 R HA 0.246 4.576 4.340 -0.017 0.000 0.315 43 R C -0.710 175.650 176.300 0.100 0.000 0.952 43 R CA -0.608 55.514 56.100 0.037 0.000 0.842 43 R CB 0.884 31.213 30.300 0.048 0.000 1.163 43 R HN 0.829 nan 8.270 nan 0.000 0.450 44 N N 1.105 119.847 118.700 0.070 0.000 2.409 44 N HA 0.012 4.742 4.740 -0.017 0.000 0.174 44 N C -0.387 175.197 175.510 0.123 0.000 1.037 44 N CA 0.670 53.781 53.050 0.101 0.000 0.898 44 N CB 0.464 38.995 38.487 0.074 0.000 1.010 44 N HN 0.464 nan 8.380 nan 0.000 0.445 45 T N 0.853 115.465 114.554 0.096 0.000 2.729 45 T HA 0.373 4.713 4.350 -0.017 0.000 0.296 45 T C 0.721 175.473 174.700 0.086 0.000 0.928 45 T CA -0.601 61.547 62.100 0.081 0.000 1.045 45 T CB 1.023 69.923 68.868 0.054 0.000 0.902 45 T HN 0.117 nan 8.240 nan 0.000 0.500 46 G N 3.058 111.909 108.800 0.086 0.000 2.380 46 G HA2 0.401 4.351 3.960 -0.017 0.000 0.242 46 G HA3 0.401 4.351 3.960 -0.017 0.000 0.242 46 G C -0.311 174.608 174.900 0.030 0.000 1.298 46 G CA -0.405 44.733 45.100 0.063 0.000 0.878 46 G HN 0.764 nan 8.290 nan 0.000 0.542 47 I N 2.177 122.747 120.570 0.001 0.000 2.362 47 I HA 0.304 4.464 4.170 -0.017 0.000 0.289 47 I C -0.095 176.023 176.117 0.002 0.000 0.994 47 I CA -0.466 60.840 61.300 0.010 0.000 1.158 47 I CB 1.707 39.718 38.000 0.018 0.000 1.315 47 I HN 0.234 nan 8.210 nan 0.000 0.451 48 I N 5.972 126.563 120.570 0.036 0.000 2.339 48 I HA 0.331 4.491 4.170 -0.017 0.000 0.290 48 I C -0.718 175.443 176.117 0.075 0.000 0.994 48 I CA -0.390 60.955 61.300 0.074 0.000 1.191 48 I CB 1.306 39.385 38.000 0.130 0.000 1.343 48 I HN 0.512 nan 8.210 nan 0.000 0.458 49 C N 4.165 123.505 119.300 0.067 0.000 2.322 49 C HA 0.405 4.855 4.460 -0.017 0.000 0.324 49 C C 0.694 175.734 174.990 0.084 0.000 1.284 49 C CA -0.577 58.480 59.018 0.065 0.000 1.606 49 C CB 1.024 28.790 27.740 0.042 0.000 2.251 49 C HN 0.667 nan 8.230 nan 0.000 0.502 50 T N 5.140 119.751 114.554 0.096 0.000 2.851 50 T HA 0.314 4.654 4.350 -0.017 0.000 0.298 50 T C 0.268 175.026 174.700 0.096 0.000 0.977 50 T CA -0.035 62.131 62.100 0.110 0.000 1.126 50 T CB 0.126 69.066 68.868 0.121 0.000 0.916 50 T HN 0.358 nan 8.240 nan 0.000 0.529 51 I N 2.932 123.563 120.570 0.103 0.000 2.385 51 I HA 0.670 4.830 4.170 -0.017 0.000 0.294 51 I C 0.913 177.103 176.117 0.121 0.000 0.988 51 I CA -0.199 61.155 61.300 0.091 0.000 1.265 51 I CB 0.836 38.879 38.000 0.072 0.000 1.388 51 I HN 0.829 nan 8.210 nan 0.000 0.480 52 G N 5.993 114.857 108.800 0.106 0.000 2.753 52 G HA2 0.444 4.394 3.960 -0.017 0.000 0.303 52 G HA3 0.444 4.394 3.960 -0.017 0.000 0.303 52 G C -2.611 172.356 174.900 0.111 0.000 1.242 52 G CA -0.314 44.869 45.100 0.139 0.000 0.810 52 G HN 0.262 nan 8.290 nan 0.000 0.515 53 P HA -0.038 nan 4.420 nan 0.000 0.216 53 P C 1.992 179.316 177.300 0.038 0.000 1.150 53 P CA 2.327 65.469 63.100 0.071 0.000 0.843 53 P CB 0.064 31.787 31.700 0.038 0.000 0.787 54 A N -0.375 122.462 122.820 0.029 0.000 2.015 54 A HA -0.099 4.211 4.320 -0.017 0.000 0.219 54 A C 1.892 179.486 177.584 0.017 0.000 1.163 54 A CA 2.055 54.099 52.037 0.011 0.000 0.646 54 A CB -0.936 18.067 19.000 0.005 0.000 0.806 54 A HN 0.357 nan 8.150 nan 0.000 0.448 55 S N -2.355 113.363 115.700 0.030 0.000 2.900 55 S HA 0.230 4.690 4.470 -0.017 0.000 0.253 55 S C 1.161 175.776 174.600 0.026 0.000 1.029 55 S CA 0.143 58.361 58.200 0.029 0.000 1.096 55 S CB -0.000 63.222 63.200 0.038 0.000 1.067 55 S HN 0.616 nan 8.310 nan 0.000 0.610 56 R N 2.457 122.970 120.500 0.021 0.000 2.237 56 R HA 0.191 4.521 4.340 -0.017 0.000 0.195 56 R C 0.806 177.100 176.300 -0.009 0.000 0.956 56 R CA 0.801 56.901 56.100 0.000 0.000 1.029 56 R CB -0.028 30.266 30.300 -0.011 0.000 0.972 56 R HN 0.435 nan 8.270 nan 0.000 0.493 57 S N -0.196 115.505 115.700 0.001 0.000 2.568 57 S HA 0.007 4.467 4.470 -0.017 0.000 0.282 57 S C 1.484 176.087 174.600 0.006 0.000 1.338 57 S CA -0.456 57.745 58.200 0.001 0.000 1.045 57 S CB 1.580 64.783 63.200 0.004 0.000 0.873 57 S HN 0.021 nan 8.310 nan 0.000 0.516 58 V N 3.144 123.060 119.914 0.003 0.000 2.282 58 V HA -0.163 3.946 4.120 -0.017 0.000 0.249 58 V C 3.285 179.389 176.094 0.016 0.000 1.057 58 V CA 2.744 65.049 62.300 0.008 0.000 1.032 58 V CB -2.079 29.743 31.823 -0.001 0.000 0.645 58 V HN 1.045 nan 8.190 nan 0.000 0.447 59 E N -0.439 119.768 120.200 0.011 0.000 2.077 59 E HA -0.286 4.054 4.350 -0.017 0.000 0.193 59 E C 2.151 178.769 176.600 0.030 0.000 0.989 59 E CA 2.100 58.510 56.400 0.016 0.000 0.800 59 E CB -1.284 28.422 29.700 0.009 0.000 0.746 59 E HN 0.681 nan 8.360 nan 0.000 0.452 60 T N 0.666 115.236 114.554 0.026 0.000 2.821 60 T HA 0.023 4.363 4.350 -0.017 0.000 0.267 60 T C 2.134 176.858 174.700 0.040 0.000 1.046 60 T CA 1.099 63.216 62.100 0.029 0.000 1.139 60 T CB -0.238 68.643 68.868 0.021 0.000 0.871 60 T HN 0.326 nan 8.240 nan 0.000 0.454 61 L N 0.412 121.660 121.223 0.041 0.000 2.083 61 L HA -0.088 4.242 4.340 -0.017 0.000 0.209 61 L C 2.634 179.556 176.870 0.087 0.000 1.083 61 L CA 1.291 56.162 54.840 0.051 0.000 0.752 61 L CB -0.397 41.689 42.059 0.045 0.000 0.899 61 L HN 0.207 nan 8.230 nan 0.000 0.433 62 K N -0.332 120.136 120.400 0.113 0.000 2.032 62 K HA -0.183 4.127 4.320 -0.017 0.000 0.209 62 K C 2.097 178.808 176.600 0.184 0.000 1.048 62 K CA 1.273 57.691 56.287 0.218 0.000 0.927 62 K CB -0.032 32.562 32.500 0.157 0.000 0.712 62 K HN 0.213 nan 8.250 nan 0.000 0.441 63 E N 0.298 120.560 120.200 0.105 0.000 2.106 63 E HA -0.130 4.210 4.350 -0.017 0.000 0.192 63 E C 2.016 178.633 176.600 0.028 0.000 0.984 63 E CA 0.902 57.342 56.400 0.066 0.000 0.806 63 E CB -0.065 29.666 29.700 0.050 0.000 0.750 63 E HN 0.298 nan 8.360 nan 0.000 0.458 64 M N 0.240 119.856 119.600 0.027 0.000 2.080 64 M HA -0.152 4.317 4.480 -0.017 0.000 0.260 64 M C 2.495 178.774 176.300 -0.035 0.000 1.068 64 M CA 1.254 56.556 55.300 0.004 0.000 1.109 64 M CB -0.903 31.706 32.600 0.014 0.000 1.342 64 M HN 0.090 nan 8.290 nan 0.000 0.405 65 I N -0.107 120.439 120.570 -0.040 0.000 2.179 65 I HA -0.306 3.854 4.170 -0.017 0.000 0.242 65 I C 2.344 178.342 176.117 -0.198 0.000 1.088 65 I CA 1.318 62.540 61.300 -0.130 0.000 1.357 65 I CB -0.348 37.565 38.000 -0.146 0.000 1.051 65 I HN 0.291 nan 8.210 nan 0.000 0.409 66 K N 0.293 120.597 120.400 -0.160 0.000 2.147 66 K HA -0.104 4.206 4.320 -0.017 0.000 0.205 66 K C 2.126 178.644 176.600 -0.137 0.000 1.049 66 K CA 1.438 57.630 56.287 -0.158 0.000 0.936 66 K CB -0.112 32.357 32.500 -0.053 0.000 0.722 66 K HN 0.152 nan 8.250 nan 0.000 0.446 67 S N -0.914 114.725 115.700 -0.102 0.000 2.489 67 S HA 0.023 4.483 4.470 -0.017 0.000 0.228 67 S C 1.189 175.690 174.600 -0.166 0.000 0.995 67 S CA 0.948 59.083 58.200 -0.109 0.000 0.934 67 S CB 0.507 63.682 63.200 -0.043 0.000 0.771 67 S HN 0.621 nan 8.310 nan 0.000 0.522 68 G N 0.987 109.695 108.800 -0.154 0.000 2.234 68 G HA2 -0.172 3.778 3.960 -0.017 0.000 0.153 68 G HA3 -0.172 3.778 3.960 -0.017 0.000 0.153 68 G C 0.046 174.888 174.900 -0.096 0.000 1.013 68 G CA -0.211 44.806 45.100 -0.139 0.000 0.712 68 G HN 0.401 nan 8.290 nan 0.000 0.491 69 M N 1.110 120.653 119.600 -0.095 0.000 2.252 69 M HA 0.326 4.796 4.480 -0.017 0.000 0.348 69 M C 0.969 177.157 176.300 -0.186 0.000 1.334 69 M CA 1.025 56.267 55.300 -0.096 0.000 1.071 69 M CB 0.113 32.678 32.600 -0.059 0.000 1.763 69 M HN 0.234 nan 8.290 nan 0.000 0.452 70 N N 2.696 121.249 118.700 -0.245 0.000 2.397 70 N HA 0.187 4.917 4.740 -0.017 0.000 0.190 70 N C -1.070 174.253 175.510 -0.312 0.000 1.099 70 N CA -0.190 52.539 53.050 -0.534 0.000 0.876 70 N CB 0.955 38.946 38.487 -0.827 0.000 1.143 70 N HN 0.410 nan 8.380 nan 0.000 0.468 71 V N 0.786 120.629 119.914 -0.118 0.000 2.623 71 V HA 0.684 4.794 4.120 -0.017 0.000 0.304 71 V C -0.962 175.140 176.094 0.014 0.000 1.054 71 V CA -1.273 61.021 62.300 -0.010 0.000 0.882 71 V CB 1.621 33.487 31.823 0.071 0.000 1.002 71 V HN 0.098 nan 8.190 nan 0.000 0.424 72 A N 4.712 127.539 122.820 0.012 0.000 2.252 72 A HA 0.703 5.013 4.320 -0.017 0.000 0.309 72 A C 0.052 177.647 177.584 0.019 0.000 1.285 72 A CA -0.474 51.578 52.037 0.024 0.000 0.900 72 A CB 0.322 19.334 19.000 0.020 0.000 1.157 72 A HN 0.854 nan 8.150 nan 0.000 0.536 73 R N 3.038 123.571 120.500 0.056 0.000 2.265 73 R HA 0.551 4.881 4.340 -0.017 0.000 0.319 73 R C -1.690 174.661 176.300 0.085 0.000 1.006 73 R CA -0.527 55.605 56.100 0.054 0.000 0.880 73 R CB 0.456 30.863 30.300 0.178 0.000 1.077 73 R HN 0.560 nan 8.270 nan 0.000 0.454 74 L N 4.167 125.436 121.223 0.076 0.000 2.298 74 L HA 0.301 4.631 4.340 -0.017 0.000 0.284 74 L C -0.185 176.800 176.870 0.191 0.000 1.013 74 L CA -0.506 54.417 54.840 0.137 0.000 0.824 74 L CB 1.431 43.585 42.059 0.159 0.000 1.221 74 L HN 0.561 nan 8.230 nan 0.000 0.418 75 N N 2.404 121.222 118.700 0.196 0.000 2.415 75 N HA 0.131 4.861 4.740 -0.017 0.000 0.246 75 N C 0.227 175.859 175.510 0.203 0.000 1.078 75 N CA -0.030 53.152 53.050 0.221 0.000 0.942 75 N CB 0.382 38.996 38.487 0.213 0.000 1.140 75 N HN 0.347 nan 8.380 nan 0.000 0.501 76 F N 1.295 121.228 119.950 -0.029 0.000 2.804 76 F HA 0.117 4.634 4.527 -0.017 0.000 0.303 76 F C 2.127 177.942 175.800 0.026 0.000 1.154 76 F CA 0.077 58.082 58.000 0.008 0.000 1.401 76 F CB -0.032 38.932 39.000 -0.059 0.000 1.106 76 F HN 0.453 nan 8.300 nan 0.000 0.568 77 S N -1.255 114.481 115.700 0.061 0.000 2.419 77 S HA -0.139 4.321 4.470 -0.017 0.000 0.235 77 S C 0.168 174.437 174.600 -0.551 0.000 1.019 77 S CA 1.182 59.239 58.200 -0.237 0.000 0.982 77 S CB -0.432 62.578 63.200 -0.317 0.000 0.789 77 S HN 0.445 nan 8.310 nan 0.000 0.490 78 H N -1.748 117.370 119.070 0.081 0.000 2.985 78 H HA 0.605 5.150 4.556 -0.017 0.000 0.360 78 H C 0.126 175.428 175.328 -0.044 0.000 1.221 78 H CA -0.216 55.829 56.048 -0.006 0.000 1.121 78 H CB 1.516 31.249 29.762 -0.049 0.000 1.854 78 H HN 0.220 nan 8.280 nan 0.000 0.551 79 G N 0.605 109.355 108.800 -0.083 0.000 2.712 79 G HA2 0.037 3.987 3.960 -0.017 0.000 0.686 79 G HA3 0.037 3.987 3.960 -0.017 0.000 0.686 79 G C -0.079 174.642 174.900 -0.299 0.000 1.181 79 G CA -0.561 44.302 45.100 -0.394 0.000 0.762 79 G HN 0.870 nan 8.290 nan 0.000 0.641 80 T N -1.054 113.338 114.554 -0.270 0.000 2.816 80 T HA 0.504 4.844 4.350 -0.017 0.000 0.282 80 T C 1.364 176.004 174.700 -0.100 0.000 0.993 80 T CA 0.563 62.572 62.100 -0.152 0.000 0.994 80 T CB 1.159 69.965 68.868 -0.104 0.000 1.025 80 T HN 0.673 nan 8.240 nan 0.000 0.529 81 H N -0.396 118.520 119.070 -0.257 0.000 2.353 81 H HA -0.091 4.455 4.556 -0.017 0.000 0.300 81 H C 2.327 177.550 175.328 -0.175 0.000 1.090 81 H CA 1.520 57.264 56.048 -0.506 0.000 1.327 81 H CB 0.193 29.565 29.762 -0.650 0.000 1.383 81 H HN 0.865 nan 8.280 nan 0.000 0.508 82 E N 0.593 120.841 120.200 0.081 0.000 2.097 82 E HA -0.261 4.078 4.350 -0.017 0.000 0.196 82 E C 1.979 178.637 176.600 0.097 0.000 1.000 82 E CA 1.250 57.715 56.400 0.109 0.000 0.804 82 E CB -0.148 29.595 29.700 0.072 0.000 0.740 82 E HN 0.456 nan 8.360 nan 0.000 0.454 83 Y N 0.903 121.139 120.300 -0.106 0.000 2.114 83 Y HA -0.261 4.279 4.550 -0.017 0.000 0.284 83 Y C 2.330 178.157 175.900 -0.122 0.000 1.143 83 Y CA 2.271 60.266 58.100 -0.176 0.000 1.135 83 Y CB -0.439 37.808 38.460 -0.356 0.000 0.980 83 Y HN 0.207 nan 8.280 nan 0.000 0.499 84 H N -0.468 118.595 119.070 -0.011 0.000 2.421 84 H HA -0.037 4.509 4.556 -0.017 0.000 0.298 84 H C 2.283 177.699 175.328 0.146 0.000 1.087 84 H CA 1.098 57.127 56.048 -0.033 0.000 1.330 84 H CB -0.710 28.974 29.762 -0.129 0.000 1.388 84 H HN 0.513 nan 8.280 nan 0.000 0.526 85 A N 0.777 123.828 122.820 0.384 0.000 1.930 85 A HA -0.159 4.151 4.320 -0.017 0.000 0.217 85 A C 2.381 180.038 177.584 0.122 0.000 1.175 85 A CA 1.534 53.773 52.037 0.337 0.000 0.627 85 A CB -0.269 18.968 19.000 0.395 0.000 0.815 85 A HN 0.486 nan 8.150 nan 0.000 0.443 86 E N -0.646 119.577 120.200 0.038 0.000 2.107 86 E HA -0.128 4.212 4.350 -0.017 0.000 0.191 86 E C 1.884 178.435 176.600 -0.082 0.000 0.982 86 E CA 1.446 57.825 56.400 -0.035 0.000 0.809 86 E CB -0.123 29.532 29.700 -0.075 0.000 0.756 86 E HN 0.527 nan 8.360 nan 0.000 0.459 87 T N 1.414 115.876 114.554 -0.153 0.000 2.652 87 T HA -0.170 4.170 4.350 -0.017 0.000 0.267 87 T C 1.884 176.574 174.700 -0.017 0.000 1.039 87 T CA 1.596 63.621 62.100 -0.125 0.000 1.153 87 T CB -0.238 68.551 68.868 -0.132 0.000 0.863 87 T HN 0.197 nan 8.240 nan 0.000 0.428 88 I N 0.885 121.477 120.570 0.035 0.000 2.208 88 I HA -0.199 3.961 4.170 -0.017 0.000 0.245 88 I C 2.639 178.769 176.117 0.021 0.000 1.097 88 I CA 1.355 62.679 61.300 0.040 0.000 1.363 88 I CB -0.376 37.656 38.000 0.053 0.000 1.051 88 I HN 0.207 nan 8.210 nan 0.000 0.413 89 K N 1.104 121.514 120.400 0.017 0.000 2.032 89 K HA -0.228 4.082 4.320 -0.017 0.000 0.209 89 K C 1.919 178.525 176.600 0.009 0.000 1.048 89 K CA 1.925 58.219 56.287 0.012 0.000 0.927 89 K CB -0.047 32.460 32.500 0.011 0.000 0.712 89 K HN 0.242 nan 8.250 nan 0.000 0.441 90 N N 0.511 119.210 118.700 -0.001 0.000 2.120 90 N HA -0.132 4.598 4.740 -0.017 0.000 0.188 90 N C 1.794 177.314 175.510 0.016 0.000 1.024 90 N CA 1.125 54.175 53.050 -0.000 0.000 0.852 90 N CB -0.469 38.007 38.487 -0.017 0.000 1.003 90 N HN -0.017 nan 8.380 nan 0.000 0.424 91 V N 1.468 121.393 119.914 0.019 0.000 2.282 91 V HA -0.261 3.849 4.120 -0.017 0.000 0.249 91 V C 2.279 178.404 176.094 0.050 0.000 1.057 91 V CA 1.712 64.033 62.300 0.034 0.000 1.032 91 V CB -0.359 31.482 31.823 0.030 0.000 0.645 91 V HN 0.314 nan 8.190 nan 0.000 0.447 92 R N -0.691 119.836 120.500 0.044 0.000 2.090 92 R HA -0.103 4.227 4.340 -0.017 0.000 0.228 92 R C 2.391 178.729 176.300 0.063 0.000 1.110 92 R CA 1.748 57.884 56.100 0.059 0.000 0.973 92 R CB -0.668 29.658 30.300 0.043 0.000 0.869 92 R HN 0.522 nan 8.270 nan 0.000 0.440 93 T N 1.099 115.677 114.554 0.039 0.000 2.684 93 T HA -0.175 4.165 4.350 -0.017 0.000 0.267 93 T C 1.993 176.711 174.700 0.030 0.000 1.036 93 T CA 1.519 63.634 62.100 0.025 0.000 1.148 93 T CB -0.302 68.570 68.868 0.007 0.000 0.863 93 T HN 0.373 nan 8.240 nan 0.000 0.436 94 A N 1.414 124.263 122.820 0.048 0.000 1.883 94 A HA -0.160 4.149 4.320 -0.017 0.000 0.217 94 A C 2.590 180.280 177.584 0.176 0.000 1.186 94 A CA 2.268 54.352 52.037 0.079 0.000 0.624 94 A CB -1.352 17.708 19.000 0.099 0.000 0.822 94 A HN 0.486 nan 8.150 nan 0.000 0.444 95 T N -0.030 114.638 114.554 0.189 0.000 2.737 95 T HA -0.084 4.256 4.350 -0.017 0.000 0.265 95 T C 1.621 176.549 174.700 0.380 0.000 1.038 95 T CA 1.480 63.737 62.100 0.260 0.000 1.144 95 T CB -0.229 68.731 68.868 0.152 0.000 0.866 95 T HN 0.435 nan 8.240 nan 0.000 0.434 96 E N 1.587 121.943 120.200 0.260 0.000 2.482 96 E HA 0.004 4.344 4.350 -0.017 0.000 0.196 96 E C 2.361 179.028 176.600 0.113 0.000 1.047 96 E CA 0.401 56.939 56.400 0.230 0.000 0.869 96 E CB -0.450 29.320 29.700 0.116 0.000 0.836 96 E HN 0.650 nan 8.360 nan 0.000 0.520 97 S N -0.462 115.232 115.700 -0.010 0.000 2.507 97 S HA -0.073 4.387 4.470 -0.017 0.000 0.235 97 S C 1.364 175.759 174.600 -0.341 0.000 0.988 97 S CA 0.444 58.500 58.200 -0.240 0.000 0.944 97 S CB -0.369 62.585 63.200 -0.410 0.000 0.762 97 S HN 0.135 nan 8.310 nan 0.000 0.526 98 F N 0.984 121.021 119.950 0.146 0.000 2.695 98 F HA 0.582 5.100 4.527 -0.016 0.000 0.303 98 F C 2.261 178.225 175.800 0.274 0.000 1.091 98 F CA -0.307 57.801 58.000 0.181 0.000 1.300 98 F CB -0.298 38.793 39.000 0.152 0.000 1.071 98 F HN 0.257 nan 8.300 nan 0.000 0.578 99 A N 0.130 123.153 122.820 0.337 0.000 2.070 99 A HA -0.159 4.151 4.320 -0.017 0.000 0.220 99 A C 2.353 179.943 177.584 0.010 0.000 1.159 99 A CA 1.710 53.783 52.037 0.060 0.000 0.656 99 A CB -0.925 18.016 19.000 -0.099 0.000 0.800 99 A HN 0.369 nan 8.150 nan 0.000 0.453 100 S N -0.694 115.041 115.700 0.059 0.000 2.419 100 S HA -0.116 4.344 4.470 -0.017 0.000 0.233 100 S C 0.562 175.194 174.600 0.054 0.000 1.016 100 S CA 1.084 59.304 58.200 0.032 0.000 0.974 100 S CB -0.225 62.992 63.200 0.028 0.000 0.786 100 S HN 0.448 nan 8.310 nan 0.000 0.492 101 D N 1.812 122.278 120.400 0.109 0.000 2.464 101 D HA 0.456 5.086 4.640 -0.017 0.000 0.243 101 D C -2.245 174.166 176.300 0.185 0.000 1.104 101 D CA -2.601 51.476 54.000 0.129 0.000 0.883 101 D CB 1.713 42.591 40.800 0.129 0.000 1.050 101 D HN -0.016 nan 8.370 nan 0.000 0.524 102 P HA 0.005 nan 4.420 nan 0.000 0.222 102 P C 1.563 179.108 177.300 0.409 0.000 1.147 102 P CA 0.535 63.806 63.100 0.285 0.000 0.790 102 P CB 0.405 32.232 31.700 0.212 0.000 0.780 103 I N -1.282 119.462 120.570 0.290 0.000 2.286 103 I HA -0.202 3.957 4.170 -0.017 0.000 0.248 103 I C 1.954 178.097 176.117 0.043 0.000 1.115 103 I CA 1.458 62.798 61.300 0.067 0.000 1.392 103 I CB -0.329 37.685 38.000 0.024 0.000 1.065 103 I HN -0.084 nan 8.210 nan 0.000 0.418 104 L N -1.341 119.949 121.223 0.112 0.000 2.590 104 L HA 0.056 4.386 4.340 -0.017 0.000 0.227 104 L C 0.643 177.589 176.870 0.127 0.000 1.099 104 L CA -0.354 54.540 54.840 0.090 0.000 0.872 104 L CB -0.209 41.898 42.059 0.080 0.000 1.088 104 L HN 0.158 nan 8.230 nan 0.000 0.479 105 Y N 2.627 122.973 120.300 0.076 0.000 2.620 105 Y HA 0.051 4.592 4.550 -0.016 0.000 0.330 105 Y C 0.346 176.246 175.900 0.001 0.000 1.186 105 Y CA -0.106 58.038 58.100 0.074 0.000 1.467 105 Y CB 0.316 38.847 38.460 0.118 0.000 1.262 105 Y HN -0.003 nan 8.280 nan 0.000 0.550 106 R N 7.851 128.006 120.500 -0.575 0.000 2.295 106 R HA 0.356 4.686 4.340 -0.017 0.000 0.324 106 R C -2.585 173.244 176.300 -0.786 0.000 0.968 106 R CA -1.952 53.821 56.100 -0.544 0.000 0.837 106 R CB 0.956 31.016 30.300 -0.400 0.000 1.133 106 R HN 0.496 nan 8.270 nan 0.000 0.450 107 P HA 0.077 nan 4.420 nan 0.000 0.271 107 P C -0.838 176.474 177.300 0.020 0.000 1.218 107 P CA -0.315 62.673 63.100 -0.187 0.000 0.780 107 P CB 0.853 32.562 31.700 0.016 0.000 0.901 108 V N 1.889 121.813 119.914 0.016 0.000 2.525 108 V HA 0.594 4.704 4.120 -0.017 0.000 0.299 108 V C 0.214 176.355 176.094 0.077 0.000 1.034 108 V CA -0.857 61.457 62.300 0.024 0.000 0.863 108 V CB 1.470 33.275 31.823 -0.031 0.000 0.999 108 V HN 0.698 nan 8.190 nan 0.000 0.423 109 A N 4.563 127.448 122.820 0.108 0.000 2.286 109 A HA 0.827 5.137 4.320 -0.017 0.000 0.286 109 A C -0.466 177.132 177.584 0.024 0.000 1.097 109 A CA -0.416 51.671 52.037 0.083 0.000 0.821 109 A CB 1.109 20.183 19.000 0.124 0.000 1.076 109 A HN 0.713 nan 8.150 nan 0.000 0.490 110 V N 0.818 120.728 119.914 -0.007 0.000 2.448 110 V HA 0.663 4.773 4.120 -0.017 0.000 0.295 110 V C 0.277 176.298 176.094 -0.122 0.000 1.025 110 V CA -0.099 62.174 62.300 -0.044 0.000 0.859 110 V CB 1.255 33.060 31.823 -0.030 0.000 0.988 110 V HN 1.226 nan 8.190 nan 0.000 0.431 111 A N 5.250 127.947 122.820 -0.205 0.000 2.355 111 A HA 0.865 5.175 4.320 -0.017 0.000 0.317 111 A C -1.054 176.281 177.584 -0.414 0.000 1.094 111 A CA -0.554 51.202 52.037 -0.468 0.000 0.764 111 A CB 1.459 19.921 19.000 -0.896 0.000 1.230 111 A HN 0.917 nan 8.150 nan 0.000 0.448 112 L N 2.686 123.639 121.223 -0.450 0.000 2.294 112 L HA 0.458 4.788 4.340 -0.017 0.000 0.283 112 L C -1.185 175.491 176.870 -0.322 0.000 1.015 112 L CA -0.516 54.106 54.840 -0.364 0.000 0.831 112 L CB 1.029 42.797 42.059 -0.485 0.000 1.217 112 L HN 0.735 nan 8.230 nan 0.000 0.420 113 D N 4.085 124.415 120.400 -0.118 0.000 2.329 113 D HA 0.200 4.830 4.640 -0.017 0.000 0.232 113 D C -0.245 176.100 176.300 0.075 0.000 1.088 113 D CA -0.099 53.937 54.000 0.060 0.000 0.835 113 D CB 1.714 42.643 40.800 0.215 0.000 1.078 113 D HN 0.624 nan 8.370 nan 0.000 0.495 114 T N 0.934 115.517 114.554 0.049 0.000 2.899 114 T HA 0.156 4.496 4.350 -0.017 0.000 0.295 114 T C 1.320 176.071 174.700 0.085 0.000 1.033 114 T CA -0.560 61.564 62.100 0.039 0.000 1.084 114 T CB 2.141 71.016 68.868 0.012 0.000 0.979 114 T HN 0.409 nan 8.240 nan 0.000 0.532 115 K N 1.984 122.438 120.400 0.090 0.000 2.002 115 K HA 0.157 4.467 4.320 -0.017 0.000 0.209 115 K C 1.179 177.787 176.600 0.015 0.000 1.048 115 K CA 1.384 57.695 56.287 0.039 0.000 0.930 115 K CB -1.040 31.477 32.500 0.027 0.000 0.714 115 K HN 1.211 nan 8.250 nan 0.000 0.438 116 G N 0.191 109.007 108.800 0.027 0.000 2.796 116 G HA2 -0.181 3.769 3.960 -0.017 0.000 0.571 116 G HA3 -0.181 3.769 3.960 -0.017 0.000 0.571 116 G C -2.725 172.162 174.900 -0.023 0.000 1.370 116 G CA -0.491 44.625 45.100 0.028 0.000 0.856 116 G HN 0.223 nan 8.290 nan 0.000 0.538 117 P HA 0.415 nan 4.420 nan 0.000 0.271 117 P C -0.320 176.810 177.300 -0.283 0.000 1.216 117 P CA 0.353 63.397 63.100 -0.094 0.000 0.771 117 P CB 0.975 32.680 31.700 0.009 0.000 0.864 118 E N 1.707 121.765 120.200 -0.237 0.000 2.340 118 E HA 0.481 4.821 4.350 -0.017 0.000 0.273 118 E C -0.634 175.825 176.600 -0.234 0.000 0.891 118 E CA -0.783 55.458 56.400 -0.266 0.000 0.757 118 E CB 2.013 31.618 29.700 -0.159 0.000 1.231 118 E HN 0.345 nan 8.360 nan 0.000 0.439 119 I N 2.446 122.866 120.570 -0.249 0.000 2.359 119 I HA 0.454 4.614 4.170 -0.017 0.000 0.294 119 I C -0.083 175.968 176.117 -0.110 0.000 0.987 119 I CA -0.773 60.420 61.300 -0.178 0.000 1.225 119 I CB 0.806 38.691 38.000 -0.191 0.000 1.366 119 I HN 0.158 nan 8.210 nan 0.000 0.466 120 R N 3.253 123.705 120.500 -0.080 0.000 2.744 120 R HA 0.501 4.831 4.340 -0.017 0.000 0.279 120 R C -0.249 176.035 176.300 -0.026 0.000 0.977 120 R CA -0.643 55.441 56.100 -0.026 0.000 0.906 120 R CB 2.373 32.687 30.300 0.023 0.000 1.197 120 R HN 0.795 nan 8.270 nan 0.000 0.463 121 T N -1.536 113.043 114.554 0.041 0.000 2.771 121 T HA 0.640 4.980 4.350 -0.017 0.000 0.290 121 T C 0.726 175.608 174.700 0.304 0.000 1.005 121 T CA -0.459 61.711 62.100 0.117 0.000 0.944 121 T CB 1.279 70.208 68.868 0.100 0.000 1.147 121 T HN 0.538 nan 8.240 nan 0.000 0.534 139 T N -0.787 113.777 114.554 0.017 0.000 2.956 139 T HA 0.769 5.109 4.350 -0.017 0.000 0.312 139 T C -1.397 173.316 174.700 0.021 0.000 1.151 139 T CA -0.074 62.037 62.100 0.018 0.000 1.024 139 T CB 1.153 70.031 68.868 0.016 0.000 1.140 139 T HN 2.199 nan 8.240 nan 0.000 0.473 140 L N 1.319 122.556 121.223 0.023 0.000 2.526 140 L HA 0.841 5.171 4.340 -0.017 0.000 0.263 140 L C -0.493 176.393 176.870 0.026 0.000 0.943 140 L CA -0.740 54.116 54.840 0.027 0.000 0.859 140 L CB 1.492 43.569 42.059 0.030 0.000 1.313 140 L HN 0.981 nan 8.230 nan 0.000 0.406 141 K N 4.257 124.675 120.400 0.029 0.000 2.206 141 K HA 0.930 5.240 4.320 -0.017 0.000 0.264 141 K C -0.360 176.260 176.600 0.033 0.000 0.967 141 K CA 0.186 56.489 56.287 0.027 0.000 0.844 141 K CB 1.147 33.663 32.500 0.028 0.000 1.099 141 K HN 1.461 nan 8.250 nan 0.000 0.441 142 I N 1.377 121.959 120.570 0.021 0.000 2.315 142 I HA 0.855 5.015 4.170 -0.017 0.000 0.291 142 I C 0.677 176.802 176.117 0.013 0.000 1.006 142 I CA -0.005 61.303 61.300 0.014 0.000 1.265 142 I CB 0.277 38.271 38.000 -0.011 0.000 1.387 142 I HN 1.118 nan 8.210 nan 0.000 0.475 143 T N 3.435 118.015 114.554 0.042 0.000 2.856 143 T HA 0.677 5.017 4.350 -0.017 0.000 0.283 143 T C 0.534 175.274 174.700 0.066 0.000 1.008 143 T CA -0.471 61.669 62.100 0.068 0.000 0.997 143 T CB 0.889 69.829 68.868 0.120 0.000 0.992 143 T HN 0.719 nan 8.240 nan 0.000 0.454 144 L N 1.023 122.272 121.223 0.044 0.000 2.607 144 L HA 0.185 4.515 4.340 -0.017 0.000 0.228 144 L C 0.640 177.686 176.870 0.294 0.000 1.123 144 L CA -0.324 54.534 54.840 0.030 0.000 0.890 144 L CB 0.192 42.224 42.059 -0.045 0.000 1.103 144 L HN 0.657 nan 8.230 nan 0.000 0.468 145 D N 1.618 122.183 120.400 0.274 0.000 2.368 145 D HA -0.028 4.602 4.640 -0.017 0.000 0.268 145 D C 1.212 177.656 176.300 0.241 0.000 1.298 145 D CA 0.621 54.752 54.000 0.218 0.000 0.938 145 D CB 0.637 41.513 40.800 0.126 0.000 1.101 145 D HN 0.210 nan 8.370 nan 0.000 0.509 146 N N 2.973 121.778 118.700 0.174 0.000 2.609 146 N HA -0.007 4.722 4.740 -0.017 0.000 0.190 146 N C 1.569 176.944 175.510 -0.225 0.000 1.157 146 N CA 0.977 53.974 53.050 -0.087 0.000 0.918 146 N CB -0.162 38.332 38.487 0.012 0.000 0.978 146 N HN 0.526 nan 8.380 nan 0.000 0.448 147 A N -1.104 121.652 122.820 -0.107 0.000 2.021 147 A HA 0.313 4.623 4.320 -0.017 0.000 0.216 147 A C 2.098 179.607 177.584 -0.125 0.000 1.163 147 A CA 1.473 53.447 52.037 -0.106 0.000 0.676 147 A CB -0.729 18.244 19.000 -0.045 0.000 0.818 147 A HN 1.036 nan 8.150 nan 0.000 0.453 148 Y N -0.913 119.328 120.300 -0.100 0.000 2.465 148 Y HA 0.434 4.974 4.550 -0.017 0.000 0.311 148 Y C 1.942 177.718 175.900 -0.206 0.000 1.204 148 Y CA 0.749 58.814 58.100 -0.059 0.000 1.272 148 Y CB -0.909 37.605 38.460 0.089 0.000 1.083 148 Y HN 0.486 nan 8.280 nan 0.000 0.508 149 M N -0.426 118.839 119.600 -0.558 0.000 2.123 149 M HA -0.127 4.343 4.480 -0.017 0.000 0.263 149 M C 1.190 177.206 176.300 -0.474 0.000 1.069 149 M CA 2.334 57.006 55.300 -1.047 0.000 1.133 149 M CB 0.145 32.034 32.600 -1.184 0.000 1.356 149 M HN 0.515 nan 8.290 nan 0.000 0.415 150 E N -0.197 119.830 120.200 -0.288 0.000 2.476 150 E HA 0.068 4.408 4.350 -0.017 0.000 0.196 150 E C 0.132 176.684 176.600 -0.080 0.000 1.029 150 E CA -0.027 56.284 56.400 -0.149 0.000 0.896 150 E CB 0.478 30.098 29.700 -0.133 0.000 1.012 150 E HN 0.374 nan 8.360 nan 0.000 0.475 151 K N 0.812 121.169 120.400 -0.071 0.000 3.147 151 K HA 0.274 4.584 4.320 -0.017 0.000 0.214 151 K C -0.462 176.148 176.600 0.017 0.000 1.221 151 K CA -0.337 55.935 56.287 -0.025 0.000 1.117 151 K CB -0.838 31.645 32.500 -0.028 0.000 1.278 151 K HN 0.059 nan 8.250 nan 0.000 0.479 152 C N 2.334 121.655 119.300 0.034 0.000 2.514 152 C HA 0.729 5.179 4.460 -0.017 0.000 0.392 152 C C 0.213 175.232 174.990 0.049 0.000 1.294 152 C CA -0.287 58.773 59.018 0.069 0.000 1.957 152 C CB -0.224 27.572 27.740 0.094 0.000 2.541 152 C HN 0.961 nan 8.230 nan 0.000 0.569 153 D N 0.581 121.011 120.400 0.051 0.000 2.946 153 D HA 0.391 5.021 4.640 -0.017 0.000 0.337 153 D C 0.535 176.857 176.300 0.037 0.000 1.332 153 D CA -0.036 53.987 54.000 0.037 0.000 0.935 153 D CB 0.284 41.100 40.800 0.027 0.000 1.440 153 D HN 0.291 nan 8.370 nan 0.000 0.540 154 E N -1.575 118.642 120.200 0.029 0.000 2.418 154 E HA 0.045 4.385 4.350 -0.017 0.000 0.197 154 E C 1.506 178.123 176.600 0.028 0.000 1.026 154 E CA 1.837 58.254 56.400 0.027 0.000 0.862 154 E CB -1.551 28.162 29.700 0.021 0.000 0.799 154 E HN 0.615 nan 8.360 nan 0.000 0.518 155 N N -0.756 117.962 118.700 0.029 0.000 2.463 155 N HA 0.479 5.209 4.740 -0.017 0.000 0.183 155 N C 0.866 176.398 175.510 0.037 0.000 1.064 155 N CA 0.747 53.814 53.050 0.029 0.000 0.879 155 N CB 0.497 38.999 38.487 0.024 0.000 1.148 155 N HN 0.990 nan 8.380 nan 0.000 0.451 156 I N 0.689 121.286 120.570 0.046 0.000 2.410 156 I HA 0.798 4.958 4.170 -0.017 0.000 0.286 156 I C -0.955 175.212 176.117 0.083 0.000 1.009 156 I CA -1.167 60.171 61.300 0.063 0.000 1.111 156 I CB 0.857 38.897 38.000 0.065 0.000 1.262 156 I HN 0.338 nan 8.210 nan 0.000 0.443 157 L N 6.298 127.575 121.223 0.090 0.000 2.325 157 L HA 0.777 5.107 4.340 -0.017 0.000 0.281 157 L C -0.723 176.240 176.870 0.155 0.000 1.004 157 L CA -1.049 53.859 54.840 0.113 0.000 0.823 157 L CB 1.298 43.400 42.059 0.071 0.000 1.236 157 L HN 0.822 nan 8.230 nan 0.000 0.415 158 W N 6.672 127.982 121.300 0.017 0.000 2.376 158 W HA 0.651 5.302 4.660 -0.016 0.000 0.322 158 W C -1.443 175.091 176.519 0.025 0.000 1.160 158 W CA -0.380 56.976 57.345 0.018 0.000 1.218 158 W CB 0.868 30.336 29.460 0.014 0.000 1.205 158 W HN 0.468 nan 8.180 nan 0.000 0.559 159 L N 5.049 125.713 121.223 -0.931 0.000 2.333 159 L HA 0.299 4.629 4.340 -0.017 0.000 0.263 159 L C 0.536 176.452 176.870 -1.591 0.000 1.014 159 L CA -0.843 53.456 54.840 -0.902 0.000 0.820 159 L CB 2.100 43.911 42.059 -0.413 0.000 1.352 159 L HN 0.532 nan 8.230 nan 0.000 0.421 160 D N -0.753 119.080 120.400 -0.946 0.000 2.368 160 D HA -0.063 4.567 4.640 -0.017 0.000 0.218 160 D C -0.096 176.108 176.300 -0.160 0.000 1.112 160 D CA 0.067 53.717 54.000 -0.584 0.000 0.834 160 D CB -0.074 40.622 40.800 -0.173 0.000 0.953 160 D HN 0.407 nan 8.370 nan 0.000 0.505 161 Y N 1.063 121.184 120.300 -0.300 0.000 2.595 161 Y HA 0.204 4.744 4.550 -0.017 0.000 0.336 161 Y C 0.982 176.799 175.900 -0.139 0.000 0.996 161 Y CA -0.736 57.266 58.100 -0.164 0.000 1.260 161 Y CB 0.914 39.293 38.460 -0.135 0.000 1.108 161 Y HN -0.262 nan 8.280 nan 0.000 0.509 162 K N 2.060 122.334 120.400 -0.210 0.000 2.283 162 K HA -0.105 4.205 4.320 -0.017 0.000 0.202 162 K C 0.696 177.057 176.600 -0.399 0.000 1.048 162 K CA 1.256 57.397 56.287 -0.243 0.000 0.948 162 K CB -0.294 32.147 32.500 -0.098 0.000 0.742 162 K HN 0.718 nan 8.250 nan 0.000 0.458 163 N N 0.326 118.586 118.700 -0.733 0.000 2.314 163 N HA 0.227 4.957 4.740 -0.017 0.000 0.200 163 N C 1.069 176.131 175.510 -0.747 0.000 1.135 163 N CA -0.022 52.644 53.050 -0.639 0.000 0.835 163 N CB -0.184 38.055 38.487 -0.414 0.000 0.989 163 N HN 0.294 nan 8.380 nan 0.000 0.478 164 I N -0.305 119.734 120.570 -0.884 0.000 2.315 164 I HA -0.367 3.792 4.170 -0.017 0.000 0.251 164 I C 1.208 177.221 176.117 -0.174 0.000 1.125 164 I CA 1.202 62.253 61.300 -0.415 0.000 1.392 164 I CB 0.122 38.017 38.000 -0.176 0.000 1.065 164 I HN 0.161 nan 8.210 nan 0.000 0.424 165 C N 1.097 120.292 119.300 -0.176 0.000 2.450 165 C HA -0.073 4.377 4.460 -0.017 0.000 0.279 165 C C 3.124 178.068 174.990 -0.077 0.000 1.335 165 C CA 1.223 60.181 59.018 -0.099 0.000 1.749 165 C CB -1.402 26.285 27.740 -0.088 0.000 1.963 165 C HN 0.621 nan 8.230 nan 0.000 0.501 166 K N 0.422 120.765 120.400 -0.096 0.000 2.097 166 K HA 0.075 4.385 4.320 -0.017 0.000 0.206 166 K C 1.922 178.506 176.600 -0.027 0.000 1.049 166 K CA 1.896 58.148 56.287 -0.058 0.000 0.933 166 K CB -1.278 31.184 32.500 -0.063 0.000 0.717 166 K HN 0.550 nan 8.250 nan 0.000 0.442 167 V N -0.161 119.745 119.914 -0.015 0.000 2.788 167 V HA 0.537 4.647 4.120 -0.017 0.000 0.251 167 V C 1.524 177.630 176.094 0.020 0.000 1.068 167 V CA 1.439 63.762 62.300 0.038 0.000 1.090 167 V CB -0.547 31.361 31.823 0.143 0.000 0.710 167 V HN 0.574 nan 8.190 nan 0.000 0.467 168 V N -0.119 119.795 119.914 0.001 0.000 2.581 168 V HA 0.903 5.013 4.120 -0.017 0.000 0.303 168 V C -0.140 175.942 176.094 -0.019 0.000 1.041 168 V CA -0.144 62.150 62.300 -0.010 0.000 0.907 168 V CB 0.904 32.721 31.823 -0.010 0.000 0.994 168 V HN 0.637 nan 8.190 nan 0.000 0.442 169 E N 2.186 122.373 120.200 -0.021 0.000 2.303 169 E HA 0.861 5.201 4.350 -0.017 0.000 0.254 169 E C 0.086 176.675 176.600 -0.018 0.000 0.979 169 E CA -0.402 55.986 56.400 -0.020 0.000 0.843 169 E CB 1.267 30.954 29.700 -0.021 0.000 1.245 169 E HN 2.499 nan 8.360 nan 0.000 0.413 170 V N -0.181 119.724 119.914 -0.015 0.000 2.493 170 V HA 0.473 4.583 4.120 -0.017 0.000 0.292 170 V C 1.636 177.724 176.094 -0.011 0.000 1.016 170 V CA 1.598 63.891 62.300 -0.011 0.000 1.097 170 V CB -0.351 31.466 31.823 -0.009 0.000 0.947 170 V HN 2.002 nan 8.190 nan 0.000 0.479 171 G N 2.553 111.348 108.800 -0.009 0.000 2.232 171 G HA2 0.090 4.040 3.960 -0.017 0.000 0.226 171 G HA3 0.090 4.040 3.960 -0.017 0.000 0.226 171 G C 0.754 175.646 174.900 -0.013 0.000 0.996 171 G CA 0.480 45.576 45.100 -0.007 0.000 0.626 171 G HN 2.433 nan 8.290 nan 0.000 0.509 172 S N 0.259 115.946 115.700 -0.022 0.000 2.568 172 S HA 0.727 5.187 4.470 -0.017 0.000 0.282 172 S C 0.441 175.019 174.600 -0.037 0.000 1.338 172 S CA 1.722 59.899 58.200 -0.037 0.000 1.045 172 S CB 0.276 63.452 63.200 -0.041 0.000 0.873 172 S HN 1.824 nan 8.310 nan 0.000 0.516 173 K N 1.455 121.812 120.400 -0.071 0.000 2.118 173 K HA 0.827 5.137 4.320 -0.017 0.000 0.254 173 K C -0.674 175.826 176.600 -0.165 0.000 0.961 173 K CA -0.486 55.756 56.287 -0.075 0.000 0.876 173 K CB 0.677 33.145 32.500 -0.052 0.000 1.077 173 K HN 0.717 nan 8.250 nan 0.000 0.440 174 I N 2.562 123.085 120.570 -0.078 0.000 2.500 174 I HA 0.341 4.501 4.170 -0.017 0.000 0.286 174 I C -1.329 174.871 176.117 0.137 0.000 1.063 174 I CA -1.126 60.137 61.300 -0.061 0.000 1.062 174 I CB 1.515 39.516 38.000 0.001 0.000 1.223 174 I HN 0.580 nan 8.210 nan 0.000 0.435 175 Y N 5.264 125.576 120.300 0.019 0.000 2.361 175 Y HA 0.645 5.184 4.550 -0.019 0.000 0.332 175 Y C 0.214 176.118 175.900 0.007 0.000 1.101 175 Y CA -1.390 56.719 58.100 0.015 0.000 1.137 175 Y CB 1.598 40.070 38.460 0.020 0.000 1.207 175 Y HN 0.137 nan 8.280 nan 0.000 0.463 176 V N 1.825 121.837 119.914 0.164 0.000 2.735 176 V HA 0.326 4.436 4.120 -0.017 0.000 0.310 176 V C -0.709 175.420 176.094 0.058 0.000 1.061 176 V CA -1.332 61.019 62.300 0.086 0.000 0.913 176 V CB 1.793 33.654 31.823 0.064 0.000 1.005 176 V HN 0.801 nan 8.190 nan 0.000 0.428 177 D N 3.341 123.767 120.400 0.044 0.000 3.357 177 D HA -0.137 4.493 4.640 -0.017 0.000 0.238 177 D C 0.513 176.831 176.300 0.029 0.000 1.126 177 D CA 2.090 56.109 54.000 0.032 0.000 0.984 177 D CB -0.948 39.868 40.800 0.027 0.000 0.925 177 D HN 1.460 nan 8.370 nan 0.000 0.414 178 D N 0.676 121.097 120.400 0.034 0.000 2.745 178 D HA 0.166 4.796 4.640 -0.017 0.000 0.225 178 D C 1.848 178.163 176.300 0.025 0.000 1.212 178 D CA 1.850 55.871 54.000 0.035 0.000 0.632 178 D CB -1.751 39.066 40.800 0.028 0.000 0.994 178 D HN 2.006 nan 8.370 nan 0.000 0.407 179 G N -2.955 105.867 108.800 0.037 0.000 2.253 179 G HA2 0.013 3.963 3.960 -0.017 0.000 0.251 179 G HA3 0.013 3.963 3.960 -0.017 0.000 0.251 179 G C 2.207 177.041 174.900 -0.111 0.000 0.998 179 G CA 1.948 47.015 45.100 -0.055 0.000 0.621 179 G HN 2.173 nan 8.290 nan 0.000 0.524 180 L N -0.139 121.058 121.223 -0.044 0.000 2.129 180 L HA 0.527 4.857 4.340 -0.017 0.000 0.212 180 L C 1.608 178.450 176.870 -0.047 0.000 1.087 180 L CA 2.378 57.193 54.840 -0.042 0.000 0.757 180 L CB -0.719 41.333 42.059 -0.013 0.000 0.896 180 L HN 0.595 nan 8.230 nan 0.000 0.434 181 I N -1.366 119.189 120.570 -0.026 0.000 2.646 181 I HA 0.579 4.739 4.170 -0.017 0.000 0.299 181 I C -0.149 175.977 176.117 0.016 0.000 1.036 181 I CA -0.684 60.613 61.300 -0.004 0.000 1.074 181 I CB 1.866 39.882 38.000 0.026 0.000 1.258 181 I HN 0.083 nan 8.210 nan 0.000 0.430 182 S N 5.492 121.212 115.700 0.033 0.000 2.521 182 S HA 0.834 5.294 4.470 -0.017 0.000 0.295 182 S C -1.011 173.665 174.600 0.126 0.000 1.098 182 S CA -0.509 57.757 58.200 0.110 0.000 0.999 182 S CB 0.872 64.079 63.200 0.012 0.000 1.034 182 S HN 0.469 nan 8.310 nan 0.000 0.483 183 L N 2.870 124.195 121.223 0.170 0.000 2.376 183 L HA 0.648 4.978 4.340 -0.017 0.000 0.258 183 L C -0.534 176.387 176.870 0.085 0.000 1.013 183 L CA -0.882 54.017 54.840 0.099 0.000 0.822 183 L CB 2.246 44.350 42.059 0.074 0.000 1.388 183 L HN 0.558 nan 8.230 nan 0.000 0.413 184 Q N 0.747 120.579 119.800 0.053 0.000 2.413 184 Q HA 0.798 5.128 4.340 -0.017 0.000 0.276 184 Q C -1.052 174.959 176.000 0.020 0.000 1.099 184 Q CA -0.507 55.317 55.803 0.035 0.000 0.814 184 Q CB 2.878 31.637 28.738 0.035 0.000 1.379 184 Q HN 0.605 nan 8.270 nan 0.000 0.436 192 F N -0.226 119.713 119.950 -0.019 0.000 2.662 192 F HA 0.935 5.452 4.527 -0.017 0.000 0.312 192 F C -1.622 174.169 175.800 -0.015 0.000 1.113 192 F CA -1.513 56.481 58.000 -0.010 0.000 0.951 192 F CB 1.686 40.688 39.000 0.004 0.000 1.344 192 F HN 0.284 nan 8.300 nan 0.000 0.462 193 L N 2.135 123.353 121.223 -0.009 0.000 2.464 193 L HA 0.745 5.075 4.340 -0.017 0.000 0.266 193 L C -0.177 176.693 176.870 0.001 0.000 0.965 193 L CA -1.193 53.642 54.840 -0.009 0.000 0.833 193 L CB 1.525 43.575 42.059 -0.016 0.000 1.296 193 L HN 1.105 nan 8.230 nan 0.000 0.405 194 V N 1.585 121.501 119.914 0.002 0.000 2.350 194 V HA 0.779 4.889 4.120 -0.017 0.000 0.276 194 V C 0.169 176.268 176.094 0.009 0.000 1.028 194 V CA -0.179 62.126 62.300 0.007 0.000 0.860 194 V CB 1.510 33.337 31.823 0.006 0.000 0.990 194 V HN 0.672 nan 8.190 nan 0.000 0.453 195 T N 1.410 115.973 114.554 0.014 0.000 2.916 195 T HA 0.784 5.124 4.350 -0.017 0.000 0.298 195 T C -0.416 174.297 174.700 0.021 0.000 1.031 195 T CA 0.250 62.360 62.100 0.018 0.000 0.993 195 T CB 1.299 70.179 68.868 0.021 0.000 1.045 195 T HN 1.642 nan 8.240 nan 0.000 0.454 196 E N 1.978 122.192 120.200 0.022 0.000 2.227 196 E HA 0.565 4.905 4.350 -0.017 0.000 0.282 196 E C 0.023 176.641 176.600 0.030 0.000 1.015 196 E CA -0.965 55.449 56.400 0.023 0.000 0.823 196 E CB 1.041 30.753 29.700 0.021 0.000 1.081 196 E HN 0.827 nan 8.360 nan 0.000 0.396 197 V N 2.905 122.836 119.914 0.029 0.000 2.381 197 V HA 0.396 4.506 4.120 -0.017 0.000 0.257 197 V C 1.754 177.867 176.094 0.031 0.000 1.057 197 V CA 0.948 63.268 62.300 0.032 0.000 1.013 197 V CB -0.139 31.700 31.823 0.027 0.000 1.069 197 V HN 1.020 nan 8.190 nan 0.000 0.484 198 E N 3.051 123.275 120.200 0.040 0.000 2.427 198 E HA 0.099 4.439 4.350 -0.017 0.000 0.196 198 E C 0.929 177.542 176.600 0.021 0.000 1.028 198 E CA 1.032 57.453 56.400 0.036 0.000 0.864 198 E CB -0.399 29.334 29.700 0.055 0.000 0.813 198 E HN 1.023 nan 8.360 nan 0.000 0.514 199 N N -0.412 118.296 118.700 0.015 0.000 2.812 199 N HA 0.522 5.252 4.740 -0.017 0.000 0.262 199 N C 0.135 175.644 175.510 -0.001 0.000 1.241 199 N CA -0.181 52.867 53.050 -0.003 0.000 0.854 199 N CB 0.738 39.207 38.487 -0.029 0.000 1.506 199 N HN 0.603 nan 8.380 nan 0.000 0.576 200 G N -0.325 108.477 108.800 0.002 0.000 2.606 200 G HA2 0.824 4.774 3.960 -0.017 0.000 0.252 200 G HA3 0.824 4.774 3.960 -0.017 0.000 0.252 200 G C 0.692 175.594 174.900 0.002 0.000 1.206 200 G CA 0.352 45.456 45.100 0.006 0.000 0.861 200 G HN 1.519 nan 8.290 nan 0.000 0.561 201 G N -1.472 107.332 108.800 0.007 0.000 2.441 201 G HA2 0.442 4.392 3.960 -0.017 0.000 0.294 201 G HA3 0.442 4.392 3.960 -0.017 0.000 0.294 201 G C -0.772 174.133 174.900 0.009 0.000 1.393 201 G CA -0.524 44.580 45.100 0.005 0.000 0.796 201 G HN 0.790 nan 8.290 nan 0.000 0.494 202 S N 0.112 115.817 115.700 0.009 0.000 2.443 202 S HA 0.309 4.769 4.470 -0.017 0.000 0.284 202 S C -0.037 174.573 174.600 0.016 0.000 1.206 202 S CA -0.212 57.995 58.200 0.011 0.000 1.074 202 S CB 0.757 63.962 63.200 0.009 0.000 0.963 202 S HN 0.648 nan 8.310 nan 0.000 0.501 203 L N 5.298 126.533 121.223 0.020 0.000 2.260 203 L HA 0.661 4.991 4.340 -0.017 0.000 0.289 203 L C 0.571 177.459 176.870 0.029 0.000 1.057 203 L CA 0.193 55.049 54.840 0.027 0.000 0.811 203 L CB 0.156 42.235 42.059 0.032 0.000 1.184 203 L HN 0.639 nan 8.230 nan 0.000 0.429 204 G N 2.914 111.732 108.800 0.030 0.000 2.702 204 G HA2 0.525 4.475 3.960 -0.017 0.000 0.254 204 G HA3 0.525 4.475 3.960 -0.017 0.000 0.254 204 G C -0.970 173.955 174.900 0.041 0.000 1.380 204 G CA -0.611 44.507 45.100 0.030 0.000 1.042 204 G HN 0.593 nan 8.290 nan 0.000 0.557 205 S N -0.413 115.311 115.700 0.039 0.000 2.508 205 S HA 0.509 4.969 4.470 -0.017 0.000 0.284 205 S C 0.540 175.174 174.600 0.057 0.000 1.192 205 S CA 0.412 58.642 58.200 0.050 0.000 1.070 205 S CB 1.184 64.406 63.200 0.037 0.000 1.004 205 S HN 1.604 nan 8.310 nan 0.000 0.493 206 K N 1.113 121.562 120.400 0.080 0.000 3.257 206 K HA -0.172 4.138 4.320 -0.017 0.000 0.270 206 K C -0.395 176.240 176.600 0.059 0.000 0.984 206 K CA 1.154 57.490 56.287 0.081 0.000 0.739 206 K CB -2.254 30.287 32.500 0.070 0.000 1.351 206 K HN 0.415 nan 8.250 nan 0.000 0.463 207 K N -0.087 120.345 120.400 0.054 0.000 2.110 207 K HA 0.618 4.928 4.320 -0.017 0.000 0.263 207 K C 1.040 177.652 176.600 0.021 0.000 0.975 207 K CA -0.133 56.177 56.287 0.038 0.000 0.895 207 K CB 1.588 34.111 32.500 0.038 0.000 1.060 207 K HN 0.638 nan 8.250 nan 0.000 0.448 208 G N 0.648 109.455 108.800 0.011 0.000 2.398 208 G HA2 0.323 4.273 3.960 -0.017 0.000 0.246 208 G HA3 0.323 4.273 3.960 -0.017 0.000 0.246 208 G C -0.506 174.389 174.900 -0.008 0.000 1.289 208 G CA -0.308 44.783 45.100 -0.015 0.000 0.869 208 G HN 0.226 nan 8.290 nan 0.000 0.543 209 V N 2.763 122.655 119.914 -0.037 0.000 2.680 209 V HA 0.397 4.507 4.120 -0.017 0.000 0.309 209 V C -0.432 175.637 176.094 -0.042 0.000 1.052 209 V CA -1.015 61.274 62.300 -0.018 0.000 0.908 209 V CB 2.147 33.954 31.823 -0.028 0.000 1.001 209 V HN 0.799 nan 8.190 nan 0.000 0.431 210 N N 3.336 122.043 118.700 0.011 0.000 2.269 210 N HA 0.685 5.415 4.740 -0.017 0.000 0.304 210 N C -1.149 174.320 175.510 -0.068 0.000 1.072 210 N CA -0.592 52.456 53.050 -0.003 0.000 0.802 210 N CB 2.115 40.653 38.487 0.086 0.000 1.348 210 N HN 0.547 nan 8.380 nan 0.000 0.484 211 L N 2.446 123.630 121.223 -0.065 0.000 2.435 211 L HA 0.442 4.772 4.340 -0.017 0.000 0.253 211 L C -2.213 174.599 176.870 -0.097 0.000 1.087 211 L CA -1.787 52.995 54.840 -0.097 0.000 0.950 211 L CB 0.603 42.655 42.059 -0.012 0.000 1.304 211 L HN 0.280 nan 8.230 nan 0.000 0.453 212 P HA -0.028 nan 4.420 nan 0.000 0.262 212 P C 1.055 178.309 177.300 -0.077 0.000 1.182 212 P CA 1.063 64.103 63.100 -0.100 0.000 0.761 212 P CB 1.053 32.593 31.700 -0.266 0.000 0.795 213 G N 1.888 110.673 108.800 -0.025 0.000 2.245 213 G HA2 -0.254 3.696 3.960 -0.017 0.000 0.264 213 G HA3 -0.254 3.696 3.960 -0.017 0.000 0.264 213 G C 0.434 175.274 174.900 -0.099 0.000 0.985 213 G CA 0.251 45.211 45.100 -0.233 0.000 0.625 213 G HN 0.919 nan 8.290 nan 0.000 0.536 214 A N 0.259 123.059 122.820 -0.033 0.000 2.388 214 A HA 0.785 5.095 4.320 -0.017 0.000 0.257 214 A C 0.888 178.481 177.584 0.015 0.000 1.095 214 A CA 0.911 52.947 52.037 -0.002 0.000 0.791 214 A CB 0.749 19.766 19.000 0.028 0.000 1.029 214 A HN 1.987 nan 8.150 nan 0.000 0.489 215 A N 2.904 125.732 122.820 0.014 0.000 2.915 215 A HA 0.473 4.783 4.320 -0.017 0.000 0.292 215 A C 0.164 177.781 177.584 0.055 0.000 1.632 215 A CA -0.278 51.766 52.037 0.013 0.000 1.337 215 A CB -0.963 18.040 19.000 0.005 0.000 1.111 215 A HN 0.840 nan 8.150 nan 0.000 0.569 216 V N 3.239 123.191 119.914 0.063 0.000 2.485 216 V HA 0.021 4.131 4.120 -0.017 0.000 0.287 216 V C 0.967 177.119 176.094 0.097 0.000 1.022 216 V CA 0.734 63.097 62.300 0.105 0.000 1.067 216 V CB 0.778 32.692 31.823 0.151 0.000 0.967 216 V HN 0.939 nan 8.190 nan 0.000 0.479 217 D N 4.237 124.741 120.400 0.173 0.000 2.424 217 D HA 0.083 4.713 4.640 -0.017 0.000 0.220 217 D C 0.415 176.806 176.300 0.153 0.000 1.150 217 D CA -0.357 53.730 54.000 0.144 0.000 0.831 217 D CB -0.039 40.846 40.800 0.141 0.000 0.981 217 D HN 0.434 nan 8.370 nan 0.000 0.500 218 L N 0.691 121.983 121.223 0.114 0.000 2.529 218 L HA 0.102 4.432 4.340 -0.017 0.000 0.287 218 L C -1.657 175.267 176.870 0.090 0.000 1.241 218 L CA -1.094 53.794 54.840 0.081 0.000 0.857 218 L CB -0.285 41.755 42.059 -0.032 0.000 1.113 218 L HN -0.115 nan 8.230 nan 0.000 0.504 219 P HA -0.042 nan 4.420 nan 0.000 0.267 219 P C 0.140 177.482 177.300 0.070 0.000 1.200 219 P CA 0.057 63.196 63.100 0.066 0.000 0.772 219 P CB 0.682 32.416 31.700 0.058 0.000 0.855 220 A N 2.825 125.677 122.820 0.053 0.000 1.948 220 A HA -0.068 4.242 4.320 -0.017 0.000 0.220 220 A C 0.870 178.489 177.584 0.059 0.000 1.177 220 A CA 2.150 54.215 52.037 0.047 0.000 0.636 220 A CB -1.063 17.951 19.000 0.023 0.000 0.815 220 A HN 0.517 nan 8.150 nan 0.000 0.449 221 V N -2.477 117.468 119.914 0.051 0.000 2.709 221 V HA 0.676 4.786 4.120 -0.017 0.000 0.308 221 V C -0.065 176.056 176.094 0.045 0.000 1.062 221 V CA -0.490 61.839 62.300 0.047 0.000 0.901 221 V CB 1.258 33.104 31.823 0.037 0.000 1.003 221 V HN 0.564 nan 8.190 nan 0.000 0.425 222 S N 1.984 117.709 115.700 0.042 0.000 2.655 222 S HA 0.373 4.833 4.470 -0.017 0.000 0.265 222 S C 0.785 175.410 174.600 0.042 0.000 1.240 222 S CA 0.101 58.323 58.200 0.038 0.000 0.986 222 S CB 1.074 64.291 63.200 0.028 0.000 0.985 222 S HN 0.843 nan 8.310 nan 0.000 0.562 223 E N 0.575 120.799 120.200 0.041 0.000 2.058 223 E HA -0.205 4.135 4.350 -0.017 0.000 0.194 223 E C 2.002 178.633 176.600 0.051 0.000 0.997 223 E CA 1.353 57.779 56.400 0.043 0.000 0.801 223 E CB -0.201 29.522 29.700 0.038 0.000 0.746 223 E HN 0.740 nan 8.360 nan 0.000 0.450 224 K N 0.801 121.231 120.400 0.051 0.000 2.032 224 K HA -0.211 4.099 4.320 -0.017 0.000 0.209 224 K C 1.683 178.340 176.600 0.095 0.000 1.048 224 K CA 1.908 58.237 56.287 0.069 0.000 0.927 224 K CB 0.044 32.580 32.500 0.060 0.000 0.712 224 K HN -0.011 nan 8.250 nan 0.000 0.441 225 D N 0.831 121.273 120.400 0.070 0.000 2.104 225 D HA -0.191 4.439 4.640 -0.017 0.000 0.194 225 D C 1.966 178.297 176.300 0.052 0.000 0.994 225 D CA 1.439 55.471 54.000 0.054 0.000 0.830 225 D CB -0.270 40.553 40.800 0.039 0.000 0.959 225 D HN 0.304 nan 8.370 nan 0.000 0.452 226 I N 0.870 121.473 120.570 0.055 0.000 2.151 226 I HA -0.339 3.821 4.170 -0.017 0.000 0.243 226 I C 2.476 178.641 176.117 0.080 0.000 1.080 226 I CA 1.389 62.722 61.300 0.055 0.000 1.339 226 I CB -0.299 37.731 38.000 0.051 0.000 1.039 226 I HN 0.022 nan 8.210 nan 0.000 0.409 227 Q N 0.230 120.097 119.800 0.111 0.000 2.119 227 Q HA -0.202 4.127 4.340 -0.017 0.000 0.201 227 Q C 1.762 177.913 176.000 0.252 0.000 0.972 227 Q CA 1.435 57.346 55.803 0.181 0.000 0.847 227 Q CB -0.111 28.737 28.738 0.183 0.000 0.903 227 Q HN 0.505 nan 8.270 nan 0.000 0.433 228 D N 0.608 121.133 120.400 0.208 0.000 2.149 228 D HA -0.090 4.540 4.640 -0.017 0.000 0.201 228 D C 1.898 178.181 176.300 -0.028 0.000 0.972 228 D CA 0.833 54.917 54.000 0.140 0.000 0.835 228 D CB -0.057 40.797 40.800 0.090 0.000 0.966 228 D HN 0.207 nan 8.370 nan 0.000 0.476 229 L N 0.709 121.915 121.223 -0.029 0.000 2.083 229 L HA -0.173 4.157 4.340 -0.017 0.000 0.209 229 L C 2.565 179.422 176.870 -0.021 0.000 1.083 229 L CA 1.060 55.866 54.840 -0.058 0.000 0.752 229 L CB -0.395 41.643 42.059 -0.036 0.000 0.899 229 L HN -0.037 nan 8.230 nan 0.000 0.433 230 K N 0.203 120.627 120.400 0.039 0.000 2.057 230 K HA -0.229 4.081 4.320 -0.017 0.000 0.207 230 K C 2.032 178.659 176.600 0.044 0.000 1.049 230 K CA 1.458 57.773 56.287 0.048 0.000 0.931 230 K CB -0.773 31.780 32.500 0.088 0.000 0.714 230 K HN 0.385 nan 8.250 nan 0.000 0.440 231 F N 1.115 121.012 119.950 -0.089 0.000 2.126 231 F HA 0.048 4.565 4.527 -0.017 0.000 0.299 231 F C 2.227 177.936 175.800 -0.153 0.000 1.096 231 F CA 1.931 59.833 58.000 -0.162 0.000 1.255 231 F CB -0.905 37.823 39.000 -0.452 0.000 0.997 231 F HN 0.288 nan 8.300 nan 0.000 0.479 232 G N 0.184 108.891 108.800 -0.155 0.000 2.491 232 G HA2 -0.263 3.687 3.960 -0.017 0.000 0.218 232 G HA3 -0.263 3.687 3.960 -0.017 0.000 0.218 232 G C 1.758 176.525 174.900 -0.222 0.000 1.180 232 G CA 1.484 46.439 45.100 -0.241 0.000 0.774 232 G HN 0.345 nan 8.290 nan 0.000 0.562 233 V N 0.902 120.726 119.914 -0.149 0.000 2.332 233 V HA -0.219 3.891 4.120 -0.017 0.000 0.248 233 V C 2.684 178.695 176.094 -0.138 0.000 1.055 233 V CA 2.412 64.644 62.300 -0.114 0.000 1.038 233 V CB -0.642 31.141 31.823 -0.066 0.000 0.651 233 V HN 0.498 nan 8.190 nan 0.000 0.450 234 E N -0.421 119.675 120.200 -0.172 0.000 2.106 234 E HA -0.189 4.151 4.350 -0.017 0.000 0.192 234 E C 2.125 178.579 176.600 -0.244 0.000 0.984 234 E CA 0.865 57.159 56.400 -0.176 0.000 0.806 234 E CB -0.110 29.494 29.700 -0.160 0.000 0.750 234 E HN 0.551 nan 8.360 nan 0.000 0.458 235 Q N 0.563 120.130 119.800 -0.389 0.000 2.403 235 Q HA -0.048 4.282 4.340 -0.017 0.000 0.203 235 Q C -0.253 175.621 176.000 -0.209 0.000 0.932 235 Q CA 0.366 55.949 55.803 -0.367 0.000 0.945 235 Q CB 0.373 28.752 28.738 -0.599 0.000 1.045 235 Q HN 0.178 nan 8.270 nan 0.000 0.511 236 D N 0.215 120.515 120.400 -0.167 0.000 2.746 236 D HA -0.144 4.486 4.640 -0.017 0.000 0.236 236 D C -0.236 176.008 176.300 -0.093 0.000 1.129 236 D CA 0.559 54.496 54.000 -0.105 0.000 0.691 236 D CB -1.317 39.439 40.800 -0.074 0.000 1.077 236 D HN 0.165 nan 8.370 nan 0.000 0.432 237 V N -2.568 117.274 119.914 -0.120 0.000 3.051 237 V HA 0.306 4.416 4.120 -0.017 0.000 0.306 237 V C 1.425 177.470 176.094 -0.081 0.000 1.083 237 V CA 0.311 62.546 62.300 -0.109 0.000 1.104 237 V CB 1.329 33.062 31.823 -0.151 0.000 1.027 237 V HN 0.042 nan 8.190 nan 0.000 0.483 238 D N 2.557 122.916 120.400 -0.068 0.000 2.271 238 D HA 0.153 4.783 4.640 -0.017 0.000 0.206 238 D C 0.657 176.934 176.300 -0.038 0.000 0.967 238 D CA 1.595 55.576 54.000 -0.032 0.000 0.867 238 D CB 0.426 41.227 40.800 0.001 0.000 0.960 238 D HN 0.833 nan 8.370 nan 0.000 0.509 239 M N -1.642 117.899 119.600 -0.099 0.000 2.643 239 M HA 0.426 4.896 4.480 -0.017 0.000 0.276 239 M C -2.049 174.127 176.300 -0.205 0.000 1.200 239 M CA -0.863 54.380 55.300 -0.095 0.000 0.863 239 M CB 2.706 35.293 32.600 -0.021 0.000 1.711 239 M HN -0.416 nan 8.290 nan 0.000 0.492 240 V N 2.265 122.111 119.914 -0.113 0.000 2.540 240 V HA 0.573 4.683 4.120 -0.017 0.000 0.302 240 V C -1.352 174.802 176.094 0.099 0.000 1.035 240 V CA -0.383 61.843 62.300 -0.123 0.000 0.873 240 V CB 1.952 33.730 31.823 -0.075 0.000 0.992 240 V HN 0.681 nan 8.190 nan 0.000 0.428 241 F N 3.521 123.449 119.950 -0.036 0.000 2.303 241 F HA 0.651 5.169 4.527 -0.014 0.000 0.368 241 F C 0.711 176.503 175.800 -0.013 0.000 1.105 241 F CA -1.532 56.458 58.000 -0.017 0.000 1.153 241 F CB 0.804 39.803 39.000 -0.000 0.000 1.362 241 F HN 0.507 nan 8.300 nan 0.000 0.511 242 A N 2.484 125.400 122.820 0.161 0.000 2.309 242 A HA 0.553 4.863 4.320 -0.017 0.000 0.290 242 A C 0.437 178.078 177.584 0.095 0.000 1.206 242 A CA -0.351 51.739 52.037 0.089 0.000 0.850 242 A CB 0.168 19.195 19.000 0.046 0.000 1.118 242 A HN 0.566 nan 8.150 nan 0.000 0.523 243 S N 1.173 116.938 115.700 0.108 0.000 2.580 243 S HA 0.400 4.860 4.470 -0.017 0.000 0.274 243 S C 0.140 174.865 174.600 0.207 0.000 1.329 243 S CA 0.110 58.395 58.200 0.143 0.000 1.036 243 S CB -0.134 63.142 63.200 0.126 0.000 0.919 243 S HN 1.374 nan 8.310 nan 0.000 0.515 244 F N 1.281 121.229 119.950 -0.003 0.000 3.071 244 F HA -0.166 4.351 4.527 -0.018 0.000 0.295 244 F C -0.533 175.255 175.800 -0.019 0.000 0.919 244 F CA -0.179 57.811 58.000 -0.015 0.000 1.050 244 F CB -1.240 37.745 39.000 -0.025 0.000 1.040 244 F HN 0.418 nan 8.300 nan 0.000 0.692 245 I N 2.078 122.600 120.570 -0.081 0.000 2.452 245 I HA 0.061 4.221 4.170 -0.017 0.000 0.287 245 I C 1.461 177.445 176.117 -0.221 0.000 1.079 245 I CA 0.439 61.660 61.300 -0.132 0.000 1.387 245 I CB 1.030 38.984 38.000 -0.077 0.000 1.404 245 I HN 0.347 nan 8.210 nan 0.000 0.522 246 R N 4.977 125.324 120.500 -0.254 0.000 2.307 246 R HA 0.166 4.496 4.340 -0.017 0.000 0.200 246 R C -0.161 176.048 176.300 -0.153 0.000 0.893 246 R CA 0.274 56.223 56.100 -0.252 0.000 1.042 246 R CB 0.572 30.680 30.300 -0.322 0.000 1.059 246 R HN 0.627 nan 8.270 nan 0.000 0.530 247 K N -2.569 117.748 120.400 -0.139 0.000 2.615 247 K HA 0.491 4.801 4.320 -0.017 0.000 0.291 247 K C -0.135 176.374 176.600 -0.152 0.000 1.017 247 K CA -0.326 55.891 56.287 -0.116 0.000 0.882 247 K CB 0.996 33.446 32.500 -0.083 0.000 1.522 247 K HN -0.157 nan 8.250 nan 0.000 0.412 248 A N 0.959 123.684 122.820 -0.159 0.000 1.940 248 A HA -0.202 4.108 4.320 -0.017 0.000 0.219 248 A C 2.113 179.445 177.584 -0.421 0.000 1.176 248 A CA 2.502 54.373 52.037 -0.278 0.000 0.631 248 A CB -1.137 17.769 19.000 -0.157 0.000 0.814 248 A HN 0.848 nan 8.150 nan 0.000 0.446 249 S N 0.014 115.627 115.700 -0.145 0.000 2.447 249 S HA -0.151 4.309 4.470 -0.017 0.000 0.233 249 S C 1.270 175.840 174.600 -0.052 0.000 1.006 249 S CA 1.257 59.456 58.200 -0.002 0.000 0.957 249 S CB -0.421 62.821 63.200 0.070 0.000 0.773 249 S HN 0.539 nan 8.310 nan 0.000 0.507 250 D N 1.987 122.330 120.400 -0.096 0.000 2.117 250 D HA -0.037 4.593 4.640 -0.017 0.000 0.198 250 D C 2.197 178.446 176.300 -0.086 0.000 0.982 250 D CA 1.159 55.119 54.000 -0.068 0.000 0.828 250 D CB -0.630 40.125 40.800 -0.074 0.000 0.967 250 D HN 0.378 nan 8.370 nan 0.000 0.464 251 V N 1.061 120.869 119.914 -0.177 0.000 2.287 251 V HA -0.277 3.833 4.120 -0.017 0.000 0.248 251 V C 2.090 178.117 176.094 -0.111 0.000 1.053 251 V CA 1.834 64.027 62.300 -0.177 0.000 1.027 251 V CB -0.960 30.700 31.823 -0.273 0.000 0.646 251 V HN 0.303 nan 8.190 nan 0.000 0.447 252 H N -0.438 118.621 119.070 -0.019 0.000 2.387 252 H HA -0.129 4.418 4.556 -0.016 0.000 0.299 252 H C 2.497 177.821 175.328 -0.007 0.000 1.090 252 H CA 1.285 57.325 56.048 -0.013 0.000 1.332 252 H CB 0.059 29.812 29.762 -0.014 0.000 1.386 252 H HN 0.325 nan 8.280 nan 0.000 0.516 253 E N 0.537 120.797 120.200 0.101 0.000 2.051 253 E HA -0.126 4.214 4.350 -0.017 0.000 0.192 253 E C 2.538 179.162 176.600 0.040 0.000 0.991 253 E CA 0.628 57.064 56.400 0.060 0.000 0.799 253 E CB -0.434 29.291 29.700 0.042 0.000 0.748 253 E HN 0.261 nan 8.360 nan 0.000 0.449 254 V N 1.093 121.022 119.914 0.024 0.000 2.343 254 V HA -0.263 3.847 4.120 -0.017 0.000 0.247 254 V C 2.551 178.657 176.094 0.019 0.000 1.051 254 V CA 1.963 64.272 62.300 0.015 0.000 1.036 254 V CB -0.437 31.388 31.823 0.003 0.000 0.654 254 V HN 0.139 nan 8.190 nan 0.000 0.451 255 R N 1.165 121.684 120.500 0.032 0.000 2.091 255 R HA -0.169 4.161 4.340 -0.017 0.000 0.238 255 R C 2.322 178.642 176.300 0.034 0.000 1.136 255 R CA 2.430 58.552 56.100 0.038 0.000 0.959 255 R CB -0.677 29.665 30.300 0.070 0.000 0.856 255 R HN 0.470 nan 8.270 nan 0.000 0.437 256 K N -0.164 120.261 120.400 0.042 0.000 2.026 256 K HA -0.019 4.291 4.320 -0.017 0.000 0.208 256 K C 2.204 178.817 176.600 0.022 0.000 1.048 256 K CA 1.764 58.069 56.287 0.030 0.000 0.929 256 K CB -1.194 31.327 32.500 0.035 0.000 0.713 256 K HN 0.132 nan 8.250 nan 0.000 0.439 257 V N 1.341 121.268 119.914 0.022 0.000 2.332 257 V HA -0.239 3.871 4.120 -0.017 0.000 0.248 257 V C 2.561 178.661 176.094 0.010 0.000 1.055 257 V CA 1.863 64.174 62.300 0.018 0.000 1.038 257 V CB -0.423 31.411 31.823 0.019 0.000 0.651 257 V HN 0.515 nan 8.190 nan 0.000 0.450 258 L N -0.573 120.653 121.223 0.004 0.000 2.093 258 L HA 0.145 4.475 4.340 -0.017 0.000 0.208 258 L C 1.554 178.423 176.870 -0.003 0.000 1.085 258 L CA 1.041 55.878 54.840 -0.006 0.000 0.755 258 L CB -0.958 41.095 42.059 -0.010 0.000 0.904 258 L HN 0.604 nan 8.230 nan 0.000 0.435 259 G N -0.216 108.586 108.800 0.004 0.000 2.645 259 G HA2 -0.333 3.617 3.960 -0.017 0.000 0.246 259 G HA3 -0.333 3.617 3.960 -0.017 0.000 0.246 259 G C 0.580 175.481 174.900 0.001 0.000 1.322 259 G CA 0.275 45.378 45.100 0.005 0.000 0.898 259 G HN 0.216 nan 8.290 nan 0.000 0.573 260 E N 0.172 120.372 120.200 0.000 0.000 2.107 260 E HA -0.044 4.296 4.350 -0.017 0.000 0.191 260 E C 2.534 179.131 176.600 -0.005 0.000 0.982 260 E CA 1.528 57.927 56.400 -0.002 0.000 0.809 260 E CB -0.204 29.496 29.700 -0.001 0.000 0.756 260 E HN 0.574 nan 8.360 nan 0.000 0.459 261 K N -0.774 119.622 120.400 -0.007 0.000 2.211 261 K HA -0.051 4.259 4.320 -0.017 0.000 0.203 261 K C 1.705 178.295 176.600 -0.017 0.000 1.050 261 K CA 1.030 57.309 56.287 -0.013 0.000 0.945 261 K CB 0.017 32.508 32.500 -0.015 0.000 0.732 261 K HN 0.042 nan 8.250 nan 0.000 0.451 262 G N 1.706 110.497 108.800 -0.016 0.000 3.337 262 G HA2 -0.064 3.886 3.960 -0.017 0.000 0.246 262 G HA3 -0.064 3.886 3.960 -0.017 0.000 0.246 262 G C 0.968 175.862 174.900 -0.010 0.000 1.131 262 G CA -0.324 44.764 45.100 -0.020 0.000 0.773 262 G HN 0.258 nan 8.290 nan 0.000 0.544 263 K N 0.179 120.576 120.400 -0.004 0.000 2.218 263 K HA -0.080 4.230 4.320 -0.017 0.000 0.205 263 K C 1.256 177.860 176.600 0.008 0.000 1.046 263 K CA 1.196 57.485 56.287 0.003 0.000 0.933 263 K CB -0.082 32.420 32.500 0.003 0.000 0.728 263 K HN 0.057 nan 8.250 nan 0.000 0.454 264 N N 0.666 119.369 118.700 0.005 0.000 2.336 264 N HA 0.158 4.888 4.740 -0.017 0.000 0.189 264 N C -0.020 175.500 175.510 0.017 0.000 1.113 264 N CA 0.174 53.233 53.050 0.014 0.000 0.858 264 N CB 0.226 38.719 38.487 0.010 0.000 0.970 264 N HN 0.234 nan 8.380 nan 0.000 0.471 265 I N 1.898 122.471 120.570 0.004 0.000 2.471 265 I HA 0.011 4.171 4.170 -0.017 0.000 0.286 265 I C 0.452 176.577 176.117 0.013 0.000 1.079 265 I CA -0.320 60.978 61.300 -0.003 0.000 1.398 265 I CB 0.593 38.576 38.000 -0.028 0.000 1.403 265 I HN -0.334 nan 8.210 nan 0.000 0.530 266 K N 7.420 127.836 120.400 0.027 0.000 2.298 266 K HA 0.424 4.734 4.320 -0.017 0.000 0.280 266 K C -0.410 176.215 176.600 0.042 0.000 1.032 266 K CA -0.177 56.137 56.287 0.045 0.000 0.958 266 K CB 1.212 33.752 32.500 0.067 0.000 0.978 266 K HN 0.512 nan 8.250 nan 0.000 0.472 267 I N 4.608 125.202 120.570 0.039 0.000 2.330 267 I HA 0.182 4.342 4.170 -0.017 0.000 0.289 267 I C -0.182 175.965 176.117 0.050 0.000 1.001 267 I CA -0.704 60.621 61.300 0.041 0.000 1.193 267 I CB 0.926 38.936 38.000 0.015 0.000 1.345 267 I HN 0.198 nan 8.210 nan 0.000 0.461 268 I N 5.312 125.948 120.570 0.110 0.000 2.328 268 I HA 0.232 4.392 4.170 -0.017 0.000 0.287 268 I C 0.347 176.491 176.117 0.045 0.000 1.012 268 I CA -0.225 61.119 61.300 0.073 0.000 1.195 268 I CB 1.155 39.230 38.000 0.125 0.000 1.350 268 I HN 0.432 nan 8.210 nan 0.000 0.464 269 S N 6.549 122.241 115.700 -0.013 0.000 2.499 269 S HA 0.273 4.733 4.470 -0.017 0.000 0.275 269 S C 0.255 174.845 174.600 -0.016 0.000 1.257 269 S CA -0.621 57.569 58.200 -0.017 0.000 1.050 269 S CB 0.570 63.735 63.200 -0.059 0.000 0.937 269 S HN 0.358 nan 8.310 nan 0.000 0.490 270 K N 3.046 123.449 120.400 0.005 0.000 2.285 270 K HA 0.282 4.592 4.320 -0.017 0.000 0.286 270 K C -0.528 176.081 176.600 0.015 0.000 1.072 270 K CA -0.283 56.008 56.287 0.006 0.000 0.913 270 K CB 0.405 32.930 32.500 0.042 0.000 1.067 270 K HN 0.429 nan 8.250 nan 0.000 0.479 271 I N 3.918 124.498 120.570 0.017 0.000 2.301 271 I HA 0.070 4.230 4.170 -0.017 0.000 0.292 271 I C 0.713 176.831 176.117 0.002 0.000 1.046 271 I CA 0.318 61.627 61.300 0.016 0.000 1.282 271 I CB 0.715 38.750 38.000 0.058 0.000 1.409 271 I HN 0.765 nan 8.210 nan 0.000 0.484 272 E N 4.172 124.377 120.200 0.009 0.000 2.572 272 E HA 0.068 4.408 4.350 -0.017 0.000 0.220 272 E C 0.019 176.649 176.600 0.050 0.000 0.945 272 E CA -0.070 56.366 56.400 0.060 0.000 1.070 272 E CB 0.770 30.587 29.700 0.195 0.000 1.090 272 E HN 0.742 nan 8.360 nan 0.000 0.506 273 N N -1.044 117.645 118.700 -0.020 0.000 2.972 273 N HA 0.065 4.795 4.740 -0.017 0.000 0.262 273 N C 0.299 175.775 175.510 -0.056 0.000 1.478 273 N CA -0.482 52.558 53.050 -0.017 0.000 0.841 273 N CB 0.517 39.035 38.487 0.052 0.000 1.512 273 N HN -0.229 nan 8.380 nan 0.000 0.548 274 H N -0.294 118.756 119.070 -0.033 0.000 2.352 274 H HA -0.059 4.486 4.556 -0.018 0.000 0.299 274 H C 1.532 176.829 175.328 -0.051 0.000 1.097 274 H CA 2.582 58.606 56.048 -0.039 0.000 1.311 274 H CB 0.309 30.051 29.762 -0.033 0.000 1.377 274 H HN 0.800 nan 8.280 nan 0.000 0.504 275 E N 0.017 120.250 120.200 0.055 0.000 2.051 275 E HA -0.144 4.196 4.350 -0.017 0.000 0.192 275 E C 2.577 179.157 176.600 -0.033 0.000 0.991 275 E CA 1.052 57.446 56.400 -0.010 0.000 0.799 275 E CB -0.330 29.331 29.700 -0.064 0.000 0.748 275 E HN 0.516 nan 8.360 nan 0.000 0.449 276 G N 0.537 109.293 108.800 -0.073 0.000 2.442 276 G HA2 -0.261 3.689 3.960 -0.017 0.000 0.219 276 G HA3 -0.261 3.689 3.960 -0.017 0.000 0.219 276 G C 1.651 176.581 174.900 0.050 0.000 1.141 276 G CA 1.067 46.141 45.100 -0.044 0.000 0.763 276 G HN 0.256 nan 8.290 nan 0.000 0.554 277 V N 0.492 120.417 119.914 0.019 0.000 2.307 277 V HA -0.148 3.962 4.120 -0.017 0.000 0.245 277 V C 2.928 179.056 176.094 0.057 0.000 1.045 277 V CA 2.076 64.384 62.300 0.014 0.000 1.024 277 V CB -0.458 31.321 31.823 -0.073 0.000 0.651 277 V HN 0.307 nan 8.190 nan 0.000 0.449 278 R N -0.085 120.441 120.500 0.043 0.000 2.096 278 R HA -0.032 4.298 4.340 -0.017 0.000 0.235 278 R C 1.837 178.167 176.300 0.051 0.000 1.127 278 R CA 1.063 57.189 56.100 0.043 0.000 0.968 278 R CB -0.181 30.139 30.300 0.033 0.000 0.861 278 R HN 0.437 nan 8.270 nan 0.000 0.440 279 R N -0.134 120.392 120.500 0.042 0.000 2.568 279 R HA 0.062 4.392 4.340 -0.017 0.000 0.288 279 R C 0.742 177.055 176.300 0.023 0.000 1.077 279 R CA -0.282 55.828 56.100 0.017 0.000 1.102 279 R CB 0.013 30.298 30.300 -0.024 0.000 1.278 279 R HN 0.135 nan 8.270 nan 0.000 0.560 280 F N 2.035 121.951 119.950 -0.056 0.000 2.126 280 F HA -0.250 4.271 4.527 -0.011 0.000 0.299 280 F C 1.494 177.263 175.800 -0.052 0.000 1.096 280 F CA 1.828 59.792 58.000 -0.060 0.000 1.255 280 F CB 0.176 39.140 39.000 -0.059 0.000 0.997 280 F HN 0.044 nan 8.300 nan 0.000 0.479 281 D N 0.184 120.548 120.400 -0.059 0.000 2.144 281 D HA -0.219 4.411 4.640 -0.017 0.000 0.199 281 D C 2.170 178.353 176.300 -0.195 0.000 0.984 281 D CA 1.705 55.626 54.000 -0.130 0.000 0.834 281 D CB -0.530 40.267 40.800 -0.006 0.000 0.955 281 D HN 0.692 nan 8.370 nan 0.000 0.465 282 E N 0.624 120.736 120.200 -0.147 0.000 2.107 282 E HA -0.104 4.236 4.350 -0.017 0.000 0.191 282 E C 2.223 178.703 176.600 -0.200 0.000 0.982 282 E CA 0.558 56.880 56.400 -0.130 0.000 0.809 282 E CB -0.421 29.232 29.700 -0.078 0.000 0.756 282 E HN 0.236 nan 8.360 nan 0.000 0.459 283 I N 0.740 121.149 120.570 -0.269 0.000 2.179 283 I HA -0.228 3.932 4.170 -0.017 0.000 0.242 283 I C 2.551 178.454 176.117 -0.357 0.000 1.088 283 I CA 0.687 61.804 61.300 -0.305 0.000 1.357 283 I CB -0.273 37.554 38.000 -0.288 0.000 1.051 283 I HN 0.183 nan 8.210 nan 0.000 0.409 284 L N 0.957 121.849 121.223 -0.551 0.000 2.012 284 L HA -0.241 4.088 4.340 -0.017 0.000 0.210 284 L C 2.522 179.245 176.870 -0.246 0.000 1.073 284 L CA 1.958 56.505 54.840 -0.489 0.000 0.748 284 L CB -0.894 40.760 42.059 -0.674 0.000 0.891 284 L HN 0.243 nan 8.230 nan 0.000 0.431 285 E N -0.072 120.008 120.200 -0.200 0.000 2.085 285 E HA -0.222 4.118 4.350 -0.017 0.000 0.194 285 E C 1.929 178.489 176.600 -0.068 0.000 0.994 285 E CA 1.477 57.816 56.400 -0.100 0.000 0.801 285 E CB -0.095 29.563 29.700 -0.069 0.000 0.743 285 E HN 0.599 nan 8.360 nan 0.000 0.453 286 A N 0.368 123.130 122.820 -0.097 0.000 2.119 286 A HA 0.056 4.366 4.320 -0.017 0.000 0.216 286 A C 1.387 178.927 177.584 -0.073 0.000 1.152 286 A CA 0.343 52.338 52.037 -0.068 0.000 0.708 286 A CB 0.077 18.937 19.000 -0.234 0.000 0.805 286 A HN 0.149 nan 8.150 nan 0.000 0.460 287 S N 0.097 115.735 115.700 -0.103 0.000 2.672 287 S HA 0.272 4.732 4.470 -0.017 0.000 0.276 287 S C 0.115 174.690 174.600 -0.042 0.000 1.207 287 S CA -0.550 57.603 58.200 -0.078 0.000 1.002 287 S CB 1.037 64.170 63.200 -0.110 0.000 0.998 287 S HN 0.393 nan 8.310 nan 0.000 0.542 288 D N 0.533 120.922 120.400 -0.018 0.000 2.289 288 D HA 0.213 4.843 4.640 -0.017 0.000 0.207 288 D C 0.893 177.173 176.300 -0.034 0.000 0.966 288 D CA 0.660 54.660 54.000 0.000 0.000 0.868 288 D CB 0.279 41.095 40.800 0.027 0.000 0.943 288 D HN 0.648 nan 8.370 nan 0.000 0.514 289 G N -0.318 108.449 108.800 -0.054 0.000 2.428 289 G HA2 0.423 4.373 3.960 -0.017 0.000 0.304 289 G HA3 0.423 4.373 3.960 -0.017 0.000 0.304 289 G C -1.874 172.985 174.900 -0.069 0.000 1.303 289 G CA -0.602 44.449 45.100 -0.082 0.000 0.825 289 G HN -0.071 nan 8.290 nan 0.000 0.484 290 I N 0.607 121.137 120.570 -0.067 0.000 2.647 290 I HA 0.530 4.690 4.170 -0.017 0.000 0.295 290 I C -0.451 175.609 176.117 -0.095 0.000 1.078 290 I CA -0.669 60.614 61.300 -0.027 0.000 1.048 290 I CB 1.974 40.042 38.000 0.113 0.000 1.239 290 I HN 0.652 nan 8.210 nan 0.000 0.421 291 M N 5.808 125.340 119.600 -0.113 0.000 2.227 291 M HA 0.421 4.891 4.480 -0.017 0.000 0.335 291 M C -1.227 175.023 176.300 -0.083 0.000 1.053 291 M CA -0.719 54.481 55.300 -0.166 0.000 0.973 291 M CB 1.570 33.997 32.600 -0.288 0.000 1.623 291 M HN 0.266 nan 8.290 nan 0.000 0.434 292 V N 5.430 125.294 119.914 -0.084 0.000 2.341 292 V HA 0.162 4.272 4.120 -0.017 0.000 0.248 292 V C 0.733 176.791 176.094 -0.060 0.000 1.107 292 V CA -0.205 62.053 62.300 -0.071 0.000 1.069 292 V CB -0.283 31.491 31.823 -0.082 0.000 1.177 292 V HN 0.869 nan 8.190 nan 0.000 0.492 293 A N 5.783 128.578 122.820 -0.041 0.000 2.990 293 A HA 0.275 4.585 4.320 -0.017 0.000 0.282 293 A C 1.576 179.155 177.584 -0.009 0.000 1.688 293 A CA -0.311 51.715 52.037 -0.019 0.000 1.391 293 A CB -0.442 18.563 19.000 0.008 0.000 1.112 293 A HN 0.831 nan 8.150 nan 0.000 0.588 294 R N 1.108 121.599 120.500 -0.015 0.000 2.127 294 R HA -0.146 4.184 4.340 -0.017 0.000 0.238 294 R C 2.291 178.594 176.300 0.006 0.000 1.134 294 R CA 1.368 57.462 56.100 -0.010 0.000 0.975 294 R CB -0.151 30.145 30.300 -0.007 0.000 0.865 294 R HN 0.689 nan 8.270 nan 0.000 0.447 295 G N 1.565 110.375 108.800 0.016 0.000 2.511 295 G HA2 -0.291 3.659 3.960 -0.017 0.000 0.216 295 G HA3 -0.291 3.659 3.960 -0.017 0.000 0.216 295 G C 0.853 175.772 174.900 0.033 0.000 1.218 295 G CA 1.189 46.305 45.100 0.026 0.000 0.788 295 G HN 0.197 nan 8.290 nan 0.000 0.560 296 D N -0.088 120.337 120.400 0.041 0.000 2.144 296 D HA -0.045 4.585 4.640 -0.017 0.000 0.200 296 D C 2.420 178.751 176.300 0.052 0.000 0.978 296 D CA 0.264 54.298 54.000 0.057 0.000 0.833 296 D CB -0.323 40.525 40.800 0.079 0.000 0.961 296 D HN 0.159 nan 8.370 nan 0.000 0.470 297 L N 0.730 121.966 121.223 0.022 0.000 2.042 297 L HA -0.039 4.291 4.340 -0.017 0.000 0.210 297 L C 2.182 179.043 176.870 -0.015 0.000 1.076 297 L CA 1.797 56.628 54.840 -0.015 0.000 0.749 297 L CB -0.840 41.190 42.059 -0.048 0.000 0.893 297 L HN 0.095 nan 8.230 nan 0.000 0.432 298 G N -1.530 107.273 108.800 0.004 0.000 2.679 298 G HA2 -0.098 3.852 3.960 -0.017 0.000 0.212 298 G HA3 -0.098 3.852 3.960 -0.017 0.000 0.212 298 G C 1.479 176.407 174.900 0.046 0.000 1.137 298 G CA 0.608 45.717 45.100 0.016 0.000 0.787 298 G HN 0.463 nan 8.290 nan 0.000 0.534 299 I N -0.190 120.424 120.570 0.074 0.000 2.494 299 I HA 0.027 4.187 4.170 -0.017 0.000 0.250 299 I C 2.467 178.742 176.117 0.264 0.000 1.112 299 I CA 0.597 61.982 61.300 0.142 0.000 1.438 299 I CB 0.048 38.130 38.000 0.136 0.000 1.111 299 I HN 0.025 nan 8.210 nan 0.000 0.431 300 E N 1.323 121.619 120.200 0.161 0.000 2.112 300 E HA 0.047 4.387 4.350 -0.017 0.000 0.190 300 E C 0.912 177.577 176.600 0.108 0.000 0.979 300 E CA 0.690 57.175 56.400 0.141 0.000 0.814 300 E CB 0.248 29.997 29.700 0.082 0.000 0.762 300 E HN 0.503 nan 8.360 nan 0.000 0.460 301 I N -1.115 119.437 120.570 -0.029 0.000 2.750 301 I HA 0.448 4.607 4.170 -0.017 0.000 0.308 301 I C -2.679 173.462 176.117 0.040 0.000 1.016 301 I CA -2.906 58.337 61.300 -0.095 0.000 1.098 301 I CB 1.857 39.610 38.000 -0.412 0.000 1.279 301 I HN -0.340 nan 8.210 nan 0.000 0.454 302 P HA -0.006 nan 4.420 nan 0.000 0.261 302 P C 0.422 177.741 177.300 0.031 0.000 1.173 302 P CA 0.320 63.460 63.100 0.068 0.000 0.760 302 P CB 0.882 32.623 31.700 0.069 0.000 0.783 303 A N 5.084 127.926 122.820 0.037 0.000 1.940 303 A HA -0.220 4.090 4.320 -0.017 0.000 0.219 303 A C 1.812 179.434 177.584 0.062 0.000 1.176 303 A CA 1.633 53.691 52.037 0.035 0.000 0.631 303 A CB -0.869 18.148 19.000 0.028 0.000 0.814 303 A HN 0.663 nan 8.150 nan 0.000 0.446 304 E N 0.393 120.638 120.200 0.076 0.000 2.472 304 E HA -0.153 4.187 4.350 -0.017 0.000 0.200 304 E C 1.114 177.808 176.600 0.157 0.000 1.046 304 E CA 1.230 57.714 56.400 0.140 0.000 0.871 304 E CB -0.239 29.532 29.700 0.118 0.000 0.806 304 E HN 0.659 nan 8.360 nan 0.000 0.533 305 K N 0.472 120.877 120.400 0.008 0.000 2.358 305 K HA 0.154 4.464 4.320 -0.017 0.000 0.197 305 K C 1.825 178.265 176.600 -0.267 0.000 1.025 305 K CA 0.112 56.293 56.287 -0.177 0.000 1.104 305 K CB 0.703 33.124 32.500 -0.132 0.000 0.855 305 K HN -0.077 nan 8.250 nan 0.000 0.531 306 V N 1.768 121.621 119.914 -0.103 0.000 2.407 306 V HA -0.264 3.846 4.120 -0.017 0.000 0.248 306 V C 2.011 178.031 176.094 -0.123 0.000 1.055 306 V CA 1.865 64.108 62.300 -0.095 0.000 1.049 306 V CB -0.636 31.178 31.823 -0.014 0.000 0.662 306 V HN 0.368 nan 8.190 nan 0.000 0.455 307 F N -0.144 119.776 119.950 -0.050 0.000 2.269 307 F HA -0.075 4.449 4.527 -0.005 0.000 0.301 307 F C 1.883 177.644 175.800 -0.064 0.000 1.082 307 F CA 1.311 59.280 58.000 -0.052 0.000 1.360 307 F CB -1.001 37.976 39.000 -0.038 0.000 1.041 307 F HN 0.073 nan 8.300 nan 0.000 0.512 308 L N 0.834 121.428 121.223 -1.049 0.000 2.027 308 L HA -0.097 4.233 4.340 -0.017 0.000 0.206 308 L C 3.007 179.664 176.870 -0.355 0.000 1.074 308 L CA 1.224 55.644 54.840 -0.701 0.000 0.745 308 L CB -1.159 40.489 42.059 -0.685 0.000 0.898 308 L HN 0.341 nan 8.230 nan 0.000 0.433 309 A N -0.548 122.078 122.820 -0.323 0.000 1.898 309 A HA -0.260 4.050 4.320 -0.017 0.000 0.216 309 A C 2.265 179.704 177.584 -0.241 0.000 1.181 309 A CA 1.670 53.549 52.037 -0.264 0.000 0.620 309 A CB -0.589 18.272 19.000 -0.232 0.000 0.819 309 A HN 0.482 nan 8.150 nan 0.000 0.442 310 Q N -0.048 119.647 119.800 -0.176 0.000 2.061 310 Q HA -0.247 4.083 4.340 -0.017 0.000 0.204 310 Q C 1.940 177.867 176.000 -0.123 0.000 0.984 310 Q CA 2.179 57.907 55.803 -0.125 0.000 0.846 310 Q CB -0.160 28.550 28.738 -0.047 0.000 0.902 310 Q HN 0.669 nan 8.270 nan 0.000 0.421 311 K N -0.182 120.160 120.400 -0.097 0.000 2.097 311 K HA -0.106 4.204 4.320 -0.017 0.000 0.205 311 K C 2.181 178.709 176.600 -0.119 0.000 1.050 311 K CA 1.174 57.418 56.287 -0.070 0.000 0.938 311 K CB -0.180 32.316 32.500 -0.007 0.000 0.718 311 K HN 0.330 nan 8.250 nan 0.000 0.442 312 M N 0.842 120.336 119.600 -0.176 0.000 2.086 312 M HA -0.149 4.321 4.480 -0.017 0.000 0.261 312 M C 1.926 178.048 176.300 -0.297 0.000 1.067 312 M CA 1.811 56.985 55.300 -0.211 0.000 1.116 312 M CB -0.243 32.209 32.600 -0.246 0.000 1.348 312 M HN 0.181 nan 8.290 nan 0.000 0.407 313 M N -0.204 119.135 119.600 -0.435 0.000 2.132 313 M HA -0.191 4.279 4.480 -0.017 0.000 0.263 313 M C 2.157 178.322 176.300 -0.225 0.000 1.065 313 M CA 1.480 56.415 55.300 -0.608 0.000 1.122 313 M CB -0.549 31.652 32.600 -0.664 0.000 1.365 313 M HN 0.255 nan 8.290 nan 0.000 0.411 314 I N 0.033 120.515 120.570 -0.148 0.000 2.163 314 I HA -0.212 3.948 4.170 -0.017 0.000 0.243 314 I C 2.636 178.728 176.117 -0.041 0.000 1.085 314 I CA 1.538 62.797 61.300 -0.068 0.000 1.347 314 I CB -0.966 37.002 38.000 -0.055 0.000 1.044 314 I HN 0.363 nan 8.210 nan 0.000 0.408 315 G N 0.551 109.318 108.800 -0.055 0.000 2.421 315 G HA2 -0.217 3.733 3.960 -0.017 0.000 0.216 315 G HA3 -0.217 3.733 3.960 -0.017 0.000 0.216 315 G C 1.819 176.718 174.900 -0.001 0.000 1.171 315 G CA 0.451 45.532 45.100 -0.031 0.000 0.775 315 G HN 0.283 nan 8.290 nan 0.000 0.543 316 R N -0.606 119.901 120.500 0.011 0.000 2.092 316 R HA -0.039 4.291 4.340 -0.017 0.000 0.231 316 R C 2.679 179.060 176.300 0.135 0.000 1.119 316 R CA 1.226 57.389 56.100 0.105 0.000 0.970 316 R CB -0.634 29.805 30.300 0.230 0.000 0.864 316 R HN 0.390 nan 8.270 nan 0.000 0.440 317 C N 0.556 119.939 119.300 0.138 0.000 2.446 317 C HA -0.043 4.407 4.460 -0.017 0.000 0.277 317 C C 2.194 177.206 174.990 0.037 0.000 1.275 317 C CA 0.659 59.735 59.018 0.096 0.000 1.727 317 C CB -1.213 26.575 27.740 0.080 0.000 2.010 317 C HN 0.569 nan 8.230 nan 0.000 0.486 318 N N 0.265 118.978 118.700 0.022 0.000 2.120 318 N HA -0.189 4.541 4.740 -0.017 0.000 0.188 318 N C 2.042 177.549 175.510 -0.005 0.000 1.024 318 N CA 0.943 53.997 53.050 0.006 0.000 0.852 318 N CB -0.274 38.216 38.487 0.005 0.000 1.003 318 N HN 0.537 nan 8.380 nan 0.000 0.424 319 R N 1.240 121.744 120.500 0.006 0.000 2.081 319 R HA -0.060 4.270 4.340 -0.017 0.000 0.235 319 R C 1.904 178.203 176.300 -0.001 0.000 1.131 319 R CA 1.467 57.568 56.100 0.002 0.000 0.960 319 R CB -0.136 30.173 30.300 0.015 0.000 0.856 319 R HN 0.144 nan 8.270 nan 0.000 0.436 320 A N -0.254 122.574 122.820 0.013 0.000 2.167 320 A HA 0.177 4.487 4.320 -0.017 0.000 0.214 320 A C 1.457 179.044 177.584 0.005 0.000 1.151 320 A CA 0.816 52.859 52.037 0.010 0.000 0.735 320 A CB -0.280 18.727 19.000 0.012 0.000 0.802 320 A HN 0.631 nan 8.150 nan 0.000 0.467 321 G N -0.733 108.065 108.800 -0.002 0.000 2.160 321 G HA2 -0.262 3.688 3.960 -0.017 0.000 0.251 321 G HA3 -0.262 3.688 3.960 -0.017 0.000 0.251 321 G C 0.066 175.011 174.900 0.075 0.000 1.008 321 G CA 0.692 45.802 45.100 0.017 0.000 0.724 321 G HN 0.585 nan 8.290 nan 0.000 0.514 322 K N 0.505 120.925 120.400 0.033 0.000 2.164 322 K HA 0.503 4.813 4.320 -0.017 0.000 0.258 322 K C -2.527 174.020 176.600 -0.089 0.000 0.951 322 K CA -2.237 54.050 56.287 -0.001 0.000 0.844 322 K CB 1.920 34.410 32.500 -0.016 0.000 1.099 322 K HN -0.054 nan 8.250 nan 0.000 0.435 323 P HA -0.017 nan 4.420 nan 0.000 0.268 323 P C -1.086 176.106 177.300 -0.181 0.000 1.204 323 P CA -0.310 62.584 63.100 -0.342 0.000 0.768 323 P CB 0.723 32.049 31.700 -0.622 0.000 0.842 324 V N 5.182 125.017 119.914 -0.133 0.000 2.656 324 V HA 0.515 4.625 4.120 -0.017 0.000 0.307 324 V C -0.802 175.227 176.094 -0.109 0.000 1.051 324 V CA -0.918 61.327 62.300 -0.091 0.000 0.893 324 V CB 1.304 33.103 31.823 -0.039 0.000 0.999 324 V HN 0.300 nan 8.190 nan 0.000 0.426 325 I N 6.316 126.806 120.570 -0.134 0.000 2.404 325 I HA 0.425 4.585 4.170 -0.017 0.000 0.293 325 I C -0.157 175.892 176.117 -0.113 0.000 0.992 325 I CA -0.352 60.861 61.300 -0.145 0.000 1.149 325 I CB 1.575 39.420 38.000 -0.258 0.000 1.315 325 I HN 0.632 nan 8.210 nan 0.000 0.446 326 C N 6.505 125.759 119.300 -0.077 0.000 2.307 326 C HA 0.861 5.311 4.460 -0.017 0.000 0.340 326 C C 0.397 175.357 174.990 -0.051 0.000 1.275 326 C CA -0.107 58.877 59.018 -0.057 0.000 1.811 326 C CB -0.455 27.266 27.740 -0.032 0.000 2.372 326 C HN 0.866 nan 8.230 nan 0.000 0.531 327 A N 4.388 127.180 122.820 -0.047 0.000 2.454 327 A HA 0.919 5.229 4.320 -0.017 0.000 0.302 327 A C -0.236 177.343 177.584 -0.009 0.000 1.079 327 A CA -0.189 51.830 52.037 -0.031 0.000 0.731 327 A CB 1.153 20.122 19.000 -0.052 0.000 1.299 327 A HN 1.335 nan 8.150 nan 0.000 0.413 328 T N 1.338 115.897 114.554 0.009 0.000 0.679 328 T HA -0.066 4.274 4.350 -0.017 0.000 0.761 328 T C -0.026 174.687 174.700 0.020 0.000 0.989 328 T CA 0.567 62.679 62.100 0.020 0.000 4.013 328 T CB -1.395 67.484 68.868 0.018 0.000 2.270 328 T HN 1.505 nan 8.240 nan 0.000 0.397 329 Q N 0.406 120.222 119.800 0.027 0.000 2.494 329 Q HA -0.264 4.066 4.340 -0.017 0.000 0.266 329 Q C 1.559 177.572 176.000 0.022 0.000 1.053 329 Q CA 1.403 57.221 55.803 0.025 0.000 1.029 329 Q CB -1.059 27.693 28.738 0.022 0.000 1.423 329 Q HN 0.830 nan 8.270 nan 0.000 0.516 330 M N -0.572 119.041 119.600 0.022 0.000 2.159 330 M HA -0.128 4.342 4.480 -0.017 0.000 0.263 330 M C 1.139 177.450 176.300 0.020 0.000 1.063 330 M CA 1.541 56.852 55.300 0.019 0.000 1.110 330 M CB 0.113 32.724 32.600 0.018 0.000 1.374 330 M HN 0.282 nan 8.290 nan 0.000 0.411 331 L N -0.583 120.655 121.223 0.025 0.000 3.186 331 L HA 0.154 4.484 4.340 -0.017 0.000 0.292 331 L C 1.149 178.037 176.870 0.031 0.000 1.303 331 L CA -0.354 54.502 54.840 0.026 0.000 0.940 331 L CB 0.317 42.394 42.059 0.031 0.000 1.358 331 L HN 0.066 nan 8.230 nan 0.000 0.581 332 E N 1.158 121.375 120.200 0.028 0.000 2.085 332 E HA -0.227 4.113 4.350 -0.017 0.000 0.194 332 E C 2.162 178.784 176.600 0.036 0.000 0.994 332 E CA 1.998 58.418 56.400 0.033 0.000 0.801 332 E CB 0.216 29.932 29.700 0.027 0.000 0.743 332 E HN 0.502 nan 8.360 nan 0.000 0.453 333 S N -0.252 115.464 115.700 0.028 0.000 2.440 333 S HA -0.187 4.273 4.470 -0.017 0.000 0.238 333 S C 1.895 176.521 174.600 0.043 0.000 1.010 333 S CA 1.289 59.506 58.200 0.028 0.000 0.972 333 S CB -0.428 62.780 63.200 0.013 0.000 0.774 333 S HN 0.326 nan 8.310 nan 0.000 0.501 334 M N 0.603 120.231 119.600 0.047 0.000 2.632 334 M HA 0.135 4.605 4.480 -0.017 0.000 0.256 334 M C 1.623 178.015 176.300 0.154 0.000 1.080 334 M CA 0.676 56.022 55.300 0.078 0.000 1.084 334 M CB -0.681 31.956 32.600 0.060 0.000 1.439 334 M HN 0.345 nan 8.290 nan 0.000 0.509 335 I N 0.644 121.281 120.570 0.111 0.000 2.208 335 I HA -0.325 3.834 4.170 -0.017 0.000 0.245 335 I C 2.046 178.248 176.117 0.140 0.000 1.097 335 I CA 1.631 62.994 61.300 0.105 0.000 1.363 335 I CB -0.163 37.875 38.000 0.064 0.000 1.051 335 I HN 0.314 nan 8.210 nan 0.000 0.413 336 K N -0.231 120.258 120.400 0.148 0.000 2.348 336 K HA 0.176 4.486 4.320 -0.017 0.000 0.194 336 K C 0.225 176.988 176.600 0.272 0.000 1.052 336 K CA 0.300 56.687 56.287 0.166 0.000 1.004 336 K CB 0.461 33.016 32.500 0.092 0.000 0.873 336 K HN 0.125 nan 8.250 nan 0.000 0.523 337 K N 0.818 121.327 120.400 0.181 0.000 2.318 337 K HA 0.198 4.508 4.320 -0.017 0.000 0.249 337 K C -2.300 174.052 176.600 -0.414 0.000 0.942 337 K CA -2.086 54.177 56.287 -0.039 0.000 0.808 337 K CB 2.080 34.555 32.500 -0.042 0.000 1.189 337 K HN -0.264 nan 8.250 nan 0.000 0.428 338 P HA -0.026 nan 4.420 nan 0.000 0.241 338 P C -0.417 176.657 177.300 -0.376 0.000 1.191 338 P CA 0.630 63.141 63.100 -0.982 0.000 0.771 338 P CB 0.569 31.745 31.700 -0.872 0.000 0.929 339 R N 0.432 120.794 120.500 -0.230 0.000 2.750 339 R HA 0.509 4.839 4.340 -0.017 0.000 0.281 339 R C -2.580 173.674 176.300 -0.077 0.000 0.972 339 R CA -2.457 53.572 56.100 -0.118 0.000 0.912 339 R CB 1.103 31.349 30.300 -0.090 0.000 1.187 339 R HN 0.033 nan 8.270 nan 0.000 0.464 340 P HA 0.139 nan 4.420 nan 0.000 0.278 340 P C -0.176 177.112 177.300 -0.020 0.000 1.266 340 P CA -0.293 62.794 63.100 -0.022 0.000 0.807 340 P CB 0.565 32.260 31.700 -0.010 0.000 1.094 341 T N -0.950 113.597 114.554 -0.012 0.000 2.766 341 T HA 0.168 4.508 4.350 -0.017 0.000 0.295 341 T C 1.495 176.188 174.700 -0.011 0.000 1.024 341 T CA -0.551 61.542 62.100 -0.012 0.000 1.018 341 T CB 0.352 69.216 68.868 -0.007 0.000 1.002 341 T HN 0.194 nan 8.240 nan 0.000 0.532 342 R N 0.974 121.466 120.500 -0.013 0.000 2.115 342 R HA 0.039 4.369 4.340 -0.017 0.000 0.230 342 R C 2.645 178.938 176.300 -0.012 0.000 1.111 342 R CA 1.462 57.554 56.100 -0.013 0.000 0.976 342 R CB -1.844 28.447 30.300 -0.015 0.000 0.870 342 R HN 0.852 nan 8.270 nan 0.000 0.445 343 A N 1.243 124.056 122.820 -0.012 0.000 1.969 343 A HA -0.143 4.167 4.320 -0.017 0.000 0.218 343 A C 2.008 179.588 177.584 -0.007 0.000 1.169 343 A CA 1.262 53.292 52.037 -0.012 0.000 0.635 343 A CB -0.231 18.762 19.000 -0.012 0.000 0.810 343 A HN 0.355 nan 8.150 nan 0.000 0.445 344 E N -0.563 119.634 120.200 -0.004 0.000 2.072 344 E HA -0.054 4.286 4.350 -0.017 0.000 0.190 344 E C 2.167 178.768 176.600 0.001 0.000 0.982 344 E CA 0.695 57.096 56.400 0.001 0.000 0.803 344 E CB -0.375 29.327 29.700 0.004 0.000 0.755 344 E HN 0.581 nan 8.360 nan 0.000 0.453 345 G N 0.700 109.499 108.800 -0.002 0.000 2.446 345 G HA2 -0.347 3.603 3.960 -0.017 0.000 0.217 345 G HA3 -0.347 3.603 3.960 -0.017 0.000 0.217 345 G C 1.666 176.564 174.900 -0.002 0.000 1.168 345 G CA 1.121 46.220 45.100 -0.003 0.000 0.771 345 G HN 0.304 nan 8.290 nan 0.000 0.551 346 S N 0.256 115.953 115.700 -0.005 0.000 2.368 346 S HA -0.153 4.307 4.470 -0.017 0.000 0.224 346 S C 2.078 176.677 174.600 -0.002 0.000 1.029 346 S CA 1.911 60.107 58.200 -0.006 0.000 0.988 346 S CB -0.448 62.745 63.200 -0.013 0.000 0.838 346 S HN 0.398 nan 8.310 nan 0.000 0.462 347 D N 0.357 120.756 120.400 -0.002 0.000 2.104 347 D HA -0.093 4.537 4.640 -0.017 0.000 0.194 347 D C 1.895 178.199 176.300 0.007 0.000 0.994 347 D CA 1.519 55.520 54.000 0.003 0.000 0.830 347 D CB -0.315 40.488 40.800 0.005 0.000 0.959 347 D HN 0.304 nan 8.370 nan 0.000 0.452 348 V N 0.679 120.597 119.914 0.008 0.000 2.295 348 V HA -0.205 3.905 4.120 -0.017 0.000 0.246 348 V C 2.568 178.668 176.094 0.011 0.000 1.049 348 V CA 1.805 64.111 62.300 0.010 0.000 1.024 348 V CB -0.972 30.858 31.823 0.012 0.000 0.648 348 V HN 0.336 nan 8.190 nan 0.000 0.447 349 A N 0.214 123.040 122.820 0.009 0.000 1.902 349 A HA -0.226 4.084 4.320 -0.017 0.000 0.217 349 A C 2.094 179.690 177.584 0.019 0.000 1.181 349 A CA 2.007 54.052 52.037 0.013 0.000 0.623 349 A CB -0.640 18.366 19.000 0.011 0.000 0.818 349 A HN 0.580 nan 8.150 nan 0.000 0.443 350 N N 0.140 118.849 118.700 0.016 0.000 2.270 350 N HA -0.048 4.682 4.740 -0.017 0.000 0.181 350 N C 1.895 177.414 175.510 0.016 0.000 1.016 350 N CA 1.211 54.272 53.050 0.018 0.000 0.870 350 N CB -0.381 38.112 38.487 0.010 0.000 0.979 350 N HN 0.469 nan 8.380 nan 0.000 0.431 351 A N 0.831 123.658 122.820 0.012 0.000 1.902 351 A HA -0.097 4.213 4.320 -0.017 0.000 0.217 351 A C 2.509 180.099 177.584 0.009 0.000 1.181 351 A CA 1.298 53.339 52.037 0.007 0.000 0.623 351 A CB -0.753 18.249 19.000 0.003 0.000 0.818 351 A HN 0.092 nan 8.150 nan 0.000 0.443 352 V N 0.109 120.033 119.914 0.016 0.000 2.295 352 V HA -0.250 3.860 4.120 -0.017 0.000 0.246 352 V C 2.562 178.671 176.094 0.025 0.000 1.049 352 V CA 1.974 64.287 62.300 0.022 0.000 1.024 352 V CB -0.786 31.052 31.823 0.025 0.000 0.648 352 V HN 0.573 nan 8.190 nan 0.000 0.447 353 L N -0.240 121.002 121.223 0.031 0.000 2.131 353 L HA -0.186 4.144 4.340 -0.017 0.000 0.210 353 L C 2.322 179.204 176.870 0.020 0.000 1.092 353 L CA 1.376 56.239 54.840 0.039 0.000 0.759 353 L CB -0.775 41.324 42.059 0.065 0.000 0.903 353 L HN 0.330 nan 8.230 nan 0.000 0.435 354 D N 0.144 120.551 120.400 0.011 0.000 2.149 354 D HA -0.116 4.514 4.640 -0.017 0.000 0.198 354 D C 1.708 178.005 176.300 -0.005 0.000 0.990 354 D CA 1.704 55.702 54.000 -0.002 0.000 0.839 354 D CB 0.003 40.801 40.800 -0.003 0.000 0.948 354 D HN 0.448 nan 8.370 nan 0.000 0.460 355 G N -1.100 107.702 108.800 0.003 0.000 2.234 355 G HA2 -0.028 3.922 3.960 -0.017 0.000 0.153 355 G HA3 -0.028 3.922 3.960 -0.017 0.000 0.153 355 G C 0.326 175.228 174.900 0.004 0.000 1.013 355 G CA 0.116 45.221 45.100 0.008 0.000 0.712 355 G HN 0.537 nan 8.290 nan 0.000 0.491 356 A N 0.526 123.344 122.820 -0.003 0.000 2.546 356 A HA 0.476 4.785 4.320 -0.017 0.000 0.243 356 A C 1.195 178.774 177.584 -0.007 0.000 1.063 356 A CA 0.996 53.024 52.037 -0.015 0.000 0.757 356 A CB 0.224 19.213 19.000 -0.019 0.000 0.991 356 A HN 0.276 nan 8.150 nan 0.000 0.503 357 D N 0.645 121.028 120.400 -0.028 0.000 2.162 357 D HA 0.003 4.633 4.640 -0.017 0.000 0.203 357 D C 0.103 176.398 176.300 -0.008 0.000 0.967 357 D CA 1.219 55.207 54.000 -0.021 0.000 0.840 357 D CB 0.170 40.917 40.800 -0.088 0.000 0.972 357 D HN 0.546 nan 8.370 nan 0.000 0.482 358 C N 0.547 119.830 119.300 -0.029 0.000 2.898 358 C HA 0.625 5.075 4.460 -0.017 0.000 0.304 358 C C -0.297 174.681 174.990 -0.021 0.000 1.237 358 C CA -1.008 58.001 59.018 -0.015 0.000 1.529 358 C CB 2.005 29.729 27.740 -0.027 0.000 2.021 358 C HN 0.170 nan 8.230 nan 0.000 0.474 359 I N 0.180 120.748 120.570 -0.003 0.000 2.785 359 I HA 0.818 4.978 4.170 -0.017 0.000 0.302 359 I C -0.894 175.227 176.117 0.007 0.000 1.069 359 I CA -0.803 60.496 61.300 -0.002 0.000 1.045 359 I CB 1.816 39.823 38.000 0.011 0.000 1.236 359 I HN 0.702 nan 8.210 nan 0.000 0.429 360 M N 4.887 124.492 119.600 0.007 0.000 2.591 360 M HA 0.664 5.134 4.480 -0.017 0.000 0.306 360 M C -2.083 174.238 176.300 0.035 0.000 1.190 360 M CA -0.695 54.620 55.300 0.024 0.000 0.889 360 M CB 2.738 35.343 32.600 0.009 0.000 1.728 360 M HN 0.650 nan 8.290 nan 0.000 0.458 361 L N 1.782 123.036 121.223 0.052 0.000 2.385 361 L HA 0.545 4.875 4.340 -0.017 0.000 0.273 361 L C -0.360 176.553 176.870 0.071 0.000 0.990 361 L CA -0.313 54.561 54.840 0.056 0.000 0.821 361 L CB 2.220 44.312 42.059 0.055 0.000 1.279 361 L HN 0.790 nan 8.230 nan 0.000 0.412 362 S N 0.988 116.729 115.700 0.068 0.000 3.200 362 S HA 0.186 4.646 4.470 -0.017 0.000 0.173 362 S C 1.618 176.263 174.600 0.074 0.000 0.768 362 S CA 0.372 58.620 58.200 0.080 0.000 1.018 362 S CB -0.271 62.975 63.200 0.077 0.000 0.769 362 S HN 0.867 nan 8.310 nan 0.000 0.736 363 G N 1.345 110.184 108.800 0.066 0.000 2.475 363 G HA2 -0.251 3.699 3.960 -0.017 0.000 0.220 363 G HA3 -0.251 3.699 3.960 -0.017 0.000 0.220 363 G C 1.025 175.959 174.900 0.056 0.000 1.125 363 G CA 1.434 46.568 45.100 0.057 0.000 0.755 363 G HN 0.560 nan 8.290 nan 0.000 0.565 364 E N -0.051 120.184 120.200 0.059 0.000 2.130 364 E HA -0.117 4.223 4.350 -0.017 0.000 0.196 364 E C 2.740 179.379 176.600 0.066 0.000 0.998 364 E CA 1.894 58.334 56.400 0.066 0.000 0.806 364 E CB -0.254 29.485 29.700 0.065 0.000 0.738 364 E HN 0.644 nan 8.360 nan 0.000 0.459 365 T N -3.232 111.360 114.554 0.062 0.000 3.000 365 T HA 0.398 4.738 4.350 -0.017 0.000 0.248 365 T C 1.919 176.653 174.700 0.057 0.000 1.034 365 T CA 0.212 62.346 62.100 0.058 0.000 1.060 365 T CB 0.196 69.099 68.868 0.058 0.000 0.983 365 T HN 0.137 nan 8.240 nan 0.000 0.482 366 A N 2.380 125.239 122.820 0.064 0.000 1.897 366 A HA 0.188 4.498 4.320 -0.017 0.000 0.215 366 A C 2.173 179.789 177.584 0.052 0.000 1.181 366 A CA 1.065 53.144 52.037 0.071 0.000 0.620 366 A CB -0.189 18.862 19.000 0.086 0.000 0.821 366 A HN 0.508 nan 8.150 nan 0.000 0.443 367 K N -1.642 118.781 120.400 0.039 0.000 2.502 367 K HA 0.205 4.515 4.320 -0.017 0.000 0.211 367 K C 0.943 177.546 176.600 0.005 0.000 1.259 367 K CA 0.299 56.597 56.287 0.019 0.000 0.983 367 K CB 0.837 33.346 32.500 0.015 0.000 1.054 367 K HN 0.351 nan 8.250 nan 0.000 0.572 368 G N 0.871 109.680 108.800 0.016 0.000 2.616 368 G HA2 -0.005 3.945 3.960 -0.017 0.000 0.268 368 G HA3 -0.005 3.945 3.960 -0.017 0.000 0.268 368 G C -0.089 174.779 174.900 -0.052 0.000 1.213 368 G CA -0.282 44.825 45.100 0.011 0.000 0.926 368 G HN -0.063 nan 8.290 nan 0.000 0.523 369 D N -1.186 119.141 120.400 -0.122 0.000 2.347 369 D HA 0.023 4.652 4.640 -0.017 0.000 0.213 369 D C -0.037 175.858 176.300 -0.675 0.000 0.985 369 D CA 1.034 54.787 54.000 -0.412 0.000 0.879 369 D CB 0.172 40.640 40.800 -0.554 0.000 0.919 369 D HN 0.360 nan 8.370 nan 0.000 0.526 370 Y N -0.450 119.860 120.300 0.017 0.000 2.517 370 Y HA 0.221 4.761 4.550 -0.017 0.000 0.330 370 Y C -1.645 174.267 175.900 0.020 0.000 0.917 370 Y CA -1.792 56.318 58.100 0.017 0.000 1.131 370 Y CB 1.136 39.606 38.460 0.016 0.000 1.175 370 Y HN -0.078 nan 8.280 nan 0.000 0.620 371 P HA -0.185 nan 4.420 nan 0.000 0.215 371 P C 1.481 178.828 177.300 0.079 0.000 1.157 371 P CA 1.522 64.667 63.100 0.075 0.000 0.868 371 P CB 0.620 32.345 31.700 0.042 0.000 0.788 372 L N -0.630 120.639 121.223 0.077 0.000 2.056 372 L HA -0.156 4.174 4.340 -0.017 0.000 0.207 372 L C 2.593 179.507 176.870 0.073 0.000 1.078 372 L CA 1.634 56.512 54.840 0.064 0.000 0.749 372 L CB -1.078 41.015 42.059 0.058 0.000 0.901 372 L HN -0.061 nan 8.230 nan 0.000 0.433 373 E N 0.452 120.716 120.200 0.107 0.000 2.110 373 E HA -0.165 4.175 4.350 -0.017 0.000 0.193 373 E C 2.272 178.913 176.600 0.069 0.000 0.988 373 E CA 1.281 57.733 56.400 0.086 0.000 0.804 373 E CB -0.319 29.436 29.700 0.091 0.000 0.745 373 E HN 0.437 nan 8.360 nan 0.000 0.458 374 A N 0.478 123.349 122.820 0.086 0.000 1.902 374 A HA -0.164 4.146 4.320 -0.017 0.000 0.217 374 A C 2.460 180.080 177.584 0.060 0.000 1.181 374 A CA 1.493 53.571 52.037 0.069 0.000 0.623 374 A CB -0.739 18.308 19.000 0.078 0.000 0.818 374 A HN 0.155 nan 8.150 nan 0.000 0.443 375 V N -0.105 119.843 119.914 0.057 0.000 2.307 375 V HA -0.265 3.845 4.120 -0.017 0.000 0.245 375 V C 2.615 178.747 176.094 0.064 0.000 1.045 375 V CA 2.262 64.591 62.300 0.048 0.000 1.024 375 V CB -0.859 30.980 31.823 0.027 0.000 0.651 375 V HN 0.526 nan 8.190 nan 0.000 0.449 376 R N -0.697 119.838 120.500 0.059 0.000 2.105 376 R HA -0.199 4.131 4.340 -0.017 0.000 0.239 376 R C 2.236 178.607 176.300 0.119 0.000 1.135 376 R CA 1.953 58.103 56.100 0.083 0.000 0.967 376 R CB -0.450 29.886 30.300 0.058 0.000 0.861 376 R HN 0.406 nan 8.270 nan 0.000 0.442 377 M N 0.873 120.520 119.600 0.077 0.000 2.200 377 M HA -0.125 4.345 4.480 -0.017 0.000 0.265 377 M C 1.860 178.195 176.300 0.059 0.000 1.066 377 M CA 1.703 57.038 55.300 0.058 0.000 1.127 377 M CB -0.030 32.590 32.600 0.033 0.000 1.379 377 M HN 0.039 nan 8.290 nan 0.000 0.420 378 Q N -1.320 118.521 119.800 0.068 0.000 2.096 378 Q HA -0.265 4.065 4.340 -0.017 0.000 0.204 378 Q C 2.114 178.163 176.000 0.082 0.000 0.982 378 Q CA 2.055 57.895 55.803 0.063 0.000 0.850 378 Q CB -0.543 28.230 28.738 0.059 0.000 0.901 378 Q HN 0.750 nan 8.270 nan 0.000 0.422 379 H N 0.632 119.713 119.070 0.019 0.000 2.319 379 H HA -0.107 4.439 4.556 -0.016 0.000 0.299 379 H C 1.864 177.207 175.328 0.025 0.000 1.092 379 H CA 1.699 57.761 56.048 0.024 0.000 1.302 379 H CB -0.192 29.584 29.762 0.023 0.000 1.373 379 H HN 0.107 nan 8.280 nan 0.000 0.497 380 L N -0.373 120.823 121.223 -0.045 0.000 2.027 380 L HA -0.118 4.212 4.340 -0.017 0.000 0.206 380 L C 2.596 179.412 176.870 -0.091 0.000 1.074 380 L CA 1.361 56.138 54.840 -0.105 0.000 0.745 380 L CB -0.371 41.693 42.059 0.008 0.000 0.898 380 L HN 0.327 nan 8.230 nan 0.000 0.433 381 I N -0.051 120.497 120.570 -0.037 0.000 2.202 381 I HA -0.261 3.899 4.170 -0.017 0.000 0.242 381 I C 2.841 178.939 176.117 -0.033 0.000 1.091 381 I CA 1.138 62.423 61.300 -0.024 0.000 1.368 381 I CB -0.524 37.474 38.000 -0.003 0.000 1.058 381 I HN 0.187 nan 8.210 nan 0.000 0.410 382 A N 0.873 123.671 122.820 -0.037 0.000 1.883 382 A HA -0.269 4.041 4.320 -0.017 0.000 0.217 382 A C 2.447 180.004 177.584 -0.045 0.000 1.186 382 A CA 2.013 54.036 52.037 -0.024 0.000 0.624 382 A CB -0.712 18.286 19.000 -0.003 0.000 0.822 382 A HN 0.361 nan 8.150 nan 0.000 0.444 383 R N -0.436 119.992 120.500 -0.120 0.000 2.081 383 R HA -0.154 4.176 4.340 -0.017 0.000 0.235 383 R C 2.001 178.267 176.300 -0.057 0.000 1.131 383 R CA 1.657 57.685 56.100 -0.120 0.000 0.960 383 R CB -0.225 29.928 30.300 -0.246 0.000 0.856 383 R HN 0.532 nan 8.270 nan 0.000 0.436 384 E N 0.207 120.376 120.200 -0.052 0.000 2.077 384 E HA -0.189 4.151 4.350 -0.017 0.000 0.193 384 E C 1.890 178.496 176.600 0.009 0.000 0.989 384 E CA 1.352 57.742 56.400 -0.018 0.000 0.800 384 E CB -0.217 29.472 29.700 -0.019 0.000 0.746 384 E HN 0.494 nan 8.360 nan 0.000 0.452 385 A N 1.411 124.237 122.820 0.010 0.000 1.898 385 A HA -0.191 4.119 4.320 -0.017 0.000 0.216 385 A C 2.021 179.636 177.584 0.052 0.000 1.181 385 A CA 1.417 53.473 52.037 0.031 0.000 0.620 385 A CB -0.438 18.578 19.000 0.026 0.000 0.819 385 A HN 0.186 nan 8.150 nan 0.000 0.442 386 E N -0.116 120.113 120.200 0.049 0.000 2.118 386 E HA -0.122 4.217 4.350 -0.017 0.000 0.195 386 E C 2.154 178.837 176.600 0.137 0.000 0.992 386 E CA 1.032 57.481 56.400 0.083 0.000 0.804 386 E CB -0.271 29.471 29.700 0.069 0.000 0.741 386 E HN 0.631 nan 8.360 nan 0.000 0.458 387 A N 0.988 123.873 122.820 0.110 0.000 2.014 387 A HA 0.041 4.351 4.320 -0.017 0.000 0.218 387 A C 2.232 179.921 177.584 0.174 0.000 1.163 387 A CA 1.282 53.404 52.037 0.142 0.000 0.652 387 A CB -0.248 18.800 19.000 0.080 0.000 0.808 387 A HN 0.265 nan 8.150 nan 0.000 0.449 388 A N -0.675 122.226 122.820 0.136 0.000 2.208 388 A HA 0.360 4.670 4.320 -0.017 0.000 0.209 388 A C 0.833 178.586 177.584 0.281 0.000 1.161 388 A CA -0.255 51.880 52.037 0.163 0.000 0.782 388 A CB -0.434 18.616 19.000 0.084 0.000 0.816 388 A HN 0.448 nan 8.150 nan 0.000 0.477 389 I N -0.157 120.496 120.570 0.137 0.000 2.752 389 I HA -0.117 4.043 4.170 -0.017 0.000 0.287 389 I C 0.356 176.441 176.117 -0.052 0.000 1.188 389 I CA 0.091 61.372 61.300 -0.033 0.000 1.427 389 I CB 0.385 38.167 38.000 -0.362 0.000 1.365 389 I HN 0.344 nan 8.210 nan 0.000 0.585 390 Y N 6.591 126.726 120.300 -0.275 0.000 2.667 390 Y HA 0.137 4.677 4.550 -0.017 0.000 0.340 390 Y C 1.117 176.889 175.900 -0.215 0.000 1.303 390 Y CA -0.602 57.231 58.100 -0.446 0.000 1.769 390 Y CB -0.711 37.510 38.460 -0.398 0.000 1.804 390 Y HN 0.516 nan 8.280 nan 0.000 0.451 391 H N 1.393 120.410 119.070 -0.087 0.000 2.457 391 H HA -0.177 4.371 4.556 -0.015 0.000 0.297 391 H C 1.936 177.042 175.328 -0.371 0.000 1.092 391 H CA 1.777 57.743 56.048 -0.136 0.000 1.309 391 H CB 0.193 29.942 29.762 -0.023 0.000 1.382 391 H HN 0.565 nan 8.280 nan 0.000 0.535 392 L N 0.693 121.640 121.223 -0.461 0.000 1.989 392 L HA -0.222 4.108 4.340 -0.017 0.000 0.211 392 L C 2.340 178.929 176.870 -0.467 0.000 1.071 392 L CA 1.885 56.422 54.840 -0.505 0.000 0.749 392 L CB -0.571 41.155 42.059 -0.554 0.000 0.890 392 L HN 0.298 nan 8.230 nan 0.000 0.431 393 Q N -1.359 118.021 119.800 -0.699 0.000 2.137 393 Q HA -0.170 4.160 4.340 -0.017 0.000 0.198 393 Q C 2.237 178.132 176.000 -0.176 0.000 0.960 393 Q CA 1.395 56.990 55.803 -0.346 0.000 0.847 393 Q CB -0.127 28.480 28.738 -0.218 0.000 0.915 393 Q HN 0.524 nan 8.270 nan 0.000 0.448 394 L N 0.109 121.243 121.223 -0.149 0.000 1.994 394 L HA -0.119 4.211 4.340 -0.017 0.000 0.208 394 L C 2.051 178.965 176.870 0.074 0.000 1.071 394 L CA 1.821 56.649 54.840 -0.020 0.000 0.745 394 L CB -0.683 41.379 42.059 0.004 0.000 0.892 394 L HN 0.366 nan 8.230 nan 0.000 0.431 395 F N 0.088 120.000 119.950 -0.065 0.000 2.186 395 F HA -0.197 4.320 4.527 -0.018 0.000 0.299 395 F C 2.439 178.226 175.800 -0.022 0.000 1.090 395 F CA 1.698 59.698 58.000 -0.000 0.000 1.307 395 F CB -0.027 38.910 39.000 -0.105 0.000 1.019 395 F HN 0.239 nan 8.300 nan 0.000 0.489 396 E N 0.249 120.335 120.200 -0.190 0.000 2.058 396 E HA -0.256 4.084 4.350 -0.017 0.000 0.194 396 E C 2.058 178.536 176.600 -0.203 0.000 0.997 396 E CA 1.793 58.042 56.400 -0.252 0.000 0.801 396 E CB -0.092 29.514 29.700 -0.157 0.000 0.746 396 E HN 0.578 nan 8.360 nan 0.000 0.450 397 E N 0.142 120.269 120.200 -0.121 0.000 2.072 397 E HA -0.163 4.177 4.350 -0.017 0.000 0.191 397 E C 2.279 178.845 176.600 -0.056 0.000 0.985 397 E CA 0.707 57.061 56.400 -0.077 0.000 0.801 397 E CB -0.019 29.652 29.700 -0.048 0.000 0.750 397 E HN 0.289 nan 8.360 nan 0.000 0.452 398 L N 0.645 121.851 121.223 -0.028 0.000 2.083 398 L HA -0.190 4.140 4.340 -0.017 0.000 0.209 398 L C 2.663 179.562 176.870 0.048 0.000 1.083 398 L CA 1.005 55.877 54.840 0.052 0.000 0.752 398 L CB -0.382 41.788 42.059 0.184 0.000 0.899 398 L HN 0.093 nan 8.230 nan 0.000 0.433 399 R N -0.004 120.388 120.500 -0.181 0.000 2.113 399 R HA -0.239 4.091 4.340 -0.017 0.000 0.231 399 R C 2.443 178.680 176.300 -0.105 0.000 1.129 399 R CA 1.997 57.947 56.100 -0.251 0.000 0.915 399 R CB -0.424 29.591 30.300 -0.474 0.000 0.837 399 R HN 0.218 nan 8.270 nan 0.000 0.430 400 R N 0.481 120.914 120.500 -0.112 0.000 2.119 400 R HA -0.155 4.175 4.340 -0.017 0.000 0.246 400 R C 2.140 178.423 176.300 -0.028 0.000 1.146 400 R CA 1.588 57.649 56.100 -0.065 0.000 0.962 400 R CB -0.231 30.031 30.300 -0.064 0.000 0.863 400 R HN 0.247 nan 8.270 nan 0.000 0.442 401 L N -0.082 121.133 121.223 -0.013 0.000 2.558 401 L HA 0.200 4.530 4.340 -0.017 0.000 0.225 401 L C 0.631 177.520 176.870 0.031 0.000 1.128 401 L CA -0.366 54.478 54.840 0.006 0.000 0.868 401 L CB 0.028 42.089 42.059 0.003 0.000 1.006 401 L HN 0.088 nan 8.230 nan 0.000 0.454 402 A N 1.537 124.392 122.820 0.058 0.000 2.505 402 A HA 0.323 4.633 4.320 -0.017 0.000 0.271 402 A C -2.033 175.592 177.584 0.069 0.000 1.112 402 A CA -0.954 51.149 52.037 0.111 0.000 0.781 402 A CB -0.749 18.366 19.000 0.192 0.000 1.059 402 A HN -0.005 nan 8.150 nan 0.000 0.508 403 P HA 0.135 nan 4.420 nan 0.000 0.265 403 P C -0.517 176.813 177.300 0.049 0.000 1.193 403 P CA 0.025 63.153 63.100 0.047 0.000 0.765 403 P CB 0.269 31.997 31.700 0.045 0.000 0.823 404 I N 3.055 123.645 120.570 0.032 0.000 2.436 404 I HA 0.214 4.374 4.170 -0.017 0.000 0.289 404 I C 1.110 177.246 176.117 0.032 0.000 1.083 404 I CA 0.811 62.128 61.300 0.028 0.000 1.372 404 I CB -0.060 37.950 38.000 0.016 0.000 1.408 404 I HN 0.384 nan 8.210 nan 0.000 0.516 405 T N 1.153 115.730 114.554 0.038 0.000 2.887 405 T HA 0.678 5.018 4.350 -0.017 0.000 0.292 405 T C 0.606 175.329 174.700 0.038 0.000 1.087 405 T CA -0.222 61.901 62.100 0.039 0.000 1.009 405 T CB 1.450 70.346 68.868 0.048 0.000 1.203 405 T HN 0.454 nan 8.240 nan 0.000 0.518 406 S N -0.409 115.313 115.700 0.037 0.000 2.593 406 S HA 0.224 4.684 4.470 -0.017 0.000 0.217 406 S C 0.686 175.316 174.600 0.049 0.000 0.966 406 S CA -0.235 57.987 58.200 0.037 0.000 0.914 406 S CB -0.434 62.785 63.200 0.032 0.000 0.776 406 S HN 0.814 nan 8.310 nan 0.000 0.523 407 D N 2.107 122.541 120.400 0.055 0.000 2.412 407 D HA 0.133 4.763 4.640 -0.017 0.000 0.257 407 D C -1.650 174.696 176.300 0.075 0.000 1.217 407 D CA -1.696 52.343 54.000 0.066 0.000 0.897 407 D CB 1.383 42.221 40.800 0.064 0.000 1.132 407 D HN 0.049 nan 8.370 nan 0.000 0.493 408 P HA -0.063 nan 4.420 nan 0.000 0.217 408 P C 1.240 178.603 177.300 0.105 0.000 1.151 408 P CA 0.902 64.064 63.100 0.103 0.000 0.828 408 P CB 0.243 32.032 31.700 0.148 0.000 0.788 409 T N -0.266 114.350 114.554 0.103 0.000 2.788 409 T HA -0.128 4.212 4.350 -0.017 0.000 0.268 409 T C 1.588 176.344 174.700 0.093 0.000 1.044 409 T CA 1.277 63.430 62.100 0.088 0.000 1.139 409 T CB -0.529 68.372 68.868 0.054 0.000 0.867 409 T HN 0.338 nan 8.240 nan 0.000 0.454 410 E N 1.154 121.414 120.200 0.100 0.000 2.046 410 E HA 0.015 4.355 4.350 -0.017 0.000 0.190 410 E C 2.648 179.308 176.600 0.101 0.000 0.982 410 E CA 0.866 57.346 56.400 0.135 0.000 0.800 410 E CB -0.220 29.564 29.700 0.141 0.000 0.756 410 E HN 0.456 nan 8.360 nan 0.000 0.449 411 A N 1.169 124.030 122.820 0.069 0.000 1.908 411 A HA -0.197 4.113 4.320 -0.017 0.000 0.218 411 A C 2.379 179.982 177.584 0.032 0.000 1.181 411 A CA 1.998 54.057 52.037 0.037 0.000 0.627 411 A CB -0.927 18.096 19.000 0.039 0.000 0.818 411 A HN 0.184 nan 8.150 nan 0.000 0.445 412 T N 0.241 114.828 114.554 0.055 0.000 2.777 412 T HA 0.020 4.360 4.350 -0.017 0.000 0.266 412 T C 2.249 176.975 174.700 0.044 0.000 1.040 412 T CA 1.504 63.636 62.100 0.053 0.000 1.141 412 T CB -0.477 68.435 68.868 0.075 0.000 0.868 412 T HN 0.607 nan 8.240 nan 0.000 0.444 413 A N 0.929 123.790 122.820 0.067 0.000 1.883 413 A HA -0.064 4.246 4.320 -0.017 0.000 0.217 413 A C 2.584 180.185 177.584 0.028 0.000 1.186 413 A CA 1.656 53.749 52.037 0.094 0.000 0.624 413 A CB -1.201 17.919 19.000 0.200 0.000 0.822 413 A HN 0.342 nan 8.150 nan 0.000 0.444 414 V N 0.049 119.902 119.914 -0.102 0.000 2.427 414 V HA -0.080 4.030 4.120 -0.017 0.000 0.248 414 V C 2.416 178.483 176.094 -0.044 0.000 1.051 414 V CA 2.422 64.557 62.300 -0.275 0.000 1.048 414 V CB -0.901 30.612 31.823 -0.515 0.000 0.666 414 V HN 0.558 nan 8.190 nan 0.000 0.456 415 G N -0.712 108.077 108.800 -0.017 0.000 2.418 415 G HA2 -0.215 3.735 3.960 -0.017 0.000 0.217 415 G HA3 -0.215 3.735 3.960 -0.017 0.000 0.217 415 G C 1.755 176.654 174.900 -0.001 0.000 1.158 415 G CA 0.992 46.098 45.100 0.011 0.000 0.771 415 G HN 0.736 nan 8.290 nan 0.000 0.545 416 A N -0.026 122.787 122.820 -0.012 0.000 1.930 416 A HA 0.132 4.442 4.320 -0.017 0.000 0.217 416 A C 2.579 180.108 177.584 -0.091 0.000 1.175 416 A CA 1.734 53.749 52.037 -0.037 0.000 0.627 416 A CB -0.464 18.525 19.000 -0.018 0.000 0.815 416 A HN 0.249 nan 8.150 nan 0.000 0.443 417 V N -0.057 119.802 119.914 -0.091 0.000 2.379 417 V HA -0.191 3.919 4.120 -0.017 0.000 0.245 417 V C 2.572 178.485 176.094 -0.301 0.000 1.044 417 V CA 2.252 64.411 62.300 -0.235 0.000 1.036 417 V CB -0.584 31.155 31.823 -0.140 0.000 0.664 417 V HN 0.736 nan 8.190 nan 0.000 0.453 418 E N 1.343 121.483 120.200 -0.099 0.000 2.058 418 E HA -0.222 4.117 4.350 -0.017 0.000 0.194 418 E C 2.092 178.700 176.600 0.013 0.000 0.997 418 E CA 1.959 58.384 56.400 0.043 0.000 0.801 418 E CB -0.536 29.290 29.700 0.210 0.000 0.746 418 E HN 0.488 nan 8.360 nan 0.000 0.450 419 A N 0.263 123.066 122.820 -0.028 0.000 1.933 419 A HA -0.194 4.116 4.320 -0.017 0.000 0.218 419 A C 2.408 179.938 177.584 -0.091 0.000 1.175 419 A CA 2.331 54.344 52.037 -0.039 0.000 0.628 419 A CB -1.000 17.977 19.000 -0.039 0.000 0.814 419 A HN 0.463 nan 8.150 nan 0.000 0.444 420 S N -1.139 114.447 115.700 -0.191 0.000 2.402 420 S HA -0.082 4.378 4.470 -0.017 0.000 0.229 420 S C 1.681 176.094 174.600 -0.312 0.000 1.021 420 S CA 1.251 59.281 58.200 -0.282 0.000 0.974 420 S CB -0.702 62.257 63.200 -0.401 0.000 0.800 420 S HN 0.345 nan 8.310 nan 0.000 0.484 421 F N 2.357 122.190 119.950 -0.194 0.000 2.128 421 F HA 0.208 4.725 4.527 -0.017 0.000 0.295 421 F C 2.555 178.296 175.800 -0.099 0.000 1.100 421 F CA 1.130 59.026 58.000 -0.173 0.000 1.260 421 F CB -0.656 38.209 39.000 -0.225 0.000 1.009 421 F HN 0.177 nan 8.300 nan 0.000 0.476 422 K N 0.826 121.287 120.400 0.102 0.000 2.103 422 K HA -0.185 4.125 4.320 -0.017 0.000 0.207 422 K C 1.729 178.343 176.600 0.024 0.000 1.048 422 K CA 1.905 58.227 56.287 0.058 0.000 0.930 422 K CB -0.655 31.870 32.500 0.042 0.000 0.716 422 K HN 0.440 nan 8.250 nan 0.000 0.444 423 C N -2.362 116.933 119.300 -0.008 0.000 3.000 423 C HA 0.436 4.886 4.460 -0.017 0.000 0.286 423 C C 0.741 175.712 174.990 -0.032 0.000 1.343 423 C CA -0.781 58.224 59.018 -0.021 0.000 1.742 423 C CB -1.841 25.877 27.740 -0.036 0.000 2.200 423 C HN 0.505 nan 8.230 nan 0.000 0.621 424 C N 3.843 123.123 119.300 -0.033 0.000 3.744 424 C HA -0.110 4.340 4.460 -0.017 0.000 0.290 424 C C 1.135 176.081 174.990 -0.073 0.000 1.385 424 C CA 0.864 59.853 59.018 -0.048 0.000 2.099 424 C CB -3.042 24.693 27.740 -0.008 0.000 1.359 424 C HN 1.087 nan 8.230 nan 0.000 0.629 425 S N 0.687 116.318 115.700 -0.114 0.000 2.573 425 S HA 0.403 4.863 4.470 -0.017 0.000 0.277 425 S C 1.455 176.003 174.600 -0.087 0.000 1.346 425 S CA 0.387 58.519 58.200 -0.114 0.000 1.034 425 S CB 1.551 64.665 63.200 -0.144 0.000 0.879 425 S HN 1.375 nan 8.310 nan 0.000 0.528 426 G N 1.111 109.882 108.800 -0.048 0.000 2.534 426 G HA2 0.430 4.380 3.960 -0.017 0.000 0.217 426 G HA3 0.430 4.380 3.960 -0.017 0.000 0.217 426 G C 0.400 175.393 174.900 0.154 0.000 1.128 426 G CA 0.392 45.553 45.100 0.102 0.000 0.784 426 G HN 1.497 nan 8.290 nan 0.000 0.542 427 A N -1.196 121.634 122.820 0.017 0.000 2.544 427 A HA 0.615 4.925 4.320 -0.017 0.000 0.291 427 A C -1.770 175.788 177.584 -0.044 0.000 1.055 427 A CA -0.739 51.324 52.037 0.042 0.000 0.651 427 A CB 0.405 19.583 19.000 0.297 0.000 1.296 427 A HN 0.179 nan 8.150 nan 0.000 0.431 428 I N 1.259 121.814 120.570 -0.025 0.000 2.410 428 I HA 0.390 4.550 4.170 -0.017 0.000 0.286 428 I C -0.839 175.293 176.117 0.025 0.000 1.009 428 I CA -0.268 61.013 61.300 -0.031 0.000 1.111 428 I CB 1.515 39.484 38.000 -0.052 0.000 1.262 428 I HN 0.473 nan 8.210 nan 0.000 0.443 429 I N 6.980 127.563 120.570 0.023 0.000 2.325 429 I HA 0.331 4.491 4.170 -0.017 0.000 0.291 429 I C -0.488 175.651 176.117 0.038 0.000 1.019 429 I CA -0.581 60.752 61.300 0.056 0.000 1.302 429 I CB 1.394 39.422 38.000 0.046 0.000 1.401 429 I HN 0.215 nan 8.210 nan 0.000 0.485 430 V N 7.520 127.464 119.914 0.051 0.000 2.483 430 V HA 0.314 4.424 4.120 -0.017 0.000 0.297 430 V C -0.211 175.904 176.094 0.035 0.000 1.027 430 V CA -0.715 61.604 62.300 0.032 0.000 0.855 430 V CB 1.747 33.581 31.823 0.017 0.000 0.995 430 V HN 0.379 nan 8.190 nan 0.000 0.424 431 L N 4.081 125.320 121.223 0.027 0.000 2.360 431 L HA 0.632 4.962 4.340 -0.017 0.000 0.276 431 L C 0.451 177.327 176.870 0.009 0.000 1.121 431 L CA 1.057 55.913 54.840 0.027 0.000 0.845 431 L CB 1.262 43.334 42.059 0.022 0.000 1.143 431 L HN 0.834 nan 8.230 nan 0.000 0.452 432 T N 2.542 117.095 114.554 -0.001 0.000 3.041 432 T HA 0.360 4.700 4.350 -0.017 0.000 0.321 432 T C 0.563 175.242 174.700 -0.034 0.000 1.184 432 T CA -0.607 61.468 62.100 -0.042 0.000 1.050 432 T CB 0.941 69.749 68.868 -0.101 0.000 1.159 432 T HN 0.676 nan 8.240 nan 0.000 0.469 433 K N 1.399 121.772 120.400 -0.044 0.000 2.141 433 K HA 0.084 4.394 4.320 -0.017 0.000 0.202 433 K C 2.045 178.616 176.600 -0.047 0.000 1.045 433 K CA 1.026 57.294 56.287 -0.032 0.000 0.971 433 K CB 0.080 32.564 32.500 -0.026 0.000 0.795 433 K HN 0.595 nan 8.250 nan 0.000 0.459 434 S N -0.904 114.748 115.700 -0.080 0.000 2.517 434 S HA 0.203 4.663 4.470 -0.017 0.000 0.214 434 S C 1.451 175.976 174.600 -0.125 0.000 0.991 434 S CA 0.445 58.600 58.200 -0.076 0.000 0.906 434 S CB 0.781 63.933 63.200 -0.081 0.000 0.789 434 S HN 0.457 nan 8.310 nan 0.000 0.513 435 G N 2.075 110.736 108.800 -0.232 0.000 2.258 435 G HA2 -0.309 3.641 3.960 -0.017 0.000 0.233 435 G HA3 -0.309 3.641 3.960 -0.017 0.000 0.233 435 G C 1.102 175.369 174.900 -1.055 0.000 1.006 435 G CA 0.239 45.033 45.100 -0.511 0.000 0.620 435 G HN 0.468 nan 8.290 nan 0.000 0.511 436 R N 0.910 121.014 120.500 -0.660 0.000 2.091 436 R HA -0.013 4.317 4.340 -0.017 0.000 0.238 436 R C 2.793 178.879 176.300 -0.356 0.000 1.136 436 R CA 1.830 57.629 56.100 -0.501 0.000 0.959 436 R CB -0.435 29.754 30.300 -0.185 0.000 0.856 436 R HN 0.437 nan 8.270 nan 0.000 0.437 437 S N 0.594 116.141 115.700 -0.256 0.000 2.368 437 S HA -0.152 4.308 4.470 -0.017 0.000 0.225 437 S C 2.036 176.567 174.600 -0.116 0.000 1.030 437 S CA 1.336 59.459 58.200 -0.129 0.000 0.999 437 S CB -0.134 63.019 63.200 -0.079 0.000 0.844 437 S HN 0.498 nan 8.310 nan 0.000 0.459 438 A N 1.104 123.806 122.820 -0.197 0.000 1.968 438 A HA -0.078 4.232 4.320 -0.017 0.000 0.217 438 A C 1.639 179.177 177.584 -0.077 0.000 1.169 438 A CA 1.168 53.139 52.037 -0.110 0.000 0.638 438 A CB -0.820 18.122 19.000 -0.097 0.000 0.812 438 A HN 0.690 nan 8.150 nan 0.000 0.446 439 H N -0.715 118.187 119.070 -0.280 0.000 2.353 439 H HA -0.146 4.400 4.556 -0.016 0.000 0.300 439 H C 2.284 177.538 175.328 -0.122 0.000 1.090 439 H CA 1.388 57.188 56.048 -0.414 0.000 1.327 439 H CB -0.026 29.350 29.762 -0.643 0.000 1.383 439 H HN 0.571 nan 8.280 nan 0.000 0.508 440 Q N 0.451 120.283 119.800 0.052 0.000 2.124 440 Q HA -0.112 4.218 4.340 -0.017 0.000 0.202 440 Q C 2.559 178.671 176.000 0.187 0.000 0.977 440 Q CA 1.348 57.213 55.803 0.104 0.000 0.850 440 Q CB 0.133 28.931 28.738 0.099 0.000 0.901 440 Q HN 0.285 nan 8.270 nan 0.000 0.429 441 V N 0.753 120.759 119.914 0.153 0.000 2.307 441 V HA -0.269 3.841 4.120 -0.017 0.000 0.245 441 V C 2.265 178.474 176.094 0.192 0.000 1.045 441 V CA 1.772 64.188 62.300 0.193 0.000 1.024 441 V CB -1.028 30.853 31.823 0.098 0.000 0.651 441 V HN 0.401 nan 8.190 nan 0.000 0.449 442 A N 1.363 124.265 122.820 0.137 0.000 1.940 442 A HA -0.274 4.036 4.320 -0.017 0.000 0.219 442 A C 2.354 180.016 177.584 0.130 0.000 1.176 442 A CA 2.180 54.306 52.037 0.150 0.000 0.631 442 A CB -0.632 18.486 19.000 0.197 0.000 0.814 442 A HN 0.707 nan 8.150 nan 0.000 0.446 443 R N -2.079 118.451 120.500 0.051 0.000 2.189 443 R HA -0.115 4.215 4.340 -0.017 0.000 0.223 443 R C 0.944 177.120 176.300 -0.206 0.000 1.092 443 R CA 1.630 57.669 56.100 -0.102 0.000 0.989 443 R CB -0.528 29.630 30.300 -0.236 0.000 0.876 443 R HN 0.504 nan 8.270 nan 0.000 0.457 444 Y N 0.888 121.311 120.300 0.206 0.000 2.466 444 Y HA 0.291 4.831 4.550 -0.017 0.000 0.272 444 Y C 0.083 176.186 175.900 0.338 0.000 1.169 444 Y CA -0.404 57.885 58.100 0.314 0.000 1.285 444 Y CB 0.384 39.086 38.460 0.404 0.000 1.078 444 Y HN -0.079 nan 8.280 nan 0.000 0.523 445 R N -0.271 120.417 120.500 0.314 0.000 3.205 445 R HA -0.147 4.183 4.340 -0.017 0.000 0.249 445 R C -2.929 173.564 176.300 0.321 0.000 0.937 445 R CA 0.199 56.476 56.100 0.296 0.000 0.641 445 R CB -2.135 28.350 30.300 0.308 0.000 1.114 445 R HN 0.286 nan 8.270 nan 0.000 0.451 446 P HA 0.020 nan 4.420 nan 0.000 0.272 446 P C 0.709 177.876 177.300 -0.222 0.000 1.230 446 P CA -0.231 62.699 63.100 -0.285 0.000 0.788 446 P CB 0.579 32.060 31.700 -0.365 0.000 0.949 447 R N 1.687 121.858 120.500 -0.549 0.000 2.093 447 R HA 0.040 4.370 4.340 -0.017 0.000 0.224 447 R C 0.759 176.903 176.300 -0.260 0.000 1.101 447 R CA 0.572 56.421 56.100 -0.419 0.000 0.979 447 R CB -0.504 29.476 30.300 -0.533 0.000 0.877 447 R HN 0.587 nan 8.270 nan 0.000 0.441 448 A N 3.019 125.641 122.820 -0.330 0.000 2.477 448 A HA 0.275 4.585 4.320 -0.017 0.000 0.246 448 A C -2.199 175.274 177.584 -0.186 0.000 1.078 448 A CA -1.346 50.549 52.037 -0.238 0.000 0.770 448 A CB 0.043 18.893 19.000 -0.250 0.000 1.011 448 A HN 0.288 nan 8.150 nan 0.000 0.494 449 P HA 0.183 nan 4.420 nan 0.000 0.269 449 P C -0.738 176.526 177.300 -0.061 0.000 1.209 449 P CA 0.263 63.246 63.100 -0.194 0.000 0.776 449 P CB 0.487 31.884 31.700 -0.504 0.000 0.876 450 I N 3.499 124.084 120.570 0.024 0.000 2.307 450 I HA 0.261 4.421 4.170 -0.017 0.000 0.287 450 I C 0.625 176.836 176.117 0.156 0.000 1.054 450 I CA -0.522 60.821 61.300 0.073 0.000 1.218 450 I CB 0.188 38.233 38.000 0.075 0.000 1.398 450 I HN 0.103 nan 8.210 nan 0.000 0.475 451 I N 6.273 126.950 120.570 0.178 0.000 2.308 451 I HA 0.276 4.436 4.170 -0.017 0.000 0.293 451 I C 0.699 176.923 176.117 0.179 0.000 1.078 451 I CA -0.107 61.347 61.300 0.257 0.000 1.292 451 I CB 0.723 38.890 38.000 0.279 0.000 1.423 451 I HN 0.580 nan 8.210 nan 0.000 0.493 452 A N 7.378 130.297 122.820 0.165 0.000 2.294 452 A HA 0.549 4.859 4.320 -0.017 0.000 0.316 452 A C -0.213 177.441 177.584 0.117 0.000 1.359 452 A CA -0.412 51.685 52.037 0.099 0.000 0.956 452 A CB 0.311 19.343 19.000 0.053 0.000 1.155 452 A HN 0.481 nan 8.150 nan 0.000 0.544 453 V N 2.984 122.973 119.914 0.125 0.000 2.383 453 V HA 0.611 4.721 4.120 -0.017 0.000 0.275 453 V C 0.586 176.741 176.094 0.101 0.000 1.036 453 V CA 0.034 62.435 62.300 0.170 0.000 0.889 453 V CB 1.064 33.013 31.823 0.210 0.000 0.985 453 V HN 0.935 nan 8.190 nan 0.000 0.459 454 T N 4.408 119.018 114.554 0.094 0.000 2.883 454 T HA 0.433 4.773 4.350 -0.017 0.000 0.301 454 T C 0.514 175.228 174.700 0.023 0.000 1.158 454 T CA -0.641 61.485 62.100 0.043 0.000 1.007 454 T CB 1.775 70.659 68.868 0.026 0.000 1.186 454 T HN 0.637 nan 8.240 nan 0.000 0.499 455 R N 1.387 121.887 120.500 -0.000 0.000 2.334 455 R HA 0.204 4.533 4.340 -0.017 0.000 0.212 455 R C 0.376 176.669 176.300 -0.011 0.000 0.897 455 R CA -0.238 55.848 56.100 -0.022 0.000 1.056 455 R CB 0.207 30.490 30.300 -0.028 0.000 1.046 455 R HN 0.382 nan 8.270 nan 0.000 0.513 456 N N 1.970 120.670 118.700 0.001 0.000 2.406 456 N HA 0.072 4.802 4.740 -0.017 0.000 0.251 456 N C -2.049 173.471 175.510 0.017 0.000 1.069 456 N CA -1.936 51.117 53.050 0.004 0.000 0.947 456 N CB 1.706 40.194 38.487 0.002 0.000 1.111 456 N HN -0.148 nan 8.380 nan 0.000 0.497 457 P HA -0.156 nan 4.420 nan 0.000 0.215 457 P C 1.216 178.545 177.300 0.047 0.000 1.153 457 P CA 1.158 64.283 63.100 0.041 0.000 0.853 457 P CB 0.386 32.105 31.700 0.032 0.000 0.788 458 Q N -0.645 119.175 119.800 0.033 0.000 2.084 458 Q HA -0.135 4.195 4.340 -0.017 0.000 0.202 458 Q C 1.828 177.853 176.000 0.043 0.000 0.978 458 Q CA 2.117 57.941 55.803 0.035 0.000 0.844 458 Q CB -0.669 28.083 28.738 0.023 0.000 0.898 458 Q HN 0.130 nan 8.270 nan 0.000 0.426 459 T N 0.658 115.233 114.554 0.036 0.000 2.699 459 T HA -0.197 4.143 4.350 -0.017 0.000 0.268 459 T C 1.747 176.465 174.700 0.030 0.000 1.036 459 T CA 1.356 63.479 62.100 0.039 0.000 1.147 459 T CB -0.400 68.475 68.868 0.011 0.000 0.862 459 T HN 0.483 nan 8.240 nan 0.000 0.446 460 A N 1.550 124.382 122.820 0.020 0.000 1.933 460 A HA -0.096 4.213 4.320 -0.017 0.000 0.218 460 A C 2.396 179.935 177.584 -0.076 0.000 1.175 460 A CA 1.295 53.324 52.037 -0.013 0.000 0.628 460 A CB -0.409 18.618 19.000 0.045 0.000 0.814 460 A HN 0.428 nan 8.150 nan 0.000 0.444 461 R N -0.770 119.735 120.500 0.009 0.000 2.073 461 R HA -0.075 4.255 4.340 -0.017 0.000 0.229 461 R C 2.358 178.701 176.300 0.071 0.000 1.120 461 R CA 1.476 57.608 56.100 0.053 0.000 0.967 461 R CB -0.314 30.037 30.300 0.084 0.000 0.862 461 R HN 0.646 nan 8.270 nan 0.000 0.436 462 Q N 0.122 119.972 119.800 0.083 0.000 2.291 462 Q HA -0.017 4.313 4.340 -0.017 0.000 0.205 462 Q C 1.998 178.123 176.000 0.208 0.000 0.970 462 Q CA 1.086 56.974 55.803 0.142 0.000 0.876 462 Q CB 0.044 28.873 28.738 0.152 0.000 0.935 462 Q HN 0.334 nan 8.270 nan 0.000 0.455 463 A N 0.536 123.445 122.820 0.147 0.000 2.070 463 A HA -0.194 4.116 4.320 -0.017 0.000 0.220 463 A C 1.426 179.127 177.584 0.196 0.000 1.159 463 A CA 1.020 53.179 52.037 0.204 0.000 0.656 463 A CB -0.520 18.507 19.000 0.046 0.000 0.800 463 A HN 0.353 nan 8.150 nan 0.000 0.453 464 H N -0.250 118.914 119.070 0.156 0.000 2.489 464 H HA -0.043 4.502 4.556 -0.017 0.000 0.295 464 H C 1.775 177.157 175.328 0.089 0.000 1.082 464 H CA 1.270 57.381 56.048 0.105 0.000 1.295 464 H CB -0.261 29.533 29.762 0.053 0.000 1.380 464 H HN 0.461 nan 8.280 nan 0.000 0.548 465 L N -0.161 121.167 121.223 0.176 0.000 2.353 465 L HA -0.146 4.184 4.340 -0.017 0.000 0.220 465 L C 0.095 176.812 176.870 -0.255 0.000 1.133 465 L CA 0.765 55.560 54.840 -0.074 0.000 0.798 465 L CB -0.172 41.748 42.059 -0.232 0.000 0.922 465 L HN 0.139 nan 8.230 nan 0.000 0.445 466 Y N -0.663 119.655 120.300 0.031 0.000 2.331 466 Y HA 0.371 4.911 4.550 -0.016 0.000 0.338 466 Y C 0.585 176.527 175.900 0.071 0.000 0.976 466 Y CA -1.305 56.809 58.100 0.024 0.000 1.137 466 Y CB 0.803 39.274 38.460 0.018 0.000 1.172 466 Y HN -0.101 nan 8.280 nan 0.000 0.478 467 R N 1.819 122.419 120.500 0.165 0.000 2.523 467 R HA 0.238 4.568 4.340 -0.017 0.000 0.281 467 R C 1.194 177.595 176.300 0.169 0.000 0.969 467 R CA 1.550 57.737 56.100 0.145 0.000 1.093 467 R CB -0.420 29.946 30.300 0.110 0.000 0.917 467 R HN 0.993 nan 8.270 nan 0.000 0.408 468 G N 3.696 112.586 108.800 0.150 0.000 2.241 468 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.244 468 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.244 468 G C 0.228 175.221 174.900 0.155 0.000 0.998 468 G CA 0.145 45.320 45.100 0.125 0.000 0.621 468 G HN 0.568 nan 8.290 nan 0.000 0.519 469 I N 0.905 121.595 120.570 0.201 0.000 2.416 469 I HA 0.467 4.627 4.170 -0.017 0.000 0.288 469 I C -0.198 176.074 176.117 0.258 0.000 1.051 469 I CA -0.522 60.902 61.300 0.206 0.000 1.375 469 I CB 0.854 38.968 38.000 0.190 0.000 1.407 469 I HN 0.090 nan 8.210 nan 0.000 0.516 470 F N 9.958 129.967 119.950 0.099 0.000 2.325 470 F HA 0.481 4.997 4.527 -0.017 0.000 0.369 470 F C -2.334 173.518 175.800 0.087 0.000 1.095 470 F CA -2.490 55.587 58.000 0.129 0.000 1.082 470 F CB 1.044 40.156 39.000 0.187 0.000 1.289 470 F HN 0.227 nan 8.300 nan 0.000 0.462 471 P HA 0.289 nan 4.420 nan 0.000 0.285 471 P C -1.258 175.985 177.300 -0.095 0.000 1.259 471 P CA -0.246 62.782 63.100 -0.121 0.000 0.794 471 P CB 1.920 33.468 31.700 -0.253 0.000 0.940 472 V N 1.782 121.748 119.914 0.086 0.000 2.588 472 V HA 0.517 4.627 4.120 -0.017 0.000 0.304 472 V C -0.772 175.500 176.094 0.297 0.000 1.042 472 V CA -1.194 61.232 62.300 0.210 0.000 0.877 472 V CB 1.844 33.810 31.823 0.238 0.000 0.996 472 V HN 0.283 nan 8.190 nan 0.000 0.425 473 L N 6.116 127.529 121.223 0.317 0.000 2.259 473 L HA 0.574 4.904 4.340 -0.017 0.000 0.288 473 L C 0.053 176.958 176.870 0.059 0.000 1.051 473 L CA -0.060 54.886 54.840 0.177 0.000 0.824 473 L CB 0.408 42.559 42.059 0.154 0.000 1.206 473 L HN 1.071 nan 8.230 nan 0.000 0.429 474 C N 6.087 125.321 119.300 -0.110 0.000 2.576 474 C HA 0.291 4.741 4.460 -0.017 0.000 0.401 474 C C 1.434 176.227 174.990 -0.327 0.000 1.314 474 C CA -0.501 58.198 59.018 -0.532 0.000 1.855 474 C CB -0.425 27.044 27.740 -0.453 0.000 2.537 474 C HN 0.865 nan 8.230 nan 0.000 0.578 475 K N 2.782 122.966 120.400 -0.360 0.000 2.353 475 K HA 0.150 4.460 4.320 -0.017 0.000 0.195 475 K C 0.187 176.677 176.600 -0.183 0.000 1.031 475 K CA 0.053 56.211 56.287 -0.215 0.000 1.079 475 K CB -0.054 32.339 32.500 -0.178 0.000 0.857 475 K HN 0.723 nan 8.250 nan 0.000 0.535 476 D N 3.080 123.341 120.400 -0.230 0.000 2.449 476 D HA 0.054 4.684 4.640 -0.017 0.000 0.236 476 D C -2.182 174.054 176.300 -0.106 0.000 1.149 476 D CA -1.063 52.845 54.000 -0.154 0.000 0.878 476 D CB 0.134 40.835 40.800 -0.164 0.000 1.198 476 D HN -0.029 nan 8.370 nan 0.000 0.446 477 P HA 0.025 nan 4.420 nan 0.000 0.269 477 P C -0.377 176.901 177.300 -0.037 0.000 1.215 477 P CA -0.452 62.619 63.100 -0.047 0.000 0.780 477 P CB 0.476 32.156 31.700 -0.034 0.000 0.898 478 V N 3.866 123.768 119.914 -0.020 0.000 2.425 478 V HA -0.029 4.081 4.120 -0.017 0.000 0.276 478 V C 0.911 177.011 176.094 0.010 0.000 1.017 478 V CA 0.117 62.419 62.300 0.002 0.000 1.062 478 V CB -0.527 31.308 31.823 0.021 0.000 0.997 478 V HN 0.466 nan 8.190 nan 0.000 0.476 479 Q N 3.768 123.572 119.800 0.008 0.000 2.421 479 Q HA 0.183 4.513 4.340 -0.017 0.000 0.255 479 Q C 1.541 177.565 176.000 0.039 0.000 1.013 479 Q CA 0.658 56.469 55.803 0.012 0.000 0.895 479 Q CB 0.512 29.249 28.738 -0.002 0.000 1.271 479 Q HN 0.890 nan 8.270 nan 0.000 0.460 480 E N 1.756 121.976 120.200 0.033 0.000 2.047 480 E HA 0.014 4.354 4.350 -0.017 0.000 0.191 480 E C 0.682 177.324 176.600 0.070 0.000 0.987 480 E CA 1.237 57.663 56.400 0.043 0.000 0.799 480 E CB -0.101 29.616 29.700 0.028 0.000 0.752 480 E HN 0.733 nan 8.360 nan 0.000 0.449 481 A N -0.627 122.232 122.820 0.065 0.000 2.347 481 A HA 0.423 4.733 4.320 -0.017 0.000 0.287 481 A C 0.606 178.268 177.584 0.130 0.000 1.199 481 A CA -0.007 52.085 52.037 0.092 0.000 0.851 481 A CB -0.326 18.708 19.000 0.057 0.000 1.118 481 A HN 0.616 nan 8.150 nan 0.000 0.525 482 W N 3.638 124.934 121.300 -0.006 0.000 2.335 482 W HA -0.232 4.418 4.660 -0.017 0.000 0.311 482 W C 1.998 178.516 176.519 -0.001 0.000 1.213 482 W CA 2.634 59.974 57.345 -0.008 0.000 1.274 482 W CB -0.180 29.272 29.460 -0.013 0.000 1.148 482 W HN 0.733 nan 8.180 nan 0.000 0.498 483 A N 0.147 122.962 122.820 -0.008 0.000 1.948 483 A HA -0.288 4.022 4.320 -0.017 0.000 0.220 483 A C 1.837 179.303 177.584 -0.197 0.000 1.177 483 A CA 2.195 54.122 52.037 -0.184 0.000 0.636 483 A CB -0.851 18.136 19.000 -0.021 0.000 0.815 483 A HN 0.537 nan 8.150 nan 0.000 0.449 484 E N -1.210 118.928 120.200 -0.103 0.000 2.158 484 E HA -0.137 4.203 4.350 -0.017 0.000 0.191 484 E C 1.586 178.121 176.600 -0.109 0.000 0.982 484 E CA 0.916 57.267 56.400 -0.082 0.000 0.823 484 E CB -0.107 29.574 29.700 -0.032 0.000 0.766 484 E HN 0.717 nan 8.360 nan 0.000 0.468 485 D N -0.046 120.274 120.400 -0.134 0.000 2.183 485 D HA -0.106 4.524 4.640 -0.017 0.000 0.203 485 D C 1.848 178.019 176.300 -0.215 0.000 0.969 485 D CA 0.508 54.430 54.000 -0.131 0.000 0.842 485 D CB 0.304 41.064 40.800 -0.067 0.000 0.957 485 D HN -0.091 nan 8.370 nan 0.000 0.484 486 V N 0.813 120.482 119.914 -0.408 0.000 2.261 486 V HA -0.226 3.884 4.120 -0.017 0.000 0.246 486 V C 1.795 177.759 176.094 -0.215 0.000 1.047 486 V CA 2.010 64.059 62.300 -0.420 0.000 1.015 486 V CB -0.509 30.874 31.823 -0.734 0.000 0.642 486 V HN 0.237 nan 8.190 nan 0.000 0.446 487 D N -0.249 120.042 120.400 -0.181 0.000 2.178 487 D HA -0.157 4.473 4.640 -0.017 0.000 0.201 487 D C 2.005 178.277 176.300 -0.046 0.000 0.980 487 D CA 1.132 55.074 54.000 -0.096 0.000 0.842 487 D CB -0.274 40.479 40.800 -0.078 0.000 0.948 487 D HN 0.416 nan 8.370 nan 0.000 0.472 488 L N 0.466 121.658 121.223 -0.051 0.000 2.046 488 L HA -0.166 4.164 4.340 -0.017 0.000 0.208 488 L C 2.365 179.254 176.870 0.030 0.000 1.077 488 L CA 1.390 56.221 54.840 -0.014 0.000 0.747 488 L CB 0.057 42.093 42.059 -0.037 0.000 0.896 488 L HN -0.122 nan 8.230 nan 0.000 0.432 489 R N -1.008 119.495 120.500 0.006 0.000 2.075 489 R HA -0.104 4.226 4.340 -0.017 0.000 0.232 489 R C 2.144 178.523 176.300 0.132 0.000 1.126 489 R CA 1.443 57.587 56.100 0.074 0.000 0.963 489 R CB -0.496 29.817 30.300 0.021 0.000 0.858 489 R HN 0.274 nan 8.270 nan 0.000 0.435 490 V N 1.762 121.708 119.914 0.052 0.000 2.324 490 V HA -0.297 3.813 4.120 -0.017 0.000 0.250 490 V C 1.907 178.050 176.094 0.082 0.000 1.060 490 V CA 2.123 64.453 62.300 0.050 0.000 1.042 490 V CB -0.660 31.160 31.823 -0.004 0.000 0.650 490 V HN 0.375 nan 8.190 nan 0.000 0.450 491 N N -0.432 118.318 118.700 0.084 0.000 2.244 491 N HA -0.151 4.579 4.740 -0.017 0.000 0.183 491 N C 1.564 177.168 175.510 0.156 0.000 1.016 491 N CA 1.013 54.119 53.050 0.094 0.000 0.866 491 N CB -0.290 38.239 38.487 0.070 0.000 0.980 491 N HN 0.430 nan 8.380 nan 0.000 0.430 492 F N 1.163 121.130 119.950 0.028 0.000 2.095 492 F HA -0.068 4.449 4.527 -0.017 0.000 0.298 492 F C 2.116 177.957 175.800 0.069 0.000 1.104 492 F CA 1.514 59.538 58.000 0.040 0.000 1.232 492 F CB -0.829 38.191 39.000 0.032 0.000 0.987 492 F HN 0.096 nan 8.300 nan 0.000 0.475 493 A N 0.368 123.228 122.820 0.067 0.000 1.933 493 A HA -0.172 4.138 4.320 -0.017 0.000 0.218 493 A C 2.208 179.843 177.584 0.084 0.000 1.175 493 A CA 1.762 53.803 52.037 0.007 0.000 0.628 493 A CB -0.645 18.429 19.000 0.123 0.000 0.814 493 A HN 0.405 nan 8.150 nan 0.000 0.444 494 M N 0.278 119.959 119.600 0.135 0.000 2.117 494 M HA -0.133 4.337 4.480 -0.017 0.000 0.262 494 M C 1.617 178.000 176.300 0.138 0.000 1.065 494 M CA 1.309 56.758 55.300 0.248 0.000 1.114 494 M CB -1.647 31.037 32.600 0.140 0.000 1.361 494 M HN 0.396 nan 8.290 nan 0.000 0.408 495 N N 0.471 119.171 118.700 0.000 0.000 2.166 495 N HA -0.087 4.643 4.740 -0.017 0.000 0.186 495 N C 1.943 177.325 175.510 -0.213 0.000 1.019 495 N CA 1.036 54.039 53.050 -0.078 0.000 0.856 495 N CB -0.578 37.885 38.487 -0.041 0.000 0.993 495 N HN 0.169 nan 8.380 nan 0.000 0.426 496 V N 0.844 120.564 119.914 -0.324 0.000 2.295 496 V HA -0.166 3.944 4.120 -0.017 0.000 0.246 496 V C 2.423 178.184 176.094 -0.554 0.000 1.049 496 V CA 2.125 64.192 62.300 -0.389 0.000 1.024 496 V CB -1.217 30.389 31.823 -0.363 0.000 0.648 496 V HN 0.354 nan 8.190 nan 0.000 0.447 497 G N -0.488 107.949 108.800 -0.606 0.000 2.418 497 G HA2 -0.234 3.716 3.960 -0.017 0.000 0.217 497 G HA3 -0.234 3.716 3.960 -0.017 0.000 0.217 497 G C 1.668 175.859 174.900 -1.183 0.000 1.158 497 G CA 0.869 45.214 45.100 -1.258 0.000 0.771 497 G HN 0.477 nan 8.290 nan 0.000 0.545 498 K N 0.580 120.571 120.400 -0.682 0.000 2.025 498 K HA 0.120 4.430 4.320 -0.017 0.000 0.207 498 K C 2.913 179.315 176.600 -0.329 0.000 1.049 498 K CA 1.072 57.141 56.287 -0.364 0.000 0.933 498 K CB -0.223 32.211 32.500 -0.110 0.000 0.714 498 K HN 0.247 nan 8.250 nan 0.000 0.438 499 A N 1.251 123.878 122.820 -0.320 0.000 1.930 499 A HA -0.111 4.199 4.320 -0.017 0.000 0.217 499 A C 1.854 179.249 177.584 -0.314 0.000 1.175 499 A CA 1.198 53.086 52.037 -0.249 0.000 0.627 499 A CB -0.186 18.699 19.000 -0.191 0.000 0.815 499 A HN 0.092 nan 8.150 nan 0.000 0.443 500 R N -1.117 119.062 120.500 -0.535 0.000 2.299 500 R HA 0.093 4.423 4.340 -0.017 0.000 0.197 500 R C 1.160 177.130 176.300 -0.549 0.000 0.971 500 R CA 0.733 56.448 56.100 -0.643 0.000 1.030 500 R CB -0.533 29.033 30.300 -1.224 0.000 0.932 500 R HN 0.823 nan 8.270 nan 0.000 0.477 501 G N 1.139 109.664 108.800 -0.459 0.000 2.160 501 G HA2 -0.244 3.705 3.960 -0.017 0.000 0.244 501 G HA3 -0.244 3.705 3.960 -0.017 0.000 0.244 501 G C 0.398 175.258 174.900 -0.066 0.000 1.022 501 G CA -0.012 44.956 45.100 -0.219 0.000 0.741 501 G HN 0.233 nan 8.290 nan 0.000 0.508 502 F N -0.454 119.234 119.950 -0.435 0.000 2.335 502 F HA 0.390 4.907 4.527 -0.016 0.000 0.296 502 F C 1.405 177.089 175.800 -0.194 0.000 1.091 502 F CA 0.427 58.203 58.000 -0.373 0.000 1.399 502 F CB -0.558 38.135 39.000 -0.512 0.000 1.067 502 F HN 0.422 nan 8.300 nan 0.000 0.520 503 F N -1.132 118.872 119.950 0.090 0.000 2.877 503 F HA 0.586 5.103 4.527 -0.017 0.000 0.319 503 F C -0.836 174.962 175.800 -0.004 0.000 1.174 503 F CA -2.352 55.666 58.000 0.031 0.000 0.903 503 F CB 1.109 40.123 39.000 0.024 0.000 1.357 503 F HN -0.199 nan 8.300 nan 0.000 0.472 504 K N 0.072 120.669 120.400 0.328 0.000 2.439 504 K HA 0.497 4.807 4.320 -0.017 0.000 0.260 504 K C -1.395 175.303 176.600 0.162 0.000 1.032 504 K CA -1.291 55.106 56.287 0.184 0.000 0.882 504 K CB 2.209 34.762 32.500 0.087 0.000 1.420 504 K HN 0.785 nan 8.250 nan 0.000 0.455 505 K N 0.050 120.509 120.400 0.098 0.000 2.511 505 K HA 0.031 4.341 4.320 -0.017 0.000 0.280 505 K C 0.649 177.269 176.600 0.033 0.000 1.008 505 K CA 1.884 58.205 56.287 0.057 0.000 1.050 505 K CB -0.375 32.147 32.500 0.037 0.000 0.889 505 K HN 0.862 nan 8.250 nan 0.000 0.484 506 G N 3.063 111.868 108.800 0.008 0.000 2.241 506 G HA2 -0.229 3.721 3.960 -0.017 0.000 0.244 506 G HA3 -0.229 3.721 3.960 -0.017 0.000 0.244 506 G C -0.202 174.686 174.900 -0.019 0.000 0.998 506 G CA 0.196 45.292 45.100 -0.006 0.000 0.621 506 G HN 0.727 nan 8.290 nan 0.000 0.519 507 D N 0.238 120.631 120.400 -0.013 0.000 2.362 507 D HA 0.440 5.070 4.640 -0.017 0.000 0.238 507 D C 0.695 176.933 176.300 -0.104 0.000 1.212 507 D CA 0.111 54.091 54.000 -0.035 0.000 0.902 507 D CB 1.380 42.187 40.800 0.010 0.000 1.180 507 D HN 0.220 nan 8.370 nan 0.000 0.445 508 V N 1.303 121.153 119.914 -0.105 0.000 2.427 508 V HA 0.419 4.529 4.120 -0.017 0.000 0.286 508 V C 0.339 176.317 176.094 -0.193 0.000 1.034 508 V CA -0.575 61.645 62.300 -0.133 0.000 0.893 508 V CB 1.486 33.257 31.823 -0.088 0.000 0.982 508 V HN 0.408 nan 8.190 nan 0.000 0.452 509 V N 3.595 123.365 119.914 -0.240 0.000 3.074 509 V HA 0.689 4.799 4.120 -0.017 0.000 0.314 509 V C -0.707 175.285 176.094 -0.169 0.000 1.117 509 V CA -0.921 61.222 62.300 -0.261 0.000 1.014 509 V CB 2.378 33.928 31.823 -0.456 0.000 1.057 509 V HN 0.548 nan 8.190 nan 0.000 0.438 510 I N 2.204 122.691 120.570 -0.137 0.000 2.437 510 I HA 0.650 4.810 4.170 -0.017 0.000 0.298 510 I C -0.340 175.734 176.117 -0.073 0.000 0.984 510 I CA -0.590 60.653 61.300 -0.095 0.000 1.214 510 I CB 1.604 39.549 38.000 -0.092 0.000 1.365 510 I HN 0.529 nan 8.210 nan 0.000 0.469 511 V N 6.723 126.606 119.914 -0.050 0.000 2.577 511 V HA 0.464 4.574 4.120 -0.017 0.000 0.303 511 V C -0.227 175.861 176.094 -0.010 0.000 1.042 511 V CA -0.595 61.687 62.300 -0.030 0.000 0.872 511 V CB 2.450 34.251 31.823 -0.037 0.000 0.998 511 V HN 0.440 nan 8.190 nan 0.000 0.423 512 L N 5.029 126.254 121.223 0.004 0.000 2.313 512 L HA 0.851 5.181 4.340 -0.017 0.000 0.283 512 L C 0.312 177.197 176.870 0.026 0.000 1.013 512 L CA -0.116 54.737 54.840 0.021 0.000 0.816 512 L CB 2.117 44.191 42.059 0.025 0.000 1.236 512 L HN 0.898 nan 8.230 nan 0.000 0.419 513 T N -0.622 113.959 114.554 0.045 0.000 2.716 513 T HA 0.843 5.183 4.350 -0.017 0.000 0.286 513 T C -0.223 174.554 174.700 0.128 0.000 1.052 513 T CA -0.630 61.505 62.100 0.058 0.000 1.024 513 T CB 2.029 70.901 68.868 0.007 0.000 1.349 513 T HN 0.613 nan 8.240 nan 0.000 0.525 514 G N -1.055 107.863 108.800 0.196 0.000 2.816 514 G HA2 0.527 4.477 3.960 -0.017 0.000 0.288 514 G HA3 0.527 4.477 3.960 -0.017 0.000 0.288 514 G C 0.174 175.310 174.900 0.394 0.000 1.334 514 G CA -0.720 44.535 45.100 0.260 0.000 0.978 514 G HN 0.958 nan 8.290 nan 0.000 0.493 515 W N -0.202 121.266 121.300 0.281 0.000 3.077 515 W HA 0.291 4.941 4.660 -0.017 0.000 0.266 515 W C 0.321 176.875 176.519 0.058 0.000 1.300 515 W CA -0.089 57.375 57.345 0.197 0.000 1.586 515 W CB -0.150 29.356 29.460 0.076 0.000 1.103 515 W HN 0.607 nan 8.180 nan 0.000 0.652 516 R N -0.347 119.801 120.500 -0.587 0.000 2.752 516 R HA 0.564 4.894 4.340 -0.017 0.000 0.271 516 R C -3.229 172.511 176.300 -0.933 0.000 1.026 516 R CA -1.830 53.609 56.100 -1.101 0.000 0.901 516 R CB 0.327 29.869 30.300 -1.263 0.000 1.243 516 R HN -0.410 nan 8.270 nan 0.000 0.463 517 P HA 0.295 nan 4.420 nan 0.000 0.270 517 P C -0.101 177.099 177.300 -0.166 0.000 1.223 517 P CA 0.984 63.784 63.100 -0.500 0.000 0.785 517 P CB 0.569 31.912 31.700 -0.596 0.000 0.923 518 G N 0.079 108.882 108.800 0.006 0.000 2.707 518 G HA2 -0.078 3.872 3.960 -0.017 0.000 0.686 518 G HA3 -0.078 3.872 3.960 -0.017 0.000 0.686 518 G C -0.490 174.426 174.900 0.027 0.000 1.315 518 G CA -0.734 44.399 45.100 0.055 0.000 0.832 518 G HN 0.513 nan 8.290 nan 0.000 0.573 519 S N -0.222 115.403 115.700 -0.125 0.000 2.592 519 S HA 0.598 5.057 4.470 -0.017 0.000 0.271 519 S C 1.398 175.554 174.600 -0.740 0.000 1.326 519 S CA 1.502 59.532 58.200 -0.284 0.000 1.024 519 S CB 1.134 64.207 63.200 -0.212 0.000 0.921 519 S HN 2.587 nan 8.310 nan 0.000 0.527 520 G N 1.086 109.499 108.800 -0.644 0.000 2.163 520 G HA2 -0.203 3.747 3.960 -0.017 0.000 0.213 520 G HA3 -0.203 3.747 3.960 -0.017 0.000 0.213 520 G C 0.196 174.657 174.900 -0.732 0.000 0.991 520 G CA -0.184 44.465 45.100 -0.752 0.000 0.653 520 G HN 0.651 nan 8.290 nan 0.000 0.518 521 F N 1.389 121.277 119.950 -0.103 0.000 2.683 521 F HA 0.309 4.826 4.527 -0.016 0.000 0.306 521 F C 1.214 177.006 175.800 -0.013 0.000 1.102 521 F CA -0.187 57.712 58.000 -0.168 0.000 1.244 521 F CB 0.968 39.522 39.000 -0.744 0.000 1.029 521 F HN 0.004 nan 8.300 nan 0.000 0.545 522 T N 3.046 117.671 114.554 0.118 0.000 2.793 522 T HA -0.017 4.323 4.350 -0.017 0.000 0.289 522 T C 0.923 175.741 174.700 0.195 0.000 0.956 522 T CA 0.416 62.597 62.100 0.135 0.000 1.177 522 T CB 0.002 68.907 68.868 0.063 0.000 0.897 522 T HN 0.474 nan 8.240 nan 0.000 0.533 523 N N 0.887 119.726 118.700 0.231 0.000 1.997 523 N HA 0.002 4.731 4.740 -0.017 0.000 0.225 523 N C -0.756 174.854 175.510 0.166 0.000 1.383 523 N CA -0.444 52.742 53.050 0.226 0.000 0.770 523 N CB 0.791 39.487 38.487 0.348 0.000 1.178 523 N HN 0.370 nan 8.380 nan 0.000 0.515 524 T N 1.907 116.546 114.554 0.142 0.000 2.847 524 T HA 0.388 4.728 4.350 -0.017 0.000 0.291 524 T C -0.969 173.770 174.700 0.065 0.000 0.998 524 T CA -0.481 61.681 62.100 0.105 0.000 0.967 524 T CB 1.688 70.629 68.868 0.122 0.000 0.954 524 T HN 0.087 nan 8.240 nan 0.000 0.441 525 M N 4.023 123.649 119.600 0.044 0.000 2.243 525 M HA 0.528 4.998 4.480 -0.017 0.000 0.324 525 M C -1.144 175.160 176.300 0.007 0.000 1.031 525 M CA -0.467 54.845 55.300 0.020 0.000 0.949 525 M CB 1.200 33.810 32.600 0.016 0.000 1.615 525 M HN 0.580 nan 8.290 nan 0.000 0.430 526 R N 2.776 123.272 120.500 -0.008 0.000 2.686 526 R HA 0.691 5.021 4.340 -0.017 0.000 0.286 526 R C -1.192 175.085 176.300 -0.038 0.000 0.969 526 R CA -0.870 55.218 56.100 -0.019 0.000 0.898 526 R CB 2.519 32.807 30.300 -0.020 0.000 1.183 526 R HN 0.502 nan 8.270 nan 0.000 0.456 527 V N 3.661 123.551 119.914 -0.040 0.000 2.350 527 V HA 0.342 4.452 4.120 -0.017 0.000 0.276 527 V C -0.247 175.810 176.094 -0.061 0.000 1.028 527 V CA -0.565 61.701 62.300 -0.056 0.000 0.860 527 V CB 1.390 33.185 31.823 -0.047 0.000 0.990 527 V HN 0.433 nan 8.190 nan 0.000 0.453 528 V N 7.477 127.340 119.914 -0.084 0.000 2.656 528 V HA 0.507 4.617 4.120 -0.017 0.000 0.307 528 V C -2.343 173.685 176.094 -0.109 0.000 1.051 528 V CA -1.921 60.328 62.300 -0.085 0.000 0.893 528 V CB 2.682 34.453 31.823 -0.085 0.000 0.999 528 V HN 0.690 nan 8.190 nan 0.000 0.426 529 P HA 0.220 nan 4.420 nan 0.000 0.275 529 P C -0.461 176.775 177.300 -0.107 0.000 1.227 529 P CA -0.113 62.933 63.100 -0.090 0.000 0.781 529 P CB 1.069 32.737 31.700 -0.054 0.000 0.906 530 V N 5.710 125.544 119.914 -0.133 0.000 2.521 530 V HA 0.112 4.222 4.120 -0.017 0.000 0.286 530 V C -1.239 174.839 176.094 -0.027 0.000 1.034 530 V CA -0.906 61.327 62.300 -0.112 0.000 1.045 530 V CB 0.147 31.910 31.823 -0.100 0.000 0.974 530 V HN 0.654 nan 8.190 nan 0.000 0.480 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.105 63.100 0.008 0.000 0.800 531 P CB 0.000 31.705 31.700 0.008 0.000 0.726