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 3e3o_1_D DATA FIRST_RESID 8 DATA SEQUENCE EKRKQISVRG LAGVENVTEL KKNFNRHLHF TLVKDRNVAT PRDYYFALAH DATA SEQUENCE TVRDHLVGRW IRTQQHYYEK DPKRIYYLSL EFYMGRTLQN TMVNLALENA DATA SEQUENCE CDEATYQLGL DMEELEEIEE DAGLGNGGLG RLAACFLDSM ATLGLAAYGY DATA SEQUENCE GIRYEFGIFN QKICGGWQME EADDWLRYGN PWEKARPEFT LPVHFYGRVE DATA SEQUENCE HTSQGAKWVD TQVVLAMPYD TPVPGYRNNV VNTMRLWSAK APNDFXXXXX DATA SEQUENCE XXXXYIQAVL DRNLAENISR VLYXXXXXXE GKELRLKQEY FVVAATLQDI DATA SEQUENCE IRRFKSSXXX XXXXXXTNFD AFPDKVAIQL NDTHPSLAIP ELMRVLVDLE DATA SEQUENCE RLDWDKAWEV TVKTCAYTNH TVIPEALERW PVHLLETLLP RHLQIIYEIN DATA SEQUENCE QRFLNRVAAA FPGDVDRLRR MSLVEEGAVK RINMAHLCIA GSHAVNGVAR DATA SEQUENCE IHSEILKKTI FKDFYELEPH KFQNKTNGIT PRRWLVLCNP GLAEIIAERI DATA SEQUENCE GEEYISDLDQ LRKLLSYVDD EAFIRDVAKV KQENKLKFAA YLEREYKVHI DATA SEQUENCE NPNSLFDVQV KRIHEYKRQL LNCLHVITLY NRIKKEPNKF VVPRTVMIGG DATA SEQUENCE KAAPGYHMAK MIIKLITAIG DVVNHDPVVG DRLRVIFLEN YRVSLAEKVI DATA SEQUENCE PAADLSEQIS TAGTEASGTG NMXFMLNGAL TIGTMDGANV EMAEEAGEEN DATA SEQUENCE FFIFGMRVED VDRLDQRGYN AQEYYDRIPE LRQIIEQLSS GFFSPKQPDL DATA SEQUENCE FKDIVNMLMH HDRFKVFADY EEYVKCQERV SALYKNPREW TRMVIRNIAT DATA SEQUENCE SGKFSSDRTI AQYAREIWGV EPSRQRLPAP 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.597 176.600 -0.005 0.000 1.382 8 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 8 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 9 K N 0.311 120.708 120.400 -0.006 0.000 2.296 9 K HA 0.008 4.328 4.320 0.001 0.000 0.200 9 K C 1.663 178.259 176.600 -0.006 0.000 1.048 9 K CA 0.410 56.693 56.287 -0.006 0.000 0.966 9 K CB 0.177 32.674 32.500 -0.006 0.000 0.754 9 K HN 0.118 nan 8.250 nan 0.000 0.466 10 R N 1.219 121.715 120.500 -0.006 0.000 2.211 10 R HA -0.085 4.256 4.340 0.001 0.000 0.240 10 R C 1.658 177.954 176.300 -0.006 0.000 1.144 10 R CA 1.104 57.200 56.100 -0.006 0.000 0.992 10 R CB -0.018 30.278 30.300 -0.007 0.000 0.869 10 R HN 0.067 nan 8.270 nan 0.000 0.462 11 K N 0.480 120.877 120.400 -0.006 0.000 2.281 11 K HA -0.168 4.152 4.320 0.001 0.000 0.203 11 K C 1.684 178.281 176.600 -0.005 0.000 1.046 11 K CA 0.963 57.246 56.287 -0.006 0.000 0.938 11 K CB 0.001 32.497 32.500 -0.006 0.000 0.737 11 K HN 0.418 nan 8.250 nan 0.000 0.458 12 Q N 0.528 120.325 119.800 -0.005 0.000 2.170 12 Q HA -0.029 4.311 4.340 0.001 0.000 0.203 12 Q C 0.929 176.927 176.000 -0.004 0.000 0.976 12 Q CA 0.650 56.450 55.803 -0.005 0.000 0.858 12 Q CB -0.176 28.559 28.738 -0.005 0.000 0.907 12 Q HN 0.375 nan 8.270 nan 0.000 0.433 13 I N 1.788 122.356 120.570 -0.004 0.000 2.574 13 I HA -0.038 4.133 4.170 0.001 0.000 0.291 13 I C 0.328 176.444 176.117 -0.000 0.000 1.131 13 I CA 0.187 61.486 61.300 -0.002 0.000 1.352 13 I CB 0.043 38.042 38.000 -0.002 0.000 1.431 13 I HN -0.099 nan 8.210 nan 0.000 0.543 14 S N 3.980 119.681 115.700 0.002 0.000 2.579 14 S HA 0.442 4.912 4.470 0.001 0.000 0.272 14 S C 0.586 175.190 174.600 0.007 0.000 1.141 14 S CA -0.776 57.425 58.200 0.002 0.000 0.843 14 S CB 1.872 65.072 63.200 -0.001 0.000 1.122 14 S HN 0.254 nan 8.310 nan 0.000 0.468 15 V N 4.999 124.918 119.914 0.008 0.000 2.951 15 V HA -0.050 4.070 4.120 0.001 0.000 0.255 15 V C 2.564 178.664 176.094 0.010 0.000 1.088 15 V CA 1.437 63.745 62.300 0.014 0.000 1.109 15 V CB -1.237 30.596 31.823 0.016 0.000 0.724 15 V HN 0.912 nan 8.190 nan 0.000 0.471 16 R N 2.392 122.895 120.500 0.005 0.000 2.227 16 R HA -0.213 4.128 4.340 0.001 0.000 0.259 16 R C 1.347 177.651 176.300 0.007 0.000 1.139 16 R CA 2.120 58.222 56.100 0.003 0.000 0.969 16 R CB -0.915 29.385 30.300 0.001 0.000 0.903 16 R HN 0.539 nan 8.270 nan 0.000 0.452 17 G N 0.338 109.144 108.800 0.009 0.000 4.566 17 G HA2 0.468 4.428 3.960 0.001 0.000 0.276 17 G HA3 0.468 4.428 3.960 0.001 0.000 0.276 17 G C -0.125 174.784 174.900 0.014 0.000 1.248 17 G CA -0.567 44.541 45.100 0.012 0.000 0.858 17 G HN 0.039 nan 8.290 nan 0.000 0.549 18 L N 0.774 122.006 121.223 0.015 0.000 2.959 18 L HA 0.504 4.844 4.340 0.001 0.000 0.259 18 L C 0.868 177.744 176.870 0.009 0.000 1.185 18 L CA -0.354 54.491 54.840 0.009 0.000 0.998 18 L CB -0.008 42.052 42.059 0.002 0.000 1.337 18 L HN 0.438 nan 8.230 nan 0.000 0.555 19 A N -0.187 122.655 122.820 0.037 0.000 2.651 19 A HA 0.690 5.010 4.320 0.001 0.000 0.290 19 A C 0.513 178.161 177.584 0.106 0.000 1.185 19 A CA -0.176 51.913 52.037 0.087 0.000 0.746 19 A CB 0.512 19.585 19.000 0.122 0.000 1.213 19 A HN 0.172 nan 8.150 nan 0.000 0.429 20 G N 1.724 110.589 108.800 0.109 0.000 2.915 20 G HA2 0.394 4.355 3.960 0.001 0.000 0.298 20 G HA3 0.394 4.355 3.960 0.001 0.000 0.298 20 G C 0.838 175.802 174.900 0.108 0.000 0.837 20 G CA 0.478 45.629 45.100 0.086 0.000 1.752 20 G HN 0.892 nan 8.290 nan 0.000 0.526 21 V N 1.964 121.934 119.914 0.093 0.000 2.214 21 V HA -0.073 4.048 4.120 0.001 0.000 0.244 21 V C 1.467 177.514 176.094 -0.078 0.000 1.045 21 V CA 1.476 63.789 62.300 0.022 0.000 0.993 21 V CB -0.092 31.736 31.823 0.008 0.000 0.633 21 V HN 0.542 nan 8.190 nan 0.000 0.449 22 E N 2.514 122.679 120.200 -0.058 0.000 2.053 22 E HA 0.080 4.431 4.350 0.001 0.000 0.297 22 E C -0.571 176.014 176.600 -0.026 0.000 1.173 22 E CA 0.158 56.524 56.400 -0.058 0.000 1.219 22 E CB -0.775 28.896 29.700 -0.048 0.000 1.103 22 E HN 0.402 nan 8.360 nan 0.000 0.476 23 N N 0.980 119.670 118.700 -0.017 0.000 2.572 23 N HA 0.042 4.783 4.740 0.001 0.000 0.287 23 N C 0.482 176.004 175.510 0.020 0.000 1.136 23 N CA -0.280 52.776 53.050 0.010 0.000 0.900 23 N CB 1.616 40.121 38.487 0.029 0.000 1.484 23 N HN -0.118 nan 8.380 nan 0.000 0.526 24 V N 1.941 121.864 119.914 0.015 0.000 2.515 24 V HA -0.122 3.998 4.120 0.001 0.000 0.250 24 V C 1.824 177.934 176.094 0.027 0.000 1.058 24 V CA 1.979 64.290 62.300 0.019 0.000 1.064 24 V CB -0.520 31.313 31.823 0.016 0.000 0.675 24 V HN 0.673 nan 8.190 nan 0.000 0.461 25 T N -0.832 113.739 114.554 0.028 0.000 2.942 25 T HA -0.073 4.277 4.350 0.001 0.000 0.265 25 T C 1.849 176.579 174.700 0.049 0.000 1.062 25 T CA 0.824 62.942 62.100 0.031 0.000 1.139 25 T CB -0.132 68.751 68.868 0.024 0.000 0.883 25 T HN 0.407 nan 8.240 nan 0.000 0.468 26 E N 1.802 122.038 120.200 0.060 0.000 2.051 26 E HA -0.018 4.333 4.350 0.001 0.000 0.192 26 E C 2.260 178.930 176.600 0.118 0.000 0.991 26 E CA 0.819 57.270 56.400 0.086 0.000 0.799 26 E CB -0.563 29.198 29.700 0.101 0.000 0.748 26 E HN 0.477 nan 8.360 nan 0.000 0.449 27 L N 0.854 122.149 121.223 0.120 0.000 2.265 27 L HA -0.143 4.197 4.340 0.001 0.000 0.215 27 L C 2.305 179.267 176.870 0.153 0.000 1.117 27 L CA 0.953 55.886 54.840 0.155 0.000 0.782 27 L CB -0.419 41.703 42.059 0.106 0.000 0.914 27 L HN 0.048 nan 8.230 nan 0.000 0.441 28 K N 0.558 121.019 120.400 0.100 0.000 2.044 28 K HA -0.142 4.179 4.320 0.001 0.000 0.204 28 K C 2.084 178.773 176.600 0.149 0.000 1.049 28 K CA 0.793 57.139 56.287 0.097 0.000 0.945 28 K CB -0.089 32.432 32.500 0.035 0.000 0.724 28 K HN 0.182 nan 8.250 nan 0.000 0.440 29 K N 1.324 121.789 120.400 0.107 0.000 2.103 29 K HA -0.121 4.199 4.320 0.001 0.000 0.207 29 K C 1.616 178.267 176.600 0.085 0.000 1.048 29 K CA 1.378 57.715 56.287 0.084 0.000 0.930 29 K CB 0.082 32.619 32.500 0.061 0.000 0.716 29 K HN 0.118 nan 8.250 nan 0.000 0.444 30 N N -0.222 118.551 118.700 0.122 0.000 2.376 30 N HA -0.100 4.640 4.740 0.001 0.000 0.177 30 N C 1.612 177.230 175.510 0.179 0.000 1.024 30 N CA 0.585 53.693 53.050 0.096 0.000 0.893 30 N CB -0.159 38.414 38.487 0.142 0.000 0.980 30 N HN 0.149 nan 8.380 nan 0.000 0.439 31 F N 3.158 123.172 119.950 0.107 0.000 2.046 31 F HA -0.169 4.359 4.527 0.001 0.000 0.297 31 F C 2.088 177.924 175.800 0.060 0.000 1.123 31 F CA 1.474 59.542 58.000 0.113 0.000 1.199 31 F CB -0.292 38.761 39.000 0.087 0.000 0.972 31 F HN -0.090 nan 8.300 nan 0.000 0.474 32 N N 0.681 119.519 118.700 0.231 0.000 2.060 32 N HA -0.218 4.522 4.740 0.001 0.000 0.195 32 N C 1.992 177.464 175.510 -0.063 0.000 1.028 32 N CA 1.593 54.720 53.050 0.128 0.000 0.861 32 N CB -0.563 38.018 38.487 0.158 0.000 1.029 32 N HN 0.357 nan 8.380 nan 0.000 0.428 33 R N -0.126 120.273 120.500 -0.169 0.000 2.094 33 R HA -0.146 4.195 4.340 0.001 0.000 0.239 33 R C 2.016 178.083 176.300 -0.388 0.000 1.137 33 R CA 1.722 57.614 56.100 -0.346 0.000 0.943 33 R CB -0.462 29.684 30.300 -0.257 0.000 0.850 33 R HN 0.535 nan 8.270 nan 0.000 0.433 34 H N -0.479 118.458 119.070 -0.221 0.000 2.395 34 H HA -0.081 4.476 4.556 0.001 0.000 0.299 34 H C 1.923 177.021 175.328 -0.384 0.000 1.070 34 H CA 1.131 57.010 56.048 -0.280 0.000 1.356 34 H CB 0.057 29.660 29.762 -0.265 0.000 1.401 34 H HN 0.066 nan 8.280 nan 0.000 0.524 35 L N 0.108 121.086 121.223 -0.408 0.000 2.042 35 L HA -0.214 4.126 4.340 0.001 0.000 0.210 35 L C 1.561 178.111 176.870 -0.532 0.000 1.076 35 L CA 1.925 56.434 54.840 -0.551 0.000 0.749 35 L CB -0.183 41.439 42.059 -0.729 0.000 0.893 35 L HN 0.317 nan 8.230 nan 0.000 0.432 36 H N -2.922 115.920 119.070 -0.380 0.000 2.418 36 H HA 0.095 4.652 4.556 0.001 0.000 0.300 36 H C 1.459 176.666 175.328 -0.201 0.000 1.041 36 H CA 1.501 57.318 56.048 -0.385 0.000 1.364 36 H CB 0.036 29.416 29.762 -0.636 0.000 1.439 36 H HN 0.223 nan 8.280 nan 0.000 0.540 37 F N -0.314 119.631 119.950 -0.007 0.000 2.383 37 F HA 0.080 4.607 4.527 0.001 0.000 0.287 37 F C 2.259 178.010 175.800 -0.081 0.000 1.069 37 F CA 0.751 58.721 58.000 -0.049 0.000 1.402 37 F CB -0.734 38.225 39.000 -0.069 0.000 1.116 37 F HN -0.001 nan 8.300 nan 0.000 0.549 38 T N 0.530 115.112 114.554 0.048 0.000 2.809 38 T HA -0.034 4.316 4.350 0.001 0.000 0.260 38 T C 1.916 176.554 174.700 -0.104 0.000 1.039 38 T CA 0.943 63.008 62.100 -0.058 0.000 1.141 38 T CB -0.350 68.412 68.868 -0.177 0.000 0.869 38 T HN -0.039 nan 8.240 nan 0.000 0.437 39 L N 0.886 122.025 121.223 -0.140 0.000 2.341 39 L HA 0.230 4.570 4.340 0.001 0.000 0.214 39 L C 0.825 177.632 176.870 -0.105 0.000 1.115 39 L CA 0.468 55.224 54.840 -0.141 0.000 0.820 39 L CB -0.699 41.238 42.059 -0.203 0.000 0.944 39 L HN 0.072 nan 8.230 nan 0.000 0.452 40 V N -0.002 119.873 119.914 -0.065 0.000 5.820 40 V HA -0.296 3.825 4.120 0.001 0.000 0.300 40 V C 0.452 176.509 176.094 -0.061 0.000 0.585 40 V CA 0.816 63.105 62.300 -0.017 0.000 0.629 40 V CB -2.067 29.759 31.823 0.006 0.000 0.291 40 V HN 0.387 nan 8.190 nan 0.000 0.887 41 K N 0.847 121.172 120.400 -0.124 0.000 2.466 41 K HA 0.787 5.108 4.320 0.001 0.000 0.260 41 K C -0.580 175.909 176.600 -0.184 0.000 1.011 41 K CA -0.370 55.819 56.287 -0.165 0.000 0.871 41 K CB 2.855 35.204 32.500 -0.251 0.000 1.404 41 K HN 0.502 nan 8.250 nan 0.000 0.450 42 D N -1.813 118.505 120.400 -0.136 0.000 2.610 42 D HA 0.187 4.828 4.640 0.001 0.000 0.271 42 D C 0.588 176.859 176.300 -0.049 0.000 1.174 42 D CA -0.763 53.201 54.000 -0.059 0.000 0.949 42 D CB 0.682 41.553 40.800 0.117 0.000 1.430 42 D HN 0.482 nan 8.370 nan 0.000 0.467 43 R N 0.334 120.875 120.500 0.069 0.000 2.249 43 R HA -0.089 4.251 4.340 0.001 0.000 0.230 43 R C 0.557 176.905 176.300 0.080 0.000 1.121 43 R CA 1.606 57.782 56.100 0.127 0.000 0.997 43 R CB -0.809 29.594 30.300 0.171 0.000 0.867 43 R HN 0.405 nan 8.270 nan 0.000 0.465 44 N N 0.003 118.727 118.700 0.040 0.000 2.300 44 N HA -0.047 4.694 4.740 0.001 0.000 0.179 44 N C 0.863 176.370 175.510 -0.004 0.000 1.016 44 N CA 1.188 54.252 53.050 0.023 0.000 0.876 44 N CB 0.433 38.932 38.487 0.020 0.000 0.979 44 N HN 0.078 nan 8.380 nan 0.000 0.432 45 V N -0.646 119.245 119.914 -0.039 0.000 3.604 45 V HA 0.359 4.479 4.120 0.001 0.000 0.277 45 V C 0.663 176.677 176.094 -0.133 0.000 1.399 45 V CA -0.341 61.917 62.300 -0.070 0.000 1.034 45 V CB -0.237 31.544 31.823 -0.070 0.000 0.824 45 V HN 0.132 nan 8.190 nan 0.000 0.439 46 A N 0.872 123.579 122.820 -0.189 0.000 2.565 46 A HA 0.397 4.717 4.320 0.001 0.000 0.237 46 A C 0.414 177.777 177.584 -0.369 0.000 1.053 46 A CA 1.047 52.839 52.037 -0.408 0.000 0.755 46 A CB -0.027 18.577 19.000 -0.661 0.000 0.980 46 A HN 0.304 nan 8.150 nan 0.000 0.506 47 T N 2.979 117.287 114.554 -0.410 0.000 2.950 47 T HA 0.577 4.927 4.350 0.001 0.000 0.288 47 T C -1.601 173.002 174.700 -0.161 0.000 1.035 47 T CA -1.443 60.528 62.100 -0.215 0.000 1.028 47 T CB 1.417 70.172 68.868 -0.188 0.000 1.109 47 T HN 0.477 nan 8.240 nan 0.000 0.514 48 P HA -0.155 nan 4.420 nan 0.000 0.216 48 P C 1.399 178.801 177.300 0.170 0.000 1.150 48 P CA 1.062 64.299 63.100 0.229 0.000 0.843 48 P CB 0.165 31.962 31.700 0.163 0.000 0.787 49 R N 0.350 120.860 120.500 0.016 0.000 2.091 49 R HA -0.150 4.190 4.340 0.001 0.000 0.238 49 R C 1.825 178.095 176.300 -0.050 0.000 1.136 49 R CA 1.889 57.984 56.100 -0.008 0.000 0.959 49 R CB -0.595 29.544 30.300 -0.268 0.000 0.856 49 R HN 0.118 nan 8.270 nan 0.000 0.437 50 D N -0.522 119.736 120.400 -0.238 0.000 2.117 50 D HA -0.187 4.453 4.640 0.001 0.000 0.197 50 D C 1.811 178.023 176.300 -0.146 0.000 0.987 50 D CA 1.335 55.147 54.000 -0.312 0.000 0.829 50 D CB -0.310 40.202 40.800 -0.479 0.000 0.961 50 D HN 0.282 nan 8.370 nan 0.000 0.460 51 Y N 0.478 120.825 120.300 0.078 0.000 2.114 51 Y HA -0.246 4.304 4.550 0.001 0.000 0.284 51 Y C 2.431 178.491 175.900 0.267 0.000 1.143 51 Y CA 0.777 58.996 58.100 0.198 0.000 1.135 51 Y CB -1.325 37.303 38.460 0.279 0.000 0.980 51 Y HN 0.078 nan 8.280 nan 0.000 0.499 52 Y N -0.439 120.077 120.300 0.360 0.000 2.102 52 Y HA -0.357 4.193 4.550 0.001 0.000 0.280 52 Y C 2.130 178.195 175.900 0.275 0.000 1.178 52 Y CA 1.512 59.796 58.100 0.307 0.000 1.146 52 Y CB -1.225 37.401 38.460 0.276 0.000 0.968 52 Y HN 0.103 nan 8.280 nan 0.000 0.504 53 F N 0.241 119.970 119.950 -0.368 0.000 2.069 53 F HA -0.259 4.268 4.527 0.001 0.000 0.298 53 F C 2.704 178.323 175.800 -0.301 0.000 1.113 53 F CA 1.278 59.007 58.000 -0.452 0.000 1.214 53 F CB -0.723 38.172 39.000 -0.174 0.000 0.978 53 F HN 0.225 nan 8.300 nan 0.000 0.474 54 A N -0.426 122.354 122.820 -0.067 0.000 2.024 54 A HA -0.205 4.116 4.320 0.001 0.000 0.220 54 A C 1.940 179.441 177.584 -0.139 0.000 1.164 54 A CA 1.521 53.403 52.037 -0.259 0.000 0.643 54 A CB -0.848 17.736 19.000 -0.693 0.000 0.806 54 A HN 0.407 nan 8.150 nan 0.000 0.451 55 L N -0.740 120.525 121.223 0.070 0.000 2.131 55 L HA 0.135 4.476 4.340 0.001 0.000 0.206 55 L C 2.558 179.397 176.870 -0.052 0.000 1.087 55 L CA 1.846 56.812 54.840 0.211 0.000 0.767 55 L CB -0.806 41.442 42.059 0.315 0.000 0.917 55 L HN 0.296 nan 8.230 nan 0.000 0.441 56 A N -1.028 121.559 122.820 -0.389 0.000 1.873 56 A HA -0.242 4.078 4.320 0.001 0.000 0.215 56 A C 2.102 179.199 177.584 -0.811 0.000 1.186 56 A CA 1.846 53.436 52.037 -0.746 0.000 0.616 56 A CB -1.034 17.130 19.000 -1.394 0.000 0.823 56 A HN 0.637 nan 8.150 nan 0.000 0.442 57 H N -0.527 118.092 119.070 -0.752 0.000 2.457 57 H HA -0.041 4.515 4.556 0.001 0.000 0.294 57 H C 2.282 177.202 175.328 -0.679 0.000 1.064 57 H CA 1.766 57.315 56.048 -0.831 0.000 1.330 57 H CB -0.267 28.783 29.762 -1.186 0.000 1.395 57 H HN 0.458 nan 8.280 nan 0.000 0.541 58 T N -0.145 114.258 114.554 -0.251 0.000 2.622 58 T HA -0.152 4.198 4.350 0.001 0.000 0.266 58 T C 2.258 177.064 174.700 0.178 0.000 1.047 58 T CA 1.651 63.816 62.100 0.108 0.000 1.159 58 T CB -0.513 68.518 68.868 0.272 0.000 0.863 58 T HN 0.123 nan 8.240 nan 0.000 0.422 59 V N 1.345 121.367 119.914 0.181 0.000 2.594 59 V HA -0.111 4.009 4.120 0.001 0.000 0.253 59 V C 2.536 178.795 176.094 0.275 0.000 1.069 59 V CA 1.408 63.898 62.300 0.317 0.000 1.082 59 V CB -0.707 31.300 31.823 0.307 0.000 0.680 59 V HN 0.335 nan 8.190 nan 0.000 0.469 60 R N 0.111 120.661 120.500 0.082 0.000 2.092 60 R HA -0.165 4.175 4.340 0.001 0.000 0.231 60 R C 2.103 178.416 176.300 0.023 0.000 1.119 60 R CA 1.695 57.823 56.100 0.048 0.000 0.970 60 R CB -0.308 29.851 30.300 -0.234 0.000 0.864 60 R HN 0.506 nan 8.270 nan 0.000 0.440 61 D N -0.254 120.122 120.400 -0.039 0.000 2.149 61 D HA -0.192 4.448 4.640 0.001 0.000 0.194 61 D C 1.749 177.979 176.300 -0.116 0.000 1.001 61 D CA 1.663 55.608 54.000 -0.093 0.000 0.849 61 D CB -0.399 40.300 40.800 -0.168 0.000 0.939 61 D HN 0.502 nan 8.370 nan 0.000 0.449 62 H N 0.007 119.127 119.070 0.083 0.000 2.357 62 H HA 0.058 4.614 4.556 0.001 0.000 0.301 62 H C 2.343 177.715 175.328 0.074 0.000 1.082 62 H CA 0.467 56.558 56.048 0.071 0.000 1.342 62 H CB -0.154 29.645 29.762 0.063 0.000 1.389 62 H HN 0.048 nan 8.280 nan 0.000 0.511 63 L N 0.349 121.687 121.223 0.192 0.000 1.989 63 L HA -0.182 4.158 4.340 0.001 0.000 0.211 63 L C 2.571 179.542 176.870 0.167 0.000 1.071 63 L CA 1.519 56.450 54.840 0.152 0.000 0.749 63 L CB -0.329 41.815 42.059 0.142 0.000 0.890 63 L HN 0.360 nan 8.230 nan 0.000 0.431 64 V N -2.196 117.798 119.914 0.134 0.000 2.719 64 V HA 0.007 4.127 4.120 0.001 0.000 0.252 64 V C 2.198 178.432 176.094 0.233 0.000 1.065 64 V CA 1.474 63.888 62.300 0.191 0.000 1.086 64 V CB -0.908 30.951 31.823 0.060 0.000 0.700 64 V HN 0.403 nan 8.190 nan 0.000 0.467 65 G N 0.866 109.748 108.800 0.136 0.000 2.514 65 G HA2 -0.318 3.643 3.960 0.001 0.000 0.217 65 G HA3 -0.318 3.643 3.960 0.001 0.000 0.217 65 G C 1.693 176.651 174.900 0.097 0.000 1.198 65 G CA 1.228 46.388 45.100 0.100 0.000 0.780 65 G HN 0.526 nan 8.290 nan 0.000 0.565 66 R N -1.188 119.372 120.500 0.099 0.000 2.105 66 R HA -0.107 4.234 4.340 0.001 0.000 0.239 66 R C 2.237 178.573 176.300 0.060 0.000 1.135 66 R CA 1.422 57.555 56.100 0.056 0.000 0.967 66 R CB -0.466 29.867 30.300 0.056 0.000 0.861 66 R HN 0.597 nan 8.270 nan 0.000 0.442 67 W N 1.066 122.350 121.300 -0.027 0.000 2.363 67 W HA -0.126 4.535 4.660 0.001 0.000 0.296 67 W C 1.438 177.940 176.519 -0.028 0.000 1.212 67 W CA 1.056 58.383 57.345 -0.030 0.000 1.260 67 W CB 0.070 29.524 29.460 -0.010 0.000 1.131 67 W HN -0.069 nan 8.180 nan 0.000 0.530 68 I N 0.880 121.502 120.570 0.087 0.000 2.179 68 I HA -0.277 3.894 4.170 0.001 0.000 0.242 68 I C 2.441 178.427 176.117 -0.219 0.000 1.088 68 I CA 1.456 62.694 61.300 -0.103 0.000 1.357 68 I CB -1.467 36.574 38.000 0.069 0.000 1.051 68 I HN 0.014 nan 8.210 nan 0.000 0.409 69 R N 0.744 121.161 120.500 -0.139 0.000 2.080 69 R HA -0.121 4.220 4.340 0.001 0.000 0.236 69 R C 2.275 178.430 176.300 -0.241 0.000 1.137 69 R CA 1.821 57.832 56.100 -0.149 0.000 0.943 69 R CB -1.494 28.740 30.300 -0.110 0.000 0.846 69 R HN 0.366 nan 8.270 nan 0.000 0.431 70 T N 1.856 116.209 114.554 -0.336 0.000 2.788 70 T HA -0.114 4.236 4.350 0.001 0.000 0.268 70 T C 1.767 176.023 174.700 -0.741 0.000 1.044 70 T CA 1.100 62.884 62.100 -0.527 0.000 1.139 70 T CB -0.014 68.575 68.868 -0.466 0.000 0.867 70 T HN 0.215 nan 8.240 nan 0.000 0.454 71 Q N 0.975 120.418 119.800 -0.596 0.000 2.137 71 Q HA 0.050 4.390 4.340 0.001 0.000 0.198 71 Q C 2.417 178.357 176.000 -0.099 0.000 0.960 71 Q CA 0.976 56.556 55.803 -0.373 0.000 0.847 71 Q CB -0.310 28.065 28.738 -0.605 0.000 0.915 71 Q HN 0.644 nan 8.270 nan 0.000 0.448 72 Q N -0.150 119.553 119.800 -0.162 0.000 2.050 72 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 72 Q C 2.002 178.011 176.000 0.016 0.000 0.980 72 Q CA 1.632 57.404 55.803 -0.052 0.000 0.840 72 Q CB -0.331 28.361 28.738 -0.076 0.000 0.898 72 Q HN 0.481 nan 8.270 nan 0.000 0.424 73 H N -0.426 118.543 119.070 -0.167 0.000 2.387 73 H HA -0.197 4.360 4.556 0.001 0.000 0.299 73 H C 1.299 176.603 175.328 -0.039 0.000 1.099 73 H CA 1.773 57.730 56.048 -0.151 0.000 1.315 73 H CB -0.028 29.569 29.762 -0.274 0.000 1.380 73 H HN 0.266 nan 8.280 nan 0.000 0.513 74 Y N -0.989 119.255 120.300 -0.093 0.000 2.184 74 Y HA -0.137 4.413 4.550 0.001 0.000 0.290 74 Y C 2.162 177.971 175.900 -0.153 0.000 1.129 74 Y CA 1.033 59.031 58.100 -0.169 0.000 1.144 74 Y CB -1.212 37.183 38.460 -0.109 0.000 0.995 74 Y HN 0.279 nan 8.280 nan 0.000 0.513 75 Y N 0.691 121.017 120.300 0.043 0.000 2.483 75 Y HA -0.171 4.380 4.550 0.001 0.000 0.291 75 Y C 2.148 178.026 175.900 -0.036 0.000 1.143 75 Y CA 1.174 59.275 58.100 0.001 0.000 1.289 75 Y CB -0.018 38.438 38.460 -0.006 0.000 0.983 75 Y HN 0.190 nan 8.280 nan 0.000 0.556 76 E N -0.308 119.926 120.200 0.057 0.000 2.057 76 E HA -0.106 4.245 4.350 0.001 0.000 0.190 76 E C 1.844 178.406 176.600 -0.064 0.000 0.969 76 E CA 0.730 57.125 56.400 -0.008 0.000 0.812 76 E CB -0.172 29.513 29.700 -0.025 0.000 0.777 76 E HN 0.181 nan 8.360 nan 0.000 0.455 77 K N 1.117 121.428 120.400 -0.147 0.000 2.432 77 K HA -0.072 4.248 4.320 0.001 0.000 0.196 77 K C -0.316 176.225 176.600 -0.098 0.000 1.038 77 K CA 0.399 56.599 56.287 -0.145 0.000 0.986 77 K CB -0.154 32.195 32.500 -0.252 0.000 0.782 77 K HN 0.013 nan 8.250 nan 0.000 0.485 78 D N 0.504 120.844 120.400 -0.100 0.000 2.755 78 D HA -0.142 4.499 4.640 0.001 0.000 0.227 78 D C -2.401 173.832 176.300 -0.111 0.000 1.211 78 D CA 0.098 54.027 54.000 -0.118 0.000 0.663 78 D CB 0.021 40.763 40.800 -0.097 0.000 0.983 78 D HN 0.178 nan 8.370 nan 0.000 0.407 79 P HA 0.161 nan 4.420 nan 0.000 0.280 79 P C -0.333 176.880 177.300 -0.144 0.000 1.272 79 P CA -0.745 62.283 63.100 -0.120 0.000 0.819 79 P CB 0.759 32.380 31.700 -0.133 0.000 1.122 80 K N 1.250 121.582 120.400 -0.113 0.000 2.484 80 K HA -0.001 4.319 4.320 0.001 0.000 0.280 80 K C -0.071 176.405 176.600 -0.207 0.000 1.013 80 K CA 0.289 56.500 56.287 -0.126 0.000 1.029 80 K CB 0.174 32.630 32.500 -0.074 0.000 0.902 80 K HN 0.339 nan 8.250 nan 0.000 0.481 81 R N 4.425 124.783 120.500 -0.237 0.000 2.338 81 R HA 0.325 4.665 4.340 0.001 0.000 0.317 81 R C -0.125 175.894 176.300 -0.468 0.000 0.968 81 R CA -0.737 55.150 56.100 -0.355 0.000 0.849 81 R CB 1.110 31.213 30.300 -0.329 0.000 1.128 81 R HN 0.559 nan 8.270 nan 0.000 0.448 82 I N 1.993 122.246 120.570 -0.528 0.000 2.377 82 I HA 0.340 4.510 4.170 0.001 0.000 0.293 82 I C -1.377 174.468 176.117 -0.453 0.000 0.987 82 I CA -0.678 60.284 61.300 -0.563 0.000 1.185 82 I CB 0.952 38.354 38.000 -0.997 0.000 1.341 82 I HN 0.597 nan 8.210 nan 0.000 0.455 83 Y N 6.863 127.127 120.300 -0.060 0.000 2.369 83 Y HA 0.300 4.850 4.550 0.001 0.000 0.337 83 Y C -0.593 175.404 175.900 0.163 0.000 0.961 83 Y CA -0.550 57.624 58.100 0.123 0.000 1.186 83 Y CB 1.088 39.545 38.460 -0.005 0.000 1.139 83 Y HN 0.534 nan 8.280 nan 0.000 0.494 84 Y N 4.869 125.345 120.300 0.293 0.000 2.535 84 Y HA 0.408 4.958 4.550 0.001 0.000 0.349 84 Y C -0.683 175.485 175.900 0.445 0.000 0.992 84 Y CA -0.608 57.684 58.100 0.321 0.000 1.248 84 Y CB 0.161 38.816 38.460 0.325 0.000 1.124 84 Y HN 0.556 nan 8.280 nan 0.000 0.520 85 L N 5.059 126.331 121.223 0.081 0.000 2.305 85 L HA 0.445 4.786 4.340 0.001 0.000 0.281 85 L C -0.037 176.857 176.870 0.041 0.000 1.085 85 L CA -0.179 54.769 54.840 0.181 0.000 0.813 85 L CB 1.100 43.228 42.059 0.115 0.000 1.157 85 L HN 0.555 nan 8.230 nan 0.000 0.436 86 S N 2.585 118.404 115.700 0.199 0.000 2.543 86 S HA 0.415 4.885 4.470 0.001 0.000 0.271 86 S C -0.154 174.544 174.600 0.164 0.000 1.148 86 S CA -0.604 57.605 58.200 0.015 0.000 0.914 86 S CB 1.339 64.304 63.200 -0.392 0.000 1.096 86 S HN 0.486 nan 8.310 nan 0.000 0.471 87 L N 3.147 124.495 121.223 0.208 0.000 2.682 87 L HA 0.486 4.826 4.340 0.001 0.000 0.240 87 L C 0.456 177.472 176.870 0.244 0.000 1.178 87 L CA 0.784 55.795 54.840 0.285 0.000 0.970 87 L CB -0.324 41.893 42.059 0.264 0.000 1.179 87 L HN 0.618 nan 8.230 nan 0.000 0.435 88 E N -0.766 119.478 120.200 0.074 0.000 2.481 88 E HA 0.261 4.611 4.350 0.001 0.000 0.301 88 E C -1.547 174.911 176.600 -0.237 0.000 0.948 88 E CA -0.371 56.031 56.400 0.003 0.000 0.804 88 E CB 1.300 30.948 29.700 -0.087 0.000 1.265 88 E HN -0.121 nan 8.360 nan 0.000 0.406 89 F N 3.169 123.213 119.950 0.158 0.000 2.676 89 F HA 0.223 4.750 4.527 0.001 0.000 0.371 89 F C -0.574 175.313 175.800 0.145 0.000 1.141 89 F CA -0.623 57.464 58.000 0.145 0.000 1.133 89 F CB 0.807 39.887 39.000 0.134 0.000 1.376 89 F HN 0.455 nan 8.300 nan 0.000 0.491 90 Y N 4.068 124.423 120.300 0.091 0.000 2.530 90 Y HA 0.146 4.696 4.550 0.001 0.000 0.340 90 Y C 0.900 176.816 175.900 0.026 0.000 1.247 90 Y CA -0.308 57.803 58.100 0.019 0.000 1.727 90 Y CB 0.417 38.876 38.460 -0.002 0.000 1.613 90 Y HN 0.687 nan 8.280 nan 0.000 0.464 91 M N 1.703 121.380 119.600 0.128 0.000 2.486 91 M HA 0.219 4.700 4.480 0.001 0.000 0.264 91 M C 1.440 177.663 176.300 -0.129 0.000 1.125 91 M CA 1.088 56.387 55.300 -0.001 0.000 1.144 91 M CB -0.010 32.588 32.600 -0.003 0.000 1.353 91 M HN 0.708 nan 8.290 nan 0.000 0.466 92 G N 0.728 109.426 108.800 -0.170 0.000 2.528 92 G HA2 -0.279 3.681 3.960 0.001 0.000 0.262 92 G HA3 -0.279 3.681 3.960 0.001 0.000 0.262 92 G C -0.396 174.406 174.900 -0.163 0.000 1.200 92 G CA -0.206 44.767 45.100 -0.212 0.000 0.951 92 G HN 0.457 nan 8.290 nan 0.000 0.566 93 R N -0.463 119.939 120.500 -0.165 0.000 2.459 93 R HA 0.592 4.932 4.340 0.001 0.000 0.281 93 R C 0.957 177.133 176.300 -0.206 0.000 1.050 93 R CA 0.242 56.270 56.100 -0.120 0.000 1.055 93 R CB 0.992 31.241 30.300 -0.085 0.000 1.045 93 R HN 0.489 nan 8.270 nan 0.000 0.495 94 T N 1.696 116.083 114.554 -0.277 0.000 2.990 94 T HA 0.078 4.428 4.350 0.001 0.000 0.250 94 T C 1.505 175.879 174.700 -0.545 0.000 1.041 94 T CA -0.141 61.592 62.100 -0.612 0.000 1.010 94 T CB 0.223 68.325 68.868 -1.277 0.000 1.003 94 T HN 0.361 nan 8.240 nan 0.000 0.499 95 L N 1.047 122.201 121.223 -0.116 0.000 1.961 95 L HA -0.092 4.248 4.340 0.001 0.000 0.209 95 L C 2.657 179.538 176.870 0.019 0.000 1.075 95 L CA 1.692 56.618 54.840 0.143 0.000 0.749 95 L CB -0.441 41.858 42.059 0.400 0.000 0.890 95 L HN 0.252 nan 8.230 nan 0.000 0.433 96 Q N -0.313 119.486 119.800 -0.001 0.000 2.045 96 Q HA -0.303 4.037 4.340 0.001 0.000 0.206 96 Q C 2.023 177.975 176.000 -0.080 0.000 0.991 96 Q CA 2.171 57.954 55.803 -0.034 0.000 0.851 96 Q CB -0.309 28.395 28.738 -0.056 0.000 0.911 96 Q HN 0.559 nan 8.270 nan 0.000 0.418 97 N N -0.637 117.977 118.700 -0.143 0.000 2.061 97 N HA -0.153 4.587 4.740 0.001 0.000 0.193 97 N C 1.524 176.949 175.510 -0.141 0.000 1.030 97 N CA 1.898 54.850 53.050 -0.163 0.000 0.856 97 N CB 0.060 38.412 38.487 -0.226 0.000 1.023 97 N HN 0.197 nan 8.380 nan 0.000 0.424 98 T N 1.243 115.682 114.554 -0.193 0.000 2.867 98 T HA -0.045 4.305 4.350 0.001 0.000 0.268 98 T C 2.037 176.700 174.700 -0.062 0.000 1.057 98 T CA 0.969 62.974 62.100 -0.158 0.000 1.136 98 T CB -0.019 68.700 68.868 -0.250 0.000 0.874 98 T HN 0.285 nan 8.240 nan 0.000 0.466 99 M N 0.970 120.550 119.600 -0.035 0.000 2.132 99 M HA -0.033 4.448 4.480 0.001 0.000 0.263 99 M C 2.610 178.888 176.300 -0.035 0.000 1.065 99 M CA 1.266 56.557 55.300 -0.015 0.000 1.122 99 M CB -0.490 32.115 32.600 0.009 0.000 1.365 99 M HN 0.276 nan 8.290 nan 0.000 0.411 100 V N -2.175 117.723 119.914 -0.027 0.000 3.235 100 V HA 0.022 4.143 4.120 0.001 0.000 0.259 100 V C 1.178 177.281 176.094 0.016 0.000 1.133 100 V CA 1.398 63.698 62.300 0.001 0.000 1.128 100 V CB -0.670 31.171 31.823 0.029 0.000 0.757 100 V HN 0.333 nan 8.190 nan 0.000 0.469 101 N N 0.235 118.929 118.700 -0.009 0.000 2.446 101 N HA 0.156 4.896 4.740 0.001 0.000 0.179 101 N C 1.025 176.439 175.510 -0.160 0.000 1.054 101 N CA 0.775 53.800 53.050 -0.040 0.000 0.905 101 N CB 0.240 38.732 38.487 0.009 0.000 0.973 101 N HN 0.416 nan 8.380 nan 0.000 0.448 102 L N -0.368 120.782 121.223 -0.121 0.000 2.766 102 L HA 0.450 4.791 4.340 0.001 0.000 0.242 102 L C 0.326 177.113 176.870 -0.137 0.000 1.136 102 L CA -0.262 54.508 54.840 -0.118 0.000 0.933 102 L CB -0.634 41.388 42.059 -0.062 0.000 1.241 102 L HN 0.052 nan 8.230 nan 0.000 0.522 103 A N -0.134 122.600 122.820 -0.143 0.000 2.734 103 A HA -0.198 4.123 4.320 0.001 0.000 0.296 103 A C 0.775 178.300 177.584 -0.097 0.000 1.474 103 A CA 0.907 52.870 52.037 -0.123 0.000 0.735 103 A CB -1.918 16.994 19.000 -0.146 0.000 1.062 103 A HN 0.202 nan 8.150 nan 0.000 0.463 104 L N -0.811 120.363 121.223 -0.082 0.000 2.966 104 L HA 0.261 4.601 4.340 0.001 0.000 0.262 104 L C 1.824 178.667 176.870 -0.045 0.000 1.165 104 L CA 1.198 55.989 54.840 -0.081 0.000 0.978 104 L CB -0.081 41.916 42.059 -0.105 0.000 1.337 104 L HN 0.630 nan 8.230 nan 0.000 0.563 105 E N 0.371 120.551 120.200 -0.033 0.000 2.023 105 E HA -0.252 4.099 4.350 0.001 0.000 0.196 105 E C 1.398 177.988 176.600 -0.017 0.000 1.003 105 E CA 1.815 58.206 56.400 -0.015 0.000 0.809 105 E CB 0.242 29.934 29.700 -0.013 0.000 0.755 105 E HN 0.477 nan 8.360 nan 0.000 0.449 106 N N 0.298 118.982 118.700 -0.026 0.000 2.104 106 N HA -0.167 4.574 4.740 0.001 0.000 0.190 106 N C 1.575 177.070 175.510 -0.024 0.000 1.024 106 N CA 1.439 54.471 53.050 -0.029 0.000 0.853 106 N CB -0.293 38.174 38.487 -0.033 0.000 1.008 106 N HN 0.233 nan 8.380 nan 0.000 0.424 107 A N 0.210 123.014 122.820 -0.026 0.000 1.865 107 A HA -0.190 4.131 4.320 0.001 0.000 0.217 107 A C 2.413 179.992 177.584 -0.007 0.000 1.191 107 A CA 1.495 53.520 52.037 -0.021 0.000 0.623 107 A CB -1.177 17.799 19.000 -0.040 0.000 0.826 107 A HN 0.491 nan 8.150 nan 0.000 0.444 108 C N -0.794 118.504 119.300 -0.004 0.000 2.422 108 C HA -0.080 4.380 4.460 0.001 0.000 0.279 108 C C 2.442 177.437 174.990 0.008 0.000 1.305 108 C CA 1.200 60.225 59.018 0.012 0.000 1.757 108 C CB -1.277 26.484 27.740 0.035 0.000 1.962 108 C HN 0.744 nan 8.230 nan 0.000 0.499 109 D N 0.555 120.958 120.400 0.005 0.000 2.144 109 D HA -0.116 4.524 4.640 0.001 0.000 0.199 109 D C 2.284 178.601 176.300 0.029 0.000 0.984 109 D CA 1.239 55.241 54.000 0.004 0.000 0.834 109 D CB -0.162 40.624 40.800 -0.022 0.000 0.955 109 D HN 0.471 nan 8.370 nan 0.000 0.465 110 E N -0.258 119.962 120.200 0.033 0.000 2.076 110 E HA -0.028 4.323 4.350 0.001 0.000 0.190 110 E C 2.099 178.770 176.600 0.119 0.000 0.979 110 E CA 0.745 57.212 56.400 0.112 0.000 0.807 110 E CB -0.168 29.570 29.700 0.063 0.000 0.761 110 E HN 0.309 nan 8.360 nan 0.000 0.454 111 A N 1.486 124.321 122.820 0.025 0.000 1.902 111 A HA -0.186 4.134 4.320 0.001 0.000 0.217 111 A C 2.474 179.978 177.584 -0.134 0.000 1.181 111 A CA 2.445 54.457 52.037 -0.042 0.000 0.623 111 A CB -0.936 18.040 19.000 -0.040 0.000 0.818 111 A HN 0.389 nan 8.150 nan 0.000 0.443 112 T N -3.073 111.410 114.554 -0.119 0.000 2.812 112 T HA -0.194 4.156 4.350 0.001 0.000 0.264 112 T C 1.874 176.502 174.700 -0.120 0.000 1.042 112 T CA 1.399 63.379 62.100 -0.201 0.000 1.140 112 T CB -0.711 68.085 68.868 -0.120 0.000 0.870 112 T HN 0.591 nan 8.240 nan 0.000 0.445 113 Y N 1.968 122.190 120.300 -0.130 0.000 2.333 113 Y HA 0.004 4.555 4.550 0.001 0.000 0.290 113 Y C 2.313 178.154 175.900 -0.099 0.000 1.144 113 Y CA 1.099 59.139 58.100 -0.099 0.000 1.228 113 Y CB -0.444 37.977 38.460 -0.066 0.000 0.985 113 Y HN 0.220 nan 8.280 nan 0.000 0.542 114 Q N 0.012 119.598 119.800 -0.356 0.000 2.432 114 Q HA 0.099 4.439 4.340 0.001 0.000 0.205 114 Q C 1.305 177.122 176.000 -0.306 0.000 0.945 114 Q CA 0.693 56.238 55.803 -0.429 0.000 0.924 114 Q CB 0.176 28.789 28.738 -0.208 0.000 1.016 114 Q HN 0.558 nan 8.270 nan 0.000 0.503 115 L N -1.553 119.503 121.223 -0.278 0.000 2.667 115 L HA 0.327 4.667 4.340 0.001 0.000 0.232 115 L C 0.910 177.634 176.870 -0.244 0.000 1.138 115 L CA 0.225 54.918 54.840 -0.246 0.000 0.921 115 L CB 0.554 42.429 42.059 -0.307 0.000 1.180 115 L HN 0.252 nan 8.230 nan 0.000 0.487 116 G N 0.740 109.393 108.800 -0.245 0.000 2.141 116 G HA2 -0.231 3.729 3.960 0.001 0.000 0.231 116 G HA3 -0.231 3.729 3.960 0.001 0.000 0.231 116 G C -0.174 174.625 174.900 -0.169 0.000 0.984 116 G CA -0.340 44.646 45.100 -0.190 0.000 0.660 116 G HN 0.188 nan 8.290 nan 0.000 0.525 117 L N 0.881 121.992 121.223 -0.186 0.000 2.329 117 L HA 0.547 4.888 4.340 0.001 0.000 0.279 117 L C -0.444 176.395 176.870 -0.051 0.000 1.014 117 L CA -1.000 53.746 54.840 -0.156 0.000 0.814 117 L CB 1.852 43.755 42.059 -0.259 0.000 1.257 117 L HN 0.106 nan 8.230 nan 0.000 0.424 118 D N 3.344 123.740 120.400 -0.008 0.000 2.347 118 D HA 0.121 4.761 4.640 0.001 0.000 0.235 118 D C 0.699 177.024 176.300 0.041 0.000 1.149 118 D CA -0.220 53.798 54.000 0.030 0.000 0.850 118 D CB 1.519 42.340 40.800 0.035 0.000 1.061 118 D HN 0.561 nan 8.370 nan 0.000 0.487 119 M N 3.446 123.071 119.600 0.043 0.000 2.213 119 M HA -0.149 4.331 4.480 0.001 0.000 0.263 119 M C 1.479 177.822 176.300 0.071 0.000 1.062 119 M CA 1.403 56.740 55.300 0.062 0.000 1.105 119 M CB 0.215 32.846 32.600 0.051 0.000 1.385 119 M HN 0.430 nan 8.290 nan 0.000 0.417 120 E N -0.025 120.204 120.200 0.050 0.000 2.085 120 E HA -0.247 4.103 4.350 0.001 0.000 0.194 120 E C 1.815 178.447 176.600 0.053 0.000 0.994 120 E CA 1.495 57.921 56.400 0.044 0.000 0.801 120 E CB -0.223 29.496 29.700 0.030 0.000 0.743 120 E HN 0.659 nan 8.360 nan 0.000 0.453 121 E N 0.531 120.767 120.200 0.059 0.000 2.118 121 E HA -0.165 4.186 4.350 0.001 0.000 0.195 121 E C 2.210 178.863 176.600 0.089 0.000 0.992 121 E CA 0.722 57.163 56.400 0.067 0.000 0.804 121 E CB 0.004 29.744 29.700 0.068 0.000 0.741 121 E HN 0.243 nan 8.360 nan 0.000 0.458 122 L N 0.500 121.800 121.223 0.128 0.000 2.109 122 L HA -0.138 4.203 4.340 0.001 0.000 0.207 122 L C 2.200 179.169 176.870 0.164 0.000 1.086 122 L CA 0.997 55.963 54.840 0.211 0.000 0.760 122 L CB -0.353 41.884 42.059 0.297 0.000 0.910 122 L HN 0.118 nan 8.230 nan 0.000 0.437 123 E N -0.034 120.241 120.200 0.125 0.000 2.153 123 E HA -0.197 4.153 4.350 0.001 0.000 0.194 123 E C 1.969 178.553 176.600 -0.025 0.000 0.988 123 E CA 0.793 57.236 56.400 0.072 0.000 0.811 123 E CB 0.090 29.827 29.700 0.062 0.000 0.746 123 E HN 0.369 nan 8.360 nan 0.000 0.466 124 E N 0.392 120.587 120.200 -0.009 0.000 2.347 124 E HA -0.115 4.235 4.350 0.001 0.000 0.196 124 E C 1.952 178.524 176.600 -0.046 0.000 1.008 124 E CA 0.421 56.812 56.400 -0.016 0.000 0.852 124 E CB 0.112 29.824 29.700 0.021 0.000 0.783 124 E HN 0.312 nan 8.360 nan 0.000 0.505 125 I N 0.941 121.451 120.570 -0.101 0.000 2.315 125 I HA -0.131 4.039 4.170 0.001 0.000 0.248 125 I C 1.375 177.343 176.117 -0.249 0.000 1.117 125 I CA 0.439 61.653 61.300 -0.144 0.000 1.404 125 I CB -1.055 36.871 38.000 -0.123 0.000 1.071 125 I HN 0.104 nan 8.210 nan 0.000 0.419 126 E N 3.081 123.007 120.200 -0.458 0.000 2.480 126 E HA -0.082 4.268 4.350 0.001 0.000 0.258 126 E C -0.141 176.440 176.600 -0.033 0.000 0.984 126 E CA -0.097 56.088 56.400 -0.358 0.000 0.930 126 E CB 0.551 30.093 29.700 -0.265 0.000 0.936 126 E HN 0.134 nan 8.360 nan 0.000 0.466 127 E N 3.835 124.104 120.200 0.114 0.000 2.360 127 E HA 0.036 4.386 4.350 0.001 0.000 0.269 127 E C -0.761 175.928 176.600 0.150 0.000 1.022 127 E CA -0.116 56.400 56.400 0.193 0.000 0.887 127 E CB 0.577 30.495 29.700 0.364 0.000 0.990 127 E HN 0.477 nan 8.360 nan 0.000 0.426 128 D N 1.126 121.556 120.400 0.049 0.000 2.493 128 D HA 0.113 4.753 4.640 0.001 0.000 0.240 128 D C -0.116 176.067 176.300 -0.196 0.000 1.142 128 D CA 0.242 54.205 54.000 -0.061 0.000 0.872 128 D CB 0.459 41.208 40.800 -0.085 0.000 1.173 128 D HN 0.413 nan 8.370 nan 0.000 0.467 129 A N 2.847 125.476 122.820 -0.319 0.000 2.537 129 A HA 0.353 4.673 4.320 0.001 0.000 0.260 129 A C 1.217 178.170 177.584 -1.051 0.000 1.082 129 A CA 0.095 51.590 52.037 -0.904 0.000 0.765 129 A CB -0.130 18.576 19.000 -0.490 0.000 1.019 129 A HN 0.603 nan 8.150 nan 0.000 0.507 130 G N 1.853 109.444 108.800 -2.015 0.000 3.102 130 G HA2 0.399 4.359 3.960 0.001 0.000 0.264 130 G HA3 0.399 4.359 3.960 0.001 0.000 0.264 130 G C 0.159 174.785 174.900 -0.457 0.000 0.788 130 G CA -0.062 44.427 45.100 -1.018 0.000 2.029 130 G HN 0.582 nan 8.290 nan 0.000 0.608 131 L N 0.346 121.419 121.223 -0.251 0.000 3.327 131 L HA 0.420 4.761 4.340 0.001 0.000 0.299 131 L C 1.121 178.017 176.870 0.044 0.000 1.201 131 L CA 0.386 55.255 54.840 0.048 0.000 1.059 131 L CB 0.417 42.519 42.059 0.071 0.000 1.488 131 L HN 0.431 nan 8.230 nan 0.000 0.609 132 G N -1.316 107.390 108.800 -0.155 0.000 2.788 132 G HA2 0.402 4.363 3.960 0.001 0.000 0.293 132 G HA3 0.402 4.363 3.960 0.001 0.000 0.293 132 G C -0.275 174.021 174.900 -1.007 0.000 1.392 132 G CA 0.080 44.937 45.100 -0.405 0.000 0.810 132 G HN -0.116 nan 8.290 nan 0.000 0.508 133 N N -2.718 115.319 118.700 -1.105 0.000 1.983 133 N HA 0.318 5.058 4.740 0.001 0.000 0.234 133 N C 0.432 175.625 175.510 -0.529 0.000 1.339 133 N CA 1.076 53.598 53.050 -0.880 0.000 0.826 133 N CB 1.233 39.477 38.487 -0.406 0.000 1.156 133 N HN 1.037 nan 8.380 nan 0.000 0.468 134 G N -1.752 106.873 108.800 -0.292 0.000 2.570 134 G HA2 0.385 4.345 3.960 0.001 0.000 0.310 134 G HA3 0.385 4.345 3.960 0.001 0.000 0.310 134 G C 0.572 175.537 174.900 0.109 0.000 1.266 134 G CA -0.081 45.044 45.100 0.042 0.000 0.825 134 G HN 0.092 nan 8.290 nan 0.000 0.483 135 G N -0.242 108.608 108.800 0.082 0.000 2.505 135 G HA2 -0.195 3.765 3.960 0.001 0.000 0.220 135 G HA3 -0.195 3.765 3.960 0.001 0.000 0.220 135 G C 1.721 176.623 174.900 0.003 0.000 1.145 135 G CA 1.403 46.535 45.100 0.054 0.000 0.761 135 G HN 0.529 nan 8.290 nan 0.000 0.571 136 L N 1.110 122.299 121.223 -0.058 0.000 1.971 136 L HA -0.092 4.248 4.340 0.001 0.000 0.215 136 L C 2.789 179.582 176.870 -0.128 0.000 1.072 136 L CA 2.715 57.453 54.840 -0.170 0.000 0.758 136 L CB -1.296 40.652 42.059 -0.184 0.000 0.889 136 L HN 0.318 nan 8.230 nan 0.000 0.433 137 G N -1.117 107.636 108.800 -0.078 0.000 2.421 137 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 137 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 137 G C 1.674 176.611 174.900 0.062 0.000 1.143 137 G CA 0.550 45.614 45.100 -0.061 0.000 0.784 137 G HN 0.277 nan 8.290 nan 0.000 0.541 138 R N 0.094 120.683 120.500 0.147 0.000 2.092 138 R HA 0.106 4.447 4.340 0.001 0.000 0.231 138 R C 2.355 178.686 176.300 0.052 0.000 1.119 138 R CA 0.850 57.049 56.100 0.165 0.000 0.970 138 R CB -1.000 29.413 30.300 0.188 0.000 0.864 138 R HN 0.333 nan 8.270 nan 0.000 0.440 139 L N 0.183 121.367 121.223 -0.064 0.000 2.042 139 L HA -0.080 4.261 4.340 0.001 0.000 0.210 139 L C 2.107 178.694 176.870 -0.473 0.000 1.076 139 L CA 2.215 56.880 54.840 -0.291 0.000 0.749 139 L CB -0.829 41.024 42.059 -0.344 0.000 0.893 139 L HN 0.264 nan 8.230 nan 0.000 0.432 140 A N -0.673 121.985 122.820 -0.270 0.000 1.908 140 A HA -0.192 4.129 4.320 0.001 0.000 0.218 140 A C 2.438 180.058 177.584 0.060 0.000 1.181 140 A CA 2.024 53.960 52.037 -0.168 0.000 0.627 140 A CB -1.187 17.692 19.000 -0.203 0.000 0.818 140 A HN 0.573 nan 8.150 nan 0.000 0.445 141 A N -1.006 121.901 122.820 0.146 0.000 1.873 141 A HA -0.164 4.157 4.320 0.001 0.000 0.215 141 A C 2.325 180.001 177.584 0.154 0.000 1.186 141 A CA 1.661 53.820 52.037 0.202 0.000 0.616 141 A CB -1.335 17.773 19.000 0.179 0.000 0.823 141 A HN 0.614 nan 8.150 nan 0.000 0.442 142 C N -1.461 117.940 119.300 0.168 0.000 2.413 142 C HA -0.094 4.367 4.460 0.001 0.000 0.277 142 C C 2.423 177.596 174.990 0.305 0.000 1.265 142 C CA 0.699 59.857 59.018 0.234 0.000 1.752 142 C CB -1.693 26.224 27.740 0.294 0.000 1.998 142 C HN 0.597 nan 8.230 nan 0.000 0.489 143 F N 1.027 120.961 119.950 -0.028 0.000 2.171 143 F HA -0.058 4.470 4.527 0.001 0.000 0.300 143 F C 2.236 177.977 175.800 -0.098 0.000 1.090 143 F CA 0.967 58.892 58.000 -0.124 0.000 1.293 143 F CB -1.229 37.544 39.000 -0.378 0.000 1.013 143 F HN 0.197 nan 8.300 nan 0.000 0.486 144 L N -0.501 120.803 121.223 0.135 0.000 2.027 144 L HA -0.218 4.123 4.340 0.001 0.000 0.206 144 L C 2.449 179.347 176.870 0.048 0.000 1.074 144 L CA 1.771 56.654 54.840 0.072 0.000 0.745 144 L CB -0.689 41.421 42.059 0.085 0.000 0.898 144 L HN 0.117 nan 8.230 nan 0.000 0.433 145 D N -0.166 120.269 120.400 0.060 0.000 2.084 145 D HA -0.173 4.468 4.640 0.001 0.000 0.194 145 D C 2.117 178.445 176.300 0.046 0.000 0.990 145 D CA 1.697 55.720 54.000 0.038 0.000 0.826 145 D CB 0.246 41.064 40.800 0.029 0.000 0.971 145 D HN 0.138 nan 8.370 nan 0.000 0.453 146 S N -0.204 115.534 115.700 0.063 0.000 2.368 146 S HA -0.105 4.366 4.470 0.001 0.000 0.225 146 S C 2.163 176.779 174.600 0.027 0.000 1.030 146 S CA 1.004 59.230 58.200 0.043 0.000 0.999 146 S CB -0.167 63.054 63.200 0.035 0.000 0.844 146 S HN 0.360 nan 8.310 nan 0.000 0.459 147 M N 0.820 120.433 119.600 0.021 0.000 2.117 147 M HA -0.114 4.366 4.480 0.001 0.000 0.262 147 M C 2.462 178.776 176.300 0.023 0.000 1.065 147 M CA 1.541 56.853 55.300 0.020 0.000 1.114 147 M CB -0.561 32.037 32.600 -0.002 0.000 1.361 147 M HN 0.394 nan 8.290 nan 0.000 0.408 148 A N -0.325 122.508 122.820 0.023 0.000 1.968 148 A HA -0.091 4.230 4.320 0.001 0.000 0.217 148 A C 2.150 179.762 177.584 0.046 0.000 1.169 148 A CA 1.797 53.854 52.037 0.034 0.000 0.638 148 A CB -0.933 18.084 19.000 0.028 0.000 0.812 148 A HN 0.432 nan 8.150 nan 0.000 0.446 149 T N 0.683 115.267 114.554 0.049 0.000 2.746 149 T HA -0.066 4.285 4.350 0.001 0.000 0.267 149 T C 1.348 176.080 174.700 0.054 0.000 1.039 149 T CA 1.368 63.504 62.100 0.060 0.000 1.142 149 T CB -0.353 68.559 68.868 0.072 0.000 0.866 149 T HN 0.385 nan 8.240 nan 0.000 0.444 150 L N 0.914 122.168 121.223 0.050 0.000 2.645 150 L HA 0.296 4.637 4.340 0.001 0.000 0.234 150 L C 1.693 178.601 176.870 0.062 0.000 1.165 150 L CA -0.082 54.789 54.840 0.052 0.000 0.944 150 L CB -0.861 41.228 42.059 0.050 0.000 1.149 150 L HN 0.395 nan 8.230 nan 0.000 0.446 151 G N 0.996 109.838 108.800 0.070 0.000 2.321 151 G HA2 -0.300 3.661 3.960 0.001 0.000 0.287 151 G HA3 -0.300 3.661 3.960 0.001 0.000 0.287 151 G C 0.278 175.246 174.900 0.114 0.000 1.018 151 G CA 0.129 45.295 45.100 0.110 0.000 0.855 151 G HN 0.339 nan 8.290 nan 0.000 0.507 152 L N -0.250 120.999 121.223 0.044 0.000 2.417 152 L HA 0.504 4.845 4.340 0.001 0.000 0.268 152 L C 1.259 177.996 176.870 -0.222 0.000 1.158 152 L CA -0.168 54.641 54.840 -0.052 0.000 0.819 152 L CB 1.061 43.105 42.059 -0.025 0.000 1.112 152 L HN 0.273 nan 8.230 nan 0.000 0.458 153 A N 2.961 125.480 122.820 -0.502 0.000 2.666 153 A HA 0.577 4.897 4.320 0.001 0.000 0.301 153 A C 0.157 177.381 177.584 -0.601 0.000 1.470 153 A CA -0.113 51.339 52.037 -0.976 0.000 1.159 153 A CB -0.521 17.797 19.000 -1.137 0.000 1.116 153 A HN 0.726 nan 8.150 nan 0.000 0.548 154 A N 2.441 124.931 122.820 -0.551 0.000 2.386 154 A HA 0.796 5.117 4.320 0.001 0.000 0.311 154 A C -1.267 176.026 177.584 -0.486 0.000 1.068 154 A CA -0.457 51.343 52.037 -0.395 0.000 0.743 154 A CB 0.954 19.812 19.000 -0.236 0.000 1.258 154 A HN 0.651 nan 8.150 nan 0.000 0.429 155 Y N 0.269 120.500 120.300 -0.115 0.000 2.425 155 Y HA 0.574 5.124 4.550 0.001 0.000 0.344 155 Y C 0.817 176.837 175.900 0.200 0.000 0.969 155 Y CA -0.579 57.553 58.100 0.053 0.000 1.052 155 Y CB 2.422 41.028 38.460 0.243 0.000 1.215 155 Y HN 0.845 nan 8.280 nan 0.000 0.451 156 G N 1.893 110.803 108.800 0.184 0.000 2.332 156 G HA2 0.470 4.431 3.960 0.001 0.000 0.310 156 G HA3 0.470 4.431 3.960 0.001 0.000 0.310 156 G C -1.845 173.062 174.900 0.011 0.000 1.123 156 G CA -0.310 44.892 45.100 0.170 0.000 0.873 156 G HN 0.530 nan 8.290 nan 0.000 0.460 157 Y N 1.100 121.592 120.300 0.320 0.000 2.346 157 Y HA 0.603 5.154 4.550 0.001 0.000 0.332 157 Y C 0.696 176.879 175.900 0.471 0.000 0.985 157 Y CA 0.079 58.347 58.100 0.280 0.000 1.112 157 Y CB 2.598 41.254 38.460 0.327 0.000 1.170 157 Y HN 0.892 nan 8.280 nan 0.000 0.447 158 G N 2.492 111.584 108.800 0.488 0.000 2.846 158 G HA2 0.568 4.528 3.960 0.001 0.000 0.299 158 G HA3 0.568 4.528 3.960 0.001 0.000 0.299 158 G C -1.630 173.494 174.900 0.374 0.000 1.242 158 G CA -0.853 44.588 45.100 0.569 0.000 0.800 158 G HN 0.405 nan 8.290 nan 0.000 0.538 159 I N 0.682 121.401 120.570 0.248 0.000 2.412 159 I HA 0.416 4.586 4.170 0.001 0.000 0.296 159 I C 0.285 176.261 176.117 -0.234 0.000 0.987 159 I CA -0.691 60.581 61.300 -0.046 0.000 1.180 159 I CB 1.988 39.719 38.000 -0.448 0.000 1.340 159 I HN 0.341 nan 8.210 nan 0.000 0.455 160 R N 6.115 126.544 120.500 -0.118 0.000 2.308 160 R HA 0.248 4.588 4.340 0.001 0.000 0.325 160 R C -1.401 174.844 176.300 -0.091 0.000 1.161 160 R CA -0.402 55.669 56.100 -0.048 0.000 1.022 160 R CB 0.085 30.345 30.300 -0.067 0.000 1.091 160 R HN 0.402 nan 8.270 nan 0.000 0.497 161 Y N 2.145 122.572 120.300 0.210 0.000 2.335 161 Y HA 0.052 4.603 4.550 0.001 0.000 0.331 161 Y C 1.159 177.221 175.900 0.269 0.000 1.094 161 Y CA -0.168 58.047 58.100 0.190 0.000 1.253 161 Y CB 1.250 39.797 38.460 0.144 0.000 1.203 161 Y HN 0.575 nan 8.280 nan 0.000 0.508 162 E N 1.779 122.103 120.200 0.208 0.000 2.318 162 E HA -0.006 4.344 4.350 0.001 0.000 0.193 162 E C 0.062 176.422 176.600 -0.400 0.000 0.998 162 E CA 0.739 57.014 56.400 -0.209 0.000 0.859 162 E CB 0.141 29.561 29.700 -0.467 0.000 0.812 162 E HN 0.635 nan 8.360 nan 0.000 0.492 163 F N -0.136 119.999 119.950 0.308 0.000 2.735 163 F HA 0.320 4.847 4.527 0.001 0.000 0.308 163 F C 1.463 177.405 175.800 0.236 0.000 1.112 163 F CA -0.048 58.111 58.000 0.265 0.000 1.235 163 F CB 0.592 39.685 39.000 0.157 0.000 1.027 163 F HN -0.011 nan 8.300 nan 0.000 0.528 164 G N 1.721 110.733 108.800 0.352 0.000 2.698 164 G HA2 -0.334 3.627 3.960 0.001 0.000 0.346 164 G HA3 -0.334 3.627 3.960 0.001 0.000 0.346 164 G C -0.206 174.681 174.900 -0.021 0.000 1.287 164 G CA 0.581 45.731 45.100 0.083 0.000 0.990 164 G HN 0.166 nan 8.290 nan 0.000 0.545 165 I N 0.955 121.488 120.570 -0.061 0.000 2.619 165 I HA 0.492 4.662 4.170 0.001 0.000 0.292 165 I C 0.576 176.656 176.117 -0.063 0.000 1.100 165 I CA -1.426 59.848 61.300 -0.044 0.000 1.043 165 I CB 1.113 39.008 38.000 -0.175 0.000 1.239 165 I HN 0.749 nan 8.210 nan 0.000 0.420 166 F N 6.198 126.198 119.950 0.084 0.000 2.422 166 F HA -0.097 4.430 4.527 0.001 0.000 0.364 166 F C 0.407 176.277 175.800 0.117 0.000 0.954 166 F CA 0.324 58.388 58.000 0.107 0.000 1.192 166 F CB -0.455 38.605 39.000 0.101 0.000 0.895 166 F HN 0.434 nan 8.300 nan 0.000 0.589 167 N N 3.086 121.904 118.700 0.196 0.000 2.520 167 N HA 0.031 4.771 4.740 0.001 0.000 0.273 167 N C -0.496 175.237 175.510 0.370 0.000 1.155 167 N CA -0.342 52.810 53.050 0.170 0.000 0.967 167 N CB 1.047 39.640 38.487 0.176 0.000 1.092 167 N HN 0.762 nan 8.380 nan 0.000 0.457 168 Q N 1.869 121.866 119.800 0.328 0.000 2.261 168 Q HA 0.227 4.567 4.340 0.001 0.000 0.252 168 Q C -1.075 175.106 176.000 0.301 0.000 0.915 168 Q CA -0.204 55.862 55.803 0.438 0.000 0.915 168 Q CB 0.798 29.804 28.738 0.447 0.000 1.204 168 Q HN 0.303 nan 8.270 nan 0.000 0.421 169 K N 3.558 124.113 120.400 0.258 0.000 2.397 169 K HA 0.445 4.765 4.320 0.001 0.000 0.253 169 K C -1.201 175.498 176.600 0.165 0.000 0.932 169 K CA -0.548 55.852 56.287 0.188 0.000 0.795 169 K CB 1.232 33.821 32.500 0.148 0.000 1.159 169 K HN 0.522 nan 8.250 nan 0.000 0.424 170 I N 3.624 124.282 120.570 0.145 0.000 2.336 170 I HA 0.310 4.481 4.170 0.001 0.000 0.292 170 I C -0.616 175.550 176.117 0.082 0.000 0.991 170 I CA -0.747 60.612 61.300 0.098 0.000 1.227 170 I CB 1.007 39.057 38.000 0.082 0.000 1.366 170 I HN 0.597 nan 8.210 nan 0.000 0.466 171 C N 3.976 123.332 119.300 0.093 0.000 2.455 171 C HA 0.535 4.996 4.460 0.001 0.000 0.321 171 C C 1.008 176.067 174.990 0.115 0.000 1.102 171 C CA -0.790 58.285 59.018 0.096 0.000 1.413 171 C CB 0.333 28.136 27.740 0.106 0.000 1.952 171 C HN 1.105 nan 8.230 nan 0.000 0.428 172 G N 1.995 110.827 108.800 0.052 0.000 2.249 172 G HA2 0.176 4.137 3.960 0.001 0.000 0.273 172 G HA3 0.176 4.137 3.960 0.001 0.000 0.273 172 G C 1.102 175.922 174.900 -0.135 0.000 1.036 172 G CA 1.027 46.136 45.100 0.016 0.000 0.824 172 G HN 2.425 nan 8.290 nan 0.000 0.504 173 G N -2.890 105.797 108.800 -0.188 0.000 2.195 173 G HA2 -0.278 3.682 3.960 0.001 0.000 0.246 173 G HA3 -0.278 3.682 3.960 0.001 0.000 0.246 173 G C 0.438 175.007 174.900 -0.553 0.000 0.984 173 G CA 0.468 45.321 45.100 -0.412 0.000 0.633 173 G HN 1.125 nan 8.290 nan 0.000 0.525 174 W N 0.759 121.999 121.300 -0.100 0.000 2.436 174 W HA 0.667 5.327 4.660 0.001 0.000 0.347 174 W C 0.689 177.155 176.519 -0.089 0.000 1.136 174 W CA -0.860 56.422 57.345 -0.105 0.000 1.286 174 W CB 0.844 30.258 29.460 -0.076 0.000 1.253 174 W HN 0.160 nan 8.180 nan 0.000 0.617 175 Q N 3.131 123.068 119.800 0.227 0.000 2.322 175 Q HA 0.252 4.592 4.340 0.001 0.000 0.256 175 Q C -0.592 175.466 176.000 0.098 0.000 0.960 175 Q CA -0.355 55.529 55.803 0.135 0.000 0.934 175 Q CB 0.550 29.357 28.738 0.113 0.000 1.200 175 Q HN 0.309 nan 8.270 nan 0.000 0.435 176 M N 3.167 122.824 119.600 0.095 0.000 2.423 176 M HA 0.331 4.812 4.480 0.001 0.000 0.335 176 M C -0.219 176.106 176.300 0.041 0.000 1.177 176 M CA -0.478 54.847 55.300 0.041 0.000 1.038 176 M CB 1.455 34.090 32.600 0.059 0.000 1.641 176 M HN 0.596 nan 8.290 nan 0.000 0.455 177 E N 1.471 121.639 120.200 -0.053 0.000 2.242 177 E HA 0.535 4.885 4.350 0.001 0.000 0.275 177 E C -1.086 175.586 176.600 0.121 0.000 1.002 177 E CA -0.494 55.890 56.400 -0.026 0.000 0.841 177 E CB 1.884 31.331 29.700 -0.422 0.000 1.109 177 E HN 0.537 nan 8.360 nan 0.000 0.394 178 E N 0.379 120.733 120.200 0.256 0.000 2.256 178 E HA 0.451 4.802 4.350 0.001 0.000 0.268 178 E C -1.026 175.716 176.600 0.237 0.000 0.877 178 E CA -0.927 55.593 56.400 0.200 0.000 0.757 178 E CB 2.186 31.994 29.700 0.180 0.000 1.183 178 E HN 0.660 nan 8.360 nan 0.000 0.418 179 A N 2.807 125.737 122.820 0.184 0.000 2.584 179 A HA -0.065 4.255 4.320 0.001 0.000 0.239 179 A C 0.037 177.786 177.584 0.275 0.000 1.043 179 A CA 0.507 52.674 52.037 0.216 0.000 0.756 179 A CB 0.036 19.121 19.000 0.141 0.000 0.963 179 A HN 0.558 nan 8.150 nan 0.000 0.511 180 D N 1.996 122.600 120.400 0.340 0.000 2.485 180 D HA 0.208 4.849 4.640 0.001 0.000 0.256 180 D C -0.738 175.819 176.300 0.428 0.000 1.141 180 D CA -0.518 53.679 54.000 0.329 0.000 0.942 180 D CB 0.365 41.315 40.800 0.251 0.000 1.003 180 D HN 0.484 nan 8.370 nan 0.000 0.507 181 D N 3.139 123.756 120.400 0.362 0.000 2.631 181 D HA -0.045 4.595 4.640 0.001 0.000 0.227 181 D C 1.524 177.864 176.300 0.067 0.000 1.146 181 D CA -0.799 53.281 54.000 0.134 0.000 1.009 181 D CB -0.402 40.442 40.800 0.074 0.000 1.057 181 D HN 0.525 nan 8.370 nan 0.000 0.509 182 W N 1.463 122.767 121.300 0.006 0.000 2.424 182 W HA -0.096 4.564 4.660 0.001 0.000 0.264 182 W C 0.115 176.650 176.519 0.027 0.000 1.229 182 W CA -0.094 57.276 57.345 0.042 0.000 1.208 182 W CB -0.802 28.690 29.460 0.055 0.000 1.127 182 W HN 0.200 nan 8.180 nan 0.000 0.588 183 L N 0.822 121.554 121.223 -0.818 0.000 2.592 183 L HA 0.137 4.478 4.340 0.001 0.000 0.227 183 L C 2.792 179.418 176.870 -0.406 0.000 1.127 183 L CA -0.030 54.334 54.840 -0.794 0.000 0.884 183 L CB -0.607 40.834 42.059 -1.029 0.000 1.065 183 L HN -0.092 nan 8.230 nan 0.000 0.457 184 R N 0.613 120.917 120.500 -0.326 0.000 2.136 184 R HA -0.249 4.091 4.340 0.001 0.000 0.242 184 R C 1.258 177.289 176.300 -0.448 0.000 1.131 184 R CA 2.275 58.121 56.100 -0.422 0.000 0.937 184 R CB -0.208 29.745 30.300 -0.579 0.000 0.863 184 R HN 0.296 nan 8.270 nan 0.000 0.435 185 Y N -0.764 119.530 120.300 -0.010 0.000 2.468 185 Y HA 0.361 4.911 4.550 0.001 0.000 0.268 185 Y C 0.766 176.737 175.900 0.119 0.000 1.177 185 Y CA 0.409 58.507 58.100 -0.002 0.000 1.265 185 Y CB 0.953 39.367 38.460 -0.077 0.000 1.103 185 Y HN 0.462 nan 8.280 nan 0.000 0.522 186 G N 1.127 110.034 108.800 0.179 0.000 2.555 186 G HA2 -0.147 3.813 3.960 0.001 0.000 0.686 186 G HA3 -0.147 3.813 3.960 0.001 0.000 0.686 186 G C -1.473 173.493 174.900 0.111 0.000 1.275 186 G CA -0.957 44.239 45.100 0.159 0.000 0.871 186 G HN 0.257 nan 8.290 nan 0.000 0.603 187 N N 0.859 119.525 118.700 -0.057 0.000 2.540 187 N HA 0.631 5.372 4.740 0.001 0.000 0.275 187 N C -0.724 174.621 175.510 -0.275 0.000 1.053 187 N CA -1.746 51.230 53.050 -0.123 0.000 0.876 187 N CB 2.331 40.754 38.487 -0.107 0.000 1.284 187 N HN 0.219 nan 8.380 nan 0.000 0.518 188 P HA -0.026 nan 4.420 nan 0.000 0.223 188 P C 0.652 177.434 177.300 -0.863 0.000 1.151 188 P CA 0.933 63.426 63.100 -1.010 0.000 0.787 188 P CB 0.097 30.796 31.700 -1.669 0.000 0.788 189 W N 1.709 122.830 121.300 -0.297 0.000 2.584 189 W HA 0.017 4.678 4.660 0.001 0.000 0.264 189 W C 1.427 177.847 176.519 -0.165 0.000 1.264 189 W CA -0.193 57.024 57.345 -0.214 0.000 1.306 189 W CB -0.125 29.261 29.460 -0.123 0.000 1.110 189 W HN 0.034 nan 8.180 nan 0.000 0.606 190 E N 1.291 121.529 120.200 0.062 0.000 2.250 190 E HA 0.299 4.649 4.350 0.001 0.000 0.269 190 E C -0.435 176.170 176.600 0.009 0.000 1.018 190 E CA -0.685 55.749 56.400 0.057 0.000 0.873 190 E CB 1.380 31.160 29.700 0.132 0.000 1.134 190 E HN -0.341 nan 8.360 nan 0.000 0.403 191 K N 1.307 121.697 120.400 -0.016 0.000 2.502 191 K HA 0.384 4.704 4.320 0.001 0.000 0.254 191 K C -1.096 175.430 176.600 -0.122 0.000 0.947 191 K CA -0.661 55.588 56.287 -0.064 0.000 0.834 191 K CB 1.711 34.128 32.500 -0.137 0.000 1.112 191 K HN 0.695 nan 8.250 nan 0.000 0.427 192 A N 4.150 126.846 122.820 -0.207 0.000 2.498 192 A HA 0.253 4.574 4.320 0.001 0.000 0.239 192 A C 0.014 177.387 177.584 -0.351 0.000 1.068 192 A CA 0.087 51.755 52.037 -0.615 0.000 0.766 192 A CB 0.249 18.959 19.000 -0.484 0.000 1.003 192 A HN 0.589 nan 8.150 nan 0.000 0.497 193 R N 3.188 123.476 120.500 -0.354 0.000 2.651 193 R HA 0.211 4.552 4.340 0.001 0.000 0.282 193 R C -2.473 173.777 176.300 -0.083 0.000 1.565 193 R CA -1.596 54.448 56.100 -0.092 0.000 1.661 193 R CB 0.869 31.273 30.300 0.173 0.000 1.189 193 R HN 0.555 nan 8.270 nan 0.000 0.621 194 P HA -0.121 nan 4.420 nan 0.000 0.228 194 P C 0.131 177.371 177.300 -0.100 0.000 1.151 194 P CA 1.052 64.101 63.100 -0.085 0.000 0.770 194 P CB 0.489 32.139 31.700 -0.083 0.000 0.786 195 E N -1.112 118.953 120.200 -0.224 0.000 2.371 195 E HA -0.011 4.340 4.350 0.001 0.000 0.194 195 E C 0.706 177.060 176.600 -0.411 0.000 1.012 195 E CA 0.699 56.874 56.400 -0.376 0.000 0.860 195 E CB -0.788 28.559 29.700 -0.588 0.000 0.811 195 E HN 0.301 nan 8.360 nan 0.000 0.502 196 F N 0.889 120.874 119.950 0.059 0.000 2.684 196 F HA 0.247 4.775 4.527 0.001 0.000 0.298 196 F C 0.218 176.128 175.800 0.183 0.000 1.120 196 F CA -0.572 57.499 58.000 0.119 0.000 1.332 196 F CB -0.091 38.990 39.000 0.136 0.000 0.986 196 F HN -0.298 nan 8.300 nan 0.000 0.524 197 T N 3.519 118.215 114.554 0.237 0.000 2.867 197 T HA 0.313 4.663 4.350 0.001 0.000 0.297 197 T C 0.120 174.901 174.700 0.135 0.000 0.989 197 T CA 0.455 62.677 62.100 0.203 0.000 1.159 197 T CB 0.255 69.191 68.868 0.112 0.000 0.928 197 T HN 0.030 nan 8.240 nan 0.000 0.538 198 L N 5.594 126.861 121.223 0.072 0.000 2.341 198 L HA 0.497 4.837 4.340 0.001 0.000 0.267 198 L C -2.354 174.461 176.870 -0.090 0.000 1.009 198 L CA -2.859 51.958 54.840 -0.038 0.000 0.819 198 L CB 1.911 43.876 42.059 -0.158 0.000 1.323 198 L HN 0.336 nan 8.230 nan 0.000 0.425 199 P HA 0.166 nan 4.420 nan 0.000 0.276 199 P C -1.065 176.111 177.300 -0.207 0.000 1.235 199 P CA -0.206 62.801 63.100 -0.155 0.000 0.772 199 P CB 1.007 32.644 31.700 -0.104 0.000 0.871 200 V N 4.577 124.345 119.914 -0.243 0.000 2.448 200 V HA 0.294 4.414 4.120 0.001 0.000 0.295 200 V C 0.191 176.085 176.094 -0.333 0.000 1.025 200 V CA -0.601 61.552 62.300 -0.244 0.000 0.859 200 V CB 0.999 32.715 31.823 -0.178 0.000 0.988 200 V HN 0.589 nan 8.190 nan 0.000 0.431 201 H N 3.754 122.679 119.070 -0.241 0.000 2.483 201 H HA 0.633 5.189 4.556 0.001 0.000 0.338 201 H C -1.377 173.682 175.328 -0.448 0.000 1.152 201 H CA -0.190 55.629 56.048 -0.383 0.000 1.264 201 H CB 2.037 31.338 29.762 -0.769 0.000 1.510 201 H HN 0.463 nan 8.280 nan 0.000 0.530 202 F N 0.380 120.342 119.950 0.020 0.000 2.619 202 F HA 0.180 4.707 4.527 0.001 0.000 0.308 202 F C -0.339 175.557 175.800 0.160 0.000 1.097 202 F CA -0.631 57.406 58.000 0.061 0.000 0.953 202 F CB 0.765 39.748 39.000 -0.028 0.000 1.287 202 F HN 0.607 nan 8.300 nan 0.000 0.446 203 Y N 0.443 121.052 120.300 0.515 0.000 2.896 203 Y HA -0.050 4.500 4.550 0.001 0.000 0.466 203 Y C 1.547 177.691 175.900 0.407 0.000 1.198 203 Y CA 0.854 59.165 58.100 0.351 0.000 2.512 203 Y CB -1.887 36.697 38.460 0.207 0.000 1.232 203 Y HN 1.295 nan 8.280 nan 0.000 0.632 204 G N 0.567 109.636 108.800 0.448 0.000 2.575 204 G HA2 -0.136 3.825 3.960 0.001 0.000 0.267 204 G HA3 -0.136 3.825 3.960 0.001 0.000 0.267 204 G C -0.373 174.754 174.900 0.378 0.000 1.264 204 G CA 0.718 46.001 45.100 0.304 0.000 0.935 204 G HN 0.971 nan 8.290 nan 0.000 0.568 205 R N -1.694 119.038 120.500 0.387 0.000 2.604 205 R HA 0.557 4.897 4.340 0.001 0.000 0.270 205 R C -0.725 175.768 176.300 0.321 0.000 1.052 205 R CA -0.641 55.632 56.100 0.287 0.000 0.902 205 R CB 1.956 32.367 30.300 0.185 0.000 1.233 205 R HN 0.750 nan 8.270 nan 0.000 0.455 206 V N 2.362 122.411 119.914 0.224 0.000 2.539 206 V HA 0.446 4.566 4.120 0.001 0.000 0.292 206 V C -0.175 176.035 176.094 0.193 0.000 1.045 206 V CA -0.464 61.943 62.300 0.179 0.000 0.945 206 V CB 1.501 33.392 31.823 0.113 0.000 0.993 206 V HN 0.771 nan 8.190 nan 0.000 0.464 207 E N 2.306 122.595 120.200 0.149 0.000 2.343 207 E HA 0.280 4.631 4.350 0.001 0.000 0.260 207 E C -0.989 175.675 176.600 0.106 0.000 0.908 207 E CA -0.606 55.883 56.400 0.149 0.000 0.814 207 E CB 0.815 30.576 29.700 0.102 0.000 1.302 207 E HN 0.849 nan 8.360 nan 0.000 0.408 208 H N 3.890 122.978 119.070 0.031 0.000 3.014 208 H HA 0.108 4.664 4.556 0.001 0.000 0.266 208 H C 0.080 175.420 175.328 0.020 0.000 1.455 208 H CA -0.064 55.997 56.048 0.022 0.000 1.402 208 H CB 0.323 30.094 29.762 0.014 0.000 1.626 208 H HN 0.429 nan 8.280 nan 0.000 0.520 209 T N -0.489 114.104 114.554 0.065 0.000 2.904 209 T HA 0.014 4.365 4.350 0.001 0.000 0.290 209 T C 1.469 176.195 174.700 0.044 0.000 1.018 209 T CA -0.841 61.288 62.100 0.049 0.000 1.075 209 T CB 1.340 70.225 68.868 0.028 0.000 0.986 209 T HN 0.476 nan 8.240 nan 0.000 0.523 210 S N 0.025 115.749 115.700 0.040 0.000 2.881 210 S HA 0.040 4.511 4.470 0.001 0.000 0.228 210 S C 0.557 175.172 174.600 0.025 0.000 0.965 210 S CA -0.151 58.070 58.200 0.035 0.000 0.998 210 S CB -0.526 62.692 63.200 0.030 0.000 0.795 210 S HN 0.757 nan 8.310 nan 0.000 0.518 211 Q N 0.642 120.454 119.800 0.020 0.000 2.903 211 Q HA 0.505 4.846 4.340 0.001 0.000 0.342 211 Q C 0.221 176.223 176.000 0.003 0.000 0.808 211 Q CA 0.599 56.410 55.803 0.013 0.000 1.004 211 Q CB 0.602 29.348 28.738 0.013 0.000 1.470 211 Q HN 0.679 nan 8.270 nan 0.000 0.387 212 G N 0.308 109.106 108.800 -0.003 0.000 2.795 212 G HA2 0.079 4.039 3.960 0.001 0.000 0.664 212 G HA3 0.079 4.039 3.960 0.001 0.000 0.664 212 G C -0.562 174.291 174.900 -0.078 0.000 1.381 212 G CA -0.540 44.542 45.100 -0.030 0.000 0.853 212 G HN 0.758 nan 8.290 nan 0.000 0.545 213 A N 0.456 123.187 122.820 -0.148 0.000 2.304 213 A HA 0.783 5.104 4.320 0.001 0.000 0.301 213 A C 0.437 177.948 177.584 -0.123 0.000 1.132 213 A CA -0.001 51.882 52.037 -0.256 0.000 0.819 213 A CB 0.868 19.599 19.000 -0.449 0.000 1.094 213 A HN 0.755 nan 8.150 nan 0.000 0.492 214 K N 0.425 120.781 120.400 -0.074 0.000 2.318 214 K HA 0.300 4.620 4.320 0.001 0.000 0.249 214 K C -1.754 174.916 176.600 0.118 0.000 0.942 214 K CA -0.395 55.903 56.287 0.018 0.000 0.808 214 K CB 2.223 34.737 32.500 0.023 0.000 1.189 214 K HN 0.720 nan 8.250 nan 0.000 0.428 215 W N 4.757 126.005 121.300 -0.088 0.000 2.347 215 W HA 0.317 4.978 4.660 0.001 0.000 0.321 215 W C -0.862 175.629 176.519 -0.047 0.000 0.971 215 W CA -0.887 56.417 57.345 -0.068 0.000 1.508 215 W CB 0.052 29.452 29.460 -0.100 0.000 1.299 215 W HN 0.287 nan 8.180 nan 0.000 0.399 216 V N 1.927 121.910 119.914 0.114 0.000 3.177 216 V HA 0.600 4.721 4.120 0.001 0.000 0.319 216 V C 0.262 176.351 176.094 -0.009 0.000 1.125 216 V CA -0.721 61.579 62.300 -0.001 0.000 1.029 216 V CB 1.764 33.613 31.823 0.043 0.000 1.119 216 V HN 0.402 nan 8.190 nan 0.000 0.452 217 D N 0.131 120.527 120.400 -0.006 0.000 2.837 217 D HA -0.144 4.497 4.640 0.001 0.000 0.230 217 D C 0.599 176.914 176.300 0.025 0.000 1.152 217 D CA 1.468 55.483 54.000 0.025 0.000 0.736 217 D CB -1.490 39.344 40.800 0.057 0.000 1.084 217 D HN 1.238 nan 8.370 nan 0.000 0.429 218 T N -2.473 112.050 114.554 -0.052 0.000 2.860 218 T HA 0.254 4.605 4.350 0.001 0.000 0.299 218 T C 0.413 175.165 174.700 0.087 0.000 1.045 218 T CA -0.633 61.440 62.100 -0.045 0.000 1.071 218 T CB 2.391 71.096 68.868 -0.271 0.000 0.985 218 T HN 0.172 nan 8.240 nan 0.000 0.537 219 Q N 0.664 120.583 119.800 0.199 0.000 2.230 219 Q HA 0.483 4.823 4.340 0.001 0.000 0.248 219 Q C -1.485 174.616 176.000 0.169 0.000 0.915 219 Q CA -0.773 55.160 55.803 0.216 0.000 0.900 219 Q CB 1.292 30.224 28.738 0.323 0.000 1.229 219 Q HN 0.629 nan 8.270 nan 0.000 0.439 220 V N 3.810 123.786 119.914 0.103 0.000 2.448 220 V HA 0.396 4.516 4.120 0.001 0.000 0.295 220 V C -0.307 175.844 176.094 0.095 0.000 1.025 220 V CA -0.716 61.562 62.300 -0.037 0.000 0.859 220 V CB 1.729 33.448 31.823 -0.174 0.000 0.988 220 V HN 0.594 nan 8.190 nan 0.000 0.431 221 V N 5.861 125.856 119.914 0.135 0.000 2.547 221 V HA 0.489 4.609 4.120 0.001 0.000 0.299 221 V C -0.044 176.127 176.094 0.129 0.000 1.040 221 V CA -0.636 61.775 62.300 0.185 0.000 0.913 221 V CB 1.897 33.908 31.823 0.315 0.000 0.992 221 V HN 0.628 nan 8.190 nan 0.000 0.449 222 L N 3.529 124.828 121.223 0.127 0.000 2.334 222 L HA 0.743 5.083 4.340 0.001 0.000 0.277 222 L C 0.320 177.352 176.870 0.270 0.000 1.075 222 L CA -0.388 54.525 54.840 0.122 0.000 0.804 222 L CB 1.418 43.519 42.059 0.069 0.000 1.174 222 L HN 0.740 nan 8.230 nan 0.000 0.438 223 A N 5.048 127.987 122.820 0.199 0.000 2.285 223 A HA 0.599 4.919 4.320 0.001 0.000 0.310 223 A C -0.560 177.275 177.584 0.418 0.000 1.266 223 A CA -0.461 51.738 52.037 0.271 0.000 0.832 223 A CB 1.006 19.749 19.000 -0.428 0.000 1.163 223 A HN 0.788 nan 8.150 nan 0.000 0.499 224 M N 5.937 125.857 119.600 0.534 0.000 2.149 224 M HA 0.472 4.952 4.480 0.001 0.000 0.342 224 M C -2.622 173.944 176.300 0.444 0.000 1.068 224 M CA -2.162 53.398 55.300 0.433 0.000 0.991 224 M CB 2.051 34.806 32.600 0.259 0.000 1.596 224 M HN 0.339 nan 8.290 nan 0.000 0.439 225 P HA 0.233 nan 4.420 nan 0.000 0.284 225 P C -1.927 175.239 177.300 -0.224 0.000 1.253 225 P CA 0.065 63.001 63.100 -0.273 0.000 0.800 225 P CB 0.448 31.769 31.700 -0.631 0.000 0.961 226 Y N 0.550 120.720 120.300 -0.216 0.000 2.376 226 Y HA 0.345 4.895 4.550 0.001 0.000 0.340 226 Y C 0.328 176.096 175.900 -0.220 0.000 0.965 226 Y CA -0.311 57.699 58.100 -0.152 0.000 1.078 226 Y CB 1.438 39.847 38.460 -0.085 0.000 1.193 226 Y HN 0.218 nan 8.280 nan 0.000 0.452 227 D N 2.102 122.449 120.400 -0.088 0.000 2.256 227 D HA 0.357 4.998 4.640 0.001 0.000 0.240 227 D C -0.754 175.443 176.300 -0.172 0.000 1.062 227 D CA -0.323 53.569 54.000 -0.179 0.000 0.832 227 D CB 1.910 42.565 40.800 -0.242 0.000 1.135 227 D HN 0.391 nan 8.370 nan 0.000 0.484 228 T N 2.880 117.334 114.554 -0.166 0.000 2.786 228 T HA 0.448 4.799 4.350 0.001 0.000 0.283 228 T C -2.532 172.065 174.700 -0.172 0.000 0.992 228 T CA -1.501 60.520 62.100 -0.130 0.000 0.954 228 T CB 1.902 70.732 68.868 -0.064 0.000 0.934 228 T HN 0.010 nan 8.240 nan 0.000 0.440 229 P HA 0.247 nan 4.420 nan 0.000 0.271 229 P C -0.702 176.554 177.300 -0.072 0.000 1.216 229 P CA -0.543 62.476 63.100 -0.136 0.000 0.776 229 P CB 0.497 32.116 31.700 -0.135 0.000 0.881 230 V N 0.991 120.896 119.914 -0.014 0.000 2.376 230 V HA 0.592 4.713 4.120 0.001 0.000 0.287 230 V C -2.664 173.427 176.094 -0.005 0.000 1.015 230 V CA -2.816 59.460 62.300 -0.041 0.000 0.834 230 V CB 1.485 33.279 31.823 -0.048 0.000 1.001 230 V HN 0.350 nan 8.190 nan 0.000 0.428 231 P HA 0.374 nan 4.420 nan 0.000 0.285 231 P C 0.492 177.795 177.300 0.004 0.000 1.259 231 P CA 0.491 63.587 63.100 -0.007 0.000 0.794 231 P CB 1.572 33.253 31.700 -0.033 0.000 0.940 232 G N 2.068 110.878 108.800 0.016 0.000 2.572 232 G HA2 0.118 4.079 3.960 0.001 0.000 0.261 232 G HA3 0.118 4.079 3.960 0.001 0.000 0.261 232 G C -1.087 173.846 174.900 0.054 0.000 1.197 232 G CA -0.395 44.727 45.100 0.038 0.000 0.870 232 G HN 0.449 nan 8.290 nan 0.000 0.548 233 Y N 0.830 121.106 120.300 -0.041 0.000 2.674 233 Y HA 0.229 4.780 4.550 0.001 0.000 0.354 233 Y C 1.202 177.072 175.900 -0.050 0.000 1.089 233 Y CA -0.141 57.927 58.100 -0.053 0.000 1.444 233 Y CB -0.092 38.332 38.460 -0.061 0.000 1.187 233 Y HN 0.716 nan 8.280 nan 0.000 0.523 234 R N 2.987 123.242 120.500 -0.409 0.000 3.336 234 R HA -0.295 4.046 4.340 0.001 0.000 0.260 234 R C 0.016 176.199 176.300 -0.194 0.000 1.032 234 R CA 1.319 57.181 56.100 -0.398 0.000 0.693 234 R CB -1.824 28.072 30.300 -0.673 0.000 1.134 234 R HN 0.954 nan 8.270 nan 0.000 0.433 235 N N -1.638 116.992 118.700 -0.117 0.000 2.082 235 N HA 0.023 4.763 4.740 0.001 0.000 0.228 235 N C -0.347 175.115 175.510 -0.080 0.000 1.341 235 N CA -0.283 52.721 53.050 -0.077 0.000 0.873 235 N CB 0.560 39.024 38.487 -0.038 0.000 1.137 235 N HN 0.122 nan 8.380 nan 0.000 0.505 236 N N 0.566 119.220 118.700 -0.077 0.000 2.753 236 N HA -0.154 4.587 4.740 0.001 0.000 0.251 236 N C -0.315 175.148 175.510 -0.078 0.000 1.097 236 N CA 1.022 54.032 53.050 -0.067 0.000 0.786 236 N CB -1.674 36.770 38.487 -0.073 0.000 1.137 236 N HN 0.478 nan 8.380 nan 0.000 0.566 237 V N -0.530 119.344 119.914 -0.067 0.000 2.406 237 V HA 0.584 4.705 4.120 0.001 0.000 0.272 237 V C 0.084 176.171 176.094 -0.012 0.000 1.043 237 V CA -0.513 61.746 62.300 -0.068 0.000 0.915 237 V CB 1.629 33.429 31.823 -0.039 0.000 0.988 237 V HN -0.010 nan 8.190 nan 0.000 0.466 238 V N 7.008 126.922 119.914 -0.000 0.000 2.487 238 V HA 0.583 4.704 4.120 0.001 0.000 0.298 238 V C -0.088 176.094 176.094 0.146 0.000 1.028 238 V CA -0.710 61.650 62.300 0.100 0.000 0.860 238 V CB 1.643 33.580 31.823 0.191 0.000 0.991 238 V HN 0.956 nan 8.190 nan 0.000 0.427 239 N N 1.585 120.369 118.700 0.140 0.000 2.483 239 N HA 0.539 5.280 4.740 0.001 0.000 0.285 239 N C -0.264 175.353 175.510 0.177 0.000 1.210 239 N CA -0.485 52.621 53.050 0.093 0.000 0.931 239 N CB 1.602 40.061 38.487 -0.048 0.000 1.220 239 N HN 0.606 nan 8.380 nan 0.000 0.542 240 T N 1.009 115.615 114.554 0.086 0.000 2.744 240 T HA 0.319 4.669 4.350 0.001 0.000 0.291 240 T C 0.217 174.888 174.700 -0.048 0.000 0.957 240 T CA -0.351 61.833 62.100 0.139 0.000 1.002 240 T CB 0.337 69.408 68.868 0.338 0.000 0.919 240 T HN 0.252 nan 8.240 nan 0.000 0.468 241 M N 4.116 123.635 119.600 -0.135 0.000 2.088 241 M HA 0.525 5.005 4.480 0.001 0.000 0.346 241 M C -0.441 175.658 176.300 -0.335 0.000 1.111 241 M CA -0.787 54.347 55.300 -0.276 0.000 1.017 241 M CB 0.515 32.916 32.600 -0.332 0.000 1.568 241 M HN 0.418 nan 8.290 nan 0.000 0.445 242 R N 4.640 124.826 120.500 -0.523 0.000 2.310 242 R HA 0.614 4.954 4.340 0.001 0.000 0.324 242 R C -2.216 173.704 176.300 -0.633 0.000 0.955 242 R CA -0.380 55.331 56.100 -0.649 0.000 0.830 242 R CB 0.988 30.688 30.300 -0.999 0.000 1.154 242 R HN 0.669 nan 8.270 nan 0.000 0.458 243 L N 5.179 126.136 121.223 -0.443 0.000 2.356 243 L HA 0.531 4.871 4.340 0.001 0.000 0.277 243 L C -1.090 175.673 176.870 -0.179 0.000 0.996 243 L CA -0.382 54.316 54.840 -0.237 0.000 0.822 243 L CB 1.356 43.375 42.059 -0.067 0.000 1.256 243 L HN 0.632 nan 8.230 nan 0.000 0.413 244 W N 2.158 123.557 121.300 0.165 0.000 2.315 244 W HA 0.623 5.283 4.660 0.001 0.000 0.316 244 W C 0.545 177.273 176.519 0.347 0.000 1.211 244 W CA -0.234 57.243 57.345 0.220 0.000 1.201 244 W CB 1.528 30.998 29.460 0.016 0.000 1.184 244 W HN 0.381 nan 8.180 nan 0.000 0.544 245 S N 1.431 117.530 115.700 0.664 0.000 2.503 245 S HA 0.783 5.253 4.470 0.001 0.000 0.301 245 S C -0.513 174.401 174.600 0.524 0.000 1.087 245 S CA -0.699 57.782 58.200 0.469 0.000 1.042 245 S CB 0.834 64.265 63.200 0.384 0.000 1.043 245 S HN 0.489 nan 8.310 nan 0.000 0.489 246 A N 3.485 126.434 122.820 0.214 0.000 2.309 246 A HA 0.731 5.051 4.320 0.001 0.000 0.298 246 A C -0.305 177.345 177.584 0.110 0.000 1.165 246 A CA -0.476 51.602 52.037 0.068 0.000 0.821 246 A CB 0.524 19.289 19.000 -0.392 0.000 1.102 246 A HN 0.721 nan 8.150 nan 0.000 0.500 247 K N 1.601 122.082 120.400 0.136 0.000 2.513 247 K HA 0.612 4.932 4.320 0.001 0.000 0.251 247 K C -0.540 176.102 176.600 0.069 0.000 0.939 247 K CA -0.495 55.851 56.287 0.099 0.000 0.793 247 K CB 1.891 34.457 32.500 0.110 0.000 1.241 247 K HN 0.932 nan 8.250 nan 0.000 0.431 248 A N 4.325 127.173 122.820 0.047 0.000 2.371 248 A HA 0.451 4.771 4.320 0.001 0.000 0.257 248 A C -2.381 175.093 177.584 -0.182 0.000 1.089 248 A CA -1.263 50.787 52.037 0.021 0.000 0.794 248 A CB -0.172 18.920 19.000 0.153 0.000 1.029 248 A HN 0.471 nan 8.150 nan 0.000 0.488 249 P HA 0.152 nan 4.420 nan 0.000 0.271 249 P C -0.363 176.384 177.300 -0.923 0.000 1.220 249 P CA 0.128 62.942 63.100 -0.477 0.000 0.768 249 P CB 0.292 31.762 31.700 -0.384 0.000 0.848 250 N N 1.066 119.462 118.700 -0.506 0.000 2.346 250 N HA 0.000 4.741 4.740 0.001 0.000 0.225 250 N C 0.457 175.801 175.510 -0.276 0.000 1.144 250 N CA -0.043 52.768 53.050 -0.399 0.000 0.837 250 N CB -0.248 38.145 38.487 -0.157 0.000 1.069 250 N HN 0.393 nan 8.380 nan 0.000 0.487 251 D N 0.198 120.385 120.400 -0.356 0.000 2.384 251 D HA -0.114 4.527 4.640 0.001 0.000 0.222 251 D C 0.206 176.582 176.300 0.127 0.000 0.976 251 D CA 0.833 54.775 54.000 -0.097 0.000 0.915 251 D CB 0.148 40.917 40.800 -0.052 0.000 0.896 251 D HN 0.231 nan 8.370 nan 0.000 0.523 263 I N 1.860 122.338 120.570 -0.154 0.000 2.437 263 I HA 0.598 4.768 4.170 0.001 0.000 0.298 263 I C -0.545 175.496 176.117 -0.127 0.000 0.984 263 I CA -0.913 60.243 61.300 -0.241 0.000 1.214 263 I CB 1.691 39.605 38.000 -0.144 0.000 1.365 263 I HN 0.299 nan 8.210 nan 0.000 0.469 264 Q N 3.874 123.573 119.800 -0.169 0.000 2.553 264 Q HA 0.438 4.778 4.340 0.001 0.000 0.395 264 Q C 0.975 176.850 176.000 -0.209 0.000 0.971 264 Q CA -0.111 55.605 55.803 -0.146 0.000 1.090 264 Q CB 0.959 29.625 28.738 -0.119 0.000 1.328 264 Q HN 0.893 nan 8.270 nan 0.000 0.413 265 A N -0.630 122.020 122.820 -0.284 0.000 1.940 265 A HA -0.164 4.157 4.320 0.001 0.000 0.219 265 A C 1.863 179.262 177.584 -0.309 0.000 1.176 265 A CA 1.702 53.424 52.037 -0.525 0.000 0.631 265 A CB -0.403 18.167 19.000 -0.717 0.000 0.814 265 A HN 0.369 nan 8.150 nan 0.000 0.446 266 V N 0.279 120.111 119.914 -0.136 0.000 2.250 266 V HA -0.361 3.759 4.120 0.001 0.000 0.253 266 V C 2.573 178.648 176.094 -0.033 0.000 1.065 266 V CA 2.385 64.662 62.300 -0.038 0.000 1.039 266 V CB -0.905 30.908 31.823 -0.016 0.000 0.647 266 V HN 0.612 nan 8.190 nan 0.000 0.446 267 L N -0.342 120.844 121.223 -0.061 0.000 2.044 267 L HA -0.106 4.234 4.340 0.001 0.000 0.205 267 L C 1.905 178.751 176.870 -0.040 0.000 1.075 267 L CA 1.345 56.158 54.840 -0.044 0.000 0.747 267 L CB -0.759 41.267 42.059 -0.054 0.000 0.903 267 L HN 0.321 nan 8.230 nan 0.000 0.435 268 D N -0.242 120.106 120.400 -0.087 0.000 2.348 268 D HA -0.072 4.569 4.640 0.001 0.000 0.248 268 D C 1.932 178.254 176.300 0.037 0.000 1.142 268 D CA 0.434 54.398 54.000 -0.060 0.000 0.904 268 D CB 0.115 40.830 40.800 -0.141 0.000 0.901 268 D HN 0.186 nan 8.370 nan 0.000 0.523 269 R N -0.036 120.502 120.500 0.063 0.000 2.140 269 R HA 0.140 4.480 4.340 0.001 0.000 0.200 269 R C 1.501 177.869 176.300 0.113 0.000 1.069 269 R CA -0.011 56.201 56.100 0.185 0.000 1.088 269 R CB 0.185 30.607 30.300 0.204 0.000 1.012 269 R HN 0.078 nan 8.270 nan 0.000 0.500 270 N N 1.097 119.836 118.700 0.065 0.000 2.244 270 N HA -0.082 4.659 4.740 0.001 0.000 0.183 270 N C 1.898 177.430 175.510 0.036 0.000 1.016 270 N CA 0.919 53.999 53.050 0.049 0.000 0.866 270 N CB 0.097 38.604 38.487 0.033 0.000 0.980 270 N HN 0.179 nan 8.380 nan 0.000 0.430 271 L N 0.679 121.918 121.223 0.026 0.000 2.156 271 L HA -0.021 4.320 4.340 0.001 0.000 0.208 271 L C 2.562 179.429 176.870 -0.005 0.000 1.095 271 L CA 0.547 55.392 54.840 0.008 0.000 0.770 271 L CB -0.467 41.592 42.059 0.001 0.000 0.914 271 L HN 0.063 nan 8.230 nan 0.000 0.439 272 A N 0.442 123.281 122.820 0.031 0.000 1.835 272 A HA -0.209 4.111 4.320 0.001 0.000 0.215 272 A C 2.199 179.779 177.584 -0.008 0.000 1.199 272 A CA 1.580 53.639 52.037 0.035 0.000 0.615 272 A CB -0.567 18.505 19.000 0.119 0.000 0.838 272 A HN 0.384 nan 8.150 nan 0.000 0.444 273 E N 0.070 120.289 120.200 0.031 0.000 2.118 273 E HA -0.219 4.132 4.350 0.001 0.000 0.195 273 E C 1.536 178.143 176.600 0.011 0.000 0.992 273 E CA 1.356 57.773 56.400 0.028 0.000 0.804 273 E CB -0.406 29.332 29.700 0.065 0.000 0.741 273 E HN 0.924 nan 8.360 nan 0.000 0.458 274 N N 0.695 119.405 118.700 0.017 0.000 2.449 274 N HA -0.017 4.724 4.740 0.001 0.000 0.191 274 N C 1.642 177.163 175.510 0.019 0.000 1.161 274 N CA -0.050 53.025 53.050 0.042 0.000 0.863 274 N CB -0.004 38.518 38.487 0.059 0.000 0.980 274 N HN 0.131 nan 8.380 nan 0.000 0.458 275 I N 1.210 121.739 120.570 -0.068 0.000 2.335 275 I HA -0.222 3.949 4.170 0.001 0.000 0.251 275 I C 1.446 177.498 176.117 -0.108 0.000 1.129 275 I CA 1.284 62.503 61.300 -0.135 0.000 1.402 275 I CB -0.074 37.700 38.000 -0.376 0.000 1.069 275 I HN 0.323 nan 8.210 nan 0.000 0.424 276 S N -0.763 114.873 115.700 -0.107 0.000 2.588 276 S HA 0.255 4.726 4.470 0.001 0.000 0.245 276 S C 1.382 176.044 174.600 0.104 0.000 1.021 276 S CA -0.669 57.502 58.200 -0.048 0.000 1.006 276 S CB 0.261 63.420 63.200 -0.070 0.000 0.830 276 S HN 0.279 nan 8.310 nan 0.000 0.468 277 R N 0.198 120.804 120.500 0.176 0.000 2.075 277 R HA 0.347 4.688 4.340 0.001 0.000 0.220 277 R C 0.072 176.616 176.300 0.406 0.000 1.118 277 R CA 0.864 57.156 56.100 0.320 0.000 0.986 277 R CB 0.211 30.661 30.300 0.250 0.000 0.884 277 R HN 0.391 nan 8.270 nan 0.000 0.439 278 V N 0.720 120.786 119.914 0.254 0.000 2.971 278 V HA 0.389 4.510 4.120 0.001 0.000 0.309 278 V C -1.279 174.683 176.094 -0.220 0.000 1.130 278 V CA -0.943 61.409 62.300 0.086 0.000 0.964 278 V CB 2.162 33.993 31.823 0.013 0.000 1.029 278 V HN 0.131 nan 8.190 nan 0.000 0.427 279 L N 6.204 127.117 121.223 -0.516 0.000 2.352 279 L HA 0.839 5.180 4.340 0.001 0.000 0.269 279 L C -1.189 175.248 176.870 -0.721 0.000 1.034 279 L CA -0.317 53.998 54.840 -0.875 0.000 0.806 279 L CB 1.763 43.097 42.059 -1.209 0.000 1.244 279 L HN 0.856 nan 8.230 nan 0.000 0.447 288 G N 1.134 109.932 108.800 -0.004 0.000 4.106 288 G HA2 0.394 4.354 3.960 0.001 0.000 0.344 288 G HA3 0.394 4.354 3.960 0.001 0.000 0.344 288 G C -0.861 174.197 174.900 0.264 0.000 1.477 288 G CA -0.578 44.591 45.100 0.116 0.000 1.068 288 G HN 0.255 nan 8.290 nan 0.000 0.488 289 K N 0.654 121.178 120.400 0.207 0.000 2.270 289 K HA 0.176 4.496 4.320 0.001 0.000 0.276 289 K C 1.299 177.988 176.600 0.149 0.000 1.023 289 K CA -0.461 55.900 56.287 0.125 0.000 0.955 289 K CB 1.224 33.719 32.500 -0.009 0.000 0.975 289 K HN 0.363 nan 8.250 nan 0.000 0.471 290 E N 3.808 124.040 120.200 0.054 0.000 2.204 290 E HA -0.171 4.179 4.350 0.001 0.000 0.195 290 E C 1.236 177.802 176.600 -0.058 0.000 0.990 290 E CA 0.602 56.975 56.400 -0.045 0.000 0.821 290 E CB 0.139 29.821 29.700 -0.030 0.000 0.750 290 E HN 0.571 nan 8.360 nan 0.000 0.477 291 L N 1.197 122.438 121.223 0.031 0.000 2.056 291 L HA -0.152 4.189 4.340 0.001 0.000 0.207 291 L C 2.347 179.312 176.870 0.158 0.000 1.078 291 L CA 1.515 56.407 54.840 0.086 0.000 0.749 291 L CB -0.769 41.401 42.059 0.186 0.000 0.901 291 L HN 0.199 nan 8.230 nan 0.000 0.433 292 R N -0.414 120.224 120.500 0.231 0.000 2.112 292 R HA -0.248 4.093 4.340 0.001 0.000 0.242 292 R C 2.094 178.485 176.300 0.151 0.000 1.137 292 R CA 1.657 57.948 56.100 0.317 0.000 0.944 292 R CB -0.987 29.590 30.300 0.462 0.000 0.857 292 R HN 0.290 nan 8.270 nan 0.000 0.435 293 L N 1.576 122.688 121.223 -0.187 0.000 2.093 293 L HA -0.112 4.228 4.340 0.001 0.000 0.208 293 L C 2.052 178.854 176.870 -0.114 0.000 1.085 293 L CA 1.754 56.294 54.840 -0.500 0.000 0.755 293 L CB -0.264 41.137 42.059 -1.097 0.000 0.904 293 L HN 0.001 nan 8.230 nan 0.000 0.435 294 K N -0.887 119.482 120.400 -0.051 0.000 2.032 294 K HA -0.225 4.096 4.320 0.001 0.000 0.209 294 K C 2.127 178.919 176.600 0.320 0.000 1.048 294 K CA 2.005 58.353 56.287 0.102 0.000 0.927 294 K CB -0.237 32.132 32.500 -0.217 0.000 0.712 294 K HN 0.459 nan 8.250 nan 0.000 0.441 295 Q N 0.509 120.442 119.800 0.221 0.000 2.135 295 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 295 Q C 1.956 178.155 176.000 0.332 0.000 0.981 295 Q CA 1.466 57.442 55.803 0.288 0.000 0.856 295 Q CB 0.030 28.933 28.738 0.275 0.000 0.902 295 Q HN 0.377 nan 8.270 nan 0.000 0.425 296 E N -0.428 119.933 120.200 0.269 0.000 2.072 296 E HA -0.196 4.154 4.350 0.001 0.000 0.191 296 E C 1.709 178.439 176.600 0.218 0.000 0.985 296 E CA 0.908 57.456 56.400 0.247 0.000 0.801 296 E CB -0.108 29.731 29.700 0.233 0.000 0.750 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.687 121.043 120.300 0.094 0.000 2.163 297 Y HA -0.234 4.317 4.550 0.001 0.000 0.288 297 Y C 2.007 177.937 175.900 0.050 0.000 1.136 297 Y CA 1.129 59.234 58.100 0.010 0.000 1.147 297 Y CB -0.523 37.906 38.460 -0.050 0.000 0.987 297 Y HN 0.009 nan 8.280 nan 0.000 0.509 298 F N -0.051 119.873 119.950 -0.042 0.000 2.045 298 F HA -0.322 4.206 4.527 0.001 0.000 0.297 298 F C 2.527 178.170 175.800 -0.261 0.000 1.114 298 F CA 2.329 60.246 58.000 -0.139 0.000 1.207 298 F CB -1.153 37.909 39.000 0.103 0.000 0.964 298 F HN -0.032 nan 8.300 nan 0.000 0.486 299 V N -0.579 119.268 119.914 -0.112 0.000 2.515 299 V HA -0.163 3.958 4.120 0.001 0.000 0.250 299 V C 2.093 178.055 176.094 -0.220 0.000 1.058 299 V CA 1.800 64.022 62.300 -0.130 0.000 1.064 299 V CB -0.293 31.666 31.823 0.225 0.000 0.675 299 V HN 0.273 nan 8.190 nan 0.000 0.461 300 V N 0.258 120.036 119.914 -0.228 0.000 2.407 300 V HA -0.063 4.057 4.120 0.001 0.000 0.245 300 V C 2.758 178.619 176.094 -0.387 0.000 1.041 300 V CA 1.847 64.014 62.300 -0.220 0.000 1.040 300 V CB -0.642 31.117 31.823 -0.107 0.000 0.671 300 V HN 0.630 nan 8.190 nan 0.000 0.455 301 A N -0.107 122.321 122.820 -0.652 0.000 1.872 301 A HA -0.034 4.287 4.320 0.001 0.000 0.214 301 A C 2.405 179.636 177.584 -0.589 0.000 1.187 301 A CA 1.853 53.500 52.037 -0.650 0.000 0.614 301 A CB -0.770 17.632 19.000 -0.997 0.000 0.826 301 A HN 0.529 nan 8.150 nan 0.000 0.442 302 A N -0.829 121.479 122.820 -0.853 0.000 1.877 302 A HA -0.106 4.214 4.320 0.001 0.000 0.216 302 A C 2.322 179.447 177.584 -0.764 0.000 1.186 302 A CA 2.403 53.744 52.037 -1.160 0.000 0.620 302 A CB -1.421 16.235 19.000 -2.240 0.000 0.822 302 A HN 0.418 nan 8.150 nan 0.000 0.443 303 T N 0.201 114.464 114.554 -0.485 0.000 2.684 303 T HA -0.150 4.200 4.350 0.001 0.000 0.267 303 T C 1.783 176.257 174.700 -0.377 0.000 1.036 303 T CA 1.671 63.620 62.100 -0.252 0.000 1.148 303 T CB -0.376 68.341 68.868 -0.252 0.000 0.863 303 T HN 0.201 nan 8.240 nan 0.000 0.436 304 L N 1.040 122.067 121.223 -0.327 0.000 2.046 304 L HA -0.072 4.269 4.340 0.001 0.000 0.208 304 L C 2.643 179.398 176.870 -0.192 0.000 1.077 304 L CA 1.663 56.347 54.840 -0.259 0.000 0.747 304 L CB -0.825 41.114 42.059 -0.200 0.000 0.896 304 L HN 0.301 nan 8.230 nan 0.000 0.432 305 Q N -1.253 118.438 119.800 -0.182 0.000 2.226 305 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 305 Q C 1.595 177.571 176.000 -0.040 0.000 0.975 305 Q CA 1.558 57.302 55.803 -0.097 0.000 0.866 305 Q CB -0.049 28.620 28.738 -0.114 0.000 0.915 305 Q HN 0.458 nan 8.270 nan 0.000 0.440 306 D N -0.189 120.176 120.400 -0.058 0.000 2.249 306 D HA -0.009 4.631 4.640 0.001 0.000 0.205 306 D C 1.446 177.684 176.300 -0.103 0.000 0.962 306 D CA 0.550 54.562 54.000 0.021 0.000 0.860 306 D CB 0.219 41.153 40.800 0.223 0.000 0.955 306 D HN 0.168 nan 8.370 nan 0.000 0.505 307 I N -0.191 120.212 120.570 -0.278 0.000 2.333 307 I HA -0.130 4.041 4.170 0.001 0.000 0.246 307 I C 1.967 178.091 176.117 0.012 0.000 1.106 307 I CA 0.549 61.620 61.300 -0.382 0.000 1.411 307 I CB 0.020 37.624 38.000 -0.661 0.000 1.082 307 I HN -0.016 nan 8.210 nan 0.000 0.420 308 I N 0.312 120.946 120.570 0.107 0.000 2.394 308 I HA -0.259 3.912 4.170 0.001 0.000 0.251 308 I C 2.700 178.973 176.117 0.260 0.000 1.136 308 I CA 1.067 62.545 61.300 0.296 0.000 1.425 308 I CB -0.345 37.779 38.000 0.206 0.000 1.079 308 I HN 0.131 nan 8.210 nan 0.000 0.425 309 R N 0.831 121.419 120.500 0.146 0.000 2.080 309 R HA -0.176 4.164 4.340 0.001 0.000 0.236 309 R C 2.490 178.877 176.300 0.145 0.000 1.137 309 R CA 1.705 57.886 56.100 0.135 0.000 0.943 309 R CB -0.146 30.218 30.300 0.106 0.000 0.846 309 R HN 0.253 nan 8.270 nan 0.000 0.431 310 R N -0.772 119.808 120.500 0.134 0.000 2.096 310 R HA -0.156 4.185 4.340 0.001 0.000 0.235 310 R C 2.208 178.577 176.300 0.116 0.000 1.127 310 R CA 1.600 57.778 56.100 0.131 0.000 0.968 310 R CB -0.399 29.954 30.300 0.090 0.000 0.861 310 R HN 0.231 nan 8.270 nan 0.000 0.440 311 F N 1.962 121.929 119.950 0.029 0.000 2.134 311 F HA -0.200 4.328 4.527 0.001 0.000 0.299 311 F C 1.925 177.726 175.800 0.002 0.000 1.097 311 F CA 1.609 59.619 58.000 0.017 0.000 1.264 311 F CB 0.040 39.127 39.000 0.145 0.000 1.001 311 F HN -0.182 nan 8.300 nan 0.000 0.479 312 K N -0.446 119.980 120.400 0.044 0.000 2.057 312 K HA -0.019 4.301 4.320 0.001 0.000 0.206 312 K C 0.955 177.505 176.600 -0.083 0.000 1.050 312 K CA 1.192 57.431 56.287 -0.079 0.000 0.935 312 K CB -0.317 32.215 32.500 0.053 0.000 0.715 312 K HN 0.057 nan 8.250 nan 0.000 0.439 313 S N 2.056 117.763 115.700 0.012 0.000 4.120 313 S HA 0.066 4.536 4.470 0.001 0.000 0.196 313 S C -0.018 174.637 174.600 0.091 0.000 1.447 313 S CA -0.561 57.676 58.200 0.062 0.000 0.939 313 S CB 0.153 63.431 63.200 0.129 0.000 1.496 313 S HN 0.273 nan 8.310 nan 0.000 0.460 325 N N 1.126 119.784 118.700 -0.070 0.000 2.493 325 N HA 0.362 5.102 4.740 0.001 0.000 0.275 325 N C -0.331 175.194 175.510 0.025 0.000 1.186 325 N CA -1.222 51.841 53.050 0.022 0.000 0.978 325 N CB 0.761 39.300 38.487 0.087 0.000 1.184 325 N HN 0.620 nan 8.380 nan 0.000 0.487 326 F N -0.360 119.665 119.950 0.126 0.000 2.765 326 F HA 0.164 4.692 4.527 0.001 0.000 0.302 326 F C 1.295 177.135 175.800 0.068 0.000 1.111 326 F CA -0.360 57.676 58.000 0.061 0.000 1.359 326 F CB 0.127 39.006 39.000 -0.202 0.000 1.097 326 F HN 0.395 nan 8.300 nan 0.000 0.577 327 D N 1.090 121.618 120.400 0.213 0.000 2.157 327 D HA -0.275 4.365 4.640 0.001 0.000 0.191 327 D C 2.307 178.703 176.300 0.161 0.000 1.004 327 D CA 1.766 55.856 54.000 0.150 0.000 0.854 327 D CB -0.243 40.625 40.800 0.113 0.000 0.936 327 D HN 0.272 nan 8.370 nan 0.000 0.446 328 A N -0.795 122.167 122.820 0.236 0.000 2.119 328 A HA -0.022 4.299 4.320 0.001 0.000 0.216 328 A C 1.941 179.661 177.584 0.225 0.000 1.152 328 A CA 0.239 52.421 52.037 0.243 0.000 0.708 328 A CB -0.818 18.354 19.000 0.287 0.000 0.805 328 A HN 0.239 nan 8.150 nan 0.000 0.460 329 F N 1.560 121.448 119.950 -0.103 0.000 2.048 329 F HA -0.230 4.297 4.527 0.001 0.000 0.296 329 F C -0.707 174.993 175.800 -0.167 0.000 1.109 329 F CA 2.940 60.670 58.000 -0.449 0.000 1.214 329 F CB -0.705 37.998 39.000 -0.495 0.000 0.963 329 F HN 0.216 nan 8.300 nan 0.000 0.491 330 P HA -0.079 nan 4.420 nan 0.000 0.230 330 P C 0.592 177.864 177.300 -0.047 0.000 1.158 330 P CA 1.376 64.463 63.100 -0.023 0.000 0.769 330 P CB -0.090 31.612 31.700 0.003 0.000 0.807 331 D N -0.708 119.682 120.400 -0.016 0.000 2.323 331 D HA -0.023 4.618 4.640 0.001 0.000 0.209 331 D C 1.405 177.689 176.300 -0.026 0.000 0.973 331 D CA 0.957 54.953 54.000 -0.006 0.000 0.874 331 D CB 0.249 41.064 40.800 0.026 0.000 0.930 331 D HN 0.152 nan 8.370 nan 0.000 0.521 332 K N -0.517 119.848 120.400 -0.058 0.000 2.412 332 K HA 0.202 4.523 4.320 0.001 0.000 0.202 332 K C -0.350 176.150 176.600 -0.166 0.000 1.102 332 K CA 0.156 56.406 56.287 -0.062 0.000 1.027 332 K CB 1.934 34.490 32.500 0.093 0.000 0.931 332 K HN -0.175 nan 8.250 nan 0.000 0.557 333 V N 0.712 120.447 119.914 -0.298 0.000 2.760 333 V HA 0.755 4.875 4.120 0.001 0.000 0.309 333 V C -1.368 174.615 176.094 -0.185 0.000 1.077 333 V CA -1.218 60.889 62.300 -0.322 0.000 0.910 333 V CB 1.809 33.117 31.823 -0.857 0.000 1.008 333 V HN 0.067 nan 8.190 nan 0.000 0.424 334 A N 5.526 128.293 122.820 -0.087 0.000 2.356 334 A HA 0.918 5.238 4.320 0.001 0.000 0.310 334 A C -1.024 176.580 177.584 0.034 0.000 1.075 334 A CA -0.495 51.527 52.037 -0.026 0.000 0.746 334 A CB 1.099 20.043 19.000 -0.094 0.000 1.221 334 A HN 0.753 nan 8.150 nan 0.000 0.443 335 I N 2.305 122.933 120.570 0.097 0.000 2.355 335 I HA 0.277 4.447 4.170 0.001 0.000 0.288 335 I C -0.321 175.881 176.117 0.141 0.000 0.999 335 I CA -0.459 60.909 61.300 0.113 0.000 1.163 335 I CB 1.708 39.751 38.000 0.072 0.000 1.316 335 I HN 0.562 nan 8.210 nan 0.000 0.454 336 Q N 5.581 125.467 119.800 0.143 0.000 2.290 336 Q HA 0.456 4.797 4.340 0.001 0.000 0.259 336 Q C -1.176 174.837 176.000 0.022 0.000 0.941 336 Q CA -1.004 54.913 55.803 0.189 0.000 0.912 336 Q CB 2.536 31.487 28.738 0.356 0.000 1.244 336 Q HN 0.388 nan 8.270 nan 0.000 0.441 337 L N 3.500 124.770 121.223 0.078 0.000 2.265 337 L HA 0.266 4.607 4.340 0.001 0.000 0.289 337 L C 0.129 177.036 176.870 0.061 0.000 1.033 337 L CA -0.429 54.449 54.840 0.064 0.000 0.814 337 L CB 0.691 42.840 42.059 0.150 0.000 1.203 337 L HN 0.416 nan 8.230 nan 0.000 0.423 338 N N 3.671 122.330 118.700 -0.068 0.000 2.521 338 N HA 0.216 4.957 4.740 0.001 0.000 0.236 338 N C -0.260 175.259 175.510 0.014 0.000 1.067 338 N CA 0.345 53.387 53.050 -0.013 0.000 0.939 338 N CB 0.036 38.434 38.487 -0.149 0.000 1.201 338 N HN 0.539 nan 8.380 nan 0.000 0.511 339 D N -0.210 120.292 120.400 0.169 0.000 4.160 339 D HA -0.221 4.419 4.640 0.001 0.000 0.291 339 D C 0.521 176.885 176.300 0.106 0.000 2.226 339 D CA 1.611 55.684 54.000 0.122 0.000 1.157 339 D CB -0.453 40.158 40.800 -0.315 0.000 1.020 339 D HN 0.523 nan 8.370 nan 0.000 1.219 340 T N -2.888 111.627 114.554 -0.066 0.000 3.100 340 T HA 0.071 4.421 4.350 0.001 0.000 0.253 340 T C 1.613 176.328 174.700 0.026 0.000 1.118 340 T CA 1.572 63.638 62.100 -0.057 0.000 1.058 340 T CB -0.467 68.375 68.868 -0.044 0.000 0.953 340 T HN 0.533 nan 8.240 nan 0.000 0.515 341 H N 2.682 121.844 119.070 0.153 0.000 2.353 341 H HA 0.001 4.557 4.556 0.001 0.000 0.298 341 H C -0.762 174.665 175.328 0.165 0.000 1.103 341 H CA 1.170 57.329 56.048 0.185 0.000 1.293 341 H CB -1.460 28.410 29.762 0.180 0.000 1.372 341 H HN 0.434 nan 8.280 nan 0.000 0.501 342 P HA -0.015 nan 4.420 nan 0.000 0.249 342 P C 1.118 178.468 177.300 0.084 0.000 1.241 342 P CA 0.800 63.984 63.100 0.139 0.000 0.781 342 P CB 0.144 31.908 31.700 0.106 0.000 1.088 343 S N -0.017 115.723 115.700 0.067 0.000 2.420 343 S HA -0.180 4.290 4.470 0.001 0.000 0.237 343 S C 1.733 176.349 174.600 0.026 0.000 1.023 343 S CA 1.053 59.254 58.200 0.001 0.000 0.991 343 S CB -1.656 61.520 63.200 -0.040 0.000 0.792 343 S HN 0.167 nan 8.310 nan 0.000 0.488 344 L N 0.967 122.229 121.223 0.064 0.000 2.450 344 L HA 0.014 4.355 4.340 0.001 0.000 0.224 344 L C 2.972 179.887 176.870 0.075 0.000 1.149 344 L CA 0.616 55.498 54.840 0.070 0.000 0.816 344 L CB -0.826 41.282 42.059 0.082 0.000 0.932 344 L HN 0.482 nan 8.230 nan 0.000 0.449 345 A N 0.676 123.518 122.820 0.036 0.000 1.940 345 A HA -0.208 4.112 4.320 0.001 0.000 0.219 345 A C 2.181 179.759 177.584 -0.009 0.000 1.176 345 A CA 1.552 53.589 52.037 0.000 0.000 0.631 345 A CB -0.462 18.529 19.000 -0.015 0.000 0.814 345 A HN 0.367 nan 8.150 nan 0.000 0.446 346 I N 0.262 120.831 120.570 -0.003 0.000 2.090 346 I HA -0.147 4.023 4.170 0.001 0.000 0.236 346 I C -0.343 175.786 176.117 0.020 0.000 1.064 346 I CA 1.562 62.854 61.300 -0.014 0.000 1.324 346 I CB -1.118 36.876 38.000 -0.009 0.000 1.044 346 I HN 0.230 nan 8.210 nan 0.000 0.399 347 P HA -0.196 nan 4.420 nan 0.000 0.218 347 P C 1.277 178.602 177.300 0.042 0.000 1.149 347 P CA 1.612 64.754 63.100 0.071 0.000 0.817 347 P CB -0.004 31.766 31.700 0.117 0.000 0.785 348 E N 0.150 120.428 120.200 0.130 0.000 2.072 348 E HA -0.143 4.207 4.350 0.001 0.000 0.190 348 E C 1.945 178.523 176.600 -0.036 0.000 0.982 348 E CA 0.596 57.088 56.400 0.153 0.000 0.803 348 E CB -1.266 28.597 29.700 0.272 0.000 0.755 348 E HN -0.024 nan 8.360 nan 0.000 0.453 349 L N 0.078 121.247 121.223 -0.090 0.000 2.042 349 L HA -0.138 4.202 4.340 0.001 0.000 0.210 349 L C 2.121 178.837 176.870 -0.256 0.000 1.076 349 L CA 1.803 56.523 54.840 -0.200 0.000 0.749 349 L CB -0.522 41.416 42.059 -0.202 0.000 0.893 349 L HN 0.263 nan 8.230 nan 0.000 0.432 350 M N -1.064 118.416 119.600 -0.201 0.000 2.159 350 M HA -0.188 4.292 4.480 0.001 0.000 0.263 350 M C 2.413 178.566 176.300 -0.244 0.000 1.063 350 M CA 1.469 56.620 55.300 -0.248 0.000 1.110 350 M CB -1.154 31.337 32.600 -0.182 0.000 1.374 350 M HN 0.339 nan 8.290 nan 0.000 0.411 351 R N 0.091 120.463 120.500 -0.212 0.000 2.070 351 R HA -0.109 4.231 4.340 0.001 0.000 0.233 351 R C 2.116 178.304 176.300 -0.187 0.000 1.137 351 R CA 1.498 57.462 56.100 -0.227 0.000 0.945 351 R CB -0.211 29.891 30.300 -0.330 0.000 0.845 351 R HN 0.167 nan 8.270 nan 0.000 0.430 352 V N 1.722 121.529 119.914 -0.178 0.000 2.255 352 V HA -0.291 3.829 4.120 0.001 0.000 0.247 352 V C 2.480 178.409 176.094 -0.275 0.000 1.051 352 V CA 1.935 64.120 62.300 -0.190 0.000 1.018 352 V CB -0.459 31.244 31.823 -0.200 0.000 0.641 352 V HN 0.365 nan 8.190 nan 0.000 0.445 353 L N -0.680 120.313 121.223 -0.383 0.000 2.046 353 L HA -0.163 4.178 4.340 0.001 0.000 0.208 353 L C 2.362 179.047 176.870 -0.309 0.000 1.077 353 L CA 1.258 55.811 54.840 -0.479 0.000 0.747 353 L CB -0.540 41.176 42.059 -0.572 0.000 0.896 353 L HN 0.228 nan 8.230 nan 0.000 0.432 354 V N -0.645 119.124 119.914 -0.241 0.000 2.331 354 V HA -0.168 3.953 4.120 0.001 0.000 0.242 354 V C 1.946 177.982 176.094 -0.097 0.000 1.034 354 V CA 1.670 63.880 62.300 -0.150 0.000 1.027 354 V CB -0.336 31.414 31.823 -0.120 0.000 0.667 354 V HN 0.386 nan 8.190 nan 0.000 0.457 355 D N -0.201 120.137 120.400 -0.104 0.000 2.162 355 D HA -0.029 4.611 4.640 0.001 0.000 0.205 355 D C 1.964 178.227 176.300 -0.062 0.000 0.964 355 D CA 0.797 54.751 54.000 -0.075 0.000 0.847 355 D CB -0.007 40.744 40.800 -0.081 0.000 0.988 355 D HN 0.195 nan 8.370 nan 0.000 0.480 356 L N 1.064 122.241 121.223 -0.078 0.000 2.062 356 L HA 0.006 4.346 4.340 0.001 0.000 0.202 356 L C 2.044 178.887 176.870 -0.045 0.000 1.079 356 L CA 1.414 56.221 54.840 -0.055 0.000 0.755 356 L CB -0.851 41.173 42.059 -0.058 0.000 0.913 356 L HN -0.109 nan 8.230 nan 0.000 0.445 357 E N -0.212 119.934 120.200 -0.089 0.000 2.482 357 E HA -0.095 4.256 4.350 0.001 0.000 0.196 357 E C 0.508 177.096 176.600 -0.021 0.000 1.047 357 E CA 0.000 56.375 56.400 -0.042 0.000 0.869 357 E CB -0.001 29.602 29.700 -0.163 0.000 0.836 357 E HN 0.150 nan 8.360 nan 0.000 0.520 358 R N -0.100 120.369 120.500 -0.050 0.000 3.770 358 R HA -0.159 4.181 4.340 0.001 0.000 0.305 358 R C -0.373 175.919 176.300 -0.014 0.000 1.184 358 R CA 0.190 56.277 56.100 -0.022 0.000 0.823 358 R CB -2.189 28.115 30.300 0.006 0.000 1.285 358 R HN 0.140 nan 8.270 nan 0.000 0.499 359 L N 0.582 121.773 121.223 -0.054 0.000 2.464 359 L HA 0.134 4.475 4.340 0.001 0.000 0.264 359 L C 1.031 177.890 176.870 -0.018 0.000 1.199 359 L CA 0.359 55.176 54.840 -0.039 0.000 0.818 359 L CB 0.338 42.334 42.059 -0.106 0.000 1.102 359 L HN 0.305 nan 8.230 nan 0.000 0.473 360 D N -0.936 119.478 120.400 0.023 0.000 2.313 360 D HA -0.020 4.621 4.640 0.001 0.000 0.247 360 D C 0.659 177.022 176.300 0.104 0.000 1.094 360 D CA -0.578 53.468 54.000 0.076 0.000 0.925 360 D CB 0.768 41.623 40.800 0.091 0.000 1.188 360 D HN 0.463 nan 8.370 nan 0.000 0.430 361 W N 1.195 122.500 121.300 0.008 0.000 2.302 361 W HA -0.243 4.417 4.660 0.001 0.000 0.320 361 W C 1.474 178.038 176.519 0.075 0.000 1.241 361 W CA 2.142 59.501 57.345 0.022 0.000 1.264 361 W CB -0.284 29.175 29.460 -0.002 0.000 1.154 361 W HN 0.600 nan 8.180 nan 0.000 0.483 362 D N -0.707 119.931 120.400 0.396 0.000 2.123 362 D HA -0.247 4.394 4.640 0.001 0.000 0.196 362 D C 1.912 178.324 176.300 0.187 0.000 0.992 362 D CA 1.946 56.146 54.000 0.333 0.000 0.833 362 D CB -0.330 40.619 40.800 0.249 0.000 0.954 362 D HN -0.001 nan 8.370 nan 0.000 0.455 363 K N 0.625 121.084 120.400 0.098 0.000 2.057 363 K HA 0.022 4.342 4.320 0.001 0.000 0.206 363 K C 1.824 178.395 176.600 -0.048 0.000 1.050 363 K CA 1.278 57.586 56.287 0.035 0.000 0.935 363 K CB -0.369 32.149 32.500 0.031 0.000 0.715 363 K HN 0.067 nan 8.250 nan 0.000 0.439 364 A N 0.660 123.402 122.820 -0.130 0.000 1.902 364 A HA -0.189 4.131 4.320 0.001 0.000 0.217 364 A C 2.193 179.625 177.584 -0.254 0.000 1.181 364 A CA 1.461 53.340 52.037 -0.263 0.000 0.623 364 A CB -1.200 17.579 19.000 -0.368 0.000 0.818 364 A HN 0.704 nan 8.150 nan 0.000 0.443 365 W N 0.759 121.788 121.300 -0.451 0.000 2.358 365 W HA -0.213 4.448 4.660 0.001 0.000 0.303 365 W C 1.965 178.398 176.519 -0.142 0.000 1.208 365 W CA 2.033 59.157 57.345 -0.368 0.000 1.274 365 W CB -0.232 29.016 29.460 -0.352 0.000 1.138 365 W HN 0.615 nan 8.180 nan 0.000 0.515 366 E N 0.138 120.315 120.200 -0.038 0.000 2.049 366 E HA -0.261 4.089 4.350 0.001 0.000 0.198 366 E C 2.041 178.545 176.600 -0.160 0.000 1.007 366 E CA 2.543 58.898 56.400 -0.074 0.000 0.809 366 E CB -0.495 29.219 29.700 0.023 0.000 0.749 366 E HN 0.040 nan 8.360 nan 0.000 0.450 367 V N 0.337 120.158 119.914 -0.155 0.000 2.427 367 V HA -0.233 3.888 4.120 0.001 0.000 0.248 367 V C 2.319 178.308 176.094 -0.175 0.000 1.051 367 V CA 2.109 64.327 62.300 -0.136 0.000 1.048 367 V CB -0.550 31.177 31.823 -0.161 0.000 0.666 367 V HN 0.420 nan 8.190 nan 0.000 0.456 368 T N -0.272 114.097 114.554 -0.309 0.000 2.701 368 T HA -0.158 4.192 4.350 0.001 0.000 0.263 368 T C 1.971 176.467 174.700 -0.340 0.000 1.040 368 T CA 1.657 63.552 62.100 -0.341 0.000 1.147 368 T CB -0.209 68.382 68.868 -0.461 0.000 0.865 368 T HN 0.251 nan 8.240 nan 0.000 0.426 369 V N 1.904 121.501 119.914 -0.529 0.000 2.282 369 V HA -0.217 3.903 4.120 0.001 0.000 0.249 369 V C 2.386 178.444 176.094 -0.059 0.000 1.057 369 V CA 1.699 63.770 62.300 -0.382 0.000 1.032 369 V CB -0.492 31.059 31.823 -0.454 0.000 0.645 369 V HN 0.525 nan 8.190 nan 0.000 0.447 370 K N -0.592 119.750 120.400 -0.097 0.000 2.283 370 K HA -0.088 4.232 4.320 0.001 0.000 0.202 370 K C 2.021 178.607 176.600 -0.023 0.000 1.048 370 K CA 1.558 57.759 56.287 -0.143 0.000 0.948 370 K CB -0.292 32.112 32.500 -0.160 0.000 0.742 370 K HN 0.493 nan 8.250 nan 0.000 0.458 371 T N 0.628 115.224 114.554 0.070 0.000 2.937 371 T HA 0.001 4.351 4.350 0.001 0.000 0.260 371 T C 1.130 175.947 174.700 0.194 0.000 1.051 371 T CA 0.430 62.602 62.100 0.120 0.000 1.141 371 T CB 0.037 68.992 68.868 0.145 0.000 0.879 371 T HN 0.175 nan 8.240 nan 0.000 0.459 372 C N 2.211 121.608 119.300 0.162 0.000 2.405 372 C HA 0.875 5.335 4.460 0.001 0.000 0.365 372 C C 0.552 175.574 174.990 0.052 0.000 1.233 372 C CA -1.136 57.942 59.018 0.100 0.000 2.230 372 C CB 0.174 27.914 27.740 0.001 0.000 2.443 372 C HN 0.605 nan 8.230 nan 0.000 0.556 373 A N 1.963 124.816 122.820 0.054 0.000 2.486 373 A HA 0.715 5.035 4.320 0.001 0.000 0.300 373 A C -1.614 176.042 177.584 0.120 0.000 1.048 373 A CA -0.372 51.650 52.037 -0.026 0.000 0.696 373 A CB 1.028 20.003 19.000 -0.042 0.000 1.278 373 A HN 0.882 nan 8.150 nan 0.000 0.405 374 Y N 1.194 121.449 120.300 -0.074 0.000 2.352 374 Y HA 0.676 5.226 4.550 0.001 0.000 0.339 374 Y C -0.470 175.435 175.900 0.010 0.000 0.992 374 Y CA -0.658 57.418 58.100 -0.039 0.000 1.100 374 Y CB 1.938 40.332 38.460 -0.110 0.000 1.192 374 Y HN 0.525 nan 8.280 nan 0.000 0.458 375 T N 7.111 121.555 114.554 -0.183 0.000 2.788 375 T HA 0.204 4.555 4.350 0.001 0.000 0.296 375 T C -0.515 173.905 174.700 -0.467 0.000 1.009 375 T CA -0.764 61.177 62.100 -0.264 0.000 0.949 375 T CB 0.088 69.042 68.868 0.144 0.000 0.946 375 T HN 0.648 nan 8.240 nan 0.000 0.453 376 N N 1.699 120.003 118.700 -0.659 0.000 2.518 376 N HA 0.139 4.880 4.740 0.001 0.000 0.283 376 N C -0.102 175.389 175.510 -0.032 0.000 1.119 376 N CA -0.042 52.858 53.050 -0.250 0.000 0.983 376 N CB 0.857 39.272 38.487 -0.121 0.000 1.139 376 N HN 0.636 nan 8.380 nan 0.000 0.465 377 H N -0.807 118.333 119.070 0.116 0.000 3.360 377 H HA 0.137 4.693 4.556 0.001 0.000 0.262 377 H C -0.248 175.042 175.328 -0.064 0.000 1.149 377 H CA -0.073 55.992 56.048 0.028 0.000 1.181 377 H CB 0.680 30.448 29.762 0.011 0.000 1.564 377 H HN 0.531 nan 8.280 nan 0.000 0.565 378 T N -1.849 112.796 114.554 0.152 0.000 2.837 378 T HA 0.311 4.661 4.350 0.001 0.000 0.285 378 T C 0.871 175.612 174.700 0.067 0.000 0.984 378 T CA -0.553 61.588 62.100 0.069 0.000 1.049 378 T CB 2.125 71.050 68.868 0.096 0.000 0.947 378 T HN 0.014 nan 8.240 nan 0.000 0.472 379 V N 2.768 122.654 119.914 -0.047 0.000 3.523 379 V HA 0.441 4.562 4.120 0.001 0.000 0.255 379 V C 0.469 176.526 176.094 -0.062 0.000 1.226 379 V CA -0.055 62.228 62.300 -0.027 0.000 1.092 379 V CB -0.284 31.482 31.823 -0.095 0.000 0.817 379 V HN 0.897 nan 8.190 nan 0.000 0.458 380 I N 1.995 122.515 120.570 -0.084 0.000 2.342 380 I HA 0.293 4.463 4.170 0.001 0.000 0.291 380 I C -1.310 174.769 176.117 -0.064 0.000 1.010 380 I CA -1.607 59.644 61.300 -0.082 0.000 1.308 380 I CB 1.872 39.812 38.000 -0.100 0.000 1.400 380 I HN 0.127 nan 8.210 nan 0.000 0.488 381 P HA -0.127 nan 4.420 nan 0.000 0.220 381 P C 0.434 177.709 177.300 -0.041 0.000 1.148 381 P CA 1.051 64.109 63.100 -0.069 0.000 0.803 381 P CB 0.171 31.833 31.700 -0.064 0.000 0.782 382 E N -0.617 119.562 120.200 -0.036 0.000 2.489 382 E HA 0.177 4.527 4.350 0.001 0.000 0.193 382 E C 1.577 178.158 176.600 -0.031 0.000 1.057 382 E CA 0.379 56.760 56.400 -0.031 0.000 0.866 382 E CB -0.703 28.982 29.700 -0.025 0.000 0.916 382 E HN 0.145 nan 8.360 nan 0.000 0.500 383 A N 0.660 123.464 122.820 -0.026 0.000 2.275 383 A HA 0.159 4.479 4.320 0.001 0.000 0.212 383 A C 0.313 177.897 177.584 -0.000 0.000 1.201 383 A CA -0.227 51.800 52.037 -0.017 0.000 0.843 383 A CB -0.014 18.975 19.000 -0.018 0.000 0.873 383 A HN 0.104 nan 8.150 nan 0.000 0.492 384 L N 0.822 122.044 121.223 -0.001 0.000 2.416 384 L HA 0.189 4.529 4.340 0.001 0.000 0.272 384 L C 0.707 177.546 176.870 -0.051 0.000 1.161 384 L CA 0.008 54.858 54.840 0.017 0.000 0.845 384 L CB 0.280 42.359 42.059 0.032 0.000 1.119 384 L HN 0.440 nan 8.230 nan 0.000 0.464 385 E N 3.768 123.935 120.200 -0.055 0.000 2.324 385 E HA 0.269 4.620 4.350 0.001 0.000 0.271 385 E C -0.664 175.792 176.600 -0.241 0.000 1.028 385 E CA -0.239 56.056 56.400 -0.176 0.000 0.890 385 E CB 0.515 30.160 29.700 -0.092 0.000 1.004 385 E HN 0.423 nan 8.360 nan 0.000 0.431 386 R N 3.613 123.874 120.500 -0.399 0.000 2.673 386 R HA 0.414 4.754 4.340 0.001 0.000 0.281 386 R C -1.521 174.494 176.300 -0.475 0.000 0.991 386 R CA -0.628 55.294 56.100 -0.298 0.000 0.896 386 R CB 1.425 31.628 30.300 -0.162 0.000 1.201 386 R HN 0.494 nan 8.270 nan 0.000 0.457 387 W N 2.699 123.998 121.300 -0.002 0.000 2.736 387 W HA 0.420 5.081 4.660 0.001 0.000 0.335 387 W C -2.182 174.330 176.519 -0.010 0.000 1.059 387 W CA -2.261 55.077 57.345 -0.013 0.000 1.226 387 W CB 1.544 30.986 29.460 -0.029 0.000 1.416 387 W HN 0.317 nan 8.180 nan 0.000 0.505 388 P HA -0.061 nan 4.420 nan 0.000 0.268 388 P C 0.832 178.203 177.300 0.118 0.000 1.205 388 P CA 0.019 63.231 63.100 0.186 0.000 0.771 388 P CB 0.794 32.608 31.700 0.191 0.000 0.858 389 V N 1.626 121.639 119.914 0.165 0.000 2.490 389 V HA -0.276 3.844 4.120 0.001 0.000 0.250 389 V C 1.852 178.009 176.094 0.105 0.000 1.061 389 V CA 2.274 64.649 62.300 0.125 0.000 1.064 389 V CB -2.091 29.844 31.823 0.187 0.000 0.670 389 V HN 0.696 nan 8.190 nan 0.000 0.461 390 H N -0.889 118.232 119.070 0.085 0.000 2.470 390 H HA 0.139 4.695 4.556 0.001 0.000 0.289 390 H C 2.079 177.448 175.328 0.068 0.000 1.033 390 H CA 1.355 57.449 56.048 0.076 0.000 1.331 390 H CB -0.336 29.470 29.762 0.074 0.000 1.414 390 H HN 0.397 nan 8.280 nan 0.000 0.545 391 L N -0.205 120.623 121.223 -0.658 0.000 2.017 391 L HA -0.131 4.209 4.340 0.001 0.000 0.208 391 L C 2.031 178.783 176.870 -0.196 0.000 1.073 391 L CA 0.777 55.389 54.840 -0.380 0.000 0.745 391 L CB -0.203 41.666 42.059 -0.316 0.000 0.894 391 L HN 0.320 nan 8.230 nan 0.000 0.432 392 L N 0.027 121.155 121.223 -0.157 0.000 2.046 392 L HA -0.243 4.097 4.340 0.001 0.000 0.208 392 L C 2.415 179.227 176.870 -0.097 0.000 1.077 392 L CA 1.687 56.437 54.840 -0.150 0.000 0.747 392 L CB -0.736 41.251 42.059 -0.120 0.000 0.896 392 L HN 0.295 nan 8.230 nan 0.000 0.432 393 E N -1.515 118.666 120.200 -0.032 0.000 2.085 393 E HA -0.213 4.138 4.350 0.001 0.000 0.194 393 E C 1.809 178.447 176.600 0.063 0.000 0.994 393 E CA 1.855 58.273 56.400 0.030 0.000 0.801 393 E CB 0.112 29.867 29.700 0.092 0.000 0.743 393 E HN 0.499 nan 8.360 nan 0.000 0.453 394 T N 0.811 115.412 114.554 0.078 0.000 2.770 394 T HA -0.103 4.247 4.350 0.001 0.000 0.263 394 T C 1.766 176.578 174.700 0.187 0.000 1.039 394 T CA 0.845 63.044 62.100 0.165 0.000 1.142 394 T CB -0.145 68.837 68.868 0.190 0.000 0.868 394 T HN 0.079 nan 8.240 nan 0.000 0.435 395 L N -0.238 120.989 121.223 0.007 0.000 2.162 395 L HA 0.277 4.617 4.340 0.001 0.000 0.205 395 L C 0.131 176.969 176.870 -0.053 0.000 1.086 395 L CA 1.325 56.060 54.840 -0.175 0.000 0.778 395 L CB 0.101 42.001 42.059 -0.264 0.000 0.928 395 L HN 0.115 nan 8.230 nan 0.000 0.446 396 L N 0.747 121.903 121.223 -0.110 0.000 2.625 396 L HA 0.346 4.686 4.340 0.001 0.000 0.255 396 L C -1.748 174.985 176.870 -0.229 0.000 1.493 396 L CA -1.200 53.501 54.840 -0.232 0.000 0.796 396 L CB 0.493 42.264 42.059 -0.480 0.000 1.064 396 L HN -0.031 nan 8.230 nan 0.000 0.516 397 P HA -0.201 nan 4.420 nan 0.000 0.215 397 P C 1.571 178.726 177.300 -0.241 0.000 1.153 397 P CA 1.098 64.125 63.100 -0.121 0.000 0.853 397 P CB 0.494 32.202 31.700 0.013 0.000 0.788 398 R N -0.263 119.922 120.500 -0.526 0.000 2.115 398 R HA -0.135 4.206 4.340 0.001 0.000 0.230 398 R C 2.477 178.482 176.300 -0.491 0.000 1.111 398 R CA 1.441 57.210 56.100 -0.551 0.000 0.976 398 R CB -1.316 28.460 30.300 -0.875 0.000 0.870 398 R HN 0.289 nan 8.270 nan 0.000 0.445 399 H N -0.194 118.577 119.070 -0.497 0.000 2.491 399 H HA -0.072 4.484 4.556 0.001 0.000 0.290 399 H C 1.828 176.996 175.328 -0.266 0.000 1.050 399 H CA 1.293 57.127 56.048 -0.356 0.000 1.309 399 H CB 0.164 29.679 29.762 -0.412 0.000 1.392 399 H HN 0.246 nan 8.280 nan 0.000 0.554 400 L N 0.661 121.782 121.223 -0.171 0.000 2.068 400 L HA -0.164 4.176 4.340 0.001 0.000 0.204 400 L C 2.308 179.030 176.870 -0.245 0.000 1.076 400 L CA 1.080 55.765 54.840 -0.257 0.000 0.753 400 L CB -0.172 41.773 42.059 -0.191 0.000 0.910 400 L HN 0.269 nan 8.230 nan 0.000 0.439 401 Q N -0.116 119.646 119.800 -0.064 0.000 2.077 401 Q HA -0.267 4.073 4.340 0.001 0.000 0.206 401 Q C 2.166 178.199 176.000 0.056 0.000 0.989 401 Q CA 1.916 57.763 55.803 0.072 0.000 0.853 401 Q CB -0.135 28.640 28.738 0.061 0.000 0.907 401 Q HN 0.522 nan 8.270 nan 0.000 0.418 402 I N 0.240 120.802 120.570 -0.013 0.000 2.226 402 I HA -0.293 3.877 4.170 0.001 0.000 0.245 402 I C 2.160 178.324 176.117 0.079 0.000 1.100 402 I CA 1.054 62.391 61.300 0.061 0.000 1.374 402 I CB -0.173 37.819 38.000 -0.014 0.000 1.057 402 I HN 0.228 nan 8.210 nan 0.000 0.413 403 I N -0.421 120.134 120.570 -0.024 0.000 2.179 403 I HA -0.338 3.833 4.170 0.001 0.000 0.242 403 I C 2.429 178.553 176.117 0.011 0.000 1.088 403 I CA 1.581 62.857 61.300 -0.040 0.000 1.357 403 I CB -0.413 37.501 38.000 -0.143 0.000 1.051 403 I HN 0.152 nan 8.210 nan 0.000 0.409 404 Y N 0.723 121.040 120.300 0.030 0.000 2.181 404 Y HA -0.274 4.276 4.550 0.001 0.000 0.288 404 Y C 2.586 178.469 175.900 -0.028 0.000 1.146 404 Y CA 1.451 59.557 58.100 0.010 0.000 1.164 404 Y CB -0.792 37.667 38.460 -0.001 0.000 0.982 404 Y HN 0.163 nan 8.280 nan 0.000 0.515 405 E N 0.431 120.701 120.200 0.117 0.000 2.077 405 E HA -0.167 4.184 4.350 0.001 0.000 0.193 405 E C 2.116 178.640 176.600 -0.127 0.000 0.989 405 E CA 1.353 57.706 56.400 -0.077 0.000 0.800 405 E CB -0.569 29.062 29.700 -0.115 0.000 0.746 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.575 121.177 120.570 0.053 0.000 2.163 406 I HA -0.306 3.865 4.170 0.001 0.000 0.243 406 I C 2.265 178.382 176.117 0.000 0.000 1.085 406 I CA 1.408 62.705 61.300 -0.005 0.000 1.347 406 I CB -0.370 37.655 38.000 0.042 0.000 1.044 406 I HN 0.194 nan 8.210 nan 0.000 0.408 407 N N 0.663 119.416 118.700 0.089 0.000 2.069 407 N HA -0.278 4.462 4.740 0.001 0.000 0.191 407 N C 1.851 177.452 175.510 0.151 0.000 1.031 407 N CA 1.685 54.842 53.050 0.179 0.000 0.852 407 N CB -0.172 38.439 38.487 0.208 0.000 1.018 407 N HN 0.301 nan 8.380 nan 0.000 0.423 408 Q N -0.029 119.801 119.800 0.051 0.000 2.045 408 Q HA -0.159 4.182 4.340 0.001 0.000 0.206 408 Q C 1.972 177.940 176.000 -0.054 0.000 0.991 408 Q CA 1.767 57.558 55.803 -0.020 0.000 0.851 408 Q CB -0.013 28.673 28.738 -0.088 0.000 0.911 408 Q HN 0.402 nan 8.270 nan 0.000 0.418 409 R N -0.690 119.730 120.500 -0.133 0.000 2.115 409 R HA -0.114 4.226 4.340 0.001 0.000 0.230 409 R C 2.200 178.496 176.300 -0.007 0.000 1.111 409 R CA 1.004 57.015 56.100 -0.149 0.000 0.976 409 R CB -0.456 29.649 30.300 -0.325 0.000 0.870 409 R HN 0.301 nan 8.270 nan 0.000 0.445 410 F N 1.845 121.742 119.950 -0.088 0.000 2.134 410 F HA -0.105 4.422 4.527 0.001 0.000 0.299 410 F C 1.896 177.720 175.800 0.041 0.000 1.097 410 F CA 1.289 59.301 58.000 0.021 0.000 1.264 410 F CB -0.124 38.925 39.000 0.082 0.000 1.001 410 F HN -0.121 nan 8.300 nan 0.000 0.479 411 L N -0.480 120.731 121.223 -0.020 0.000 2.240 411 L HA -0.127 4.213 4.340 0.001 0.000 0.211 411 L C 1.785 178.588 176.870 -0.112 0.000 1.106 411 L CA 0.982 55.761 54.840 -0.102 0.000 0.793 411 L CB -0.691 41.377 42.059 0.015 0.000 0.927 411 L HN 0.117 nan 8.230 nan 0.000 0.446 412 N N 0.014 118.663 118.700 -0.084 0.000 2.244 412 N HA -0.118 4.623 4.740 0.001 0.000 0.183 412 N C 1.866 177.327 175.510 -0.080 0.000 1.016 412 N CA 0.833 53.840 53.050 -0.072 0.000 0.866 412 N CB 0.015 38.464 38.487 -0.064 0.000 0.980 412 N HN 0.171 nan 8.380 nan 0.000 0.430 413 R N 0.154 120.591 120.500 -0.106 0.000 2.073 413 R HA -0.050 4.291 4.340 0.001 0.000 0.234 413 R C 1.927 178.153 176.300 -0.123 0.000 1.134 413 R CA 1.083 57.123 56.100 -0.100 0.000 0.952 413 R CB -0.513 29.733 30.300 -0.090 0.000 0.850 413 R HN 0.082 nan 8.270 nan 0.000 0.433 414 V N 1.002 120.790 119.914 -0.210 0.000 2.332 414 V HA -0.264 3.857 4.120 0.001 0.000 0.248 414 V C 2.418 178.524 176.094 0.020 0.000 1.055 414 V CA 1.999 64.233 62.300 -0.110 0.000 1.038 414 V CB -0.776 30.898 31.823 -0.248 0.000 0.651 414 V HN 0.430 nan 8.190 nan 0.000 0.450 415 A N 0.034 122.834 122.820 -0.033 0.000 1.898 415 A HA -0.059 4.262 4.320 0.001 0.000 0.216 415 A C 2.401 179.976 177.584 -0.014 0.000 1.181 415 A CA 1.948 53.981 52.037 -0.006 0.000 0.620 415 A CB -0.726 18.258 19.000 -0.026 0.000 0.819 415 A HN 0.574 nan 8.150 nan 0.000 0.442 416 A N -0.524 122.270 122.820 -0.044 0.000 2.015 416 A HA 0.271 4.592 4.320 0.001 0.000 0.219 416 A C 2.355 179.873 177.584 -0.109 0.000 1.163 416 A CA 1.795 53.795 52.037 -0.061 0.000 0.646 416 A CB -0.645 18.322 19.000 -0.055 0.000 0.806 416 A HN 0.933 nan 8.150 nan 0.000 0.448 417 A N -1.398 121.332 122.820 -0.150 0.000 1.935 417 A HA 0.405 4.726 4.320 0.001 0.000 0.214 417 A C 0.358 177.554 177.584 -0.647 0.000 1.178 417 A CA 0.432 52.237 52.037 -0.386 0.000 0.640 417 A CB -0.101 18.652 19.000 -0.412 0.000 0.825 417 A HN 0.407 nan 8.150 nan 0.000 0.447 418 F N 0.397 120.307 119.950 -0.067 0.000 2.552 418 F HA 0.396 4.923 4.527 0.001 0.000 0.369 418 F C -2.771 172.997 175.800 -0.054 0.000 1.112 418 F CA -2.653 55.312 58.000 -0.059 0.000 1.129 418 F CB 1.226 40.185 39.000 -0.069 0.000 1.360 418 F HN -0.067 nan 8.300 nan 0.000 0.473 419 P HA 0.225 nan 4.420 nan 0.000 0.271 419 P C 0.963 178.291 177.300 0.047 0.000 1.216 419 P CA 0.535 63.656 63.100 0.035 0.000 0.776 419 P CB 1.126 32.828 31.700 0.003 0.000 0.881 420 G N 1.861 110.677 108.800 0.027 0.000 2.220 420 G HA2 -0.267 3.694 3.960 0.001 0.000 0.269 420 G HA3 -0.267 3.694 3.960 0.001 0.000 0.269 420 G C 0.336 175.246 174.900 0.017 0.000 0.977 420 G CA 0.198 45.309 45.100 0.018 0.000 0.634 420 G HN 0.632 nan 8.290 nan 0.000 0.539 421 D N 1.161 121.579 120.400 0.029 0.000 2.455 421 D HA 0.403 5.044 4.640 0.001 0.000 0.234 421 D C 1.855 178.141 176.300 -0.022 0.000 1.224 421 D CA 0.333 54.332 54.000 -0.001 0.000 0.999 421 D CB 0.584 41.376 40.800 -0.014 0.000 1.072 421 D HN 0.122 nan 8.370 nan 0.000 0.514 422 V N 3.293 123.196 119.914 -0.018 0.000 2.255 422 V HA -0.219 3.901 4.120 0.001 0.000 0.247 422 V C 1.999 178.079 176.094 -0.024 0.000 1.051 422 V CA 1.444 63.734 62.300 -0.017 0.000 1.018 422 V CB -0.248 31.569 31.823 -0.010 0.000 0.641 422 V HN 0.469 nan 8.190 nan 0.000 0.445 423 D N -0.466 119.915 120.400 -0.031 0.000 2.144 423 D HA -0.139 4.502 4.640 0.001 0.000 0.200 423 D C 2.334 178.602 176.300 -0.053 0.000 0.978 423 D CA 1.061 55.042 54.000 -0.031 0.000 0.833 423 D CB -0.176 40.606 40.800 -0.030 0.000 0.961 423 D HN 0.330 nan 8.370 nan 0.000 0.470 424 R N 0.504 120.946 120.500 -0.097 0.000 2.103 424 R HA -0.139 4.202 4.340 0.001 0.000 0.242 424 R C 2.280 178.501 176.300 -0.131 0.000 1.142 424 R CA 0.786 56.786 56.100 -0.166 0.000 0.960 424 R CB -0.173 29.960 30.300 -0.279 0.000 0.858 424 R HN 0.112 nan 8.270 nan 0.000 0.439 425 L N 1.108 122.283 121.223 -0.080 0.000 2.012 425 L HA -0.221 4.119 4.340 0.001 0.000 0.210 425 L C 2.547 179.424 176.870 0.011 0.000 1.073 425 L CA 2.186 57.003 54.840 -0.040 0.000 0.748 425 L CB -1.032 41.014 42.059 -0.020 0.000 0.891 425 L HN 0.390 nan 8.230 nan 0.000 0.431 426 R N -0.645 119.866 120.500 0.019 0.000 2.153 426 R HA -0.056 4.285 4.340 0.001 0.000 0.218 426 R C 2.096 178.453 176.300 0.094 0.000 1.072 426 R CA 0.595 56.731 56.100 0.059 0.000 0.990 426 R CB -0.411 29.917 30.300 0.045 0.000 0.889 426 R HN 0.185 nan 8.270 nan 0.000 0.452 427 R N 0.150 120.686 120.500 0.060 0.000 2.189 427 R HA 0.120 4.461 4.340 0.001 0.000 0.218 427 R C 1.607 178.016 176.300 0.181 0.000 1.074 427 R CA 1.308 57.472 56.100 0.107 0.000 0.991 427 R CB -0.042 30.275 30.300 0.029 0.000 0.883 427 R HN 0.333 nan 8.270 nan 0.000 0.457 428 M N -0.448 119.198 119.600 0.077 0.000 2.337 428 M HA 0.088 4.568 4.480 0.001 0.000 0.256 428 M C 0.547 177.063 176.300 0.361 0.000 1.075 428 M CA -0.123 55.190 55.300 0.021 0.000 1.024 428 M CB 0.955 33.391 32.600 -0.274 0.000 1.429 428 M HN -0.117 nan 8.290 nan 0.000 0.497 429 S N 0.997 116.891 115.700 0.323 0.000 2.558 429 S HA 0.119 4.589 4.470 0.001 0.000 0.288 429 S C 1.192 176.048 174.600 0.427 0.000 1.318 429 S CA -0.236 58.166 58.200 0.338 0.000 1.056 429 S CB 0.585 63.922 63.200 0.229 0.000 0.853 429 S HN 0.367 nan 8.310 nan 0.000 0.505 430 L N 3.897 125.327 121.223 0.343 0.000 2.291 430 L HA 0.059 4.400 4.340 0.001 0.000 0.214 430 L C 0.363 177.354 176.870 0.202 0.000 1.120 430 L CA 0.365 55.365 54.840 0.266 0.000 0.799 430 L CB -0.409 41.752 42.059 0.169 0.000 0.925 430 L HN 0.393 nan 8.230 nan 0.000 0.446 431 V N 0.479 120.523 119.914 0.217 0.000 2.465 431 V HA 0.201 4.321 4.120 0.001 0.000 0.279 431 V C -0.019 176.172 176.094 0.162 0.000 1.045 431 V CA -0.529 61.889 62.300 0.195 0.000 0.938 431 V CB 1.601 33.576 31.823 0.252 0.000 0.986 431 V HN 0.168 nan 8.190 nan 0.000 0.467 432 E N 3.727 124.003 120.200 0.127 0.000 2.216 432 E HA 0.344 4.694 4.350 0.001 0.000 0.260 432 E C -0.618 176.033 176.600 0.085 0.000 0.880 432 E CA -0.633 55.825 56.400 0.098 0.000 0.765 432 E CB 1.240 30.978 29.700 0.063 0.000 1.174 432 E HN 0.748 nan 8.360 nan 0.000 0.417 433 E N 2.193 122.438 120.200 0.075 0.000 2.376 433 E HA 0.567 4.917 4.350 0.001 0.000 0.254 433 E C 0.512 177.141 176.600 0.048 0.000 1.213 433 E CA -0.238 56.198 56.400 0.061 0.000 0.945 433 E CB 1.456 31.187 29.700 0.051 0.000 1.057 433 E HN 0.775 nan 8.360 nan 0.000 0.479 434 G N -0.873 107.951 108.800 0.040 0.000 2.441 434 G HA2 0.199 4.160 3.960 0.001 0.000 0.222 434 G HA3 0.199 4.160 3.960 0.001 0.000 0.222 434 G C 0.387 175.302 174.900 0.025 0.000 1.254 434 G CA 0.187 45.305 45.100 0.030 0.000 0.959 434 G HN 0.471 nan 8.290 nan 0.000 0.474 435 A N -0.872 121.961 122.820 0.021 0.000 1.859 435 A HA 0.342 4.662 4.320 0.001 0.000 0.217 435 A C 1.245 178.844 177.584 0.024 0.000 1.198 435 A CA 2.708 54.755 52.037 0.017 0.000 0.629 435 A CB -0.859 18.149 19.000 0.014 0.000 0.830 435 A HN 1.575 nan 8.150 nan 0.000 0.446 436 V N -0.436 119.501 119.914 0.038 0.000 2.581 436 V HA 0.326 4.446 4.120 0.001 0.000 0.303 436 V C 0.086 176.226 176.094 0.077 0.000 1.041 436 V CA -1.015 61.321 62.300 0.061 0.000 0.907 436 V CB 1.683 33.559 31.823 0.088 0.000 0.994 436 V HN 0.421 nan 8.190 nan 0.000 0.442 437 K N 3.994 124.452 120.400 0.097 0.000 2.312 437 K HA 0.478 4.798 4.320 0.001 0.000 0.287 437 K C -0.455 176.229 176.600 0.139 0.000 1.062 437 K CA -0.286 56.069 56.287 0.113 0.000 0.934 437 K CB 0.464 33.037 32.500 0.121 0.000 1.027 437 K HN 0.667 nan 8.250 nan 0.000 0.478 438 R N 3.552 124.123 120.500 0.117 0.000 2.771 438 R HA 0.450 4.791 4.340 0.001 0.000 0.274 438 R C -0.684 175.673 176.300 0.096 0.000 0.987 438 R CA -1.093 55.073 56.100 0.109 0.000 0.908 438 R CB 1.313 31.656 30.300 0.071 0.000 1.213 438 R HN 0.444 nan 8.270 nan 0.000 0.468 439 I N 1.967 122.595 120.570 0.097 0.000 2.353 439 I HA 0.130 4.301 4.170 0.001 0.000 0.293 439 I C 0.112 176.253 176.117 0.041 0.000 0.992 439 I CA -0.626 60.720 61.300 0.076 0.000 1.268 439 I CB 1.045 39.084 38.000 0.066 0.000 1.387 439 I HN 0.465 nan 8.210 nan 0.000 0.478 440 N N 7.016 125.719 118.700 0.005 0.000 2.415 440 N HA 0.108 4.848 4.740 0.001 0.000 0.246 440 N C 0.742 176.227 175.510 -0.041 0.000 1.078 440 N CA -0.341 52.658 53.050 -0.085 0.000 0.942 440 N CB 0.993 39.307 38.487 -0.288 0.000 1.140 440 N HN 0.381 nan 8.380 nan 0.000 0.501 441 M N 2.221 121.801 119.600 -0.034 0.000 2.254 441 M HA -0.029 4.452 4.480 0.001 0.000 0.265 441 M C 1.919 178.132 176.300 -0.146 0.000 1.066 441 M CA 0.624 55.907 55.300 -0.029 0.000 1.123 441 M CB -1.520 31.108 32.600 0.045 0.000 1.388 441 M HN 0.577 nan 8.290 nan 0.000 0.425 442 A N 0.025 122.769 122.820 -0.127 0.000 1.845 442 A HA -0.187 4.134 4.320 0.001 0.000 0.215 442 A C 2.014 179.450 177.584 -0.247 0.000 1.195 442 A CA 1.640 53.555 52.037 -0.204 0.000 0.616 442 A CB -1.324 17.780 19.000 0.173 0.000 0.832 442 A HN 0.565 nan 8.150 nan 0.000 0.443 443 H N -0.896 118.025 119.070 -0.248 0.000 2.357 443 H HA -0.166 4.391 4.556 0.001 0.000 0.296 443 H C 2.138 177.265 175.328 -0.336 0.000 1.108 443 H CA 1.264 57.111 56.048 -0.336 0.000 1.273 443 H CB -0.178 29.589 29.762 0.009 0.000 1.367 443 H HN 0.376 nan 8.280 nan 0.000 0.498 444 L N 0.418 121.588 121.223 -0.088 0.000 2.012 444 L HA -0.234 4.107 4.340 0.001 0.000 0.210 444 L C 2.447 179.196 176.870 -0.201 0.000 1.073 444 L CA 1.444 56.216 54.840 -0.113 0.000 0.748 444 L CB -0.519 41.509 42.059 -0.053 0.000 0.891 444 L HN 0.454 nan 8.230 nan 0.000 0.431 445 C N 0.033 119.124 119.300 -0.349 0.000 2.413 445 C HA -0.190 4.270 4.460 0.001 0.000 0.277 445 C C 2.679 177.455 174.990 -0.356 0.000 1.265 445 C CA 0.660 59.399 59.018 -0.464 0.000 1.752 445 C CB -0.813 26.272 27.740 -1.092 0.000 1.998 445 C HN 0.512 nan 8.230 nan 0.000 0.489 446 I N 1.325 121.642 120.570 -0.421 0.000 2.163 446 I HA -0.177 3.993 4.170 0.001 0.000 0.240 446 I C 2.799 178.775 176.117 -0.235 0.000 1.081 446 I CA 1.579 62.654 61.300 -0.376 0.000 1.353 446 I CB -0.685 36.929 38.000 -0.643 0.000 1.054 446 I HN 0.243 nan 8.210 nan 0.000 0.407 447 A N 0.680 123.320 122.820 -0.300 0.000 1.948 447 A HA -0.171 4.149 4.320 0.001 0.000 0.220 447 A C 2.156 179.813 177.584 0.122 0.000 1.177 447 A CA 2.099 54.015 52.037 -0.201 0.000 0.636 447 A CB -1.237 17.436 19.000 -0.545 0.000 0.815 447 A HN 0.514 nan 8.150 nan 0.000 0.449 448 G N -1.368 107.428 108.800 -0.006 0.000 3.434 448 G HA2 0.439 4.399 3.960 0.001 0.000 0.258 448 G HA3 0.439 4.399 3.960 0.001 0.000 0.258 448 G C -0.019 174.748 174.900 -0.220 0.000 1.128 448 G CA 0.503 45.488 45.100 -0.192 0.000 0.792 448 G HN 0.332 nan 8.290 nan 0.000 0.539 449 S N -0.915 114.701 115.700 -0.140 0.000 2.536 449 S HA 0.349 4.820 4.470 0.001 0.000 0.287 449 S C 0.527 175.082 174.600 -0.075 0.000 1.101 449 S CA -0.642 57.491 58.200 -0.111 0.000 0.950 449 S CB 1.505 64.642 63.200 -0.105 0.000 1.056 449 S HN 0.585 nan 8.310 nan 0.000 0.481 450 H N 0.350 119.391 119.070 -0.048 0.000 2.512 450 H HA 0.631 5.187 4.556 0.001 0.000 0.279 450 H C 0.343 175.662 175.328 -0.016 0.000 0.999 450 H CA 0.661 56.707 56.048 -0.004 0.000 1.283 450 H CB 0.225 29.999 29.762 0.021 0.000 1.421 450 H HN 0.537 nan 8.280 nan 0.000 0.554 451 A N 0.886 123.387 122.820 -0.531 0.000 2.414 451 A HA 0.643 4.964 4.320 0.001 0.000 0.306 451 A C -1.398 175.994 177.584 -0.321 0.000 1.054 451 A CA -0.698 51.113 52.037 -0.377 0.000 0.724 451 A CB 1.950 20.724 19.000 -0.377 0.000 1.267 451 A HN 0.156 nan 8.150 nan 0.000 0.418 452 V N 3.841 123.532 119.914 -0.372 0.000 2.577 452 V HA 0.496 4.616 4.120 0.001 0.000 0.303 452 V C -0.892 175.010 176.094 -0.319 0.000 1.042 452 V CA -0.864 61.204 62.300 -0.387 0.000 0.872 452 V CB 1.840 33.287 31.823 -0.627 0.000 0.998 452 V HN 1.014 nan 8.190 nan 0.000 0.423 453 N N 3.028 121.557 118.700 -0.286 0.000 2.238 453 N HA 0.560 5.301 4.740 0.001 0.000 0.302 453 N C -0.066 175.317 175.510 -0.211 0.000 1.072 453 N CA -0.362 52.556 53.050 -0.220 0.000 0.792 453 N CB 2.714 41.052 38.487 -0.248 0.000 1.425 453 N HN 0.642 nan 8.380 nan 0.000 0.478 454 G N -0.398 108.285 108.800 -0.196 0.000 2.553 454 G HA2 0.359 4.319 3.960 0.001 0.000 0.278 454 G HA3 0.359 4.319 3.960 0.001 0.000 0.278 454 G C 0.035 174.928 174.900 -0.012 0.000 1.349 454 G CA -0.452 44.496 45.100 -0.253 0.000 1.037 454 G HN 0.399 nan 8.290 nan 0.000 0.508 455 V N -0.560 119.511 119.914 0.263 0.000 3.382 455 V HA 0.604 4.725 4.120 0.001 0.000 0.296 455 V C 0.564 176.756 176.094 0.163 0.000 1.529 455 V CA 0.907 63.309 62.300 0.170 0.000 1.048 455 V CB -0.044 31.788 31.823 0.016 0.000 0.878 455 V HN 1.203 nan 8.190 nan 0.000 0.442 456 A N -0.788 122.139 122.820 0.180 0.000 2.599 456 A HA 0.546 4.867 4.320 0.001 0.000 0.294 456 A C 0.556 178.192 177.584 0.086 0.000 1.055 456 A CA -0.290 51.820 52.037 0.122 0.000 0.683 456 A CB 0.904 19.967 19.000 0.105 0.000 1.278 456 A HN -0.082 nan 8.150 nan 0.000 0.412 457 R N 0.387 120.917 120.500 0.050 0.000 2.080 457 R HA -0.191 4.149 4.340 0.001 0.000 0.236 457 R C 1.863 178.163 176.300 -0.001 0.000 1.137 457 R CA 2.530 58.637 56.100 0.011 0.000 0.943 457 R CB -0.498 29.806 30.300 0.007 0.000 0.846 457 R HN 0.912 nan 8.270 nan 0.000 0.431 458 I N -2.220 118.360 120.570 0.017 0.000 2.546 458 I HA -0.133 4.038 4.170 0.001 0.000 0.255 458 I C 2.343 178.477 176.117 0.029 0.000 1.163 458 I CA 1.527 62.829 61.300 0.004 0.000 1.457 458 I CB -0.605 37.393 38.000 -0.002 0.000 1.092 458 I HN 0.138 nan 8.210 nan 0.000 0.434 459 H N 1.809 120.853 119.070 -0.043 0.000 2.293 459 H HA -0.095 4.462 4.556 0.001 0.000 0.300 459 H C 2.167 177.468 175.328 -0.045 0.000 1.082 459 H CA 2.219 58.239 56.048 -0.046 0.000 1.308 459 H CB -0.431 29.308 29.762 -0.039 0.000 1.375 459 H HN 0.311 nan 8.280 nan 0.000 0.495 460 S N 0.402 115.965 115.700 -0.228 0.000 2.382 460 S HA -0.125 4.345 4.470 0.001 0.000 0.228 460 S C 1.930 176.408 174.600 -0.204 0.000 1.027 460 S CA 1.124 59.165 58.200 -0.266 0.000 0.991 460 S CB -0.083 63.023 63.200 -0.157 0.000 0.823 460 S HN 0.471 nan 8.310 nan 0.000 0.469 461 E N 1.697 121.805 120.200 -0.154 0.000 2.051 461 E HA -0.127 4.223 4.350 0.001 0.000 0.192 461 E C 2.123 178.613 176.600 -0.182 0.000 0.991 461 E CA 1.124 57.422 56.400 -0.169 0.000 0.799 461 E CB -0.559 29.076 29.700 -0.108 0.000 0.748 461 E HN 0.740 nan 8.360 nan 0.000 0.449 462 I N -1.543 118.950 120.570 -0.129 0.000 2.756 462 I HA -0.126 4.045 4.170 0.001 0.000 0.262 462 I C 2.090 178.119 176.117 -0.146 0.000 1.225 462 I CA 0.724 61.956 61.300 -0.114 0.000 1.472 462 I CB -0.416 37.547 38.000 -0.060 0.000 1.094 462 I HN -0.039 nan 8.210 nan 0.000 0.454 463 L N 1.135 122.254 121.223 -0.172 0.000 2.056 463 L HA -0.111 4.229 4.340 0.001 0.000 0.207 463 L C 2.631 179.397 176.870 -0.172 0.000 1.078 463 L CA 1.506 56.284 54.840 -0.103 0.000 0.749 463 L CB -0.578 41.495 42.059 0.025 0.000 0.901 463 L HN 0.197 nan 8.230 nan 0.000 0.433 464 K N 0.231 120.401 120.400 -0.384 0.000 2.057 464 K HA -0.124 4.196 4.320 0.001 0.000 0.206 464 K C 2.145 178.508 176.600 -0.394 0.000 1.050 464 K CA 1.232 57.069 56.287 -0.750 0.000 0.935 464 K CB 0.054 31.872 32.500 -1.137 0.000 0.715 464 K HN 0.215 nan 8.250 nan 0.000 0.439 465 K N -0.585 119.668 120.400 -0.245 0.000 2.128 465 K HA -0.016 4.304 4.320 0.001 0.000 0.202 465 K C 2.236 178.787 176.600 -0.081 0.000 1.050 465 K CA 1.615 57.825 56.287 -0.129 0.000 0.966 465 K CB 0.279 32.715 32.500 -0.107 0.000 0.759 465 K HN 0.276 nan 8.250 nan 0.000 0.454 466 T N -1.192 113.307 114.554 -0.093 0.000 3.286 466 T HA 0.084 4.434 4.350 0.001 0.000 0.237 466 T C 1.980 176.627 174.700 -0.089 0.000 0.969 466 T CA -0.065 61.990 62.100 -0.075 0.000 1.298 466 T CB -0.453 68.372 68.868 -0.072 0.000 1.053 466 T HN -0.083 nan 8.240 nan 0.000 0.402 467 I N 0.651 121.114 120.570 -0.180 0.000 2.226 467 I HA 0.087 4.257 4.170 0.001 0.000 0.245 467 I C 1.158 177.088 176.117 -0.311 0.000 1.100 467 I CA 1.359 62.449 61.300 -0.350 0.000 1.374 467 I CB -0.272 37.342 38.000 -0.642 0.000 1.057 467 I HN 0.220 nan 8.210 nan 0.000 0.413 468 F N 0.236 120.255 119.950 0.115 0.000 2.735 468 F HA 0.280 4.807 4.527 0.001 0.000 0.304 468 F C 1.767 177.662 175.800 0.158 0.000 1.119 468 F CA -0.812 57.332 58.000 0.241 0.000 1.280 468 F CB -0.531 38.624 39.000 0.258 0.000 0.994 468 F HN -0.125 nan 8.300 nan 0.000 0.520 469 K N 0.871 121.379 120.400 0.180 0.000 2.052 469 K HA -0.250 4.071 4.320 0.001 0.000 0.215 469 K C 1.198 177.853 176.600 0.093 0.000 1.053 469 K CA 2.367 58.708 56.287 0.090 0.000 0.934 469 K CB -0.083 32.436 32.500 0.032 0.000 0.717 469 K HN 0.216 nan 8.250 nan 0.000 0.450 470 D N -0.510 119.909 120.400 0.031 0.000 2.117 470 D HA -0.143 4.497 4.640 0.001 0.000 0.197 470 D C 1.933 178.160 176.300 -0.121 0.000 0.987 470 D CA 1.202 55.100 54.000 -0.170 0.000 0.829 470 D CB -0.306 40.272 40.800 -0.370 0.000 0.961 470 D HN 0.241 nan 8.370 nan 0.000 0.460 471 F N 0.067 120.108 119.950 0.151 0.000 2.163 471 F HA -0.145 4.383 4.527 0.001 0.000 0.297 471 F C 2.362 178.335 175.800 0.288 0.000 1.094 471 F CA 0.457 58.625 58.000 0.279 0.000 1.290 471 F CB -0.760 38.472 39.000 0.386 0.000 1.017 471 F HN -0.053 nan 8.300 nan 0.000 0.483 472 Y N 1.481 121.772 120.300 -0.016 0.000 2.165 472 Y HA -0.242 4.308 4.550 0.001 0.000 0.286 472 Y C 2.114 178.005 175.900 -0.014 0.000 1.155 472 Y CA 1.749 59.643 58.100 -0.342 0.000 1.164 472 Y CB -0.626 37.468 38.460 -0.611 0.000 0.978 472 Y HN 0.167 nan 8.280 nan 0.000 0.513 473 E N -0.412 119.770 120.200 -0.031 0.000 2.274 473 E HA -0.145 4.205 4.350 0.001 0.000 0.194 473 E C 2.222 178.906 176.600 0.140 0.000 0.996 473 E CA 0.677 57.069 56.400 -0.014 0.000 0.840 473 E CB -0.098 29.638 29.700 0.060 0.000 0.772 473 E HN 0.472 nan 8.360 nan 0.000 0.491 474 L N 0.522 121.856 121.223 0.186 0.000 2.102 474 L HA -0.027 4.314 4.340 0.001 0.000 0.202 474 L C 0.297 177.259 176.870 0.153 0.000 1.076 474 L CA 1.252 56.232 54.840 0.234 0.000 0.761 474 L CB 0.353 42.556 42.059 0.240 0.000 0.921 474 L HN -0.014 nan 8.230 nan 0.000 0.444 475 E N -0.495 119.797 120.200 0.154 0.000 3.374 475 E HA 0.135 4.485 4.350 0.001 0.000 0.223 475 E C -1.870 174.697 176.600 -0.055 0.000 1.210 475 E CA -1.360 55.033 56.400 -0.013 0.000 0.987 475 E CB 1.099 30.799 29.700 -0.001 0.000 1.322 475 E HN 0.176 nan 8.360 nan 0.000 0.404 476 P HA -0.241 nan 4.420 nan 0.000 0.217 476 P C 1.248 178.610 177.300 0.104 0.000 1.150 476 P CA 1.376 64.359 63.100 -0.195 0.000 0.832 476 P CB -0.021 31.471 31.700 -0.347 0.000 0.787 477 H N 0.396 119.555 119.070 0.148 0.000 2.489 477 H HA -0.027 4.529 4.556 0.001 0.000 0.295 477 H C 1.804 177.227 175.328 0.157 0.000 1.082 477 H CA 1.141 57.273 56.048 0.140 0.000 1.295 477 H CB -0.630 29.187 29.762 0.092 0.000 1.380 477 H HN 0.148 nan 8.280 nan 0.000 0.548 478 K N 0.309 120.592 120.400 -0.195 0.000 2.211 478 K HA -0.012 4.308 4.320 0.001 0.000 0.203 478 K C -0.250 176.236 176.600 -0.190 0.000 1.050 478 K CA 0.265 56.444 56.287 -0.180 0.000 0.945 478 K CB 0.097 32.390 32.500 -0.345 0.000 0.732 478 K HN 0.039 nan 8.250 nan 0.000 0.451 479 F N 1.296 121.285 119.950 0.064 0.000 2.404 479 F HA 0.296 4.823 4.527 0.001 0.000 0.345 479 F C 0.199 176.011 175.800 0.020 0.000 1.110 479 F CA -0.325 57.712 58.000 0.061 0.000 1.130 479 F CB 1.462 40.554 39.000 0.154 0.000 1.129 479 F HN -0.045 nan 8.300 nan 0.000 0.500 480 Q N 1.534 121.377 119.800 0.071 0.000 2.605 480 Q HA 0.388 4.729 4.340 0.001 0.000 0.296 480 Q C -1.299 174.657 176.000 -0.073 0.000 1.056 480 Q CA -1.306 54.484 55.803 -0.021 0.000 0.778 480 Q CB 3.214 31.889 28.738 -0.105 0.000 1.497 480 Q HN 0.641 nan 8.270 nan 0.000 0.443 481 N N 0.528 119.165 118.700 -0.106 0.000 2.238 481 N HA 0.309 5.050 4.740 0.001 0.000 0.302 481 N C -1.617 173.787 175.510 -0.177 0.000 1.072 481 N CA -0.441 52.537 53.050 -0.120 0.000 0.792 481 N CB 1.344 39.787 38.487 -0.074 0.000 1.425 481 N HN 0.321 nan 8.380 nan 0.000 0.478 482 K N 2.516 122.809 120.400 -0.179 0.000 2.668 482 K HA 0.205 4.525 4.320 0.001 0.000 0.246 482 K C -1.138 175.469 176.600 0.013 0.000 0.976 482 K CA -0.538 55.625 56.287 -0.206 0.000 0.902 482 K CB 1.602 33.717 32.500 -0.642 0.000 1.172 482 K HN 0.513 nan 8.250 nan 0.000 0.452 483 T N 2.795 117.385 114.554 0.060 0.000 2.752 483 T HA 0.126 4.476 4.350 0.001 0.000 0.295 483 T C 0.446 175.288 174.700 0.237 0.000 0.923 483 T CA -0.337 61.849 62.100 0.143 0.000 1.112 483 T CB 0.023 68.975 68.868 0.140 0.000 0.884 483 T HN 0.236 nan 8.240 nan 0.000 0.525 484 N N 2.392 121.250 118.700 0.263 0.000 2.225 484 N HA 0.174 4.914 4.740 0.001 0.000 0.257 484 N C 0.516 176.219 175.510 0.320 0.000 1.252 484 N CA 0.633 53.874 53.050 0.318 0.000 0.833 484 N CB 0.431 39.042 38.487 0.206 0.000 1.068 484 N HN 0.865 nan 8.380 nan 0.000 0.468 485 G N 0.166 109.191 108.800 0.374 0.000 2.733 485 G HA2 0.706 4.666 3.960 0.001 0.000 0.288 485 G HA3 0.706 4.666 3.960 0.001 0.000 0.288 485 G C -0.889 174.188 174.900 0.295 0.000 1.373 485 G CA -0.345 44.950 45.100 0.324 0.000 0.895 485 G HN 0.437 nan 8.290 nan 0.000 0.479 486 I N -0.997 119.722 120.570 0.249 0.000 3.133 486 I HA 0.632 4.802 4.170 0.001 0.000 0.311 486 I C 0.315 176.605 176.117 0.288 0.000 1.072 486 I CA -0.682 60.759 61.300 0.235 0.000 1.015 486 I CB 2.598 40.674 38.000 0.127 0.000 1.233 486 I HN 0.427 nan 8.210 nan 0.000 0.473 487 T N 4.986 119.774 114.554 0.390 0.000 2.749 487 T HA 0.395 4.745 4.350 0.001 0.000 0.287 487 T C -1.846 172.971 174.700 0.195 0.000 0.970 487 T CA -1.919 60.323 62.100 0.236 0.000 0.980 487 T CB 1.050 70.000 68.868 0.136 0.000 0.924 487 T HN 0.356 nan 8.240 nan 0.000 0.456 488 P HA -0.089 nan 4.420 nan 0.000 0.218 488 P C 1.275 178.541 177.300 -0.055 0.000 1.148 488 P CA 0.760 63.893 63.100 0.055 0.000 0.822 488 P CB 0.359 32.069 31.700 0.015 0.000 0.784 489 R N 0.337 120.752 120.500 -0.143 0.000 2.126 489 R HA -0.099 4.242 4.340 0.001 0.000 0.224 489 R C 2.693 178.882 176.300 -0.184 0.000 1.128 489 R CA 1.908 57.885 56.100 -0.205 0.000 0.895 489 R CB -1.602 28.602 30.300 -0.160 0.000 0.817 489 R HN 0.071 nan 8.270 nan 0.000 0.435 490 R N -0.783 119.562 120.500 -0.259 0.000 2.091 490 R HA -0.141 4.200 4.340 0.001 0.000 0.238 490 R C 1.339 177.276 176.300 -0.605 0.000 1.136 490 R CA 1.902 57.691 56.100 -0.518 0.000 0.959 490 R CB -0.268 29.593 30.300 -0.732 0.000 0.856 490 R HN 0.349 nan 8.270 nan 0.000 0.437 491 W N -0.565 120.703 121.300 -0.054 0.000 3.353 491 W HA 0.215 4.875 4.660 0.001 0.000 0.304 491 W C 1.234 177.727 176.519 -0.045 0.000 1.273 491 W CA -0.681 56.630 57.345 -0.057 0.000 1.773 491 W CB 0.501 29.933 29.460 -0.047 0.000 1.095 491 W HN 0.163 nan 8.180 nan 0.000 0.676 492 L N -1.804 119.475 121.223 0.093 0.000 2.681 492 L HA 0.078 4.418 4.340 0.001 0.000 0.163 492 L C 1.756 178.633 176.870 0.013 0.000 1.188 492 L CA 0.525 55.408 54.840 0.071 0.000 0.944 492 L CB -0.642 41.480 42.059 0.106 0.000 1.835 492 L HN -0.277 nan 8.230 nan 0.000 0.510 493 V N 1.496 121.395 119.914 -0.025 0.000 2.490 493 V HA -0.264 3.857 4.120 0.001 0.000 0.250 493 V C 2.417 178.482 176.094 -0.047 0.000 1.061 493 V CA 2.095 64.370 62.300 -0.042 0.000 1.064 493 V CB -0.299 31.458 31.823 -0.109 0.000 0.670 493 V HN 0.409 nan 8.190 nan 0.000 0.461 494 L N 0.285 121.455 121.223 -0.089 0.000 2.121 494 L HA -0.093 4.247 4.340 0.001 0.000 0.200 494 L C 2.521 179.332 176.870 -0.099 0.000 1.077 494 L CA 1.919 56.694 54.840 -0.108 0.000 0.766 494 L CB -0.183 41.767 42.059 -0.182 0.000 0.931 494 L HN 0.559 nan 8.230 nan 0.000 0.452 495 C N -1.057 118.175 119.300 -0.113 0.000 2.495 495 C HA 0.151 4.611 4.460 0.001 0.000 0.275 495 C C 1.143 176.117 174.990 -0.027 0.000 1.392 495 C CA -0.279 58.693 59.018 -0.077 0.000 1.766 495 C CB -1.278 26.419 27.740 -0.071 0.000 1.933 495 C HN 0.578 nan 8.230 nan 0.000 0.519 496 N N 1.412 120.103 118.700 -0.015 0.000 2.804 496 N HA 0.357 5.098 4.740 0.001 0.000 0.251 496 N C -2.100 173.407 175.510 -0.004 0.000 1.250 496 N CA -1.852 51.196 53.050 -0.003 0.000 0.820 496 N CB 1.087 39.580 38.487 0.011 0.000 1.156 496 N HN 0.132 nan 8.380 nan 0.000 0.512 497 P HA 0.022 nan 4.420 nan 0.000 0.215 497 P C 1.388 178.682 177.300 -0.009 0.000 1.157 497 P CA 0.932 64.027 63.100 -0.009 0.000 0.859 497 P CB 0.186 31.879 31.700 -0.012 0.000 0.786 498 G N 0.708 109.497 108.800 -0.019 0.000 2.491 498 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 498 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 498 G C 1.484 176.360 174.900 -0.041 0.000 1.180 498 G CA 0.570 45.650 45.100 -0.034 0.000 0.774 498 G HN 0.149 nan 8.290 nan 0.000 0.562 499 L N 1.308 122.511 121.223 -0.033 0.000 2.017 499 L HA 0.022 4.363 4.340 0.001 0.000 0.208 499 L C 3.287 180.161 176.870 0.006 0.000 1.073 499 L CA 2.100 56.917 54.840 -0.038 0.000 0.745 499 L CB -1.370 40.678 42.059 -0.018 0.000 0.894 499 L HN 0.333 nan 8.230 nan 0.000 0.432 500 A N -0.704 122.147 122.820 0.051 0.000 1.873 500 A HA -0.295 4.025 4.320 0.001 0.000 0.218 500 A C 2.286 179.943 177.584 0.123 0.000 1.193 500 A CA 2.023 54.136 52.037 0.127 0.000 0.629 500 A CB -0.727 18.319 19.000 0.076 0.000 0.826 500 A HN 0.526 nan 8.150 nan 0.000 0.447 501 E N -0.745 119.485 120.200 0.050 0.000 2.118 501 E HA -0.169 4.181 4.350 0.001 0.000 0.195 501 E C 1.801 178.409 176.600 0.013 0.000 0.992 501 E CA 1.233 57.651 56.400 0.031 0.000 0.804 501 E CB -0.176 29.524 29.700 -0.001 0.000 0.741 501 E HN 0.689 nan 8.360 nan 0.000 0.458 502 I N 0.291 120.841 120.570 -0.033 0.000 2.761 502 I HA -0.161 4.009 4.170 0.001 0.000 0.261 502 I C 1.847 177.911 176.117 -0.089 0.000 1.198 502 I CA 0.365 61.602 61.300 -0.105 0.000 1.482 502 I CB 0.131 38.005 38.000 -0.211 0.000 1.100 502 I HN 0.174 nan 8.210 nan 0.000 0.445 503 I N 0.244 120.792 120.570 -0.036 0.000 2.364 503 I HA -0.098 4.073 4.170 0.001 0.000 0.241 503 I C 2.710 178.843 176.117 0.027 0.000 1.082 503 I CA 0.882 62.144 61.300 -0.064 0.000 1.401 503 I CB -0.478 37.359 38.000 -0.271 0.000 1.126 503 I HN 0.049 nan 8.210 nan 0.000 0.429 504 A N 0.421 123.378 122.820 0.228 0.000 2.084 504 A HA -0.257 4.064 4.320 0.001 0.000 0.221 504 A C 2.143 179.805 177.584 0.130 0.000 1.161 504 A CA 1.650 53.860 52.037 0.288 0.000 0.653 504 A CB -0.700 18.474 19.000 0.289 0.000 0.802 504 A HN 0.457 nan 8.150 nan 0.000 0.457 505 E N -0.959 119.285 120.200 0.074 0.000 2.160 505 E HA -0.222 4.129 4.350 0.001 0.000 0.195 505 E C 2.097 178.721 176.600 0.039 0.000 0.991 505 E CA 1.435 57.858 56.400 0.037 0.000 0.810 505 E CB -0.021 29.679 29.700 -0.000 0.000 0.742 505 E HN 0.664 nan 8.360 nan 0.000 0.466 506 R N -0.773 119.751 120.500 0.039 0.000 2.257 506 R HA 0.156 4.497 4.340 0.001 0.000 0.195 506 R C 2.310 178.657 176.300 0.078 0.000 0.921 506 R CA 0.352 56.483 56.100 0.051 0.000 1.069 506 R CB 0.263 30.565 30.300 0.003 0.000 1.115 506 R HN 0.174 nan 8.270 nan 0.000 0.571 507 I N -3.648 116.971 120.570 0.081 0.000 3.790 507 I HA 0.496 4.667 4.170 0.001 0.000 0.305 507 I C 0.569 176.761 176.117 0.125 0.000 1.253 507 I CA 0.185 61.543 61.300 0.096 0.000 1.355 507 I CB 0.877 38.924 38.000 0.079 0.000 1.137 507 I HN 0.090 nan 8.210 nan 0.000 0.435 508 G N 1.807 110.702 108.800 0.157 0.000 2.428 508 G HA2 -0.155 3.805 3.960 0.001 0.000 0.681 508 G HA3 -0.155 3.805 3.960 0.001 0.000 0.681 508 G C -0.174 174.849 174.900 0.205 0.000 1.340 508 G CA -0.059 45.131 45.100 0.151 0.000 0.915 508 G HN 0.278 nan 8.290 nan 0.000 0.645 509 E N -0.562 119.700 120.200 0.102 0.000 2.515 509 E HA -0.056 4.294 4.350 0.001 0.000 0.201 509 E C 1.763 178.321 176.600 -0.071 0.000 1.071 509 E CA 1.016 57.422 56.400 0.011 0.000 0.880 509 E CB 0.059 29.774 29.700 0.026 0.000 0.828 509 E HN 0.593 nan 8.360 nan 0.000 0.540 510 E N -0.629 119.587 120.200 0.026 0.000 2.285 510 E HA -0.160 4.190 4.350 0.001 0.000 0.194 510 E C 1.591 178.195 176.600 0.007 0.000 0.997 510 E CA 0.660 57.076 56.400 0.027 0.000 0.845 510 E CB 0.007 29.748 29.700 0.069 0.000 0.782 510 E HN 0.519 nan 8.360 nan 0.000 0.491 511 Y N -1.004 119.312 120.300 0.026 0.000 2.314 511 Y HA -0.033 4.517 4.550 0.001 0.000 0.293 511 Y C 1.728 177.616 175.900 -0.020 0.000 1.129 511 Y CA 0.575 58.681 58.100 0.009 0.000 1.201 511 Y CB -0.508 37.960 38.460 0.014 0.000 0.999 511 Y HN -0.074 nan 8.280 nan 0.000 0.541 512 I N 0.161 120.299 120.570 -0.721 0.000 2.423 512 I HA -0.252 3.919 4.170 0.001 0.000 0.254 512 I C 2.334 178.270 176.117 -0.302 0.000 1.151 512 I CA 1.832 62.762 61.300 -0.617 0.000 1.421 512 I CB -0.347 37.114 38.000 -0.898 0.000 1.079 512 I HN 0.332 nan 8.210 nan 0.000 0.431 513 S N -1.184 114.427 115.700 -0.149 0.000 2.540 513 S HA 0.050 4.521 4.470 0.001 0.000 0.218 513 S C 0.081 174.685 174.600 0.007 0.000 0.977 513 S CA -0.055 58.127 58.200 -0.031 0.000 0.918 513 S CB -0.098 63.128 63.200 0.043 0.000 0.806 513 S HN 0.331 nan 8.310 nan 0.000 0.496 514 D N 0.598 121.013 120.400 0.025 0.000 2.752 514 D HA 0.179 4.819 4.640 0.001 0.000 0.242 514 D C 0.124 176.486 176.300 0.104 0.000 1.295 514 D CA -0.252 53.781 54.000 0.056 0.000 0.846 514 D CB 0.307 41.139 40.800 0.053 0.000 1.454 514 D HN 0.134 nan 8.370 nan 0.000 0.535 515 L N 1.129 122.415 121.223 0.104 0.000 2.376 515 L HA 0.152 4.493 4.340 0.001 0.000 0.219 515 L C 1.255 178.178 176.870 0.088 0.000 1.133 515 L CA 1.295 56.227 54.840 0.153 0.000 0.816 515 L CB 0.131 42.273 42.059 0.138 0.000 0.933 515 L HN 0.235 nan 8.230 nan 0.000 0.449 516 D N -0.522 119.905 120.400 0.046 0.000 2.323 516 D HA -0.109 4.531 4.640 0.001 0.000 0.239 516 D C 1.440 177.752 176.300 0.020 0.000 1.129 516 D CA 0.227 54.234 54.000 0.010 0.000 0.865 516 D CB 0.278 41.065 40.800 -0.022 0.000 0.913 516 D HN 0.544 nan 8.370 nan 0.000 0.517 517 Q N -0.015 119.816 119.800 0.051 0.000 2.360 517 Q HA 0.087 4.428 4.340 0.001 0.000 0.202 517 Q C 1.519 177.527 176.000 0.013 0.000 0.915 517 Q CA -0.025 55.809 55.803 0.052 0.000 0.943 517 Q CB 0.255 29.055 28.738 0.103 0.000 1.064 517 Q HN 0.299 nan 8.270 nan 0.000 0.511 518 L N -0.007 121.208 121.223 -0.014 0.000 2.465 518 L HA -0.023 4.318 4.340 0.001 0.000 0.224 518 L C 2.069 178.925 176.870 -0.024 0.000 1.145 518 L CA 0.485 55.285 54.840 -0.066 0.000 0.834 518 L CB -0.236 41.787 42.059 -0.059 0.000 0.944 518 L HN 0.266 nan 8.230 nan 0.000 0.451 519 R N 0.541 121.035 120.500 -0.011 0.000 2.152 519 R HA -0.172 4.169 4.340 0.001 0.000 0.232 519 R C 2.010 178.305 176.300 -0.009 0.000 1.117 519 R CA 1.108 57.202 56.100 -0.010 0.000 0.981 519 R CB -0.078 30.214 30.300 -0.013 0.000 0.870 519 R HN 0.341 nan 8.270 nan 0.000 0.451 520 K N 0.058 120.458 120.400 0.001 0.000 2.283 520 K HA -0.084 4.236 4.320 0.001 0.000 0.202 520 K C 1.543 178.169 176.600 0.044 0.000 1.048 520 K CA 0.608 56.904 56.287 0.015 0.000 0.948 520 K CB 0.046 32.567 32.500 0.036 0.000 0.742 520 K HN -0.012 nan 8.250 nan 0.000 0.458 521 L N 0.542 121.790 121.223 0.042 0.000 2.265 521 L HA -0.089 4.251 4.340 0.001 0.000 0.215 521 L C 0.499 177.382 176.870 0.022 0.000 1.117 521 L CA 1.010 55.896 54.840 0.076 0.000 0.782 521 L CB -0.596 41.485 42.059 0.037 0.000 0.914 521 L HN 0.141 nan 8.230 nan 0.000 0.441 522 L N -0.479 120.725 121.223 -0.031 0.000 2.505 522 L HA 0.030 4.370 4.340 0.001 0.000 0.275 522 L C 0.866 177.631 176.870 -0.174 0.000 1.264 522 L CA 0.819 55.611 54.840 -0.080 0.000 1.148 522 L CB -0.911 41.115 42.059 -0.056 0.000 1.377 522 L HN 0.159 nan 8.230 nan 0.000 0.442 523 S N 0.540 116.056 115.700 -0.307 0.000 2.342 523 S HA 0.109 4.580 4.470 0.001 0.000 0.229 523 S C 0.416 174.543 174.600 -0.789 0.000 0.900 523 S CA -0.271 57.579 58.200 -0.584 0.000 1.610 523 S CB -0.062 62.635 63.200 -0.839 0.000 1.250 523 S HN 0.464 nan 8.310 nan 0.000 0.610 524 Y N 1.064 121.154 120.300 -0.351 0.000 2.660 524 Y HA 0.346 4.896 4.550 0.001 0.000 0.254 524 Y C 1.586 177.356 175.900 -0.217 0.000 1.176 524 Y CA -0.216 57.598 58.100 -0.476 0.000 1.195 524 Y CB 0.266 37.963 38.460 -1.272 0.000 1.190 524 Y HN 0.128 nan 8.280 nan 0.000 0.535 525 V N -1.124 118.750 119.914 -0.067 0.000 2.871 525 V HA -0.130 3.990 4.120 0.001 0.000 0.256 525 V C 0.981 177.083 176.094 0.012 0.000 1.082 525 V CA 1.513 63.809 62.300 -0.007 0.000 1.105 525 V CB -0.279 31.525 31.823 -0.031 0.000 0.713 525 V HN 0.289 nan 8.190 nan 0.000 0.473 526 D N 1.391 121.786 120.400 -0.007 0.000 2.165 526 D HA -0.038 4.603 4.640 0.001 0.000 0.213 526 D C 1.524 177.840 176.300 0.027 0.000 0.983 526 D CA 1.764 55.763 54.000 -0.002 0.000 0.881 526 D CB -0.138 40.644 40.800 -0.030 0.000 1.028 526 D HN 0.721 nan 8.370 nan 0.000 0.457 527 D N -1.426 119.000 120.400 0.043 0.000 2.001 527 D HA -0.015 4.626 4.640 0.001 0.000 0.348 527 D C -0.451 175.909 176.300 0.100 0.000 1.074 527 D CA -0.212 53.825 54.000 0.062 0.000 0.928 527 D CB -0.613 40.211 40.800 0.041 0.000 1.823 527 D HN 0.093 nan 8.370 nan 0.000 0.540 528 E N 1.569 121.833 120.200 0.107 0.000 2.344 528 E HA 0.520 4.871 4.350 0.001 0.000 0.270 528 E C 0.972 177.718 176.600 0.242 0.000 1.021 528 E CA 0.174 56.658 56.400 0.141 0.000 0.887 528 E CB 0.638 30.405 29.700 0.112 0.000 0.997 528 E HN 0.480 nan 8.360 nan 0.000 0.429 529 A N 1.673 124.612 122.820 0.199 0.000 2.985 529 A HA -0.302 4.019 4.320 0.001 0.000 0.276 529 A C 0.638 178.394 177.584 0.287 0.000 1.270 529 A CA 2.174 54.338 52.037 0.213 0.000 0.982 529 A CB -2.184 16.949 19.000 0.223 0.000 0.977 529 A HN 0.687 nan 8.150 nan 0.000 0.682 530 F N -1.980 117.993 119.950 0.039 0.000 2.421 530 F HA 0.285 4.812 4.527 0.001 0.000 0.270 530 F C 1.845 177.655 175.800 0.015 0.000 0.894 530 F CA 0.456 58.458 58.000 0.004 0.000 1.128 530 F CB 0.137 39.169 39.000 0.053 0.000 1.011 530 F HN 0.124 nan 8.300 nan 0.000 0.788 531 I N 1.228 121.930 120.570 0.220 0.000 2.623 531 I HA -0.285 3.886 4.170 0.001 0.000 0.261 531 I C 1.889 178.038 176.117 0.054 0.000 1.204 531 I CA 0.590 61.961 61.300 0.118 0.000 1.444 531 I CB -0.501 37.565 38.000 0.110 0.000 1.094 531 I HN 0.183 nan 8.210 nan 0.000 0.451 532 R N 1.810 122.335 120.500 0.043 0.000 2.082 532 R HA -0.074 4.266 4.340 0.001 0.000 0.218 532 R C 1.445 177.713 176.300 -0.053 0.000 1.171 532 R CA 1.590 57.691 56.100 0.002 0.000 0.914 532 R CB -1.397 28.910 30.300 0.011 0.000 0.806 532 R HN 0.447 nan 8.270 nan 0.000 0.453 533 D N 1.186 121.518 120.400 -0.114 0.000 2.336 533 D HA 0.004 4.645 4.640 0.001 0.000 0.229 533 D C 1.511 177.649 176.300 -0.270 0.000 1.061 533 D CA 0.108 54.002 54.000 -0.177 0.000 0.875 533 D CB 0.150 40.845 40.800 -0.175 0.000 0.904 533 D HN -0.019 nan 8.370 nan 0.000 0.525 534 V N 1.213 120.964 119.914 -0.272 0.000 2.403 534 V HA -0.009 4.112 4.120 0.001 0.000 0.239 534 V C 2.622 178.663 176.094 -0.087 0.000 1.041 534 V CA 1.395 63.556 62.300 -0.232 0.000 1.051 534 V CB -0.288 31.408 31.823 -0.211 0.000 0.704 534 V HN 0.301 nan 8.190 nan 0.000 0.472 535 A N -0.297 122.504 122.820 -0.032 0.000 2.178 535 A HA -0.207 4.114 4.320 0.001 0.000 0.218 535 A C 2.054 179.628 177.584 -0.017 0.000 1.157 535 A CA 2.012 54.055 52.037 0.009 0.000 0.689 535 A CB -0.380 18.641 19.000 0.034 0.000 0.787 535 A HN 0.505 nan 8.150 nan 0.000 0.465 536 K N -0.370 120.002 120.400 -0.046 0.000 1.980 536 K HA -0.023 4.298 4.320 0.001 0.000 0.208 536 K C 1.635 178.206 176.600 -0.047 0.000 1.043 536 K CA 1.692 57.950 56.287 -0.047 0.000 0.938 536 K CB -0.502 31.960 32.500 -0.063 0.000 0.724 536 K HN 0.093 nan 8.250 nan 0.000 0.438 537 V N 1.363 121.237 119.914 -0.067 0.000 2.568 537 V HA -0.177 3.943 4.120 0.001 0.000 0.253 537 V C 1.890 177.964 176.094 -0.034 0.000 1.072 537 V CA 1.747 64.013 62.300 -0.056 0.000 1.084 537 V CB -0.452 31.323 31.823 -0.080 0.000 0.676 537 V HN 0.302 nan 8.190 nan 0.000 0.469 538 K N -0.309 120.075 120.400 -0.027 0.000 2.522 538 K HA -0.010 4.310 4.320 0.001 0.000 0.194 538 K C 1.579 178.169 176.600 -0.017 0.000 1.026 538 K CA 0.672 56.957 56.287 -0.003 0.000 1.119 538 K CB 0.130 32.651 32.500 0.035 0.000 0.856 538 K HN 0.451 nan 8.250 nan 0.000 0.513 539 Q N -0.482 119.302 119.800 -0.026 0.000 2.534 539 Q HA 0.213 4.553 4.340 0.001 0.000 0.252 539 Q C 0.959 176.946 176.000 -0.023 0.000 0.850 539 Q CA 0.729 56.510 55.803 -0.036 0.000 0.974 539 Q CB 0.375 29.096 28.738 -0.028 0.000 1.205 539 Q HN 0.342 nan 8.270 nan 0.000 0.593 540 E N 0.122 120.313 120.200 -0.015 0.000 2.333 540 E HA -0.104 4.246 4.350 0.001 0.000 0.198 540 E C 1.204 177.812 176.600 0.013 0.000 1.007 540 E CA 0.935 57.334 56.400 -0.002 0.000 0.845 540 E CB 0.010 29.704 29.700 -0.009 0.000 0.766 540 E HN 0.423 nan 8.360 nan 0.000 0.507 541 N N 0.181 118.885 118.700 0.007 0.000 2.220 541 N HA -0.057 4.684 4.740 0.001 0.000 0.182 541 N C 1.601 177.141 175.510 0.051 0.000 1.023 541 N CA 0.415 53.480 53.050 0.026 0.000 0.856 541 N CB 0.148 38.637 38.487 0.004 0.000 0.997 541 N HN -0.021 nan 8.380 nan 0.000 0.429 542 K N 0.899 121.289 120.400 -0.016 0.000 2.063 542 K HA -0.074 4.246 4.320 0.001 0.000 0.208 542 K C 1.856 178.487 176.600 0.053 0.000 1.048 542 K CA 0.865 57.099 56.287 -0.088 0.000 0.928 542 K CB 0.004 32.329 32.500 -0.291 0.000 0.713 542 K HN 0.147 nan 8.250 nan 0.000 0.442 543 L N 1.098 122.353 121.223 0.053 0.000 2.095 543 L HA -0.102 4.238 4.340 0.001 0.000 0.204 543 L C 2.136 179.087 176.870 0.135 0.000 1.080 543 L CA 1.455 56.350 54.840 0.091 0.000 0.759 543 L CB -0.702 41.386 42.059 0.049 0.000 0.914 543 L HN 0.167 nan 8.230 nan 0.000 0.439 544 K N -0.617 119.860 120.400 0.128 0.000 2.032 544 K HA -0.239 4.081 4.320 0.001 0.000 0.209 544 K C 2.064 178.780 176.600 0.194 0.000 1.048 544 K CA 1.613 57.979 56.287 0.132 0.000 0.927 544 K CB -0.258 32.306 32.500 0.107 0.000 0.712 544 K HN 0.065 nan 8.250 nan 0.000 0.441 545 F N 1.138 121.166 119.950 0.130 0.000 2.206 545 F HA -0.094 4.434 4.527 0.001 0.000 0.298 545 F C 2.040 178.010 175.800 0.284 0.000 1.090 545 F CA 1.081 59.202 58.000 0.202 0.000 1.323 545 F CB -0.121 39.002 39.000 0.206 0.000 1.028 545 F HN -0.038 nan 8.300 nan 0.000 0.492 546 A N 0.064 123.127 122.820 0.406 0.000 2.125 546 A HA -0.024 4.297 4.320 0.001 0.000 0.219 546 A C 2.265 179.929 177.584 0.134 0.000 1.156 546 A CA 1.434 53.668 52.037 0.328 0.000 0.671 546 A CB -1.271 17.958 19.000 0.381 0.000 0.794 546 A HN 0.459 nan 8.150 nan 0.000 0.459 547 A N -1.895 120.988 122.820 0.104 0.000 1.970 547 A HA 0.016 4.336 4.320 0.001 0.000 0.216 547 A C 1.917 179.525 177.584 0.039 0.000 1.170 547 A CA 1.152 53.226 52.037 0.063 0.000 0.645 547 A CB -0.592 18.451 19.000 0.071 0.000 0.816 547 A HN 0.647 nan 8.150 nan 0.000 0.447 548 Y N -0.560 119.653 120.300 -0.145 0.000 2.632 548 Y HA 0.096 4.646 4.550 0.001 0.000 0.301 548 Y C 1.380 177.189 175.900 -0.152 0.000 1.172 548 Y CA 0.409 58.390 58.100 -0.197 0.000 1.328 548 Y CB 0.067 38.319 38.460 -0.346 0.000 1.016 548 Y HN 0.206 nan 8.280 nan 0.000 0.529 549 L N -0.466 120.688 121.223 -0.115 0.000 2.471 549 L HA 0.069 4.409 4.340 0.001 0.000 0.186 549 L C 2.215 179.115 176.870 0.049 0.000 1.191 549 L CA 1.183 56.019 54.840 -0.006 0.000 0.835 549 L CB -1.135 40.899 42.059 -0.042 0.000 1.092 549 L HN 0.026 nan 8.230 nan 0.000 0.495 550 E N 0.161 120.364 120.200 0.004 0.000 2.086 550 E HA -0.326 4.025 4.350 0.001 0.000 0.200 550 E C 2.089 178.670 176.600 -0.033 0.000 1.012 550 E CA 2.060 58.452 56.400 -0.013 0.000 0.812 550 E CB -0.132 29.540 29.700 -0.047 0.000 0.743 550 E HN 0.424 nan 8.360 nan 0.000 0.453 551 R N 0.942 121.405 120.500 -0.061 0.000 2.082 551 R HA -0.145 4.196 4.340 0.001 0.000 0.234 551 R C 2.134 178.355 176.300 -0.132 0.000 1.136 551 R CA 1.539 57.587 56.100 -0.086 0.000 0.935 551 R CB -0.457 29.789 30.300 -0.091 0.000 0.842 551 R HN 0.056 nan 8.270 nan 0.000 0.430 552 E N 0.400 120.470 120.200 -0.217 0.000 2.047 552 E HA -0.128 4.222 4.350 0.001 0.000 0.191 552 E C 1.498 177.849 176.600 -0.414 0.000 0.987 552 E CA 1.285 57.441 56.400 -0.405 0.000 0.799 552 E CB -0.065 29.214 29.700 -0.701 0.000 0.752 552 E HN 0.511 nan 8.360 nan 0.000 0.449 553 Y N 0.677 120.905 120.300 -0.120 0.000 2.493 553 Y HA 0.124 4.674 4.550 0.001 0.000 0.275 553 Y C -0.034 175.842 175.900 -0.040 0.000 1.183 553 Y CA -0.420 57.642 58.100 -0.063 0.000 1.258 553 Y CB 0.347 38.773 38.460 -0.056 0.000 1.108 553 Y HN -0.240 nan 8.280 nan 0.000 0.521 554 K N 0.815 121.239 120.400 0.039 0.000 4.075 554 K HA -0.148 4.172 4.320 0.001 0.000 0.278 554 K C -0.747 175.873 176.600 0.034 0.000 0.862 554 K CA 0.811 57.112 56.287 0.025 0.000 0.762 554 K CB -1.943 30.571 32.500 0.024 0.000 1.660 554 K HN 0.314 nan 8.250 nan 0.000 0.437 555 V N -2.591 117.334 119.914 0.019 0.000 3.216 555 V HA 0.376 4.496 4.120 0.001 0.000 0.302 555 V C -0.046 176.056 176.094 0.014 0.000 1.286 555 V CA -1.174 61.129 62.300 0.005 0.000 1.048 555 V CB 2.416 34.240 31.823 0.001 0.000 1.081 555 V HN 0.432 nan 8.190 nan 0.000 0.442 556 H N 2.966 122.010 119.070 -0.043 0.000 2.821 556 H HA 0.491 5.047 4.556 0.001 0.000 0.262 556 H C -0.740 174.580 175.328 -0.014 0.000 1.402 556 H CA -0.488 55.547 56.048 -0.022 0.000 1.293 556 H CB 0.536 30.281 29.762 -0.027 0.000 1.533 556 H HN 0.467 nan 8.280 nan 0.000 0.528 557 I N 3.326 123.947 120.570 0.084 0.000 2.474 557 I HA -0.034 4.136 4.170 0.001 0.000 0.287 557 I C 1.018 177.221 176.117 0.144 0.000 1.048 557 I CA -0.270 61.082 61.300 0.086 0.000 1.383 557 I CB 0.543 38.570 38.000 0.045 0.000 1.412 557 I HN 0.482 nan 8.210 nan 0.000 0.531 558 N N 9.093 127.874 118.700 0.136 0.000 2.408 558 N HA 0.225 4.966 4.740 0.001 0.000 0.257 558 N C -1.871 173.766 175.510 0.213 0.000 1.064 558 N CA -1.626 51.513 53.050 0.148 0.000 0.952 558 N CB 1.606 40.155 38.487 0.103 0.000 1.093 558 N HN 0.285 nan 8.380 nan 0.000 0.490 559 P HA 0.092 nan 4.420 nan 0.000 0.245 559 P C 0.144 177.524 177.300 0.133 0.000 1.206 559 P CA 0.425 63.657 63.100 0.220 0.000 0.781 559 P CB 0.551 32.338 31.700 0.144 0.000 0.994 560 N N -0.506 118.266 118.700 0.121 0.000 2.463 560 N HA 0.008 4.748 4.740 0.001 0.000 0.181 560 N C 0.833 176.430 175.510 0.145 0.000 1.078 560 N CA 0.340 53.447 53.050 0.095 0.000 0.902 560 N CB -0.540 37.993 38.487 0.077 0.000 0.970 560 N HN 0.049 nan 8.380 nan 0.000 0.451 561 S N 0.560 116.369 115.700 0.182 0.000 2.589 561 S HA 0.045 4.515 4.470 0.001 0.000 0.256 561 S C 0.335 175.018 174.600 0.138 0.000 1.383 561 S CA -0.377 57.924 58.200 0.167 0.000 0.983 561 S CB 0.495 63.802 63.200 0.179 0.000 0.908 561 S HN 0.233 nan 8.310 nan 0.000 0.572 562 L N 2.281 123.435 121.223 -0.114 0.000 2.276 562 L HA 0.386 4.726 4.340 0.001 0.000 0.286 562 L C -1.153 175.725 176.870 0.013 0.000 1.061 562 L CA -0.544 54.037 54.840 -0.432 0.000 0.807 562 L CB 0.108 41.602 42.059 -0.943 0.000 1.177 562 L HN 0.433 nan 8.230 nan 0.000 0.429 563 F N 3.442 123.269 119.950 -0.206 0.000 2.439 563 F HA 0.171 4.698 4.527 0.001 0.000 0.356 563 F C 0.353 176.084 175.800 -0.114 0.000 1.161 563 F CA -0.691 57.250 58.000 -0.098 0.000 1.151 563 F CB 0.081 39.067 39.000 -0.023 0.000 1.222 563 F HN 0.411 nan 8.300 nan 0.000 0.558 564 D N 3.354 123.734 120.400 -0.034 0.000 2.427 564 D HA 0.342 4.983 4.640 0.001 0.000 0.226 564 D C -1.200 175.034 176.300 -0.110 0.000 1.076 564 D CA -0.113 53.831 54.000 -0.093 0.000 0.849 564 D CB 1.332 42.057 40.800 -0.126 0.000 1.052 564 D HN 0.276 nan 8.370 nan 0.000 0.515 565 V N 4.507 124.347 119.914 -0.124 0.000 2.483 565 V HA 0.436 4.556 4.120 0.001 0.000 0.297 565 V C -1.354 174.591 176.094 -0.248 0.000 1.027 565 V CA -0.596 61.620 62.300 -0.141 0.000 0.855 565 V CB 1.705 33.516 31.823 -0.020 0.000 0.995 565 V HN 0.561 nan 8.190 nan 0.000 0.424 566 Q N 4.834 124.507 119.800 -0.211 0.000 2.348 566 Q HA 0.637 4.977 4.340 0.001 0.000 0.265 566 Q C -1.174 174.675 176.000 -0.251 0.000 0.998 566 Q CA -0.657 55.008 55.803 -0.231 0.000 0.831 566 Q CB 1.900 30.535 28.738 -0.171 0.000 1.251 566 Q HN 0.895 nan 8.270 nan 0.000 0.456 567 V N 1.829 121.581 119.914 -0.271 0.000 2.289 567 V HA 0.635 4.755 4.120 0.001 0.000 0.272 567 V C -0.784 175.073 176.094 -0.394 0.000 1.026 567 V CA -0.755 61.247 62.300 -0.497 0.000 0.807 567 V CB 0.767 32.055 31.823 -0.892 0.000 1.044 567 V HN 0.530 nan 8.190 nan 0.000 0.443 568 K N 2.266 122.500 120.400 -0.276 0.000 2.444 568 K HA 0.548 4.869 4.320 0.001 0.000 0.252 568 K C -0.373 176.178 176.600 -0.082 0.000 0.993 568 K CA -1.105 55.095 56.287 -0.145 0.000 0.847 568 K CB 2.878 35.299 32.500 -0.132 0.000 1.340 568 K HN 0.731 nan 8.250 nan 0.000 0.446 569 R N 1.549 122.040 120.500 -0.015 0.000 2.538 569 R HA -0.053 4.288 4.340 0.001 0.000 0.273 569 R C 0.091 176.401 176.300 0.017 0.000 0.967 569 R CA 0.077 56.200 56.100 0.037 0.000 1.101 569 R CB 0.182 30.500 30.300 0.031 0.000 0.908 569 R HN 0.370 nan 8.270 nan 0.000 0.411 570 I N 5.940 126.560 120.570 0.084 0.000 2.389 570 I HA 0.103 4.273 4.170 0.001 0.000 0.295 570 I C 0.253 176.426 176.117 0.093 0.000 1.117 570 I CA 0.561 61.896 61.300 0.057 0.000 1.317 570 I CB -0.341 37.705 38.000 0.076 0.000 1.431 570 I HN 0.589 nan 8.210 nan 0.000 0.521 571 H N 5.096 124.107 119.070 -0.098 0.000 2.996 571 H HA 0.217 4.773 4.556 0.001 0.000 0.368 571 H C 0.550 175.758 175.328 -0.199 0.000 1.185 571 H CA -0.368 55.641 56.048 -0.065 0.000 1.160 571 H CB 1.963 31.571 29.762 -0.256 0.000 1.820 571 H HN 0.545 nan 8.280 nan 0.000 0.547 572 E N 2.125 122.294 120.200 -0.052 0.000 2.086 572 E HA -0.291 4.060 4.350 0.001 0.000 0.200 572 E C 1.355 177.824 176.600 -0.218 0.000 1.012 572 E CA 2.308 58.702 56.400 -0.010 0.000 0.812 572 E CB -0.161 29.664 29.700 0.208 0.000 0.743 572 E HN 0.635 nan 8.360 nan 0.000 0.453 573 Y N 0.210 120.172 120.300 -0.564 0.000 2.509 573 Y HA 0.062 4.613 4.550 0.001 0.000 0.293 573 Y C 1.833 177.501 175.900 -0.386 0.000 1.133 573 Y CA 0.562 58.053 58.100 -1.015 0.000 1.283 573 Y CB 0.086 37.678 38.460 -1.447 0.000 1.001 573 Y HN -0.202 nan 8.280 nan 0.000 0.555 574 K N 0.890 120.932 120.400 -0.597 0.000 2.228 574 K HA 0.093 4.413 4.320 0.001 0.000 0.202 574 K C 0.390 176.874 176.600 -0.194 0.000 1.051 574 K CA 0.635 56.687 56.287 -0.392 0.000 0.960 574 K CB 0.063 32.309 32.500 -0.422 0.000 0.743 574 K HN 0.271 nan 8.250 nan 0.000 0.458 575 R N -0.013 120.391 120.500 -0.160 0.000 3.527 575 R HA -0.170 4.170 4.340 0.001 0.000 0.288 575 R C 0.447 176.694 176.300 -0.088 0.000 1.146 575 R CA 0.498 56.538 56.100 -0.099 0.000 0.778 575 R CB -1.648 28.599 30.300 -0.089 0.000 1.289 575 R HN 0.275 nan 8.270 nan 0.000 0.454 576 Q N 0.212 119.964 119.800 -0.080 0.000 2.268 576 Q HA -0.199 4.142 4.340 0.001 0.000 0.210 576 Q C 1.821 177.799 176.000 -0.036 0.000 0.988 576 Q CA 1.495 57.265 55.803 -0.055 0.000 0.883 576 Q CB -0.106 28.610 28.738 -0.037 0.000 0.911 576 Q HN 0.621 nan 8.270 nan 0.000 0.430 577 L N 0.034 121.234 121.223 -0.037 0.000 2.093 577 L HA -0.173 4.167 4.340 0.001 0.000 0.208 577 L C 2.345 179.225 176.870 0.016 0.000 1.085 577 L CA 0.444 55.272 54.840 -0.021 0.000 0.755 577 L CB -0.401 41.647 42.059 -0.017 0.000 0.904 577 L HN 0.181 nan 8.230 nan 0.000 0.435 578 L N 0.270 121.491 121.223 -0.004 0.000 1.994 578 L HA -0.255 4.085 4.340 0.001 0.000 0.208 578 L C 2.075 178.995 176.870 0.084 0.000 1.071 578 L CA 2.045 56.883 54.840 -0.002 0.000 0.745 578 L CB -0.838 41.105 42.059 -0.193 0.000 0.892 578 L HN 0.272 nan 8.230 nan 0.000 0.431 579 N N -1.737 116.988 118.700 0.041 0.000 2.094 579 N HA -0.270 4.471 4.740 0.001 0.000 0.191 579 N C 1.944 177.562 175.510 0.180 0.000 1.023 579 N CA 1.830 54.996 53.050 0.193 0.000 0.857 579 N CB -0.190 38.340 38.487 0.072 0.000 1.013 579 N HN 0.511 nan 8.380 nan 0.000 0.426 580 C N 0.135 119.477 119.300 0.070 0.000 2.425 580 C HA -0.027 4.433 4.460 0.001 0.000 0.277 580 C C 2.503 177.500 174.990 0.012 0.000 1.280 580 C CA 0.270 59.284 59.018 -0.006 0.000 1.744 580 C CB -1.165 26.523 27.740 -0.088 0.000 1.989 580 C HN 0.503 nan 8.230 nan 0.000 0.491 581 L N -0.189 121.094 121.223 0.100 0.000 2.027 581 L HA -0.170 4.171 4.340 0.001 0.000 0.206 581 L C 2.822 179.825 176.870 0.221 0.000 1.074 581 L CA 1.857 56.765 54.840 0.113 0.000 0.745 581 L CB -1.172 40.960 42.059 0.122 0.000 0.898 581 L HN 0.563 nan 8.230 nan 0.000 0.433 582 H N 0.327 119.553 119.070 0.260 0.000 2.290 582 H HA -0.167 4.389 4.556 0.001 0.000 0.298 582 H C 2.190 177.561 175.328 0.072 0.000 1.087 582 H CA 2.287 58.446 56.048 0.185 0.000 1.291 582 H CB 0.007 29.831 29.762 0.103 0.000 1.369 582 H HN 0.094 nan 8.280 nan 0.000 0.492 583 V N 1.604 121.483 119.914 -0.058 0.000 2.392 583 V HA -0.262 3.858 4.120 0.001 0.000 0.249 583 V C 2.892 178.938 176.094 -0.080 0.000 1.059 583 V CA 1.929 64.152 62.300 -0.129 0.000 1.051 583 V CB -0.504 31.312 31.823 -0.013 0.000 0.658 583 V HN 0.398 nan 8.190 nan 0.000 0.455 584 I N -0.335 120.218 120.570 -0.029 0.000 2.617 584 I HA -0.146 4.025 4.170 0.001 0.000 0.256 584 I C 2.363 178.529 176.117 0.083 0.000 1.167 584 I CA 1.385 62.728 61.300 0.072 0.000 1.469 584 I CB -0.603 37.418 38.000 0.036 0.000 1.098 584 I HN 0.312 nan 8.210 nan 0.000 0.436 585 T N 1.163 115.723 114.554 0.010 0.000 2.857 585 T HA -0.075 4.276 4.350 0.001 0.000 0.266 585 T C 1.871 176.533 174.700 -0.062 0.000 1.048 585 T CA 0.930 63.030 62.100 -0.000 0.000 1.139 585 T CB -0.194 68.715 68.868 0.069 0.000 0.874 585 T HN 0.080 nan 8.240 nan 0.000 0.455 586 L N 0.241 121.371 121.223 -0.155 0.000 2.131 586 L HA -0.004 4.336 4.340 0.001 0.000 0.210 586 L C 2.103 178.949 176.870 -0.040 0.000 1.092 586 L CA 1.421 56.166 54.840 -0.158 0.000 0.759 586 L CB -0.915 40.976 42.059 -0.281 0.000 0.903 586 L HN 0.303 nan 8.230 nan 0.000 0.435 587 Y N 0.550 120.797 120.300 -0.088 0.000 2.163 587 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 587 Y C 2.297 178.168 175.900 -0.049 0.000 1.136 587 Y CA 1.644 59.724 58.100 -0.032 0.000 1.147 587 Y CB -0.217 38.275 38.460 0.053 0.000 0.987 587 Y HN 0.272 nan 8.280 nan 0.000 0.509 588 N N 0.306 118.963 118.700 -0.072 0.000 2.453 588 N HA -0.091 4.649 4.740 0.001 0.000 0.183 588 N C 1.714 177.120 175.510 -0.172 0.000 1.041 588 N CA 0.986 53.929 53.050 -0.178 0.000 0.900 588 N CB -0.277 38.151 38.487 -0.099 0.000 0.961 588 N HN 0.454 nan 8.380 nan 0.000 0.443 589 R N 0.287 120.704 120.500 -0.138 0.000 2.062 589 R HA 0.177 4.517 4.340 0.001 0.000 0.226 589 R C 2.074 178.289 176.300 -0.141 0.000 1.125 589 R CA 0.736 56.765 56.100 -0.119 0.000 0.966 589 R CB -0.152 30.090 30.300 -0.096 0.000 0.861 589 R HN 0.187 nan 8.270 nan 0.000 0.433 590 I N 0.746 121.214 120.570 -0.171 0.000 2.286 590 I HA -0.200 3.971 4.170 0.001 0.000 0.245 590 I C 2.060 178.052 176.117 -0.207 0.000 1.104 590 I CA 1.063 62.261 61.300 -0.170 0.000 1.397 590 I CB -0.111 37.796 38.000 -0.155 0.000 1.072 590 I HN 0.027 nan 8.210 nan 0.000 0.417 591 K N 1.034 121.235 120.400 -0.332 0.000 2.632 591 K HA -0.099 4.222 4.320 0.001 0.000 0.196 591 K C 1.524 177.999 176.600 -0.208 0.000 1.023 591 K CA 0.653 56.742 56.287 -0.331 0.000 1.098 591 K CB 0.125 32.272 32.500 -0.588 0.000 0.862 591 K HN 0.193 nan 8.250 nan 0.000 0.504 592 K N -0.432 119.870 120.400 -0.163 0.000 2.550 592 K HA 0.072 4.392 4.320 0.001 0.000 0.205 592 K C -0.426 176.123 176.600 -0.085 0.000 1.429 592 K CA 0.150 56.370 56.287 -0.111 0.000 0.997 592 K CB 0.978 33.416 32.500 -0.104 0.000 1.328 592 K HN -0.040 nan 8.250 nan 0.000 0.546 593 E N 0.825 120.972 120.200 -0.089 0.000 3.786 593 E HA 0.155 4.506 4.350 0.001 0.000 0.215 593 E C -2.496 174.063 176.600 -0.068 0.000 1.188 593 E CA -1.557 54.804 56.400 -0.065 0.000 1.248 593 E CB 1.385 31.052 29.700 -0.053 0.000 1.260 593 E HN 0.082 nan 8.360 nan 0.000 0.426 594 P HA -0.207 nan 4.420 nan 0.000 0.216 594 P C 0.983 178.249 177.300 -0.056 0.000 1.154 594 P CA 1.339 64.397 63.100 -0.070 0.000 0.865 594 P CB 0.439 32.105 31.700 -0.058 0.000 0.789 595 N N -0.414 118.266 118.700 -0.033 0.000 2.093 595 N HA -0.089 4.652 4.740 0.001 0.000 0.191 595 N C 0.545 176.059 175.510 0.006 0.000 1.062 595 N CA 0.542 53.588 53.050 -0.008 0.000 0.854 595 N CB -1.219 37.272 38.487 0.006 0.000 1.043 595 N HN 0.030 nan 8.380 nan 0.000 0.438 596 K N 1.441 121.851 120.400 0.016 0.000 2.790 596 K HA -0.213 4.107 4.320 0.001 0.000 0.244 596 K C -0.644 175.992 176.600 0.060 0.000 1.188 596 K CA -0.044 56.266 56.287 0.039 0.000 1.186 596 K CB -1.026 31.478 32.500 0.006 0.000 1.014 596 K HN 0.135 nan 8.250 nan 0.000 0.523 597 F N 3.910 123.847 119.950 -0.022 0.000 2.635 597 F HA 0.008 4.536 4.527 0.001 0.000 0.379 597 F C 0.021 175.808 175.800 -0.021 0.000 1.094 597 F CA 0.575 58.563 58.000 -0.019 0.000 1.300 597 F CB 0.560 39.551 39.000 -0.014 0.000 1.035 597 F HN 0.196 nan 8.300 nan 0.000 0.581 598 V N 7.509 127.055 119.914 -0.614 0.000 2.851 598 V HA 0.467 4.588 4.120 0.001 0.000 0.307 598 V C -1.095 174.623 176.094 -0.626 0.000 1.129 598 V CA -0.806 61.275 62.300 -0.365 0.000 0.932 598 V CB 2.055 33.764 31.823 -0.190 0.000 1.024 598 V HN 0.682 nan 8.190 nan 0.000 0.426 599 V N 6.966 126.751 119.914 -0.216 0.000 2.763 599 V HA 0.300 4.421 4.120 0.001 0.000 0.306 599 V C -1.879 174.132 176.094 -0.137 0.000 1.059 599 V CA -0.966 61.290 62.300 -0.074 0.000 1.138 599 V CB 0.328 32.232 31.823 0.134 0.000 0.940 599 V HN 0.874 nan 8.190 nan 0.000 0.489 600 P HA 0.442 nan 4.420 nan 0.000 0.276 600 P C -0.796 176.456 177.300 -0.081 0.000 1.230 600 P CA -0.421 62.632 63.100 -0.078 0.000 0.776 600 P CB 0.794 32.486 31.700 -0.014 0.000 0.888 601 R N 0.727 121.177 120.500 -0.082 0.000 2.574 601 R HA 0.474 4.814 4.340 0.001 0.000 0.288 601 R C -0.333 175.922 176.300 -0.076 0.000 1.004 601 R CA -0.578 55.466 56.100 -0.095 0.000 0.895 601 R CB 1.862 32.101 30.300 -0.102 0.000 1.191 601 R HN 0.433 nan 8.270 nan 0.000 0.444 602 T N -0.724 113.775 114.554 -0.093 0.000 2.753 602 T HA 0.379 4.729 4.350 0.001 0.000 0.297 602 T C 0.063 174.644 174.700 -0.198 0.000 0.981 602 T CA -0.711 61.281 62.100 -0.180 0.000 0.956 602 T CB 1.051 69.701 68.868 -0.364 0.000 0.936 602 T HN 0.126 nan 8.240 nan 0.000 0.463 603 V N 5.908 125.734 119.914 -0.147 0.000 2.385 603 V HA 0.402 4.522 4.120 0.001 0.000 0.269 603 V C 0.170 176.175 176.094 -0.148 0.000 1.043 603 V CA -0.427 61.801 62.300 -0.121 0.000 0.906 603 V CB 0.595 32.381 31.823 -0.061 0.000 0.995 603 V HN 0.923 nan 8.190 nan 0.000 0.467 604 M N 6.777 126.279 119.600 -0.163 0.000 2.190 604 M HA 0.599 5.080 4.480 0.001 0.000 0.312 604 M C -1.104 175.085 176.300 -0.185 0.000 0.990 604 M CA -0.217 54.973 55.300 -0.183 0.000 0.927 604 M CB 2.128 34.615 32.600 -0.189 0.000 1.571 604 M HN 0.413 nan 8.290 nan 0.000 0.427 605 I N 1.862 122.295 120.570 -0.228 0.000 2.465 605 I HA 0.781 4.952 4.170 0.001 0.000 0.291 605 I C 0.131 175.911 176.117 -0.562 0.000 1.014 605 I CA -0.640 60.494 61.300 -0.276 0.000 1.093 605 I CB 2.323 40.243 38.000 -0.133 0.000 1.267 605 I HN 0.787 nan 8.210 nan 0.000 0.431 606 G N 3.135 111.624 108.800 -0.519 0.000 2.682 606 G HA2 0.804 4.764 3.960 0.001 0.000 0.300 606 G HA3 0.804 4.764 3.960 0.001 0.000 0.300 606 G C -0.972 173.683 174.900 -0.408 0.000 1.391 606 G CA -0.804 43.930 45.100 -0.611 0.000 0.990 606 G HN 0.963 nan 8.290 nan 0.000 0.501 607 G N 0.173 108.872 108.800 -0.169 0.000 2.361 607 G HA2 0.448 4.409 3.960 0.001 0.000 0.299 607 G HA3 0.448 4.409 3.960 0.001 0.000 0.299 607 G C -1.345 173.702 174.900 0.245 0.000 1.544 607 G CA -1.057 44.076 45.100 0.056 0.000 0.860 607 G HN 0.617 nan 8.290 nan 0.000 0.610 608 K N 0.172 120.726 120.400 0.257 0.000 2.172 608 K HA 0.688 5.009 4.320 0.001 0.000 0.276 608 K C 0.356 177.149 176.600 0.321 0.000 1.013 608 K CA -0.228 56.259 56.287 0.333 0.000 0.913 608 K CB 2.020 34.674 32.500 0.257 0.000 1.055 608 K HN 0.776 nan 8.250 nan 0.000 0.461 609 A N 1.880 124.904 122.820 0.341 0.000 2.327 609 A HA 0.537 4.858 4.320 0.001 0.000 0.283 609 A C -0.124 177.659 177.584 0.332 0.000 1.127 609 A CA -0.623 51.570 52.037 0.261 0.000 0.810 609 A CB 0.588 19.663 19.000 0.125 0.000 1.066 609 A HN 0.804 nan 8.150 nan 0.000 0.492 610 A N 4.503 127.532 122.820 0.348 0.000 2.548 610 A HA 0.488 4.808 4.320 0.001 0.000 0.247 610 A C -2.028 175.680 177.584 0.205 0.000 1.067 610 A CA -0.870 51.355 52.037 0.313 0.000 0.757 610 A CB -0.607 18.574 19.000 0.301 0.000 0.996 610 A HN 0.649 nan 8.150 nan 0.000 0.504 611 P HA 0.170 nan 4.420 nan 0.000 0.268 611 P C 0.908 178.244 177.300 0.060 0.000 1.205 611 P CA 1.392 64.476 63.100 -0.026 0.000 0.771 611 P CB 0.709 32.329 31.700 -0.132 0.000 0.858 612 G N 1.553 110.386 108.800 0.055 0.000 2.155 612 G HA2 -0.289 3.671 3.960 0.001 0.000 0.257 612 G HA3 -0.289 3.671 3.960 0.001 0.000 0.257 612 G C -0.260 174.752 174.900 0.187 0.000 0.983 612 G CA 0.068 45.220 45.100 0.087 0.000 0.676 612 G HN 0.629 nan 8.290 nan 0.000 0.528 613 Y N 1.765 122.092 120.300 0.045 0.000 2.595 613 Y HA 0.477 5.028 4.550 0.001 0.000 0.336 613 Y C 1.233 177.176 175.900 0.072 0.000 0.996 613 Y CA -1.227 56.906 58.100 0.055 0.000 1.260 613 Y CB -0.278 38.204 38.460 0.037 0.000 1.108 613 Y HN 0.351 nan 8.280 nan 0.000 0.509 614 H N 4.206 123.334 119.070 0.097 0.000 2.321 614 H HA -0.166 4.390 4.556 0.001 0.000 0.300 614 H C 1.609 176.863 175.328 -0.125 0.000 1.087 614 H CA 2.162 58.202 56.048 -0.014 0.000 1.319 614 H CB 0.418 30.200 29.762 0.033 0.000 1.379 614 H HN 0.671 nan 8.280 nan 0.000 0.501 615 M N 1.198 120.639 119.600 -0.265 0.000 2.073 615 M HA -0.150 4.330 4.480 0.001 0.000 0.258 615 M C 2.639 178.628 176.300 -0.518 0.000 1.070 615 M CA 2.065 57.148 55.300 -0.361 0.000 1.103 615 M CB -0.882 31.601 32.600 -0.196 0.000 1.321 615 M HN 0.342 nan 8.290 nan 0.000 0.405 616 A N -0.467 121.786 122.820 -0.945 0.000 1.892 616 A HA -0.266 4.055 4.320 0.001 0.000 0.218 616 A C 2.220 179.637 177.584 -0.277 0.000 1.188 616 A CA 2.332 54.004 52.037 -0.609 0.000 0.631 616 A CB -0.815 17.776 19.000 -0.681 0.000 0.822 616 A HN 0.614 nan 8.150 nan 0.000 0.447 617 K N -1.339 118.925 120.400 -0.228 0.000 2.147 617 K HA -0.089 4.231 4.320 0.001 0.000 0.205 617 K C 2.025 178.623 176.600 -0.004 0.000 1.049 617 K CA 1.442 57.699 56.287 -0.049 0.000 0.936 617 K CB -0.194 32.315 32.500 0.017 0.000 0.722 617 K HN 0.371 nan 8.250 nan 0.000 0.446 618 M N 0.267 119.790 119.600 -0.127 0.000 2.200 618 M HA -0.061 4.420 4.480 0.001 0.000 0.265 618 M C 2.071 178.339 176.300 -0.054 0.000 1.066 618 M CA 1.414 56.664 55.300 -0.084 0.000 1.127 618 M CB -0.518 31.987 32.600 -0.158 0.000 1.379 618 M HN 0.138 nan 8.290 nan 0.000 0.420 619 I N -0.216 120.296 120.570 -0.097 0.000 2.315 619 I HA -0.287 3.883 4.170 0.001 0.000 0.248 619 I C 2.274 178.336 176.117 -0.092 0.000 1.117 619 I CA 1.067 62.323 61.300 -0.074 0.000 1.404 619 I CB -0.340 37.607 38.000 -0.088 0.000 1.071 619 I HN 0.175 nan 8.210 nan 0.000 0.419 620 I N 0.728 121.215 120.570 -0.139 0.000 2.286 620 I HA -0.277 3.893 4.170 0.001 0.000 0.248 620 I C 2.556 178.425 176.117 -0.413 0.000 1.115 620 I CA 1.171 62.290 61.300 -0.302 0.000 1.392 620 I CB -0.250 37.541 38.000 -0.349 0.000 1.065 620 I HN 0.144 nan 8.210 nan 0.000 0.418 621 K N 1.404 121.571 120.400 -0.389 0.000 2.148 621 K HA -0.103 4.217 4.320 0.001 0.000 0.204 621 K C 1.979 178.465 176.600 -0.189 0.000 1.050 621 K CA 1.220 57.178 56.287 -0.547 0.000 0.942 621 K CB -0.370 31.504 32.500 -1.043 0.000 0.724 621 K HN 0.209 nan 8.250 nan 0.000 0.446 622 L N 0.452 121.670 121.223 -0.009 0.000 1.955 622 L HA -0.183 4.158 4.340 0.001 0.000 0.213 622 L C 2.096 178.847 176.870 -0.198 0.000 1.072 622 L CA 1.880 56.665 54.840 -0.091 0.000 0.755 622 L CB -0.366 41.592 42.059 -0.168 0.000 0.888 622 L HN 0.228 nan 8.230 nan 0.000 0.432 623 I N -0.207 120.276 120.570 -0.145 0.000 2.399 623 I HA -0.325 3.846 4.170 0.001 0.000 0.254 623 I C 2.368 178.447 176.117 -0.065 0.000 1.146 623 I CA 1.791 63.048 61.300 -0.072 0.000 1.412 623 I CB -0.609 37.457 38.000 0.110 0.000 1.076 623 I HN 0.511 nan 8.210 nan 0.000 0.432 624 T N -2.158 112.315 114.554 -0.136 0.000 3.044 624 T HA 0.240 4.591 4.350 0.001 0.000 0.255 624 T C 1.988 176.644 174.700 -0.074 0.000 1.073 624 T CA 0.478 62.515 62.100 -0.106 0.000 1.125 624 T CB -0.067 68.685 68.868 -0.193 0.000 0.908 624 T HN 0.271 nan 8.240 nan 0.000 0.480 625 A N 2.107 124.882 122.820 -0.076 0.000 1.858 625 A HA 0.115 4.435 4.320 0.001 0.000 0.216 625 A C 2.317 179.932 177.584 0.052 0.000 1.190 625 A CA 1.404 53.455 52.037 0.023 0.000 0.617 625 A CB -0.989 18.105 19.000 0.157 0.000 0.827 625 A HN 0.533 nan 8.150 nan 0.000 0.443 626 I N -0.089 120.406 120.570 -0.125 0.000 2.194 626 I HA -0.291 3.879 4.170 0.001 0.000 0.246 626 I C 2.714 178.825 176.117 -0.010 0.000 1.093 626 I CA 1.192 62.409 61.300 -0.138 0.000 1.355 626 I CB -0.810 36.968 38.000 -0.371 0.000 1.046 626 I HN 0.426 nan 8.210 nan 0.000 0.413 627 G N 0.984 109.769 108.800 -0.024 0.000 2.553 627 G HA2 -0.324 3.636 3.960 0.001 0.000 0.218 627 G HA3 -0.324 3.636 3.960 0.001 0.000 0.218 627 G C 1.205 176.140 174.900 0.058 0.000 1.195 627 G CA 1.537 46.644 45.100 0.012 0.000 0.779 627 G HN 0.336 nan 8.290 nan 0.000 0.577 628 D N 0.207 120.661 120.400 0.090 0.000 2.087 628 D HA -0.108 4.533 4.640 0.001 0.000 0.192 628 D C 2.813 179.239 176.300 0.209 0.000 0.993 628 D CA 1.233 55.342 54.000 0.182 0.000 0.828 628 D CB -1.025 39.822 40.800 0.078 0.000 0.968 628 D HN 0.199 nan 8.370 nan 0.000 0.448 629 V N 1.464 121.427 119.914 0.081 0.000 2.252 629 V HA -0.242 3.878 4.120 0.001 0.000 0.249 629 V C 2.795 178.888 176.094 -0.001 0.000 1.056 629 V CA 2.125 64.416 62.300 -0.014 0.000 1.022 629 V CB -0.793 30.951 31.823 -0.132 0.000 0.641 629 V HN 0.215 nan 8.190 nan 0.000 0.445 630 V N -1.032 118.854 119.914 -0.046 0.000 2.453 630 V HA -0.078 4.042 4.120 0.001 0.000 0.247 630 V C 1.868 178.002 176.094 0.068 0.000 1.048 630 V CA 2.154 64.444 62.300 -0.017 0.000 1.049 630 V CB -0.913 30.871 31.823 -0.066 0.000 0.672 630 V HN 0.538 nan 8.190 nan 0.000 0.457 631 N N 0.084 118.794 118.700 0.017 0.000 2.461 631 N HA 0.023 4.764 4.740 0.001 0.000 0.188 631 N C 1.063 176.433 175.510 -0.234 0.000 1.134 631 N CA 0.993 53.990 53.050 -0.088 0.000 0.878 631 N CB -0.295 38.114 38.487 -0.129 0.000 0.972 631 N HN 0.767 nan 8.380 nan 0.000 0.456 632 H N -1.503 117.583 119.070 0.027 0.000 2.986 632 H HA 0.190 4.747 4.556 0.001 0.000 0.267 632 H C -0.452 174.892 175.328 0.028 0.000 1.072 632 H CA -0.444 55.617 56.048 0.020 0.000 1.202 632 H CB 0.611 30.375 29.762 0.004 0.000 1.535 632 H HN -0.007 nan 8.280 nan 0.000 0.522 633 D N 1.594 122.082 120.400 0.147 0.000 2.338 633 D HA 0.034 4.675 4.640 0.001 0.000 0.255 633 D C -1.507 174.841 176.300 0.081 0.000 1.237 633 D CA -1.887 52.196 54.000 0.139 0.000 0.883 633 D CB 1.355 42.311 40.800 0.259 0.000 1.087 633 D HN 0.075 nan 8.370 nan 0.000 0.485 634 P HA -0.146 nan 4.420 nan 0.000 0.216 634 P C 1.536 178.835 177.300 -0.001 0.000 1.153 634 P CA 0.335 63.444 63.100 0.015 0.000 0.848 634 P CB 0.255 31.962 31.700 0.012 0.000 0.787 635 V N -0.022 119.893 119.914 0.001 0.000 2.282 635 V HA -0.240 3.881 4.120 0.001 0.000 0.249 635 V C 2.461 178.535 176.094 -0.033 0.000 1.057 635 V CA 2.032 64.318 62.300 -0.025 0.000 1.032 635 V CB -1.289 30.508 31.823 -0.043 0.000 0.645 635 V HN -0.032 nan 8.190 nan 0.000 0.447 636 V N -0.128 119.781 119.914 -0.008 0.000 2.490 636 V HA -0.016 4.104 4.120 0.001 0.000 0.250 636 V C 1.896 177.972 176.094 -0.030 0.000 1.061 636 V CA 1.486 63.782 62.300 -0.007 0.000 1.064 636 V CB -1.738 30.127 31.823 0.070 0.000 0.670 636 V HN 0.779 nan 8.190 nan 0.000 0.461 637 G N 1.775 110.555 108.800 -0.034 0.000 2.622 637 G HA2 -0.402 3.559 3.960 0.001 0.000 0.307 637 G HA3 -0.402 3.559 3.960 0.001 0.000 0.307 637 G C 0.282 175.141 174.900 -0.068 0.000 1.226 637 G CA 0.613 45.675 45.100 -0.063 0.000 0.997 637 G HN 0.768 nan 8.290 nan 0.000 0.551 638 D N 0.211 120.570 120.400 -0.068 0.000 2.559 638 D HA 0.288 4.929 4.640 0.001 0.000 0.234 638 D C 1.697 177.979 176.300 -0.031 0.000 1.226 638 D CA -0.034 53.941 54.000 -0.040 0.000 0.830 638 D CB -0.015 40.771 40.800 -0.023 0.000 1.028 638 D HN 0.616 nan 8.370 nan 0.000 0.492 639 R N -0.353 120.116 120.500 -0.050 0.000 2.127 639 R HA 0.218 4.558 4.340 0.001 0.000 0.217 639 R C 0.345 176.607 176.300 -0.065 0.000 1.074 639 R CA 0.266 56.319 56.100 -0.078 0.000 0.991 639 R CB 0.475 30.705 30.300 -0.116 0.000 0.895 639 R HN 0.174 nan 8.270 nan 0.000 0.450 640 L N 1.056 122.258 121.223 -0.035 0.000 2.436 640 L HA 0.469 4.809 4.340 0.001 0.000 0.268 640 L C -1.426 175.434 176.870 -0.016 0.000 0.974 640 L CA -0.593 54.232 54.840 -0.025 0.000 0.826 640 L CB 1.932 43.990 42.059 -0.001 0.000 1.291 640 L HN 0.020 nan 8.230 nan 0.000 0.406 641 R N 3.553 124.030 120.500 -0.039 0.000 2.621 641 R HA 0.630 4.971 4.340 0.001 0.000 0.292 641 R C -1.360 174.900 176.300 -0.067 0.000 0.969 641 R CA -0.679 55.391 56.100 -0.050 0.000 0.887 641 R CB 2.505 32.767 30.300 -0.064 0.000 1.180 641 R HN 0.418 nan 8.270 nan 0.000 0.450 642 V N 5.132 125.013 119.914 -0.056 0.000 2.350 642 V HA 0.507 4.627 4.120 0.001 0.000 0.285 642 V C 0.160 176.222 176.094 -0.055 0.000 1.014 642 V CA -0.557 61.709 62.300 -0.056 0.000 0.831 642 V CB 1.647 33.446 31.823 -0.042 0.000 1.000 642 V HN 0.578 nan 8.190 nan 0.000 0.433 643 I N 4.608 125.123 120.570 -0.090 0.000 2.509 643 I HA 0.462 4.633 4.170 0.001 0.000 0.293 643 I C -1.039 175.037 176.117 -0.068 0.000 1.020 643 I CA -0.627 60.601 61.300 -0.120 0.000 1.088 643 I CB 2.300 40.134 38.000 -0.276 0.000 1.267 643 I HN 0.539 nan 8.210 nan 0.000 0.430 644 F N 7.147 127.023 119.950 -0.123 0.000 2.385 644 F HA 0.454 4.981 4.527 0.001 0.000 0.360 644 F C -0.441 175.329 175.800 -0.049 0.000 1.122 644 F CA -0.552 57.412 58.000 -0.061 0.000 1.090 644 F CB 0.746 39.748 39.000 0.003 0.000 1.150 644 F HN 0.197 nan 8.300 nan 0.000 0.472 645 L N 5.942 126.864 121.223 -0.502 0.000 2.485 645 L HA 0.140 4.480 4.340 0.001 0.000 0.279 645 L C 0.392 177.285 176.870 0.038 0.000 1.124 645 L CA -0.056 54.677 54.840 -0.177 0.000 0.888 645 L CB 0.312 42.316 42.059 -0.093 0.000 1.217 645 L HN 0.639 nan 8.230 nan 0.000 0.464 646 E N 4.267 124.749 120.200 0.470 0.000 2.384 646 E HA -0.098 4.253 4.350 0.001 0.000 0.266 646 E C 0.435 177.249 176.600 0.356 0.000 1.012 646 E CA -0.318 56.362 56.400 0.468 0.000 0.901 646 E CB 0.370 30.305 29.700 0.391 0.000 0.967 646 E HN 0.547 nan 8.360 nan 0.000 0.435 647 N N 2.829 121.732 118.700 0.338 0.000 2.671 647 N HA -0.286 4.454 4.740 0.001 0.000 0.261 647 N C -1.723 173.935 175.510 0.246 0.000 1.053 647 N CA 0.578 53.786 53.050 0.263 0.000 0.732 647 N CB -1.374 37.241 38.487 0.214 0.000 0.887 647 N HN 0.512 nan 8.380 nan 0.000 0.546 648 Y N 1.915 122.291 120.300 0.127 0.000 2.526 648 Y HA 0.257 4.807 4.550 0.001 0.000 0.330 648 Y C 1.173 177.135 175.900 0.105 0.000 1.156 648 Y CA 0.502 58.661 58.100 0.098 0.000 1.419 648 Y CB 0.383 38.875 38.460 0.054 0.000 1.250 648 Y HN 0.423 nan 8.280 nan 0.000 0.540 649 R N 2.426 122.621 120.500 -0.509 0.000 2.829 649 R HA 0.341 4.682 4.340 0.001 0.000 0.267 649 R C -0.517 175.428 176.300 -0.591 0.000 1.051 649 R CA -0.410 55.444 56.100 -0.409 0.000 0.927 649 R CB 0.198 30.426 30.300 -0.119 0.000 1.292 649 R HN 0.400 nan 8.270 nan 0.000 0.445 650 V N 1.213 120.785 119.914 -0.570 0.000 2.392 650 V HA -0.255 3.865 4.120 0.001 0.000 0.249 650 V C 2.443 178.396 176.094 -0.234 0.000 1.059 650 V CA 2.792 64.843 62.300 -0.416 0.000 1.051 650 V CB -0.778 30.739 31.823 -0.511 0.000 0.658 650 V HN 0.864 nan 8.190 nan 0.000 0.455 651 S N -1.028 114.538 115.700 -0.223 0.000 2.458 651 S HA 0.053 4.524 4.470 0.001 0.000 0.223 651 S C 1.900 176.435 174.600 -0.108 0.000 1.019 651 S CA 0.548 58.654 58.200 -0.157 0.000 0.937 651 S CB -0.248 62.876 63.200 -0.127 0.000 0.788 651 S HN 0.480 nan 8.310 nan 0.000 0.511 652 L N 0.634 121.794 121.223 -0.105 0.000 2.395 652 L HA 0.165 4.506 4.340 0.001 0.000 0.218 652 L C 2.614 179.508 176.870 0.040 0.000 1.130 652 L CA 0.984 55.825 54.840 0.001 0.000 0.826 652 L CB -0.516 41.594 42.059 0.085 0.000 0.941 652 L HN 0.522 nan 8.230 nan 0.000 0.451 653 A N 0.377 123.149 122.820 -0.079 0.000 1.903 653 A HA -0.153 4.167 4.320 0.001 0.000 0.213 653 A C 1.950 179.627 177.584 0.154 0.000 1.185 653 A CA 0.898 52.965 52.037 0.050 0.000 0.628 653 A CB -0.287 18.690 19.000 -0.038 0.000 0.830 653 A HN 0.595 nan 8.150 nan 0.000 0.446 654 E N 0.196 120.497 120.200 0.168 0.000 2.472 654 E HA -0.123 4.228 4.350 0.001 0.000 0.200 654 E C 1.380 177.994 176.600 0.023 0.000 1.046 654 E CA 0.995 57.460 56.400 0.109 0.000 0.871 654 E CB -0.104 29.487 29.700 -0.182 0.000 0.806 654 E HN 0.602 nan 8.360 nan 0.000 0.533 655 K N 0.556 120.973 120.400 0.029 0.000 2.108 655 K HA 0.044 4.364 4.320 0.001 0.000 0.204 655 K C 2.171 178.723 176.600 -0.080 0.000 1.036 655 K CA 0.701 57.030 56.287 0.070 0.000 0.965 655 K CB -0.135 32.466 32.500 0.169 0.000 0.804 655 K HN -0.034 nan 8.250 nan 0.000 0.454 656 V N 2.156 121.960 119.914 -0.184 0.000 2.407 656 V HA -0.203 3.918 4.120 0.001 0.000 0.248 656 V C 1.954 177.817 176.094 -0.385 0.000 1.055 656 V CA 1.511 63.435 62.300 -0.626 0.000 1.049 656 V CB -0.237 31.450 31.823 -0.226 0.000 0.662 656 V HN 0.265 nan 8.190 nan 0.000 0.455 657 I N 0.230 120.630 120.570 -0.284 0.000 2.179 657 I HA -0.127 4.044 4.170 0.001 0.000 0.242 657 I C -0.116 175.862 176.117 -0.232 0.000 1.088 657 I CA 1.586 62.617 61.300 -0.449 0.000 1.357 657 I CB -1.463 36.173 38.000 -0.606 0.000 1.051 657 I HN 0.348 nan 8.210 nan 0.000 0.409 658 P HA -0.191 nan 4.420 nan 0.000 0.218 658 P C 0.727 177.998 177.300 -0.049 0.000 1.146 658 P CA 1.568 64.631 63.100 -0.062 0.000 0.813 658 P CB -0.010 31.672 31.700 -0.031 0.000 0.778 659 A N -1.936 120.826 122.820 -0.097 0.000 2.460 659 A HA 0.563 4.883 4.320 0.001 0.000 0.258 659 A C 0.887 178.495 177.584 0.039 0.000 1.300 659 A CA -0.077 51.922 52.037 -0.064 0.000 0.913 659 A CB -0.545 18.428 19.000 -0.044 0.000 1.031 659 A HN 0.179 nan 8.150 nan 0.000 0.512 660 A N -0.535 122.348 122.820 0.104 0.000 2.304 660 A HA 0.569 4.889 4.320 0.001 0.000 0.301 660 A C 0.282 178.016 177.584 0.250 0.000 1.132 660 A CA -0.325 51.864 52.037 0.253 0.000 0.819 660 A CB 0.571 19.848 19.000 0.462 0.000 1.094 660 A HN 0.247 nan 8.150 nan 0.000 0.492 661 D N 0.148 120.706 120.400 0.263 0.000 2.725 661 D HA 0.125 4.766 4.640 0.001 0.000 0.269 661 D C 0.024 176.540 176.300 0.360 0.000 1.018 661 D CA 0.575 54.810 54.000 0.392 0.000 0.956 661 D CB 0.246 41.152 40.800 0.177 0.000 1.141 661 D HN 0.360 nan 8.370 nan 0.000 0.478 662 L N 1.475 122.782 121.223 0.140 0.000 2.313 662 L HA 0.311 4.652 4.340 0.001 0.000 0.283 662 L C -0.638 176.129 176.870 -0.172 0.000 1.013 662 L CA -0.241 54.599 54.840 0.001 0.000 0.816 662 L CB 1.850 43.857 42.059 -0.087 0.000 1.236 662 L HN -0.140 nan 8.230 nan 0.000 0.419 663 S N 4.571 120.106 115.700 -0.275 0.000 2.422 663 S HA 0.284 4.754 4.470 0.001 0.000 0.298 663 S C -0.283 174.085 174.600 -0.386 0.000 1.118 663 S CA -0.657 57.164 58.200 -0.633 0.000 1.083 663 S CB 0.544 63.364 63.200 -0.633 0.000 0.971 663 S HN 0.580 nan 8.310 nan 0.000 0.478 664 E N 4.178 124.143 120.200 -0.391 0.000 2.001 664 E HA 0.189 4.540 4.350 0.001 0.000 0.279 664 E C -0.779 175.732 176.600 -0.150 0.000 1.045 664 E CA -0.218 56.072 56.400 -0.183 0.000 0.833 664 E CB 1.174 30.787 29.700 -0.146 0.000 1.077 664 E HN 0.582 nan 8.360 nan 0.000 0.397 665 Q N 2.269 122.039 119.800 -0.050 0.000 2.700 665 Q HA 0.273 4.614 4.340 0.001 0.000 0.249 665 Q C 0.288 176.316 176.000 0.047 0.000 1.033 665 Q CA -0.030 55.760 55.803 -0.021 0.000 0.804 665 Q CB 0.287 29.017 28.738 -0.013 0.000 1.164 665 Q HN 0.563 nan 8.270 nan 0.000 0.500 666 I N -2.455 118.130 120.570 0.025 0.000 3.707 666 I HA 0.470 4.641 4.170 0.001 0.000 0.330 666 I C -0.045 176.059 176.117 -0.022 0.000 1.572 666 I CA -0.554 60.780 61.300 0.057 0.000 1.104 666 I CB 1.039 39.077 38.000 0.064 0.000 1.240 666 I HN 0.022 nan 8.210 nan 0.000 0.475 667 S N 1.765 117.454 115.700 -0.019 0.000 2.573 667 S HA 0.135 4.606 4.470 0.001 0.000 0.277 667 S C 0.677 175.268 174.600 -0.015 0.000 1.346 667 S CA 0.062 58.264 58.200 0.003 0.000 1.034 667 S CB 0.533 63.774 63.200 0.068 0.000 0.879 667 S HN 0.483 nan 8.310 nan 0.000 0.528 668 T N 3.255 117.820 114.554 0.019 0.000 2.928 668 T HA 0.272 4.622 4.350 0.001 0.000 0.305 668 T C 0.535 175.226 174.700 -0.015 0.000 1.035 668 T CA -0.254 61.852 62.100 0.010 0.000 1.145 668 T CB 0.314 69.250 68.868 0.113 0.000 0.963 668 T HN 0.746 nan 8.240 nan 0.000 0.545 669 A N 2.334 125.122 122.820 -0.052 0.000 2.546 669 A HA 0.475 4.796 4.320 0.001 0.000 0.243 669 A C 1.558 179.118 177.584 -0.040 0.000 1.063 669 A CA 0.195 52.199 52.037 -0.056 0.000 0.757 669 A CB -0.866 18.092 19.000 -0.070 0.000 0.991 669 A HN 1.780 nan 8.150 nan 0.000 0.503 670 G N 1.533 110.304 108.800 -0.048 0.000 2.149 670 G HA2 -0.172 3.788 3.960 0.001 0.000 0.235 670 G HA3 -0.172 3.788 3.960 0.001 0.000 0.235 670 G C 0.615 175.465 174.900 -0.084 0.000 1.018 670 G CA 1.200 46.268 45.100 -0.054 0.000 0.728 670 G HN 2.169 nan 8.290 nan 0.000 0.508 671 T N -3.782 110.704 114.554 -0.114 0.000 2.975 671 T HA 0.398 4.748 4.350 0.001 0.000 0.261 671 T C 0.275 174.809 174.700 -0.276 0.000 0.984 671 T CA 0.391 62.336 62.100 -0.259 0.000 0.911 671 T CB 0.773 69.428 68.868 -0.355 0.000 1.127 671 T HN 0.189 nan 8.240 nan 0.000 0.514 672 E N 1.310 121.437 120.200 -0.123 0.000 2.133 672 E HA 0.648 4.999 4.350 0.001 0.000 0.274 672 E C 0.820 177.347 176.600 -0.123 0.000 0.930 672 E CA -0.165 56.187 56.400 -0.079 0.000 0.770 672 E CB 1.762 31.455 29.700 -0.012 0.000 1.104 672 E HN 0.318 nan 8.360 nan 0.000 0.403 673 A N 2.753 125.452 122.820 -0.202 0.000 1.877 673 A HA -0.139 4.181 4.320 0.001 0.000 0.216 673 A C 1.804 179.272 177.584 -0.194 0.000 1.186 673 A CA 2.218 54.023 52.037 -0.386 0.000 0.620 673 A CB 0.151 18.741 19.000 -0.683 0.000 0.822 673 A HN 0.551 nan 8.150 nan 0.000 0.443 674 S N -3.771 111.866 115.700 -0.106 0.000 4.640 674 S HA 0.478 4.949 4.470 0.001 0.000 0.157 674 S C 0.461 175.048 174.600 -0.023 0.000 0.963 674 S CA 1.406 59.584 58.200 -0.037 0.000 1.235 674 S CB 0.124 63.323 63.200 -0.002 0.000 1.848 674 S HN 2.219 nan 8.310 nan 0.000 0.751 675 G N 0.111 108.907 108.800 -0.008 0.000 2.788 675 G HA2 0.031 3.991 3.960 0.001 0.000 0.686 675 G HA3 0.031 3.991 3.960 0.001 0.000 0.686 675 G C -0.004 174.883 174.900 -0.021 0.000 1.147 675 G CA 0.222 45.316 45.100 -0.009 0.000 0.755 675 G HN 0.662 nan 8.290 nan 0.000 0.634 676 T N 0.690 115.226 114.554 -0.030 0.000 3.048 676 T HA 0.284 4.634 4.350 0.001 0.000 0.254 676 T C 2.424 177.047 174.700 -0.129 0.000 0.942 676 T CA 1.573 63.636 62.100 -0.063 0.000 0.931 676 T CB -0.247 68.599 68.868 -0.036 0.000 1.220 676 T HN 1.609 nan 8.240 nan 0.000 0.503 677 G N 1.868 110.611 108.800 -0.095 0.000 2.462 677 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 677 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 677 G C 1.434 176.370 174.900 0.060 0.000 1.121 677 G CA 1.131 46.185 45.100 -0.077 0.000 0.758 677 G HN 0.428 nan 8.290 nan 0.000 0.559 678 N N 0.428 119.149 118.700 0.035 0.000 2.091 678 N HA -0.086 4.654 4.740 0.001 0.000 0.193 678 N C 1.431 176.938 175.510 -0.004 0.000 1.021 678 N CA 1.080 54.151 53.050 0.036 0.000 0.862 678 N CB -0.201 38.256 38.487 -0.049 0.000 1.018 678 N HN 0.427 nan 8.380 nan 0.000 0.429 682 M N 0.645 120.322 119.600 0.129 0.000 2.229 682 M HA -0.046 4.434 4.480 0.001 0.000 0.264 682 M C 1.602 177.940 176.300 0.062 0.000 1.063 682 M CA 1.538 56.871 55.300 0.056 0.000 1.114 682 M CB 0.058 32.699 32.600 0.067 0.000 1.387 682 M HN 0.302 nan 8.290 nan 0.000 0.420 683 L N 0.247 121.509 121.223 0.066 0.000 2.610 683 L HA -0.043 4.298 4.340 0.001 0.000 0.232 683 L C 0.541 177.440 176.870 0.049 0.000 1.149 683 L CA 0.751 55.635 54.840 0.073 0.000 0.872 683 L CB -0.375 41.739 42.059 0.091 0.000 0.992 683 L HN 0.412 nan 8.230 nan 0.000 0.447 684 N N -0.664 118.055 118.700 0.032 0.000 2.194 684 N HA 0.120 4.861 4.740 0.001 0.000 0.231 684 N C 0.886 176.415 175.510 0.032 0.000 1.247 684 N CA 0.847 53.908 53.050 0.018 0.000 0.884 684 N CB 1.461 39.934 38.487 -0.024 0.000 1.146 684 N HN 0.271 nan 8.380 nan 0.000 0.516 685 G N 0.633 109.455 108.800 0.036 0.000 2.134 685 G HA2 -0.168 3.792 3.960 0.001 0.000 0.209 685 G HA3 -0.168 3.792 3.960 0.001 0.000 0.209 685 G C 0.009 174.935 174.900 0.043 0.000 0.993 685 G CA 0.072 45.190 45.100 0.031 0.000 0.669 685 G HN 0.501 nan 8.290 nan 0.000 0.519 686 A N -0.006 122.852 122.820 0.063 0.000 2.312 686 A HA 0.868 5.189 4.320 0.001 0.000 0.328 686 A C 0.337 177.881 177.584 -0.065 0.000 1.158 686 A CA -0.567 51.521 52.037 0.086 0.000 0.821 686 A CB 0.842 19.988 19.000 0.244 0.000 1.170 686 A HN 0.780 nan 8.150 nan 0.000 0.490 687 L N 1.249 122.390 121.223 -0.137 0.000 2.375 687 L HA 0.439 4.779 4.340 0.001 0.000 0.271 687 L C 0.075 176.859 176.870 -0.144 0.000 1.107 687 L CA -0.392 54.319 54.840 -0.214 0.000 0.806 687 L CB 1.437 43.385 42.059 -0.184 0.000 1.146 687 L HN 0.716 nan 8.230 nan 0.000 0.447 688 T N 2.484 116.869 114.554 -0.282 0.000 2.756 688 T HA 0.419 4.769 4.350 0.001 0.000 0.290 688 T C -0.127 174.586 174.700 0.022 0.000 0.985 688 T CA -0.271 61.728 62.100 -0.169 0.000 0.955 688 T CB 1.259 70.034 68.868 -0.156 0.000 0.930 688 T HN 0.384 nan 8.240 nan 0.000 0.451 689 I N 3.601 124.212 120.570 0.068 0.000 2.301 689 I HA 0.576 4.747 4.170 0.001 0.000 0.292 689 I C 0.392 176.674 176.117 0.275 0.000 1.046 689 I CA 0.217 61.631 61.300 0.191 0.000 1.282 689 I CB -0.152 37.847 38.000 -0.003 0.000 1.409 689 I HN 0.804 nan 8.210 nan 0.000 0.484 690 G N 4.139 113.184 108.800 0.409 0.000 2.695 690 G HA2 0.536 4.497 3.960 0.001 0.000 0.290 690 G HA3 0.536 4.497 3.960 0.001 0.000 0.290 690 G C -0.814 174.222 174.900 0.225 0.000 1.410 690 G CA -0.501 44.794 45.100 0.324 0.000 0.844 690 G HN 0.515 nan 8.290 nan 0.000 0.478 691 T N -2.016 112.529 114.554 -0.015 0.000 2.902 691 T HA 0.482 4.833 4.350 0.001 0.000 0.280 691 T C 0.532 175.173 174.700 -0.099 0.000 0.992 691 T CA -0.623 61.341 62.100 -0.227 0.000 1.015 691 T CB 1.435 70.120 68.868 -0.305 0.000 1.044 691 T HN 0.322 nan 8.240 nan 0.000 0.520 692 M N 2.954 122.486 119.600 -0.114 0.000 3.268 692 M HA 0.373 4.854 4.480 0.001 0.000 0.249 692 M C -0.924 175.336 176.300 -0.066 0.000 1.527 692 M CA -0.374 54.882 55.300 -0.074 0.000 1.645 692 M CB -2.113 30.447 32.600 -0.067 0.000 1.193 692 M HN 0.809 nan 8.290 nan 0.000 0.534 693 D N 1.425 121.791 120.400 -0.056 0.000 2.803 693 D HA 0.614 5.254 4.640 0.001 0.000 0.218 693 D C 0.277 176.554 176.300 -0.037 0.000 1.245 693 D CA 0.894 54.866 54.000 -0.047 0.000 0.821 693 D CB 1.098 41.867 40.800 -0.051 0.000 1.626 693 D HN 0.599 nan 8.370 nan 0.000 0.487 694 G N 1.834 110.614 108.800 -0.032 0.000 2.574 694 G HA2 -0.162 3.799 3.960 0.001 0.000 0.286 694 G HA3 -0.162 3.799 3.960 0.001 0.000 0.286 694 G C 1.170 176.056 174.900 -0.022 0.000 1.212 694 G CA 0.878 45.961 45.100 -0.027 0.000 0.979 694 G HN 1.256 nan 8.290 nan 0.000 0.557 695 A N -0.604 122.197 122.820 -0.031 0.000 2.014 695 A HA 0.047 4.368 4.320 0.001 0.000 0.218 695 A C 2.119 179.646 177.584 -0.095 0.000 1.163 695 A CA 2.136 54.141 52.037 -0.054 0.000 0.652 695 A CB -0.546 18.395 19.000 -0.099 0.000 0.808 695 A HN 0.738 nan 8.150 nan 0.000 0.449 696 N N 0.350 119.009 118.700 -0.069 0.000 2.247 696 N HA -0.159 4.582 4.740 0.001 0.000 0.189 696 N C 1.496 176.905 175.510 -0.169 0.000 1.009 696 N CA 1.564 54.573 53.050 -0.069 0.000 0.872 696 N CB -0.490 37.998 38.487 0.002 0.000 0.980 696 N HN 0.335 nan 8.380 nan 0.000 0.436 697 V N 0.636 120.483 119.914 -0.112 0.000 2.255 697 V HA -0.145 3.975 4.120 0.001 0.000 0.243 697 V C 2.019 178.048 176.094 -0.110 0.000 1.038 697 V CA 1.489 63.722 62.300 -0.111 0.000 1.008 697 V CB -0.485 31.303 31.823 -0.057 0.000 0.645 697 V HN 0.268 nan 8.190 nan 0.000 0.449 698 E N -0.488 119.699 120.200 -0.023 0.000 2.204 698 E HA -0.188 4.163 4.350 0.001 0.000 0.194 698 E C 2.201 178.907 176.600 0.177 0.000 0.989 698 E CA 1.236 57.687 56.400 0.084 0.000 0.824 698 E CB -0.152 29.668 29.700 0.200 0.000 0.756 698 E HN 0.540 nan 8.360 nan 0.000 0.477 699 M N -0.056 119.574 119.600 0.050 0.000 2.099 699 M HA -0.114 4.366 4.480 0.001 0.000 0.262 699 M C 2.467 178.550 176.300 -0.361 0.000 1.067 699 M CA 1.388 56.701 55.300 0.023 0.000 1.124 699 M CB -0.129 32.372 32.600 -0.164 0.000 1.353 699 M HN 0.114 nan 8.290 nan 0.000 0.410 700 A N 0.139 122.482 122.820 -0.796 0.000 1.940 700 A HA -0.241 4.080 4.320 0.001 0.000 0.219 700 A C 1.974 179.353 177.584 -0.342 0.000 1.176 700 A CA 2.115 53.592 52.037 -0.933 0.000 0.631 700 A CB -0.843 17.751 19.000 -0.677 0.000 0.814 700 A HN 0.593 nan 8.150 nan 0.000 0.446 701 E N -0.302 119.786 120.200 -0.186 0.000 2.007 701 E HA -0.236 4.115 4.350 0.001 0.000 0.194 701 E C 1.920 178.498 176.600 -0.036 0.000 0.999 701 E CA 1.376 57.728 56.400 -0.080 0.000 0.811 701 E CB -0.182 29.491 29.700 -0.045 0.000 0.762 701 E HN 0.553 nan 8.360 nan 0.000 0.450 702 E N 0.365 120.570 120.200 0.008 0.000 2.049 702 E HA -0.244 4.106 4.350 0.001 0.000 0.198 702 E C 2.031 178.664 176.600 0.056 0.000 1.007 702 E CA 1.365 57.783 56.400 0.030 0.000 0.809 702 E CB -0.532 29.202 29.700 0.057 0.000 0.749 702 E HN 0.424 nan 8.360 nan 0.000 0.450 703 A N 0.630 123.516 122.820 0.110 0.000 1.969 703 A HA 0.161 4.481 4.320 0.001 0.000 0.218 703 A C 1.218 178.860 177.584 0.098 0.000 1.169 703 A CA 1.536 53.672 52.037 0.165 0.000 0.635 703 A CB -0.391 18.850 19.000 0.403 0.000 0.810 703 A HN 0.368 nan 8.150 nan 0.000 0.445 704 G N -1.296 107.530 108.800 0.043 0.000 2.911 704 G HA2 -0.060 3.901 3.960 0.001 0.000 0.686 704 G HA3 -0.060 3.901 3.960 0.001 0.000 0.686 704 G C 0.055 174.972 174.900 0.028 0.000 1.136 704 G CA 0.106 45.217 45.100 0.018 0.000 0.764 704 G HN 0.085 nan 8.290 nan 0.000 0.626 705 E N 0.796 120.990 120.200 -0.011 0.000 2.153 705 E HA -0.136 4.214 4.350 0.001 0.000 0.194 705 E C 2.237 178.843 176.600 0.011 0.000 0.988 705 E CA 1.895 58.286 56.400 -0.015 0.000 0.811 705 E CB 0.160 29.843 29.700 -0.027 0.000 0.746 705 E HN 0.771 nan 8.360 nan 0.000 0.466 706 E N 0.033 120.225 120.200 -0.013 0.000 2.511 706 E HA -0.017 4.333 4.350 0.001 0.000 0.196 706 E C 1.096 177.623 176.600 -0.122 0.000 1.066 706 E CA 0.332 56.695 56.400 -0.061 0.000 0.871 706 E CB -0.161 29.509 29.700 -0.049 0.000 0.863 706 E HN 0.080 nan 8.360 nan 0.000 0.520 707 N N -0.322 118.353 118.700 -0.042 0.000 2.336 707 N HA 0.128 4.869 4.740 0.001 0.000 0.189 707 N C -0.790 174.635 175.510 -0.143 0.000 1.113 707 N CA 0.202 53.200 53.050 -0.086 0.000 0.858 707 N CB 0.290 38.792 38.487 0.025 0.000 0.970 707 N HN 0.136 nan 8.380 nan 0.000 0.471 708 F N -0.888 118.896 119.950 -0.277 0.000 2.538 708 F HA 0.368 4.895 4.527 0.001 0.000 0.325 708 F C 0.099 175.698 175.800 -0.334 0.000 1.066 708 F CA -1.040 56.831 58.000 -0.215 0.000 0.946 708 F CB 1.342 40.303 39.000 -0.065 0.000 1.199 708 F HN -0.219 nan 8.300 nan 0.000 0.473 709 F N 3.531 123.579 119.950 0.162 0.000 2.899 709 F HA 0.280 4.807 4.527 0.001 0.000 0.308 709 F C 0.024 175.984 175.800 0.267 0.000 1.221 709 F CA -0.409 57.681 58.000 0.150 0.000 1.265 709 F CB -0.283 38.746 39.000 0.048 0.000 1.253 709 F HN 0.046 nan 8.300 nan 0.000 0.534 710 I N 3.075 123.862 120.570 0.363 0.000 2.671 710 I HA -0.074 4.097 4.170 0.001 0.000 0.285 710 I C 0.146 176.455 176.117 0.321 0.000 1.148 710 I CA 0.392 61.870 61.300 0.297 0.000 1.386 710 I CB -1.176 36.910 38.000 0.143 0.000 1.406 710 I HN 0.182 nan 8.210 nan 0.000 0.540 711 F N 4.597 124.628 119.950 0.135 0.000 2.679 711 F HA 0.922 5.449 4.527 0.001 0.000 0.341 711 F C 0.489 176.344 175.800 0.092 0.000 1.095 711 F CA -0.438 57.634 58.000 0.119 0.000 1.004 711 F CB 0.767 39.856 39.000 0.148 0.000 1.388 711 F HN 0.696 nan 8.300 nan 0.000 0.505 712 G N 0.800 109.514 108.800 -0.143 0.000 2.642 712 G HA2 -0.128 3.832 3.960 0.001 0.000 0.231 712 G HA3 -0.128 3.832 3.960 0.001 0.000 0.231 712 G C -0.839 173.969 174.900 -0.154 0.000 1.338 712 G CA -0.408 44.523 45.100 -0.283 0.000 0.883 712 G HN 0.941 nan 8.290 nan 0.000 0.570 713 M N 0.059 119.576 119.600 -0.137 0.000 2.233 713 M HA 0.544 5.025 4.480 0.001 0.000 0.350 713 M C 0.871 177.121 176.300 -0.084 0.000 1.176 713 M CA -0.219 55.041 55.300 -0.066 0.000 1.150 713 M CB 0.848 33.429 32.600 -0.031 0.000 1.530 713 M HN 0.520 nan 8.290 nan 0.000 0.459 714 R N 0.924 121.395 120.500 -0.048 0.000 2.580 714 R HA 0.220 4.560 4.340 0.001 0.000 0.267 714 R C 1.142 177.420 176.300 -0.037 0.000 1.125 714 R CA -0.376 55.697 56.100 -0.045 0.000 1.188 714 R CB 0.253 30.535 30.300 -0.029 0.000 1.155 714 R HN 0.630 nan 8.270 nan 0.000 0.586 715 V N 0.768 120.661 119.914 -0.035 0.000 2.720 715 V HA -0.182 3.938 4.120 0.001 0.000 0.256 715 V C 2.046 178.128 176.094 -0.020 0.000 1.082 715 V CA 1.770 64.051 62.300 -0.030 0.000 1.101 715 V CB -0.648 31.156 31.823 -0.032 0.000 0.693 715 V HN 0.702 nan 8.190 nan 0.000 0.479 716 E N 0.680 120.870 120.200 -0.015 0.000 2.107 716 E HA -0.218 4.132 4.350 0.001 0.000 0.191 716 E C 1.666 178.268 176.600 0.003 0.000 0.982 716 E CA 1.452 57.848 56.400 -0.007 0.000 0.809 716 E CB -0.019 29.678 29.700 -0.005 0.000 0.756 716 E HN 0.684 nan 8.360 nan 0.000 0.459 717 D N 0.100 120.503 120.400 0.005 0.000 2.194 717 D HA -0.082 4.559 4.640 0.001 0.000 0.204 717 D C 2.153 178.470 176.300 0.027 0.000 0.964 717 D CA 0.469 54.482 54.000 0.022 0.000 0.846 717 D CB 0.015 40.831 40.800 0.027 0.000 0.962 717 D HN 0.089 nan 8.370 nan 0.000 0.490 718 V N 2.216 122.135 119.914 0.008 0.000 2.261 718 V HA -0.243 3.878 4.120 0.001 0.000 0.246 718 V C 1.977 178.073 176.094 0.003 0.000 1.047 718 V CA 1.915 64.215 62.300 -0.000 0.000 1.015 718 V CB -0.489 31.321 31.823 -0.021 0.000 0.642 718 V HN 0.011 nan 8.190 nan 0.000 0.446 719 D N -0.011 120.388 120.400 -0.003 0.000 2.103 719 D HA -0.182 4.458 4.640 0.001 0.000 0.190 719 D C 2.260 178.568 176.300 0.014 0.000 0.997 719 D CA 1.165 55.165 54.000 -0.001 0.000 0.833 719 D CB -0.451 40.345 40.800 -0.007 0.000 0.961 719 D HN 0.171 nan 8.370 nan 0.000 0.447 720 R N 0.036 120.549 120.500 0.021 0.000 2.377 720 R HA -0.072 4.268 4.340 0.001 0.000 0.207 720 R C 1.475 177.806 176.300 0.052 0.000 1.075 720 R CA 0.182 56.301 56.100 0.032 0.000 1.035 720 R CB -0.193 30.125 30.300 0.031 0.000 0.857 720 R HN 0.203 nan 8.270 nan 0.000 0.475 721 L N -0.497 120.763 121.223 0.062 0.000 2.575 721 L HA 0.118 4.458 4.340 0.001 0.000 0.228 721 L C 1.224 178.152 176.870 0.098 0.000 1.075 721 L CA 1.101 56.002 54.840 0.102 0.000 0.867 721 L CB 0.225 42.366 42.059 0.137 0.000 1.097 721 L HN -0.140 nan 8.230 nan 0.000 0.485 722 D N -0.340 120.094 120.400 0.056 0.000 2.091 722 D HA -0.182 4.458 4.640 0.001 0.000 0.199 722 D C 1.652 177.977 176.300 0.041 0.000 0.980 722 D CA 0.970 54.995 54.000 0.041 0.000 0.831 722 D CB 0.047 40.850 40.800 0.004 0.000 0.987 722 D HN 0.374 nan 8.370 nan 0.000 0.460 723 Q N 0.409 120.228 119.800 0.032 0.000 2.541 723 Q HA -0.126 4.215 4.340 0.001 0.000 0.215 723 Q C 1.513 177.533 176.000 0.034 0.000 0.977 723 Q CA 0.636 56.455 55.803 0.027 0.000 0.934 723 Q CB 0.243 28.993 28.738 0.019 0.000 0.988 723 Q HN 0.193 nan 8.270 nan 0.000 0.521 724 R N -1.923 118.606 120.500 0.048 0.000 2.419 724 R HA 0.240 4.580 4.340 0.001 0.000 0.235 724 R C 0.167 176.504 176.300 0.062 0.000 0.899 724 R CA 0.791 56.921 56.100 0.050 0.000 1.048 724 R CB 0.470 30.801 30.300 0.052 0.000 1.182 724 R HN 0.011 nan 8.270 nan 0.000 0.544 725 G N 0.817 109.666 108.800 0.081 0.000 3.409 725 G HA2 -0.258 3.703 3.960 0.001 0.000 0.686 725 G HA3 -0.258 3.703 3.960 0.001 0.000 0.686 725 G C -1.291 173.699 174.900 0.150 0.000 1.017 725 G CA -0.205 44.955 45.100 0.100 0.000 0.854 725 G HN 0.350 nan 8.290 nan 0.000 0.508 726 Y N 3.307 123.638 120.300 0.052 0.000 2.436 726 Y HA 0.511 5.061 4.550 0.001 0.000 0.343 726 Y C 0.592 176.544 175.900 0.087 0.000 1.008 726 Y CA -0.202 57.947 58.100 0.080 0.000 1.241 726 Y CB 0.768 39.252 38.460 0.040 0.000 1.153 726 Y HN 0.593 nan 8.280 nan 0.000 0.521 727 N N 5.122 123.638 118.700 -0.306 0.000 2.626 727 N HA 0.375 5.115 4.740 0.001 0.000 0.242 727 N C 0.445 175.720 175.510 -0.391 0.000 1.005 727 N CA 0.169 53.054 53.050 -0.276 0.000 0.905 727 N CB 0.928 39.363 38.487 -0.086 0.000 1.128 727 N HN 0.894 nan 8.380 nan 0.000 0.512 728 A N 2.581 125.048 122.820 -0.588 0.000 1.940 728 A HA -0.231 4.090 4.320 0.001 0.000 0.219 728 A C 1.984 179.664 177.584 0.160 0.000 1.176 728 A CA 1.359 53.239 52.037 -0.261 0.000 0.631 728 A CB -0.410 18.448 19.000 -0.238 0.000 0.814 728 A HN 0.743 nan 8.150 nan 0.000 0.446 729 Q N 0.456 120.268 119.800 0.020 0.000 2.297 729 Q HA -0.202 4.138 4.340 0.001 0.000 0.208 729 Q C 1.685 177.768 176.000 0.138 0.000 0.981 729 Q CA 1.939 57.783 55.803 0.070 0.000 0.876 729 Q CB -0.393 28.335 28.738 -0.016 0.000 0.921 729 Q HN 0.906 nan 8.270 nan 0.000 0.446 730 E N -2.252 117.992 120.200 0.073 0.000 2.489 730 E HA -0.118 4.232 4.350 0.001 0.000 0.193 730 E C 0.718 177.247 176.600 -0.120 0.000 1.057 730 E CA 0.386 56.764 56.400 -0.037 0.000 0.866 730 E CB -0.089 29.529 29.700 -0.136 0.000 0.916 730 E HN 0.476 nan 8.360 nan 0.000 0.500 731 Y N -1.163 119.192 120.300 0.092 0.000 2.479 731 Y HA 0.066 4.616 4.550 0.001 0.000 0.283 731 Y C 1.684 177.605 175.900 0.034 0.000 1.109 731 Y CA 0.299 58.454 58.100 0.091 0.000 1.239 731 Y CB -0.001 38.564 38.460 0.174 0.000 1.108 731 Y HN 0.096 nan 8.280 nan 0.000 0.548 732 Y N 1.346 121.703 120.300 0.095 0.000 2.352 732 Y HA -0.217 4.333 4.550 0.001 0.000 0.292 732 Y C 1.538 177.427 175.900 -0.019 0.000 1.136 732 Y CA 1.445 59.529 58.100 -0.026 0.000 1.227 732 Y CB -0.110 38.367 38.460 0.027 0.000 0.991 732 Y HN 0.085 nan 8.280 nan 0.000 0.545 733 D N -0.390 120.090 120.400 0.135 0.000 2.077 733 D HA -0.123 4.518 4.640 0.001 0.000 0.196 733 D C 2.209 178.489 176.300 -0.034 0.000 0.986 733 D CA 1.270 55.295 54.000 0.041 0.000 0.829 733 D CB -0.262 40.561 40.800 0.039 0.000 0.983 733 D HN 0.311 nan 8.370 nan 0.000 0.453 734 R N 0.164 120.643 120.500 -0.034 0.000 2.092 734 R HA 0.015 4.356 4.340 0.001 0.000 0.226 734 R C 0.731 177.009 176.300 -0.037 0.000 1.140 734 R CA 0.515 56.593 56.100 -0.035 0.000 0.910 734 R CB -0.655 29.625 30.300 -0.034 0.000 0.822 734 R HN 0.154 nan 8.270 nan 0.000 0.433 735 I N 2.716 123.277 120.570 -0.014 0.000 2.494 735 I HA -0.019 4.152 4.170 0.001 0.000 0.289 735 I C -1.664 174.392 176.117 -0.100 0.000 1.106 735 I CA -1.220 60.078 61.300 -0.003 0.000 1.369 735 I CB 0.947 39.011 38.000 0.107 0.000 1.410 735 I HN 0.103 nan 8.210 nan 0.000 0.523 736 P HA -0.125 nan 4.420 nan 0.000 0.213 736 P C 1.296 178.513 177.300 -0.137 0.000 1.170 736 P CA 1.093 64.119 63.100 -0.123 0.000 0.889 736 P CB 0.228 31.883 31.700 -0.075 0.000 0.782 737 E N -0.698 119.461 120.200 -0.069 0.000 2.114 737 E HA -0.228 4.122 4.350 0.001 0.000 0.199 737 E C 1.915 178.439 176.600 -0.126 0.000 1.008 737 E CA 0.979 57.344 56.400 -0.058 0.000 0.810 737 E CB -0.828 28.888 29.700 0.028 0.000 0.739 737 E HN 0.023 nan 8.360 nan 0.000 0.456 738 L N 1.292 122.400 121.223 -0.192 0.000 2.013 738 L HA -0.263 4.078 4.340 0.001 0.000 0.212 738 L C 2.110 178.766 176.870 -0.356 0.000 1.073 738 L CA 1.853 56.454 54.840 -0.398 0.000 0.753 738 L CB -0.301 41.413 42.059 -0.574 0.000 0.890 738 L HN 0.008 nan 8.230 nan 0.000 0.432 739 R N -0.962 119.263 120.500 -0.457 0.000 2.112 739 R HA -0.262 4.078 4.340 0.001 0.000 0.242 739 R C 2.372 178.563 176.300 -0.181 0.000 1.137 739 R CA 2.215 57.984 56.100 -0.550 0.000 0.944 739 R CB -0.633 29.286 30.300 -0.635 0.000 0.857 739 R HN 0.591 nan 8.270 nan 0.000 0.435 740 Q N 0.950 120.655 119.800 -0.158 0.000 2.124 740 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 740 Q C 2.170 178.123 176.000 -0.078 0.000 0.977 740 Q CA 1.667 57.411 55.803 -0.099 0.000 0.850 740 Q CB -0.074 28.598 28.738 -0.110 0.000 0.901 740 Q HN 0.548 nan 8.270 nan 0.000 0.429 741 I N -2.415 118.105 120.570 -0.084 0.000 2.830 741 I HA -0.163 4.007 4.170 0.001 0.000 0.263 741 I C 1.554 177.678 176.117 0.011 0.000 1.230 741 I CA 0.523 61.799 61.300 -0.041 0.000 1.480 741 I CB -0.149 37.816 38.000 -0.057 0.000 1.095 741 I HN 0.063 nan 8.210 nan 0.000 0.455 742 I N 1.501 122.089 120.570 0.031 0.000 2.339 742 I HA -0.077 4.093 4.170 0.001 0.000 0.245 742 I C 2.622 178.814 176.117 0.125 0.000 1.096 742 I CA 1.024 62.395 61.300 0.119 0.000 1.408 742 I CB -1.242 36.907 38.000 0.249 0.000 1.092 742 I HN 0.257 nan 8.210 nan 0.000 0.423 743 E N 0.921 121.187 120.200 0.110 0.000 2.147 743 E HA -0.266 4.084 4.350 0.001 0.000 0.199 743 E C 2.090 178.738 176.600 0.081 0.000 1.005 743 E CA 1.397 57.853 56.400 0.094 0.000 0.810 743 E CB -0.214 29.518 29.700 0.053 0.000 0.736 743 E HN 0.617 nan 8.360 nan 0.000 0.460 744 Q N -0.060 119.770 119.800 0.049 0.000 2.123 744 Q HA 0.002 4.343 4.340 0.001 0.000 0.199 744 Q C 2.522 178.645 176.000 0.204 0.000 0.966 744 Q CA 0.606 56.445 55.803 0.061 0.000 0.845 744 Q CB -0.025 28.618 28.738 -0.158 0.000 0.907 744 Q HN 0.256 nan 8.270 nan 0.000 0.439 745 L N 0.117 121.460 121.223 0.201 0.000 2.083 745 L HA -0.194 4.147 4.340 0.001 0.000 0.209 745 L C 2.363 179.371 176.870 0.231 0.000 1.083 745 L CA 0.949 55.913 54.840 0.206 0.000 0.752 745 L CB -0.355 41.757 42.059 0.089 0.000 0.899 745 L HN 0.158 nan 8.230 nan 0.000 0.433 746 S N -0.276 115.532 115.700 0.181 0.000 2.345 746 S HA -0.143 4.327 4.470 0.001 0.000 0.219 746 S C 2.138 176.833 174.600 0.158 0.000 1.031 746 S CA 1.426 59.725 58.200 0.165 0.000 0.984 746 S CB -0.240 63.038 63.200 0.129 0.000 0.874 746 S HN 0.589 nan 8.310 nan 0.000 0.451 747 S N 0.868 116.654 115.700 0.145 0.000 2.474 747 S HA 0.205 4.675 4.470 0.001 0.000 0.235 747 S C 1.352 176.037 174.600 0.142 0.000 0.997 747 S CA 0.830 59.106 58.200 0.126 0.000 0.949 747 S CB -0.448 62.819 63.200 0.112 0.000 0.766 747 S HN 0.988 nan 8.310 nan 0.000 0.517 748 G N 0.498 109.413 108.800 0.192 0.000 2.288 748 G HA2 -0.213 3.747 3.960 0.001 0.000 0.205 748 G HA3 -0.213 3.747 3.960 0.001 0.000 0.205 748 G C -0.048 174.953 174.900 0.168 0.000 1.071 748 G CA 0.053 45.273 45.100 0.200 0.000 0.788 748 G HN 0.418 nan 8.290 nan 0.000 0.491 749 F N 0.494 120.449 119.950 0.008 0.000 2.014 749 F HA 0.182 4.709 4.527 0.001 0.000 0.295 749 F C 2.317 177.989 175.800 -0.214 0.000 1.145 749 F CA 2.222 60.111 58.000 -0.185 0.000 1.178 749 F CB -0.233 38.527 39.000 -0.400 0.000 0.972 749 F HN 0.179 nan 8.300 nan 0.000 0.476 750 F N 0.087 120.126 119.950 0.147 0.000 2.502 750 F HA 0.033 4.560 4.527 0.001 0.000 0.298 750 F C 1.069 176.908 175.800 0.065 0.000 1.111 750 F CA 0.714 58.723 58.000 0.016 0.000 1.445 750 F CB -0.589 38.397 39.000 -0.023 0.000 1.081 750 F HN -0.001 nan 8.300 nan 0.000 0.558 751 S N -0.462 115.419 115.700 0.300 0.000 2.389 751 S HA 0.327 4.798 4.470 0.001 0.000 0.201 751 S C -2.189 172.474 174.600 0.105 0.000 1.422 751 S CA -1.184 57.143 58.200 0.212 0.000 1.216 751 S CB 1.516 64.893 63.200 0.295 0.000 1.130 751 S HN -0.139 nan 8.310 nan 0.000 0.465 752 P HA 0.114 nan 4.420 nan 0.000 0.227 752 P C 0.779 178.084 177.300 0.009 0.000 1.161 752 P CA 0.554 63.652 63.100 -0.004 0.000 0.788 752 P CB 0.199 31.861 31.700 -0.062 0.000 0.822 753 K N -0.564 119.843 120.400 0.011 0.000 2.228 753 K HA -0.009 4.312 4.320 0.001 0.000 0.202 753 K C 0.504 177.118 176.600 0.023 0.000 1.051 753 K CA 1.014 57.308 56.287 0.012 0.000 0.960 753 K CB -0.108 32.398 32.500 0.010 0.000 0.743 753 K HN 0.198 nan 8.250 nan 0.000 0.458 754 Q N -0.689 119.131 119.800 0.033 0.000 2.414 754 Q HA 0.176 4.516 4.340 0.001 0.000 0.256 754 Q C -2.217 173.816 176.000 0.054 0.000 0.974 754 Q CA -1.542 54.280 55.803 0.031 0.000 0.723 754 Q CB 1.959 30.707 28.738 0.016 0.000 1.281 754 Q HN -0.105 nan 8.270 nan 0.000 0.470 755 P HA -0.138 nan 4.420 nan 0.000 0.215 755 P C -0.329 177.051 177.300 0.132 0.000 1.157 755 P CA 1.232 64.393 63.100 0.102 0.000 0.859 755 P CB 0.321 32.068 31.700 0.078 0.000 0.786 756 D N -0.747 119.709 120.400 0.094 0.000 2.561 756 D HA 0.112 4.753 4.640 0.001 0.000 0.232 756 D C 0.913 177.253 176.300 0.066 0.000 1.198 756 D CA -0.257 53.804 54.000 0.102 0.000 0.826 756 D CB -0.850 39.998 40.800 0.080 0.000 0.992 756 D HN 0.036 nan 8.370 nan 0.000 0.490 757 L N -0.489 120.738 121.223 0.007 0.000 2.672 757 L HA 0.300 4.640 4.340 0.001 0.000 0.236 757 L C -0.255 176.349 176.870 -0.443 0.000 1.186 757 L CA 0.491 55.229 54.840 -0.170 0.000 0.977 757 L CB -0.327 41.596 42.059 -0.226 0.000 1.203 757 L HN 0.062 nan 8.230 nan 0.000 0.448 758 F N -2.643 117.358 119.950 0.086 0.000 2.960 758 F HA 0.221 4.749 4.527 0.001 0.000 0.345 758 F C 1.695 177.537 175.800 0.070 0.000 1.147 758 F CA -0.439 57.601 58.000 0.067 0.000 1.099 758 F CB 0.122 39.159 39.000 0.063 0.000 1.219 758 F HN -0.173 nan 8.300 nan 0.000 0.525 759 K N 0.751 121.275 120.400 0.205 0.000 2.211 759 K HA -0.137 4.183 4.320 0.001 0.000 0.204 759 K C 0.941 177.628 176.600 0.145 0.000 1.047 759 K CA 1.302 57.684 56.287 0.158 0.000 0.935 759 K CB -0.170 32.402 32.500 0.121 0.000 0.728 759 K HN 0.258 nan 8.250 nan 0.000 0.452 760 D N 0.796 121.287 120.400 0.152 0.000 2.084 760 D HA -0.109 4.532 4.640 0.001 0.000 0.194 760 D C 2.006 178.385 176.300 0.132 0.000 0.990 760 D CA 0.929 55.024 54.000 0.158 0.000 0.826 760 D CB -0.249 40.661 40.800 0.184 0.000 0.971 760 D HN 0.156 nan 8.370 nan 0.000 0.453 761 I N 0.468 121.123 120.570 0.141 0.000 2.163 761 I HA -0.244 3.926 4.170 0.001 0.000 0.243 761 I C 2.373 178.522 176.117 0.054 0.000 1.085 761 I CA 0.663 62.022 61.300 0.099 0.000 1.347 761 I CB -0.459 37.628 38.000 0.145 0.000 1.044 761 I HN -0.086 nan 8.210 nan 0.000 0.408 762 V N 1.279 121.249 119.914 0.093 0.000 2.214 762 V HA -0.363 3.758 4.120 0.001 0.000 0.247 762 V C 2.128 178.228 176.094 0.010 0.000 1.051 762 V CA 2.692 65.034 62.300 0.069 0.000 1.003 762 V CB -1.097 30.790 31.823 0.107 0.000 0.635 762 V HN 0.428 nan 8.190 nan 0.000 0.447 763 N N -0.554 118.179 118.700 0.056 0.000 2.096 763 N HA -0.267 4.473 4.740 0.001 0.000 0.195 763 N C 1.829 177.253 175.510 -0.143 0.000 1.017 763 N CA 2.165 55.265 53.050 0.084 0.000 0.870 763 N CB -0.255 38.321 38.487 0.149 0.000 1.024 763 N HN 0.424 nan 8.380 nan 0.000 0.434 764 M N -0.036 119.410 119.600 -0.255 0.000 2.099 764 M HA -0.096 4.384 4.480 0.001 0.000 0.262 764 M C 1.487 177.541 176.300 -0.410 0.000 1.067 764 M CA 1.358 56.306 55.300 -0.586 0.000 1.124 764 M CB -0.516 31.974 32.600 -0.183 0.000 1.353 764 M HN 0.166 nan 8.290 nan 0.000 0.410 765 L N 0.795 121.852 121.223 -0.277 0.000 2.127 765 L HA -0.219 4.121 4.340 0.001 0.000 0.211 765 L C 2.382 178.907 176.870 -0.576 0.000 1.089 765 L CA 1.580 56.173 54.840 -0.412 0.000 0.757 765 L CB -1.111 40.761 42.059 -0.311 0.000 0.899 765 L HN 0.420 nan 8.230 nan 0.000 0.434 766 M N -2.381 116.965 119.600 -0.423 0.000 2.325 766 M HA -0.039 4.441 4.480 0.001 0.000 0.265 766 M C 1.888 177.871 176.300 -0.528 0.000 1.094 766 M CA 1.190 56.181 55.300 -0.516 0.000 1.161 766 M CB -0.556 31.623 32.600 -0.702 0.000 1.358 766 M HN 0.297 nan 8.290 nan 0.000 0.446 767 H N -1.370 117.604 119.070 -0.160 0.000 2.800 767 H HA 0.156 4.713 4.556 0.001 0.000 0.257 767 H C 0.216 175.564 175.328 0.034 0.000 0.967 767 H CA 0.877 56.894 56.048 -0.053 0.000 1.192 767 H CB 0.346 30.112 29.762 0.006 0.000 1.441 767 H HN 0.582 nan 8.280 nan 0.000 0.461 768 H N -1.321 117.819 119.070 0.117 0.000 2.901 768 H HA 0.225 4.781 4.556 0.001 0.000 0.227 768 H C -1.008 174.332 175.328 0.020 0.000 1.390 768 H CA -0.638 55.452 56.048 0.069 0.000 1.120 768 H CB -0.143 29.656 29.762 0.062 0.000 2.131 768 H HN -0.117 nan 8.280 nan 0.000 0.549 769 D N 1.381 121.756 120.400 -0.042 0.000 2.374 769 D HA 0.051 4.692 4.640 0.001 0.000 0.240 769 D C 1.038 177.236 176.300 -0.171 0.000 1.229 769 D CA -0.252 53.693 54.000 -0.091 0.000 0.895 769 D CB 0.734 41.433 40.800 -0.168 0.000 1.046 769 D HN 0.523 nan 8.370 nan 0.000 0.498 770 R N 2.470 122.853 120.500 -0.195 0.000 2.280 770 R HA 0.011 4.351 4.340 0.001 0.000 0.207 770 R C 0.473 176.281 176.300 -0.820 0.000 1.043 770 R CA 0.831 56.619 56.100 -0.520 0.000 1.006 770 R CB 0.112 30.012 30.300 -0.667 0.000 0.885 770 R HN 0.373 nan 8.270 nan 0.000 0.467 771 F N -0.408 119.446 119.950 -0.161 0.000 2.772 771 F HA 0.316 4.844 4.527 0.001 0.000 0.316 771 F C -0.180 175.467 175.800 -0.254 0.000 1.114 771 F CA -0.579 57.334 58.000 -0.146 0.000 1.191 771 F CB 0.646 39.642 39.000 -0.006 0.000 1.065 771 F HN -0.233 nan 8.300 nan 0.000 0.534 772 K N -0.242 119.920 120.400 -0.397 0.000 3.239 772 K HA -0.144 4.177 4.320 0.001 0.000 0.270 772 K C 0.756 177.238 176.600 -0.196 0.000 1.049 772 K CA 0.151 56.066 56.287 -0.620 0.000 0.769 772 K CB -1.810 30.368 32.500 -0.537 0.000 1.305 772 K HN 0.181 nan 8.250 nan 0.000 0.469 773 V N 0.012 119.863 119.914 -0.106 0.000 2.270 773 V HA -0.240 3.881 4.120 0.001 0.000 0.245 773 V C 2.011 178.250 176.094 0.242 0.000 1.043 773 V CA 1.966 64.298 62.300 0.052 0.000 1.014 773 V CB -0.435 31.410 31.823 0.036 0.000 0.645 773 V HN 0.401 nan 8.190 nan 0.000 0.447 774 F N 1.044 121.003 119.950 0.015 0.000 2.126 774 F HA -0.146 4.381 4.527 0.000 0.000 0.299 774 F C 2.554 178.186 175.800 -0.280 0.000 1.096 774 F CA 0.955 58.921 58.000 -0.057 0.000 1.255 774 F CB -1.696 37.266 39.000 -0.063 0.000 0.997 774 F HN 0.141 nan 8.300 nan 0.000 0.479 775 A N -0.044 122.610 122.820 -0.277 0.000 1.903 775 A HA -0.248 4.072 4.320 0.001 0.000 0.219 775 A C 1.973 179.567 177.584 0.017 0.000 1.191 775 A CA 2.359 54.149 52.037 -0.412 0.000 0.638 775 A CB -0.901 18.065 19.000 -0.057 0.000 0.823 775 A HN 0.292 nan 8.150 nan 0.000 0.451 776 D N -2.803 117.660 120.400 0.105 0.000 2.349 776 D HA 0.024 4.664 4.640 0.001 0.000 0.215 776 D C 1.359 177.862 176.300 0.338 0.000 1.016 776 D CA 0.380 54.504 54.000 0.205 0.000 0.870 776 D CB -0.117 40.764 40.800 0.135 0.000 0.917 776 D HN 0.632 nan 8.370 nan 0.000 0.524 777 Y N 1.935 122.352 120.300 0.195 0.000 2.163 777 Y HA -0.222 4.328 4.550 0.001 0.000 0.288 777 Y C 2.217 178.248 175.900 0.219 0.000 1.136 777 Y CA 2.033 60.266 58.100 0.222 0.000 1.147 777 Y CB -0.066 38.487 38.460 0.154 0.000 0.987 777 Y HN -0.130 nan 8.280 nan 0.000 0.509 778 E N 0.608 120.909 120.200 0.169 0.000 2.082 778 E HA -0.368 3.982 4.350 0.001 0.000 0.215 778 E C 2.053 178.660 176.600 0.012 0.000 1.048 778 E CA 2.451 58.898 56.400 0.078 0.000 0.869 778 E CB -0.454 29.377 29.700 0.219 0.000 0.773 778 E HN 0.574 nan 8.360 nan 0.000 0.466 779 E N -1.547 118.743 120.200 0.151 0.000 2.208 779 E HA -0.127 4.224 4.350 0.001 0.000 0.193 779 E C 1.630 178.290 176.600 0.099 0.000 0.988 779 E CA 0.893 57.414 56.400 0.203 0.000 0.828 779 E CB -0.315 29.633 29.700 0.414 0.000 0.763 779 E HN 0.440 nan 8.360 nan 0.000 0.478 780 Y N 0.356 120.581 120.300 -0.125 0.000 2.092 780 Y HA -0.201 4.349 4.550 0.001 0.000 0.282 780 Y C 2.148 177.791 175.900 -0.428 0.000 1.126 780 Y CA 1.692 59.519 58.100 -0.455 0.000 1.111 780 Y CB -0.775 37.541 38.460 -0.240 0.000 0.987 780 Y HN 0.034 nan 8.280 nan 0.000 0.489 781 V N -1.114 118.563 119.914 -0.395 0.000 2.568 781 V HA -0.248 3.872 4.120 0.001 0.000 0.253 781 V C 2.048 177.983 176.094 -0.265 0.000 1.072 781 V CA 2.185 64.279 62.300 -0.343 0.000 1.084 781 V CB -0.817 30.812 31.823 -0.324 0.000 0.676 781 V HN 0.287 nan 8.190 nan 0.000 0.469 782 K N -0.958 119.312 120.400 -0.216 0.000 2.288 782 K HA -0.001 4.319 4.320 0.001 0.000 0.201 782 K C 2.038 178.564 176.600 -0.122 0.000 1.048 782 K CA 1.368 57.582 56.287 -0.121 0.000 0.956 782 K CB -0.221 32.250 32.500 -0.048 0.000 0.746 782 K HN 0.608 nan 8.250 nan 0.000 0.461 783 C N 0.899 120.067 119.300 -0.220 0.000 2.590 783 C HA 0.093 4.553 4.460 0.001 0.000 0.272 783 C C 1.905 176.670 174.990 -0.374 0.000 1.338 783 C CA 0.050 58.938 59.018 -0.217 0.000 1.746 783 C CB -0.190 27.402 27.740 -0.245 0.000 2.020 783 C HN 0.378 nan 8.230 nan 0.000 0.531 784 Q N 0.599 120.098 119.800 -0.501 0.000 2.466 784 Q HA 0.010 4.350 4.340 0.001 0.000 0.210 784 Q C 1.240 177.086 176.000 -0.257 0.000 0.961 784 Q CA 0.833 56.332 55.803 -0.508 0.000 0.953 784 Q CB 0.053 28.355 28.738 -0.727 0.000 1.011 784 Q HN 0.747 nan 8.270 nan 0.000 0.516 785 E N -0.298 119.791 120.200 -0.184 0.000 2.306 785 E HA 0.098 4.449 4.350 0.001 0.000 0.201 785 E C 1.587 178.164 176.600 -0.038 0.000 0.874 785 E CA -0.180 56.169 56.400 -0.085 0.000 0.972 785 E CB 0.381 30.046 29.700 -0.057 0.000 0.957 785 E HN 0.120 nan 8.360 nan 0.000 0.492 786 R N 0.567 121.054 120.500 -0.021 0.000 2.241 786 R HA -0.054 4.287 4.340 0.001 0.000 0.224 786 R C 2.123 178.482 176.300 0.098 0.000 1.101 786 R CA 0.580 56.734 56.100 0.091 0.000 0.995 786 R CB -0.010 30.400 30.300 0.183 0.000 0.870 786 R HN 0.066 nan 8.270 nan 0.000 0.463 787 V N -0.711 119.099 119.914 -0.173 0.000 2.685 787 V HA -0.082 4.038 4.120 0.001 0.000 0.244 787 V C 1.919 177.995 176.094 -0.030 0.000 1.054 787 V CA 1.484 63.604 62.300 -0.300 0.000 1.076 787 V CB 0.499 31.887 31.823 -0.724 0.000 0.725 787 V HN 0.174 nan 8.190 nan 0.000 0.467 788 S N -0.082 115.584 115.700 -0.057 0.000 2.387 788 S HA -0.020 4.450 4.470 0.001 0.000 0.226 788 S C 2.111 176.767 174.600 0.093 0.000 1.026 788 S CA 1.296 59.500 58.200 0.006 0.000 0.972 788 S CB -0.251 62.935 63.200 -0.023 0.000 0.814 788 S HN 0.732 nan 8.310 nan 0.000 0.477 789 A N 0.834 123.705 122.820 0.086 0.000 1.933 789 A HA -0.013 4.307 4.320 0.001 0.000 0.218 789 A C 2.074 179.741 177.584 0.138 0.000 1.175 789 A CA 1.174 53.273 52.037 0.102 0.000 0.628 789 A CB -0.582 18.468 19.000 0.083 0.000 0.814 789 A HN 0.488 nan 8.150 nan 0.000 0.444 790 L N -2.453 118.892 121.223 0.205 0.000 2.240 790 L HA -0.051 4.290 4.340 0.001 0.000 0.211 790 L C 2.313 179.399 176.870 0.361 0.000 1.106 790 L CA 0.945 55.972 54.840 0.311 0.000 0.793 790 L CB -0.223 42.106 42.059 0.450 0.000 0.927 790 L HN 0.527 nan 8.230 nan 0.000 0.446 791 Y N 0.376 120.711 120.300 0.059 0.000 2.352 791 Y HA -0.213 4.338 4.550 0.001 0.000 0.292 791 Y C 2.142 177.965 175.900 -0.129 0.000 1.136 791 Y CA 1.300 59.227 58.100 -0.289 0.000 1.227 791 Y CB 0.018 38.201 38.460 -0.461 0.000 0.991 791 Y HN 0.006 nan 8.280 nan 0.000 0.545 792 K N 0.603 121.020 120.400 0.028 0.000 2.632 792 K HA -0.053 4.267 4.320 0.001 0.000 0.196 792 K C -0.203 176.362 176.600 -0.059 0.000 1.023 792 K CA 0.244 56.520 56.287 -0.017 0.000 1.098 792 K CB -0.326 32.194 32.500 0.032 0.000 0.862 792 K HN 0.058 nan 8.250 nan 0.000 0.504 793 N N -0.069 118.599 118.700 -0.054 0.000 2.707 793 N HA 0.143 4.883 4.740 0.001 0.000 0.249 793 N C -2.564 172.949 175.510 0.005 0.000 1.299 793 N CA -1.683 51.362 53.050 -0.008 0.000 0.769 793 N CB 1.411 39.933 38.487 0.058 0.000 1.236 793 N HN -0.166 nan 8.380 nan 0.000 0.524 794 P HA -0.231 nan 4.420 nan 0.000 0.215 794 P C 1.577 178.909 177.300 0.054 0.000 1.163 794 P CA 1.610 64.664 63.100 -0.076 0.000 0.894 794 P CB 0.258 31.898 31.700 -0.101 0.000 0.791 795 R N 0.241 120.767 120.500 0.043 0.000 2.080 795 R HA -0.166 4.174 4.340 0.001 0.000 0.236 795 R C 1.765 178.122 176.300 0.095 0.000 1.137 795 R CA 1.757 57.895 56.100 0.064 0.000 0.943 795 R CB -1.864 28.462 30.300 0.042 0.000 0.846 795 R HN 0.176 nan 8.270 nan 0.000 0.431 796 E N 0.021 120.282 120.200 0.102 0.000 2.150 796 E HA -0.151 4.200 4.350 0.001 0.000 0.193 796 E C 1.621 178.315 176.600 0.155 0.000 0.985 796 E CA 0.769 57.233 56.400 0.107 0.000 0.814 796 E CB -0.303 29.456 29.700 0.098 0.000 0.752 796 E HN 0.491 nan 8.360 nan 0.000 0.466 797 W N 1.264 122.581 121.300 0.028 0.000 2.519 797 W HA -0.082 4.578 4.660 0.001 0.000 0.266 797 W C 1.851 178.408 176.519 0.063 0.000 1.253 797 W CA 1.553 58.939 57.345 0.069 0.000 1.274 797 W CB 0.232 29.726 29.460 0.056 0.000 1.114 797 W HN -0.080 nan 8.180 nan 0.000 0.596 798 T N -0.073 114.612 114.554 0.219 0.000 3.009 798 T HA -0.025 4.325 4.350 0.001 0.000 0.258 798 T C 1.725 176.446 174.700 0.035 0.000 1.063 798 T CA 0.731 62.906 62.100 0.125 0.000 1.139 798 T CB -0.091 68.870 68.868 0.154 0.000 0.890 798 T HN 0.107 nan 8.240 nan 0.000 0.471 799 R N 0.970 121.492 120.500 0.036 0.000 2.081 799 R HA 0.083 4.423 4.340 0.001 0.000 0.235 799 R C 2.398 178.680 176.300 -0.029 0.000 1.131 799 R CA 1.175 57.288 56.100 0.021 0.000 0.960 799 R CB -0.426 29.888 30.300 0.024 0.000 0.856 799 R HN 0.344 nan 8.270 nan 0.000 0.436 800 M N 0.781 120.326 119.600 -0.091 0.000 2.374 800 M HA -0.085 4.395 4.480 0.001 0.000 0.264 800 M C 1.784 177.969 176.300 -0.191 0.000 1.067 800 M CA 1.037 56.245 55.300 -0.153 0.000 1.103 800 M CB 0.285 32.754 32.600 -0.218 0.000 1.402 800 M HN -0.068 nan 8.290 nan 0.000 0.444 801 V N 0.652 120.440 119.914 -0.209 0.000 2.427 801 V HA -0.256 3.864 4.120 0.001 0.000 0.248 801 V C 2.061 178.123 176.094 -0.054 0.000 1.051 801 V CA 1.693 63.881 62.300 -0.186 0.000 1.048 801 V CB -0.498 31.219 31.823 -0.177 0.000 0.666 801 V HN 0.503 nan 8.190 nan 0.000 0.456 802 I N -0.479 120.096 120.570 0.009 0.000 2.286 802 I HA -0.185 3.985 4.170 0.001 0.000 0.245 802 I C 2.633 178.785 176.117 0.060 0.000 1.104 802 I CA 1.460 62.812 61.300 0.088 0.000 1.397 802 I CB -0.477 37.614 38.000 0.153 0.000 1.072 802 I HN 0.149 nan 8.210 nan 0.000 0.417 803 R N 0.671 121.185 120.500 0.023 0.000 2.115 803 R HA -0.085 4.256 4.340 0.001 0.000 0.230 803 R C 2.164 178.494 176.300 0.049 0.000 1.111 803 R CA 0.945 57.060 56.100 0.026 0.000 0.976 803 R CB -0.446 29.860 30.300 0.009 0.000 0.870 803 R HN 0.418 nan 8.270 nan 0.000 0.445 804 N N 1.173 119.889 118.700 0.027 0.000 2.007 804 N HA -0.193 4.548 4.740 0.001 0.000 0.197 804 N C 1.909 177.472 175.510 0.088 0.000 1.050 804 N CA 1.661 54.741 53.050 0.051 0.000 0.856 804 N CB -0.221 38.226 38.487 -0.067 0.000 1.050 804 N HN 0.155 nan 8.380 nan 0.000 0.423 805 I N 1.396 122.003 120.570 0.061 0.000 2.163 805 I HA -0.234 3.936 4.170 0.001 0.000 0.243 805 I C 2.010 178.176 176.117 0.081 0.000 1.085 805 I CA 1.115 62.461 61.300 0.076 0.000 1.347 805 I CB -0.374 37.667 38.000 0.068 0.000 1.044 805 I HN 0.072 nan 8.210 nan 0.000 0.408 806 A N -1.055 121.809 122.820 0.072 0.000 2.264 806 A HA -0.094 4.227 4.320 0.001 0.000 0.207 806 A C 1.820 179.429 177.584 0.042 0.000 1.196 806 A CA 1.692 53.759 52.037 0.049 0.000 0.778 806 A CB -0.542 18.481 19.000 0.039 0.000 0.779 806 A HN 0.436 nan 8.150 nan 0.000 0.483 807 T N -2.399 112.198 114.554 0.072 0.000 3.326 807 T HA 0.101 4.451 4.350 0.001 0.000 0.302 807 T C 1.142 175.899 174.700 0.095 0.000 0.908 807 T CA 0.625 62.763 62.100 0.063 0.000 0.933 807 T CB -0.322 68.589 68.868 0.071 0.000 1.194 807 T HN 0.328 nan 8.240 nan 0.000 0.585 808 S N 0.402 116.204 115.700 0.170 0.000 2.547 808 S HA 0.033 4.504 4.470 0.001 0.000 0.235 808 S C 2.252 176.920 174.600 0.114 0.000 0.980 808 S CA 0.821 59.210 58.200 0.314 0.000 0.941 808 S CB -0.394 62.984 63.200 0.296 0.000 0.763 808 S HN 0.641 nan 8.310 nan 0.000 0.532 809 G N 2.332 111.136 108.800 0.007 0.000 2.517 809 G HA2 -0.282 3.679 3.960 0.001 0.000 0.222 809 G HA3 -0.282 3.679 3.960 0.001 0.000 0.222 809 G C 1.481 176.306 174.900 -0.125 0.000 1.109 809 G CA 0.761 45.845 45.100 -0.027 0.000 0.746 809 G HN 0.324 nan 8.290 nan 0.000 0.576 810 K N 0.197 120.385 120.400 -0.353 0.000 2.148 810 K HA -0.015 4.306 4.320 0.001 0.000 0.204 810 K C 1.232 177.573 176.600 -0.431 0.000 1.050 810 K CA 0.528 56.508 56.287 -0.512 0.000 0.942 810 K CB -0.310 31.677 32.500 -0.856 0.000 0.724 810 K HN 0.400 nan 8.250 nan 0.000 0.446 811 F N 0.906 120.893 119.950 0.062 0.000 2.701 811 F HA 0.188 4.715 4.527 0.001 0.000 0.295 811 F C 0.862 176.717 175.800 0.091 0.000 1.165 811 F CA -0.363 57.683 58.000 0.076 0.000 1.399 811 F CB -0.304 38.741 39.000 0.074 0.000 0.996 811 F HN -0.247 nan 8.300 nan 0.000 0.513 812 S N 0.196 115.990 115.700 0.157 0.000 2.545 812 S HA 0.162 4.632 4.470 0.001 0.000 0.275 812 S C 1.443 176.127 174.600 0.140 0.000 1.299 812 S CA -0.115 58.170 58.200 0.143 0.000 1.048 812 S CB 0.777 64.030 63.200 0.089 0.000 0.938 812 S HN 0.379 nan 8.310 nan 0.000 0.496 813 S N 3.367 119.167 115.700 0.166 0.000 2.474 813 S HA -0.077 4.394 4.470 0.001 0.000 0.235 813 S C 0.962 175.582 174.600 0.034 0.000 0.997 813 S CA 0.709 59.001 58.200 0.155 0.000 0.949 813 S CB -0.361 63.000 63.200 0.268 0.000 0.766 813 S HN 0.781 nan 8.310 nan 0.000 0.517 814 D N 2.117 122.543 120.400 0.044 0.000 2.084 814 D HA -0.106 4.535 4.640 0.001 0.000 0.194 814 D C 2.120 178.420 176.300 0.000 0.000 0.990 814 D CA 0.968 54.977 54.000 0.015 0.000 0.826 814 D CB -0.403 40.412 40.800 0.024 0.000 0.971 814 D HN 0.277 nan 8.370 nan 0.000 0.453 815 R N 0.752 121.260 120.500 0.012 0.000 2.081 815 R HA -0.100 4.241 4.340 0.001 0.000 0.235 815 R C 1.940 178.236 176.300 -0.008 0.000 1.131 815 R CA 1.476 57.574 56.100 -0.003 0.000 0.960 815 R CB -0.790 29.503 30.300 -0.012 0.000 0.856 815 R HN 0.173 nan 8.270 nan 0.000 0.436 816 T N 2.005 116.571 114.554 0.019 0.000 2.684 816 T HA -0.123 4.227 4.350 0.001 0.000 0.267 816 T C 1.939 176.642 174.700 0.005 0.000 1.036 816 T CA 1.300 63.428 62.100 0.047 0.000 1.148 816 T CB -0.123 68.822 68.868 0.129 0.000 0.863 816 T HN 0.080 nan 8.240 nan 0.000 0.436 817 I N 1.787 122.269 120.570 -0.146 0.000 2.202 817 I HA -0.078 4.092 4.170 0.001 0.000 0.242 817 I C 2.951 179.019 176.117 -0.082 0.000 1.091 817 I CA 0.944 62.124 61.300 -0.200 0.000 1.368 817 I CB -1.699 36.181 38.000 -0.201 0.000 1.058 817 I HN 0.196 nan 8.210 nan 0.000 0.410 818 A N 0.089 122.883 122.820 -0.043 0.000 1.917 818 A HA -0.268 4.052 4.320 0.001 0.000 0.219 818 A C 2.262 179.805 177.584 -0.068 0.000 1.182 818 A CA 1.685 53.705 52.037 -0.028 0.000 0.633 818 A CB -0.670 18.321 19.000 -0.015 0.000 0.819 818 A HN 0.521 nan 8.150 nan 0.000 0.448 819 Q N -1.730 118.015 119.800 -0.091 0.000 2.020 819 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 819 Q C 1.996 177.830 176.000 -0.277 0.000 0.982 819 Q CA 1.929 57.639 55.803 -0.156 0.000 0.838 819 Q CB -0.360 28.283 28.738 -0.159 0.000 0.899 819 Q HN 0.827 nan 8.270 nan 0.000 0.423 820 Y N 0.248 120.254 120.300 -0.490 0.000 2.207 820 Y HA -0.283 4.267 4.550 0.001 0.000 0.287 820 Y C 2.372 177.670 175.900 -1.004 0.000 1.156 820 Y CA 1.211 58.760 58.100 -0.917 0.000 1.182 820 Y CB -0.515 37.110 38.460 -1.393 0.000 0.979 820 Y HN 0.179 nan 8.280 nan 0.000 0.521 821 A N 0.303 122.884 122.820 -0.399 0.000 1.855 821 A HA -0.182 4.139 4.320 0.001 0.000 0.215 821 A C 2.263 179.845 177.584 -0.003 0.000 1.191 821 A CA 1.733 53.761 52.037 -0.014 0.000 0.613 821 A CB -0.514 18.561 19.000 0.125 0.000 0.829 821 A HN 0.410 nan 8.150 nan 0.000 0.442 822 R N -0.685 119.783 120.500 -0.054 0.000 2.090 822 R HA -0.047 4.294 4.340 0.001 0.000 0.228 822 R C 1.767 178.042 176.300 -0.043 0.000 1.110 822 R CA 1.563 57.646 56.100 -0.029 0.000 0.973 822 R CB -0.159 30.120 30.300 -0.035 0.000 0.869 822 R HN 0.623 nan 8.270 nan 0.000 0.440 823 E N -0.676 119.459 120.200 -0.108 0.000 2.389 823 E HA 0.140 4.490 4.350 0.001 0.000 0.199 823 E C 1.410 177.966 176.600 -0.073 0.000 0.978 823 E CA 0.289 56.632 56.400 -0.096 0.000 0.912 823 E CB 0.616 30.233 29.700 -0.137 0.000 0.907 823 E HN 0.232 nan 8.360 nan 0.000 0.494 824 I N -1.298 119.193 120.570 -0.132 0.000 3.873 824 I HA 0.025 4.196 4.170 0.001 0.000 0.284 824 I C 1.219 177.479 176.117 0.239 0.000 1.186 824 I CA -0.066 61.222 61.300 -0.019 0.000 1.362 824 I CB 0.231 38.083 38.000 -0.247 0.000 1.432 824 I HN 0.124 nan 8.210 nan 0.000 0.454 825 W N 1.433 122.819 121.300 0.143 0.000 2.523 825 W HA 0.299 4.959 4.660 0.001 0.000 0.278 825 W C 1.610 178.165 176.519 0.058 0.000 1.236 825 W CA 0.948 58.361 57.345 0.113 0.000 1.306 825 W CB -1.135 28.382 29.460 0.095 0.000 1.101 825 W HN 0.322 nan 8.180 nan 0.000 0.577 826 G N 0.731 109.670 108.800 0.231 0.000 2.182 826 G HA2 -0.132 3.828 3.960 0.001 0.000 0.248 826 G HA3 -0.132 3.828 3.960 0.001 0.000 0.248 826 G C -0.373 174.596 174.900 0.115 0.000 1.042 826 G CA 0.171 45.348 45.100 0.129 0.000 0.775 826 G HN 0.262 nan 8.290 nan 0.000 0.501 827 V N -3.352 116.651 119.914 0.149 0.000 2.789 827 V HA 0.821 4.942 4.120 0.001 0.000 0.311 827 V C -0.103 176.050 176.094 0.099 0.000 1.073 827 V CA -1.851 60.515 62.300 0.110 0.000 0.921 827 V CB 2.152 34.038 31.823 0.105 0.000 1.009 827 V HN 0.155 nan 8.190 nan 0.000 0.426 828 E N 3.235 123.475 120.200 0.066 0.000 2.301 828 E HA 0.476 4.826 4.350 0.001 0.000 0.275 828 E C -2.379 174.259 176.600 0.063 0.000 1.030 828 E CA -1.562 54.871 56.400 0.056 0.000 0.852 828 E CB 1.631 31.355 29.700 0.040 0.000 1.060 828 E HN 0.604 nan 8.360 nan 0.000 0.401 829 P HA 0.144 nan 4.420 nan 0.000 0.274 829 P C -0.739 176.591 177.300 0.050 0.000 1.260 829 P CA -0.392 62.743 63.100 0.058 0.000 0.793 829 P CB 0.627 32.355 31.700 0.047 0.000 1.048 830 S N -0.989 114.742 115.700 0.051 0.000 2.584 830 S HA 0.279 4.750 4.470 0.001 0.000 0.280 830 S C -0.104 174.521 174.600 0.042 0.000 1.162 830 S CA -0.632 57.596 58.200 0.047 0.000 0.951 830 S CB 0.546 63.780 63.200 0.058 0.000 1.108 830 S HN 0.290 nan 8.310 nan 0.000 0.464 831 R N 1.913 122.433 120.500 0.033 0.000 2.356 831 R HA 0.164 4.505 4.340 0.001 0.000 0.234 831 R C 0.464 176.774 176.300 0.017 0.000 0.929 831 R CA -0.093 56.025 56.100 0.029 0.000 1.084 831 R CB 0.181 30.499 30.300 0.030 0.000 1.105 831 R HN 0.603 nan 8.270 nan 0.000 0.515 832 Q N 1.891 121.700 119.800 0.016 0.000 2.257 832 Q HA -0.008 4.332 4.340 0.001 0.000 0.273 832 Q C -0.587 175.399 176.000 -0.023 0.000 1.153 832 Q CA -0.002 55.802 55.803 0.000 0.000 0.922 832 Q CB 0.362 29.106 28.738 0.010 0.000 1.242 832 Q HN -0.053 nan 8.270 nan 0.000 0.409 833 R N 2.339 122.819 120.500 -0.033 0.000 2.697 833 R HA 0.049 4.390 4.340 0.001 0.000 0.265 833 R C -0.679 175.568 176.300 -0.088 0.000 1.009 833 R CA 0.186 56.252 56.100 -0.057 0.000 1.099 833 R CB 0.232 30.499 30.300 -0.055 0.000 0.965 833 R HN 0.508 nan 8.270 nan 0.000 0.428 834 L N 4.968 126.119 121.223 -0.119 0.000 2.360 834 L HA 0.488 4.829 4.340 0.001 0.000 0.271 834 L C -1.712 175.078 176.870 -0.134 0.000 1.057 834 L CA -1.873 52.860 54.840 -0.178 0.000 0.803 834 L CB 1.018 42.928 42.059 -0.249 0.000 1.207 834 L HN 0.628 nan 8.230 nan 0.000 0.445 835 P HA 0.330 nan 4.420 nan 0.000 0.282 835 P C -0.264 176.991 177.300 -0.075 0.000 1.286 835 P CA 0.197 63.243 63.100 -0.089 0.000 0.777 835 P CB 0.353 32.005 31.700 -0.081 0.000 1.184 836 A N -1.387 121.403 122.820 -0.050 0.000 6.088 836 A HA -0.121 4.199 4.320 0.001 0.000 0.261 836 A C -1.910 175.659 177.584 -0.024 0.000 2.138 836 A CA 0.416 52.433 52.037 -0.033 0.000 0.708 836 A CB -3.400 15.579 19.000 -0.035 0.000 1.068 836 A HN 0.709 nan 8.150 nan 0.000 0.364 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.102 63.100 0.004 0.000 0.800 837 P CB 0.000 31.716 31.700 0.026 0.000 0.726