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 2v50_1_A DATA FIRST_RESID 4 DATA SEQUENCE FFIDRPIFAW VIALVIMLAG GLSILSLPVN QYPAIAPPAI AVQVSYPGAS DATA SEQUENCE AETVQDTVVQ VIEQQMNGID NLRYISSESN SDGSMTITVT FEQGTDPDIA DATA SEQUENCE QVQVQNKLQL ATPLLPQEVQ RQGIRVTKAV KNFLMVVGVV STDGSMTKED DATA SEQUENCE LSNYIVSNIQ DPLSRTKGVG DFQVFGSQYS MRIWLDPAKL NSYQLTPGDV DATA SEQUENCE SSAIQAQNVQ ISSGQLGGLP AVKGQQLNAT IIGKTRLQTA EQFENILLKV DATA SEQUENCE NPDGSQVRLK DVADVGLGGQ DYSINAQFNG SPASGIAIKL ATGANALDTA DATA SEQUENCE KAIRQTIANL EPFMPQGMKV VYPYDTTPVV SASIHEVVKT LGEAILLVFL DATA SEQUENCE VMYLFLQNFR ATLIPTIAVP VVLLGTFGVL AAFGFSINTL TMFGMVLAIG DATA SEQUENCE LLVDDAIVVV ENVERVMAEE GLSPREAARK SMGQIQGALV GIAMVLSAVF DATA SEQUENCE LPMAFFGGST GVIYRQFSIT IVSAMALSVI VALILTPALC ATMLKPXXXX DATA SEQUENCE XXXXXXXXFF GWFNRMFLST THGYERGVAS ILKHRAPYLL IYVVIVAGMI DATA SEQUENCE WMFTRIPTAF LPDEDQGVLF AQVQTPPGSS AERTQVVVDS MREYLLEKES DATA SEQUENCE SSVSSVFTVT GFNFAGRGQS SGMAFIMLKP WEERPGGENS VFELAKRAQM DATA SEQUENCE HFFSFKDAMV FAFAPPSVLX XXXXTGFDLF LQDQAGVGHE VLLQARNKFL DATA SEQUENCE MLAAQNPALQ RVRPNGMSDE PQYKLEIDDE KASALGVSLA DINSTVSIAW DATA SEQUENCE GSSYVNDFID RGRVKRVYLQ GRPDARMNPD DLSKWYVRND KGEMVPFNAF DATA SEQUENCE ATGKWEYGSP KLERYNGVPA MEILGEPAPG LSSGDAMAAV EEIVKQLPKG DATA SEQUENCE VGYSWTGLSY EERLSGSQAP ALYALSLLVV FLCLAALYES WSIPFSVMLV DATA SEQUENCE VPLGVIGALL ATSMRGLSND VFFQVGLLTT IGLSAKNAIL IVEFAKELHE DATA SEQUENCE QGKGIVEAAI EACRMRLRPI VMTSLAFILG VVPLAISTGA GSGSQHAIGT DATA SEQUENCE GVIGGMVTAT VLAIFWVPLF YV 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.644 175.800 -0.260 0.000 0.967 4 F CA 0.000 57.876 58.000 -0.207 0.000 1.383 4 F CB 0.000 38.779 39.000 -0.368 0.000 1.145 5 F N 1.242 121.091 119.950 -0.169 0.000 2.293 5 F HA 0.028 4.558 4.527 0.006 0.000 0.297 5 F C 1.826 177.513 175.800 -0.188 0.000 1.089 5 F CA 1.241 59.063 58.000 -0.296 0.000 1.377 5 F CB -0.312 38.553 39.000 -0.225 0.000 1.051 5 F HN -0.064 nan 8.300 nan 0.000 0.511 6 I N 0.306 120.904 120.570 0.047 0.000 2.300 6 I HA -0.313 3.860 4.170 0.005 0.000 0.252 6 I C 1.654 177.763 176.117 -0.015 0.000 1.119 6 I CA 1.581 62.890 61.300 0.015 0.000 1.384 6 I CB -0.568 37.442 38.000 0.016 0.000 1.062 6 I HN 0.074 nan 8.210 nan 0.000 0.426 7 D N -0.136 120.224 120.400 -0.066 0.000 2.301 7 D HA 0.090 4.733 4.640 0.005 0.000 0.206 7 D C 0.930 177.166 176.300 -0.106 0.000 0.979 7 D CA 0.526 54.481 54.000 -0.075 0.000 0.874 7 D CB 0.172 40.926 40.800 -0.076 0.000 0.968 7 D HN 0.263 nan 8.370 nan 0.000 0.510 8 R N 1.008 121.388 120.500 -0.200 0.000 3.050 8 R HA 0.228 4.571 4.340 0.005 0.000 0.275 8 R C -1.940 174.386 176.300 0.043 0.000 1.373 8 R CA -1.285 54.730 56.100 -0.142 0.000 1.612 8 R CB 1.381 31.452 30.300 -0.381 0.000 1.218 8 R HN 0.016 nan 8.270 nan 0.000 0.621 9 P HA -0.151 nan 4.420 nan 0.000 0.214 9 P C 1.305 178.763 177.300 0.264 0.000 1.162 9 P CA 0.997 64.184 63.100 0.145 0.000 0.879 9 P CB 0.051 31.835 31.700 0.141 0.000 0.786 10 I N -4.147 116.584 120.570 0.268 0.000 3.291 10 I HA -0.029 4.144 4.170 0.005 0.000 0.279 10 I C 1.890 178.232 176.117 0.374 0.000 1.294 10 I CA 0.804 62.299 61.300 0.326 0.000 1.428 10 I CB -0.600 37.509 38.000 0.182 0.000 1.070 10 I HN -0.139 nan 8.210 nan 0.000 0.478 11 F N 1.577 121.621 119.950 0.157 0.000 2.179 11 F HA 0.028 4.558 4.527 0.005 0.000 0.292 11 F C 2.587 178.538 175.800 0.252 0.000 1.089 11 F CA 0.764 58.873 58.000 0.182 0.000 1.295 11 F CB 0.079 39.136 39.000 0.096 0.000 1.041 11 F HN 0.189 nan 8.300 nan 0.000 0.487 12 A N 0.244 123.252 122.820 0.314 0.000 1.986 12 A HA -0.280 4.043 4.320 0.005 0.000 0.220 12 A C 1.854 179.375 177.584 -0.105 0.000 1.171 12 A CA 1.765 53.741 52.037 -0.101 0.000 0.640 12 A CB -1.604 17.286 19.000 -0.184 0.000 0.811 12 A HN 0.731 nan 8.150 nan 0.000 0.451 13 W N -0.711 120.626 121.300 0.062 0.000 2.407 13 W HA -0.075 4.588 4.660 0.005 0.000 0.305 13 W C 2.305 178.867 176.519 0.072 0.000 1.196 13 W CA 1.103 58.475 57.345 0.045 0.000 1.311 13 W CB -0.303 29.187 29.460 0.050 0.000 1.135 13 W HN 0.106 nan 8.180 nan 0.000 0.514 14 V N 1.135 121.290 119.914 0.401 0.000 2.453 14 V HA -0.332 3.792 4.120 0.005 0.000 0.252 14 V C 2.010 178.254 176.094 0.251 0.000 1.068 14 V CA 1.722 64.209 62.300 0.311 0.000 1.070 14 V CB -0.838 31.181 31.823 0.326 0.000 0.664 14 V HN 0.240 nan 8.190 nan 0.000 0.461 15 I N 0.257 120.954 120.570 0.212 0.000 2.500 15 I HA -0.062 4.111 4.170 0.005 0.000 0.252 15 I C 2.308 178.440 176.117 0.025 0.000 1.142 15 I CA 1.900 63.258 61.300 0.096 0.000 1.451 15 I CB -0.704 37.283 38.000 -0.022 0.000 1.093 15 I HN 0.263 nan 8.210 nan 0.000 0.430 16 A N 1.693 124.516 122.820 0.006 0.000 1.873 16 A HA -0.112 4.211 4.320 0.005 0.000 0.215 16 A C 2.297 179.937 177.584 0.094 0.000 1.186 16 A CA 1.270 53.304 52.037 -0.005 0.000 0.616 16 A CB -0.837 18.106 19.000 -0.094 0.000 0.823 16 A HN 0.500 nan 8.150 nan 0.000 0.442 17 L N -0.483 120.848 121.223 0.181 0.000 2.042 17 L HA -0.192 4.151 4.340 0.005 0.000 0.210 17 L C 2.507 179.437 176.870 0.099 0.000 1.076 17 L CA 1.225 56.160 54.840 0.159 0.000 0.749 17 L CB -0.641 41.520 42.059 0.169 0.000 0.893 17 L HN 0.244 nan 8.230 nan 0.000 0.432 18 V N 0.106 120.076 119.914 0.095 0.000 2.490 18 V HA -0.275 3.848 4.120 0.005 0.000 0.250 18 V C 2.269 178.393 176.094 0.051 0.000 1.061 18 V CA 1.683 64.026 62.300 0.072 0.000 1.064 18 V CB -0.227 31.645 31.823 0.082 0.000 0.670 18 V HN 0.330 nan 8.190 nan 0.000 0.461 19 I N -0.849 119.747 120.570 0.042 0.000 2.286 19 I HA -0.256 3.918 4.170 0.005 0.000 0.245 19 I C 2.456 178.593 176.117 0.034 0.000 1.104 19 I CA 1.597 62.912 61.300 0.024 0.000 1.397 19 I CB -0.313 37.685 38.000 -0.002 0.000 1.072 19 I HN 0.269 nan 8.210 nan 0.000 0.417 20 M N 0.028 119.656 119.600 0.047 0.000 2.117 20 M HA -0.209 4.274 4.480 0.005 0.000 0.262 20 M C 2.406 178.729 176.300 0.038 0.000 1.065 20 M CA 1.526 56.857 55.300 0.051 0.000 1.114 20 M CB -0.406 32.236 32.600 0.069 0.000 1.361 20 M HN 0.280 nan 8.290 nan 0.000 0.408 21 L N 0.750 121.997 121.223 0.040 0.000 2.013 21 L HA -0.202 4.141 4.340 0.005 0.000 0.212 21 L C 2.617 179.499 176.870 0.021 0.000 1.073 21 L CA 2.302 57.159 54.840 0.028 0.000 0.753 21 L CB -1.002 41.077 42.059 0.034 0.000 0.890 21 L HN 0.311 nan 8.230 nan 0.000 0.432 22 A N -0.717 122.120 122.820 0.027 0.000 2.019 22 A HA -0.080 4.243 4.320 0.005 0.000 0.219 22 A C 2.270 179.872 177.584 0.029 0.000 1.164 22 A CA 1.429 53.481 52.037 0.026 0.000 0.644 22 A CB -0.937 18.079 19.000 0.027 0.000 0.805 22 A HN 0.533 nan 8.150 nan 0.000 0.449 23 G N -0.343 108.478 108.800 0.036 0.000 2.464 23 G HA2 0.085 4.049 3.960 0.005 0.000 0.214 23 G HA3 0.085 4.049 3.960 0.005 0.000 0.214 23 G C 1.603 176.486 174.900 -0.028 0.000 1.218 23 G CA 1.089 46.220 45.100 0.051 0.000 0.794 23 G HN 0.659 nan 8.290 nan 0.000 0.542 24 G N 0.768 109.541 108.800 -0.045 0.000 2.513 24 G HA2 -0.213 3.750 3.960 0.005 0.000 0.219 24 G HA3 -0.213 3.750 3.960 0.005 0.000 0.219 24 G C 1.760 176.616 174.900 -0.073 0.000 1.160 24 G CA 1.110 46.160 45.100 -0.084 0.000 0.767 24 G HN 0.302 nan 8.290 nan 0.000 0.571 25 L N 1.162 122.365 121.223 -0.034 0.000 2.079 25 L HA -0.042 4.301 4.340 0.005 0.000 0.210 25 L C 3.086 179.941 176.870 -0.024 0.000 1.081 25 L CA 1.865 56.691 54.840 -0.023 0.000 0.752 25 L CB -0.688 41.369 42.059 -0.004 0.000 0.896 25 L HN 0.199 nan 8.230 nan 0.000 0.433 26 S N -0.937 114.752 115.700 -0.018 0.000 2.406 26 S HA -0.014 4.459 4.470 0.005 0.000 0.228 26 S C 1.988 176.561 174.600 -0.046 0.000 1.020 26 S CA 0.793 58.993 58.200 0.001 0.000 0.965 26 S CB -0.158 63.075 63.200 0.056 0.000 0.798 26 S HN 0.357 nan 8.310 nan 0.000 0.488 27 I N 1.669 122.145 120.570 -0.156 0.000 2.226 27 I HA -0.146 4.027 4.170 0.005 0.000 0.245 27 I C 1.655 177.694 176.117 -0.129 0.000 1.100 27 I CA 1.154 62.304 61.300 -0.249 0.000 1.374 27 I CB -0.418 37.336 38.000 -0.410 0.000 1.057 27 I HN 0.234 nan 8.210 nan 0.000 0.413 28 L N 0.347 121.513 121.223 -0.094 0.000 2.633 28 L HA -0.086 4.257 4.340 0.005 0.000 0.235 28 L C 1.999 178.848 176.870 -0.034 0.000 1.163 28 L CA 1.023 55.827 54.840 -0.060 0.000 0.859 28 L CB -0.533 41.498 42.059 -0.048 0.000 0.973 28 L HN 0.424 nan 8.230 nan 0.000 0.451 29 S N -2.419 113.266 115.700 -0.024 0.000 2.648 29 S HA 0.175 4.648 4.470 0.005 0.000 0.270 29 S C 0.496 175.104 174.600 0.012 0.000 1.082 29 S CA -0.476 57.722 58.200 -0.004 0.000 1.116 29 S CB 0.106 63.309 63.200 0.004 0.000 1.040 29 S HN 0.111 nan 8.310 nan 0.000 0.572 30 L N 4.037 125.271 121.223 0.019 0.000 2.490 30 L HA 0.312 4.655 4.340 0.005 0.000 0.274 30 L C -2.093 174.802 176.870 0.042 0.000 1.201 30 L CA -1.665 53.206 54.840 0.051 0.000 0.869 30 L CB 0.244 42.356 42.059 0.089 0.000 1.123 30 L HN 0.199 nan 8.230 nan 0.000 0.484 31 P HA 0.032 nan 4.420 nan 0.000 0.268 31 P C -0.926 176.398 177.300 0.039 0.000 1.204 31 P CA -0.074 63.050 63.100 0.040 0.000 0.768 31 P CB 0.906 32.635 31.700 0.047 0.000 0.842 32 V N 4.659 124.586 119.914 0.022 0.000 2.326 32 V HA 0.263 4.386 4.120 0.005 0.000 0.281 32 V C 0.291 176.384 176.094 -0.002 0.000 1.015 32 V CA -0.338 61.969 62.300 0.013 0.000 0.823 32 V CB 0.641 32.467 31.823 0.005 0.000 1.009 32 V HN 0.700 nan 8.190 nan 0.000 0.436 33 N N 3.009 121.701 118.700 -0.013 0.000 3.167 33 N HA 0.425 5.169 4.740 0.005 0.000 0.323 33 N C 0.480 175.938 175.510 -0.088 0.000 1.478 33 N CA -0.969 52.066 53.050 -0.025 0.000 0.753 33 N CB 1.257 39.749 38.487 0.008 0.000 1.721 33 N HN 0.265 nan 8.380 nan 0.000 0.618 34 Q N -1.741 118.000 119.800 -0.099 0.000 2.061 34 Q HA 0.224 4.567 4.340 0.005 0.000 0.195 34 Q C -0.560 175.094 176.000 -0.577 0.000 0.967 34 Q CA 1.159 56.787 55.803 -0.292 0.000 0.829 34 Q CB 0.190 28.849 28.738 -0.131 0.000 0.900 34 Q HN 0.583 nan 8.270 nan 0.000 0.450 35 Y N -1.114 119.192 120.300 0.010 0.000 2.609 35 Y HA 0.393 4.946 4.550 0.005 0.000 0.342 35 Y C -2.243 173.652 175.900 -0.008 0.000 1.058 35 Y CA -2.960 55.139 58.100 -0.000 0.000 1.055 35 Y CB 0.916 39.381 38.460 0.009 0.000 1.292 35 Y HN 0.006 nan 8.280 nan 0.000 0.476 36 P HA 0.125 nan 4.420 nan 0.000 0.266 36 P C -0.948 176.400 177.300 0.079 0.000 1.195 36 P CA -0.127 63.001 63.100 0.046 0.000 0.768 36 P CB 0.431 32.121 31.700 -0.015 0.000 0.838 37 A N 3.947 126.797 122.820 0.051 0.000 2.491 37 A HA 0.224 4.547 4.320 0.005 0.000 0.261 37 A C 1.041 178.653 177.584 0.047 0.000 1.101 37 A CA 0.053 52.125 52.037 0.058 0.000 0.772 37 A CB -0.863 18.164 19.000 0.045 0.000 1.043 37 A HN 0.666 nan 8.150 nan 0.000 0.501 38 I N 0.048 120.655 120.570 0.061 0.000 4.338 38 I HA 0.430 4.603 4.170 0.005 0.000 0.329 38 I C 0.589 176.737 176.117 0.051 0.000 1.378 38 I CA 0.315 61.644 61.300 0.049 0.000 1.170 38 I CB -0.737 37.300 38.000 0.061 0.000 1.206 38 I HN 0.452 nan 8.210 nan 0.000 0.432 39 A N 3.379 126.236 122.820 0.062 0.000 2.331 39 A HA 0.752 5.076 4.320 0.005 0.000 0.283 39 A C -2.531 175.087 177.584 0.056 0.000 1.142 39 A CA -1.006 51.071 52.037 0.067 0.000 0.812 39 A CB -0.313 18.732 19.000 0.074 0.000 1.074 39 A HN 0.154 nan 8.150 nan 0.000 0.497 40 P HA 0.373 nan 4.420 nan 0.000 0.274 40 P C -2.583 174.749 177.300 0.053 0.000 1.231 40 P CA -1.119 62.011 63.100 0.051 0.000 0.790 40 P CB -0.142 31.581 31.700 0.038 0.000 0.951 41 P HA 0.351 nan 4.420 nan 0.000 0.272 41 P C -1.121 176.256 177.300 0.128 0.000 1.223 41 P CA -0.071 63.060 63.100 0.052 0.000 0.784 41 P CB 0.462 32.153 31.700 -0.015 0.000 0.923 42 A N 2.493 125.381 122.820 0.113 0.000 2.437 42 A HA 0.547 4.870 4.320 0.005 0.000 0.293 42 A C -1.009 176.659 177.584 0.140 0.000 1.038 42 A CA -0.478 51.661 52.037 0.169 0.000 0.708 42 A CB 0.486 19.529 19.000 0.072 0.000 1.251 42 A HN 0.328 nan 8.150 nan 0.000 0.409 43 I N 1.899 122.608 120.570 0.233 0.000 2.395 43 I HA 0.527 4.700 4.170 0.005 0.000 0.289 43 I C 0.731 176.903 176.117 0.092 0.000 1.023 43 I CA -0.002 61.384 61.300 0.143 0.000 1.350 43 I CB 1.493 39.609 38.000 0.193 0.000 1.409 43 I HN 0.744 nan 8.210 nan 0.000 0.507 44 A N 6.615 129.466 122.820 0.052 0.000 2.330 44 A HA 0.732 5.055 4.320 0.005 0.000 0.313 44 A C -0.922 176.674 177.584 0.021 0.000 1.124 44 A CA -0.572 51.484 52.037 0.032 0.000 0.774 44 A CB 0.987 20.003 19.000 0.027 0.000 1.198 44 A HN 0.383 nan 8.150 nan 0.000 0.465 45 V N 3.434 123.359 119.914 0.017 0.000 2.383 45 V HA 0.350 4.473 4.120 0.005 0.000 0.275 45 V C -0.003 176.096 176.094 0.008 0.000 1.036 45 V CA -0.109 62.197 62.300 0.010 0.000 0.889 45 V CB 0.896 32.726 31.823 0.011 0.000 0.985 45 V HN 0.931 nan 8.190 nan 0.000 0.459 46 Q N 3.225 123.023 119.800 -0.003 0.000 2.337 46 Q HA 0.747 5.090 4.340 0.005 0.000 0.270 46 Q C -1.089 174.905 176.000 -0.009 0.000 1.043 46 Q CA -0.409 55.391 55.803 -0.004 0.000 0.794 46 Q CB 3.067 31.792 28.738 -0.022 0.000 1.281 46 Q HN 0.569 nan 8.270 nan 0.000 0.446 47 V N 0.856 120.775 119.914 0.008 0.000 3.156 47 V HA 0.764 4.887 4.120 0.005 0.000 0.311 47 V C -1.421 174.688 176.094 0.026 0.000 1.208 47 V CA -0.411 61.892 62.300 0.005 0.000 1.063 47 V CB 2.670 34.499 31.823 0.010 0.000 1.098 47 V HN 0.732 nan 8.190 nan 0.000 0.452 48 S N 0.638 116.353 115.700 0.025 0.000 2.546 48 S HA 0.671 5.144 4.470 0.005 0.000 0.274 48 S C -2.231 172.433 174.600 0.106 0.000 1.121 48 S CA -0.305 57.935 58.200 0.066 0.000 0.887 48 S CB 1.513 64.734 63.200 0.035 0.000 1.094 48 S HN 0.736 nan 8.310 nan 0.000 0.474 49 Y N 4.298 124.613 120.300 0.025 0.000 2.488 49 Y HA 0.474 5.028 4.550 0.005 0.000 0.330 49 Y C -2.729 173.203 175.900 0.053 0.000 1.013 49 Y CA -2.290 55.834 58.100 0.040 0.000 1.304 49 Y CB 1.186 39.669 38.460 0.038 0.000 1.098 49 Y HN 0.417 nan 8.280 nan 0.000 0.498 50 P HA 0.177 nan 4.420 nan 0.000 0.263 50 P C 0.552 178.019 177.300 0.278 0.000 1.195 50 P CA 1.560 64.808 63.100 0.246 0.000 0.762 50 P CB 0.595 32.439 31.700 0.239 0.000 0.799 51 G N 2.182 111.081 108.800 0.164 0.000 2.221 51 G HA2 -0.082 3.881 3.960 0.005 0.000 0.265 51 G HA3 -0.082 3.881 3.960 0.005 0.000 0.265 51 G C 0.302 175.233 174.900 0.051 0.000 1.041 51 G CA 0.011 45.182 45.100 0.119 0.000 0.807 51 G HN 0.829 nan 8.290 nan 0.000 0.502 52 A N -0.331 122.482 122.820 -0.012 0.000 2.306 52 A HA 0.913 5.236 4.320 0.005 0.000 0.330 52 A C 0.646 178.155 177.584 -0.125 0.000 1.146 52 A CA 0.543 52.449 52.037 -0.219 0.000 0.827 52 A CB 1.099 19.747 19.000 -0.586 0.000 1.178 52 A HN 1.843 nan 8.150 nan 0.000 0.490 53 S N 0.754 116.368 115.700 -0.143 0.000 2.586 53 S HA 0.513 4.986 4.470 0.005 0.000 0.274 53 S C 1.177 175.728 174.600 -0.080 0.000 1.281 53 S CA -0.095 58.053 58.200 -0.087 0.000 1.035 53 S CB 1.420 64.571 63.200 -0.082 0.000 0.962 53 S HN 1.692 nan 8.310 nan 0.000 0.512 54 A N 1.349 124.141 122.820 -0.047 0.000 1.997 54 A HA -0.159 4.164 4.320 0.005 0.000 0.221 54 A C 2.141 179.703 177.584 -0.038 0.000 1.172 54 A CA 1.635 53.654 52.037 -0.029 0.000 0.645 54 A CB -0.791 18.199 19.000 -0.016 0.000 0.813 54 A HN 0.885 nan 8.150 nan 0.000 0.454 55 E N -0.589 119.578 120.200 -0.056 0.000 2.107 55 E HA -0.118 4.235 4.350 0.005 0.000 0.191 55 E C 2.299 178.864 176.600 -0.058 0.000 0.982 55 E CA 1.778 58.146 56.400 -0.054 0.000 0.809 55 E CB -0.352 29.310 29.700 -0.064 0.000 0.756 55 E HN 0.822 nan 8.360 nan 0.000 0.459 56 T N -1.291 113.206 114.554 -0.094 0.000 2.985 56 T HA -0.010 4.343 4.350 0.005 0.000 0.266 56 T C 2.140 176.766 174.700 -0.124 0.000 1.076 56 T CA 0.593 62.617 62.100 -0.127 0.000 1.135 56 T CB -0.305 68.433 68.868 -0.216 0.000 0.890 56 T HN -0.102 nan 8.240 nan 0.000 0.480 57 V N 1.858 121.709 119.914 -0.106 0.000 2.358 57 V HA -0.200 3.924 4.120 0.005 0.000 0.246 57 V C 2.917 179.017 176.094 0.010 0.000 1.047 57 V CA 2.094 64.375 62.300 -0.032 0.000 1.035 57 V CB -0.684 31.137 31.823 -0.005 0.000 0.658 57 V HN 0.570 nan 8.190 nan 0.000 0.452 58 Q N -0.084 119.716 119.800 0.000 0.000 1.990 58 Q HA -0.234 4.110 4.340 0.005 0.000 0.200 58 Q C 1.770 177.779 176.000 0.015 0.000 0.980 58 Q CA 2.134 57.946 55.803 0.014 0.000 0.832 58 Q CB -0.158 28.588 28.738 0.014 0.000 0.897 58 Q HN 0.587 nan 8.270 nan 0.000 0.427 59 D N -0.560 119.842 120.400 0.005 0.000 2.312 59 D HA -0.048 4.595 4.640 0.005 0.000 0.211 59 D C 1.255 177.568 176.300 0.021 0.000 0.964 59 D CA 1.051 55.057 54.000 0.010 0.000 0.877 59 D CB 0.136 40.936 40.800 0.001 0.000 0.924 59 D HN 0.240 nan 8.370 nan 0.000 0.515 60 T N -0.798 113.774 114.554 0.029 0.000 3.042 60 T HA 0.107 4.461 4.350 0.005 0.000 0.245 60 T C 1.840 176.591 174.700 0.085 0.000 1.029 60 T CA 0.164 62.301 62.100 0.062 0.000 1.120 60 T CB 0.661 69.577 68.868 0.080 0.000 0.917 60 T HN -0.094 nan 8.240 nan 0.000 0.467 61 V N 0.289 120.253 119.914 0.083 0.000 2.988 61 V HA 0.106 4.229 4.120 0.005 0.000 0.223 61 V C 2.274 178.397 176.094 0.048 0.000 1.144 61 V CA 0.315 62.664 62.300 0.081 0.000 1.242 61 V CB -0.693 31.195 31.823 0.109 0.000 1.073 61 V HN 0.136 nan 8.190 nan 0.000 0.508 62 V N 0.506 120.445 119.914 0.042 0.000 2.232 62 V HA -0.447 3.677 4.120 0.005 0.000 0.251 62 V C 2.542 178.645 176.094 0.016 0.000 1.048 62 V CA 2.836 65.151 62.300 0.026 0.000 1.029 62 V CB -1.015 30.823 31.823 0.025 0.000 0.658 62 V HN 0.638 nan 8.190 nan 0.000 0.464 63 Q N -0.892 118.918 119.800 0.016 0.000 2.268 63 Q HA -0.217 4.126 4.340 0.005 0.000 0.210 63 Q C 2.168 178.174 176.000 0.010 0.000 0.988 63 Q CA 2.004 57.813 55.803 0.010 0.000 0.883 63 Q CB -0.413 28.333 28.738 0.013 0.000 0.911 63 Q HN 0.662 nan 8.270 nan 0.000 0.430 64 V N 1.504 121.429 119.914 0.018 0.000 2.379 64 V HA -0.206 3.917 4.120 0.005 0.000 0.245 64 V C 2.218 178.319 176.094 0.012 0.000 1.044 64 V CA 1.536 63.847 62.300 0.018 0.000 1.036 64 V CB -0.618 31.221 31.823 0.027 0.000 0.664 64 V HN 0.499 nan 8.190 nan 0.000 0.453 65 I N -0.126 120.451 120.570 0.011 0.000 2.584 65 I HA -0.100 4.073 4.170 0.005 0.000 0.255 65 I C 2.176 178.289 176.117 -0.005 0.000 1.145 65 I CA 1.803 63.106 61.300 0.005 0.000 1.462 65 I CB -0.796 37.208 38.000 0.008 0.000 1.102 65 I HN 0.435 nan 8.210 nan 0.000 0.433 66 E N 1.077 121.271 120.200 -0.010 0.000 2.153 66 E HA -0.244 4.110 4.350 0.005 0.000 0.194 66 E C 2.027 178.612 176.600 -0.025 0.000 0.988 66 E CA 1.160 57.545 56.400 -0.025 0.000 0.811 66 E CB -0.053 29.631 29.700 -0.027 0.000 0.746 66 E HN 0.648 nan 8.360 nan 0.000 0.466 67 Q N -0.677 119.115 119.800 -0.013 0.000 2.482 67 Q HA -0.044 4.299 4.340 0.005 0.000 0.209 67 Q C 1.229 177.223 176.000 -0.011 0.000 0.961 67 Q CA 0.344 56.140 55.803 -0.011 0.000 0.945 67 Q CB 0.431 29.166 28.738 -0.004 0.000 1.012 67 Q HN 0.241 nan 8.270 nan 0.000 0.515 68 Q N -0.826 118.967 119.800 -0.011 0.000 2.246 68 Q HA 0.129 4.473 4.340 0.005 0.000 0.222 68 Q C 0.159 176.151 176.000 -0.012 0.000 0.851 68 Q CA 0.074 55.872 55.803 -0.007 0.000 0.945 68 Q CB 0.568 29.305 28.738 -0.001 0.000 1.122 68 Q HN 0.276 nan 8.270 nan 0.000 0.508 69 M N 3.232 122.817 119.600 -0.024 0.000 3.705 69 M HA 0.037 4.520 4.480 0.005 0.000 0.191 69 M C -0.481 175.792 176.300 -0.046 0.000 1.570 69 M CA -0.169 55.108 55.300 -0.039 0.000 1.714 69 M CB -1.384 31.178 32.600 -0.064 0.000 1.148 69 M HN 0.067 nan 8.290 nan 0.000 0.547 70 N N -1.944 116.739 118.700 -0.027 0.000 2.571 70 N HA 0.723 5.466 4.740 0.005 0.000 0.273 70 N C 0.612 176.116 175.510 -0.010 0.000 1.340 70 N CA -0.270 52.765 53.050 -0.025 0.000 0.789 70 N CB 0.457 38.932 38.487 -0.020 0.000 1.514 70 N HN 0.250 nan 8.380 nan 0.000 0.499 71 G N -0.986 107.810 108.800 -0.007 0.000 2.166 71 G HA2 -0.262 3.702 3.960 0.005 0.000 0.260 71 G HA3 -0.262 3.702 3.960 0.005 0.000 0.260 71 G C -0.363 174.547 174.900 0.017 0.000 0.986 71 G CA 0.619 45.721 45.100 0.004 0.000 0.683 71 G HN 0.643 nan 8.290 nan 0.000 0.527 72 I N 1.130 121.710 120.570 0.017 0.000 2.395 72 I HA 0.236 4.409 4.170 0.005 0.000 0.289 72 I C -0.012 176.147 176.117 0.071 0.000 1.023 72 I CA -0.806 60.529 61.300 0.059 0.000 1.350 72 I CB 0.748 38.785 38.000 0.062 0.000 1.409 72 I HN -0.086 nan 8.210 nan 0.000 0.507 73 D N 5.904 126.373 120.400 0.116 0.000 2.382 73 D HA 0.062 4.705 4.640 0.005 0.000 0.245 73 D C 0.401 176.811 176.300 0.183 0.000 1.120 73 D CA 0.435 54.501 54.000 0.109 0.000 0.890 73 D CB 0.325 41.174 40.800 0.081 0.000 1.201 73 D HN 0.419 nan 8.370 nan 0.000 0.433 74 N N 0.770 119.539 118.700 0.115 0.000 2.735 74 N HA -0.178 4.565 4.740 0.005 0.000 0.248 74 N C -0.694 174.859 175.510 0.071 0.000 1.083 74 N CA 0.167 53.295 53.050 0.131 0.000 0.703 74 N CB -0.844 37.763 38.487 0.200 0.000 1.005 74 N HN 0.364 nan 8.380 nan 0.000 0.550 75 L N 1.075 122.247 121.223 -0.085 0.000 2.385 75 L HA 0.155 4.498 4.340 0.005 0.000 0.281 75 L C 1.515 178.232 176.870 -0.256 0.000 1.106 75 L CA 0.515 55.162 54.840 -0.322 0.000 0.856 75 L CB 1.043 42.946 42.059 -0.259 0.000 1.186 75 L HN 0.159 nan 8.230 nan 0.000 0.453 76 R N 5.790 126.070 120.500 -0.366 0.000 2.060 76 R HA 0.063 4.406 4.340 0.005 0.000 0.218 76 R C -0.690 175.427 176.300 -0.305 0.000 1.200 76 R CA 1.572 57.481 56.100 -0.318 0.000 0.935 76 R CB -0.095 29.894 30.300 -0.517 0.000 0.814 76 R HN 0.650 nan 8.270 nan 0.000 0.460 77 Y N -2.257 117.832 120.300 -0.351 0.000 2.571 77 Y HA 0.565 5.118 4.550 0.005 0.000 0.341 77 Y C -0.982 174.610 175.900 -0.514 0.000 1.076 77 Y CA -1.603 56.233 58.100 -0.439 0.000 1.029 77 Y CB 1.114 39.288 38.460 -0.477 0.000 1.308 77 Y HN 0.079 nan 8.280 nan 0.000 0.461 78 I N 2.885 123.251 120.570 -0.341 0.000 2.530 78 I HA 0.691 4.864 4.170 0.005 0.000 0.297 78 I C -1.043 174.758 176.117 -0.527 0.000 1.011 78 I CA -0.540 60.546 61.300 -0.356 0.000 1.107 78 I CB 1.886 39.713 38.000 -0.288 0.000 1.285 78 I HN 0.802 nan 8.210 nan 0.000 0.436 79 S N 5.723 121.205 115.700 -0.363 0.000 2.750 79 S HA 0.480 4.953 4.470 0.005 0.000 0.276 79 S C -0.592 173.914 174.600 -0.158 0.000 1.165 79 S CA -0.450 57.522 58.200 -0.382 0.000 1.047 79 S CB 0.890 63.815 63.200 -0.458 0.000 1.056 79 S HN 0.772 nan 8.310 nan 0.000 0.481 80 S N 2.721 118.360 115.700 -0.102 0.000 2.719 80 S HA 0.790 5.263 4.470 0.005 0.000 0.285 80 S C -0.318 174.308 174.600 0.043 0.000 1.137 80 S CA -0.644 57.545 58.200 -0.019 0.000 1.012 80 S CB 1.262 64.454 63.200 -0.014 0.000 1.134 80 S HN 0.931 nan 8.310 nan 0.000 0.544 81 E N -0.367 119.866 120.200 0.055 0.000 2.683 81 E HA 0.264 4.617 4.350 0.005 0.000 0.339 81 E C -1.932 174.709 176.600 0.068 0.000 0.921 81 E CA -0.328 56.119 56.400 0.079 0.000 0.786 81 E CB 1.039 30.797 29.700 0.096 0.000 1.363 81 E HN 0.548 nan 8.360 nan 0.000 0.401 82 S N 3.484 119.220 115.700 0.061 0.000 2.498 82 S HA 0.440 4.913 4.470 0.005 0.000 0.324 82 S C -0.545 174.082 174.600 0.046 0.000 1.071 82 S CA -0.686 57.544 58.200 0.049 0.000 1.113 82 S CB 0.843 64.064 63.200 0.035 0.000 0.976 82 S HN 0.474 nan 8.310 nan 0.000 0.462 83 N N 0.752 119.484 118.700 0.053 0.000 2.472 83 N HA 0.262 5.006 4.740 0.005 0.000 0.289 83 N C 0.913 176.444 175.510 0.034 0.000 1.156 83 N CA -0.553 52.527 53.050 0.050 0.000 0.940 83 N CB 1.049 39.582 38.487 0.076 0.000 1.200 83 N HN 0.504 nan 8.380 nan 0.000 0.511 84 S N -0.839 114.877 115.700 0.026 0.000 2.660 84 S HA -0.037 4.436 4.470 0.005 0.000 0.228 84 S C 0.545 175.166 174.600 0.034 0.000 0.966 84 S CA 0.514 58.723 58.200 0.016 0.000 0.940 84 S CB -0.087 63.119 63.200 0.010 0.000 0.773 84 S HN 0.443 nan 8.310 nan 0.000 0.535 85 D N 1.484 121.916 120.400 0.054 0.000 2.355 85 D HA 0.199 4.842 4.640 0.005 0.000 0.218 85 D C 1.605 177.950 176.300 0.075 0.000 1.004 85 D CA 0.900 54.943 54.000 0.071 0.000 0.880 85 D CB -0.197 40.657 40.800 0.091 0.000 0.911 85 D HN 0.597 nan 8.370 nan 0.000 0.528 86 G N 0.143 108.981 108.800 0.064 0.000 2.148 86 G HA2 -0.270 3.693 3.960 0.005 0.000 0.254 86 G HA3 -0.270 3.693 3.960 0.005 0.000 0.254 86 G C 0.235 175.203 174.900 0.112 0.000 0.981 86 G CA 0.393 45.548 45.100 0.091 0.000 0.670 86 G HN 0.292 nan 8.290 nan 0.000 0.528 87 S N 0.719 116.472 115.700 0.088 0.000 2.399 87 S HA 0.611 5.084 4.470 0.005 0.000 0.301 87 S C 0.246 174.895 174.600 0.081 0.000 1.093 87 S CA 0.172 58.424 58.200 0.086 0.000 1.077 87 S CB 0.884 64.141 63.200 0.095 0.000 0.980 87 S HN 0.820 nan 8.310 nan 0.000 0.494 88 M N 2.058 121.703 119.600 0.075 0.000 2.336 88 M HA 0.678 5.161 4.480 0.005 0.000 0.342 88 M C -0.732 175.602 176.300 0.056 0.000 1.128 88 M CA 0.043 55.382 55.300 0.065 0.000 1.016 88 M CB 1.320 33.957 32.600 0.063 0.000 1.665 88 M HN 0.175 nan 8.290 nan 0.000 0.445 89 T N 5.572 120.159 114.554 0.057 0.000 3.103 89 T HA 0.503 4.856 4.350 0.005 0.000 0.352 89 T C -0.981 173.741 174.700 0.037 0.000 1.048 89 T CA -0.422 61.708 62.100 0.051 0.000 1.175 89 T CB 0.177 69.090 68.868 0.076 0.000 1.029 89 T HN 0.798 nan 8.240 nan 0.000 0.498 90 I N 2.292 122.873 120.570 0.018 0.000 2.365 90 I HA 0.610 4.784 4.170 0.005 0.000 0.291 90 I C -0.429 175.682 176.117 -0.010 0.000 1.004 90 I CA 0.333 61.630 61.300 -0.005 0.000 1.311 90 I CB 1.129 39.118 38.000 -0.017 0.000 1.401 90 I HN 0.357 nan 8.210 nan 0.000 0.491 91 T N 7.389 121.926 114.554 -0.028 0.000 2.791 91 T HA 0.395 4.748 4.350 0.005 0.000 0.288 91 T C -0.842 173.816 174.700 -0.071 0.000 0.999 91 T CA -0.394 61.693 62.100 -0.021 0.000 0.952 91 T CB 1.151 70.020 68.868 0.003 0.000 0.938 91 T HN 0.588 nan 8.240 nan 0.000 0.444 92 V N 4.768 124.642 119.914 -0.067 0.000 2.328 92 V HA 0.540 4.663 4.120 0.005 0.000 0.278 92 V C -0.052 175.888 176.094 -0.256 0.000 1.021 92 V CA -0.040 62.142 62.300 -0.197 0.000 0.838 92 V CB 0.941 32.636 31.823 -0.213 0.000 0.999 92 V HN 0.880 nan 8.190 nan 0.000 0.447 93 T N 8.223 122.527 114.554 -0.416 0.000 2.845 93 T HA 0.595 4.948 4.350 0.005 0.000 0.288 93 T C -0.608 173.743 174.700 -0.581 0.000 0.980 93 T CA 0.242 62.090 62.100 -0.420 0.000 1.071 93 T CB 0.611 69.067 68.868 -0.687 0.000 0.941 93 T HN 0.531 nan 8.240 nan 0.000 0.487 94 F N 1.041 120.855 119.950 -0.228 0.000 2.497 94 F HA 0.516 5.046 4.527 0.005 0.000 0.331 94 F C 0.790 176.516 175.800 -0.122 0.000 1.060 94 F CA -1.300 56.608 58.000 -0.154 0.000 0.989 94 F CB 0.925 39.869 39.000 -0.093 0.000 1.245 94 F HN 0.368 nan 8.300 nan 0.000 0.486 95 E N 0.612 120.882 120.200 0.116 0.000 2.404 95 E HA 0.053 4.406 4.350 0.005 0.000 0.261 95 E C -0.727 175.918 176.600 0.076 0.000 1.074 95 E CA -0.236 56.208 56.400 0.075 0.000 0.917 95 E CB 0.476 30.218 29.700 0.070 0.000 0.965 95 E HN 0.367 nan 8.360 nan 0.000 0.433 96 Q N 1.391 121.224 119.800 0.054 0.000 2.304 96 Q HA 0.275 4.619 4.340 0.005 0.000 0.301 96 Q C -0.036 175.983 176.000 0.032 0.000 1.063 96 Q CA 1.631 57.457 55.803 0.038 0.000 0.947 96 Q CB 0.373 29.125 28.738 0.023 0.000 1.201 96 Q HN 0.733 nan 8.270 nan 0.000 0.389 97 G N 2.856 111.670 108.800 0.023 0.000 2.422 97 G HA2 -0.189 3.774 3.960 0.005 0.000 0.290 97 G HA3 -0.189 3.774 3.960 0.005 0.000 0.290 97 G C -0.423 174.483 174.900 0.011 0.000 1.059 97 G CA 0.238 45.347 45.100 0.014 0.000 1.242 97 G HN 0.642 nan 8.290 nan 0.000 0.520 98 T N 0.675 115.228 114.554 -0.002 0.000 2.909 98 T HA 0.427 4.780 4.350 0.005 0.000 0.299 98 T C -0.742 173.912 174.700 -0.077 0.000 1.073 98 T CA -0.627 61.455 62.100 -0.029 0.000 0.999 98 T CB 2.002 70.865 68.868 -0.009 0.000 1.098 98 T HN 0.281 nan 8.240 nan 0.000 0.477 99 D N 2.764 123.103 120.400 -0.102 0.000 2.352 99 D HA 0.207 4.851 4.640 0.005 0.000 0.245 99 D C -1.506 174.686 176.300 -0.181 0.000 1.224 99 D CA -2.053 51.882 54.000 -0.109 0.000 0.879 99 D CB 1.629 42.379 40.800 -0.084 0.000 1.057 99 D HN 0.075 nan 8.370 nan 0.000 0.491 100 P HA -0.146 nan 4.420 nan 0.000 0.217 100 P C 0.649 177.845 177.300 -0.173 0.000 1.148 100 P CA 0.934 63.921 63.100 -0.189 0.000 0.834 100 P CB 0.440 32.079 31.700 -0.102 0.000 0.783 101 D N -1.247 119.081 120.400 -0.121 0.000 2.144 101 D HA -0.104 4.539 4.640 0.005 0.000 0.200 101 D C 1.825 178.060 176.300 -0.109 0.000 0.978 101 D CA 0.952 54.896 54.000 -0.092 0.000 0.833 101 D CB -0.468 40.295 40.800 -0.061 0.000 0.961 101 D HN 0.128 nan 8.370 nan 0.000 0.470 102 I N 0.601 121.091 120.570 -0.134 0.000 2.584 102 I HA 0.021 4.195 4.170 0.005 0.000 0.255 102 I C 2.347 178.350 176.117 -0.191 0.000 1.145 102 I CA 0.345 61.570 61.300 -0.125 0.000 1.462 102 I CB -1.279 36.662 38.000 -0.099 0.000 1.102 102 I HN -0.130 nan 8.210 nan 0.000 0.433 103 A N 0.707 123.302 122.820 -0.374 0.000 1.865 103 A HA -0.290 4.033 4.320 0.005 0.000 0.217 103 A C 2.368 179.760 177.584 -0.320 0.000 1.191 103 A CA 2.063 53.675 52.037 -0.708 0.000 0.623 103 A CB -0.893 17.238 19.000 -1.449 0.000 0.826 103 A HN 0.480 nan 8.150 nan 0.000 0.444 104 Q N -0.505 119.156 119.800 -0.231 0.000 2.061 104 Q HA -0.155 4.188 4.340 0.005 0.000 0.204 104 Q C 2.074 178.044 176.000 -0.050 0.000 0.984 104 Q CA 2.113 57.859 55.803 -0.095 0.000 0.846 104 Q CB -0.259 28.434 28.738 -0.075 0.000 0.902 104 Q HN 0.416 nan 8.270 nan 0.000 0.421 105 V N 0.849 120.727 119.914 -0.060 0.000 2.287 105 V HA -0.306 3.817 4.120 0.005 0.000 0.248 105 V C 2.258 178.346 176.094 -0.011 0.000 1.053 105 V CA 2.158 64.440 62.300 -0.031 0.000 1.027 105 V CB -0.508 31.294 31.823 -0.034 0.000 0.646 105 V HN 0.450 nan 8.190 nan 0.000 0.447 106 Q N -1.061 118.733 119.800 -0.010 0.000 2.123 106 Q HA -0.131 4.213 4.340 0.005 0.000 0.199 106 Q C 2.341 178.376 176.000 0.059 0.000 0.966 106 Q CA 1.428 57.248 55.803 0.029 0.000 0.845 106 Q CB -0.149 28.619 28.738 0.050 0.000 0.907 106 Q HN 0.526 nan 8.270 nan 0.000 0.439 107 V N 0.885 120.850 119.914 0.085 0.000 2.237 107 V HA -0.329 3.794 4.120 0.005 0.000 0.245 107 V C 2.297 178.418 176.094 0.045 0.000 1.046 107 V CA 2.217 64.573 62.300 0.093 0.000 1.007 107 V CB -0.514 31.386 31.823 0.129 0.000 0.638 107 V HN 0.425 nan 8.190 nan 0.000 0.445 108 Q N 0.021 119.838 119.800 0.029 0.000 2.124 108 Q HA -0.278 4.065 4.340 0.005 0.000 0.202 108 Q C 2.089 178.097 176.000 0.014 0.000 0.977 108 Q CA 2.042 57.855 55.803 0.017 0.000 0.850 108 Q CB -0.272 28.471 28.738 0.008 0.000 0.901 108 Q HN 0.733 nan 8.270 nan 0.000 0.429 109 N N 0.068 118.776 118.700 0.014 0.000 2.192 109 N HA -0.210 4.533 4.740 0.005 0.000 0.188 109 N C 1.220 176.738 175.510 0.013 0.000 1.013 109 N CA 1.570 54.627 53.050 0.011 0.000 0.863 109 N CB 0.086 38.580 38.487 0.011 0.000 0.990 109 N HN 0.031 nan 8.380 nan 0.000 0.430 110 K N 0.026 120.437 120.400 0.018 0.000 2.078 110 K HA 0.147 4.470 4.320 0.005 0.000 0.203 110 K C 1.682 178.289 176.600 0.011 0.000 1.043 110 K CA 0.335 56.631 56.287 0.014 0.000 0.960 110 K CB -1.050 31.460 32.500 0.017 0.000 0.761 110 K HN 0.201 nan 8.250 nan 0.000 0.448 111 L N 1.405 122.636 121.223 0.014 0.000 2.211 111 L HA -0.260 4.083 4.340 0.005 0.000 0.216 111 L C 1.896 178.772 176.870 0.009 0.000 1.092 111 L CA 1.890 56.737 54.840 0.011 0.000 0.767 111 L CB -0.471 41.595 42.059 0.012 0.000 0.894 111 L HN 0.178 nan 8.230 nan 0.000 0.437 112 Q N -0.760 119.044 119.800 0.008 0.000 2.187 112 Q HA -0.017 4.326 4.340 0.005 0.000 0.199 112 Q C 2.111 178.115 176.000 0.006 0.000 0.957 112 Q CA 1.388 57.195 55.803 0.006 0.000 0.857 112 Q CB -0.269 28.472 28.738 0.005 0.000 0.929 112 Q HN 0.635 nan 8.270 nan 0.000 0.453 113 L N -0.651 120.576 121.223 0.007 0.000 2.265 113 L HA -0.127 4.216 4.340 0.005 0.000 0.215 113 L C 1.968 178.842 176.870 0.007 0.000 1.117 113 L CA 1.045 55.889 54.840 0.007 0.000 0.782 113 L CB -0.526 41.536 42.059 0.006 0.000 0.914 113 L HN 0.216 nan 8.230 nan 0.000 0.441 114 A N -0.676 122.149 122.820 0.008 0.000 1.901 114 A HA -0.058 4.265 4.320 0.005 0.000 0.210 114 A C 2.254 179.845 177.584 0.011 0.000 1.208 114 A CA 1.138 53.181 52.037 0.010 0.000 0.644 114 A CB -0.640 18.366 19.000 0.010 0.000 0.863 114 A HN 0.243 nan 8.150 nan 0.000 0.454 115 T N 1.516 116.076 114.554 0.009 0.000 2.701 115 T HA -0.161 4.192 4.350 0.005 0.000 0.265 115 T C -0.372 174.333 174.700 0.008 0.000 1.032 115 T CA 2.375 64.480 62.100 0.008 0.000 1.158 115 T CB -1.370 67.501 68.868 0.004 0.000 0.854 115 T HN 0.392 nan 8.240 nan 0.000 0.463 116 P HA 0.034 nan 4.420 nan 0.000 0.219 116 P C 1.118 178.426 177.300 0.013 0.000 1.146 116 P CA 0.840 63.946 63.100 0.009 0.000 0.808 116 P CB -0.239 31.466 31.700 0.008 0.000 0.779 117 L N -2.305 118.927 121.223 0.016 0.000 2.627 117 L HA 0.081 4.424 4.340 0.005 0.000 0.232 117 L C 0.342 177.229 176.870 0.029 0.000 1.150 117 L CA -0.093 54.760 54.840 0.021 0.000 0.917 117 L CB -0.524 41.547 42.059 0.020 0.000 1.104 117 L HN -0.000 nan 8.230 nan 0.000 0.445 118 L N -0.326 120.913 121.223 0.026 0.000 2.352 118 L HA 0.471 4.814 4.340 0.005 0.000 0.269 118 L C -2.107 174.780 176.870 0.029 0.000 1.034 118 L CA -1.808 53.053 54.840 0.035 0.000 0.806 118 L CB 0.140 42.214 42.059 0.025 0.000 1.244 118 L HN -0.241 nan 8.230 nan 0.000 0.447 119 P HA 0.010 nan 4.420 nan 0.000 0.263 119 P C 0.127 177.403 177.300 -0.041 0.000 1.195 119 P CA 0.052 63.163 63.100 0.019 0.000 0.762 119 P CB 0.410 32.135 31.700 0.041 0.000 0.799 120 Q N 3.387 123.174 119.800 -0.021 0.000 2.234 120 Q HA -0.247 4.097 4.340 0.005 0.000 0.206 120 Q C 1.221 177.187 176.000 -0.057 0.000 0.980 120 Q CA 1.630 57.418 55.803 -0.026 0.000 0.869 120 Q CB -0.044 28.692 28.738 -0.003 0.000 0.912 120 Q HN 0.485 nan 8.270 nan 0.000 0.436 121 E N -0.481 119.661 120.200 -0.096 0.000 2.118 121 E HA -0.191 4.162 4.350 0.005 0.000 0.195 121 E C 1.975 178.397 176.600 -0.296 0.000 0.992 121 E CA 1.440 57.742 56.400 -0.163 0.000 0.804 121 E CB -0.114 29.464 29.700 -0.203 0.000 0.741 121 E HN 0.267 nan 8.360 nan 0.000 0.458 122 V N 0.786 120.479 119.914 -0.369 0.000 2.685 122 V HA -0.134 3.989 4.120 0.005 0.000 0.244 122 V C 2.042 178.047 176.094 -0.149 0.000 1.054 122 V CA 1.092 63.194 62.300 -0.331 0.000 1.076 122 V CB 0.087 31.716 31.823 -0.323 0.000 0.725 122 V HN 0.172 nan 8.190 nan 0.000 0.467 123 Q N -0.007 119.736 119.800 -0.096 0.000 2.045 123 Q HA -0.269 4.075 4.340 0.005 0.000 0.206 123 Q C 2.245 178.216 176.000 -0.049 0.000 0.991 123 Q CA 2.168 57.940 55.803 -0.051 0.000 0.851 123 Q CB -0.287 28.434 28.738 -0.027 0.000 0.911 123 Q HN 0.563 nan 8.270 nan 0.000 0.418 124 R N 0.298 120.775 120.500 -0.039 0.000 2.293 124 R HA -0.150 4.193 4.340 0.005 0.000 0.219 124 R C 2.059 178.300 176.300 -0.099 0.000 1.091 124 R CA 0.737 56.836 56.100 -0.002 0.000 1.004 124 R CB -0.050 30.308 30.300 0.097 0.000 0.865 124 R HN 0.194 nan 8.270 nan 0.000 0.469 125 Q N 0.263 119.969 119.800 -0.157 0.000 2.172 125 Q HA -0.000 4.343 4.340 0.005 0.000 0.200 125 Q C 0.258 176.158 176.000 -0.167 0.000 0.964 125 Q CA 1.223 56.885 55.803 -0.236 0.000 0.855 125 Q CB 0.430 29.061 28.738 -0.178 0.000 0.918 125 Q HN 0.407 nan 8.270 nan 0.000 0.444 126 G N 0.446 109.187 108.800 -0.098 0.000 2.858 126 G HA2 -0.172 3.791 3.960 0.005 0.000 0.272 126 G HA3 -0.172 3.791 3.960 0.005 0.000 0.272 126 G C -0.465 174.406 174.900 -0.049 0.000 1.003 126 G CA -0.085 44.977 45.100 -0.063 0.000 1.241 126 G HN 0.230 nan 8.290 nan 0.000 0.569 127 I N 1.137 121.686 120.570 -0.035 0.000 2.892 127 I HA 0.351 4.524 4.170 0.005 0.000 0.287 127 I C 1.209 177.312 176.117 -0.023 0.000 1.205 127 I CA 0.164 61.448 61.300 -0.025 0.000 1.409 127 I CB 0.611 38.603 38.000 -0.014 0.000 1.367 127 I HN 0.626 nan 8.210 nan 0.000 0.597 128 R N 4.108 124.593 120.500 -0.025 0.000 2.502 128 R HA 0.595 4.938 4.340 0.005 0.000 0.298 128 R C -2.005 174.286 176.300 -0.016 0.000 1.018 128 R CA -0.800 55.286 56.100 -0.023 0.000 0.899 128 R CB 1.168 31.442 30.300 -0.042 0.000 1.181 128 R HN 0.320 nan 8.270 nan 0.000 0.444 129 V N 3.256 123.169 119.914 -0.003 0.000 2.348 129 V HA 0.305 4.428 4.120 0.005 0.000 0.270 129 V C 0.539 176.638 176.094 0.009 0.000 1.037 129 V CA -0.315 61.988 62.300 0.005 0.000 0.872 129 V CB 0.852 32.680 31.823 0.009 0.000 1.002 129 V HN 0.963 nan 8.190 nan 0.000 0.464 130 T N 1.389 115.949 114.554 0.010 0.000 2.940 130 T HA 0.611 4.964 4.350 0.005 0.000 0.288 130 T C -0.090 174.622 174.700 0.021 0.000 1.033 130 T CA -0.957 61.154 62.100 0.018 0.000 1.033 130 T CB 1.910 70.790 68.868 0.019 0.000 1.079 130 T HN 0.737 nan 8.240 nan 0.000 0.496 131 K N 0.652 121.063 120.400 0.019 0.000 3.167 131 K HA 0.656 4.980 4.320 0.005 0.000 0.208 131 K C 0.246 176.860 176.600 0.023 0.000 1.159 131 K CA -0.899 55.395 56.287 0.010 0.000 1.018 131 K CB 0.445 32.931 32.500 -0.022 0.000 0.927 131 K HN 0.630 nan 8.250 nan 0.000 0.476 132 A N 0.596 123.439 122.820 0.039 0.000 2.445 132 A HA 0.557 4.880 4.320 0.005 0.000 0.270 132 A C -0.431 177.182 177.584 0.048 0.000 1.495 132 A CA -0.594 51.474 52.037 0.052 0.000 0.840 132 A CB 0.806 19.848 19.000 0.071 0.000 1.472 132 A HN 0.260 nan 8.150 nan 0.000 0.541 133 V N -0.782 119.165 119.914 0.056 0.000 2.680 133 V HA 0.355 4.478 4.120 0.005 0.000 0.309 133 V C 1.196 177.310 176.094 0.033 0.000 1.052 133 V CA -0.337 61.993 62.300 0.050 0.000 0.908 133 V CB 1.442 33.303 31.823 0.062 0.000 1.001 133 V HN 1.005 nan 8.190 nan 0.000 0.431 134 K N 3.392 123.805 120.400 0.020 0.000 2.108 134 K HA -0.282 4.041 4.320 0.005 0.000 0.217 134 K C 0.638 177.188 176.600 -0.083 0.000 0.846 134 K CA 2.940 59.216 56.287 -0.019 0.000 1.014 134 K CB -0.316 32.188 32.500 0.006 0.000 0.896 134 K HN 0.979 nan 8.250 nan 0.000 0.552 135 N N -0.623 118.061 118.700 -0.027 0.000 2.482 135 N HA 0.128 4.872 4.740 0.005 0.000 0.279 135 N C -0.684 174.889 175.510 0.105 0.000 1.182 135 N CA -0.466 52.566 53.050 -0.029 0.000 0.969 135 N CB 0.301 38.847 38.487 0.097 0.000 1.201 135 N HN -0.085 nan 8.380 nan 0.000 0.523 136 F N 0.536 120.672 119.950 0.310 0.000 2.543 136 F HA 0.127 4.657 4.527 0.005 0.000 0.375 136 F C 1.518 177.551 175.800 0.387 0.000 1.075 136 F CA -0.841 57.384 58.000 0.374 0.000 1.225 136 F CB 0.364 39.676 39.000 0.520 0.000 1.099 136 F HN 0.529 nan 8.300 nan 0.000 0.561 137 L N 4.727 126.219 121.223 0.449 0.000 2.131 137 L HA 0.154 4.497 4.340 0.005 0.000 0.206 137 L C 0.268 177.241 176.870 0.172 0.000 1.087 137 L CA 1.434 56.430 54.840 0.259 0.000 0.767 137 L CB -0.240 41.922 42.059 0.172 0.000 0.917 137 L HN 0.734 nan 8.230 nan 0.000 0.441 138 M N -3.129 116.591 119.600 0.201 0.000 3.231 138 M HA 0.453 4.936 4.480 0.005 0.000 0.282 138 M C -1.653 174.671 176.300 0.041 0.000 1.126 138 M CA -0.851 54.499 55.300 0.083 0.000 0.820 138 M CB 1.675 34.288 32.600 0.021 0.000 1.624 138 M HN -0.349 nan 8.290 nan 0.000 0.535 139 V N 2.033 121.908 119.914 -0.064 0.000 2.612 139 V HA 0.705 4.828 4.120 0.005 0.000 0.301 139 V C -1.264 174.664 176.094 -0.277 0.000 1.059 139 V CA -0.581 61.571 62.300 -0.246 0.000 0.886 139 V CB 2.117 33.652 31.823 -0.479 0.000 1.007 139 V HN 0.945 nan 8.190 nan 0.000 0.426 140 V N 5.082 124.834 119.914 -0.270 0.000 2.427 140 V HA 0.805 4.928 4.120 0.005 0.000 0.268 140 V C 0.943 176.801 176.094 -0.393 0.000 1.046 140 V CA 0.378 62.438 62.300 -0.399 0.000 0.970 140 V CB 0.366 32.005 31.823 -0.306 0.000 1.001 140 V HN 0.985 nan 8.190 nan 0.000 0.476 141 G N 3.047 111.558 108.800 -0.482 0.000 2.461 141 G HA2 0.649 4.612 3.960 0.005 0.000 0.329 141 G HA3 0.649 4.612 3.960 0.005 0.000 0.329 141 G C -1.093 173.659 174.900 -0.247 0.000 1.170 141 G CA -0.759 44.132 45.100 -0.348 0.000 0.935 141 G HN 0.716 nan 8.290 nan 0.000 0.492 142 V N 0.203 120.057 119.914 -0.101 0.000 2.638 142 V HA 0.624 4.747 4.120 0.005 0.000 0.306 142 V C -0.647 175.445 176.094 -0.004 0.000 1.052 142 V CA -0.485 61.775 62.300 -0.066 0.000 0.885 142 V CB 1.967 33.776 31.823 -0.024 0.000 0.999 142 V HN 0.588 nan 8.190 nan 0.000 0.424 143 V N 2.871 122.779 119.914 -0.009 0.000 2.888 143 V HA 0.513 4.636 4.120 0.005 0.000 0.309 143 V C -0.261 175.841 176.094 0.015 0.000 1.114 143 V CA -0.557 61.770 62.300 0.045 0.000 0.940 143 V CB 2.455 34.347 31.823 0.116 0.000 1.021 143 V HN 0.801 nan 8.190 nan 0.000 0.426 144 S N 1.482 117.196 115.700 0.023 0.000 2.457 144 S HA 0.299 4.772 4.470 0.005 0.000 0.289 144 S C 1.376 175.989 174.600 0.023 0.000 1.163 144 S CA 0.161 58.364 58.200 0.006 0.000 1.078 144 S CB 1.289 64.492 63.200 0.005 0.000 0.987 144 S HN 1.069 nan 8.310 nan 0.000 0.482 145 T N 2.272 116.834 114.554 0.014 0.000 2.652 145 T HA -0.086 4.267 4.350 0.005 0.000 0.267 145 T C 0.323 175.036 174.700 0.021 0.000 1.039 145 T CA 1.038 63.151 62.100 0.022 0.000 1.153 145 T CB -0.549 68.327 68.868 0.014 0.000 0.863 145 T HN 0.534 nan 8.240 nan 0.000 0.428 146 D N 1.190 121.599 120.400 0.015 0.000 2.313 146 D HA 0.459 5.102 4.640 0.005 0.000 0.247 146 D C 1.423 177.736 176.300 0.022 0.000 1.094 146 D CA 0.062 54.072 54.000 0.017 0.000 0.925 146 D CB 0.913 41.721 40.800 0.013 0.000 1.188 146 D HN 0.311 nan 8.370 nan 0.000 0.430 147 G N 0.711 109.525 108.800 0.024 0.000 2.615 147 G HA2 -0.205 3.758 3.960 0.005 0.000 0.213 147 G HA3 -0.205 3.758 3.960 0.005 0.000 0.213 147 G C 1.411 176.330 174.900 0.032 0.000 1.135 147 G CA 0.569 45.687 45.100 0.029 0.000 0.772 147 G HN 0.383 nan 8.290 nan 0.000 0.542 148 S N 0.489 116.205 115.700 0.028 0.000 2.452 148 S HA -0.190 4.283 4.470 0.005 0.000 0.253 148 S C 1.310 175.935 174.600 0.041 0.000 1.061 148 S CA 1.025 59.243 58.200 0.030 0.000 1.273 148 S CB -0.253 62.959 63.200 0.021 0.000 1.191 148 S HN 0.417 nan 8.310 nan 0.000 0.430 149 M N 0.855 120.477 119.600 0.037 0.000 2.274 149 M HA 0.291 4.774 4.480 0.005 0.000 0.344 149 M C 0.299 176.634 176.300 0.058 0.000 1.161 149 M CA -0.003 55.327 55.300 0.051 0.000 1.126 149 M CB 1.475 34.094 32.600 0.032 0.000 1.522 149 M HN 0.242 nan 8.290 nan 0.000 0.461 150 T N -0.094 114.507 114.554 0.078 0.000 2.938 150 T HA 0.248 4.602 4.350 0.005 0.000 0.285 150 T C 0.860 175.610 174.700 0.084 0.000 1.028 150 T CA -0.621 61.527 62.100 0.080 0.000 1.005 150 T CB 1.398 70.321 68.868 0.093 0.000 1.157 150 T HN 0.736 nan 8.240 nan 0.000 0.550 151 K N 1.263 121.711 120.400 0.080 0.000 2.097 151 K HA -0.206 4.117 4.320 0.005 0.000 0.214 151 K C 1.641 178.291 176.600 0.084 0.000 1.052 151 K CA 2.595 58.929 56.287 0.078 0.000 0.932 151 K CB -0.488 32.057 32.500 0.074 0.000 0.716 151 K HN 0.633 nan 8.250 nan 0.000 0.455 152 E N 0.383 120.649 120.200 0.110 0.000 2.107 152 E HA -0.075 4.278 4.350 0.005 0.000 0.191 152 E C 1.811 178.468 176.600 0.096 0.000 0.982 152 E CA 1.312 57.787 56.400 0.125 0.000 0.809 152 E CB -0.261 29.569 29.700 0.216 0.000 0.756 152 E HN 0.401 nan 8.360 nan 0.000 0.459 153 D N 0.439 120.920 120.400 0.136 0.000 2.092 153 D HA -0.151 4.493 4.640 0.005 0.000 0.193 153 D C 1.985 178.299 176.300 0.023 0.000 0.994 153 D CA 0.930 54.998 54.000 0.113 0.000 0.828 153 D CB -0.263 40.617 40.800 0.133 0.000 0.963 153 D HN 0.149 nan 8.370 nan 0.000 0.450 154 L N 0.363 121.611 121.223 0.042 0.000 1.994 154 L HA -0.172 4.171 4.340 0.005 0.000 0.208 154 L C 2.602 179.498 176.870 0.044 0.000 1.071 154 L CA 1.156 56.023 54.840 0.046 0.000 0.745 154 L CB -0.705 41.384 42.059 0.049 0.000 0.892 154 L HN 0.019 nan 8.230 nan 0.000 0.431 155 S N 0.304 116.017 115.700 0.021 0.000 2.381 155 S HA -0.322 4.152 4.470 0.005 0.000 0.230 155 S C 1.920 176.475 174.600 -0.074 0.000 1.052 155 S CA 2.270 60.468 58.200 -0.005 0.000 1.068 155 S CB -0.567 62.632 63.200 -0.002 0.000 0.918 155 S HN 0.531 nan 8.310 nan 0.000 0.448 156 N N -1.054 117.534 118.700 -0.187 0.000 2.166 156 N HA -0.187 4.556 4.740 0.005 0.000 0.186 156 N C 1.764 177.166 175.510 -0.180 0.000 1.019 156 N CA 1.529 54.377 53.050 -0.338 0.000 0.856 156 N CB -0.418 37.524 38.487 -0.909 0.000 0.993 156 N HN 0.616 nan 8.380 nan 0.000 0.426 157 Y N 2.442 122.638 120.300 -0.175 0.000 2.034 157 Y HA -0.245 4.308 4.550 0.006 0.000 0.269 157 Y C 2.531 178.373 175.900 -0.096 0.000 1.125 157 Y CA 1.895 59.931 58.100 -0.106 0.000 1.097 157 Y CB -0.670 37.751 38.460 -0.066 0.000 0.978 157 Y HN -0.024 nan 8.280 nan 0.000 0.480 158 I N -0.424 120.172 120.570 0.043 0.000 2.203 158 I HA -0.451 3.722 4.170 0.005 0.000 0.237 158 I C 2.282 178.297 176.117 -0.170 0.000 0.993 158 I CA 2.361 63.628 61.300 -0.055 0.000 1.277 158 I CB -1.782 36.208 38.000 -0.016 0.000 0.984 158 I HN 0.237 nan 8.210 nan 0.000 0.402 159 V N 1.244 121.076 119.914 -0.137 0.000 2.358 159 V HA -0.204 3.920 4.120 0.005 0.000 0.246 159 V C 2.530 178.526 176.094 -0.164 0.000 1.047 159 V CA 2.181 64.408 62.300 -0.122 0.000 1.035 159 V CB -0.784 30.989 31.823 -0.082 0.000 0.658 159 V HN 0.630 nan 8.190 nan 0.000 0.452 160 S N -0.840 114.735 115.700 -0.208 0.000 2.562 160 S HA 0.035 4.508 4.470 0.005 0.000 0.221 160 S C 1.384 175.819 174.600 -0.275 0.000 0.975 160 S CA 0.670 58.745 58.200 -0.207 0.000 0.918 160 S CB -0.108 62.981 63.200 -0.185 0.000 0.772 160 S HN 0.632 nan 8.310 nan 0.000 0.531 161 N N 1.050 119.516 118.700 -0.390 0.000 2.631 161 N HA 0.288 5.031 4.740 0.005 0.000 0.255 161 N C 1.471 176.767 175.510 -0.356 0.000 1.037 161 N CA 1.012 53.770 53.050 -0.485 0.000 0.919 161 N CB 0.203 38.073 38.487 -1.028 0.000 1.708 161 N HN 0.559 nan 8.380 nan 0.000 0.530 162 I N -0.869 119.501 120.570 -0.333 0.000 4.070 162 I HA 0.186 4.359 4.170 0.005 0.000 0.328 162 I C 2.136 178.129 176.117 -0.206 0.000 1.298 162 I CA 0.265 61.447 61.300 -0.197 0.000 1.173 162 I CB 0.275 38.212 38.000 -0.104 0.000 1.051 162 I HN -0.030 nan 8.210 nan 0.000 0.409 163 Q N 2.207 121.868 119.800 -0.232 0.000 1.967 163 Q HA -0.258 4.085 4.340 0.005 0.000 0.202 163 Q C 1.466 177.240 176.000 -0.376 0.000 0.985 163 Q CA 2.964 58.590 55.803 -0.296 0.000 0.839 163 Q CB -0.098 28.511 28.738 -0.215 0.000 0.906 163 Q HN 0.600 nan 8.270 nan 0.000 0.423 164 D N 0.495 120.732 120.400 -0.272 0.000 2.117 164 D HA -0.113 4.530 4.640 0.005 0.000 0.197 164 D C -1.035 175.138 176.300 -0.211 0.000 0.987 164 D CA 1.446 55.301 54.000 -0.241 0.000 0.829 164 D CB -1.062 39.645 40.800 -0.155 0.000 0.961 164 D HN 0.366 nan 8.370 nan 0.000 0.460 165 P HA -0.162 nan 4.420 nan 0.000 0.215 165 P C 1.386 178.596 177.300 -0.150 0.000 1.163 165 P CA 0.783 63.803 63.100 -0.133 0.000 0.894 165 P CB 0.086 31.722 31.700 -0.106 0.000 0.791 166 L N -0.092 121.015 121.223 -0.193 0.000 2.042 166 L HA -0.152 4.191 4.340 0.005 0.000 0.210 166 L C 2.285 179.006 176.870 -0.248 0.000 1.076 166 L CA 2.588 57.307 54.840 -0.202 0.000 0.749 166 L CB -2.186 39.731 42.059 -0.236 0.000 0.893 166 L HN 0.121 nan 8.230 nan 0.000 0.432 167 S N -1.473 113.993 115.700 -0.389 0.000 2.555 167 S HA -0.074 4.399 4.470 0.005 0.000 0.230 167 S C 1.751 176.255 174.600 -0.161 0.000 0.978 167 S CA 0.388 58.356 58.200 -0.387 0.000 0.934 167 S CB -0.164 62.649 63.200 -0.644 0.000 0.766 167 S HN 0.442 nan 8.310 nan 0.000 0.533 168 R N 0.304 120.724 120.500 -0.133 0.000 2.476 168 R HA 0.219 4.562 4.340 0.005 0.000 0.276 168 R C -0.342 175.924 176.300 -0.056 0.000 0.941 168 R CA -0.023 56.032 56.100 -0.075 0.000 1.088 168 R CB 0.551 30.808 30.300 -0.071 0.000 1.216 168 R HN 0.263 nan 8.270 nan 0.000 0.533 169 T N 1.928 116.444 114.554 -0.064 0.000 2.901 169 T HA 0.018 4.371 4.350 0.005 0.000 0.301 169 T C 0.076 174.763 174.700 -0.022 0.000 1.012 169 T CA 0.085 62.160 62.100 -0.041 0.000 1.135 169 T CB 0.955 69.797 68.868 -0.043 0.000 0.936 169 T HN -0.084 nan 8.240 nan 0.000 0.539 170 K N 2.003 122.395 120.400 -0.013 0.000 2.472 170 K HA 0.298 4.622 4.320 0.005 0.000 0.280 170 K C 1.294 177.897 176.600 0.004 0.000 1.028 170 K CA 1.191 57.476 56.287 -0.004 0.000 1.045 170 K CB -0.513 31.985 32.500 -0.003 0.000 0.902 170 K HN 0.777 nan 8.250 nan 0.000 0.478 171 G N 2.031 110.838 108.800 0.011 0.000 2.279 171 G HA2 -0.261 3.702 3.960 0.005 0.000 0.223 171 G HA3 -0.261 3.702 3.960 0.005 0.000 0.223 171 G C -0.074 174.847 174.900 0.035 0.000 1.015 171 G CA -0.112 45.001 45.100 0.022 0.000 0.621 171 G HN 1.132 nan 8.290 nan 0.000 0.506 172 V N 1.080 121.014 119.914 0.032 0.000 2.488 172 V HA 0.764 4.887 4.120 0.005 0.000 0.277 172 V C 1.106 177.243 176.094 0.072 0.000 1.046 172 V CA 1.180 63.514 62.300 0.056 0.000 0.986 172 V CB 1.293 33.138 31.823 0.037 0.000 0.989 172 V HN 1.140 nan 8.190 nan 0.000 0.475 173 G N 3.952 112.811 108.800 0.097 0.000 2.944 173 G HA2 0.337 4.300 3.960 0.005 0.000 0.220 173 G HA3 0.337 4.300 3.960 0.005 0.000 0.220 173 G C -0.066 174.911 174.900 0.129 0.000 1.100 173 G CA 0.533 45.688 45.100 0.093 0.000 0.780 173 G HN 0.797 nan 8.290 nan 0.000 0.539 174 D N -1.083 119.426 120.400 0.181 0.000 2.653 174 D HA 0.533 5.176 4.640 0.005 0.000 0.258 174 D C -1.593 174.887 176.300 0.301 0.000 1.252 174 D CA -0.688 53.428 54.000 0.193 0.000 0.777 174 D CB 1.738 42.586 40.800 0.080 0.000 1.339 174 D HN 0.066 nan 8.370 nan 0.000 0.422 175 F N -0.329 119.632 119.950 0.019 0.000 2.665 175 F HA 0.584 5.114 4.527 0.005 0.000 0.308 175 F C -1.630 174.125 175.800 -0.076 0.000 1.112 175 F CA -0.891 57.092 58.000 -0.029 0.000 0.972 175 F CB 1.553 40.510 39.000 -0.073 0.000 1.295 175 F HN 0.216 nan 8.300 nan 0.000 0.440 176 Q N 3.179 122.885 119.800 -0.157 0.000 2.292 176 Q HA 0.642 4.985 4.340 0.005 0.000 0.270 176 Q C -2.243 173.437 176.000 -0.534 0.000 1.024 176 Q CA -0.989 54.600 55.803 -0.358 0.000 0.768 176 Q CB 2.835 31.384 28.738 -0.316 0.000 1.250 176 Q HN 0.974 nan 8.270 nan 0.000 0.447 177 V N 5.121 124.811 119.914 -0.373 0.000 2.509 177 V HA 0.432 4.555 4.120 0.005 0.000 0.284 177 V C -1.047 174.833 176.094 -0.357 0.000 1.047 177 V CA -0.341 61.752 62.300 -0.346 0.000 0.952 177 V CB 0.691 32.454 31.823 -0.101 0.000 0.988 177 V HN 0.786 nan 8.190 nan 0.000 0.469 178 F N 6.708 126.648 119.950 -0.017 0.000 2.509 178 F HA 0.789 5.320 4.527 0.006 0.000 0.344 178 F C 0.932 176.744 175.800 0.021 0.000 1.197 178 F CA 0.082 58.092 58.000 0.016 0.000 1.294 178 F CB 0.203 39.273 39.000 0.117 0.000 1.643 178 F HN 0.865 nan 8.300 nan 0.000 0.596 179 G N -0.139 108.737 108.800 0.127 0.000 2.350 179 G HA2 0.355 4.318 3.960 0.005 0.000 0.282 179 G HA3 0.355 4.318 3.960 0.005 0.000 0.282 179 G C -1.390 173.509 174.900 -0.001 0.000 1.314 179 G CA -0.885 44.251 45.100 0.060 0.000 0.915 179 G HN 0.252 nan 8.290 nan 0.000 0.499 180 S N -0.355 115.324 115.700 -0.035 0.000 2.667 180 S HA 0.710 5.183 4.470 0.005 0.000 0.292 180 S C -0.380 174.178 174.600 -0.070 0.000 1.126 180 S CA -0.636 57.534 58.200 -0.051 0.000 0.881 180 S CB 1.889 65.039 63.200 -0.084 0.000 1.132 180 S HN 0.995 nan 8.310 nan 0.000 0.492 181 Q N 0.556 120.324 119.800 -0.054 0.000 2.199 181 Q HA 0.330 4.673 4.340 0.005 0.000 0.232 181 Q C -0.929 175.082 176.000 0.018 0.000 0.969 181 Q CA -0.268 55.477 55.803 -0.097 0.000 0.925 181 Q CB 0.083 28.776 28.738 -0.075 0.000 1.198 181 Q HN 0.626 nan 8.270 nan 0.000 0.494 182 Y N 0.817 121.147 120.300 0.051 0.000 2.379 182 Y HA 0.179 4.732 4.550 0.005 0.000 0.354 182 Y C 0.849 176.851 175.900 0.170 0.000 1.269 182 Y CA 0.503 58.659 58.100 0.094 0.000 1.532 182 Y CB 0.387 38.925 38.460 0.129 0.000 1.371 182 Y HN 0.823 nan 8.280 nan 0.000 0.666 183 S N 0.033 115.973 115.700 0.401 0.000 2.587 183 S HA 0.483 4.957 4.470 0.005 0.000 0.269 183 S C -1.220 173.386 174.600 0.011 0.000 1.154 183 S CA -1.211 57.221 58.200 0.387 0.000 0.824 183 S CB 1.388 64.801 63.200 0.355 0.000 1.118 183 S HN 0.371 nan 8.310 nan 0.000 0.462 184 M N 2.549 121.854 119.600 -0.492 0.000 2.194 184 M HA 0.474 4.957 4.480 0.005 0.000 0.347 184 M C -0.453 175.501 176.300 -0.576 0.000 1.439 184 M CA -0.586 54.152 55.300 -0.937 0.000 1.131 184 M CB -0.205 31.271 32.600 -1.874 0.000 1.733 184 M HN 0.574 nan 8.290 nan 0.000 0.467 185 R N 4.580 124.790 120.500 -0.483 0.000 2.229 185 R HA 0.440 4.783 4.340 0.005 0.000 0.332 185 R C -1.125 174.767 176.300 -0.680 0.000 0.989 185 R CA -0.587 55.168 56.100 -0.575 0.000 0.842 185 R CB 0.272 30.273 30.300 -0.499 0.000 1.119 185 R HN 0.534 nan 8.270 nan 0.000 0.456 186 I N 3.783 123.958 120.570 -0.658 0.000 2.371 186 I HA 0.225 4.398 4.170 0.005 0.000 0.282 186 I C -0.430 175.461 176.117 -0.377 0.000 1.031 186 I CA -0.838 60.214 61.300 -0.413 0.000 1.180 186 I CB 0.585 38.444 38.000 -0.234 0.000 1.336 186 I HN 0.413 nan 8.210 nan 0.000 0.467 187 W N 7.593 128.892 121.300 -0.002 0.000 2.226 187 W HA 0.431 5.094 4.660 0.005 0.000 0.379 187 W C 0.027 176.564 176.519 0.030 0.000 0.923 187 W CA -0.699 56.656 57.345 0.015 0.000 1.524 187 W CB 0.278 29.737 29.460 -0.001 0.000 1.552 187 W HN 0.240 nan 8.180 nan 0.000 0.337 188 L N 2.520 123.908 121.223 0.275 0.000 2.483 188 L HA 0.071 4.414 4.340 0.005 0.000 0.275 188 L C 0.103 177.090 176.870 0.195 0.000 1.220 188 L CA 0.677 55.649 54.840 0.220 0.000 0.833 188 L CB 0.410 42.632 42.059 0.270 0.000 1.102 188 L HN 0.277 nan 8.230 nan 0.000 0.490 189 D N 1.421 121.844 120.400 0.039 0.000 2.479 189 D HA 0.283 4.926 4.640 0.005 0.000 0.246 189 D C -1.992 174.156 176.300 -0.253 0.000 1.336 189 D CA -1.279 52.653 54.000 -0.115 0.000 0.967 189 D CB 1.847 42.616 40.800 -0.052 0.000 1.275 189 D HN 0.072 nan 8.370 nan 0.000 0.577 190 P HA 0.002 nan 4.420 nan 0.000 0.223 190 P C 0.955 178.113 177.300 -0.237 0.000 1.151 190 P CA 0.344 63.132 63.100 -0.520 0.000 0.787 190 P CB 0.166 31.238 31.700 -1.048 0.000 0.788 191 A N -0.443 122.248 122.820 -0.215 0.000 2.259 191 A HA -0.115 4.208 4.320 0.005 0.000 0.212 191 A C 1.776 179.329 177.584 -0.052 0.000 1.178 191 A CA 1.244 53.215 52.037 -0.111 0.000 0.734 191 A CB -0.668 18.275 19.000 -0.095 0.000 0.774 191 A HN 0.154 nan 8.150 nan 0.000 0.481 192 K N -1.624 118.753 120.400 -0.038 0.000 2.606 192 K HA 0.237 4.560 4.320 0.005 0.000 0.199 192 K C 1.464 178.122 176.600 0.096 0.000 1.403 192 K CA -0.090 56.236 56.287 0.066 0.000 1.011 192 K CB -0.523 31.987 32.500 0.018 0.000 1.623 192 K HN 0.259 nan 8.250 nan 0.000 0.512 193 L N 2.678 123.905 121.223 0.007 0.000 2.034 193 L HA -0.278 4.065 4.340 0.005 0.000 0.217 193 L C 2.242 179.145 176.870 0.055 0.000 1.077 193 L CA 1.919 56.780 54.840 0.036 0.000 0.769 193 L CB -1.330 40.758 42.059 0.049 0.000 0.890 193 L HN 0.485 nan 8.230 nan 0.000 0.435 194 N N -0.442 118.241 118.700 -0.028 0.000 2.025 194 N HA -0.203 4.540 4.740 0.005 0.000 0.194 194 N C 1.955 177.405 175.510 -0.100 0.000 1.044 194 N CA 1.994 54.942 53.050 -0.169 0.000 0.851 194 N CB 0.178 38.419 38.487 -0.410 0.000 1.036 194 N HN 0.367 nan 8.380 nan 0.000 0.422 195 S N 0.523 116.198 115.700 -0.040 0.000 2.404 195 S HA -0.245 4.228 4.470 0.005 0.000 0.230 195 S C 1.539 176.095 174.600 -0.073 0.000 1.046 195 S CA 1.634 59.784 58.200 -0.084 0.000 1.135 195 S CB -1.437 61.691 63.200 -0.121 0.000 1.056 195 S HN 0.513 nan 8.310 nan 0.000 0.426 196 Y N 3.569 123.836 120.300 -0.055 0.000 2.488 196 Y HA 0.139 4.692 4.550 0.005 0.000 0.319 196 Y C 0.562 176.445 175.900 -0.028 0.000 1.212 196 Y CA -0.028 58.052 58.100 -0.034 0.000 1.273 196 Y CB -1.412 37.035 38.460 -0.021 0.000 1.074 196 Y HN 0.385 nan 8.280 nan 0.000 0.503 197 Q N -0.253 119.599 119.800 0.086 0.000 2.439 197 Q HA -0.215 4.129 4.340 0.005 0.000 0.361 197 Q C -1.162 174.885 176.000 0.078 0.000 1.408 197 Q CA 0.398 56.229 55.803 0.047 0.000 1.052 197 Q CB -2.130 26.620 28.738 0.021 0.000 1.233 197 Q HN 0.598 nan 8.270 nan 0.000 0.347 198 L N 0.705 121.983 121.223 0.091 0.000 2.371 198 L HA 0.734 5.077 4.340 0.005 0.000 0.262 198 L C 0.317 177.253 176.870 0.110 0.000 1.006 198 L CA -0.615 54.277 54.840 0.087 0.000 0.818 198 L CB 2.358 44.456 42.059 0.065 0.000 1.354 198 L HN 0.463 nan 8.230 nan 0.000 0.415 199 T N -2.373 112.246 114.554 0.108 0.000 2.908 199 T HA 0.452 4.805 4.350 0.005 0.000 0.290 199 T C -2.347 172.423 174.700 0.116 0.000 1.034 199 T CA -2.026 60.160 62.100 0.142 0.000 1.010 199 T CB 2.106 71.054 68.868 0.133 0.000 1.068 199 T HN 0.222 nan 8.240 nan 0.000 0.481 200 P HA -0.059 nan 4.420 nan 0.000 0.216 200 P C 1.869 179.199 177.300 0.050 0.000 1.153 200 P CA 1.622 64.774 63.100 0.086 0.000 0.858 200 P CB -0.406 31.326 31.700 0.052 0.000 0.789 201 G N -0.026 108.806 108.800 0.053 0.000 2.505 201 G HA2 -0.299 3.665 3.960 0.005 0.000 0.220 201 G HA3 -0.299 3.665 3.960 0.005 0.000 0.220 201 G C 1.313 176.231 174.900 0.030 0.000 1.145 201 G CA 1.222 46.345 45.100 0.038 0.000 0.761 201 G HN 0.198 nan 8.290 nan 0.000 0.571 202 D N 0.139 120.562 120.400 0.038 0.000 2.144 202 D HA -0.073 4.570 4.640 0.005 0.000 0.199 202 D C 2.724 179.033 176.300 0.015 0.000 0.984 202 D CA 0.869 54.886 54.000 0.027 0.000 0.834 202 D CB -0.337 40.483 40.800 0.034 0.000 0.955 202 D HN 0.250 nan 8.370 nan 0.000 0.465 203 V N 1.049 120.974 119.914 0.018 0.000 2.259 203 V HA -0.275 3.848 4.120 0.005 0.000 0.229 203 V C 2.377 178.469 176.094 -0.003 0.000 1.012 203 V CA 1.820 64.124 62.300 0.005 0.000 0.995 203 V CB -1.300 30.530 31.823 0.011 0.000 0.645 203 V HN 0.262 nan 8.190 nan 0.000 0.468 204 S N 1.400 117.096 115.700 -0.007 0.000 2.456 204 S HA -0.449 4.024 4.470 0.005 0.000 0.359 204 S C 2.110 176.697 174.600 -0.022 0.000 1.227 204 S CA 4.180 62.368 58.200 -0.020 0.000 1.598 204 S CB -1.433 61.758 63.200 -0.015 0.000 1.444 204 S HN 1.095 nan 8.310 nan 0.000 0.483 205 S N 2.452 118.144 115.700 -0.013 0.000 2.413 205 S HA -0.128 4.345 4.470 0.005 0.000 0.237 205 S C 2.067 176.656 174.600 -0.019 0.000 1.044 205 S CA 2.035 60.226 58.200 -0.014 0.000 1.024 205 S CB -1.424 61.773 63.200 -0.005 0.000 0.829 205 S HN 1.177 nan 8.310 nan 0.000 0.475 206 A N 2.943 125.752 122.820 -0.017 0.000 1.841 206 A HA 0.080 4.404 4.320 0.005 0.000 0.214 206 A C 2.304 179.869 177.584 -0.031 0.000 1.195 206 A CA 1.453 53.476 52.037 -0.023 0.000 0.611 206 A CB -0.789 18.198 19.000 -0.021 0.000 0.835 206 A HN 0.534 nan 8.150 nan 0.000 0.443 207 I N -0.023 120.534 120.570 -0.023 0.000 2.194 207 I HA -0.331 3.842 4.170 0.005 0.000 0.246 207 I C 2.305 178.401 176.117 -0.034 0.000 1.093 207 I CA 1.771 63.062 61.300 -0.016 0.000 1.355 207 I CB -1.879 36.128 38.000 0.010 0.000 1.046 207 I HN 0.483 nan 8.210 nan 0.000 0.413 208 Q N 0.570 120.346 119.800 -0.040 0.000 2.439 208 Q HA -0.047 4.296 4.340 0.005 0.000 0.211 208 Q C 1.998 177.973 176.000 -0.041 0.000 0.978 208 Q CA 1.465 57.241 55.803 -0.046 0.000 0.897 208 Q CB -0.047 28.664 28.738 -0.045 0.000 0.956 208 Q HN 0.665 nan 8.270 nan 0.000 0.483 209 A N -0.495 122.300 122.820 -0.041 0.000 2.287 209 A HA 0.089 4.412 4.320 0.005 0.000 0.214 209 A C 1.483 179.035 177.584 -0.052 0.000 1.228 209 A CA -0.100 51.913 52.037 -0.040 0.000 0.939 209 A CB 0.557 19.538 19.000 -0.032 0.000 0.992 209 A HN 0.144 nan 8.150 nan 0.000 0.502 210 Q N -0.965 118.794 119.800 -0.068 0.000 2.280 210 Q HA 0.108 4.451 4.340 0.005 0.000 0.228 210 Q C 0.043 175.957 176.000 -0.143 0.000 0.857 210 Q CA 0.058 55.803 55.803 -0.097 0.000 0.939 210 Q CB 0.382 29.059 28.738 -0.101 0.000 1.114 210 Q HN 0.452 nan 8.270 nan 0.000 0.514 211 N N 0.802 119.424 118.700 -0.130 0.000 2.908 211 N HA 0.166 4.909 4.740 0.005 0.000 0.316 211 N C -1.637 173.835 175.510 -0.064 0.000 1.619 211 N CA -0.018 52.941 53.050 -0.150 0.000 1.045 211 N CB 0.651 39.051 38.487 -0.145 0.000 1.357 211 N HN -0.187 nan 8.380 nan 0.000 0.501 212 V N 1.185 121.062 119.914 -0.061 0.000 2.581 212 V HA 0.387 4.510 4.120 0.005 0.000 0.303 212 V C -0.129 175.947 176.094 -0.030 0.000 1.041 212 V CA -0.827 61.451 62.300 -0.037 0.000 0.907 212 V CB 1.852 33.653 31.823 -0.038 0.000 0.994 212 V HN 0.289 nan 8.190 nan 0.000 0.442 213 Q N 3.257 123.047 119.800 -0.018 0.000 2.360 213 Q HA 0.550 4.893 4.340 0.005 0.000 0.254 213 Q C -1.121 174.869 176.000 -0.016 0.000 0.975 213 Q CA 0.020 55.813 55.803 -0.015 0.000 0.912 213 Q CB 1.211 29.945 28.738 -0.008 0.000 1.212 213 Q HN 0.657 nan 8.270 nan 0.000 0.452 214 I N 2.192 122.751 120.570 -0.018 0.000 2.460 214 I HA 0.331 4.505 4.170 0.005 0.000 0.298 214 I C -0.514 175.595 176.117 -0.014 0.000 0.989 214 I CA -0.108 61.182 61.300 -0.017 0.000 1.173 214 I CB 2.071 40.059 38.000 -0.020 0.000 1.338 214 I HN 0.609 nan 8.210 nan 0.000 0.456 215 S N 4.526 120.218 115.700 -0.013 0.000 2.498 215 S HA 0.144 4.617 4.470 0.005 0.000 0.314 215 S C 1.026 175.619 174.600 -0.011 0.000 1.141 215 S CA 0.209 58.402 58.200 -0.011 0.000 1.087 215 S CB -0.250 62.944 63.200 -0.010 0.000 1.178 215 S HN 0.758 nan 8.310 nan 0.000 0.533 216 S N 4.934 120.627 115.700 -0.011 0.000 2.294 216 S HA 0.672 5.145 4.470 0.005 0.000 0.203 216 S C 1.203 175.797 174.600 -0.010 0.000 1.022 216 S CA 0.242 58.435 58.200 -0.011 0.000 0.955 216 S CB -1.002 62.191 63.200 -0.012 0.000 0.943 216 S HN 1.374 nan 8.310 nan 0.000 0.472 217 G N 0.508 109.302 108.800 -0.009 0.000 2.339 217 G HA2 0.417 4.380 3.960 0.005 0.000 0.275 217 G HA3 0.417 4.380 3.960 0.005 0.000 0.275 217 G C -2.244 172.651 174.900 -0.008 0.000 1.323 217 G CA -0.350 44.745 45.100 -0.008 0.000 0.927 217 G HN 0.864 nan 8.290 nan 0.000 0.486 218 Q N -0.929 118.866 119.800 -0.007 0.000 2.416 218 Q HA 0.679 5.022 4.340 0.005 0.000 0.281 218 Q C 0.151 176.147 176.000 -0.006 0.000 1.067 218 Q CA -1.039 54.760 55.803 -0.007 0.000 0.809 218 Q CB 1.987 30.721 28.738 -0.007 0.000 1.418 218 Q HN 0.456 nan 8.270 nan 0.000 0.411 219 L N 0.839 122.058 121.223 -0.006 0.000 2.056 219 L HA 0.017 4.360 4.340 0.005 0.000 0.207 219 L C 1.848 178.715 176.870 -0.005 0.000 1.078 219 L CA 1.554 56.391 54.840 -0.006 0.000 0.749 219 L CB -0.390 41.666 42.059 -0.005 0.000 0.901 219 L HN 1.034 nan 8.230 nan 0.000 0.433 220 G N 0.287 109.084 108.800 -0.005 0.000 3.135 220 G HA2 0.084 4.047 3.960 0.005 0.000 0.208 220 G HA3 0.084 4.047 3.960 0.005 0.000 0.208 220 G C 0.882 175.779 174.900 -0.005 0.000 1.212 220 G CA 0.143 45.240 45.100 -0.005 0.000 0.928 220 G HN 0.405 nan 8.290 nan 0.000 0.500 221 G N 0.267 109.064 108.800 -0.005 0.000 2.487 221 G HA2 0.035 3.998 3.960 0.005 0.000 0.265 221 G HA3 0.035 3.998 3.960 0.005 0.000 0.265 221 G C 0.047 174.944 174.900 -0.005 0.000 0.661 221 G CA -0.165 44.932 45.100 -0.005 0.000 1.031 221 G HN 0.232 nan 8.290 nan 0.000 0.296 222 L N 5.147 126.367 121.223 -0.005 0.000 2.309 222 L HA 0.395 4.739 4.340 0.005 0.000 0.282 222 L C -1.125 175.743 176.870 -0.004 0.000 1.036 222 L CA -1.377 53.460 54.840 -0.004 0.000 0.806 222 L CB 1.298 43.354 42.059 -0.004 0.000 1.220 222 L HN 0.544 nan 8.230 nan 0.000 0.429 223 P HA 0.326 nan 4.420 nan 0.000 0.271 223 P C -0.641 176.656 177.300 -0.004 0.000 1.216 223 P CA -0.378 62.720 63.100 -0.004 0.000 0.776 223 P CB 1.352 33.050 31.700 -0.003 0.000 0.881 224 A N 2.316 125.134 122.820 -0.004 0.000 2.247 224 A HA 0.511 4.834 4.320 0.005 0.000 0.313 224 A C -0.329 177.253 177.584 -0.003 0.000 1.109 224 A CA -0.718 51.317 52.037 -0.004 0.000 0.890 224 A CB 0.838 19.835 19.000 -0.004 0.000 1.239 224 A HN 0.480 nan 8.150 nan 0.000 0.506 225 V N 0.097 120.009 119.914 -0.003 0.000 2.539 225 V HA 0.420 4.544 4.120 0.005 0.000 0.292 225 V C -0.371 175.722 176.094 -0.003 0.000 1.045 225 V CA -0.843 61.455 62.300 -0.003 0.000 0.945 225 V CB 1.121 32.942 31.823 -0.003 0.000 0.993 225 V HN 0.844 nan 8.190 nan 0.000 0.464 226 K N 4.618 125.017 120.400 -0.003 0.000 2.511 226 K HA 0.430 4.753 4.320 0.005 0.000 0.280 226 K C 1.086 177.685 176.600 -0.003 0.000 1.008 226 K CA 1.098 57.384 56.287 -0.003 0.000 1.050 226 K CB -0.011 32.488 32.500 -0.002 0.000 0.889 226 K HN 1.194 nan 8.250 nan 0.000 0.484 227 G N 1.280 110.078 108.800 -0.003 0.000 2.284 227 G HA2 -0.338 3.625 3.960 0.005 0.000 0.230 227 G HA3 -0.338 3.625 3.960 0.005 0.000 0.230 227 G C 0.082 174.981 174.900 -0.003 0.000 1.021 227 G CA 0.111 45.210 45.100 -0.002 0.000 0.619 227 G HN 0.624 nan 8.290 nan 0.000 0.510 228 Q N 1.245 121.043 119.800 -0.003 0.000 2.368 228 Q HA 0.347 4.691 4.340 0.005 0.000 0.331 228 Q C 0.761 176.759 176.000 -0.003 0.000 1.086 228 Q CA 1.464 57.265 55.803 -0.003 0.000 1.031 228 Q CB 0.188 28.924 28.738 -0.003 0.000 1.125 228 Q HN 0.605 nan 8.270 nan 0.000 0.389 229 Q N 3.586 123.384 119.800 -0.003 0.000 2.063 229 Q HA 0.257 4.600 4.340 0.005 0.000 0.245 229 Q C -1.209 174.789 176.000 -0.003 0.000 0.828 229 Q CA -0.270 55.531 55.803 -0.003 0.000 1.089 229 Q CB 0.749 29.486 28.738 -0.003 0.000 1.232 229 Q HN 0.554 nan 8.270 nan 0.000 0.445 230 L N 1.108 122.329 121.223 -0.004 0.000 2.457 230 L HA 0.542 4.886 4.340 0.005 0.000 0.266 230 L C -1.695 175.173 176.870 -0.004 0.000 0.979 230 L CA -0.350 54.487 54.840 -0.004 0.000 0.857 230 L CB 1.420 43.477 42.059 -0.004 0.000 1.213 230 L HN -0.048 nan 8.230 nan 0.000 0.418 231 N N 4.406 123.103 118.700 -0.004 0.000 2.354 231 N HA 0.897 5.640 4.740 0.005 0.000 0.287 231 N C -1.537 173.970 175.510 -0.005 0.000 1.016 231 N CA 0.175 53.222 53.050 -0.005 0.000 0.871 231 N CB 2.164 40.649 38.487 -0.005 0.000 1.299 231 N HN 0.840 nan 8.380 nan 0.000 0.482 232 A N 1.702 124.518 122.820 -0.005 0.000 2.566 232 A HA 0.481 4.804 4.320 0.005 0.000 0.297 232 A C -0.648 176.933 177.584 -0.006 0.000 1.059 232 A CA -0.811 51.222 52.037 -0.006 0.000 0.691 232 A CB 0.965 19.962 19.000 -0.006 0.000 1.282 232 A HN 0.577 nan 8.150 nan 0.000 0.401 233 T N 2.759 117.309 114.554 -0.007 0.000 2.834 233 T HA 0.457 4.811 4.350 0.005 0.000 0.298 233 T C 0.330 175.025 174.700 -0.008 0.000 0.966 233 T CA -0.123 61.973 62.100 -0.008 0.000 1.141 233 T CB -0.849 68.014 68.868 -0.008 0.000 0.905 233 T HN 0.965 nan 8.240 nan 0.000 0.535 234 I N 5.454 126.019 120.570 -0.008 0.000 2.342 234 I HA 0.463 4.636 4.170 0.005 0.000 0.291 234 I C 0.057 176.168 176.117 -0.010 0.000 1.010 234 I CA -1.114 60.181 61.300 -0.009 0.000 1.308 234 I CB 1.025 39.020 38.000 -0.009 0.000 1.400 234 I HN 0.504 nan 8.210 nan 0.000 0.488 235 I N 4.181 124.745 120.570 -0.011 0.000 2.330 235 I HA 0.539 4.713 4.170 0.005 0.000 0.286 235 I C 0.658 176.766 176.117 -0.014 0.000 1.025 235 I CA -0.209 61.084 61.300 -0.012 0.000 1.197 235 I CB 0.367 38.360 38.000 -0.012 0.000 1.358 235 I HN 0.801 nan 8.210 nan 0.000 0.467 236 G N 6.937 115.728 108.800 -0.015 0.000 2.597 236 G HA2 0.084 4.047 3.960 0.005 0.000 0.194 236 G HA3 0.084 4.047 3.960 0.005 0.000 0.194 236 G C 0.116 175.003 174.900 -0.022 0.000 1.625 236 G CA -0.582 44.508 45.100 -0.018 0.000 1.050 236 G HN 0.697 nan 8.290 nan 0.000 0.531 237 K N 0.837 121.222 120.400 -0.026 0.000 2.368 237 K HA 0.349 4.672 4.320 0.005 0.000 0.282 237 K C -0.149 176.432 176.600 -0.031 0.000 1.035 237 K CA 0.264 56.531 56.287 -0.033 0.000 0.973 237 K CB 0.790 33.266 32.500 -0.039 0.000 0.957 237 K HN 0.550 nan 8.250 nan 0.000 0.474 238 T N 0.585 115.120 114.554 -0.033 0.000 2.841 238 T HA 0.352 4.705 4.350 0.005 0.000 0.283 238 T C 0.080 174.760 174.700 -0.032 0.000 1.000 238 T CA -1.281 60.804 62.100 -0.025 0.000 0.977 238 T CB 1.067 69.925 68.868 -0.017 0.000 0.979 238 T HN 0.639 nan 8.240 nan 0.000 0.446 239 R N 2.565 123.054 120.500 -0.018 0.000 2.905 239 R HA 0.412 4.756 4.340 0.005 0.000 0.273 239 R C -0.127 176.170 176.300 -0.005 0.000 1.033 239 R CA -0.647 55.443 56.100 -0.017 0.000 1.182 239 R CB -0.082 30.244 30.300 0.043 0.000 1.097 239 R HN 0.632 nan 8.270 nan 0.000 0.504 240 L N -0.020 121.182 121.223 -0.035 0.000 2.375 240 L HA 0.256 4.599 4.340 0.005 0.000 0.268 240 L C 0.926 177.977 176.870 0.300 0.000 1.058 240 L CA -0.683 54.130 54.840 -0.046 0.000 0.803 240 L CB 1.219 42.946 42.059 -0.553 0.000 1.212 240 L HN 0.667 nan 8.230 nan 0.000 0.451 241 Q N -0.400 119.568 119.800 0.281 0.000 2.581 241 Q HA 0.114 4.458 4.340 0.005 0.000 0.222 241 Q C 0.520 176.762 176.000 0.404 0.000 0.904 241 Q CA 0.404 56.437 55.803 0.384 0.000 0.923 241 Q CB 0.856 29.713 28.738 0.199 0.000 1.117 241 Q HN 0.734 nan 8.270 nan 0.000 0.618 242 T N -1.149 113.564 114.554 0.264 0.000 2.918 242 T HA 0.499 4.852 4.350 0.005 0.000 0.283 242 T C 0.915 175.764 174.700 0.248 0.000 1.001 242 T CA 0.234 62.454 62.100 0.201 0.000 1.041 242 T CB 1.293 70.232 68.868 0.117 0.000 1.028 242 T HN 0.267 nan 8.240 nan 0.000 0.511 243 A N 2.524 125.428 122.820 0.141 0.000 1.933 243 A HA -0.023 4.300 4.320 0.005 0.000 0.218 243 A C 2.034 179.698 177.584 0.133 0.000 1.175 243 A CA 1.767 53.873 52.037 0.116 0.000 0.628 243 A CB -0.791 18.223 19.000 0.023 0.000 0.814 243 A HN 0.864 nan 8.150 nan 0.000 0.444 244 E N 0.265 120.517 120.200 0.086 0.000 2.097 244 E HA -0.237 4.116 4.350 0.005 0.000 0.196 244 E C 2.166 178.788 176.600 0.037 0.000 1.000 244 E CA 1.829 58.261 56.400 0.053 0.000 0.804 244 E CB -0.421 29.301 29.700 0.037 0.000 0.740 244 E HN 0.785 nan 8.360 nan 0.000 0.454 245 Q N -1.097 118.724 119.800 0.034 0.000 2.124 245 Q HA -0.101 4.242 4.340 0.005 0.000 0.202 245 Q C 1.913 177.826 176.000 -0.144 0.000 0.977 245 Q CA 1.166 56.927 55.803 -0.070 0.000 0.850 245 Q CB -0.200 28.468 28.738 -0.116 0.000 0.901 245 Q HN 0.303 nan 8.270 nan 0.000 0.429 246 F N 0.885 120.799 119.950 -0.060 0.000 2.367 246 F HA -0.063 4.468 4.527 0.006 0.000 0.298 246 F C 1.943 177.700 175.800 -0.072 0.000 1.094 246 F CA 0.851 58.799 58.000 -0.086 0.000 1.409 246 F CB 0.177 39.095 39.000 -0.137 0.000 1.064 246 F HN 0.059 nan 8.300 nan 0.000 0.528 247 E N -0.277 119.984 120.200 0.101 0.000 2.208 247 E HA -0.096 4.257 4.350 0.005 0.000 0.193 247 E C 0.580 177.183 176.600 0.004 0.000 0.988 247 E CA 0.608 57.034 56.400 0.043 0.000 0.828 247 E CB -0.093 29.628 29.700 0.036 0.000 0.763 247 E HN 0.298 nan 8.360 nan 0.000 0.478 248 N N 1.103 119.795 118.700 -0.014 0.000 2.376 248 N HA 0.127 4.870 4.740 0.005 0.000 0.249 248 N C -0.151 175.329 175.510 -0.050 0.000 1.140 248 N CA 0.046 53.078 53.050 -0.030 0.000 0.870 248 N CB 0.353 38.822 38.487 -0.029 0.000 1.124 248 N HN 0.259 nan 8.380 nan 0.000 0.505 249 I N -0.531 120.007 120.570 -0.054 0.000 2.396 249 I HA 0.253 4.426 4.170 0.005 0.000 0.292 249 I C -0.893 175.195 176.117 -0.047 0.000 0.999 249 I CA -0.702 60.559 61.300 -0.065 0.000 1.310 249 I CB 0.816 38.767 38.000 -0.082 0.000 1.404 249 I HN -0.281 nan 8.210 nan 0.000 0.496 250 L N 7.442 128.639 121.223 -0.043 0.000 2.278 250 L HA 0.207 4.550 4.340 0.005 0.000 0.287 250 L C 0.459 177.312 176.870 -0.029 0.000 1.072 250 L CA 0.227 55.048 54.840 -0.032 0.000 0.819 250 L CB 1.119 43.164 42.059 -0.024 0.000 1.176 250 L HN 0.750 nan 8.230 nan 0.000 0.435 251 L N 2.615 123.820 121.223 -0.030 0.000 2.221 251 L HA 0.246 4.589 4.340 0.005 0.000 0.202 251 L C 0.652 177.519 176.870 -0.006 0.000 1.074 251 L CA 0.798 55.624 54.840 -0.023 0.000 0.795 251 L CB -0.290 41.746 42.059 -0.038 0.000 0.960 251 L HN 0.545 nan 8.230 nan 0.000 0.458 252 K N -0.046 120.355 120.400 0.002 0.000 2.570 252 K HA 0.447 4.770 4.320 0.005 0.000 0.256 252 K C -1.653 174.967 176.600 0.034 0.000 0.939 252 K CA -0.497 55.804 56.287 0.023 0.000 0.833 252 K CB 1.978 34.504 32.500 0.043 0.000 1.318 252 K HN -0.218 nan 8.250 nan 0.000 0.433 253 V N 1.712 121.643 119.914 0.028 0.000 2.294 253 V HA 0.363 4.486 4.120 0.005 0.000 0.272 253 V C 0.057 176.169 176.094 0.030 0.000 1.027 253 V CA -0.929 61.388 62.300 0.029 0.000 0.823 253 V CB 0.421 32.253 31.823 0.016 0.000 1.030 253 V HN 0.785 nan 8.190 nan 0.000 0.457 254 N N 4.446 123.171 118.700 0.042 0.000 2.412 254 N HA 0.111 4.854 4.740 0.005 0.000 0.254 254 N C -1.908 173.612 175.510 0.015 0.000 1.232 254 N CA -1.031 52.036 53.050 0.029 0.000 0.880 254 N CB 0.704 39.208 38.487 0.028 0.000 1.076 254 N HN 0.287 nan 8.380 nan 0.000 0.458 255 P HA -0.234 nan 4.420 nan 0.000 0.218 255 P C 0.125 177.426 177.300 0.003 0.000 1.152 255 P CA 1.402 64.505 63.100 0.004 0.000 0.857 255 P CB -0.100 31.600 31.700 0.001 0.000 0.787 256 D N -0.517 119.884 120.400 0.001 0.000 2.745 256 D HA 0.051 4.694 4.640 0.005 0.000 0.229 256 D C 0.780 177.081 176.300 0.003 0.000 1.088 256 D CA 0.214 54.214 54.000 -0.001 0.000 1.054 256 D CB -1.356 39.441 40.800 -0.006 0.000 1.132 256 D HN 0.159 nan 8.370 nan 0.000 0.464 257 G N 0.289 109.091 108.800 0.004 0.000 2.421 257 G HA2 -0.257 3.706 3.960 0.005 0.000 0.300 257 G HA3 -0.257 3.706 3.960 0.005 0.000 0.300 257 G C 0.048 174.953 174.900 0.008 0.000 0.974 257 G CA 0.803 45.906 45.100 0.005 0.000 1.062 257 G HN 0.698 nan 8.290 nan 0.000 0.514 258 S N -1.255 114.453 115.700 0.013 0.000 2.651 258 S HA 0.818 5.291 4.470 0.005 0.000 0.279 258 S C -0.853 173.763 174.600 0.028 0.000 1.148 258 S CA -0.035 58.178 58.200 0.021 0.000 0.837 258 S CB 1.602 64.816 63.200 0.024 0.000 1.138 258 S HN 0.905 nan 8.310 nan 0.000 0.478 259 Q N 0.392 120.213 119.800 0.035 0.000 2.379 259 Q HA 0.733 5.076 4.340 0.005 0.000 0.278 259 Q C -1.650 174.379 176.000 0.049 0.000 1.068 259 Q CA -0.924 54.900 55.803 0.035 0.000 0.816 259 Q CB 1.517 30.265 28.738 0.015 0.000 1.387 259 Q HN 0.353 nan 8.270 nan 0.000 0.413 260 V N 1.580 121.518 119.914 0.041 0.000 2.409 260 V HA 0.673 4.796 4.120 0.005 0.000 0.291 260 V C -0.302 175.758 176.094 -0.057 0.000 1.020 260 V CA -0.824 61.477 62.300 0.002 0.000 0.848 260 V CB 1.021 32.847 31.823 0.006 0.000 0.990 260 V HN 0.804 nan 8.190 nan 0.000 0.430 261 R N 3.476 123.933 120.500 -0.071 0.000 2.758 261 R HA 0.613 4.956 4.340 0.005 0.000 0.265 261 R C 0.789 177.034 176.300 -0.093 0.000 1.016 261 R CA -0.927 55.133 56.100 -0.066 0.000 1.040 261 R CB 1.092 31.369 30.300 -0.039 0.000 1.152 261 R HN 0.465 nan 8.270 nan 0.000 0.503 262 L N 1.145 122.331 121.223 -0.062 0.000 2.447 262 L HA -0.114 4.230 4.340 0.005 0.000 0.225 262 L C 1.990 178.830 176.870 -0.050 0.000 1.148 262 L CA 1.791 56.598 54.840 -0.054 0.000 0.808 262 L CB -0.502 41.549 42.059 -0.013 0.000 0.928 262 L HN 0.831 nan 8.230 nan 0.000 0.448 263 K N -0.867 119.505 120.400 -0.047 0.000 2.217 263 K HA -0.101 4.222 4.320 0.005 0.000 0.202 263 K C 0.992 177.559 176.600 -0.054 0.000 1.051 263 K CA 1.312 57.581 56.287 -0.030 0.000 0.952 263 K CB 0.066 32.557 32.500 -0.014 0.000 0.736 263 K HN 0.406 nan 8.250 nan 0.000 0.453 264 D N -0.094 120.234 120.400 -0.120 0.000 2.340 264 D HA -0.029 4.614 4.640 0.005 0.000 0.220 264 D C 1.084 177.228 176.300 -0.260 0.000 1.039 264 D CA 0.364 54.255 54.000 -0.183 0.000 0.866 264 D CB 0.989 41.615 40.800 -0.290 0.000 0.913 264 D HN 0.042 nan 8.370 nan 0.000 0.523 265 V N -0.331 119.470 119.914 -0.188 0.000 3.431 265 V HA 0.381 4.504 4.120 0.005 0.000 0.255 265 V C 0.398 176.468 176.094 -0.040 0.000 1.403 265 V CA 0.436 62.649 62.300 -0.146 0.000 1.101 265 V CB 1.167 32.892 31.823 -0.164 0.000 0.891 265 V HN 0.175 nan 8.190 nan 0.000 0.446 266 A N -0.873 121.940 122.820 -0.012 0.000 2.552 266 A HA 0.737 5.060 4.320 0.005 0.000 0.288 266 A C -1.908 175.717 177.584 0.069 0.000 1.193 266 A CA -0.569 51.499 52.037 0.052 0.000 0.713 266 A CB 1.306 20.339 19.000 0.055 0.000 1.305 266 A HN 0.139 nan 8.150 nan 0.000 0.424 267 D N 0.363 120.852 120.400 0.148 0.000 2.192 267 D HA 0.541 5.184 4.640 0.005 0.000 0.246 267 D C -0.829 175.555 176.300 0.140 0.000 1.042 267 D CA 0.004 54.101 54.000 0.160 0.000 0.847 267 D CB 1.949 42.881 40.800 0.220 0.000 1.186 267 D HN 0.221 nan 8.370 nan 0.000 0.461 268 V N 0.543 120.497 119.914 0.066 0.000 2.715 268 V HA 0.936 5.059 4.120 0.005 0.000 0.310 268 V C 0.608 176.692 176.094 -0.017 0.000 1.054 268 V CA -0.480 61.801 62.300 -0.032 0.000 0.928 268 V CB 1.877 33.678 31.823 -0.038 0.000 1.007 268 V HN 0.809 nan 8.190 nan 0.000 0.437 269 G N 2.118 110.856 108.800 -0.103 0.000 2.338 269 G HA2 0.401 4.365 3.960 0.005 0.000 0.295 269 G HA3 0.401 4.365 3.960 0.005 0.000 0.295 269 G C -1.846 172.970 174.900 -0.141 0.000 1.461 269 G CA -0.995 44.060 45.100 -0.075 0.000 0.817 269 G HN 0.610 nan 8.290 nan 0.000 0.556 270 L N 0.881 122.004 121.223 -0.167 0.000 2.319 270 L HA 0.646 4.989 4.340 0.005 0.000 0.280 270 L C 1.048 177.823 176.870 -0.158 0.000 1.099 270 L CA 0.275 54.967 54.840 -0.247 0.000 0.828 270 L CB 1.016 42.761 42.059 -0.523 0.000 1.150 270 L HN 0.912 nan 8.230 nan 0.000 0.442 271 G N 1.380 110.196 108.800 0.027 0.000 2.687 271 G HA2 0.527 4.490 3.960 0.005 0.000 0.291 271 G HA3 0.527 4.490 3.960 0.005 0.000 0.291 271 G C -0.587 174.378 174.900 0.109 0.000 1.420 271 G CA -0.474 44.755 45.100 0.215 0.000 0.796 271 G HN 0.718 nan 8.290 nan 0.000 0.485 272 G N -1.132 107.472 108.800 -0.326 0.000 2.474 272 G HA2 0.300 4.263 3.960 0.005 0.000 0.233 272 G HA3 0.300 4.263 3.960 0.005 0.000 0.233 272 G C 0.693 175.392 174.900 -0.335 0.000 1.278 272 G CA 0.401 45.153 45.100 -0.580 0.000 0.861 272 G HN 0.711 nan 8.290 nan 0.000 0.567 273 Q N -0.115 119.605 119.800 -0.134 0.000 2.389 273 Q HA 0.005 4.348 4.340 0.005 0.000 0.204 273 Q C -0.275 175.606 176.000 -0.198 0.000 0.944 273 Q CA 0.866 56.647 55.803 -0.036 0.000 0.908 273 Q CB 0.286 29.093 28.738 0.116 0.000 1.002 273 Q HN 0.559 nan 8.270 nan 0.000 0.493 274 D N -1.160 119.126 120.400 -0.189 0.000 2.470 274 D HA 0.086 4.729 4.640 0.005 0.000 0.233 274 D C -1.064 175.189 176.300 -0.078 0.000 1.372 274 D CA -0.447 53.491 54.000 -0.104 0.000 0.994 274 D CB 0.315 41.083 40.800 -0.053 0.000 1.377 274 D HN 0.035 nan 8.370 nan 0.000 0.586 275 Y N 1.863 122.185 120.300 0.037 0.000 2.578 275 Y HA 0.038 4.591 4.550 0.005 0.000 0.297 275 Y C 2.291 178.228 175.900 0.061 0.000 1.176 275 Y CA 0.551 58.693 58.100 0.070 0.000 1.315 275 Y CB 0.247 38.763 38.460 0.093 0.000 1.031 275 Y HN 0.385 nan 8.280 nan 0.000 0.524 276 S N 0.384 116.180 115.700 0.161 0.000 2.380 276 S HA -0.094 4.379 4.470 0.005 0.000 0.213 276 S C 0.731 175.402 174.600 0.119 0.000 1.037 276 S CA 0.654 58.931 58.200 0.129 0.000 1.034 276 S CB -0.451 62.813 63.200 0.107 0.000 1.022 276 S HN 0.214 nan 8.310 nan 0.000 0.418 277 I N 2.132 122.772 120.570 0.116 0.000 2.441 277 I HA 0.306 4.479 4.170 0.005 0.000 0.287 277 I C 0.341 176.533 176.117 0.125 0.000 1.049 277 I CA -0.104 61.278 61.300 0.137 0.000 1.381 277 I CB 0.668 38.774 38.000 0.177 0.000 1.409 277 I HN 0.385 nan 8.210 nan 0.000 0.523 278 N N 3.672 122.430 118.700 0.097 0.000 2.647 278 N HA 0.857 5.600 4.740 0.005 0.000 0.266 278 N C -1.481 174.022 175.510 -0.012 0.000 1.373 278 N CA -0.722 52.368 53.050 0.066 0.000 0.807 278 N CB 2.738 41.257 38.487 0.054 0.000 1.513 278 N HN 0.640 nan 8.380 nan 0.000 0.505 279 A N 0.530 123.321 122.820 -0.048 0.000 2.608 279 A HA 0.534 4.858 4.320 0.005 0.000 0.292 279 A C -1.780 175.678 177.584 -0.211 0.000 1.066 279 A CA -0.523 51.374 52.037 -0.234 0.000 0.676 279 A CB 2.137 20.952 19.000 -0.307 0.000 1.277 279 A HN 0.587 nan 8.150 nan 0.000 0.413 280 Q N -0.171 119.416 119.800 -0.355 0.000 2.648 280 Q HA 0.721 5.064 4.340 0.005 0.000 0.300 280 Q C -2.200 173.704 176.000 -0.159 0.000 0.954 280 Q CA -0.672 55.031 55.803 -0.167 0.000 0.757 280 Q CB 1.692 30.396 28.738 -0.058 0.000 1.482 280 Q HN 1.280 nan 8.270 nan 0.000 0.437 281 F N 1.813 121.707 119.950 -0.094 0.000 2.671 281 F HA 0.392 4.922 4.527 0.006 0.000 0.332 281 F C -0.613 175.223 175.800 0.059 0.000 1.189 281 F CA -0.461 57.569 58.000 0.051 0.000 0.988 281 F CB 0.915 40.068 39.000 0.255 0.000 1.258 281 F HN 0.790 nan 8.300 nan 0.000 0.471 282 N N 3.619 122.050 118.700 -0.448 0.000 2.753 282 N HA -0.198 4.545 4.740 0.005 0.000 0.251 282 N C 0.881 176.291 175.510 -0.167 0.000 1.097 282 N CA 1.854 54.671 53.050 -0.388 0.000 0.786 282 N CB -1.264 36.875 38.487 -0.579 0.000 1.137 282 N HN 1.403 nan 8.380 nan 0.000 0.566 283 G N -2.718 106.025 108.800 -0.094 0.000 2.493 283 G HA2 -0.264 3.699 3.960 0.005 0.000 0.206 283 G HA3 -0.264 3.699 3.960 0.005 0.000 0.206 283 G C 0.105 174.998 174.900 -0.011 0.000 1.109 283 G CA 0.185 45.258 45.100 -0.045 0.000 0.689 283 G HN 0.566 nan 8.290 nan 0.000 0.516 284 S N 3.594 119.300 115.700 0.010 0.000 2.573 284 S HA 0.474 4.947 4.470 0.005 0.000 0.277 284 S C -2.315 172.324 174.600 0.064 0.000 1.346 284 S CA -0.315 57.913 58.200 0.045 0.000 1.034 284 S CB 1.105 64.349 63.200 0.072 0.000 0.879 284 S HN 0.374 nan 8.310 nan 0.000 0.528 285 P HA 0.365 nan 4.420 nan 0.000 0.267 285 P C -0.955 176.397 177.300 0.088 0.000 1.209 285 P CA 0.109 63.244 63.100 0.058 0.000 0.763 285 P CB 0.410 32.142 31.700 0.055 0.000 0.816 286 A N 2.305 125.181 122.820 0.093 0.000 2.593 286 A HA 0.771 5.094 4.320 0.005 0.000 0.290 286 A C -0.837 176.835 177.584 0.147 0.000 1.126 286 A CA -0.441 51.680 52.037 0.140 0.000 0.695 286 A CB 1.575 20.721 19.000 0.243 0.000 1.290 286 A HN 0.391 nan 8.150 nan 0.000 0.414 287 S N -1.527 114.281 115.700 0.181 0.000 2.667 287 S HA 0.899 5.372 4.470 0.005 0.000 0.292 287 S C -0.339 174.426 174.600 0.274 0.000 1.126 287 S CA 0.110 58.444 58.200 0.224 0.000 0.881 287 S CB 1.899 65.177 63.200 0.130 0.000 1.132 287 S HN 2.226 nan 8.310 nan 0.000 0.492 288 G N 0.697 109.681 108.800 0.307 0.000 2.720 288 G HA2 0.572 4.536 3.960 0.005 0.000 0.295 288 G HA3 0.572 4.536 3.960 0.005 0.000 0.295 288 G C -2.023 172.828 174.900 -0.082 0.000 1.437 288 G CA -0.569 44.612 45.100 0.134 0.000 0.886 288 G HN 0.796 nan 8.290 nan 0.000 0.509 289 I N 1.585 122.019 120.570 -0.226 0.000 2.390 289 I HA 0.738 4.911 4.170 0.005 0.000 0.283 289 I C 0.347 176.245 176.117 -0.365 0.000 1.016 289 I CA -0.668 60.450 61.300 -0.303 0.000 1.151 289 I CB 1.174 39.077 38.000 -0.163 0.000 1.293 289 I HN 0.736 nan 8.210 nan 0.000 0.458 290 A N 8.032 130.495 122.820 -0.594 0.000 2.362 290 A HA 0.641 4.964 4.320 0.005 0.000 0.276 290 A C -0.352 177.112 177.584 -0.199 0.000 1.153 290 A CA -0.296 51.418 52.037 -0.537 0.000 0.813 290 A CB 0.010 18.354 19.000 -1.094 0.000 1.081 290 A HN 0.736 nan 8.150 nan 0.000 0.507 291 I N 2.366 122.920 120.570 -0.027 0.000 2.336 291 I HA 0.283 4.456 4.170 0.005 0.000 0.292 291 I C 0.369 176.634 176.117 0.246 0.000 0.991 291 I CA -0.232 61.140 61.300 0.120 0.000 1.227 291 I CB 1.618 39.658 38.000 0.068 0.000 1.366 291 I HN 0.662 nan 8.210 nan 0.000 0.466 292 K N 6.865 127.432 120.400 0.278 0.000 2.185 292 K HA 0.489 4.812 4.320 0.005 0.000 0.269 292 K C -0.868 175.838 176.600 0.176 0.000 0.987 292 K CA -0.696 55.755 56.287 0.274 0.000 0.865 292 K CB 1.420 34.071 32.500 0.252 0.000 1.090 292 K HN 0.522 nan 8.250 nan 0.000 0.450 293 L N 3.390 124.703 121.223 0.150 0.000 2.397 293 L HA 0.311 4.654 4.340 0.005 0.000 0.271 293 L C -0.312 176.610 176.870 0.086 0.000 1.148 293 L CA -0.083 54.821 54.840 0.107 0.000 0.825 293 L CB 0.933 43.052 42.059 0.099 0.000 1.117 293 L HN 0.836 nan 8.230 nan 0.000 0.456 294 A N 3.256 126.117 122.820 0.068 0.000 2.409 294 A HA 0.228 4.552 4.320 0.005 0.000 0.267 294 A C 0.298 177.906 177.584 0.041 0.000 1.127 294 A CA -0.144 51.924 52.037 0.052 0.000 0.795 294 A CB 0.266 19.291 19.000 0.042 0.000 1.061 294 A HN 0.742 nan 8.150 nan 0.000 0.502 295 T N 1.894 116.467 114.554 0.033 0.000 2.800 295 T HA 0.354 4.707 4.350 0.005 0.000 0.283 295 T C 1.546 176.257 174.700 0.017 0.000 0.999 295 T CA 2.069 64.184 62.100 0.025 0.000 1.176 295 T CB -0.464 68.411 68.868 0.011 0.000 0.973 295 T HN 2.257 nan 8.240 nan 0.000 0.519 296 G N 2.848 111.662 108.800 0.024 0.000 2.213 296 G HA2 -0.047 3.916 3.960 0.005 0.000 0.236 296 G HA3 -0.047 3.916 3.960 0.005 0.000 0.236 296 G C 0.365 175.280 174.900 0.025 0.000 0.991 296 G CA 0.025 45.137 45.100 0.020 0.000 0.629 296 G HN 1.275 nan 8.290 nan 0.000 0.517 297 A N -0.164 122.673 122.820 0.029 0.000 2.259 297 A HA 0.659 4.982 4.320 0.005 0.000 0.278 297 A C 0.422 178.026 177.584 0.034 0.000 1.107 297 A CA 0.248 52.303 52.037 0.029 0.000 0.828 297 A CB 0.386 19.404 19.000 0.031 0.000 1.111 297 A HN 0.585 nan 8.150 nan 0.000 0.498 298 N N 0.099 118.817 118.700 0.030 0.000 2.469 298 N HA 0.356 5.100 4.740 0.005 0.000 0.253 298 N C 0.907 176.434 175.510 0.028 0.000 0.970 298 N CA 0.268 53.335 53.050 0.029 0.000 0.940 298 N CB 1.609 40.109 38.487 0.023 0.000 1.128 298 N HN 0.619 nan 8.380 nan 0.000 0.503 299 A N 5.239 128.080 122.820 0.035 0.000 1.881 299 A HA -0.203 4.120 4.320 0.005 0.000 0.219 299 A C 2.076 179.669 177.584 0.016 0.000 1.215 299 A CA 1.174 53.232 52.037 0.034 0.000 0.648 299 A CB -0.602 18.423 19.000 0.042 0.000 0.832 299 A HN 0.715 nan 8.150 nan 0.000 0.455 300 L N -0.450 120.777 121.223 0.008 0.000 2.013 300 L HA -0.212 4.131 4.340 0.005 0.000 0.212 300 L C 2.251 179.117 176.870 -0.008 0.000 1.073 300 L CA 2.362 57.198 54.840 -0.006 0.000 0.753 300 L CB -1.654 40.400 42.059 -0.008 0.000 0.890 300 L HN 0.428 nan 8.230 nan 0.000 0.432 301 D N -0.858 119.542 120.400 0.000 0.000 2.077 301 D HA -0.182 4.461 4.640 0.005 0.000 0.193 301 D C 2.088 178.388 176.300 -0.000 0.000 0.989 301 D CA 1.980 55.980 54.000 -0.000 0.000 0.831 301 D CB -0.236 40.568 40.800 0.006 0.000 0.979 301 D HN 0.189 nan 8.370 nan 0.000 0.449 302 T N -0.079 114.480 114.554 0.008 0.000 2.849 302 T HA -0.132 4.221 4.350 0.005 0.000 0.270 302 T C 1.782 176.486 174.700 0.007 0.000 1.066 302 T CA 1.778 63.885 62.100 0.011 0.000 1.130 302 T CB -0.203 68.679 68.868 0.023 0.000 0.864 302 T HN 0.140 nan 8.240 nan 0.000 0.481 303 A N 0.952 123.773 122.820 0.001 0.000 1.898 303 A HA 0.015 4.338 4.320 0.005 0.000 0.216 303 A C 2.320 179.889 177.584 -0.026 0.000 1.181 303 A CA 1.782 53.812 52.037 -0.012 0.000 0.620 303 A CB -0.635 18.349 19.000 -0.028 0.000 0.819 303 A HN 0.568 nan 8.150 nan 0.000 0.442 304 K N -0.350 120.034 120.400 -0.027 0.000 2.152 304 K HA -0.116 4.207 4.320 0.005 0.000 0.206 304 K C 2.082 178.671 176.600 -0.018 0.000 1.048 304 K CA 1.112 57.381 56.287 -0.031 0.000 0.933 304 K CB -0.248 32.236 32.500 -0.026 0.000 0.721 304 K HN 0.424 nan 8.250 nan 0.000 0.447 305 A N 1.350 124.164 122.820 -0.010 0.000 1.872 305 A HA -0.114 4.210 4.320 0.005 0.000 0.214 305 A C 2.032 179.616 177.584 -0.000 0.000 1.187 305 A CA 1.368 53.402 52.037 -0.005 0.000 0.614 305 A CB -0.540 18.458 19.000 -0.004 0.000 0.826 305 A HN 0.489 nan 8.150 nan 0.000 0.442 306 I N -1.611 118.962 120.570 0.006 0.000 2.361 306 I HA -0.158 4.015 4.170 0.005 0.000 0.251 306 I C 1.978 178.121 176.117 0.043 0.000 1.133 306 I CA 1.725 63.035 61.300 0.017 0.000 1.413 306 I CB -0.359 37.659 38.000 0.029 0.000 1.073 306 I HN 0.136 nan 8.210 nan 0.000 0.424 307 R N 0.150 120.673 120.500 0.039 0.000 2.235 307 R HA -0.058 4.285 4.340 0.005 0.000 0.213 307 R C 2.258 178.579 176.300 0.035 0.000 1.059 307 R CA 1.047 57.181 56.100 0.057 0.000 0.997 307 R CB -0.302 29.989 30.300 -0.016 0.000 0.884 307 R HN 0.634 nan 8.270 nan 0.000 0.462 308 Q N -0.163 119.647 119.800 0.016 0.000 2.163 308 Q HA -0.064 4.279 4.340 0.005 0.000 0.198 308 Q C 1.287 177.296 176.000 0.016 0.000 0.954 308 Q CA 1.236 57.045 55.803 0.010 0.000 0.851 308 Q CB 0.348 29.087 28.738 0.001 0.000 0.928 308 Q HN 0.180 nan 8.270 nan 0.000 0.459 309 T N 1.612 116.174 114.554 0.013 0.000 2.701 309 T HA -0.143 4.210 4.350 0.005 0.000 0.263 309 T C 1.836 176.550 174.700 0.023 0.000 1.040 309 T CA 1.601 63.706 62.100 0.009 0.000 1.147 309 T CB -0.292 68.569 68.868 -0.013 0.000 0.865 309 T HN 0.512 nan 8.240 nan 0.000 0.426 310 I N 1.116 121.704 120.570 0.031 0.000 2.315 310 I HA 0.142 4.315 4.170 0.005 0.000 0.248 310 I C 2.389 178.534 176.117 0.048 0.000 1.117 310 I CA 1.345 62.669 61.300 0.040 0.000 1.404 310 I CB -0.737 37.283 38.000 0.034 0.000 1.071 310 I HN 0.091 nan 8.210 nan 0.000 0.419 311 A N 0.763 123.611 122.820 0.047 0.000 2.168 311 A HA -0.112 4.211 4.320 0.005 0.000 0.215 311 A C 2.003 179.596 177.584 0.014 0.000 1.152 311 A CA 1.505 53.559 52.037 0.028 0.000 0.716 311 A CB -1.172 17.843 19.000 0.026 0.000 0.794 311 A HN 0.647 nan 8.150 nan 0.000 0.465 312 N N -0.630 118.090 118.700 0.033 0.000 2.373 312 N HA 0.106 4.849 4.740 0.005 0.000 0.181 312 N C 0.975 176.551 175.510 0.111 0.000 1.082 312 N CA 0.581 53.662 53.050 0.052 0.000 0.885 312 N CB -0.126 38.394 38.487 0.056 0.000 0.977 312 N HN 0.422 nan 8.380 nan 0.000 0.462 313 L N -0.761 120.528 121.223 0.110 0.000 2.731 313 L HA 0.306 4.649 4.340 0.005 0.000 0.240 313 L C 1.724 178.687 176.870 0.156 0.000 1.120 313 L CA 0.014 54.986 54.840 0.221 0.000 0.913 313 L CB 0.143 42.304 42.059 0.169 0.000 1.213 313 L HN 0.136 nan 8.230 nan 0.000 0.515 314 E N 1.446 121.659 120.200 0.022 0.000 2.110 314 E HA -0.173 4.180 4.350 0.005 0.000 0.193 314 E C -0.886 175.636 176.600 -0.130 0.000 0.988 314 E CA 1.144 57.527 56.400 -0.029 0.000 0.804 314 E CB -0.223 29.453 29.700 -0.040 0.000 0.745 314 E HN 0.324 nan 8.360 nan 0.000 0.458 315 P HA -0.041 nan 4.420 nan 0.000 0.242 315 P C -0.213 176.751 177.300 -0.560 0.000 1.197 315 P CA 0.786 63.591 63.100 -0.492 0.000 0.765 315 P CB 0.057 31.345 31.700 -0.686 0.000 0.936 316 F N -2.471 117.506 119.950 0.045 0.000 2.706 316 F HA 0.324 4.854 4.527 0.006 0.000 0.313 316 F C 1.102 176.960 175.800 0.096 0.000 1.096 316 F CA -0.352 57.688 58.000 0.066 0.000 1.219 316 F CB -0.553 38.491 39.000 0.074 0.000 1.051 316 F HN -0.212 nan 8.300 nan 0.000 0.568 317 M N 1.974 121.664 119.600 0.150 0.000 2.233 317 M HA 0.245 4.728 4.480 0.005 0.000 0.350 317 M C -2.132 174.123 176.300 -0.076 0.000 1.176 317 M CA -1.592 53.672 55.300 -0.060 0.000 1.150 317 M CB 0.018 32.475 32.600 -0.237 0.000 1.530 317 M HN -0.273 nan 8.290 nan 0.000 0.459 318 P HA -0.083 nan 4.420 nan 0.000 0.262 318 P C -0.761 176.499 177.300 -0.067 0.000 1.182 318 P CA -0.026 63.038 63.100 -0.060 0.000 0.761 318 P CB 0.205 31.861 31.700 -0.073 0.000 0.795 319 Q N 2.690 122.472 119.800 -0.030 0.000 2.282 319 Q HA 0.129 4.472 4.340 0.005 0.000 0.276 319 Q C 0.810 176.792 176.000 -0.030 0.000 1.198 319 Q CA 0.829 56.615 55.803 -0.029 0.000 0.943 319 Q CB -0.774 27.957 28.738 -0.012 0.000 1.275 319 Q HN 0.806 nan 8.270 nan 0.000 0.424 320 G N 2.720 111.495 108.800 -0.042 0.000 3.685 320 G HA2 -0.092 3.871 3.960 0.005 0.000 0.215 320 G HA3 -0.092 3.871 3.960 0.005 0.000 0.215 320 G C 0.060 174.934 174.900 -0.044 0.000 0.987 320 G CA -0.011 45.069 45.100 -0.032 0.000 0.884 320 G HN 0.655 nan 8.290 nan 0.000 0.406 321 M N 0.839 120.390 119.600 -0.081 0.000 2.363 321 M HA 0.891 5.374 4.480 0.005 0.000 0.343 321 M C -1.083 175.159 176.300 -0.096 0.000 1.165 321 M CA -0.581 54.663 55.300 -0.094 0.000 1.046 321 M CB 2.065 34.575 32.600 -0.151 0.000 1.648 321 M HN -0.191 nan 8.290 nan 0.000 0.452 322 K N 2.869 123.229 120.400 -0.067 0.000 2.345 322 K HA 0.507 4.830 4.320 0.005 0.000 0.255 322 K C -1.274 175.280 176.600 -0.078 0.000 0.934 322 K CA -0.783 55.470 56.287 -0.057 0.000 0.801 322 K CB 2.600 35.089 32.500 -0.019 0.000 1.137 322 K HN 0.729 nan 8.250 nan 0.000 0.424 323 V N 2.871 122.727 119.914 -0.097 0.000 2.572 323 V HA 0.115 4.238 4.120 0.005 0.000 0.291 323 V C 0.421 176.388 176.094 -0.211 0.000 1.039 323 V CA -0.310 61.886 62.300 -0.172 0.000 1.055 323 V CB 1.215 32.930 31.823 -0.180 0.000 0.969 323 V HN 0.462 nan 8.190 nan 0.000 0.482 324 V N 5.934 125.653 119.914 -0.325 0.000 3.046 324 V HA 0.575 4.698 4.120 0.005 0.000 0.316 324 V C -1.387 174.371 176.094 -0.559 0.000 1.104 324 V CA -0.635 61.481 62.300 -0.307 0.000 1.006 324 V CB 2.466 34.124 31.823 -0.275 0.000 1.058 324 V HN 0.750 nan 8.190 nan 0.000 0.440 325 Y N 4.556 124.731 120.300 -0.208 0.000 2.863 325 Y HA 0.414 4.967 4.550 0.005 0.000 0.348 325 Y C -1.791 173.984 175.900 -0.209 0.000 1.028 325 Y CA -1.659 56.322 58.100 -0.199 0.000 1.213 325 Y CB 1.037 39.431 38.460 -0.111 0.000 1.120 325 Y HN 0.546 nan 8.280 nan 0.000 0.598 326 P HA -0.204 nan 4.420 nan 0.000 0.211 326 P C -0.509 176.852 177.300 0.101 0.000 1.179 326 P CA 1.539 64.515 63.100 -0.205 0.000 0.910 326 P CB 0.270 31.567 31.700 -0.671 0.000 0.785 327 Y N -0.359 119.853 120.300 -0.145 0.000 2.361 327 Y HA 0.591 5.144 4.550 0.005 0.000 0.337 327 Y C -1.583 174.330 175.900 0.023 0.000 0.965 327 Y CA -1.306 56.792 58.100 -0.003 0.000 1.091 327 Y CB 1.285 39.729 38.460 -0.028 0.000 1.182 327 Y HN -0.230 nan 8.280 nan 0.000 0.450 328 D N 3.348 123.460 120.400 -0.481 0.000 2.764 328 D HA 0.144 4.788 4.640 0.005 0.000 0.227 328 D C 0.328 176.398 176.300 -0.383 0.000 1.347 328 D CA 0.111 53.900 54.000 -0.351 0.000 0.953 328 D CB 1.736 42.455 40.800 -0.135 0.000 1.476 328 D HN 0.666 nan 8.370 nan 0.000 0.585 329 T N -0.675 113.678 114.554 -0.336 0.000 3.035 329 T HA -0.080 4.273 4.350 0.005 0.000 0.259 329 T C 1.802 176.477 174.700 -0.042 0.000 1.078 329 T CA 1.504 63.507 62.100 -0.162 0.000 1.132 329 T CB -0.362 68.479 68.868 -0.046 0.000 0.900 329 T HN 0.395 nan 8.240 nan 0.000 0.480 330 T N 0.787 115.313 114.554 -0.045 0.000 2.699 330 T HA -0.042 4.311 4.350 0.005 0.000 0.268 330 T C -0.498 174.195 174.700 -0.012 0.000 1.036 330 T CA 1.120 63.208 62.100 -0.020 0.000 1.147 330 T CB -1.968 66.879 68.868 -0.034 0.000 0.862 330 T HN 0.316 nan 8.240 nan 0.000 0.446 331 P HA -0.044 nan 4.420 nan 0.000 0.218 331 P C 1.812 179.148 177.300 0.060 0.000 1.146 331 P CA 0.423 63.527 63.100 0.008 0.000 0.813 331 P CB -0.299 31.411 31.700 0.016 0.000 0.778 332 V N -0.698 119.278 119.914 0.102 0.000 2.591 332 V HA -0.146 3.978 4.120 0.005 0.000 0.249 332 V C 2.081 178.197 176.094 0.036 0.000 1.053 332 V CA 1.465 63.855 62.300 0.149 0.000 1.068 332 V CB -0.676 31.306 31.823 0.264 0.000 0.689 332 V HN -0.088 nan 8.190 nan 0.000 0.462 333 V N 0.141 120.069 119.914 0.024 0.000 2.427 333 V HA -0.191 3.932 4.120 0.005 0.000 0.248 333 V C 2.582 178.660 176.094 -0.028 0.000 1.051 333 V CA 2.163 64.456 62.300 -0.011 0.000 1.048 333 V CB -1.069 30.752 31.823 -0.004 0.000 0.666 333 V HN 0.594 nan 8.190 nan 0.000 0.456 334 S N 1.148 116.835 115.700 -0.021 0.000 2.354 334 S HA -0.215 4.258 4.470 0.005 0.000 0.219 334 S C 2.332 176.920 174.600 -0.020 0.000 1.035 334 S CA 1.618 59.803 58.200 -0.024 0.000 1.037 334 S CB -0.835 62.340 63.200 -0.041 0.000 0.956 334 S HN 0.657 nan 8.310 nan 0.000 0.428 335 A N 2.120 124.912 122.820 -0.048 0.000 1.892 335 A HA -0.199 4.124 4.320 0.005 0.000 0.218 335 A C 2.454 179.975 177.584 -0.105 0.000 1.188 335 A CA 2.570 54.554 52.037 -0.089 0.000 0.631 335 A CB -1.304 17.590 19.000 -0.176 0.000 0.822 335 A HN 0.661 nan 8.150 nan 0.000 0.447 336 S N 0.811 116.423 115.700 -0.146 0.000 2.348 336 S HA -0.203 4.270 4.470 0.005 0.000 0.221 336 S C 2.004 176.548 174.600 -0.094 0.000 1.033 336 S CA 1.593 59.698 58.200 -0.158 0.000 1.010 336 S CB -1.214 61.895 63.200 -0.152 0.000 0.891 336 S HN 0.905 nan 8.310 nan 0.000 0.442 337 I N 0.899 121.428 120.570 -0.068 0.000 2.179 337 I HA -0.121 4.052 4.170 0.005 0.000 0.242 337 I C 2.639 178.750 176.117 -0.009 0.000 1.088 337 I CA 2.220 63.490 61.300 -0.049 0.000 1.357 337 I CB -1.256 36.722 38.000 -0.036 0.000 1.051 337 I HN 0.395 nan 8.210 nan 0.000 0.409 338 H N 0.854 119.884 119.070 -0.065 0.000 2.460 338 H HA -0.219 4.340 4.556 0.005 0.000 0.297 338 H C 2.005 177.303 175.328 -0.050 0.000 1.103 338 H CA 2.140 58.157 56.048 -0.052 0.000 1.292 338 H CB -0.066 29.663 29.762 -0.056 0.000 1.376 338 H HN 0.508 nan 8.280 nan 0.000 0.531 339 E N -0.406 119.738 120.200 -0.095 0.000 2.112 339 E HA -0.060 4.293 4.350 0.005 0.000 0.190 339 E C 2.242 178.772 176.600 -0.118 0.000 0.979 339 E CA 1.098 57.419 56.400 -0.133 0.000 0.814 339 E CB 0.030 29.678 29.700 -0.087 0.000 0.762 339 E HN 0.411 nan 8.360 nan 0.000 0.460 340 V N -0.322 119.555 119.914 -0.061 0.000 2.358 340 V HA -0.208 3.915 4.120 0.005 0.000 0.246 340 V C 2.328 178.407 176.094 -0.026 0.000 1.047 340 V CA 1.337 63.642 62.300 0.007 0.000 1.035 340 V CB -0.689 31.166 31.823 0.054 0.000 0.658 340 V HN 0.121 nan 8.190 nan 0.000 0.452 341 V N 0.827 120.701 119.914 -0.068 0.000 2.317 341 V HA -0.383 3.741 4.120 0.005 0.000 0.251 341 V C 2.577 178.601 176.094 -0.118 0.000 1.065 341 V CA 2.712 64.966 62.300 -0.077 0.000 1.049 341 V CB -0.806 30.951 31.823 -0.110 0.000 0.651 341 V HN 0.683 nan 8.190 nan 0.000 0.450 342 K N 0.504 120.776 120.400 -0.214 0.000 2.057 342 K HA -0.233 4.090 4.320 0.005 0.000 0.207 342 K C 2.120 178.663 176.600 -0.094 0.000 1.049 342 K CA 2.142 58.317 56.287 -0.186 0.000 0.931 342 K CB -0.448 31.906 32.500 -0.243 0.000 0.714 342 K HN 0.641 nan 8.250 nan 0.000 0.440 343 T N -0.624 113.887 114.554 -0.072 0.000 3.072 343 T HA -0.012 4.341 4.350 0.005 0.000 0.266 343 T C 1.922 176.609 174.700 -0.021 0.000 1.127 343 T CA 0.332 62.404 62.100 -0.046 0.000 1.107 343 T CB -0.064 68.777 68.868 -0.045 0.000 0.910 343 T HN 0.174 nan 8.240 nan 0.000 0.513 344 L N 0.759 121.975 121.223 -0.011 0.000 2.007 344 L HA 0.151 4.494 4.340 0.005 0.000 0.205 344 L C 3.118 179.989 176.870 0.002 0.000 1.073 344 L CA 1.647 56.494 54.840 0.011 0.000 0.744 344 L CB -1.214 40.863 42.059 0.029 0.000 0.898 344 L HN 0.492 nan 8.230 nan 0.000 0.435 345 G N -0.636 108.155 108.800 -0.015 0.000 2.499 345 G HA2 -0.250 3.714 3.960 0.005 0.000 0.221 345 G HA3 -0.250 3.714 3.960 0.005 0.000 0.221 345 G C 1.357 176.248 174.900 -0.016 0.000 1.109 345 G CA 0.640 45.729 45.100 -0.018 0.000 0.749 345 G HN 0.470 nan 8.290 nan 0.000 0.568 346 E N 0.362 120.551 120.200 -0.018 0.000 2.060 346 E HA 0.105 4.458 4.350 0.005 0.000 0.189 346 E C 2.990 179.589 176.600 -0.001 0.000 0.974 346 E CA 0.545 56.936 56.400 -0.015 0.000 0.808 346 E CB -0.152 29.532 29.700 -0.027 0.000 0.768 346 E HN 0.373 nan 8.360 nan 0.000 0.453 347 A N 2.478 125.298 122.820 -0.000 0.000 1.845 347 A HA -0.169 4.155 4.320 0.005 0.000 0.215 347 A C 2.249 179.857 177.584 0.040 0.000 1.195 347 A CA 0.984 53.029 52.037 0.013 0.000 0.616 347 A CB -0.694 18.313 19.000 0.012 0.000 0.832 347 A HN 0.273 nan 8.150 nan 0.000 0.443 348 I N -0.149 120.445 120.570 0.040 0.000 2.248 348 I HA -0.224 3.950 4.170 0.005 0.000 0.248 348 I C 2.213 178.375 176.117 0.076 0.000 1.107 348 I CA 2.082 63.416 61.300 0.056 0.000 1.373 348 I CB -0.480 37.543 38.000 0.039 0.000 1.055 348 I HN 0.470 nan 8.210 nan 0.000 0.418 349 L N -0.033 121.217 121.223 0.045 0.000 2.131 349 L HA -0.090 4.253 4.340 0.005 0.000 0.206 349 L C 2.359 179.299 176.870 0.117 0.000 1.087 349 L CA 0.937 55.804 54.840 0.046 0.000 0.767 349 L CB -0.112 41.941 42.059 -0.011 0.000 0.917 349 L HN 0.144 nan 8.230 nan 0.000 0.441 350 L N -1.271 120.002 121.223 0.084 0.000 2.109 350 L HA -0.146 4.197 4.340 0.005 0.000 0.207 350 L C 2.463 179.402 176.870 0.115 0.000 1.086 350 L CA 0.558 55.451 54.840 0.087 0.000 0.760 350 L CB -0.301 41.785 42.059 0.045 0.000 0.910 350 L HN 0.108 nan 8.230 nan 0.000 0.437 351 V N -0.431 119.552 119.914 0.115 0.000 2.515 351 V HA -0.297 3.827 4.120 0.005 0.000 0.250 351 V C 2.157 178.334 176.094 0.137 0.000 1.058 351 V CA 1.636 64.003 62.300 0.111 0.000 1.064 351 V CB -0.211 31.671 31.823 0.098 0.000 0.675 351 V HN 0.425 nan 8.190 nan 0.000 0.461 352 F N -0.519 119.445 119.950 0.025 0.000 2.146 352 F HA -0.145 4.385 4.527 0.005 0.000 0.298 352 F C 1.992 177.826 175.800 0.056 0.000 1.096 352 F CA 1.568 59.581 58.000 0.021 0.000 1.275 352 F CB -0.089 38.911 39.000 -0.000 0.000 1.008 352 F HN 0.058 nan 8.300 nan 0.000 0.480 353 L N 0.227 121.612 121.223 0.269 0.000 2.046 353 L HA -0.160 4.183 4.340 0.005 0.000 0.208 353 L C 2.560 179.467 176.870 0.063 0.000 1.077 353 L CA 1.256 56.178 54.840 0.136 0.000 0.747 353 L CB -1.555 40.592 42.059 0.148 0.000 0.896 353 L HN 0.109 nan 8.230 nan 0.000 0.432 354 V N 0.481 120.449 119.914 0.091 0.000 2.392 354 V HA -0.319 3.804 4.120 0.005 0.000 0.249 354 V C 2.555 178.751 176.094 0.170 0.000 1.059 354 V CA 2.058 64.443 62.300 0.143 0.000 1.051 354 V CB -0.588 31.311 31.823 0.127 0.000 0.658 354 V HN 0.525 nan 8.190 nan 0.000 0.455 355 M N -1.964 117.656 119.600 0.034 0.000 2.388 355 M HA -0.043 4.440 4.480 0.005 0.000 0.265 355 M C 2.309 178.579 176.300 -0.049 0.000 1.088 355 M CA 1.716 57.012 55.300 -0.008 0.000 1.134 355 M CB -0.799 31.741 32.600 -0.100 0.000 1.384 355 M HN 0.275 nan 8.290 nan 0.000 0.447 356 Y N 2.435 122.548 120.300 -0.311 0.000 2.224 356 Y HA -0.127 4.426 4.550 0.006 0.000 0.289 356 Y C 2.300 178.142 175.900 -0.096 0.000 1.146 356 Y CA 1.261 59.183 58.100 -0.297 0.000 1.182 356 Y CB -0.354 37.860 38.460 -0.411 0.000 0.983 356 Y HN 0.261 nan 8.280 nan 0.000 0.524 357 L N -1.143 120.192 121.223 0.187 0.000 2.265 357 L HA -0.220 4.123 4.340 0.005 0.000 0.215 357 L C 1.353 177.974 176.870 -0.416 0.000 1.117 357 L CA 1.906 56.705 54.840 -0.069 0.000 0.782 357 L CB -0.746 41.221 42.059 -0.155 0.000 0.914 357 L HN 0.270 nan 8.230 nan 0.000 0.441 358 F N -0.890 118.941 119.950 -0.198 0.000 2.480 358 F HA 0.076 4.606 4.527 0.005 0.000 0.280 358 F C 2.270 177.941 175.800 -0.214 0.000 1.002 358 F CA 0.311 58.164 58.000 -0.246 0.000 1.325 358 F CB -0.170 38.709 39.000 -0.202 0.000 1.134 358 F HN -0.166 nan 8.300 nan 0.000 0.646 359 L N -0.295 120.915 121.223 -0.022 0.000 2.201 359 L HA -0.160 4.183 4.340 0.005 0.000 0.212 359 L C 0.923 177.643 176.870 -0.251 0.000 1.105 359 L CA 0.998 55.755 54.840 -0.138 0.000 0.775 359 L CB -0.770 41.185 42.059 -0.174 0.000 0.913 359 L HN 0.280 nan 8.230 nan 0.000 0.440 360 Q N -1.056 118.562 119.800 -0.305 0.000 2.393 360 Q HA -0.264 4.079 4.340 0.005 0.000 0.235 360 Q C 0.016 175.619 176.000 -0.661 0.000 0.823 360 Q CA 0.887 56.374 55.803 -0.526 0.000 1.284 360 Q CB -1.502 26.885 28.738 -0.585 0.000 1.669 360 Q HN 0.444 nan 8.270 nan 0.000 0.597 361 N N -0.643 117.730 118.700 -0.545 0.000 2.399 361 N HA 0.255 4.999 4.740 0.005 0.000 0.280 361 N C -0.307 174.946 175.510 -0.429 0.000 1.008 361 N CA -0.435 52.369 53.050 -0.410 0.000 0.894 361 N CB 0.851 39.196 38.487 -0.236 0.000 1.273 361 N HN 0.054 nan 8.380 nan 0.000 0.486 362 F N 3.784 123.457 119.950 -0.462 0.000 2.046 362 F HA -0.150 4.380 4.527 0.005 0.000 0.297 362 F C 1.984 177.706 175.800 -0.131 0.000 1.123 362 F CA 1.556 59.382 58.000 -0.290 0.000 1.199 362 F CB 0.296 39.259 39.000 -0.061 0.000 0.972 362 F HN 0.533 nan 8.300 nan 0.000 0.474 363 R N 0.340 121.008 120.500 0.279 0.000 2.105 363 R HA -0.157 4.186 4.340 0.005 0.000 0.239 363 R C 2.242 178.581 176.300 0.064 0.000 1.135 363 R CA 1.265 57.482 56.100 0.194 0.000 0.967 363 R CB -0.945 29.414 30.300 0.099 0.000 0.861 363 R HN 0.388 nan 8.270 nan 0.000 0.442 364 A N 0.530 123.330 122.820 -0.033 0.000 2.016 364 A HA -0.047 4.276 4.320 0.005 0.000 0.217 364 A C 2.014 179.526 177.584 -0.119 0.000 1.162 364 A CA 1.319 53.310 52.037 -0.077 0.000 0.662 364 A CB -0.349 18.585 19.000 -0.110 0.000 0.812 364 A HN 0.247 nan 8.150 nan 0.000 0.450 365 T N 0.022 114.450 114.554 -0.210 0.000 2.896 365 T HA -0.049 4.304 4.350 0.005 0.000 0.263 365 T C 1.744 176.356 174.700 -0.147 0.000 1.050 365 T CA 1.136 63.057 62.100 -0.298 0.000 1.140 365 T CB -0.281 68.215 68.868 -0.621 0.000 0.877 365 T HN 0.258 nan 8.240 nan 0.000 0.457 366 L N 2.052 123.253 121.223 -0.036 0.000 2.187 366 L HA 0.019 4.362 4.340 0.005 0.000 0.213 366 L C 1.986 178.932 176.870 0.127 0.000 1.100 366 L CA 1.300 56.231 54.840 0.151 0.000 0.765 366 L CB -0.705 41.526 42.059 0.287 0.000 0.904 366 L HN 0.442 nan 8.230 nan 0.000 0.437 367 I N -1.583 119.023 120.570 0.061 0.000 2.339 367 I HA -0.012 4.161 4.170 0.005 0.000 0.245 367 I C -0.591 175.532 176.117 0.010 0.000 1.096 367 I CA 0.474 61.798 61.300 0.041 0.000 1.408 367 I CB -1.431 36.576 38.000 0.012 0.000 1.092 367 I HN 0.124 nan 8.210 nan 0.000 0.423 368 P HA -0.120 nan 4.420 nan 0.000 0.220 368 P C 1.843 179.152 177.300 0.015 0.000 1.148 368 P CA 2.199 65.287 63.100 -0.020 0.000 0.803 368 P CB -0.349 31.328 31.700 -0.039 0.000 0.782 369 T N -1.117 113.475 114.554 0.064 0.000 2.746 369 T HA -0.196 4.157 4.350 0.005 0.000 0.267 369 T C 1.771 176.521 174.700 0.082 0.000 1.039 369 T CA 1.412 63.580 62.100 0.112 0.000 1.142 369 T CB -1.487 67.521 68.868 0.234 0.000 0.866 369 T HN 0.162 nan 8.240 nan 0.000 0.444 370 I N 1.272 121.892 120.570 0.083 0.000 2.700 370 I HA 0.257 4.430 4.170 0.005 0.000 0.261 370 I C 2.423 178.552 176.117 0.020 0.000 1.219 370 I CA 1.001 62.350 61.300 0.082 0.000 1.463 370 I CB -0.756 37.326 38.000 0.138 0.000 1.092 370 I HN 0.272 nan 8.210 nan 0.000 0.452 371 A N 0.426 123.239 122.820 -0.012 0.000 2.121 371 A HA -0.002 4.321 4.320 0.005 0.000 0.218 371 A C 2.235 179.805 177.584 -0.023 0.000 1.154 371 A CA 1.651 53.660 52.037 -0.047 0.000 0.679 371 A CB -0.916 18.048 19.000 -0.059 0.000 0.795 371 A HN 0.391 nan 8.150 nan 0.000 0.458 372 V N 0.411 120.331 119.914 0.009 0.000 2.255 372 V HA -0.106 4.018 4.120 0.005 0.000 0.243 372 V C -0.144 175.967 176.094 0.028 0.000 1.038 372 V CA 2.119 64.430 62.300 0.018 0.000 1.008 372 V CB -1.479 30.367 31.823 0.037 0.000 0.645 372 V HN 0.325 nan 8.190 nan 0.000 0.449 373 P HA -0.153 nan 4.420 nan 0.000 0.217 373 P C 1.878 179.210 177.300 0.052 0.000 1.151 373 P CA 1.494 64.629 63.100 0.059 0.000 0.849 373 P CB -0.102 31.643 31.700 0.074 0.000 0.787 374 V N -0.212 119.718 119.914 0.027 0.000 2.270 374 V HA -0.181 3.943 4.120 0.005 0.000 0.245 374 V C 2.545 178.633 176.094 -0.011 0.000 1.043 374 V CA 2.182 64.484 62.300 0.003 0.000 1.014 374 V CB -1.390 30.406 31.823 -0.046 0.000 0.645 374 V HN 0.037 nan 8.190 nan 0.000 0.447 375 V N -2.211 117.685 119.914 -0.029 0.000 2.719 375 V HA -0.090 4.034 4.120 0.005 0.000 0.252 375 V C 2.124 178.190 176.094 -0.047 0.000 1.065 375 V CA 1.377 63.645 62.300 -0.053 0.000 1.086 375 V CB -0.707 31.073 31.823 -0.071 0.000 0.700 375 V HN 0.405 nan 8.190 nan 0.000 0.467 376 L N -0.714 120.506 121.223 -0.005 0.000 2.007 376 L HA -0.040 4.303 4.340 0.005 0.000 0.205 376 L C 2.615 179.575 176.870 0.149 0.000 1.073 376 L CA 1.326 56.175 54.840 0.016 0.000 0.744 376 L CB -0.606 41.501 42.059 0.079 0.000 0.898 376 L HN 0.297 nan 8.230 nan 0.000 0.435 377 L N 0.281 121.635 121.223 0.217 0.000 2.042 377 L HA -0.141 4.202 4.340 0.005 0.000 0.210 377 L C 2.630 179.602 176.870 0.171 0.000 1.076 377 L CA 2.065 57.063 54.840 0.263 0.000 0.749 377 L CB -1.667 40.464 42.059 0.120 0.000 0.893 377 L HN 0.242 nan 8.230 nan 0.000 0.432 378 G N -2.081 106.759 108.800 0.067 0.000 2.476 378 G HA2 -0.362 3.601 3.960 0.005 0.000 0.218 378 G HA3 -0.362 3.601 3.960 0.005 0.000 0.218 378 G C 1.734 176.622 174.900 -0.020 0.000 1.164 378 G CA 1.484 46.591 45.100 0.011 0.000 0.768 378 G HN 0.391 nan 8.290 nan 0.000 0.560 379 T N -0.458 114.054 114.554 -0.069 0.000 2.821 379 T HA -0.046 4.308 4.350 0.005 0.000 0.267 379 T C 2.096 176.698 174.700 -0.163 0.000 1.046 379 T CA 1.158 63.155 62.100 -0.172 0.000 1.139 379 T CB -0.366 68.350 68.868 -0.253 0.000 0.871 379 T HN 0.240 nan 8.240 nan 0.000 0.454 380 F N 1.360 121.263 119.950 -0.078 0.000 2.091 380 F HA -0.031 4.498 4.527 0.005 0.000 0.299 380 F C 2.713 178.478 175.800 -0.058 0.000 1.103 380 F CA 1.309 59.276 58.000 -0.055 0.000 1.228 380 F CB -0.755 38.225 39.000 -0.033 0.000 0.984 380 F HN 0.315 nan 8.300 nan 0.000 0.477 381 G N -0.266 108.615 108.800 0.134 0.000 2.440 381 G HA2 -0.225 3.738 3.960 0.005 0.000 0.218 381 G HA3 -0.225 3.738 3.960 0.005 0.000 0.218 381 G C 1.674 176.565 174.900 -0.016 0.000 1.154 381 G CA 1.274 46.405 45.100 0.052 0.000 0.767 381 G HN 0.269 nan 8.290 nan 0.000 0.552 382 V N 1.093 120.950 119.914 -0.095 0.000 2.295 382 V HA -0.155 3.969 4.120 0.005 0.000 0.246 382 V C 2.893 178.813 176.094 -0.290 0.000 1.049 382 V CA 1.482 63.646 62.300 -0.227 0.000 1.024 382 V CB -0.678 30.943 31.823 -0.337 0.000 0.648 382 V HN 0.338 nan 8.190 nan 0.000 0.447 383 L N 0.391 121.469 121.223 -0.242 0.000 1.971 383 L HA -0.270 4.073 4.340 0.005 0.000 0.215 383 L C 2.881 179.724 176.870 -0.045 0.000 1.072 383 L CA 1.989 56.710 54.840 -0.199 0.000 0.758 383 L CB -1.066 40.977 42.059 -0.026 0.000 0.889 383 L HN 0.382 nan 8.230 nan 0.000 0.433 384 A N 0.026 122.871 122.820 0.042 0.000 1.896 384 A HA -0.342 3.981 4.320 0.005 0.000 0.220 384 A C 2.516 180.143 177.584 0.072 0.000 1.206 384 A CA 2.612 54.695 52.037 0.076 0.000 0.647 384 A CB -1.048 17.995 19.000 0.071 0.000 0.828 384 A HN 0.503 nan 8.150 nan 0.000 0.455 385 A N -1.536 121.317 122.820 0.056 0.000 1.892 385 A HA -0.075 4.248 4.320 0.005 0.000 0.218 385 A C 1.834 179.543 177.584 0.208 0.000 1.188 385 A CA 1.794 53.901 52.037 0.116 0.000 0.631 385 A CB -0.755 18.317 19.000 0.121 0.000 0.822 385 A HN 0.492 nan 8.150 nan 0.000 0.447 386 F N -0.141 119.693 119.950 -0.194 0.000 2.802 386 F HA 0.278 4.808 4.527 0.005 0.000 0.300 386 F C 1.807 177.565 175.800 -0.070 0.000 1.168 386 F CA 0.113 57.959 58.000 -0.257 0.000 1.433 386 F CB -0.833 37.768 39.000 -0.664 0.000 1.115 386 F HN 0.394 nan 8.300 nan 0.000 0.582 387 G N 0.462 109.373 108.800 0.185 0.000 2.324 387 G HA2 -0.278 3.685 3.960 0.005 0.000 0.292 387 G HA3 -0.278 3.685 3.960 0.005 0.000 0.292 387 G C -0.073 175.119 174.900 0.487 0.000 1.079 387 G CA -0.287 44.959 45.100 0.245 0.000 1.026 387 G HN 0.089 nan 8.290 nan 0.000 0.506 388 F N 0.168 120.179 119.950 0.102 0.000 2.544 388 F HA 0.881 5.411 4.527 0.005 0.000 0.378 388 F C 1.064 176.904 175.800 0.066 0.000 1.112 388 F CA -1.182 56.866 58.000 0.080 0.000 1.115 388 F CB 1.420 40.462 39.000 0.070 0.000 1.436 388 F HN 0.489 nan 8.300 nan 0.000 0.496 389 S N -0.669 115.175 115.700 0.240 0.000 2.740 389 S HA 0.642 5.115 4.470 0.005 0.000 0.300 389 S C -0.677 174.004 174.600 0.135 0.000 1.147 389 S CA -0.847 57.441 58.200 0.146 0.000 0.871 389 S CB 1.508 64.754 63.200 0.076 0.000 1.173 389 S HN 0.351 nan 8.310 nan 0.000 0.510 390 I N 2.861 123.499 120.570 0.112 0.000 2.213 390 I HA 0.167 4.340 4.170 0.005 0.000 0.295 390 I C -0.157 175.969 176.117 0.015 0.000 1.172 390 I CA -0.480 60.885 61.300 0.108 0.000 1.443 390 I CB -1.136 36.950 38.000 0.144 0.000 1.491 390 I HN 0.453 nan 8.210 nan 0.000 0.652 391 N N 2.413 121.102 118.700 -0.019 0.000 2.322 391 N HA 0.111 4.855 4.740 0.005 0.000 0.270 391 N C 1.497 176.885 175.510 -0.203 0.000 1.286 391 N CA -0.095 52.890 53.050 -0.108 0.000 0.948 391 N CB 0.237 38.679 38.487 -0.075 0.000 1.164 391 N HN 0.420 nan 8.380 nan 0.000 0.551 392 T N -2.580 111.757 114.554 -0.362 0.000 3.054 392 T HA 0.105 4.458 4.350 0.005 0.000 0.259 392 T C 1.669 175.982 174.700 -0.645 0.000 1.092 392 T CA 0.145 61.879 62.100 -0.610 0.000 1.121 392 T CB -0.024 68.403 68.868 -0.736 0.000 0.912 392 T HN 0.125 nan 8.240 nan 0.000 0.489 393 L N 2.630 123.751 121.223 -0.170 0.000 1.988 393 L HA -0.018 4.325 4.340 0.005 0.000 0.207 393 L C 3.195 180.197 176.870 0.220 0.000 1.071 393 L CA 2.593 57.532 54.840 0.166 0.000 0.744 393 L CB -1.790 40.403 42.059 0.223 0.000 0.893 393 L HN 0.595 nan 8.230 nan 0.000 0.433 394 T N -3.478 111.119 114.554 0.073 0.000 2.833 394 T HA -0.194 4.159 4.350 0.005 0.000 0.269 394 T C 1.896 176.568 174.700 -0.047 0.000 1.054 394 T CA 0.829 62.937 62.100 0.012 0.000 1.135 394 T CB -0.157 68.720 68.868 0.015 0.000 0.869 394 T HN 0.009 nan 8.240 nan 0.000 0.466 395 M N 0.269 119.832 119.600 -0.061 0.000 2.229 395 M HA 0.216 4.699 4.480 0.005 0.000 0.264 395 M C 1.995 178.380 176.300 0.142 0.000 1.063 395 M CA 0.928 56.209 55.300 -0.032 0.000 1.114 395 M CB -1.140 31.402 32.600 -0.097 0.000 1.387 395 M HN 0.389 nan 8.290 nan 0.000 0.420 396 F N -0.497 119.534 119.950 0.134 0.000 2.163 396 F HA -0.061 4.469 4.527 0.005 0.000 0.297 396 F C 2.464 178.397 175.800 0.221 0.000 1.094 396 F CA 0.462 58.594 58.000 0.219 0.000 1.290 396 F CB -0.730 38.486 39.000 0.361 0.000 1.017 396 F HN 0.241 nan 8.300 nan 0.000 0.483 397 G N 0.888 109.852 108.800 0.273 0.000 2.529 397 G HA2 -0.317 3.646 3.960 0.005 0.000 0.219 397 G HA3 -0.317 3.646 3.960 0.005 0.000 0.219 397 G C 1.587 176.376 174.900 -0.185 0.000 1.177 397 G CA 1.159 46.056 45.100 -0.337 0.000 0.773 397 G HN 0.205 nan 8.290 nan 0.000 0.573 398 M N -0.185 119.340 119.600 -0.125 0.000 2.086 398 M HA -0.048 4.435 4.480 0.005 0.000 0.261 398 M C 2.743 179.035 176.300 -0.013 0.000 1.067 398 M CA 1.381 56.608 55.300 -0.123 0.000 1.116 398 M CB -0.682 31.805 32.600 -0.188 0.000 1.348 398 M HN 0.176 nan 8.290 nan 0.000 0.407 399 V N 1.236 121.191 119.914 0.068 0.000 2.332 399 V HA -0.234 3.889 4.120 0.005 0.000 0.248 399 V C 2.123 178.280 176.094 0.105 0.000 1.055 399 V CA 1.723 64.076 62.300 0.088 0.000 1.038 399 V CB -0.375 31.517 31.823 0.115 0.000 0.651 399 V HN 0.448 nan 8.190 nan 0.000 0.450 400 L N 0.091 121.404 121.223 0.150 0.000 2.083 400 L HA -0.127 4.216 4.340 0.005 0.000 0.209 400 L C 2.806 179.790 176.870 0.191 0.000 1.083 400 L CA 1.787 56.770 54.840 0.240 0.000 0.752 400 L CB -0.894 41.353 42.059 0.315 0.000 0.899 400 L HN 0.505 nan 8.230 nan 0.000 0.433 401 A N 0.031 122.869 122.820 0.030 0.000 2.015 401 A HA -0.154 4.169 4.320 0.005 0.000 0.219 401 A C 2.146 179.733 177.584 0.005 0.000 1.163 401 A CA 0.981 52.990 52.037 -0.046 0.000 0.646 401 A CB -0.507 18.412 19.000 -0.136 0.000 0.806 401 A HN 0.356 nan 8.150 nan 0.000 0.448 402 I N -0.228 120.370 120.570 0.047 0.000 2.248 402 I HA -0.269 3.904 4.170 0.005 0.000 0.248 402 I C 2.515 178.684 176.117 0.086 0.000 1.107 402 I CA 1.513 62.846 61.300 0.056 0.000 1.373 402 I CB -0.693 37.346 38.000 0.065 0.000 1.055 402 I HN 0.436 nan 8.210 nan 0.000 0.418 403 G N 0.182 109.093 108.800 0.184 0.000 2.650 403 G HA2 -0.006 3.957 3.960 0.005 0.000 0.214 403 G HA3 -0.006 3.957 3.960 0.005 0.000 0.214 403 G C 1.618 176.550 174.900 0.053 0.000 1.136 403 G CA 0.071 45.325 45.100 0.256 0.000 0.789 403 G HN 0.252 nan 8.290 nan 0.000 0.536 404 L N 0.609 121.808 121.223 -0.039 0.000 2.286 404 L HA 0.158 4.501 4.340 0.005 0.000 0.203 404 L C 2.700 179.519 176.870 -0.084 0.000 1.068 404 L CA 0.203 54.965 54.840 -0.129 0.000 0.811 404 L CB -0.435 41.526 42.059 -0.164 0.000 0.989 404 L HN 0.188 nan 8.230 nan 0.000 0.467 405 L N -0.728 120.457 121.223 -0.063 0.000 2.083 405 L HA -0.063 4.280 4.340 0.005 0.000 0.209 405 L C 2.265 179.102 176.870 -0.055 0.000 1.083 405 L CA 1.598 56.399 54.840 -0.064 0.000 0.752 405 L CB -1.745 40.276 42.059 -0.064 0.000 0.899 405 L HN 0.039 nan 8.230 nan 0.000 0.433 406 V N 1.332 121.224 119.914 -0.037 0.000 2.720 406 V HA -0.233 3.891 4.120 0.005 0.000 0.256 406 V C 2.341 178.404 176.094 -0.052 0.000 1.082 406 V CA 1.723 64.003 62.300 -0.034 0.000 1.101 406 V CB -1.031 30.786 31.823 -0.011 0.000 0.693 406 V HN 0.332 nan 8.190 nan 0.000 0.479 407 D N 0.679 121.042 120.400 -0.061 0.000 2.106 407 D HA -0.190 4.454 4.640 0.005 0.000 0.191 407 D C 1.891 178.148 176.300 -0.071 0.000 0.997 407 D CA 1.802 55.758 54.000 -0.074 0.000 0.834 407 D CB -0.263 40.486 40.800 -0.085 0.000 0.956 407 D HN 0.465 nan 8.370 nan 0.000 0.448 408 D N -0.503 119.856 120.400 -0.069 0.000 2.117 408 D HA -0.014 4.630 4.640 0.005 0.000 0.198 408 D C 1.949 178.209 176.300 -0.066 0.000 0.982 408 D CA 1.342 55.303 54.000 -0.066 0.000 0.828 408 D CB -0.324 40.435 40.800 -0.068 0.000 0.967 408 D HN 0.168 nan 8.370 nan 0.000 0.464 409 A N 0.903 123.682 122.820 -0.069 0.000 1.908 409 A HA -0.183 4.141 4.320 0.005 0.000 0.218 409 A C 2.105 179.651 177.584 -0.065 0.000 1.181 409 A CA 0.930 52.925 52.037 -0.070 0.000 0.627 409 A CB -0.624 18.336 19.000 -0.068 0.000 0.818 409 A HN 0.135 nan 8.150 nan 0.000 0.445 410 I N 0.042 120.573 120.570 -0.066 0.000 2.151 410 I HA -0.228 3.945 4.170 0.005 0.000 0.243 410 I C 2.564 178.643 176.117 -0.063 0.000 1.080 410 I CA 1.423 62.680 61.300 -0.071 0.000 1.339 410 I CB -1.408 36.542 38.000 -0.082 0.000 1.039 410 I HN 0.174 nan 8.210 nan 0.000 0.409 411 V N 0.573 120.453 119.914 -0.058 0.000 2.252 411 V HA -0.292 3.831 4.120 0.005 0.000 0.249 411 V C 2.673 178.745 176.094 -0.036 0.000 1.056 411 V CA 1.705 63.980 62.300 -0.043 0.000 1.022 411 V CB -0.853 30.948 31.823 -0.037 0.000 0.641 411 V HN 0.187 nan 8.190 nan 0.000 0.445 412 V N -0.067 119.821 119.914 -0.043 0.000 2.231 412 V HA -0.280 3.843 4.120 0.005 0.000 0.248 412 V C 2.447 178.518 176.094 -0.039 0.000 1.054 412 V CA 2.353 64.629 62.300 -0.040 0.000 1.015 412 V CB -0.632 31.161 31.823 -0.050 0.000 0.638 412 V HN 0.430 nan 8.190 nan 0.000 0.444 413 V N -0.378 119.508 119.914 -0.047 0.000 2.380 413 V HA -0.324 3.799 4.120 0.005 0.000 0.251 413 V C 2.343 178.411 176.094 -0.043 0.000 1.063 413 V CA 2.296 64.568 62.300 -0.047 0.000 1.055 413 V CB -0.783 31.006 31.823 -0.056 0.000 0.657 413 V HN 0.631 nan 8.190 nan 0.000 0.455 414 E N -0.037 120.138 120.200 -0.042 0.000 2.072 414 E HA -0.164 4.189 4.350 0.005 0.000 0.190 414 E C 2.128 178.715 176.600 -0.021 0.000 0.982 414 E CA 1.191 57.570 56.400 -0.035 0.000 0.803 414 E CB -0.155 29.523 29.700 -0.036 0.000 0.755 414 E HN 0.625 nan 8.360 nan 0.000 0.453 415 N N 0.212 118.903 118.700 -0.016 0.000 2.025 415 N HA -0.167 4.576 4.740 0.005 0.000 0.194 415 N C 1.822 177.323 175.510 -0.015 0.000 1.044 415 N CA 1.272 54.316 53.050 -0.009 0.000 0.851 415 N CB -0.329 38.153 38.487 -0.008 0.000 1.036 415 N HN -0.085 nan 8.380 nan 0.000 0.422 416 V N 0.820 120.723 119.914 -0.019 0.000 2.311 416 V HA -0.307 3.816 4.120 0.005 0.000 0.256 416 V C 2.195 178.277 176.094 -0.020 0.000 1.077 416 V CA 2.052 64.341 62.300 -0.019 0.000 1.067 416 V CB -0.599 31.210 31.823 -0.022 0.000 0.659 416 V HN 0.370 nan 8.190 nan 0.000 0.451 417 E N 0.098 120.283 120.200 -0.024 0.000 2.072 417 E HA -0.206 4.147 4.350 0.005 0.000 0.191 417 E C 2.216 178.803 176.600 -0.021 0.000 0.985 417 E CA 1.413 57.797 56.400 -0.027 0.000 0.801 417 E CB -0.116 29.561 29.700 -0.037 0.000 0.750 417 E HN 0.778 nan 8.360 nan 0.000 0.452 418 R N -0.130 120.360 120.500 -0.016 0.000 2.062 418 R HA -0.030 4.313 4.340 0.005 0.000 0.226 418 R C 2.342 178.635 176.300 -0.010 0.000 1.125 418 R CA 1.390 57.484 56.100 -0.010 0.000 0.966 418 R CB -1.658 28.640 30.300 -0.003 0.000 0.861 418 R HN 0.191 nan 8.270 nan 0.000 0.433 419 V N -1.338 118.569 119.914 -0.011 0.000 2.867 419 V HA -0.058 4.065 4.120 0.005 0.000 0.260 419 V C 2.063 178.150 176.094 -0.011 0.000 1.099 419 V CA 1.845 64.138 62.300 -0.011 0.000 1.122 419 V CB -0.624 31.192 31.823 -0.012 0.000 0.708 419 V HN 0.340 nan 8.190 nan 0.000 0.490 420 M N 0.005 119.598 119.600 -0.012 0.000 2.419 420 M HA 0.182 4.665 4.480 0.005 0.000 0.264 420 M C 2.039 178.332 176.300 -0.011 0.000 1.082 420 M CA 1.493 56.786 55.300 -0.012 0.000 1.119 420 M CB -0.026 32.565 32.600 -0.015 0.000 1.398 420 M HN 0.529 nan 8.290 nan 0.000 0.453 421 A N -0.729 122.084 122.820 -0.011 0.000 2.085 421 A HA 0.047 4.370 4.320 0.005 0.000 0.208 421 A C 1.686 179.266 177.584 -0.007 0.000 1.191 421 A CA 0.347 52.378 52.037 -0.010 0.000 0.799 421 A CB -0.196 18.798 19.000 -0.011 0.000 0.877 421 A HN 0.460 nan 8.150 nan 0.000 0.473 422 E N -0.108 120.088 120.200 -0.007 0.000 2.274 422 E HA -0.098 4.255 4.350 0.005 0.000 0.194 422 E C 0.747 177.343 176.600 -0.007 0.000 0.996 422 E CA 1.101 57.497 56.400 -0.007 0.000 0.840 422 E CB 0.046 29.740 29.700 -0.008 0.000 0.772 422 E HN 0.708 nan 8.360 nan 0.000 0.491 423 E N -1.434 118.762 120.200 -0.007 0.000 2.702 423 E HA 0.125 4.478 4.350 0.005 0.000 0.225 423 E C 0.635 177.232 176.600 -0.006 0.000 0.942 423 E CA 0.240 56.636 56.400 -0.006 0.000 1.210 423 E CB 1.517 31.213 29.700 -0.007 0.000 1.143 423 E HN 0.240 nan 8.360 nan 0.000 0.544 424 G N 2.018 110.814 108.800 -0.006 0.000 2.200 424 G HA2 -0.304 3.660 3.960 0.005 0.000 0.267 424 G HA3 -0.304 3.660 3.960 0.005 0.000 0.267 424 G C 0.296 175.193 174.900 -0.005 0.000 0.993 424 G CA 0.360 45.456 45.100 -0.006 0.000 0.701 424 G HN 0.082 nan 8.290 nan 0.000 0.524 425 L N 1.262 122.481 121.223 -0.006 0.000 2.492 425 L HA 0.409 4.753 4.340 0.005 0.000 0.280 425 L C 1.661 178.527 176.870 -0.005 0.000 1.240 425 L CA 0.447 55.284 54.840 -0.005 0.000 0.831 425 L CB 0.458 42.514 42.059 -0.006 0.000 1.100 425 L HN 0.582 nan 8.230 nan 0.000 0.505 426 S N 1.634 117.332 115.700 -0.004 0.000 2.600 426 S HA 0.284 4.757 4.470 0.005 0.000 0.265 426 S C -1.840 172.758 174.600 -0.004 0.000 1.325 426 S CA -0.930 57.269 58.200 -0.003 0.000 1.002 426 S CB 0.480 63.679 63.200 -0.001 0.000 0.921 426 S HN 0.509 nan 8.310 nan 0.000 0.554 427 P HA -0.145 nan 4.420 nan 0.000 0.215 427 P C 1.716 179.015 177.300 -0.002 0.000 1.157 427 P CA 1.233 64.331 63.100 -0.004 0.000 0.874 427 P CB -0.003 31.697 31.700 -0.001 0.000 0.790 428 R N -0.300 120.201 120.500 0.002 0.000 2.091 428 R HA -0.172 4.171 4.340 0.005 0.000 0.238 428 R C 2.119 178.420 176.300 0.001 0.000 1.136 428 R CA 1.415 57.517 56.100 0.003 0.000 0.959 428 R CB -0.372 29.931 30.300 0.005 0.000 0.856 428 R HN 0.095 nan 8.270 nan 0.000 0.437 429 E N 0.037 120.237 120.200 0.000 0.000 2.072 429 E HA -0.078 4.275 4.350 0.005 0.000 0.190 429 E C 1.824 178.422 176.600 -0.003 0.000 0.982 429 E CA 1.143 57.542 56.400 -0.000 0.000 0.803 429 E CB -0.233 29.466 29.700 -0.001 0.000 0.755 429 E HN 0.388 nan 8.360 nan 0.000 0.453 430 A N 1.384 124.201 122.820 -0.005 0.000 1.940 430 A HA -0.159 4.164 4.320 0.005 0.000 0.219 430 A C 2.390 179.970 177.584 -0.007 0.000 1.176 430 A CA 2.200 54.233 52.037 -0.007 0.000 0.631 430 A CB -0.575 18.420 19.000 -0.009 0.000 0.814 430 A HN 0.267 nan 8.150 nan 0.000 0.446 431 A N -0.391 122.426 122.820 -0.006 0.000 1.877 431 A HA -0.152 4.171 4.320 0.005 0.000 0.216 431 A C 2.251 179.834 177.584 -0.002 0.000 1.186 431 A CA 1.569 53.603 52.037 -0.006 0.000 0.620 431 A CB -0.474 18.523 19.000 -0.005 0.000 0.822 431 A HN 0.542 nan 8.150 nan 0.000 0.443 432 R N -0.351 120.150 120.500 0.002 0.000 2.082 432 R HA -0.126 4.217 4.340 0.005 0.000 0.234 432 R C 2.205 178.507 176.300 0.002 0.000 1.136 432 R CA 1.661 57.765 56.100 0.006 0.000 0.935 432 R CB -0.240 30.064 30.300 0.007 0.000 0.842 432 R HN 0.311 nan 8.270 nan 0.000 0.430 433 K N 0.413 120.812 120.400 -0.002 0.000 2.057 433 K HA -0.107 4.216 4.320 0.005 0.000 0.207 433 K C 2.222 178.818 176.600 -0.008 0.000 1.049 433 K CA 1.917 58.201 56.287 -0.005 0.000 0.931 433 K CB -0.480 32.016 32.500 -0.007 0.000 0.714 433 K HN 0.269 nan 8.250 nan 0.000 0.440 434 S N 1.081 116.776 115.700 -0.008 0.000 2.345 434 S HA -0.095 4.379 4.470 0.005 0.000 0.220 434 S C 2.079 176.673 174.600 -0.010 0.000 1.031 434 S CA 0.883 59.076 58.200 -0.011 0.000 0.996 434 S CB -0.238 62.955 63.200 -0.012 0.000 0.882 434 S HN 0.014 nan 8.310 nan 0.000 0.445 435 M N 2.323 121.918 119.600 -0.007 0.000 2.192 435 M HA -0.023 4.460 4.480 0.005 0.000 0.259 435 M C 2.299 178.597 176.300 -0.004 0.000 1.071 435 M CA 1.332 56.629 55.300 -0.005 0.000 1.082 435 M CB -2.353 30.248 32.600 0.002 0.000 1.373 435 M HN 0.582 nan 8.290 nan 0.000 0.408 436 G N 0.816 109.614 108.800 -0.003 0.000 2.587 436 G HA2 -0.186 3.777 3.960 0.005 0.000 0.217 436 G HA3 -0.186 3.777 3.960 0.005 0.000 0.217 436 G C 0.746 175.640 174.900 -0.011 0.000 1.240 436 G CA 0.492 45.589 45.100 -0.005 0.000 0.794 436 G HN 0.628 nan 8.290 nan 0.000 0.580 437 Q N 0.186 119.978 119.800 -0.014 0.000 2.535 437 Q HA 0.297 4.640 4.340 0.005 0.000 0.228 437 Q C 1.184 177.175 176.000 -0.016 0.000 1.062 437 Q CA 0.207 55.999 55.803 -0.019 0.000 0.967 437 Q CB 0.489 29.213 28.738 -0.023 0.000 1.273 437 Q HN 1.183 nan 8.270 nan 0.000 0.554 438 I N -4.732 115.828 120.570 -0.016 0.000 5.435 438 I HA -0.413 3.760 4.170 0.005 0.000 0.252 438 I C 1.110 177.217 176.117 -0.018 0.000 1.714 438 I CA 2.151 63.444 61.300 -0.012 0.000 1.669 438 I CB -1.832 36.167 38.000 -0.002 0.000 3.059 438 I HN 0.881 nan 8.210 nan 0.000 0.338 439 Q N 1.123 120.911 119.800 -0.019 0.000 2.230 439 Q HA 0.086 4.429 4.340 0.005 0.000 0.202 439 Q C 2.076 178.059 176.000 -0.027 0.000 0.963 439 Q CA 1.551 57.342 55.803 -0.021 0.000 0.866 439 Q CB -0.205 28.524 28.738 -0.014 0.000 0.931 439 Q HN 0.832 nan 8.270 nan 0.000 0.452 440 G N -0.903 107.879 108.800 -0.030 0.000 2.796 440 G HA2 0.103 4.066 3.960 0.005 0.000 0.210 440 G HA3 0.103 4.066 3.960 0.005 0.000 0.210 440 G C 1.176 176.050 174.900 -0.043 0.000 1.146 440 G CA 0.394 45.471 45.100 -0.039 0.000 0.779 440 G HN 0.351 nan 8.290 nan 0.000 0.535 441 A N 0.135 122.935 122.820 -0.033 0.000 2.209 441 A HA 0.292 4.615 4.320 0.005 0.000 0.212 441 A C 1.985 179.548 177.584 -0.036 0.000 1.158 441 A CA 0.779 52.799 52.037 -0.028 0.000 0.742 441 A CB -0.087 18.913 19.000 0.000 0.000 0.790 441 A HN 0.290 nan 8.150 nan 0.000 0.472 442 L N -1.764 119.436 121.223 -0.039 0.000 2.470 442 L HA 0.109 4.452 4.340 0.005 0.000 0.219 442 L C 2.065 178.904 176.870 -0.051 0.000 1.071 442 L CA 1.002 55.815 54.840 -0.046 0.000 0.850 442 L CB 0.156 42.188 42.059 -0.045 0.000 1.040 442 L HN 0.157 nan 8.230 nan 0.000 0.475 443 V N -1.220 118.664 119.914 -0.051 0.000 3.174 443 V HA 0.179 4.303 4.120 0.005 0.000 0.254 443 V C 2.205 178.264 176.094 -0.059 0.000 1.120 443 V CA 1.194 63.464 62.300 -0.051 0.000 1.114 443 V CB -0.364 31.432 31.823 -0.045 0.000 0.756 443 V HN 0.431 nan 8.190 nan 0.000 0.467 444 G N 1.445 110.203 108.800 -0.069 0.000 2.417 444 G HA2 -0.130 3.834 3.960 0.005 0.000 0.212 444 G HA3 -0.130 3.834 3.960 0.005 0.000 0.212 444 G C 1.551 176.392 174.900 -0.098 0.000 1.187 444 G CA 0.923 45.968 45.100 -0.091 0.000 0.804 444 G HN 0.580 nan 8.290 nan 0.000 0.534 445 I N -0.580 119.935 120.570 -0.092 0.000 2.361 445 I HA 0.036 4.209 4.170 0.005 0.000 0.251 445 I C 2.718 178.793 176.117 -0.070 0.000 1.133 445 I CA 1.575 62.821 61.300 -0.090 0.000 1.413 445 I CB -0.305 37.649 38.000 -0.076 0.000 1.073 445 I HN 0.135 nan 8.210 nan 0.000 0.424 446 A N 1.131 123.916 122.820 -0.059 0.000 1.930 446 A HA -0.124 4.199 4.320 0.005 0.000 0.217 446 A C 2.407 179.972 177.584 -0.032 0.000 1.175 446 A CA 1.867 53.878 52.037 -0.043 0.000 0.627 446 A CB -0.628 18.345 19.000 -0.045 0.000 0.815 446 A HN 0.585 nan 8.150 nan 0.000 0.443 447 M N -0.724 118.850 119.600 -0.044 0.000 2.229 447 M HA -0.087 4.396 4.480 0.005 0.000 0.264 447 M C 1.819 178.095 176.300 -0.040 0.000 1.063 447 M CA 1.294 56.571 55.300 -0.037 0.000 1.114 447 M CB -0.086 32.483 32.600 -0.051 0.000 1.387 447 M HN 0.210 nan 8.290 nan 0.000 0.420 448 V N 0.023 119.898 119.914 -0.064 0.000 2.302 448 V HA -0.226 3.898 4.120 0.005 0.000 0.243 448 V C 2.238 178.296 176.094 -0.061 0.000 1.036 448 V CA 1.319 63.575 62.300 -0.074 0.000 1.020 448 V CB -0.766 30.994 31.823 -0.105 0.000 0.657 448 V HN 0.520 nan 8.190 nan 0.000 0.453 449 L N 0.098 121.291 121.223 -0.049 0.000 2.263 449 L HA -0.163 4.181 4.340 0.005 0.000 0.216 449 L C 2.079 178.966 176.870 0.028 0.000 1.111 449 L CA 2.075 56.897 54.840 -0.030 0.000 0.773 449 L CB -0.705 41.350 42.059 -0.007 0.000 0.906 449 L HN 0.393 nan 8.230 nan 0.000 0.439 450 S N -0.531 115.201 115.700 0.053 0.000 2.486 450 S HA 0.143 4.616 4.470 0.005 0.000 0.220 450 S C 1.967 176.625 174.600 0.096 0.000 1.011 450 S CA 0.601 58.889 58.200 0.147 0.000 0.921 450 S CB 0.215 63.474 63.200 0.098 0.000 0.785 450 S HN 0.612 nan 8.310 nan 0.000 0.517 451 A N 1.128 123.952 122.820 0.007 0.000 2.067 451 A HA 0.010 4.333 4.320 0.005 0.000 0.219 451 A C 2.104 179.654 177.584 -0.056 0.000 1.158 451 A CA 0.910 52.946 52.037 -0.001 0.000 0.661 451 A CB -0.637 18.352 19.000 -0.018 0.000 0.801 451 A HN 0.337 nan 8.150 nan 0.000 0.452 452 V N -1.360 118.423 119.914 -0.217 0.000 2.343 452 V HA -0.253 3.870 4.120 0.005 0.000 0.247 452 V C 2.090 177.944 176.094 -0.400 0.000 1.051 452 V CA 2.152 64.193 62.300 -0.431 0.000 1.036 452 V CB -0.893 30.424 31.823 -0.845 0.000 0.654 452 V HN 0.666 nan 8.190 nan 0.000 0.451 453 F N -1.740 118.260 119.950 0.083 0.000 2.656 453 F HA 0.217 4.747 4.527 0.005 0.000 0.291 453 F C 1.992 177.872 175.800 0.132 0.000 1.122 453 F CA 0.140 58.204 58.000 0.106 0.000 1.427 453 F CB -0.272 38.781 39.000 0.088 0.000 1.125 453 F HN -0.019 nan 8.300 nan 0.000 0.583 454 L N 0.925 122.312 121.223 0.273 0.000 2.013 454 L HA -0.178 4.165 4.340 0.005 0.000 0.212 454 L C -0.335 176.766 176.870 0.385 0.000 1.073 454 L CA 1.858 56.875 54.840 0.295 0.000 0.753 454 L CB -1.755 40.452 42.059 0.245 0.000 0.890 454 L HN 0.074 nan 8.230 nan 0.000 0.432 455 P HA -0.204 nan 4.420 nan 0.000 0.216 455 P C 1.817 179.377 177.300 0.434 0.000 1.150 455 P CA 1.455 64.741 63.100 0.311 0.000 0.837 455 P CB 0.007 31.838 31.700 0.219 0.000 0.786 456 M N -0.660 119.174 119.600 0.391 0.000 2.226 456 M HA -0.284 4.199 4.480 0.005 0.000 0.257 456 M C 2.151 178.727 176.300 0.459 0.000 1.070 456 M CA 2.498 58.032 55.300 0.389 0.000 1.087 456 M CB -1.108 31.633 32.600 0.236 0.000 1.278 456 M HN -0.084 nan 8.290 nan 0.000 0.426 457 A N -0.326 122.645 122.820 0.252 0.000 2.009 457 A HA -0.223 4.100 4.320 0.005 0.000 0.222 457 A C 1.542 179.069 177.584 -0.096 0.000 1.175 457 A CA 1.890 53.936 52.037 0.016 0.000 0.651 457 A CB -1.210 17.632 19.000 -0.263 0.000 0.815 457 A HN 0.562 nan 8.150 nan 0.000 0.459 458 F N -1.861 118.140 119.950 0.085 0.000 2.664 458 F HA 0.338 4.868 4.527 0.005 0.000 0.301 458 F C 0.236 175.930 175.800 -0.176 0.000 1.126 458 F CA -0.405 57.553 58.000 -0.070 0.000 1.373 458 F CB -0.188 38.709 39.000 -0.173 0.000 1.042 458 F HN 0.029 nan 8.300 nan 0.000 0.535 459 F N -0.254 119.835 119.950 0.232 0.000 2.378 459 F HA 0.599 5.129 4.527 0.006 0.000 0.325 459 F C 1.125 176.999 175.800 0.125 0.000 1.097 459 F CA -0.746 57.370 58.000 0.193 0.000 1.079 459 F CB 0.594 39.757 39.000 0.272 0.000 1.240 459 F HN -0.118 nan 8.300 nan 0.000 0.519 460 G N -0.232 108.742 108.800 0.290 0.000 2.613 460 G HA2 0.536 4.499 3.960 0.005 0.000 0.303 460 G HA3 0.536 4.499 3.960 0.005 0.000 0.303 460 G C -0.102 174.834 174.900 0.061 0.000 1.312 460 G CA -0.320 44.860 45.100 0.134 0.000 1.036 460 G HN 1.083 nan 8.290 nan 0.000 0.513 461 G N -0.948 107.856 108.800 0.007 0.000 2.907 461 G HA2 -0.105 3.858 3.960 0.005 0.000 0.242 461 G HA3 -0.105 3.858 3.960 0.005 0.000 0.242 461 G C 1.245 176.098 174.900 -0.080 0.000 1.448 461 G CA 0.365 45.432 45.100 -0.054 0.000 0.911 461 G HN 1.306 nan 8.290 nan 0.000 0.553 462 S N -0.104 115.520 115.700 -0.125 0.000 2.407 462 S HA -0.245 4.228 4.470 0.005 0.000 0.235 462 S C 2.762 177.280 174.600 -0.137 0.000 1.036 462 S CA 3.167 61.298 58.200 -0.114 0.000 1.013 462 S CB -0.693 62.414 63.200 -0.155 0.000 0.820 462 S HN 1.552 nan 8.310 nan 0.000 0.476 463 T N 0.257 114.654 114.554 -0.262 0.000 2.674 463 T HA -0.045 4.308 4.350 0.005 0.000 0.265 463 T C 2.057 176.513 174.700 -0.407 0.000 1.039 463 T CA 1.321 63.201 62.100 -0.367 0.000 1.150 463 T CB -1.213 67.409 68.868 -0.410 0.000 0.864 463 T HN 0.403 nan 8.240 nan 0.000 0.427 464 G N 1.049 109.778 108.800 -0.118 0.000 2.442 464 G HA2 -0.154 3.810 3.960 0.005 0.000 0.219 464 G HA3 -0.154 3.810 3.960 0.005 0.000 0.219 464 G C 1.682 176.628 174.900 0.078 0.000 1.141 464 G CA 0.915 46.084 45.100 0.115 0.000 0.763 464 G HN 0.469 nan 8.290 nan 0.000 0.554 465 V N 1.537 121.451 119.914 -0.000 0.000 2.343 465 V HA -0.163 3.961 4.120 0.005 0.000 0.247 465 V C 2.814 178.900 176.094 -0.013 0.000 1.051 465 V CA 1.299 63.591 62.300 -0.013 0.000 1.036 465 V CB -0.296 31.509 31.823 -0.030 0.000 0.654 465 V HN 0.328 nan 8.190 nan 0.000 0.451 466 I N -1.010 119.534 120.570 -0.043 0.000 2.252 466 I HA -0.243 3.930 4.170 0.005 0.000 0.245 466 I C 2.415 178.588 176.117 0.092 0.000 1.102 466 I CA 1.941 63.223 61.300 -0.029 0.000 1.385 466 I CB -1.176 36.748 38.000 -0.127 0.000 1.064 466 I HN 0.357 nan 8.210 nan 0.000 0.414 467 Y N 0.981 121.335 120.300 0.090 0.000 2.070 467 Y HA -0.300 4.253 4.550 0.005 0.000 0.280 467 Y C 3.038 179.058 175.900 0.200 0.000 1.148 467 Y CA 1.297 59.484 58.100 0.146 0.000 1.125 467 Y CB -0.448 38.098 38.460 0.144 0.000 0.975 467 Y HN 0.055 nan 8.280 nan 0.000 0.492 468 R N 0.447 121.143 120.500 0.326 0.000 2.103 468 R HA -0.229 4.115 4.340 0.005 0.000 0.242 468 R C 2.247 178.711 176.300 0.273 0.000 1.142 468 R CA 1.872 58.121 56.100 0.248 0.000 0.960 468 R CB -0.121 30.279 30.300 0.166 0.000 0.858 468 R HN 0.404 nan 8.270 nan 0.000 0.439 469 Q N -0.654 119.239 119.800 0.155 0.000 2.050 469 Q HA -0.219 4.124 4.340 0.005 0.000 0.202 469 Q C 2.020 178.172 176.000 0.253 0.000 0.980 469 Q CA 1.639 57.531 55.803 0.149 0.000 0.840 469 Q CB -0.432 28.296 28.738 -0.017 0.000 0.898 469 Q HN 0.373 nan 8.270 nan 0.000 0.424 470 F N 1.428 121.457 119.950 0.132 0.000 2.113 470 F HA -0.178 4.352 4.527 0.005 0.000 0.297 470 F C 2.690 178.521 175.800 0.052 0.000 1.103 470 F CA 1.339 59.403 58.000 0.105 0.000 1.248 470 F CB -0.320 38.772 39.000 0.153 0.000 0.999 470 F HN 0.009 nan 8.300 nan 0.000 0.475 471 S N 0.962 116.820 115.700 0.263 0.000 2.482 471 S HA -0.287 4.186 4.470 0.005 0.000 0.226 471 S C 2.226 176.803 174.600 -0.039 0.000 1.048 471 S CA 2.404 60.696 58.200 0.155 0.000 1.158 471 S CB -0.998 62.351 63.200 0.248 0.000 1.130 471 S HN 0.452 nan 8.310 nan 0.000 0.413 472 I N 0.799 121.390 120.570 0.035 0.000 2.236 472 I HA -0.131 4.042 4.170 0.005 0.000 0.249 472 I C 2.339 178.328 176.117 -0.213 0.000 1.102 472 I CA 2.640 63.894 61.300 -0.077 0.000 1.365 472 I CB -1.647 36.324 38.000 -0.049 0.000 1.051 472 I HN 0.409 nan 8.210 nan 0.000 0.420 473 T N 1.111 115.553 114.554 -0.187 0.000 2.699 473 T HA -0.193 4.160 4.350 0.005 0.000 0.268 473 T C 1.832 176.295 174.700 -0.395 0.000 1.036 473 T CA 2.592 64.519 62.100 -0.289 0.000 1.147 473 T CB -0.524 68.188 68.868 -0.259 0.000 0.862 473 T HN 0.658 nan 8.240 nan 0.000 0.446 474 I N -0.378 119.877 120.570 -0.524 0.000 2.494 474 I HA 0.109 4.282 4.170 0.005 0.000 0.250 474 I C 2.484 178.368 176.117 -0.388 0.000 1.112 474 I CA 1.012 61.979 61.300 -0.554 0.000 1.438 474 I CB -1.049 36.427 38.000 -0.872 0.000 1.111 474 I HN 0.149 nan 8.210 nan 0.000 0.431 475 V N 2.632 122.361 119.914 -0.308 0.000 2.392 475 V HA -0.265 3.858 4.120 0.005 0.000 0.249 475 V C 2.778 178.784 176.094 -0.147 0.000 1.059 475 V CA 2.794 65.019 62.300 -0.124 0.000 1.051 475 V CB -0.802 31.022 31.823 0.001 0.000 0.658 475 V HN 0.786 nan 8.190 nan 0.000 0.455 476 S N 1.490 117.060 115.700 -0.216 0.000 2.345 476 S HA -0.063 4.410 4.470 0.005 0.000 0.220 476 S C 2.252 176.730 174.600 -0.203 0.000 1.031 476 S CA 1.437 59.497 58.200 -0.233 0.000 0.996 476 S CB -1.276 61.723 63.200 -0.334 0.000 0.882 476 S HN 1.191 nan 8.310 nan 0.000 0.445 477 A N 0.803 123.486 122.820 -0.229 0.000 2.139 477 A HA -0.010 4.313 4.320 0.005 0.000 0.221 477 A C 2.128 179.619 177.584 -0.156 0.000 1.159 477 A CA 1.854 53.772 52.037 -0.198 0.000 0.662 477 A CB -0.716 18.147 19.000 -0.228 0.000 0.796 477 A HN 0.534 nan 8.150 nan 0.000 0.463 478 M N -1.000 118.513 119.600 -0.146 0.000 2.276 478 M HA 0.262 4.745 4.480 0.005 0.000 0.262 478 M C 2.302 178.551 176.300 -0.085 0.000 1.098 478 M CA 1.291 56.530 55.300 -0.102 0.000 1.167 478 M CB -0.636 31.924 32.600 -0.067 0.000 1.337 478 M HN 0.337 nan 8.290 nan 0.000 0.446 479 A N 0.238 123.008 122.820 -0.084 0.000 1.873 479 A HA -0.201 4.122 4.320 0.005 0.000 0.218 479 A C 2.207 179.738 177.584 -0.089 0.000 1.193 479 A CA 1.911 53.901 52.037 -0.077 0.000 0.629 479 A CB -1.357 17.599 19.000 -0.075 0.000 0.826 479 A HN 0.523 nan 8.150 nan 0.000 0.447 480 L N -0.427 120.733 121.223 -0.104 0.000 2.043 480 L HA -0.239 4.104 4.340 0.005 0.000 0.212 480 L C 2.966 179.774 176.870 -0.103 0.000 1.075 480 L CA 1.806 56.582 54.840 -0.106 0.000 0.752 480 L CB -0.471 41.521 42.059 -0.113 0.000 0.891 480 L HN 0.584 nan 8.230 nan 0.000 0.432 481 S N -0.694 114.947 115.700 -0.099 0.000 2.383 481 S HA -0.154 4.319 4.470 0.005 0.000 0.229 481 S C 1.858 176.402 174.600 -0.093 0.000 1.030 481 S CA 1.475 59.619 58.200 -0.093 0.000 1.002 481 S CB -0.114 63.033 63.200 -0.087 0.000 0.829 481 S HN 0.228 nan 8.310 nan 0.000 0.467 482 V N 2.873 122.735 119.914 -0.087 0.000 2.221 482 V HA -0.123 4.000 4.120 0.005 0.000 0.242 482 V C 2.354 178.389 176.094 -0.098 0.000 1.041 482 V CA 1.921 64.171 62.300 -0.083 0.000 0.995 482 V CB -0.929 30.852 31.823 -0.069 0.000 0.635 482 V HN 0.729 nan 8.190 nan 0.000 0.448 483 I N 0.210 120.719 120.570 -0.102 0.000 2.300 483 I HA -0.245 3.929 4.170 0.005 0.000 0.252 483 I C 2.189 178.202 176.117 -0.174 0.000 1.119 483 I CA 1.777 63.002 61.300 -0.125 0.000 1.384 483 I CB -0.116 37.815 38.000 -0.115 0.000 1.062 483 I HN 0.156 nan 8.210 nan 0.000 0.426 484 V N 1.822 121.638 119.914 -0.163 0.000 2.307 484 V HA -0.212 3.911 4.120 0.005 0.000 0.245 484 V C 2.945 178.922 176.094 -0.194 0.000 1.045 484 V CA 1.862 64.045 62.300 -0.194 0.000 1.024 484 V CB -1.189 30.538 31.823 -0.161 0.000 0.651 484 V HN 0.618 nan 8.190 nan 0.000 0.449 485 A N -0.583 122.150 122.820 -0.146 0.000 2.070 485 A HA -0.089 4.234 4.320 0.005 0.000 0.220 485 A C 2.159 179.669 177.584 -0.123 0.000 1.159 485 A CA 1.522 53.484 52.037 -0.125 0.000 0.656 485 A CB -0.397 18.546 19.000 -0.095 0.000 0.800 485 A HN 0.539 nan 8.150 nan 0.000 0.453 486 L N -1.762 119.381 121.223 -0.133 0.000 2.168 486 L HA 0.031 4.374 4.340 0.005 0.000 0.203 486 L C 2.208 178.975 176.870 -0.172 0.000 1.078 486 L CA 0.460 55.234 54.840 -0.110 0.000 0.780 486 L CB -0.316 41.696 42.059 -0.078 0.000 0.939 486 L HN 0.261 nan 8.230 nan 0.000 0.451 487 I N -0.543 119.827 120.570 -0.334 0.000 2.270 487 I HA -0.179 3.994 4.170 0.005 0.000 0.239 487 I C 2.170 177.970 176.117 -0.528 0.000 1.080 487 I CA 1.298 62.193 61.300 -0.675 0.000 1.383 487 I CB -0.150 37.264 38.000 -0.976 0.000 1.097 487 I HN 0.045 nan 8.210 nan 0.000 0.420 488 L N -0.569 120.390 121.223 -0.441 0.000 2.168 488 L HA -0.101 4.242 4.340 0.005 0.000 0.203 488 L C 2.430 179.105 176.870 -0.325 0.000 1.078 488 L CA 1.128 55.698 54.840 -0.449 0.000 0.780 488 L CB -0.362 41.392 42.059 -0.509 0.000 0.939 488 L HN 0.274 nan 8.230 nan 0.000 0.451 489 T N 0.836 115.246 114.554 -0.239 0.000 2.622 489 T HA -0.128 4.225 4.350 0.005 0.000 0.266 489 T C -0.700 173.928 174.700 -0.120 0.000 1.047 489 T CA 1.680 63.682 62.100 -0.164 0.000 1.159 489 T CB -1.369 67.423 68.868 -0.126 0.000 0.863 489 T HN 0.269 nan 8.240 nan 0.000 0.422 490 P HA -0.028 nan 4.420 nan 0.000 0.214 490 P C 1.622 178.894 177.300 -0.047 0.000 1.163 490 P CA 1.463 64.529 63.100 -0.056 0.000 0.883 490 P CB -0.324 31.355 31.700 -0.034 0.000 0.788 491 A N -0.582 122.201 122.820 -0.060 0.000 1.917 491 A HA -0.223 4.100 4.320 0.005 0.000 0.219 491 A C 2.295 179.860 177.584 -0.032 0.000 1.182 491 A CA 1.721 53.735 52.037 -0.039 0.000 0.633 491 A CB -1.770 17.195 19.000 -0.058 0.000 0.819 491 A HN 0.115 nan 8.150 nan 0.000 0.448 492 L N -0.926 120.251 121.223 -0.077 0.000 1.994 492 L HA -0.273 4.071 4.340 0.005 0.000 0.208 492 L C 2.839 179.713 176.870 0.006 0.000 1.071 492 L CA 1.643 56.468 54.840 -0.024 0.000 0.745 492 L CB -0.774 41.246 42.059 -0.065 0.000 0.892 492 L HN 0.539 nan 8.230 nan 0.000 0.431 493 C N -0.228 119.062 119.300 -0.017 0.000 2.363 493 C HA -0.322 4.141 4.460 0.005 0.000 0.274 493 C C 3.111 178.102 174.990 0.002 0.000 1.183 493 C CA 0.939 59.951 59.018 -0.010 0.000 1.771 493 C CB -1.323 26.404 27.740 -0.022 0.000 2.059 493 C HN 0.681 nan 8.230 nan 0.000 0.455 494 A N 0.388 123.210 122.820 0.003 0.000 1.892 494 A HA -0.232 4.091 4.320 0.005 0.000 0.218 494 A C 2.204 179.802 177.584 0.023 0.000 1.188 494 A CA 2.912 54.956 52.037 0.011 0.000 0.631 494 A CB -1.130 17.877 19.000 0.011 0.000 0.822 494 A HN 0.730 nan 8.150 nan 0.000 0.447 495 T N -5.029 109.549 114.554 0.040 0.000 3.107 495 T HA 0.418 4.771 4.350 0.005 0.000 0.249 495 T C 1.205 175.942 174.700 0.061 0.000 1.096 495 T CA 0.971 63.105 62.100 0.057 0.000 1.012 495 T CB 0.164 69.086 68.868 0.090 0.000 0.977 495 T HN 0.333 nan 8.240 nan 0.000 0.527 496 M N -0.548 119.083 119.600 0.051 0.000 2.180 496 M HA 0.379 4.863 4.480 0.005 0.000 0.266 496 M C -0.610 175.711 176.300 0.035 0.000 1.200 496 M CA -0.281 55.053 55.300 0.056 0.000 1.101 496 M CB 0.727 33.376 32.600 0.083 0.000 1.769 496 M HN 0.107 nan 8.290 nan 0.000 0.609 497 L N 1.394 122.629 121.223 0.019 0.000 2.483 497 L HA -0.017 4.327 4.340 0.005 0.000 0.277 497 L C 0.841 177.712 176.870 0.003 0.000 1.248 497 L CA 1.502 56.344 54.840 0.004 0.000 0.825 497 L CB 0.367 42.422 42.059 -0.007 0.000 1.096 497 L HN 0.278 nan 8.230 nan 0.000 0.512 498 K N -0.806 119.591 120.400 -0.006 0.000 2.648 498 K HA 0.202 4.525 4.320 0.005 0.000 0.194 498 K C -1.527 175.065 176.600 -0.013 0.000 1.721 498 K CA -0.328 55.955 56.287 -0.007 0.000 1.183 498 K CB -0.181 32.315 32.500 -0.006 0.000 1.618 498 K HN 0.545 nan 8.250 nan 0.000 0.595 513 F N 1.934 121.787 119.950 -0.161 0.000 2.202 513 F HA 0.050 4.580 4.527 0.006 0.000 0.301 513 F C 2.553 178.285 175.800 -0.113 0.000 1.082 513 F CA 1.799 59.630 58.000 -0.282 0.000 1.313 513 F CB -1.011 37.927 39.000 -0.104 0.000 1.024 513 F HN 0.232 nan 8.300 nan 0.000 0.495 514 G N 0.280 109.190 108.800 0.183 0.000 2.459 514 G HA2 -0.310 3.653 3.960 0.005 0.000 0.217 514 G HA3 -0.310 3.653 3.960 0.005 0.000 0.217 514 G C 1.546 176.538 174.900 0.154 0.000 1.183 514 G CA 0.718 45.913 45.100 0.160 0.000 0.776 514 G HN 0.607 nan 8.290 nan 0.000 0.552 515 W N 0.629 121.944 121.300 0.024 0.000 2.317 515 W HA -0.179 4.484 4.660 0.005 0.000 0.318 515 W C 2.139 178.654 176.519 -0.007 0.000 1.227 515 W CA 1.398 58.757 57.345 0.023 0.000 1.269 515 W CB -0.719 28.784 29.460 0.072 0.000 1.155 515 W HN 0.201 nan 8.180 nan 0.000 0.484 516 F N 2.728 122.304 119.950 -0.623 0.000 2.026 516 F HA -0.323 4.206 4.527 0.005 0.000 0.296 516 F C 2.443 177.962 175.800 -0.468 0.000 1.133 516 F CA 2.782 60.321 58.000 -0.768 0.000 1.188 516 F CB -1.052 37.518 39.000 -0.717 0.000 0.968 516 F HN -0.159 nan 8.300 nan 0.000 0.476 517 N N 0.440 119.158 118.700 0.030 0.000 2.060 517 N HA -0.254 4.490 4.740 0.005 0.000 0.195 517 N C 2.051 177.514 175.510 -0.078 0.000 1.028 517 N CA 1.693 54.761 53.050 0.030 0.000 0.861 517 N CB -0.623 37.893 38.487 0.048 0.000 1.029 517 N HN 0.358 nan 8.380 nan 0.000 0.428 518 R N 0.463 120.893 120.500 -0.117 0.000 2.082 518 R HA -0.083 4.260 4.340 0.005 0.000 0.234 518 R C 2.349 178.485 176.300 -0.275 0.000 1.136 518 R CA 1.303 57.335 56.100 -0.113 0.000 0.935 518 R CB -0.341 29.942 30.300 -0.028 0.000 0.842 518 R HN 0.161 nan 8.270 nan 0.000 0.430 519 M N 0.007 119.220 119.600 -0.644 0.000 2.113 519 M HA -0.269 4.214 4.480 0.005 0.000 0.255 519 M C 1.940 177.883 176.300 -0.594 0.000 1.073 519 M CA 1.890 56.638 55.300 -0.919 0.000 1.091 519 M CB -0.681 30.831 32.600 -1.813 0.000 1.309 519 M HN 0.214 nan 8.290 nan 0.000 0.407 520 F N 0.319 119.830 119.950 -0.731 0.000 2.060 520 F HA -0.213 4.317 4.527 0.005 0.000 0.295 520 F C 2.185 177.817 175.800 -0.281 0.000 1.120 520 F CA 1.286 58.973 58.000 -0.523 0.000 1.205 520 F CB -0.400 38.300 39.000 -0.499 0.000 0.986 520 F HN 0.115 nan 8.300 nan 0.000 0.470 521 L N 0.304 121.566 121.223 0.064 0.000 2.275 521 L HA -0.141 4.203 4.340 0.005 0.000 0.215 521 L C 2.549 179.384 176.870 -0.060 0.000 1.119 521 L CA 2.021 56.870 54.840 0.014 0.000 0.790 521 L CB -1.355 40.733 42.059 0.048 0.000 0.919 521 L HN 0.443 nan 8.230 nan 0.000 0.443 522 S N -1.256 114.413 115.700 -0.051 0.000 2.348 522 S HA -0.198 4.275 4.470 0.005 0.000 0.221 522 S C 2.036 176.628 174.600 -0.014 0.000 1.033 522 S CA 1.736 59.949 58.200 0.022 0.000 1.010 522 S CB -0.893 62.274 63.200 -0.054 0.000 0.891 522 S HN 0.632 nan 8.310 nan 0.000 0.442 523 T N 1.497 115.942 114.554 -0.181 0.000 2.508 523 T HA -0.161 4.192 4.350 0.005 0.000 0.249 523 T C 2.084 176.699 174.700 -0.142 0.000 1.173 523 T CA 3.615 65.605 62.100 -0.183 0.000 1.275 523 T CB -2.076 66.599 68.868 -0.321 0.000 0.883 523 T HN 0.851 nan 8.240 nan 0.000 0.394 524 T N 1.251 115.640 114.554 -0.274 0.000 3.975 524 T HA -0.493 3.860 4.350 0.005 0.000 0.187 524 T C 1.569 176.241 174.700 -0.047 0.000 1.633 524 T CA 2.651 64.644 62.100 -0.178 0.000 1.110 524 T CB -2.324 66.391 68.868 -0.254 0.000 1.122 524 T HN 0.730 nan 8.240 nan 0.000 0.549 525 H N 2.105 121.185 119.070 0.016 0.000 2.297 525 H HA -0.128 4.432 4.556 0.005 0.000 0.289 525 H C 2.779 178.113 175.328 0.010 0.000 1.105 525 H CA 2.046 58.100 56.048 0.010 0.000 1.219 525 H CB -1.391 28.370 29.762 -0.002 0.000 1.351 525 H HN 0.702 nan 8.280 nan 0.000 0.481 526 G N 0.296 109.184 108.800 0.146 0.000 2.631 526 G HA2 -0.392 3.571 3.960 0.005 0.000 0.219 526 G HA3 -0.392 3.571 3.960 0.005 0.000 0.219 526 G C 1.702 176.679 174.900 0.128 0.000 1.214 526 G CA 1.371 46.535 45.100 0.106 0.000 0.785 526 G HN 0.586 nan 8.290 nan 0.000 0.596 527 Y N 1.526 121.828 120.300 0.004 0.000 2.062 527 Y HA -0.315 4.238 4.550 0.006 0.000 0.276 527 Y C 2.878 178.754 175.900 -0.040 0.000 1.189 527 Y CA 2.630 60.708 58.100 -0.035 0.000 1.130 527 Y CB -0.234 38.114 38.460 -0.186 0.000 0.959 527 Y HN 0.379 nan 8.280 nan 0.000 0.499 528 E N 0.030 120.109 120.200 -0.201 0.000 2.013 528 E HA -0.280 4.073 4.350 0.005 0.000 0.202 528 E C 2.234 178.730 176.600 -0.174 0.000 1.018 528 E CA 2.262 58.511 56.400 -0.251 0.000 0.834 528 E CB -0.262 29.396 29.700 -0.069 0.000 0.770 528 E HN 0.423 nan 8.360 nan 0.000 0.459 529 R N -0.195 120.267 120.500 -0.063 0.000 2.159 529 R HA -0.235 4.108 4.340 0.005 0.000 0.249 529 R C 2.367 178.625 176.300 -0.070 0.000 1.136 529 R CA 1.388 57.458 56.100 -0.050 0.000 0.951 529 R CB -1.124 29.170 30.300 -0.009 0.000 0.876 529 R HN 0.323 nan 8.270 nan 0.000 0.440 530 G N 1.043 109.837 108.800 -0.010 0.000 2.771 530 G HA2 -0.294 3.669 3.960 0.005 0.000 0.214 530 G HA3 -0.294 3.669 3.960 0.005 0.000 0.214 530 G C 1.520 176.388 174.900 -0.053 0.000 1.331 530 G CA 1.569 46.710 45.100 0.068 0.000 0.812 530 G HN 0.178 nan 8.290 nan 0.000 0.628 531 V N 2.103 121.905 119.914 -0.187 0.000 2.280 531 V HA -0.237 3.886 4.120 0.005 0.000 0.258 531 V C 2.933 178.872 176.094 -0.259 0.000 1.081 531 V CA 2.162 64.262 62.300 -0.333 0.000 1.070 531 V CB -1.601 29.821 31.823 -0.668 0.000 0.666 531 V HN 0.706 nan 8.190 nan 0.000 0.450 532 A N 0.006 122.693 122.820 -0.221 0.000 3.221 532 A HA 0.001 4.324 4.320 0.005 0.000 0.175 532 A C 2.218 179.685 177.584 -0.195 0.000 0.976 532 A CA 2.550 54.485 52.037 -0.171 0.000 1.205 532 A CB -1.126 17.797 19.000 -0.129 0.000 1.172 532 A HN 1.412 nan 8.150 nan 0.000 0.597 533 S N -0.226 115.362 115.700 -0.187 0.000 2.746 533 S HA -0.432 4.041 4.470 0.005 0.000 0.509 533 S C 1.714 176.154 174.600 -0.267 0.000 1.019 533 S CA 3.180 61.206 58.200 -0.290 0.000 3.072 533 S CB -2.136 60.870 63.200 -0.324 0.000 2.186 533 S HN 1.888 nan 8.310 nan 0.000 0.508 534 I N 1.595 121.968 120.570 -0.328 0.000 2.248 534 I HA -0.189 3.985 4.170 0.005 0.000 0.248 534 I C 2.516 178.421 176.117 -0.353 0.000 1.107 534 I CA 2.355 63.324 61.300 -0.552 0.000 1.373 534 I CB -0.338 36.914 38.000 -1.248 0.000 1.055 534 I HN 0.517 nan 8.210 nan 0.000 0.418 535 L N 1.705 122.764 121.223 -0.272 0.000 1.990 535 L HA -0.273 4.070 4.340 0.005 0.000 0.213 535 L C 2.667 179.484 176.870 -0.088 0.000 1.072 535 L CA 2.743 57.475 54.840 -0.179 0.000 0.755 535 L CB -0.553 41.418 42.059 -0.146 0.000 0.889 535 L HN 0.394 nan 8.230 nan 0.000 0.432 536 K N -3.479 116.902 120.400 -0.032 0.000 2.211 536 K HA -0.013 4.311 4.320 0.005 0.000 0.201 536 K C 1.975 178.678 176.600 0.171 0.000 1.052 536 K CA 0.815 57.137 56.287 0.059 0.000 0.973 536 K CB -0.389 32.159 32.500 0.080 0.000 0.766 536 K HN 0.217 nan 8.250 nan 0.000 0.466 537 H N 1.497 120.563 119.070 -0.006 0.000 2.436 537 H HA 0.068 4.627 4.556 0.005 0.000 0.294 537 H C 0.821 176.205 175.328 0.094 0.000 1.048 537 H CA 0.609 56.691 56.048 0.056 0.000 1.353 537 H CB -0.218 29.620 29.762 0.127 0.000 1.414 537 H HN 0.158 nan 8.280 nan 0.000 0.536 538 R N 1.205 121.836 120.500 0.219 0.000 2.903 538 R HA -0.025 4.318 4.340 0.005 0.000 0.277 538 R C 0.861 177.239 176.300 0.130 0.000 0.973 538 R CA 1.337 57.583 56.100 0.242 0.000 1.149 538 R CB -0.223 30.064 30.300 -0.022 0.000 1.068 538 R HN 0.400 nan 8.270 nan 0.000 0.470 539 A N -0.674 122.213 122.820 0.110 0.000 2.548 539 A HA -0.147 4.176 4.320 0.005 0.000 0.206 539 A C -1.283 176.324 177.584 0.039 0.000 0.644 539 A CA 0.424 52.498 52.037 0.060 0.000 1.642 539 A CB -2.185 16.832 19.000 0.029 0.000 1.176 539 A HN 0.622 nan 8.150 nan 0.000 0.667 540 P HA -0.097 nan 4.420 nan 0.000 0.215 540 P C 1.320 178.542 177.300 -0.130 0.000 1.153 540 P CA 1.802 64.824 63.100 -0.130 0.000 0.853 540 P CB -0.250 31.275 31.700 -0.292 0.000 0.788 541 Y N -1.316 118.959 120.300 -0.042 0.000 2.153 541 Y HA -0.075 4.478 4.550 0.005 0.000 0.289 541 Y C 1.986 177.932 175.900 0.076 0.000 1.127 541 Y CA 0.466 58.483 58.100 -0.138 0.000 1.131 541 Y CB -1.312 36.843 38.460 -0.509 0.000 0.995 541 Y HN -0.218 nan 8.280 nan 0.000 0.505 542 L N 0.464 121.801 121.223 0.189 0.000 2.740 542 L HA -0.139 4.204 4.340 0.005 0.000 0.242 542 L C 1.281 178.324 176.870 0.289 0.000 1.175 542 L CA 1.235 56.204 54.840 0.216 0.000 0.859 542 L CB -0.909 41.215 42.059 0.109 0.000 0.992 542 L HN 0.410 nan 8.230 nan 0.000 0.454 543 L N -4.421 116.973 121.223 0.286 0.000 2.806 543 L HA 0.294 4.637 4.340 0.005 0.000 0.242 543 L C 1.875 178.903 176.870 0.263 0.000 1.068 543 L CA 0.544 55.528 54.840 0.240 0.000 0.923 543 L CB -0.788 41.349 42.059 0.129 0.000 1.364 543 L HN -0.000 nan 8.230 nan 0.000 0.511 544 I N -0.524 120.228 120.570 0.303 0.000 2.454 544 I HA -0.260 3.913 4.170 0.005 0.000 0.254 544 I C 2.521 178.823 176.117 0.307 0.000 1.156 544 I CA 1.495 62.971 61.300 0.294 0.000 1.433 544 I CB -0.089 38.109 38.000 0.330 0.000 1.082 544 I HN 0.472 nan 8.210 nan 0.000 0.432 545 Y N 1.600 122.122 120.300 0.369 0.000 2.145 545 Y HA -0.234 4.319 4.550 0.005 0.000 0.286 545 Y C 2.290 178.255 175.900 0.107 0.000 1.145 545 Y CA 2.443 60.632 58.100 0.148 0.000 1.148 545 Y CB -0.574 38.172 38.460 0.477 0.000 0.981 545 Y HN 0.040 nan 8.280 nan 0.000 0.507 546 V N -0.821 119.242 119.914 0.248 0.000 2.469 546 V HA -0.305 3.818 4.120 0.005 0.000 0.251 546 V C 2.347 178.434 176.094 -0.013 0.000 1.064 546 V CA 1.591 63.952 62.300 0.101 0.000 1.066 546 V CB -0.958 30.965 31.823 0.166 0.000 0.667 546 V HN 0.381 nan 8.190 nan 0.000 0.461 547 V N -0.258 119.659 119.914 0.005 0.000 2.427 547 V HA -0.221 3.902 4.120 0.005 0.000 0.248 547 V C 2.156 178.201 176.094 -0.081 0.000 1.051 547 V CA 2.049 64.335 62.300 -0.025 0.000 1.048 547 V CB -0.310 31.514 31.823 0.002 0.000 0.666 547 V HN 0.456 nan 8.190 nan 0.000 0.456 548 I N -0.509 119.966 120.570 -0.159 0.000 2.252 548 I HA -0.187 3.987 4.170 0.005 0.000 0.245 548 I C 2.323 178.303 176.117 -0.228 0.000 1.102 548 I CA 1.144 62.312 61.300 -0.219 0.000 1.385 548 I CB -0.348 37.446 38.000 -0.343 0.000 1.064 548 I HN 0.152 nan 8.210 nan 0.000 0.414 549 V N 1.121 120.848 119.914 -0.310 0.000 2.469 549 V HA -0.298 3.825 4.120 0.005 0.000 0.251 549 V C 2.645 178.694 176.094 -0.074 0.000 1.064 549 V CA 1.932 64.103 62.300 -0.215 0.000 1.066 549 V CB -1.078 30.620 31.823 -0.208 0.000 0.667 549 V HN 0.486 nan 8.190 nan 0.000 0.461 550 A N 0.692 123.483 122.820 -0.050 0.000 1.840 550 A HA -0.009 4.315 4.320 0.005 0.000 0.214 550 A C 2.483 180.105 177.584 0.062 0.000 1.198 550 A CA 1.691 53.735 52.037 0.012 0.000 0.608 550 A CB -1.382 17.614 19.000 -0.006 0.000 0.839 550 A HN 0.490 nan 8.150 nan 0.000 0.443 551 G N -0.481 108.336 108.800 0.028 0.000 2.469 551 G HA2 -0.324 3.639 3.960 0.005 0.000 0.220 551 G HA3 -0.324 3.639 3.960 0.005 0.000 0.220 551 G C 1.633 176.585 174.900 0.086 0.000 1.136 551 G CA 1.429 46.583 45.100 0.089 0.000 0.759 551 G HN 0.503 nan 8.290 nan 0.000 0.562 552 M N 0.133 119.724 119.600 -0.015 0.000 2.126 552 M HA -0.046 4.437 4.480 0.005 0.000 0.259 552 M C 2.586 178.874 176.300 -0.019 0.000 1.073 552 M CA 1.702 56.947 55.300 -0.091 0.000 1.103 552 M CB -0.308 32.228 32.600 -0.106 0.000 1.284 552 M HN 0.226 nan 8.290 nan 0.000 0.420 553 I N -0.438 120.192 120.570 0.100 0.000 2.300 553 I HA -0.381 3.792 4.170 0.005 0.000 0.252 553 I C 2.380 178.633 176.117 0.227 0.000 1.119 553 I CA 1.803 63.224 61.300 0.202 0.000 1.384 553 I CB -0.783 37.314 38.000 0.163 0.000 1.062 553 I HN 0.709 nan 8.210 nan 0.000 0.426 554 W N 1.564 122.874 121.300 0.017 0.000 2.380 554 W HA -0.217 4.446 4.660 0.005 0.000 0.317 554 W C 2.463 178.986 176.519 0.006 0.000 1.196 554 W CA 1.061 58.412 57.345 0.010 0.000 1.307 554 W CB -0.193 29.257 29.460 -0.016 0.000 1.157 554 W HN 0.019 nan 8.180 nan 0.000 0.483 555 M N 0.180 119.662 119.600 -0.196 0.000 2.346 555 M HA -0.226 4.257 4.480 0.005 0.000 0.263 555 M C 1.900 178.012 176.300 -0.314 0.000 1.064 555 M CA 1.453 56.542 55.300 -0.351 0.000 1.083 555 M CB -1.221 31.247 32.600 -0.219 0.000 1.399 555 M HN 0.002 nan 8.290 nan 0.000 0.435 556 F N 0.907 120.738 119.950 -0.199 0.000 2.171 556 F HA -0.171 4.359 4.527 0.005 0.000 0.300 556 F C 2.798 178.466 175.800 -0.221 0.000 1.090 556 F CA 1.933 59.836 58.000 -0.161 0.000 1.293 556 F CB -1.179 37.774 39.000 -0.078 0.000 1.013 556 F HN 0.274 nan 8.300 nan 0.000 0.486 557 T N -2.534 111.956 114.554 -0.108 0.000 3.035 557 T HA -0.059 4.294 4.350 0.005 0.000 0.268 557 T C 1.544 176.053 174.700 -0.319 0.000 1.109 557 T CA 0.481 62.454 62.100 -0.212 0.000 1.119 557 T CB -0.313 68.398 68.868 -0.262 0.000 0.900 557 T HN 0.127 nan 8.240 nan 0.000 0.503 558 R N 0.538 120.778 120.500 -0.433 0.000 3.179 558 R HA 0.618 4.962 4.340 0.005 0.000 0.317 558 R C -0.851 175.315 176.300 -0.223 0.000 1.331 558 R CA -0.139 55.737 56.100 -0.372 0.000 1.184 558 R CB -0.207 29.792 30.300 -0.502 0.000 1.408 558 R HN 0.432 nan 8.270 nan 0.000 0.598 559 I N 0.458 120.927 120.570 -0.169 0.000 2.731 559 I HA 0.258 4.431 4.170 0.005 0.000 0.289 559 I C -2.651 173.402 176.117 -0.107 0.000 1.399 559 I CA -2.323 58.892 61.300 -0.141 0.000 1.048 559 I CB 3.019 40.912 38.000 -0.178 0.000 1.345 559 I HN -0.007 nan 8.210 nan 0.000 0.425 560 P HA 0.271 nan 4.420 nan 0.000 0.276 560 P C -1.082 176.186 177.300 -0.053 0.000 1.235 560 P CA -0.187 62.875 63.100 -0.063 0.000 0.772 560 P CB 0.617 32.288 31.700 -0.049 0.000 0.871 561 T N 2.140 116.674 114.554 -0.034 0.000 2.794 561 T HA 0.597 4.950 4.350 0.005 0.000 0.296 561 T C 0.109 174.818 174.700 0.015 0.000 0.949 561 T CA -0.164 61.929 62.100 -0.012 0.000 1.101 561 T CB 0.637 69.495 68.868 -0.016 0.000 0.905 561 T HN 0.505 nan 8.240 nan 0.000 0.516 562 A N 2.708 125.554 122.820 0.044 0.000 2.569 562 A HA 0.843 5.166 4.320 0.005 0.000 0.290 562 A C -1.680 175.990 177.584 0.144 0.000 1.136 562 A CA -0.933 51.153 52.037 0.081 0.000 0.710 562 A CB 1.544 20.579 19.000 0.060 0.000 1.303 562 A HN 0.798 nan 8.150 nan 0.000 0.413 563 F N 2.072 122.010 119.950 -0.020 0.000 2.610 563 F HA 0.616 5.147 4.527 0.006 0.000 0.355 563 F C -0.804 174.966 175.800 -0.052 0.000 1.140 563 F CA -0.750 57.213 58.000 -0.061 0.000 1.037 563 F CB 0.688 39.630 39.000 -0.097 0.000 1.287 563 F HN 0.493 nan 8.300 nan 0.000 0.457 564 L N 4.914 125.833 121.223 -0.507 0.000 2.445 564 L HA -0.122 4.221 4.340 0.005 0.000 0.598 564 L C -2.397 174.440 176.870 -0.054 0.000 1.000 564 L CA -0.164 54.454 54.840 -0.371 0.000 1.297 564 L CB -1.286 40.326 42.059 -0.746 0.000 1.925 564 L HN 0.507 nan 8.230 nan 0.000 0.950 565 P HA 0.183 nan 4.420 nan 0.000 0.271 565 P C -0.179 177.181 177.300 0.099 0.000 1.233 565 P CA -0.277 62.880 63.100 0.094 0.000 0.789 565 P CB 0.611 32.383 31.700 0.120 0.000 0.951 566 D N 1.261 121.705 120.400 0.073 0.000 2.345 566 D HA 0.193 4.836 4.640 0.005 0.000 0.247 566 D C 0.223 176.684 176.300 0.267 0.000 1.108 566 D CA 0.387 54.490 54.000 0.172 0.000 0.894 566 D CB 0.547 41.416 40.800 0.115 0.000 1.203 566 D HN 0.244 nan 8.370 nan 0.000 0.430 567 E N 0.874 121.338 120.200 0.441 0.000 2.277 567 E HA 0.071 4.424 4.350 0.005 0.000 0.266 567 E C 0.688 177.623 176.600 0.558 0.000 0.901 567 E CA -0.574 56.109 56.400 0.472 0.000 0.782 567 E CB 2.328 32.243 29.700 0.359 0.000 1.228 567 E HN 0.375 nan 8.360 nan 0.000 0.424 568 D N 1.410 122.148 120.400 0.564 0.000 2.106 568 D HA -0.210 4.434 4.640 0.005 0.000 0.194 568 D C 0.108 176.446 176.300 0.063 0.000 0.988 568 D CA 1.893 56.012 54.000 0.199 0.000 0.845 568 D CB 0.362 41.294 40.800 0.220 0.000 0.990 568 D HN 0.532 nan 8.370 nan 0.000 0.448 569 Q N -2.300 117.765 119.800 0.443 0.000 2.342 569 Q HA -0.215 4.129 4.340 0.005 0.000 0.196 569 Q C 0.947 176.972 176.000 0.042 0.000 0.629 569 Q CA 0.828 56.847 55.803 0.359 0.000 1.365 569 Q CB -1.825 27.044 28.738 0.219 0.000 1.406 569 Q HN 0.605 nan 8.270 nan 0.000 0.840 570 G N -0.563 107.984 108.800 -0.421 0.000 2.166 570 G HA2 -0.297 3.666 3.960 0.005 0.000 0.260 570 G HA3 -0.297 3.666 3.960 0.005 0.000 0.260 570 G C 0.104 174.874 174.900 -0.216 0.000 0.986 570 G CA 0.966 45.784 45.100 -0.471 0.000 0.683 570 G HN 1.139 nan 8.290 nan 0.000 0.527 571 V N -2.786 117.031 119.914 -0.161 0.000 2.876 571 V HA 0.942 5.065 4.120 0.005 0.000 0.312 571 V C -0.705 175.260 176.094 -0.215 0.000 1.085 571 V CA -1.367 60.879 62.300 -0.090 0.000 0.945 571 V CB 2.246 34.120 31.823 0.085 0.000 1.017 571 V HN 1.019 nan 8.190 nan 0.000 0.428 572 L N 3.904 125.004 121.223 -0.205 0.000 2.431 572 L HA 0.840 5.183 4.340 0.005 0.000 0.266 572 L C -1.376 175.382 176.870 -0.187 0.000 0.978 572 L CA -0.359 54.360 54.840 -0.202 0.000 0.822 572 L CB 1.937 43.953 42.059 -0.071 0.000 1.310 572 L HN 0.727 nan 8.230 nan 0.000 0.409 573 F N 2.722 122.765 119.950 0.155 0.000 2.440 573 F HA 0.843 5.374 4.527 0.007 0.000 0.328 573 F C 0.386 176.191 175.800 0.008 0.000 1.070 573 F CA -0.554 57.521 58.000 0.125 0.000 1.011 573 F CB 1.906 41.152 39.000 0.410 0.000 1.226 573 F HN 0.585 nan 8.300 nan 0.000 0.491 574 A N 1.984 124.847 122.820 0.073 0.000 2.411 574 A HA 0.583 4.906 4.320 0.005 0.000 0.285 574 A C -1.040 176.360 177.584 -0.306 0.000 1.129 574 A CA -0.611 51.324 52.037 -0.171 0.000 0.736 574 A CB 0.940 19.858 19.000 -0.136 0.000 1.186 574 A HN 0.664 nan 8.150 nan 0.000 0.445 575 Q N 1.314 120.858 119.800 -0.427 0.000 2.274 575 Q HA 0.597 4.940 4.340 0.005 0.000 0.256 575 Q C -1.127 174.689 176.000 -0.306 0.000 0.927 575 Q CA 0.030 55.610 55.803 -0.372 0.000 0.939 575 Q CB 1.333 29.843 28.738 -0.381 0.000 1.201 575 Q HN 0.535 nan 8.270 nan 0.000 0.426 576 V N 4.610 124.362 119.914 -0.271 0.000 2.525 576 V HA 0.404 4.527 4.120 0.005 0.000 0.299 576 V C -0.911 175.072 176.094 -0.187 0.000 1.034 576 V CA -0.669 61.486 62.300 -0.242 0.000 0.863 576 V CB 1.809 33.480 31.823 -0.253 0.000 0.999 576 V HN 0.776 nan 8.190 nan 0.000 0.423 577 Q N 2.501 122.209 119.800 -0.153 0.000 2.414 577 Q HA 0.404 4.747 4.340 0.005 0.000 0.256 577 Q C -0.575 175.366 176.000 -0.098 0.000 0.974 577 Q CA -0.311 55.422 55.803 -0.117 0.000 0.723 577 Q CB 1.769 30.446 28.738 -0.102 0.000 1.281 577 Q HN 0.840 nan 8.270 nan 0.000 0.470 578 T N 3.883 118.382 114.554 -0.091 0.000 2.898 578 T HA 0.233 4.586 4.350 0.005 0.000 0.301 578 T C -2.373 172.295 174.700 -0.054 0.000 1.049 578 T CA -0.970 61.085 62.100 -0.074 0.000 1.095 578 T CB 0.411 69.237 68.868 -0.070 0.000 0.976 578 T HN 0.390 nan 8.240 nan 0.000 0.539 579 P HA 0.054 nan 4.420 nan 0.000 0.263 579 P C -2.397 174.890 177.300 -0.022 0.000 1.168 579 P CA -0.831 62.250 63.100 -0.032 0.000 0.759 579 P CB -0.582 31.101 31.700 -0.028 0.000 0.782 580 P HA -0.057 nan 4.420 nan 0.000 0.261 580 P C 1.046 178.353 177.300 0.012 0.000 1.165 580 P CA 1.725 64.824 63.100 -0.002 0.000 0.759 580 P CB -0.012 31.695 31.700 0.012 0.000 0.772 581 G N 1.709 110.520 108.800 0.018 0.000 2.179 581 G HA2 -0.242 3.722 3.960 0.005 0.000 0.260 581 G HA3 -0.242 3.722 3.960 0.005 0.000 0.260 581 G C 0.338 175.251 174.900 0.022 0.000 0.977 581 G CA 0.254 45.376 45.100 0.036 0.000 0.641 581 G HN 0.765 nan 8.290 nan 0.000 0.533 582 S N -0.315 115.387 115.700 0.003 0.000 2.600 582 S HA 0.663 5.136 4.470 0.005 0.000 0.265 582 S C 0.630 175.228 174.600 -0.004 0.000 1.325 582 S CA 0.493 58.689 58.200 -0.006 0.000 1.002 582 S CB 1.865 65.053 63.200 -0.020 0.000 0.921 582 S HN 1.565 nan 8.310 nan 0.000 0.554 583 S N 0.334 116.029 115.700 -0.008 0.000 2.617 583 S HA 0.518 4.991 4.470 0.005 0.000 0.269 583 S C 1.359 175.952 174.600 -0.011 0.000 1.292 583 S CA -0.334 57.862 58.200 -0.006 0.000 1.010 583 S CB 0.592 63.788 63.200 -0.007 0.000 0.944 583 S HN 1.090 nan 8.310 nan 0.000 0.536 584 A N 2.759 125.576 122.820 -0.005 0.000 1.940 584 A HA -0.085 4.238 4.320 0.005 0.000 0.219 584 A C 1.928 179.503 177.584 -0.014 0.000 1.176 584 A CA 1.827 53.861 52.037 -0.006 0.000 0.631 584 A CB -0.884 18.121 19.000 0.008 0.000 0.814 584 A HN 0.965 nan 8.150 nan 0.000 0.446 585 E N -0.921 119.271 120.200 -0.013 0.000 2.150 585 E HA -0.167 4.187 4.350 0.005 0.000 0.193 585 E C 2.289 178.875 176.600 -0.023 0.000 0.985 585 E CA 0.854 57.244 56.400 -0.016 0.000 0.814 585 E CB -0.161 29.531 29.700 -0.013 0.000 0.752 585 E HN 0.551 nan 8.360 nan 0.000 0.466 586 R N 0.856 121.340 120.500 -0.026 0.000 2.075 586 R HA -0.098 4.245 4.340 0.005 0.000 0.226 586 R C 2.625 178.893 176.300 -0.053 0.000 1.114 586 R CA 1.773 57.852 56.100 -0.034 0.000 0.972 586 R CB -0.316 29.966 30.300 -0.030 0.000 0.869 586 R HN 0.257 nan 8.270 nan 0.000 0.437 587 T N -0.716 113.805 114.554 -0.056 0.000 2.665 587 T HA -0.186 4.167 4.350 0.005 0.000 0.268 587 T C 1.827 176.476 174.700 -0.086 0.000 1.035 587 T CA 0.980 63.032 62.100 -0.079 0.000 1.151 587 T CB -0.363 68.463 68.868 -0.070 0.000 0.862 587 T HN 0.150 nan 8.240 nan 0.000 0.438 588 Q N 0.568 120.331 119.800 -0.062 0.000 2.515 588 Q HA -0.010 4.333 4.340 0.005 0.000 0.215 588 Q C 2.201 178.167 176.000 -0.058 0.000 0.983 588 Q CA 0.732 56.501 55.803 -0.058 0.000 0.905 588 Q CB -0.208 28.508 28.738 -0.036 0.000 0.961 588 Q HN 0.632 nan 8.270 nan 0.000 0.503 589 V N -1.552 118.323 119.914 -0.065 0.000 2.922 589 V HA -0.079 4.045 4.120 0.005 0.000 0.242 589 V C 2.136 178.166 176.094 -0.106 0.000 1.094 589 V CA 0.569 62.835 62.300 -0.057 0.000 1.106 589 V CB 0.046 31.848 31.823 -0.035 0.000 0.799 589 V HN 0.002 nan 8.190 nan 0.000 0.474 590 V N 0.113 119.930 119.914 -0.162 0.000 2.720 590 V HA -0.166 3.957 4.120 0.005 0.000 0.256 590 V C 2.287 178.209 176.094 -0.286 0.000 1.082 590 V CA 1.601 63.719 62.300 -0.304 0.000 1.101 590 V CB -0.538 31.113 31.823 -0.287 0.000 0.693 590 V HN 0.425 nan 8.190 nan 0.000 0.479 591 V N -0.078 119.731 119.914 -0.175 0.000 2.725 591 V HA -0.071 4.052 4.120 0.005 0.000 0.247 591 V C 1.807 177.857 176.094 -0.074 0.000 1.058 591 V CA 1.421 63.639 62.300 -0.136 0.000 1.080 591 V CB -0.392 31.358 31.823 -0.121 0.000 0.713 591 V HN 0.493 nan 8.190 nan 0.000 0.465 592 D N -0.005 120.363 120.400 -0.054 0.000 2.378 592 D HA -0.031 4.612 4.640 0.005 0.000 0.227 592 D C 2.144 178.472 176.300 0.046 0.000 1.012 592 D CA 0.626 54.622 54.000 -0.007 0.000 0.905 592 D CB 0.102 40.900 40.800 -0.003 0.000 0.895 592 D HN 0.354 nan 8.370 nan 0.000 0.532 593 S N 0.137 115.858 115.700 0.034 0.000 2.335 593 S HA -0.115 4.358 4.470 0.005 0.000 0.217 593 S C 1.868 176.656 174.600 0.314 0.000 1.032 593 S CA 0.715 59.021 58.200 0.175 0.000 0.985 593 S CB -0.096 63.072 63.200 -0.054 0.000 0.896 593 S HN 0.130 nan 8.310 nan 0.000 0.445 594 M N 1.627 121.404 119.600 0.294 0.000 2.082 594 M HA -0.096 4.388 4.480 0.005 0.000 0.258 594 M C 2.162 178.568 176.300 0.176 0.000 1.069 594 M CA 1.259 56.765 55.300 0.343 0.000 1.102 594 M CB -0.612 32.130 32.600 0.236 0.000 1.336 594 M HN 0.066 nan 8.290 nan 0.000 0.404 595 R N 0.364 120.919 120.500 0.092 0.000 2.271 595 R HA -0.260 4.083 4.340 0.005 0.000 0.235 595 R C 2.074 178.403 176.300 0.047 0.000 1.112 595 R CA 2.326 58.450 56.100 0.040 0.000 0.886 595 R CB -1.204 29.110 30.300 0.024 0.000 0.934 595 R HN 0.385 nan 8.270 nan 0.000 0.420 596 E N -0.574 119.681 120.200 0.091 0.000 1.992 596 E HA -0.179 4.174 4.350 0.005 0.000 0.202 596 E C 1.817 178.469 176.600 0.087 0.000 1.007 596 E CA 1.689 58.143 56.400 0.091 0.000 0.857 596 E CB -0.946 28.835 29.700 0.134 0.000 0.796 596 E HN 0.435 nan 8.360 nan 0.000 0.486 597 Y N 0.960 121.276 120.300 0.027 0.000 2.038 597 Y HA -0.375 4.178 4.550 0.006 0.000 0.266 597 Y C 2.000 177.840 175.900 -0.100 0.000 1.220 597 Y CA 2.020 60.051 58.100 -0.115 0.000 1.107 597 Y CB -0.381 37.952 38.460 -0.212 0.000 0.932 597 Y HN 0.048 nan 8.280 nan 0.000 0.500 598 L N 0.137 121.153 121.223 -0.345 0.000 1.937 598 L HA -0.224 4.119 4.340 0.005 0.000 0.213 598 L C 2.320 179.019 176.870 -0.285 0.000 1.077 598 L CA 1.944 56.528 54.840 -0.427 0.000 0.758 598 L CB -0.916 41.068 42.059 -0.125 0.000 0.888 598 L HN 0.468 nan 8.230 nan 0.000 0.433 599 L N -3.224 117.911 121.223 -0.147 0.000 2.660 599 L HA 0.116 4.459 4.340 0.005 0.000 0.238 599 L C 1.593 178.403 176.870 -0.099 0.000 1.161 599 L CA 0.394 55.166 54.840 -0.114 0.000 0.937 599 L CB -0.291 41.715 42.059 -0.088 0.000 1.122 599 L HN 0.221 nan 8.230 nan 0.000 0.435 600 E N 0.345 120.474 120.200 -0.117 0.000 2.290 600 E HA 0.081 4.434 4.350 0.005 0.000 0.195 600 E C 1.612 178.155 176.600 -0.096 0.000 0.938 600 E CA 0.194 56.548 56.400 -0.077 0.000 1.018 600 E CB 0.107 29.789 29.700 -0.031 0.000 1.042 600 E HN 0.267 nan 8.360 nan 0.000 0.483 601 K N 1.323 121.635 120.400 -0.147 0.000 1.991 601 K HA -0.016 4.308 4.320 0.005 0.000 0.207 601 K C 1.180 177.677 176.600 -0.171 0.000 1.045 601 K CA 0.874 57.081 56.287 -0.133 0.000 0.937 601 K CB -0.259 32.185 32.500 -0.094 0.000 0.720 601 K HN 0.047 nan 8.250 nan 0.000 0.438 602 E N 1.760 121.778 120.200 -0.303 0.000 2.545 602 E HA 0.011 4.365 4.350 0.005 0.000 0.271 602 E C 1.077 177.585 176.600 -0.155 0.000 1.508 602 E CA 0.001 56.263 56.400 -0.230 0.000 1.774 602 E CB 0.008 29.519 29.700 -0.315 0.000 1.460 602 E HN 0.113 nan 8.360 nan 0.000 0.449 603 S N 0.695 116.328 115.700 -0.112 0.000 2.356 603 S HA -0.145 4.328 4.470 0.005 0.000 0.223 603 S C 1.709 176.273 174.600 -0.060 0.000 1.032 603 S CA 1.287 59.440 58.200 -0.078 0.000 1.005 603 S CB 0.073 63.239 63.200 -0.056 0.000 0.867 603 S HN 0.260 nan 8.310 nan 0.000 0.449 604 S N 0.112 115.782 115.700 -0.051 0.000 2.859 604 S HA 0.348 4.821 4.470 0.005 0.000 0.245 604 S C 0.820 175.395 174.600 -0.042 0.000 1.008 604 S CA 0.500 58.679 58.200 -0.035 0.000 1.089 604 S CB -0.573 62.613 63.200 -0.022 0.000 0.798 604 S HN 0.528 nan 8.310 nan 0.000 0.477 605 S N -0.753 114.910 115.700 -0.061 0.000 3.916 605 S HA 0.286 4.759 4.470 0.005 0.000 0.231 605 S C -0.089 174.462 174.600 -0.083 0.000 1.161 605 S CA 0.022 58.177 58.200 -0.073 0.000 0.938 605 S CB 0.029 63.180 63.200 -0.082 0.000 1.170 605 S HN 0.205 nan 8.310 nan 0.000 0.508 606 V N 2.637 122.500 119.914 -0.086 0.000 2.567 606 V HA 0.553 4.676 4.120 0.005 0.000 0.289 606 V C 1.134 177.200 176.094 -0.047 0.000 1.049 606 V CA 0.411 62.669 62.300 -0.071 0.000 0.969 606 V CB 1.533 33.306 31.823 -0.084 0.000 0.995 606 V HN 0.511 nan 8.190 nan 0.000 0.471 607 S N 1.668 117.357 115.700 -0.018 0.000 2.527 607 S HA 0.212 4.686 4.470 0.005 0.000 0.227 607 S C 0.507 175.119 174.600 0.020 0.000 1.059 607 S CA 0.526 58.730 58.200 0.006 0.000 0.919 607 S CB 0.188 63.405 63.200 0.028 0.000 0.805 607 S HN 1.129 nan 8.310 nan 0.000 0.500 608 S N -0.253 115.475 115.700 0.046 0.000 2.565 608 S HA 0.638 5.111 4.470 0.005 0.000 0.274 608 S C -1.600 173.063 174.600 0.105 0.000 1.144 608 S CA -0.729 57.490 58.200 0.033 0.000 0.849 608 S CB 1.536 64.836 63.200 0.167 0.000 1.103 608 S HN 0.105 nan 8.310 nan 0.000 0.455 609 V N 2.559 122.491 119.914 0.032 0.000 2.483 609 V HA 0.633 4.756 4.120 0.005 0.000 0.297 609 V C -1.145 175.121 176.094 0.287 0.000 1.027 609 V CA -0.556 61.838 62.300 0.157 0.000 0.855 609 V CB 1.269 33.129 31.823 0.061 0.000 0.995 609 V HN 0.891 nan 8.190 nan 0.000 0.424 610 F N 3.290 123.453 119.950 0.355 0.000 2.411 610 F HA 0.644 5.174 4.527 0.004 0.000 0.352 610 F C 0.383 176.345 175.800 0.270 0.000 1.123 610 F CA 0.080 58.342 58.000 0.437 0.000 1.044 610 F CB 1.558 40.833 39.000 0.459 0.000 1.135 610 F HN 0.465 nan 8.300 nan 0.000 0.461 611 T N 6.001 120.345 114.554 -0.350 0.000 2.795 611 T HA 0.566 4.919 4.350 0.005 0.000 0.282 611 T C -0.996 173.416 174.700 -0.481 0.000 0.980 611 T CA -0.423 61.503 62.100 -0.290 0.000 1.012 611 T CB 1.227 69.974 68.868 -0.201 0.000 0.936 611 T HN 0.351 nan 8.240 nan 0.000 0.457 612 V N 4.656 124.394 119.914 -0.294 0.000 2.443 612 V HA 0.445 4.569 4.120 0.005 0.000 0.293 612 V C 0.214 176.214 176.094 -0.157 0.000 1.021 612 V CA -0.961 61.162 62.300 -0.295 0.000 0.848 612 V CB 1.796 33.401 31.823 -0.363 0.000 0.998 612 V HN 1.073 nan 8.190 nan 0.000 0.424 613 T N 0.637 115.126 114.554 -0.108 0.000 2.795 613 T HA 0.687 5.040 4.350 0.005 0.000 0.282 613 T C 0.888 175.597 174.700 0.015 0.000 0.980 613 T CA 0.154 62.220 62.100 -0.055 0.000 1.012 613 T CB 1.530 70.366 68.868 -0.053 0.000 0.936 613 T HN 1.527 nan 8.240 nan 0.000 0.457 614 G N 1.234 110.056 108.800 0.036 0.000 2.192 614 G HA2 -0.074 3.889 3.960 0.005 0.000 0.193 614 G HA3 -0.074 3.889 3.960 0.005 0.000 0.193 614 G C -0.337 174.681 174.900 0.197 0.000 0.999 614 G CA -0.226 44.932 45.100 0.097 0.000 0.659 614 G HN 1.038 nan 8.290 nan 0.000 0.503 615 F N 1.027 120.960 119.950 -0.028 0.000 2.622 615 F HA 0.665 5.195 4.527 0.005 0.000 0.318 615 F C -0.920 174.813 175.800 -0.112 0.000 1.135 615 F CA -0.865 57.128 58.000 -0.011 0.000 1.015 615 F CB 1.062 40.115 39.000 0.090 0.000 1.275 615 F HN 0.069 nan 8.300 nan 0.000 0.457 616 N N 3.371 121.469 118.700 -1.004 0.000 3.038 616 N HA 0.468 5.211 4.740 0.005 0.000 0.307 616 N C -0.045 174.739 175.510 -1.211 0.000 1.441 616 N CA -0.937 51.519 53.050 -0.990 0.000 0.772 616 N CB 1.673 39.874 38.487 -0.476 0.000 1.651 616 N HN 0.568 nan 8.380 nan 0.000 0.593 617 F N 0.114 119.766 119.950 -0.497 0.000 2.569 617 F HA 0.187 4.716 4.527 0.005 0.000 0.295 617 F C 2.159 177.855 175.800 -0.174 0.000 1.115 617 F CA 0.165 57.990 58.000 -0.291 0.000 1.450 617 F CB 0.224 39.142 39.000 -0.136 0.000 1.107 617 F HN 0.492 nan 8.300 nan 0.000 0.563 618 A N 0.096 122.902 122.820 -0.022 0.000 1.935 618 A HA 0.454 4.777 4.320 0.005 0.000 0.214 618 A C 1.322 178.873 177.584 -0.055 0.000 1.178 618 A CA 1.312 53.337 52.037 -0.019 0.000 0.640 618 A CB -0.696 18.287 19.000 -0.028 0.000 0.825 618 A HN 0.330 nan 8.150 nan 0.000 0.447 619 G N -1.542 107.185 108.800 -0.121 0.000 2.606 619 G HA2 0.492 4.455 3.960 0.005 0.000 0.300 619 G HA3 0.492 4.455 3.960 0.005 0.000 0.300 619 G C -0.353 174.480 174.900 -0.112 0.000 1.360 619 G CA -0.092 44.961 45.100 -0.078 0.000 0.783 619 G HN 0.532 nan 8.290 nan 0.000 0.484 620 R N -0.405 120.094 120.500 -0.002 0.000 2.534 620 R HA 0.333 4.676 4.340 0.005 0.000 0.438 620 R C 0.537 176.885 176.300 0.081 0.000 0.913 620 R CA 0.139 56.286 56.100 0.079 0.000 1.130 620 R CB 0.273 30.743 30.300 0.284 0.000 1.611 620 R HN 0.862 nan 8.270 nan 0.000 0.571 621 G N 0.859 109.680 108.800 0.034 0.000 2.611 621 G HA2 -0.069 3.894 3.960 0.005 0.000 0.273 621 G HA3 -0.069 3.894 3.960 0.005 0.000 0.273 621 G C 0.201 175.117 174.900 0.027 0.000 1.305 621 G CA -0.463 44.656 45.100 0.032 0.000 1.010 621 G HN 0.307 nan 8.290 nan 0.000 0.509 622 Q N -1.119 118.696 119.800 0.024 0.000 2.364 622 Q HA -0.093 4.250 4.340 0.005 0.000 0.207 622 Q C 2.583 178.579 176.000 -0.006 0.000 0.970 622 Q CA 1.225 57.039 55.803 0.018 0.000 0.888 622 Q CB -0.069 28.681 28.738 0.020 0.000 0.951 622 Q HN 0.549 nan 8.270 nan 0.000 0.469 623 S N -0.567 115.124 115.700 -0.015 0.000 2.436 623 S HA -0.027 4.446 4.470 0.005 0.000 0.228 623 S C 0.607 175.172 174.600 -0.059 0.000 1.014 623 S CA 0.458 58.638 58.200 -0.034 0.000 0.950 623 S CB 0.128 63.309 63.200 -0.033 0.000 0.784 623 S HN 0.390 nan 8.310 nan 0.000 0.504 624 S N -0.286 115.378 115.700 -0.060 0.000 2.565 624 S HA 0.835 5.308 4.470 0.005 0.000 0.290 624 S C -0.008 174.529 174.600 -0.106 0.000 1.150 624 S CA -0.303 57.837 58.200 -0.100 0.000 1.058 624 S CB 1.520 64.649 63.200 -0.119 0.000 1.032 624 S HN 0.626 nan 8.310 nan 0.000 0.510 625 G N 0.788 109.493 108.800 -0.158 0.000 2.667 625 G HA2 0.583 4.546 3.960 0.005 0.000 0.294 625 G HA3 0.583 4.546 3.960 0.005 0.000 0.294 625 G C -1.091 173.670 174.900 -0.233 0.000 1.467 625 G CA -0.988 44.014 45.100 -0.163 0.000 0.852 625 G HN 1.003 nan 8.290 nan 0.000 0.521 626 M N -0.108 119.341 119.600 -0.251 0.000 0.000 626 M HA 0.952 5.435 4.480 0.005 0.000 0.000 626 M C -0.820 175.333 176.300 -0.245 0.000 0.000 626 M CA -1.239 53.872 55.300 -0.314 0.000 0.000 626 M CB 2.167 34.469 32.600 -0.497 0.000 0.000 626 M HN 1.432 nan 8.290 nan 0.000 0.000 627 A N 0.723 123.398 122.820 -0.241 0.000 2.455 627 A HA 0.805 5.128 4.320 0.005 0.000 0.300 627 A C -1.966 175.594 177.584 -0.041 0.000 1.040 627 A CA -0.509 51.485 52.037 -0.073 0.000 0.697 627 A CB 1.012 20.005 19.000 -0.012 0.000 1.265 627 A HN 0.718 nan 8.150 nan 0.000 0.407 628 F N 3.643 123.749 119.950 0.261 0.000 2.334 628 F HA 0.339 4.869 4.527 0.004 0.000 0.365 628 F C 0.204 176.175 175.800 0.285 0.000 1.124 628 F CA -0.555 57.633 58.000 0.313 0.000 1.166 628 F CB 0.805 39.996 39.000 0.319 0.000 1.355 628 F HN 0.301 nan 8.300 nan 0.000 0.532 629 I N 4.097 124.844 120.570 0.295 0.000 2.416 629 I HA 0.194 4.367 4.170 0.005 0.000 0.288 629 I C -0.090 176.144 176.117 0.194 0.000 1.051 629 I CA -0.536 60.885 61.300 0.201 0.000 1.375 629 I CB 0.777 38.836 38.000 0.098 0.000 1.407 629 I HN 0.490 nan 8.210 nan 0.000 0.516 630 M N 7.403 127.118 119.600 0.192 0.000 2.125 630 M HA 0.470 4.954 4.480 0.005 0.000 0.321 630 M C -0.892 175.435 176.300 0.044 0.000 0.983 630 M CA -0.365 55.023 55.300 0.147 0.000 0.934 630 M CB 1.061 33.791 32.600 0.216 0.000 1.542 630 M HN 0.340 nan 8.290 nan 0.000 0.424 631 L N 3.627 124.825 121.223 -0.043 0.000 2.468 631 L HA 0.473 4.816 4.340 0.005 0.000 0.254 631 L C 0.525 177.340 176.870 -0.092 0.000 1.171 631 L CA -0.088 54.690 54.840 -0.104 0.000 0.809 631 L CB 0.386 42.316 42.059 -0.214 0.000 1.155 631 L HN 0.587 nan 8.230 nan 0.000 0.473 632 K N 0.787 121.133 120.400 -0.089 0.000 2.132 632 K HA 0.276 4.599 4.320 0.005 0.000 0.240 632 K C -2.260 174.305 176.600 -0.059 0.000 1.036 632 K CA -1.561 54.700 56.287 -0.044 0.000 0.888 632 K CB -0.338 32.150 32.500 -0.020 0.000 1.071 632 K HN 0.300 nan 8.250 nan 0.000 0.502 633 P HA -0.092 nan 4.420 nan 0.000 0.266 633 P C -0.372 177.053 177.300 0.209 0.000 1.193 633 P CA 0.083 63.293 63.100 0.182 0.000 0.770 633 P CB 0.164 31.960 31.700 0.160 0.000 0.836 634 W N 1.130 122.443 121.300 0.021 0.000 2.848 634 W HA 0.035 4.697 4.660 0.004 0.000 0.241 634 W C 0.818 177.356 176.519 0.032 0.000 1.289 634 W CA 0.438 57.802 57.345 0.030 0.000 1.396 634 W CB -1.322 28.163 29.460 0.042 0.000 1.138 634 W HN 0.445 nan 8.180 nan 0.000 0.677 635 E N 0.075 120.424 120.200 0.249 0.000 2.451 635 E HA 0.044 4.397 4.350 0.005 0.000 0.194 635 E C 0.674 177.335 176.600 0.102 0.000 1.027 635 E CA 0.222 56.712 56.400 0.150 0.000 0.914 635 E CB 0.066 29.834 29.700 0.115 0.000 1.054 635 E HN 0.462 nan 8.360 nan 0.000 0.461 636 E N 0.341 120.598 120.200 0.094 0.000 2.665 636 E HA 0.068 4.421 4.350 0.005 0.000 0.225 636 E C 0.831 177.455 176.600 0.040 0.000 0.922 636 E CA 0.002 56.436 56.400 0.055 0.000 1.242 636 E CB 0.664 30.389 29.700 0.041 0.000 1.197 636 E HN 0.054 nan 8.360 nan 0.000 0.581 637 R N 0.411 120.941 120.500 0.049 0.000 2.642 637 R HA 0.300 4.643 4.340 0.005 0.000 0.435 637 R C -2.688 173.644 176.300 0.053 0.000 1.046 637 R CA -1.140 54.976 56.100 0.027 0.000 1.103 637 R CB -0.279 30.010 30.300 -0.018 0.000 1.425 637 R HN -0.125 nan 8.270 nan 0.000 0.586 638 P HA 0.226 nan 4.420 nan 0.000 0.276 638 P C 0.418 177.758 177.300 0.066 0.000 1.243 638 P CA 0.395 63.552 63.100 0.095 0.000 0.768 638 P CB 1.418 33.181 31.700 0.104 0.000 0.856 639 G N 1.366 110.204 108.800 0.064 0.000 4.589 639 G HA2 0.295 4.259 3.960 0.005 0.000 0.218 639 G HA3 0.295 4.259 3.960 0.005 0.000 0.218 639 G C 0.806 175.734 174.900 0.047 0.000 0.678 639 G CA 0.747 45.876 45.100 0.048 0.000 0.859 639 G HN 0.772 nan 8.290 nan 0.000 0.650 640 G N 1.401 110.236 108.800 0.058 0.000 2.507 640 G HA2 -0.431 3.532 3.960 0.005 0.000 0.240 640 G HA3 -0.431 3.532 3.960 0.005 0.000 0.240 640 G C 1.316 176.250 174.900 0.057 0.000 1.119 640 G CA 1.747 46.882 45.100 0.059 0.000 0.664 640 G HN 1.244 nan 8.290 nan 0.000 0.516 641 E N 0.442 120.668 120.200 0.043 0.000 2.152 641 E HA 0.029 4.382 4.350 0.005 0.000 0.192 641 E C 1.560 178.179 176.600 0.030 0.000 0.983 641 E CA 1.076 57.499 56.400 0.038 0.000 0.818 641 E CB -0.423 29.293 29.700 0.027 0.000 0.758 641 E HN 0.635 nan 8.360 nan 0.000 0.467 642 N N 1.302 120.016 118.700 0.023 0.000 2.346 642 N HA 0.021 4.764 4.740 0.005 0.000 0.225 642 N C -0.444 175.057 175.510 -0.014 0.000 1.144 642 N CA -0.283 52.765 53.050 -0.003 0.000 0.837 642 N CB 0.610 39.091 38.487 -0.010 0.000 1.069 642 N HN 0.068 nan 8.380 nan 0.000 0.487 643 S N -0.330 115.386 115.700 0.026 0.000 2.584 643 S HA 0.121 4.594 4.470 0.005 0.000 0.273 643 S C 1.532 176.117 174.600 -0.025 0.000 1.311 643 S CA -0.709 57.515 58.200 0.041 0.000 1.034 643 S CB 1.480 64.781 63.200 0.169 0.000 0.939 643 S HN -0.037 nan 8.310 nan 0.000 0.513 644 V N 4.358 124.172 119.914 -0.167 0.000 2.469 644 V HA -0.133 3.991 4.120 0.005 0.000 0.251 644 V C 1.609 177.550 176.094 -0.255 0.000 1.064 644 V CA 2.048 64.171 62.300 -0.296 0.000 1.066 644 V CB -0.977 30.541 31.823 -0.508 0.000 0.667 644 V HN 0.909 nan 8.190 nan 0.000 0.461 645 F N -0.328 119.640 119.950 0.029 0.000 2.367 645 F HA -0.020 4.509 4.527 0.004 0.000 0.298 645 F C 2.322 178.158 175.800 0.060 0.000 1.094 645 F CA 1.200 59.235 58.000 0.057 0.000 1.409 645 F CB -0.285 38.751 39.000 0.060 0.000 1.064 645 F HN 0.149 nan 8.300 nan 0.000 0.528 646 E N 0.600 120.920 120.200 0.199 0.000 2.112 646 E HA -0.055 4.298 4.350 0.005 0.000 0.190 646 E C 2.196 178.855 176.600 0.099 0.000 0.979 646 E CA 0.579 57.059 56.400 0.133 0.000 0.814 646 E CB -0.341 29.419 29.700 0.100 0.000 0.762 646 E HN 0.330 nan 8.360 nan 0.000 0.460 647 L N -0.244 121.017 121.223 0.063 0.000 2.083 647 L HA -0.173 4.170 4.340 0.005 0.000 0.209 647 L C 2.201 179.139 176.870 0.113 0.000 1.083 647 L CA 1.110 55.985 54.840 0.058 0.000 0.752 647 L CB -0.346 41.713 42.059 -0.001 0.000 0.899 647 L HN 0.217 nan 8.230 nan 0.000 0.433 648 A N 0.210 123.097 122.820 0.111 0.000 1.865 648 A HA -0.263 4.060 4.320 0.005 0.000 0.217 648 A C 2.251 179.954 177.584 0.198 0.000 1.191 648 A CA 2.013 54.145 52.037 0.160 0.000 0.623 648 A CB -0.347 18.750 19.000 0.161 0.000 0.826 648 A HN 0.375 nan 8.150 nan 0.000 0.444 649 K N -0.882 119.623 120.400 0.175 0.000 2.001 649 K HA -0.124 4.199 4.320 0.005 0.000 0.208 649 K C 2.396 179.075 176.600 0.133 0.000 1.048 649 K CA 1.424 57.803 56.287 0.155 0.000 0.932 649 K CB -0.251 32.325 32.500 0.126 0.000 0.715 649 K HN 0.488 nan 8.250 nan 0.000 0.437 650 R N 1.304 121.875 120.500 0.119 0.000 2.094 650 R HA -0.215 4.128 4.340 0.005 0.000 0.239 650 R C 2.264 178.630 176.300 0.110 0.000 1.137 650 R CA 1.913 58.075 56.100 0.104 0.000 0.943 650 R CB -0.471 29.894 30.300 0.107 0.000 0.850 650 R HN 0.229 nan 8.270 nan 0.000 0.433 651 A N 0.365 123.295 122.820 0.183 0.000 1.902 651 A HA -0.227 4.097 4.320 0.005 0.000 0.217 651 A C 2.077 179.649 177.584 -0.020 0.000 1.181 651 A CA 1.618 53.736 52.037 0.135 0.000 0.623 651 A CB -0.620 18.632 19.000 0.421 0.000 0.818 651 A HN 0.621 nan 8.150 nan 0.000 0.443 652 Q N -1.240 118.741 119.800 0.301 0.000 2.515 652 Q HA 0.090 4.433 4.340 0.005 0.000 0.212 652 Q C 1.645 177.809 176.000 0.273 0.000 0.970 652 Q CA 0.455 56.529 55.803 0.451 0.000 0.941 652 Q CB -0.151 28.836 28.738 0.416 0.000 0.998 652 Q HN 0.710 nan 8.270 nan 0.000 0.518 653 M N -2.132 117.529 119.600 0.103 0.000 2.552 653 M HA -0.032 4.451 4.480 0.005 0.000 0.264 653 M C 1.430 177.712 176.300 -0.029 0.000 1.159 653 M CA 0.732 56.057 55.300 0.042 0.000 1.176 653 M CB 0.019 32.604 32.600 -0.024 0.000 1.327 653 M HN 0.307 nan 8.290 nan 0.000 0.481 654 H N -0.141 118.722 119.070 -0.346 0.000 2.559 654 H HA 0.026 4.586 4.556 0.007 0.000 0.273 654 H C 1.185 176.168 175.328 -0.575 0.000 1.000 654 H CA 1.283 56.962 56.048 -0.615 0.000 1.195 654 H CB 0.122 29.179 29.762 -1.176 0.000 1.368 654 H HN 0.259 nan 8.280 nan 0.000 0.592 655 F N -2.082 117.882 119.950 0.023 0.000 2.714 655 F HA 0.051 4.582 4.527 0.007 0.000 0.294 655 F C 1.411 177.297 175.800 0.144 0.000 1.120 655 F CA -0.385 57.749 58.000 0.224 0.000 1.398 655 F CB 0.112 39.303 39.000 0.317 0.000 1.120 655 F HN 0.163 nan 8.300 nan 0.000 0.589 656 F N 0.339 120.336 119.950 0.077 0.000 2.365 656 F HA -0.166 4.364 4.527 0.005 0.000 0.300 656 F C 2.412 178.156 175.800 -0.094 0.000 1.090 656 F CA 0.993 59.002 58.000 0.016 0.000 1.408 656 F CB -0.346 38.646 39.000 -0.014 0.000 1.060 656 F HN -0.109 nan 8.300 nan 0.000 0.534 657 S N 0.081 115.661 115.700 -0.199 0.000 2.343 657 S HA -0.174 4.299 4.470 0.005 0.000 0.219 657 S C 0.689 175.059 174.600 -0.383 0.000 1.033 657 S CA 0.467 58.420 58.200 -0.413 0.000 1.014 657 S CB -0.686 62.056 63.200 -0.764 0.000 0.915 657 S HN 0.122 nan 8.310 nan 0.000 0.435 658 F N 2.828 122.718 119.950 -0.100 0.000 2.539 658 F HA 0.127 4.657 4.527 0.005 0.000 0.393 658 F C 1.244 176.965 175.800 -0.130 0.000 1.032 658 F CA -0.216 57.737 58.000 -0.078 0.000 1.120 658 F CB 0.200 39.194 39.000 -0.010 0.000 1.014 658 F HN 0.209 nan 8.300 nan 0.000 0.546 659 K N 0.478 120.886 120.400 0.014 0.000 2.356 659 K HA -0.013 4.310 4.320 0.005 0.000 0.195 659 K C 0.932 177.507 176.600 -0.041 0.000 1.037 659 K CA 0.827 57.070 56.287 -0.074 0.000 1.014 659 K CB -0.347 32.099 32.500 -0.089 0.000 0.815 659 K HN 0.535 nan 8.250 nan 0.000 0.507 660 D N 1.489 121.893 120.400 0.006 0.000 2.278 660 D HA 0.037 4.680 4.640 0.005 0.000 0.228 660 D C 0.402 176.686 176.300 -0.026 0.000 1.020 660 D CA 0.402 54.394 54.000 -0.013 0.000 0.922 660 D CB -0.739 40.057 40.800 -0.007 0.000 1.051 660 D HN 0.094 nan 8.370 nan 0.000 0.452 661 A N 0.935 123.738 122.820 -0.028 0.000 2.327 661 A HA 0.485 4.808 4.320 0.005 0.000 0.283 661 A C 0.513 178.065 177.584 -0.054 0.000 1.127 661 A CA -0.536 51.461 52.037 -0.066 0.000 0.810 661 A CB 0.372 19.301 19.000 -0.119 0.000 1.066 661 A HN 0.197 nan 8.150 nan 0.000 0.492 662 M N 1.817 121.377 119.600 -0.067 0.000 2.233 662 M HA 0.283 4.766 4.480 0.005 0.000 0.350 662 M C -0.575 175.671 176.300 -0.090 0.000 1.176 662 M CA 0.001 55.270 55.300 -0.053 0.000 1.150 662 M CB 0.717 33.281 32.600 -0.060 0.000 1.530 662 M HN 0.298 nan 8.290 nan 0.000 0.459 663 V N 5.029 124.909 119.914 -0.057 0.000 2.398 663 V HA 0.297 4.420 4.120 0.005 0.000 0.282 663 V C -1.064 174.989 176.094 -0.069 0.000 1.014 663 V CA -0.639 61.536 62.300 -0.207 0.000 0.838 663 V CB 1.327 32.873 31.823 -0.462 0.000 1.018 663 V HN 0.636 nan 8.190 nan 0.000 0.432 664 F N 5.038 124.811 119.950 -0.295 0.000 2.361 664 F HA 0.799 5.329 4.527 0.006 0.000 0.364 664 F C 0.371 175.939 175.800 -0.386 0.000 1.120 664 F CA -1.551 56.287 58.000 -0.270 0.000 1.102 664 F CB 1.056 39.876 39.000 -0.301 0.000 1.183 664 F HN 0.516 nan 8.300 nan 0.000 0.476 665 A N 8.651 131.301 122.820 -0.284 0.000 2.260 665 A HA 0.666 4.990 4.320 0.005 0.000 0.314 665 A C -0.992 176.389 177.584 -0.339 0.000 1.257 665 A CA -0.498 51.369 52.037 -0.282 0.000 0.871 665 A CB -0.316 18.752 19.000 0.114 0.000 1.166 665 A HN 0.773 nan 8.150 nan 0.000 0.522 666 F N 0.444 120.179 119.950 -0.359 0.000 2.620 666 F HA 0.891 5.421 4.527 0.004 0.000 0.320 666 F C 0.084 175.847 175.800 -0.062 0.000 1.069 666 F CA -1.452 56.392 58.000 -0.260 0.000 0.953 666 F CB 1.874 40.613 39.000 -0.434 0.000 1.322 666 F HN 0.617 nan 8.300 nan 0.000 0.479 667 A N 1.573 124.483 122.820 0.150 0.000 2.337 667 A HA 0.876 5.199 4.320 0.005 0.000 0.331 667 A C -2.916 174.655 177.584 -0.022 0.000 1.137 667 A CA -2.013 50.006 52.037 -0.030 0.000 0.807 667 A CB 1.145 20.037 19.000 -0.179 0.000 1.250 667 A HN 0.539 nan 8.150 nan 0.000 0.468 668 P HA 0.374 nan 4.420 nan 0.000 0.281 668 P C -2.412 174.948 177.300 0.101 0.000 1.249 668 P CA -1.543 61.584 63.100 0.045 0.000 0.810 668 P CB 0.168 31.935 31.700 0.112 0.000 1.008 669 P HA -0.017 nan 4.420 nan 0.000 0.285 669 P C -0.119 177.266 177.300 0.143 0.000 1.521 669 P CA 0.363 63.544 63.100 0.135 0.000 0.792 669 P CB -0.987 30.779 31.700 0.109 0.000 1.613 670 S N -2.385 113.420 115.700 0.175 0.000 3.550 670 S HA -0.143 4.331 4.470 0.005 0.000 0.372 670 S C 0.153 174.867 174.600 0.189 0.000 0.966 670 S CA 0.652 58.979 58.200 0.212 0.000 1.229 670 S CB -2.575 60.775 63.200 0.251 0.000 0.917 670 S HN 0.231 nan 8.310 nan 0.000 0.496 671 V N 0.354 120.369 119.914 0.168 0.000 3.507 671 V HA 0.745 4.869 4.120 0.005 0.000 0.317 671 V C -1.244 174.932 176.094 0.136 0.000 1.903 671 V CA -0.215 62.173 62.300 0.146 0.000 0.941 671 V CB 0.777 32.643 31.823 0.072 0.000 0.938 671 V HN 1.646 nan 8.190 nan 0.000 0.480 679 G N 1.160 110.092 108.800 0.221 0.000 2.516 679 G HA2 0.264 4.227 3.960 0.005 0.000 0.220 679 G HA3 0.264 4.227 3.960 0.005 0.000 0.220 679 G C -1.201 173.906 174.900 0.345 0.000 1.165 679 G CA 0.263 45.532 45.100 0.282 0.000 1.013 679 G HN 1.720 nan 8.290 nan 0.000 0.590 680 F N 1.942 122.000 119.950 0.181 0.000 2.640 680 F HA 0.833 5.363 4.527 0.005 0.000 0.324 680 F C -1.061 174.860 175.800 0.202 0.000 1.077 680 F CA -0.342 57.785 58.000 0.210 0.000 0.965 680 F CB 2.363 41.516 39.000 0.255 0.000 1.351 680 F HN 1.038 nan 8.300 nan 0.000 0.487 681 D N 2.027 122.052 120.400 -0.625 0.000 2.655 681 D HA 0.528 5.172 4.640 0.005 0.000 0.229 681 D C -2.172 173.778 176.300 -0.583 0.000 1.229 681 D CA -0.350 53.199 54.000 -0.751 0.000 0.807 681 D CB 2.010 42.655 40.800 -0.260 0.000 1.514 681 D HN 0.975 nan 8.370 nan 0.000 0.444 682 L N 0.600 121.467 121.223 -0.592 0.000 2.472 682 L HA 0.604 4.947 4.340 0.005 0.000 0.260 682 L C -1.676 174.899 176.870 -0.492 0.000 0.963 682 L CA -0.934 53.623 54.840 -0.471 0.000 0.829 682 L CB 1.994 43.733 42.059 -0.532 0.000 1.348 682 L HN 0.404 nan 8.230 nan 0.000 0.408 683 F N 4.340 123.971 119.950 -0.532 0.000 2.382 683 F HA 0.450 4.980 4.527 0.005 0.000 0.361 683 F C -0.139 175.388 175.800 -0.456 0.000 1.109 683 F CA -0.338 57.351 58.000 -0.517 0.000 1.031 683 F CB 1.416 39.962 39.000 -0.756 0.000 1.234 683 F HN 0.171 nan 8.300 nan 0.000 0.445 684 L N 4.669 125.718 121.223 -0.291 0.000 2.367 684 L HA 0.347 4.690 4.340 0.005 0.000 0.275 684 L C -0.421 176.380 176.870 -0.116 0.000 1.129 684 L CA -0.222 54.493 54.840 -0.209 0.000 0.839 684 L CB 0.551 42.441 42.059 -0.281 0.000 1.133 684 L HN 0.525 nan 8.230 nan 0.000 0.453 685 Q N 1.867 121.624 119.800 -0.071 0.000 2.325 685 Q HA 0.203 4.546 4.340 0.005 0.000 0.270 685 Q C -1.010 174.977 176.000 -0.021 0.000 1.020 685 Q CA -0.856 54.926 55.803 -0.034 0.000 0.785 685 Q CB 2.293 31.008 28.738 -0.038 0.000 1.259 685 Q HN 0.428 nan 8.270 nan 0.000 0.452 686 D N 2.189 122.578 120.400 -0.018 0.000 2.385 686 D HA -0.078 4.565 4.640 0.005 0.000 0.260 686 D C 0.398 176.701 176.300 0.005 0.000 1.326 686 D CA 0.531 54.525 54.000 -0.010 0.000 1.023 686 D CB 0.788 41.581 40.800 -0.011 0.000 1.083 686 D HN 0.448 nan 8.370 nan 0.000 0.517 687 Q N 2.300 122.103 119.800 0.006 0.000 2.424 687 Q HA 0.313 4.656 4.340 0.005 0.000 0.204 687 Q C -0.426 175.581 176.000 0.012 0.000 0.933 687 Q CA 0.209 56.018 55.803 0.011 0.000 0.929 687 Q CB 0.513 29.258 28.738 0.012 0.000 1.037 687 Q HN 0.531 nan 8.270 nan 0.000 0.511 688 A N -2.160 120.667 122.820 0.012 0.000 2.515 688 A HA 0.676 4.999 4.320 0.005 0.000 0.296 688 A C 0.931 178.523 177.584 0.013 0.000 1.094 688 A CA -0.365 51.680 52.037 0.013 0.000 0.718 688 A CB 0.532 19.540 19.000 0.013 0.000 1.307 688 A HN 0.231 nan 8.150 nan 0.000 0.408 689 G N 0.300 109.108 108.800 0.014 0.000 3.665 689 G HA2 -0.255 3.708 3.960 0.005 0.000 0.251 689 G HA3 -0.255 3.708 3.960 0.005 0.000 0.251 689 G C 0.801 175.711 174.900 0.018 0.000 0.940 689 G CA 1.617 46.727 45.100 0.016 0.000 0.741 689 G HN 1.862 nan 8.290 nan 0.000 1.302 690 V N 1.787 121.711 119.914 0.017 0.000 2.707 690 V HA 0.325 4.449 4.120 0.005 0.000 0.291 690 V C 1.478 177.584 176.094 0.020 0.000 1.002 690 V CA 0.633 62.945 62.300 0.019 0.000 1.200 690 V CB -0.576 31.256 31.823 0.015 0.000 0.854 690 V HN 0.797 nan 8.190 nan 0.000 0.462 691 G N 2.258 111.078 108.800 0.033 0.000 3.374 691 G HA2 0.154 4.117 3.960 0.005 0.000 0.200 691 G HA3 0.154 4.117 3.960 0.005 0.000 0.200 691 G C 0.861 175.792 174.900 0.051 0.000 1.801 691 G CA 0.342 45.466 45.100 0.040 0.000 0.842 691 G HN 0.733 nan 8.290 nan 0.000 0.688 692 H N 0.313 119.382 119.070 -0.001 0.000 2.357 692 H HA -0.112 4.447 4.556 0.005 0.000 0.296 692 H C 2.412 177.736 175.328 -0.008 0.000 1.108 692 H CA 2.629 58.672 56.048 -0.008 0.000 1.273 692 H CB 0.119 29.875 29.762 -0.011 0.000 1.367 692 H HN 0.533 nan 8.280 nan 0.000 0.498 693 E N -0.459 119.831 120.200 0.151 0.000 2.005 693 E HA -0.213 4.140 4.350 0.005 0.000 0.198 693 E C 2.504 179.116 176.600 0.020 0.000 1.010 693 E CA 2.047 58.507 56.400 0.100 0.000 0.825 693 E CB -0.220 29.531 29.700 0.083 0.000 0.769 693 E HN 0.511 nan 8.360 nan 0.000 0.456 694 V N 0.359 120.278 119.914 0.009 0.000 2.332 694 V HA -0.237 3.886 4.120 0.005 0.000 0.248 694 V C 2.323 178.391 176.094 -0.043 0.000 1.055 694 V CA 1.507 63.801 62.300 -0.010 0.000 1.038 694 V CB -0.858 30.963 31.823 -0.003 0.000 0.651 694 V HN 0.253 nan 8.190 nan 0.000 0.450 695 L N -0.088 121.089 121.223 -0.076 0.000 2.017 695 L HA -0.112 4.231 4.340 0.005 0.000 0.208 695 L C 2.498 179.273 176.870 -0.158 0.000 1.073 695 L CA 2.657 57.424 54.840 -0.121 0.000 0.745 695 L CB -0.821 41.144 42.059 -0.156 0.000 0.894 695 L HN 0.523 nan 8.230 nan 0.000 0.432 696 L N 0.176 121.274 121.223 -0.208 0.000 2.131 696 L HA -0.219 4.124 4.340 0.005 0.000 0.210 696 L C 2.566 179.387 176.870 -0.082 0.000 1.092 696 L CA 1.724 56.457 54.840 -0.178 0.000 0.759 696 L CB -0.760 41.200 42.059 -0.166 0.000 0.903 696 L HN 0.410 nan 8.230 nan 0.000 0.435 697 Q N -0.765 119.003 119.800 -0.052 0.000 2.046 697 Q HA -0.184 4.159 4.340 0.005 0.000 0.200 697 Q C 2.185 178.173 176.000 -0.020 0.000 0.975 697 Q CA 1.736 57.526 55.803 -0.022 0.000 0.836 697 Q CB -0.191 28.542 28.738 -0.009 0.000 0.896 697 Q HN 0.627 nan 8.270 nan 0.000 0.428 698 A N 1.200 124.003 122.820 -0.029 0.000 1.940 698 A HA -0.256 4.067 4.320 0.005 0.000 0.219 698 A C 2.069 179.653 177.584 0.001 0.000 1.176 698 A CA 1.723 53.753 52.037 -0.012 0.000 0.631 698 A CB -0.713 18.270 19.000 -0.029 0.000 0.814 698 A HN 0.448 nan 8.150 nan 0.000 0.446 699 R N -0.200 120.269 120.500 -0.053 0.000 2.091 699 R HA -0.211 4.132 4.340 0.005 0.000 0.238 699 R C 1.836 178.143 176.300 0.012 0.000 1.136 699 R CA 2.107 58.167 56.100 -0.066 0.000 0.959 699 R CB -0.346 29.882 30.300 -0.120 0.000 0.856 699 R HN 0.610 nan 8.270 nan 0.000 0.437 700 N N 0.239 118.942 118.700 0.004 0.000 2.109 700 N HA -0.100 4.643 4.740 0.005 0.000 0.188 700 N C 1.397 176.928 175.510 0.035 0.000 1.034 700 N CA 1.406 54.465 53.050 0.015 0.000 0.846 700 N CB -0.055 38.432 38.487 0.001 0.000 1.010 700 N HN 0.159 nan 8.380 nan 0.000 0.425 701 K N 0.098 120.518 120.400 0.032 0.000 2.015 701 K HA -0.222 4.101 4.320 0.005 0.000 0.216 701 K C 1.937 178.559 176.600 0.036 0.000 1.052 701 K CA 1.540 57.840 56.287 0.022 0.000 0.937 701 K CB -0.616 31.895 32.500 0.017 0.000 0.719 701 K HN 0.135 nan 8.250 nan 0.000 0.446 702 F N 1.684 121.597 119.950 -0.062 0.000 2.063 702 F HA -0.276 4.254 4.527 0.005 0.000 0.298 702 F C 2.017 177.788 175.800 -0.049 0.000 1.109 702 F CA 1.319 59.281 58.000 -0.065 0.000 1.212 702 F CB -0.119 38.830 39.000 -0.085 0.000 0.973 702 F HN 0.000 nan 8.300 nan 0.000 0.480 703 L N -0.527 120.842 121.223 0.242 0.000 2.353 703 L HA -0.213 4.130 4.340 0.005 0.000 0.220 703 L C 1.946 178.835 176.870 0.031 0.000 1.133 703 L CA 1.389 56.312 54.840 0.138 0.000 0.798 703 L CB -0.975 41.129 42.059 0.075 0.000 0.922 703 L HN 0.404 nan 8.230 nan 0.000 0.445 704 M N -1.436 118.162 119.600 -0.003 0.000 2.553 704 M HA 0.029 4.512 4.480 0.005 0.000 0.255 704 M C 2.096 178.355 176.300 -0.068 0.000 1.181 704 M CA 1.123 56.405 55.300 -0.029 0.000 1.210 704 M CB -0.275 32.312 32.600 -0.021 0.000 1.280 704 M HN -0.061 nan 8.290 nan 0.000 0.495 705 L N -0.215 120.946 121.223 -0.104 0.000 1.978 705 L HA -0.251 4.092 4.340 0.005 0.000 0.218 705 L C 2.396 179.155 176.870 -0.186 0.000 1.075 705 L CA 1.682 56.434 54.840 -0.147 0.000 0.767 705 L CB -1.142 40.802 42.059 -0.192 0.000 0.890 705 L HN 0.405 nan 8.230 nan 0.000 0.434 706 A N -0.501 122.144 122.820 -0.292 0.000 2.067 706 A HA -0.071 4.252 4.320 0.005 0.000 0.219 706 A C 2.499 180.016 177.584 -0.111 0.000 1.158 706 A CA 1.382 53.250 52.037 -0.283 0.000 0.661 706 A CB -0.610 18.094 19.000 -0.493 0.000 0.801 706 A HN 0.445 nan 8.150 nan 0.000 0.452 707 A N -1.033 121.744 122.820 -0.071 0.000 1.869 707 A HA -0.137 4.186 4.320 0.005 0.000 0.218 707 A C 1.262 178.828 177.584 -0.030 0.000 1.203 707 A CA 1.616 53.636 52.037 -0.029 0.000 0.638 707 A CB -0.297 18.691 19.000 -0.021 0.000 0.831 707 A HN 0.465 nan 8.150 nan 0.000 0.450 708 Q N -0.452 119.322 119.800 -0.044 0.000 2.372 708 Q HA 0.595 4.938 4.340 0.005 0.000 0.259 708 Q C -1.409 174.558 176.000 -0.055 0.000 0.993 708 Q CA 0.114 55.894 55.803 -0.039 0.000 0.854 708 Q CB 0.926 29.645 28.738 -0.031 0.000 1.231 708 Q HN 0.513 nan 8.270 nan 0.000 0.462 709 N N 3.072 121.743 118.700 -0.048 0.000 3.409 709 N HA 0.123 4.866 4.740 0.005 0.000 0.169 709 N C -2.404 173.082 175.510 -0.040 0.000 1.443 709 N CA -0.482 52.534 53.050 -0.056 0.000 0.933 709 N CB 0.800 39.234 38.487 -0.089 0.000 1.669 709 N HN 0.190 nan 8.380 nan 0.000 0.640 710 P HA -0.384 nan 4.420 nan 0.000 0.233 710 P C 1.262 178.553 177.300 -0.015 0.000 1.141 710 P CA 2.470 65.560 63.100 -0.017 0.000 0.951 710 P CB 0.225 31.916 31.700 -0.016 0.000 0.778 711 A N -1.315 121.491 122.820 -0.025 0.000 1.957 711 A HA -0.237 4.086 4.320 0.005 0.000 0.224 711 A C 1.395 178.968 177.584 -0.018 0.000 1.287 711 A CA 1.857 53.877 52.037 -0.028 0.000 0.682 711 A CB -1.598 17.375 19.000 -0.045 0.000 0.833 711 A HN 0.195 nan 8.150 nan 0.000 0.482 712 L N -2.712 118.503 121.223 -0.013 0.000 2.544 712 L HA 0.581 4.924 4.340 0.005 0.000 0.256 712 L C 0.288 177.183 176.870 0.042 0.000 1.097 712 L CA -0.578 54.272 54.840 0.017 0.000 0.812 712 L CB 0.639 42.709 42.059 0.019 0.000 1.440 712 L HN 0.618 nan 8.230 nan 0.000 0.496 713 Q N -0.016 119.831 119.800 0.078 0.000 0.000 713 Q HA 0.195 4.539 4.340 0.005 0.000 0.000 713 Q C -1.015 175.053 176.000 0.114 0.000 0.000 713 Q CA -0.635 55.219 55.803 0.084 0.000 0.000 713 Q CB 1.171 29.962 28.738 0.089 0.000 0.000 713 Q HN 0.630 nan 8.270 nan 0.000 0.000 714 R N 0.678 121.223 120.500 0.074 0.000 3.776 714 R HA -0.157 4.187 4.340 0.005 0.000 0.312 714 R C -0.005 176.309 176.300 0.024 0.000 1.181 714 R CA 0.936 57.053 56.100 0.027 0.000 0.836 714 R CB -2.341 28.037 30.300 0.129 0.000 1.324 714 R HN 0.539 nan 8.270 nan 0.000 0.501 715 V N -0.128 119.829 119.914 0.072 0.000 2.415 715 V HA 0.185 4.308 4.120 0.005 0.000 0.252 715 V C 0.649 176.759 176.094 0.026 0.000 1.043 715 V CA 0.031 62.404 62.300 0.122 0.000 1.149 715 V CB 0.341 32.274 31.823 0.183 0.000 1.143 715 V HN 0.148 nan 8.190 nan 0.000 0.478 716 R N 6.412 126.892 120.500 -0.033 0.000 2.668 716 R HA 0.714 5.057 4.340 0.005 0.000 0.279 716 R C -2.954 173.300 176.300 -0.077 0.000 0.976 716 R CA -2.403 53.630 56.100 -0.112 0.000 0.978 716 R CB 1.845 31.987 30.300 -0.264 0.000 1.133 716 R HN 0.442 nan 8.270 nan 0.000 0.484 717 P HA 0.175 nan 4.420 nan 0.000 0.293 717 P C -1.111 176.126 177.300 -0.105 0.000 1.313 717 P CA -0.307 62.720 63.100 -0.121 0.000 0.787 717 P CB 0.671 32.304 31.700 -0.112 0.000 0.910 718 N N 2.981 121.602 118.700 -0.131 0.000 2.968 718 N HA 0.312 5.055 4.740 0.005 0.000 0.271 718 N C -0.101 175.346 175.510 -0.105 0.000 1.174 718 N CA 0.125 53.126 53.050 -0.082 0.000 1.096 718 N CB -0.130 38.312 38.487 -0.074 0.000 1.403 718 N HN 0.573 nan 8.380 nan 0.000 0.522 719 G N 1.375 110.126 108.800 -0.081 0.000 2.427 719 G HA2 0.361 4.324 3.960 0.005 0.000 0.306 719 G HA3 0.361 4.324 3.960 0.005 0.000 0.306 719 G C -1.351 173.512 174.900 -0.062 0.000 1.280 719 G CA -0.563 44.493 45.100 -0.073 0.000 0.837 719 G HN 0.257 nan 8.290 nan 0.000 0.482 720 M N 0.029 119.597 119.600 -0.054 0.000 2.727 720 M HA 0.568 5.052 4.480 0.005 0.000 0.300 720 M C -0.153 176.114 176.300 -0.054 0.000 1.246 720 M CA -0.819 54.450 55.300 -0.053 0.000 0.835 720 M CB 2.157 34.731 32.600 -0.044 0.000 1.755 720 M HN 0.440 nan 8.290 nan 0.000 0.473 721 S N 0.348 116.014 115.700 -0.055 0.000 2.617 721 S HA 0.248 4.721 4.470 0.005 0.000 0.269 721 S C -0.712 173.835 174.600 -0.089 0.000 1.292 721 S CA -0.764 57.401 58.200 -0.059 0.000 1.010 721 S CB 0.552 63.725 63.200 -0.045 0.000 0.944 721 S HN 0.487 nan 8.310 nan 0.000 0.536 722 D N 1.816 122.132 120.400 -0.140 0.000 2.400 722 D HA 0.214 4.857 4.640 0.005 0.000 0.238 722 D C 0.115 176.188 176.300 -0.380 0.000 1.157 722 D CA 0.501 54.312 54.000 -0.314 0.000 0.889 722 D CB 0.405 40.900 40.800 -0.509 0.000 1.199 722 D HN 0.311 nan 8.370 nan 0.000 0.436 723 E N 0.724 120.670 120.200 -0.422 0.000 2.256 723 E HA 0.360 4.713 4.350 0.005 0.000 0.267 723 E C -2.412 174.207 176.600 0.033 0.000 0.892 723 E CA -2.081 54.234 56.400 -0.141 0.000 0.775 723 E CB 1.597 31.269 29.700 -0.048 0.000 1.207 723 E HN 0.085 nan 8.360 nan 0.000 0.420 724 P HA 0.031 nan 4.420 nan 0.000 0.267 724 P C -0.877 176.670 177.300 0.412 0.000 1.205 724 P CA 0.409 63.779 63.100 0.451 0.000 0.765 724 P CB 0.421 32.267 31.700 0.243 0.000 0.828 725 Q N 2.076 122.158 119.800 0.471 0.000 2.321 725 Q HA 0.289 4.632 4.340 0.005 0.000 0.270 725 Q C -1.210 174.932 176.000 0.236 0.000 1.032 725 Q CA -0.782 55.198 55.803 0.295 0.000 0.784 725 Q CB 2.014 30.835 28.738 0.138 0.000 1.264 725 Q HN 0.414 nan 8.270 nan 0.000 0.448 726 Y N 3.177 123.371 120.300 -0.177 0.000 2.486 726 Y HA 0.116 4.669 4.550 0.005 0.000 0.348 726 Y C -0.058 175.633 175.900 -0.349 0.000 1.000 726 Y CA 0.120 57.865 58.100 -0.592 0.000 1.253 726 Y CB 0.386 38.368 38.460 -0.796 0.000 1.140 726 Y HN 0.295 nan 8.280 nan 0.000 0.526 727 K N 5.751 125.767 120.400 -0.640 0.000 2.107 727 K HA 0.435 4.758 4.320 0.005 0.000 0.251 727 K C -1.220 175.038 176.600 -0.570 0.000 1.012 727 K CA -0.391 55.634 56.287 -0.437 0.000 0.920 727 K CB 0.840 33.173 32.500 -0.278 0.000 1.033 727 K HN 0.789 nan 8.250 nan 0.000 0.478 728 L N 2.393 123.437 121.223 -0.299 0.000 2.386 728 L HA 0.323 4.666 4.340 0.005 0.000 0.271 728 L C -0.467 176.349 176.870 -0.091 0.000 0.993 728 L CA -0.628 54.090 54.840 -0.203 0.000 0.819 728 L CB 2.037 44.026 42.059 -0.115 0.000 1.294 728 L HN 0.469 nan 8.230 nan 0.000 0.414 729 E N 4.802 124.976 120.200 -0.044 0.000 2.182 729 E HA 0.371 4.725 4.350 0.005 0.000 0.258 729 E C -0.870 175.782 176.600 0.088 0.000 0.879 729 E CA -0.433 55.971 56.400 0.008 0.000 0.754 729 E CB 2.513 32.200 29.700 -0.021 0.000 1.162 729 E HN 0.499 nan 8.360 nan 0.000 0.419 730 I N -0.672 119.972 120.570 0.124 0.000 2.339 730 I HA 0.422 4.596 4.170 0.005 0.000 0.290 730 I C -0.159 176.030 176.117 0.120 0.000 0.994 730 I CA -0.805 60.610 61.300 0.192 0.000 1.191 730 I CB 1.337 39.483 38.000 0.244 0.000 1.343 730 I HN -0.025 nan 8.210 nan 0.000 0.458 731 D N 6.313 126.792 120.400 0.133 0.000 2.359 731 D HA 0.040 4.683 4.640 0.005 0.000 0.250 731 D C 0.506 176.824 176.300 0.030 0.000 1.264 731 D CA 0.250 54.295 54.000 0.074 0.000 0.911 731 D CB 1.184 42.033 40.800 0.083 0.000 1.056 731 D HN 0.571 nan 8.370 nan 0.000 0.499 732 D N 1.664 122.072 120.400 0.014 0.000 2.117 732 D HA -0.129 4.514 4.640 0.005 0.000 0.198 732 D C 0.993 177.282 176.300 -0.020 0.000 0.982 732 D CA 1.065 55.057 54.000 -0.013 0.000 0.828 732 D CB 0.232 41.030 40.800 -0.004 0.000 0.967 732 D HN 0.535 nan 8.370 nan 0.000 0.464 733 E N -0.234 119.963 120.200 -0.005 0.000 2.403 733 E HA 0.108 4.461 4.350 0.005 0.000 0.188 733 E C 0.626 177.225 176.600 -0.002 0.000 1.056 733 E CA 0.158 56.555 56.400 -0.006 0.000 0.892 733 E CB 0.376 30.076 29.700 0.000 0.000 1.049 733 E HN 0.163 nan 8.360 nan 0.000 0.465 734 K N -0.939 119.461 120.400 -0.000 0.000 2.585 734 K HA 0.241 4.564 4.320 0.005 0.000 0.210 734 K C 0.956 177.559 176.600 0.006 0.000 1.294 734 K CA 0.186 56.481 56.287 0.013 0.000 1.025 734 K CB 1.305 33.826 32.500 0.034 0.000 1.076 734 K HN -0.010 nan 8.250 nan 0.000 0.613 735 A N 0.649 123.440 122.820 -0.048 0.000 2.192 735 A HA 0.028 4.351 4.320 0.005 0.000 0.208 735 A C 1.787 179.270 177.584 -0.168 0.000 1.220 735 A CA 0.526 52.465 52.037 -0.163 0.000 0.900 735 A CB 0.003 18.792 19.000 -0.353 0.000 0.937 735 A HN 0.162 nan 8.150 nan 0.000 0.487 736 S N 0.498 116.133 115.700 -0.107 0.000 2.474 736 S HA 0.088 4.561 4.470 0.005 0.000 0.235 736 S C 1.894 176.460 174.600 -0.058 0.000 0.997 736 S CA 1.033 59.184 58.200 -0.081 0.000 0.949 736 S CB -0.382 62.785 63.200 -0.054 0.000 0.766 736 S HN 0.762 nan 8.310 nan 0.000 0.517 737 A N 2.396 125.189 122.820 -0.046 0.000 1.845 737 A HA 0.088 4.411 4.320 0.005 0.000 0.215 737 A C 2.088 179.655 177.584 -0.028 0.000 1.195 737 A CA 1.553 53.575 52.037 -0.025 0.000 0.616 737 A CB -0.944 18.051 19.000 -0.009 0.000 0.832 737 A HN 0.487 nan 8.150 nan 0.000 0.443 738 L N -0.944 120.256 121.223 -0.039 0.000 2.353 738 L HA 0.117 4.460 4.340 0.005 0.000 0.220 738 L C 1.884 178.727 176.870 -0.045 0.000 1.133 738 L CA 1.389 56.210 54.840 -0.032 0.000 0.798 738 L CB -0.591 41.450 42.059 -0.030 0.000 0.922 738 L HN 0.706 nan 8.230 nan 0.000 0.445 739 G N -1.155 107.606 108.800 -0.065 0.000 2.159 739 G HA2 -0.239 3.724 3.960 0.005 0.000 0.227 739 G HA3 -0.239 3.724 3.960 0.005 0.000 0.227 739 G C 0.271 175.126 174.900 -0.075 0.000 0.986 739 G CA 0.032 45.099 45.100 -0.056 0.000 0.651 739 G HN 0.186 nan 8.290 nan 0.000 0.523 740 V N 2.290 122.129 119.914 -0.125 0.000 2.583 740 V HA 0.664 4.787 4.120 0.005 0.000 0.287 740 V C 1.015 177.016 176.094 -0.155 0.000 1.051 740 V CA 0.432 62.642 62.300 -0.151 0.000 1.010 740 V CB 1.421 33.096 31.823 -0.247 0.000 0.988 740 V HN 1.298 nan 8.190 nan 0.000 0.478 741 S N 6.440 122.078 115.700 -0.104 0.000 2.548 741 S HA 0.271 4.744 4.470 0.005 0.000 0.277 741 S C 0.875 175.419 174.600 -0.093 0.000 1.315 741 S CA -0.594 57.558 58.200 -0.081 0.000 1.050 741 S CB 1.251 64.426 63.200 -0.042 0.000 0.918 741 S HN 0.625 nan 8.310 nan 0.000 0.497 742 L N 3.484 124.658 121.223 -0.081 0.000 1.990 742 L HA -0.098 4.245 4.340 0.005 0.000 0.213 742 L C 3.012 179.873 176.870 -0.015 0.000 1.072 742 L CA 2.297 57.100 54.840 -0.062 0.000 0.755 742 L CB -1.676 40.364 42.059 -0.031 0.000 0.889 742 L HN 0.906 nan 8.230 nan 0.000 0.432 743 A N -0.684 122.134 122.820 -0.003 0.000 1.927 743 A HA -0.327 3.996 4.320 0.005 0.000 0.220 743 A C 2.246 179.848 177.584 0.030 0.000 1.185 743 A CA 2.325 54.374 52.037 0.020 0.000 0.639 743 A CB -0.848 18.161 19.000 0.014 0.000 0.820 743 A HN 0.516 nan 8.150 nan 0.000 0.451 744 D N -0.295 120.112 120.400 0.012 0.000 2.269 744 D HA -0.083 4.560 4.640 0.005 0.000 0.208 744 D C 1.850 178.185 176.300 0.059 0.000 0.963 744 D CA 1.382 55.398 54.000 0.027 0.000 0.864 744 D CB -0.096 40.707 40.800 0.006 0.000 0.936 744 D HN 0.694 nan 8.370 nan 0.000 0.505 745 I N -2.082 118.514 120.570 0.044 0.000 2.852 745 I HA -0.029 4.144 4.170 0.005 0.000 0.264 745 I C 1.538 177.801 176.117 0.244 0.000 1.179 745 I CA 0.490 61.871 61.300 0.135 0.000 1.480 745 I CB -0.048 37.945 38.000 -0.011 0.000 1.111 745 I HN -0.257 nan 8.210 nan 0.000 0.441 746 N N 1.702 120.497 118.700 0.159 0.000 2.171 746 N HA -0.098 4.645 4.740 0.005 0.000 0.184 746 N C 2.004 177.593 175.510 0.132 0.000 1.021 746 N CA 1.669 54.814 53.050 0.158 0.000 0.854 746 N CB -0.301 38.252 38.487 0.109 0.000 0.994 746 N HN 0.368 nan 8.380 nan 0.000 0.426 747 S N -0.141 115.619 115.700 0.100 0.000 2.365 747 S HA -0.171 4.302 4.470 0.005 0.000 0.225 747 S C 2.029 176.666 174.600 0.063 0.000 1.039 747 S CA 1.844 60.089 58.200 0.075 0.000 1.033 747 S CB -0.628 62.609 63.200 0.061 0.000 0.887 747 S HN 0.500 nan 8.310 nan 0.000 0.447 748 T N 1.077 115.688 114.554 0.094 0.000 2.985 748 T HA 0.031 4.384 4.350 0.005 0.000 0.266 748 T C 1.655 176.302 174.700 -0.089 0.000 1.076 748 T CA 0.806 62.934 62.100 0.045 0.000 1.135 748 T CB -0.237 68.737 68.868 0.177 0.000 0.890 748 T HN 0.152 nan 8.240 nan 0.000 0.480 749 V N 0.959 120.923 119.914 0.083 0.000 2.255 749 V HA -0.085 4.038 4.120 0.005 0.000 0.243 749 V C 2.849 179.015 176.094 0.119 0.000 1.038 749 V CA 2.019 64.418 62.300 0.165 0.000 1.008 749 V CB -0.866 31.156 31.823 0.331 0.000 0.645 749 V HN 0.447 nan 8.190 nan 0.000 0.449 750 S N 0.345 116.109 115.700 0.108 0.000 2.359 750 S HA -0.211 4.262 4.470 0.005 0.000 0.222 750 S C 1.881 176.499 174.600 0.029 0.000 1.038 750 S CA 2.157 60.417 58.200 0.101 0.000 1.051 750 S CB -0.456 62.811 63.200 0.110 0.000 0.944 750 S HN 0.484 nan 8.310 nan 0.000 0.433 751 I N 1.597 122.148 120.570 -0.032 0.000 2.226 751 I HA -0.212 3.962 4.170 0.005 0.000 0.245 751 I C 2.698 178.696 176.117 -0.198 0.000 1.100 751 I CA 1.212 62.473 61.300 -0.064 0.000 1.374 751 I CB -0.594 37.376 38.000 -0.050 0.000 1.057 751 I HN 0.281 nan 8.210 nan 0.000 0.413 752 A N 0.251 122.773 122.820 -0.496 0.000 1.897 752 A HA -0.156 4.167 4.320 0.005 0.000 0.215 752 A C 1.936 179.043 177.584 -0.796 0.000 1.181 752 A CA 1.166 52.599 52.037 -1.007 0.000 0.620 752 A CB -0.742 16.937 19.000 -2.203 0.000 0.821 752 A HN 0.528 nan 8.150 nan 0.000 0.443 753 W N -1.029 120.077 121.300 -0.324 0.000 2.633 753 W HA 0.273 4.936 4.660 0.005 0.000 0.295 753 W C 2.043 178.517 176.519 -0.076 0.000 1.133 753 W CA 0.347 57.568 57.345 -0.208 0.000 1.490 753 W CB -0.327 28.997 29.460 -0.227 0.000 1.127 753 W HN 0.313 nan 8.180 nan 0.000 0.538 754 G N 0.568 109.486 108.800 0.197 0.000 3.678 754 G HA2 0.373 4.336 3.960 0.005 0.000 0.287 754 G HA3 0.373 4.336 3.960 0.005 0.000 0.287 754 G C -0.113 174.879 174.900 0.153 0.000 1.280 754 G CA 0.015 45.210 45.100 0.158 0.000 1.118 754 G HN 0.052 nan 8.290 nan 0.000 0.563 755 S N -1.477 114.300 115.700 0.129 0.000 3.667 755 S HA -0.140 4.333 4.470 0.005 0.000 0.749 755 S C 0.154 174.873 174.600 0.198 0.000 1.786 755 S CA 0.729 59.024 58.200 0.158 0.000 1.763 755 S CB -0.598 62.698 63.200 0.161 0.000 0.356 755 S HN 1.033 nan 8.310 nan 0.000 0.963 756 S N 0.437 116.286 115.700 0.248 0.000 2.614 756 S HA 0.512 4.986 4.470 0.005 0.000 0.275 756 S C -1.343 173.373 174.600 0.194 0.000 1.161 756 S CA -0.608 57.719 58.200 0.212 0.000 0.969 756 S CB 1.005 64.256 63.200 0.086 0.000 1.059 756 S HN 0.820 nan 8.310 nan 0.000 0.482 757 Y N 6.033 126.316 120.300 -0.028 0.000 2.585 757 Y HA 0.380 4.933 4.550 0.005 0.000 0.354 757 Y C 0.672 176.418 175.900 -0.257 0.000 1.024 757 Y CA 0.115 57.949 58.100 -0.443 0.000 1.321 757 Y CB 0.253 38.522 38.460 -0.319 0.000 1.151 757 Y HN 0.497 nan 8.280 nan 0.000 0.525 758 V N 4.949 124.505 119.914 -0.595 0.000 2.403 758 V HA 0.029 4.152 4.120 0.005 0.000 0.239 758 V C 0.552 176.360 176.094 -0.476 0.000 1.041 758 V CA 0.641 62.705 62.300 -0.394 0.000 1.051 758 V CB -0.272 31.410 31.823 -0.235 0.000 0.704 758 V HN 0.751 nan 8.190 nan 0.000 0.472 759 N N -0.792 117.584 118.700 -0.540 0.000 2.494 759 N HA 0.262 5.005 4.740 0.005 0.000 0.270 759 N C -1.914 173.423 175.510 -0.288 0.000 1.285 759 N CA -0.632 52.226 53.050 -0.319 0.000 0.812 759 N CB 2.481 40.904 38.487 -0.107 0.000 1.557 759 N HN 0.106 nan 8.380 nan 0.000 0.487 760 D N 1.143 121.484 120.400 -0.099 0.000 2.175 760 D HA 0.414 5.057 4.640 0.005 0.000 0.248 760 D C -0.717 175.715 176.300 0.221 0.000 1.047 760 D CA 0.098 54.135 54.000 0.061 0.000 0.883 760 D CB 1.154 41.982 40.800 0.047 0.000 1.180 760 D HN 0.339 nan 8.370 nan 0.000 0.438 761 F N -0.243 119.733 119.950 0.042 0.000 2.691 761 F HA 0.689 5.219 4.527 0.005 0.000 0.334 761 F C -1.164 174.682 175.800 0.077 0.000 1.107 761 F CA -1.104 56.959 58.000 0.104 0.000 0.991 761 F CB 1.062 40.199 39.000 0.227 0.000 1.400 761 F HN 0.098 nan 8.300 nan 0.000 0.503 762 I N 1.251 121.679 120.570 -0.236 0.000 2.433 762 I HA 0.266 4.439 4.170 0.005 0.000 0.292 762 I C -1.511 174.371 176.117 -0.391 0.000 1.001 762 I CA -0.518 60.577 61.300 -0.342 0.000 1.119 762 I CB 1.779 39.724 38.000 -0.091 0.000 1.289 762 I HN 0.567 nan 8.210 nan 0.000 0.438 763 D N 6.659 126.821 120.400 -0.396 0.000 2.446 763 D HA 0.272 4.915 4.640 0.005 0.000 0.251 763 D C -0.162 176.106 176.300 -0.054 0.000 1.137 763 D CA -0.604 53.309 54.000 -0.145 0.000 0.890 763 D CB 0.548 41.285 40.800 -0.105 0.000 1.071 763 D HN 0.494 nan 8.370 nan 0.000 0.528 764 R N 2.470 122.968 120.500 -0.003 0.000 3.038 764 R HA -0.174 4.169 4.340 0.005 0.000 0.242 764 R C 0.870 177.151 176.300 -0.031 0.000 0.866 764 R CA 1.067 57.168 56.100 0.000 0.000 0.601 764 R CB -2.343 27.973 30.300 0.028 0.000 1.107 764 R HN 0.724 nan 8.270 nan 0.000 0.492 765 G N -0.319 108.452 108.800 -0.048 0.000 2.611 765 G HA2 -0.365 3.598 3.960 0.005 0.000 0.208 765 G HA3 -0.365 3.598 3.960 0.005 0.000 0.208 765 G C 0.153 175.004 174.900 -0.081 0.000 1.201 765 G CA 0.047 45.111 45.100 -0.059 0.000 0.739 765 G HN 0.724 nan 8.290 nan 0.000 0.528 766 R N 1.432 121.872 120.500 -0.101 0.000 2.490 766 R HA 0.548 4.891 4.340 0.005 0.000 0.280 766 R C 0.535 176.733 176.300 -0.169 0.000 1.077 766 R CA 0.313 56.341 56.100 -0.120 0.000 1.065 766 R CB 1.153 31.381 30.300 -0.119 0.000 1.003 766 R HN 1.170 nan 8.270 nan 0.000 0.470 767 V N 2.829 122.658 119.914 -0.142 0.000 2.465 767 V HA 0.482 4.605 4.120 0.005 0.000 0.279 767 V C -0.524 175.468 176.094 -0.169 0.000 1.045 767 V CA -0.104 62.093 62.300 -0.172 0.000 0.938 767 V CB 0.977 32.749 31.823 -0.084 0.000 0.986 767 V HN 0.882 nan 8.190 nan 0.000 0.467 768 K N 4.641 124.869 120.400 -0.288 0.000 1.884 768 K HA 0.717 5.040 4.320 0.005 0.000 0.250 768 K C -0.825 175.853 176.600 0.131 0.000 1.009 768 K CA -1.176 55.045 56.287 -0.110 0.000 0.925 768 K CB 1.377 33.779 32.500 -0.165 0.000 1.839 768 K HN 0.740 nan 8.250 nan 0.000 0.735 769 R N 0.556 121.275 120.500 0.366 0.000 2.807 769 R HA 0.517 4.860 4.340 0.005 0.000 0.276 769 R C -1.091 175.371 176.300 0.271 0.000 0.979 769 R CA -1.040 55.276 56.100 0.360 0.000 0.928 769 R CB 1.749 32.310 30.300 0.435 0.000 1.191 769 R HN 0.374 nan 8.270 nan 0.000 0.471 770 V N -0.011 119.856 119.914 -0.078 0.000 2.417 770 V HA 0.534 4.658 4.120 0.005 0.000 0.291 770 V C -1.373 174.510 176.094 -0.351 0.000 1.024 770 V CA -0.560 61.568 62.300 -0.286 0.000 0.861 770 V CB 0.914 32.520 31.823 -0.362 0.000 0.985 770 V HN 0.686 nan 8.190 nan 0.000 0.436 771 Y N 4.759 124.953 120.300 -0.177 0.000 2.364 771 Y HA 0.610 5.163 4.550 0.005 0.000 0.340 771 Y C 0.009 175.773 175.900 -0.227 0.000 0.975 771 Y CA -0.598 57.428 58.100 -0.125 0.000 1.089 771 Y CB 2.142 40.571 38.460 -0.052 0.000 1.192 771 Y HN 0.673 nan 8.280 nan 0.000 0.454 772 L N 4.458 125.684 121.223 0.005 0.000 2.295 772 L HA 0.522 4.865 4.340 0.005 0.000 0.285 772 L C -0.759 176.103 176.870 -0.013 0.000 1.035 772 L CA -0.175 54.630 54.840 -0.058 0.000 0.806 772 L CB 1.389 43.424 42.059 -0.040 0.000 1.214 772 L HN 0.731 nan 8.230 nan 0.000 0.426 773 Q N 1.756 121.535 119.800 -0.035 0.000 2.756 773 Q HA 0.349 4.692 4.340 0.005 0.000 0.295 773 Q C -0.885 175.243 176.000 0.214 0.000 0.903 773 Q CA -0.700 55.142 55.803 0.065 0.000 0.768 773 Q CB 2.060 30.879 28.738 0.135 0.000 1.472 773 Q HN 0.766 nan 8.270 nan 0.000 0.416 774 G N 1.453 110.360 108.800 0.179 0.000 2.432 774 G HA2 0.340 4.304 3.960 0.005 0.000 0.257 774 G HA3 0.340 4.304 3.960 0.005 0.000 0.257 774 G C -0.350 174.798 174.900 0.414 0.000 1.238 774 G CA -0.193 45.122 45.100 0.359 0.000 0.838 774 G HN 0.533 nan 8.290 nan 0.000 0.547 775 R N 2.237 122.942 120.500 0.343 0.000 2.802 775 R HA -0.024 4.319 4.340 0.005 0.000 0.264 775 R C -1.233 175.052 176.300 -0.025 0.000 0.996 775 R CA -0.516 55.622 56.100 0.063 0.000 1.123 775 R CB 0.519 30.824 30.300 0.010 0.000 0.996 775 R HN 0.327 nan 8.270 nan 0.000 0.444 776 P HA -0.175 nan 4.420 nan 0.000 0.213 776 P C 0.098 177.374 177.300 -0.041 0.000 1.170 776 P CA 1.605 64.607 63.100 -0.163 0.000 0.898 776 P CB 0.013 31.549 31.700 -0.273 0.000 0.787 777 D N -0.808 119.558 120.400 -0.058 0.000 2.392 777 D HA -0.016 4.628 4.640 0.005 0.000 0.228 777 D C 1.195 177.514 176.300 0.032 0.000 1.003 777 D CA 0.613 54.601 54.000 -0.020 0.000 0.917 777 D CB -0.783 39.989 40.800 -0.046 0.000 0.890 777 D HN 0.126 nan 8.370 nan 0.000 0.532 778 A N 0.736 123.611 122.820 0.092 0.000 2.423 778 A HA 0.281 4.605 4.320 0.005 0.000 0.246 778 A C 0.550 178.411 177.584 0.463 0.000 1.278 778 A CA -0.627 51.521 52.037 0.185 0.000 0.903 778 A CB -0.230 18.844 19.000 0.123 0.000 0.997 778 A HN 0.304 nan 8.150 nan 0.000 0.510 779 R N -1.977 118.733 120.500 0.350 0.000 2.891 779 R HA 0.382 4.725 4.340 0.005 0.000 0.202 779 R C -0.757 175.643 176.300 0.167 0.000 1.510 779 R CA -0.319 56.056 56.100 0.459 0.000 1.294 779 R CB -0.460 30.211 30.300 0.618 0.000 1.556 779 R HN 0.092 nan 8.270 nan 0.000 0.694 780 M N 0.099 119.741 119.600 0.070 0.000 2.180 780 M HA 0.247 4.730 4.480 0.005 0.000 0.289 780 M C -0.567 175.693 176.300 -0.066 0.000 1.089 780 M CA 0.333 55.630 55.300 -0.005 0.000 1.120 780 M CB 0.307 32.906 32.600 -0.002 0.000 1.864 780 M HN 0.378 nan 8.290 nan 0.000 0.636 781 N N -0.042 118.603 118.700 -0.091 0.000 2.262 781 N HA 0.318 5.061 4.740 0.005 0.000 0.295 781 N C -2.295 173.037 175.510 -0.296 0.000 1.161 781 N CA -1.359 51.593 53.050 -0.163 0.000 0.767 781 N CB 2.036 40.480 38.487 -0.071 0.000 1.499 781 N HN -0.291 nan 8.380 nan 0.000 0.476 782 P HA -0.186 nan 4.420 nan 0.000 0.218 782 P C 0.126 177.246 177.300 -0.301 0.000 1.146 782 P CA 1.346 63.998 63.100 -0.747 0.000 0.813 782 P CB 0.036 31.267 31.700 -0.782 0.000 0.778 783 D N -1.704 118.609 120.400 -0.145 0.000 2.347 783 D HA -0.112 4.532 4.640 0.005 0.000 0.215 783 D C 0.975 177.281 176.300 0.011 0.000 0.976 783 D CA 0.637 54.612 54.000 -0.042 0.000 0.884 783 D CB -1.151 39.640 40.800 -0.015 0.000 0.915 783 D HN 0.119 nan 8.370 nan 0.000 0.526 784 D N 0.083 120.502 120.400 0.031 0.000 2.264 784 D HA -0.046 4.597 4.640 0.005 0.000 0.208 784 D C 1.601 178.151 176.300 0.416 0.000 0.966 784 D CA 0.370 54.479 54.000 0.181 0.000 0.864 784 D CB -0.123 40.815 40.800 0.231 0.000 0.933 784 D HN 0.167 nan 8.370 nan 0.000 0.499 785 L N 0.655 122.035 121.223 0.262 0.000 2.201 785 L HA -0.105 4.238 4.340 0.005 0.000 0.212 785 L C 2.356 179.380 176.870 0.256 0.000 1.105 785 L CA 1.072 56.116 54.840 0.340 0.000 0.775 785 L CB -0.710 41.214 42.059 -0.226 0.000 0.913 785 L HN 0.060 nan 8.230 nan 0.000 0.440 786 S N -0.526 115.256 115.700 0.136 0.000 2.371 786 S HA -0.251 4.222 4.470 0.005 0.000 0.224 786 S C 2.012 176.626 174.600 0.022 0.000 1.029 786 S CA 0.928 59.172 58.200 0.073 0.000 0.978 786 S CB -0.529 62.677 63.200 0.011 0.000 0.833 786 S HN 0.407 nan 8.310 nan 0.000 0.466 787 K N 0.074 120.502 120.400 0.046 0.000 2.444 787 K HA -0.118 4.205 4.320 0.005 0.000 0.200 787 K C -0.662 175.847 176.600 -0.152 0.000 1.045 787 K CA 0.629 56.880 56.287 -0.061 0.000 0.934 787 K CB -0.147 32.298 32.500 -0.092 0.000 0.756 787 K HN 0.539 nan 8.250 nan 0.000 0.477 788 W N 0.213 121.519 121.300 0.009 0.000 2.390 788 W HA 0.293 4.956 4.660 0.005 0.000 0.312 788 W C -0.554 176.035 176.519 0.117 0.000 1.123 788 W CA -0.690 56.707 57.345 0.087 0.000 1.202 788 W CB 0.572 30.033 29.460 0.001 0.000 1.251 788 W HN -0.119 nan 8.180 nan 0.000 0.511 789 Y N 1.481 122.012 120.300 0.384 0.000 2.487 789 Y HA 0.643 5.196 4.550 0.005 0.000 0.337 789 Y C -0.055 176.040 175.900 0.325 0.000 1.076 789 Y CA -1.295 56.994 58.100 0.315 0.000 1.115 789 Y CB 1.424 39.987 38.460 0.173 0.000 1.235 789 Y HN -0.037 nan 8.280 nan 0.000 0.468 790 V N 2.573 122.741 119.914 0.423 0.000 2.531 790 V HA 0.417 4.541 4.120 0.005 0.000 0.301 790 V C -0.342 175.870 176.094 0.196 0.000 1.034 790 V CA -1.351 61.116 62.300 0.277 0.000 0.865 790 V CB 1.566 33.506 31.823 0.195 0.000 0.995 790 V HN 0.729 nan 8.190 nan 0.000 0.424 791 R N 3.938 124.526 120.500 0.147 0.000 2.522 791 R HA 0.134 4.477 4.340 0.005 0.000 0.284 791 R C 0.154 176.488 176.300 0.056 0.000 1.032 791 R CA 0.301 56.460 56.100 0.098 0.000 1.049 791 R CB 0.299 30.645 30.300 0.077 0.000 0.956 791 R HN 0.870 nan 8.270 nan 0.000 0.422 792 N N 1.328 120.055 118.700 0.045 0.000 2.364 792 N HA -0.075 4.668 4.740 0.005 0.000 0.264 792 N C 0.377 175.888 175.510 0.001 0.000 1.263 792 N CA -0.633 52.424 53.050 0.012 0.000 0.959 792 N CB 0.761 39.260 38.487 0.021 0.000 1.204 792 N HN 0.727 nan 8.380 nan 0.000 0.550 793 D N 0.085 120.476 120.400 -0.014 0.000 2.200 793 D HA -0.169 4.474 4.640 0.005 0.000 0.192 793 D C -0.150 176.149 176.300 -0.001 0.000 1.008 793 D CA 1.749 55.742 54.000 -0.012 0.000 0.872 793 D CB 0.229 41.019 40.800 -0.017 0.000 0.923 793 D HN 0.184 nan 8.370 nan 0.000 0.447 794 K N -1.048 119.355 120.400 0.005 0.000 2.385 794 K HA 0.481 4.804 4.320 0.005 0.000 0.248 794 K C -0.358 176.253 176.600 0.017 0.000 0.955 794 K CA -0.660 55.633 56.287 0.010 0.000 0.816 794 K CB 1.877 34.382 32.500 0.008 0.000 1.250 794 K HN -0.038 nan 8.250 nan 0.000 0.434 795 G N 2.990 111.801 108.800 0.019 0.000 2.424 795 G HA2 -0.100 3.863 3.960 0.005 0.000 0.291 795 G HA3 -0.100 3.863 3.960 0.005 0.000 0.291 795 G C -0.388 174.530 174.900 0.029 0.000 0.712 795 G CA 0.726 45.841 45.100 0.025 0.000 1.874 795 G HN 0.457 nan 8.290 nan 0.000 0.434 796 E N 2.051 122.277 120.200 0.043 0.000 2.302 796 E HA 0.104 4.457 4.350 0.005 0.000 0.263 796 E C -0.181 176.479 176.600 0.101 0.000 0.897 796 E CA -0.950 55.485 56.400 0.058 0.000 0.809 796 E CB 1.092 30.824 29.700 0.054 0.000 1.270 796 E HN 0.191 nan 8.360 nan 0.000 0.410 797 M N 3.194 122.858 119.600 0.107 0.000 2.685 797 M HA 0.117 4.600 4.480 0.005 0.000 0.316 797 M C -0.336 176.217 176.300 0.421 0.000 1.523 797 M CA -0.056 55.367 55.300 0.205 0.000 1.472 797 M CB -0.626 31.969 32.600 -0.009 0.000 1.525 797 M HN 0.165 nan 8.290 nan 0.000 0.471 798 V N 7.247 127.380 119.914 0.365 0.000 2.408 798 V HA 0.214 4.338 4.120 0.005 0.000 0.267 798 V C -1.867 174.388 176.094 0.268 0.000 1.047 798 V CA -1.436 61.056 62.300 0.319 0.000 0.937 798 V CB 0.777 32.742 31.823 0.237 0.000 0.999 798 V HN 0.547 nan 8.190 nan 0.000 0.472 799 P HA 0.108 nan 4.420 nan 0.000 0.269 799 P C 0.532 177.696 177.300 -0.226 0.000 1.215 799 P CA -0.109 62.730 63.100 -0.434 0.000 0.780 799 P CB 0.522 32.025 31.700 -0.330 0.000 0.898 800 F N 1.466 121.162 119.950 -0.422 0.000 2.293 800 F HA -0.198 4.332 4.527 0.006 0.000 0.300 800 F C 1.769 177.049 175.800 -0.867 0.000 1.086 800 F CA 1.609 59.124 58.000 -0.808 0.000 1.375 800 F CB -0.627 38.162 39.000 -0.353 0.000 1.045 800 F HN 0.348 nan 8.300 nan 0.000 0.516 801 N N 0.498 119.043 118.700 -0.258 0.000 2.069 801 N HA -0.293 4.450 4.740 0.005 0.000 0.196 801 N C 1.916 177.313 175.510 -0.188 0.000 1.024 801 N CA 1.631 54.582 53.050 -0.166 0.000 0.869 801 N CB -0.637 37.804 38.487 -0.077 0.000 1.035 801 N HN 0.291 nan 8.380 nan 0.000 0.434 802 A N -0.015 122.708 122.820 -0.162 0.000 2.148 802 A HA -0.134 4.189 4.320 0.005 0.000 0.222 802 A C 0.982 178.669 177.584 0.172 0.000 1.161 802 A CA 1.573 53.648 52.037 0.064 0.000 0.662 802 A CB -0.806 18.341 19.000 0.245 0.000 0.799 802 A HN 0.635 nan 8.150 nan 0.000 0.466 803 F N -5.263 114.654 119.950 -0.055 0.000 3.051 803 F HA 0.668 5.198 4.527 0.005 0.000 0.341 803 F C 0.066 175.869 175.800 0.004 0.000 1.227 803 F CA -0.503 57.459 58.000 -0.062 0.000 1.030 803 F CB -0.253 38.659 39.000 -0.145 0.000 1.381 803 F HN 0.156 nan 8.300 nan 0.000 0.507 804 A N 1.274 123.990 122.820 -0.174 0.000 2.318 804 A HA 0.784 5.107 4.320 0.005 0.000 0.317 804 A C -0.398 177.191 177.584 0.008 0.000 1.159 804 A CA -0.489 51.554 52.037 0.010 0.000 0.799 804 A CB 0.793 19.895 19.000 0.172 0.000 1.194 804 A HN 0.219 nan 8.150 nan 0.000 0.479 805 T N 1.350 115.908 114.554 0.007 0.000 2.829 805 T HA 0.588 4.941 4.350 0.005 0.000 0.280 805 T C 0.411 175.052 174.700 -0.098 0.000 0.999 805 T CA -0.115 61.968 62.100 -0.028 0.000 0.983 805 T CB 1.807 70.659 68.868 -0.026 0.000 0.968 805 T HN 0.924 nan 8.240 nan 0.000 0.446 806 G N 2.269 111.012 108.800 -0.094 0.000 3.161 806 G HA2 0.430 4.394 3.960 0.005 0.000 0.328 806 G HA3 0.430 4.394 3.960 0.005 0.000 0.328 806 G C 0.124 174.838 174.900 -0.310 0.000 1.037 806 G CA -0.502 44.458 45.100 -0.233 0.000 1.416 806 G HN 0.484 nan 8.290 nan 0.000 0.486 807 K N 0.724 120.883 120.400 -0.402 0.000 2.136 807 K HA 0.406 4.729 4.320 0.005 0.000 0.237 807 K C -0.583 175.851 176.600 -0.277 0.000 1.048 807 K CA -0.695 55.450 56.287 -0.236 0.000 0.880 807 K CB 0.491 32.882 32.500 -0.182 0.000 1.105 807 K HN 0.345 nan 8.250 nan 0.000 0.507 808 W N 3.499 124.691 121.300 -0.179 0.000 1.504 808 W HA 0.128 4.791 4.660 0.005 0.000 0.313 808 W C -0.709 175.773 176.519 -0.063 0.000 0.936 808 W CA -0.595 56.688 57.345 -0.104 0.000 1.471 808 W CB 0.044 29.497 29.460 -0.011 0.000 1.627 808 W HN 0.840 nan 8.180 nan 0.000 0.408 809 E N 1.219 121.543 120.200 0.206 0.000 4.127 809 E HA 0.389 4.742 4.350 0.005 0.000 0.334 809 E C -0.838 175.948 176.600 0.309 0.000 1.483 809 E CA -0.134 56.364 56.400 0.165 0.000 1.817 809 E CB 1.082 30.838 29.700 0.092 0.000 1.406 809 E HN 0.218 nan 8.360 nan 0.000 0.813 810 Y N -2.399 117.935 120.300 0.057 0.000 2.457 810 Y HA 0.515 5.068 4.550 0.005 0.000 0.322 810 Y C -1.072 174.824 175.900 -0.007 0.000 1.218 810 Y CA -0.728 57.401 58.100 0.049 0.000 1.116 810 Y CB 0.946 39.442 38.460 0.061 0.000 1.335 810 Y HN 0.708 nan 8.280 nan 0.000 0.452 811 G N 1.590 110.309 108.800 -0.134 0.000 3.247 811 G HA2 0.577 4.541 3.960 0.005 0.000 0.226 811 G HA3 0.577 4.541 3.960 0.005 0.000 0.226 811 G C -1.250 173.468 174.900 -0.303 0.000 1.220 811 G CA -0.601 44.338 45.100 -0.269 0.000 0.875 811 G HN 1.094 nan 8.290 nan 0.000 0.606 812 S N -0.355 115.205 115.700 -0.233 0.000 2.537 812 S HA 0.640 5.113 4.470 0.005 0.000 0.301 812 S C -1.982 172.576 174.600 -0.072 0.000 1.092 812 S CA -1.084 57.041 58.200 -0.125 0.000 1.048 812 S CB 2.640 65.843 63.200 0.005 0.000 1.053 812 S HN 0.205 nan 8.310 nan 0.000 0.501 813 P HA 0.197 nan 4.420 nan 0.000 0.224 813 P C -0.158 177.140 177.300 -0.003 0.000 1.157 813 P CA 0.763 63.849 63.100 -0.023 0.000 0.799 813 P CB 0.236 31.923 31.700 -0.022 0.000 0.809 814 K N 0.493 120.896 120.400 0.005 0.000 2.471 814 K HA 0.377 4.700 4.320 0.005 0.000 0.252 814 K C -1.739 174.886 176.600 0.041 0.000 0.938 814 K CA -0.861 55.441 56.287 0.024 0.000 0.796 814 K CB 1.443 33.955 32.500 0.021 0.000 1.161 814 K HN -0.177 nan 8.250 nan 0.000 0.425 815 L N 4.798 126.052 121.223 0.052 0.000 2.337 815 L HA 0.321 4.664 4.340 0.005 0.000 0.269 815 L C -0.617 176.302 176.870 0.081 0.000 1.018 815 L CA -0.225 54.658 54.840 0.072 0.000 0.876 815 L CB 1.199 43.293 42.059 0.059 0.000 1.236 815 L HN 0.532 nan 8.230 nan 0.000 0.436 816 E N 4.457 124.715 120.200 0.096 0.000 2.229 816 E HA 0.452 4.805 4.350 0.005 0.000 0.283 816 E C -0.539 176.153 176.600 0.153 0.000 1.030 816 E CA -0.526 55.965 56.400 0.152 0.000 0.836 816 E CB 1.318 31.155 29.700 0.228 0.000 1.068 816 E HN 0.385 nan 8.360 nan 0.000 0.401 817 R N 2.163 122.735 120.500 0.120 0.000 2.664 817 R HA 0.363 4.706 4.340 0.005 0.000 0.286 817 R C -0.701 175.632 176.300 0.055 0.000 0.967 817 R CA -0.634 55.520 56.100 0.090 0.000 0.933 817 R CB 1.227 31.548 30.300 0.035 0.000 1.146 817 R HN 0.550 nan 8.270 nan 0.000 0.468 818 Y N 1.273 121.507 120.300 -0.111 0.000 3.248 818 Y HA 0.199 4.752 4.550 0.005 0.000 0.373 818 Y C 0.282 176.075 175.900 -0.177 0.000 1.239 818 Y CA -0.444 57.496 58.100 -0.267 0.000 1.021 818 Y CB 0.510 38.782 38.460 -0.313 0.000 1.195 818 Y HN 0.493 nan 8.280 nan 0.000 0.890 819 N N 1.108 119.797 118.700 -0.018 0.000 2.874 819 N HA 0.189 4.933 4.740 0.005 0.000 0.316 819 N C 0.402 175.890 175.510 -0.037 0.000 1.205 819 N CA 0.706 53.703 53.050 -0.088 0.000 1.180 819 N CB -0.428 38.064 38.487 0.008 0.000 1.450 819 N HN 0.837 nan 8.380 nan 0.000 0.528 820 G N -0.263 108.503 108.800 -0.056 0.000 5.045 820 G HA2 -0.345 3.618 3.960 0.005 0.000 0.229 820 G HA3 -0.345 3.618 3.960 0.005 0.000 0.229 820 G C 0.330 175.231 174.900 0.001 0.000 1.440 820 G CA -0.044 45.040 45.100 -0.027 0.000 0.936 820 G HN 0.348 nan 8.290 nan 0.000 0.690 821 V N 4.748 124.672 119.914 0.016 0.000 2.992 821 V HA 0.212 4.335 4.120 0.005 0.000 0.294 821 V C -1.104 175.018 176.094 0.047 0.000 1.254 821 V CA 0.762 63.080 62.300 0.030 0.000 1.359 821 V CB 0.694 32.537 31.823 0.033 0.000 0.914 821 V HN 0.503 nan 8.190 nan 0.000 0.519 822 P HA 0.599 nan 4.420 nan 0.000 0.274 822 P C -0.572 176.763 177.300 0.059 0.000 1.246 822 P CA 0.057 63.191 63.100 0.056 0.000 0.795 822 P CB 1.031 32.759 31.700 0.047 0.000 1.006 823 A N 0.897 123.762 122.820 0.075 0.000 2.410 823 A HA 0.778 5.101 4.320 0.005 0.000 0.300 823 A C -1.849 175.758 177.584 0.038 0.000 1.077 823 A CA -0.389 51.688 52.037 0.067 0.000 0.610 823 A CB 0.784 19.884 19.000 0.166 0.000 1.371 823 A HN 0.389 nan 8.150 nan 0.000 0.510 824 M N 0.442 119.998 119.600 -0.072 0.000 2.520 824 M HA 0.392 4.875 4.480 0.005 0.000 0.280 824 M C -1.163 174.791 176.300 -0.576 0.000 1.232 824 M CA -0.172 54.987 55.300 -0.235 0.000 0.892 824 M CB 2.093 34.564 32.600 -0.215 0.000 1.728 824 M HN 0.926 nan 8.290 nan 0.000 0.475 825 E N 2.365 122.091 120.200 -0.790 0.000 2.134 825 E HA 0.535 4.889 4.350 0.005 0.000 0.278 825 E C -1.607 174.613 176.600 -0.632 0.000 0.959 825 E CA -0.582 55.131 56.400 -1.145 0.000 0.783 825 E CB 1.533 30.396 29.700 -1.396 0.000 1.095 825 E HN 0.528 nan 8.360 nan 0.000 0.399 826 I N 4.669 124.873 120.570 -0.610 0.000 2.474 826 I HA 0.374 4.547 4.170 0.005 0.000 0.294 826 I C -1.889 173.967 176.117 -0.434 0.000 1.005 826 I CA -0.934 60.107 61.300 -0.432 0.000 1.113 826 I CB 1.276 38.997 38.000 -0.464 0.000 1.289 826 I HN 0.405 nan 8.210 nan 0.000 0.436 827 L N 5.602 126.670 121.223 -0.259 0.000 2.404 827 L HA 1.046 5.389 4.340 0.005 0.000 0.272 827 L C -0.363 176.521 176.870 0.024 0.000 0.980 827 L CA -0.511 54.175 54.840 -0.256 0.000 0.836 827 L CB 1.233 43.215 42.059 -0.128 0.000 1.238 827 L HN 0.767 nan 8.230 nan 0.000 0.408 828 G N 1.917 110.855 108.800 0.231 0.000 2.666 828 G HA2 0.569 4.532 3.960 0.005 0.000 0.303 828 G HA3 0.569 4.532 3.960 0.005 0.000 0.303 828 G C -0.749 174.518 174.900 0.610 0.000 1.412 828 G CA -0.518 44.886 45.100 0.507 0.000 0.979 828 G HN 0.673 nan 8.290 nan 0.000 0.507 829 E N 1.347 121.770 120.200 0.372 0.000 2.435 829 E HA 0.207 4.561 4.350 0.005 0.000 0.254 829 E C -2.221 174.501 176.600 0.202 0.000 1.289 829 E CA -1.041 55.536 56.400 0.296 0.000 0.983 829 E CB 0.604 30.460 29.700 0.261 0.000 1.010 829 E HN 0.258 nan 8.360 nan 0.000 0.509 830 P HA 0.203 nan 4.420 nan 0.000 0.296 830 P C -1.459 175.882 177.300 0.068 0.000 1.310 830 P CA -0.553 62.591 63.100 0.073 0.000 0.900 830 P CB 1.282 33.013 31.700 0.052 0.000 1.111 831 A N 4.016 126.860 122.820 0.040 0.000 2.540 831 A HA 0.324 4.647 4.320 0.005 0.000 0.239 831 A C -2.029 175.573 177.584 0.029 0.000 1.061 831 A CA -0.801 51.256 52.037 0.034 0.000 0.758 831 A CB -1.580 17.429 19.000 0.015 0.000 0.991 831 A HN 0.429 nan 8.150 nan 0.000 0.502 832 P HA 0.079 nan 4.420 nan 0.000 0.264 832 P C 1.124 178.428 177.300 0.006 0.000 1.173 832 P CA 2.007 65.120 63.100 0.022 0.000 0.761 832 P CB 0.300 32.012 31.700 0.021 0.000 0.794 833 G N 0.456 109.255 108.800 -0.002 0.000 2.180 833 G HA2 -0.253 3.710 3.960 0.005 0.000 0.263 833 G HA3 -0.253 3.710 3.960 0.005 0.000 0.263 833 G C -0.226 174.663 174.900 -0.017 0.000 0.989 833 G CA -0.071 45.020 45.100 -0.015 0.000 0.692 833 G HN 0.412 nan 8.290 nan 0.000 0.526 834 L N 0.594 121.812 121.223 -0.008 0.000 2.331 834 L HA 0.717 5.060 4.340 0.005 0.000 0.275 834 L C 1.181 178.046 176.870 -0.009 0.000 1.022 834 L CA -0.118 54.714 54.840 -0.013 0.000 0.812 834 L CB 1.590 43.643 42.059 -0.011 0.000 1.257 834 L HN 0.120 nan 8.230 nan 0.000 0.435 835 S N 0.249 115.938 115.700 -0.019 0.000 2.078 835 S HA 0.169 4.642 4.470 0.005 0.000 0.194 835 S C 0.378 174.968 174.600 -0.016 0.000 1.346 835 S CA -0.210 57.981 58.200 -0.015 0.000 1.309 835 S CB 0.047 63.231 63.200 -0.027 0.000 0.721 835 S HN 0.607 nan 8.310 nan 0.000 0.396 836 S N 0.699 116.379 115.700 -0.033 0.000 2.384 836 S HA 0.365 4.838 4.470 0.005 0.000 0.227 836 S C 1.009 175.557 174.600 -0.087 0.000 1.257 836 S CA -0.461 57.704 58.200 -0.058 0.000 1.249 836 S CB 0.480 63.648 63.200 -0.055 0.000 1.018 836 S HN 0.697 nan 8.310 nan 0.000 0.478 837 G N 1.376 110.133 108.800 -0.071 0.000 2.511 837 G HA2 -0.085 3.878 3.960 0.005 0.000 0.217 837 G HA3 -0.085 3.878 3.960 0.005 0.000 0.217 837 G C 0.725 175.576 174.900 -0.081 0.000 1.133 837 G CA 0.254 45.312 45.100 -0.070 0.000 0.792 837 G HN 0.446 nan 8.290 nan 0.000 0.539 838 D N 1.853 122.192 120.400 -0.102 0.000 2.242 838 D HA -0.211 4.432 4.640 0.005 0.000 0.193 838 D C 2.728 178.943 176.300 -0.142 0.000 1.005 838 D CA 1.895 55.809 54.000 -0.144 0.000 0.856 838 D CB -0.700 39.965 40.800 -0.225 0.000 1.001 838 D HN 0.268 nan 8.370 nan 0.000 0.452 839 A N 0.098 122.788 122.820 -0.217 0.000 1.899 839 A HA -0.391 3.932 4.320 0.005 0.000 0.230 839 A C 2.156 179.778 177.584 0.063 0.000 1.593 839 A CA 3.373 55.298 52.037 -0.187 0.000 0.728 839 A CB -0.920 17.788 19.000 -0.487 0.000 0.848 839 A HN 0.303 nan 8.150 nan 0.000 0.490 840 M N -2.271 117.311 119.600 -0.029 0.000 2.508 840 M HA 0.289 4.773 4.480 0.005 0.000 0.238 840 M C 2.483 178.803 176.300 0.033 0.000 1.210 840 M CA 0.933 56.263 55.300 0.050 0.000 1.231 840 M CB -0.290 32.307 32.600 -0.005 0.000 1.201 840 M HN 0.367 nan 8.290 nan 0.000 0.491 841 A N 0.376 123.190 122.820 -0.009 0.000 2.042 841 A HA -0.088 4.235 4.320 0.005 0.000 0.222 841 A C 1.944 179.515 177.584 -0.023 0.000 1.167 841 A CA 2.394 54.422 52.037 -0.016 0.000 0.649 841 A CB -0.857 18.126 19.000 -0.028 0.000 0.809 841 A HN 0.575 nan 8.150 nan 0.000 0.457 842 A N -1.916 120.887 122.820 -0.029 0.000 2.113 842 A HA 0.411 4.734 4.320 0.005 0.000 0.211 842 A C 1.759 179.314 177.584 -0.049 0.000 2.359 842 A CA 0.640 52.645 52.037 -0.054 0.000 1.274 842 A CB -0.754 18.201 19.000 -0.075 0.000 1.160 842 A HN 0.391 nan 8.150 nan 0.000 0.585 843 V N 1.124 121.022 119.914 -0.027 0.000 2.428 843 V HA -0.312 3.811 4.120 0.005 0.000 0.255 843 V C 2.390 178.539 176.094 0.092 0.000 1.080 843 V CA 2.685 65.021 62.300 0.060 0.000 1.083 843 V CB -0.745 31.189 31.823 0.184 0.000 0.665 843 V HN 0.770 nan 8.190 nan 0.000 0.461 844 E N -1.086 119.200 120.200 0.143 0.000 2.299 844 E HA -0.126 4.227 4.350 0.005 0.000 0.193 844 E C 2.205 178.811 176.600 0.009 0.000 0.998 844 E CA 0.307 56.782 56.400 0.126 0.000 0.851 844 E CB 0.143 30.017 29.700 0.289 0.000 0.795 844 E HN 0.504 nan 8.360 nan 0.000 0.492 845 E N 0.425 120.617 120.200 -0.014 0.000 2.076 845 E HA -0.088 4.265 4.350 0.005 0.000 0.190 845 E C 2.097 178.643 176.600 -0.091 0.000 0.979 845 E CA 0.490 56.865 56.400 -0.043 0.000 0.807 845 E CB -0.033 29.642 29.700 -0.041 0.000 0.761 845 E HN 0.370 nan 8.360 nan 0.000 0.454 846 I N 0.740 121.219 120.570 -0.152 0.000 2.118 846 I HA -0.294 3.879 4.170 0.005 0.000 0.241 846 I C 2.342 178.356 176.117 -0.171 0.000 1.070 846 I CA 1.057 62.209 61.300 -0.247 0.000 1.327 846 I CB -0.510 37.168 38.000 -0.536 0.000 1.034 846 I HN -0.070 nan 8.210 nan 0.000 0.405 847 V N 1.313 121.151 119.914 -0.127 0.000 2.688 847 V HA -0.267 3.857 4.120 0.005 0.000 0.256 847 V C 2.508 178.538 176.094 -0.107 0.000 1.084 847 V CA 1.487 63.716 62.300 -0.119 0.000 1.103 847 V CB -0.952 30.618 31.823 -0.422 0.000 0.688 847 V HN 0.448 nan 8.190 nan 0.000 0.480 848 K N 1.816 122.166 120.400 -0.083 0.000 2.211 848 K HA -0.184 4.139 4.320 0.005 0.000 0.204 848 K C 1.168 177.749 176.600 -0.032 0.000 1.047 848 K CA 1.505 57.767 56.287 -0.042 0.000 0.935 848 K CB -0.026 32.457 32.500 -0.029 0.000 0.728 848 K HN 0.756 nan 8.250 nan 0.000 0.452 849 Q N 1.287 121.062 119.800 -0.043 0.000 2.788 849 Q HA 0.362 4.705 4.340 0.005 0.000 0.285 849 Q C -0.769 175.218 176.000 -0.022 0.000 1.063 849 Q CA -0.378 55.407 55.803 -0.031 0.000 0.958 849 Q CB 0.506 29.221 28.738 -0.038 0.000 1.211 849 Q HN 0.051 nan 8.270 nan 0.000 0.478 850 L N 1.237 122.453 121.223 -0.011 0.000 2.309 850 L HA 0.621 4.964 4.340 0.005 0.000 0.261 850 L C -2.200 174.670 176.870 -0.000 0.000 1.021 850 L CA -2.698 52.141 54.840 -0.000 0.000 0.823 850 L CB 2.067 44.128 42.059 0.005 0.000 1.366 850 L HN 0.318 nan 8.230 nan 0.000 0.423 851 P HA -0.062 nan 4.420 nan 0.000 0.258 851 P C -0.628 176.674 177.300 0.004 0.000 1.172 851 P CA -0.001 63.100 63.100 0.000 0.000 0.762 851 P CB 0.146 31.844 31.700 -0.003 0.000 0.764 852 K N 3.081 123.484 120.400 0.006 0.000 2.367 852 K HA 0.087 4.410 4.320 0.005 0.000 0.275 852 K C 1.287 177.893 176.600 0.010 0.000 1.125 852 K CA 1.387 57.680 56.287 0.010 0.000 1.133 852 K CB -0.912 31.593 32.500 0.010 0.000 0.875 852 K HN 0.824 nan 8.250 nan 0.000 0.467 853 G N 1.909 110.716 108.800 0.013 0.000 2.367 853 G HA2 -0.213 3.750 3.960 0.005 0.000 0.181 853 G HA3 -0.213 3.750 3.960 0.005 0.000 0.181 853 G C -0.468 174.438 174.900 0.010 0.000 1.000 853 G CA -0.056 45.051 45.100 0.012 0.000 0.693 853 G HN 0.544 nan 8.290 nan 0.000 0.480 854 V N 1.982 121.900 119.914 0.007 0.000 2.347 854 V HA 0.822 4.946 4.120 0.005 0.000 0.280 854 V C 0.784 176.891 176.094 0.021 0.000 1.021 854 V CA 0.746 63.046 62.300 0.001 0.000 0.847 854 V CB 0.814 32.626 31.823 -0.018 0.000 0.990 854 V HN 0.930 nan 8.190 nan 0.000 0.444 855 G N 5.658 114.478 108.800 0.034 0.000 2.606 855 G HA2 0.684 4.647 3.960 0.005 0.000 0.262 855 G HA3 0.684 4.647 3.960 0.005 0.000 0.262 855 G C -0.983 173.993 174.900 0.128 0.000 1.394 855 G CA -0.145 45.012 45.100 0.096 0.000 1.044 855 G HN 1.270 nan 8.290 nan 0.000 0.553 856 Y N -3.502 116.704 120.300 -0.157 0.000 2.725 856 Y HA 0.760 5.313 4.550 0.005 0.000 0.333 856 Y C -0.784 174.926 175.900 -0.315 0.000 1.242 856 Y CA -1.210 56.725 58.100 -0.276 0.000 1.059 856 Y CB 1.339 39.597 38.460 -0.336 0.000 1.306 856 Y HN 0.580 nan 8.280 nan 0.000 0.454 857 S N 0.247 115.554 115.700 -0.653 0.000 2.535 857 S HA 0.352 4.825 4.470 0.005 0.000 0.272 857 S C -1.932 172.325 174.600 -0.572 0.000 1.149 857 S CA -0.843 56.939 58.200 -0.696 0.000 0.888 857 S CB 0.903 63.701 63.200 -0.670 0.000 1.110 857 S HN 0.666 nan 8.310 nan 0.000 0.463 858 W N 1.280 122.480 121.300 -0.167 0.000 2.283 858 W HA 0.701 5.364 4.660 0.005 0.000 0.341 858 W C 0.819 177.299 176.519 -0.064 0.000 1.206 858 W CA 0.003 57.359 57.345 0.018 0.000 1.294 858 W CB 0.910 30.481 29.460 0.185 0.000 1.154 858 W HN 0.470 nan 8.180 nan 0.000 0.613 859 T N -0.177 114.525 114.554 0.247 0.000 2.769 859 T HA 0.528 4.881 4.350 0.005 0.000 0.306 859 T C 0.254 175.079 174.700 0.209 0.000 1.400 859 T CA 0.293 62.391 62.100 -0.004 0.000 1.007 859 T CB 0.880 69.649 68.868 -0.165 0.000 1.392 859 T HN 1.034 nan 8.240 nan 0.000 0.500 860 G N 1.258 110.210 108.800 0.252 0.000 2.574 860 G HA2 -0.243 3.720 3.960 0.005 0.000 0.282 860 G HA3 -0.243 3.720 3.960 0.005 0.000 0.282 860 G C 1.106 176.173 174.900 0.278 0.000 1.257 860 G CA 0.512 45.776 45.100 0.274 0.000 0.956 860 G HN 1.511 nan 8.290 nan 0.000 0.560 861 L N -2.038 119.308 121.223 0.204 0.000 2.349 861 L HA 0.138 4.481 4.340 0.005 0.000 0.220 861 L C 2.201 179.179 176.870 0.179 0.000 1.130 861 L CA 2.662 57.607 54.840 0.176 0.000 0.791 861 L CB -0.473 41.679 42.059 0.156 0.000 0.918 861 L HN 0.347 nan 8.230 nan 0.000 0.444 862 S N -1.257 114.590 115.700 0.245 0.000 2.524 862 S HA -0.006 4.467 4.470 0.005 0.000 0.216 862 S C 1.494 176.244 174.600 0.250 0.000 0.987 862 S CA 0.006 58.363 58.200 0.262 0.000 0.909 862 S CB -0.237 63.238 63.200 0.460 0.000 0.781 862 S HN 0.662 nan 8.310 nan 0.000 0.521 863 Y N 3.327 123.736 120.300 0.182 0.000 2.184 863 Y HA -0.077 4.476 4.550 0.005 0.000 0.290 863 Y C 2.173 178.122 175.900 0.080 0.000 1.129 863 Y CA 1.843 60.052 58.100 0.182 0.000 1.144 863 Y CB -0.348 38.279 38.460 0.279 0.000 0.995 863 Y HN 0.373 nan 8.280 nan 0.000 0.513 864 E N -1.022 119.084 120.200 -0.157 0.000 2.102 864 E HA -0.072 4.281 4.350 0.005 0.000 0.190 864 E C 1.070 177.520 176.600 -0.250 0.000 0.971 864 E CA 0.726 56.935 56.400 -0.319 0.000 0.821 864 E CB -0.494 29.102 29.700 -0.175 0.000 0.777 864 E HN 0.339 nan 8.360 nan 0.000 0.460 865 E N 1.119 121.213 120.200 -0.176 0.000 2.381 865 E HA -0.014 4.339 4.350 0.005 0.000 0.198 865 E C 0.034 176.510 176.600 -0.206 0.000 1.204 865 E CA 0.337 56.596 56.400 -0.234 0.000 0.998 865 E CB 0.064 29.663 29.700 -0.169 0.000 1.080 865 E HN 0.077 nan 8.360 nan 0.000 0.481 866 R N -0.445 119.921 120.500 -0.224 0.000 2.429 866 R HA 0.194 4.537 4.340 0.005 0.000 0.189 866 R C -0.294 175.848 176.300 -0.264 0.000 1.106 866 R CA 0.149 56.106 56.100 -0.239 0.000 1.138 866 R CB -0.787 29.358 30.300 -0.259 0.000 1.323 866 R HN 0.178 nan 8.270 nan 0.000 0.756 867 L N -2.161 118.911 121.223 -0.253 0.000 3.160 867 L HA 0.216 4.559 4.340 0.005 0.000 0.335 867 L C 0.950 177.693 176.870 -0.211 0.000 1.008 867 L CA 0.428 55.130 54.840 -0.229 0.000 1.459 867 L CB 0.328 42.235 42.059 -0.254 0.000 2.451 867 L HN 0.070 nan 8.230 nan 0.000 0.588 868 S N -0.628 114.919 115.700 -0.255 0.000 2.499 868 S HA 0.356 4.829 4.470 0.005 0.000 0.225 868 S C 0.622 175.133 174.600 -0.148 0.000 1.050 868 S CA 0.686 58.767 58.200 -0.198 0.000 0.928 868 S CB 1.011 64.069 63.200 -0.237 0.000 0.803 868 S HN 0.365 nan 8.310 nan 0.000 0.506 869 G N 0.637 109.329 108.800 -0.180 0.000 2.701 869 G HA2 0.504 4.468 3.960 0.005 0.000 0.300 869 G HA3 0.504 4.468 3.960 0.005 0.000 0.300 869 G C -0.552 174.234 174.900 -0.190 0.000 1.410 869 G CA -0.361 44.641 45.100 -0.163 0.000 1.014 869 G HN 0.283 nan 8.290 nan 0.000 0.509 870 S N 0.434 116.049 115.700 -0.140 0.000 2.565 870 S HA 0.151 4.625 4.470 0.005 0.000 0.207 870 S C -0.253 174.290 174.600 -0.095 0.000 0.769 870 S CA -0.638 57.480 58.200 -0.136 0.000 0.945 870 S CB -0.371 62.752 63.200 -0.129 0.000 1.653 870 S HN 0.580 nan 8.310 nan 0.000 0.509 871 Q N 0.849 120.596 119.800 -0.088 0.000 2.237 871 Q HA 0.918 5.262 4.340 0.005 0.000 0.219 871 Q C 0.924 176.841 176.000 -0.139 0.000 0.999 871 Q CA 0.109 55.855 55.803 -0.096 0.000 0.959 871 Q CB 0.950 29.630 28.738 -0.097 0.000 1.173 871 Q HN 0.829 nan 8.270 nan 0.000 0.527 872 A N -1.194 121.494 122.820 -0.220 0.000 3.091 872 A HA 0.049 4.372 4.320 0.005 0.000 0.187 872 A C -1.613 175.752 177.584 -0.364 0.000 1.645 872 A CA 0.108 51.970 52.037 -0.292 0.000 1.370 872 A CB -1.268 17.659 19.000 -0.123 0.000 1.098 872 A HN 0.613 nan 8.150 nan 0.000 0.374 873 P HA 0.172 nan 4.420 nan 0.000 0.216 873 P C 1.719 179.024 177.300 0.008 0.000 1.154 873 P CA 2.153 65.262 63.100 0.015 0.000 0.857 873 P CB -0.118 31.590 31.700 0.013 0.000 0.787 874 A N 0.356 123.174 122.820 -0.004 0.000 1.986 874 A HA -0.206 4.117 4.320 0.005 0.000 0.220 874 A C 2.059 179.740 177.584 0.162 0.000 1.171 874 A CA 2.074 54.172 52.037 0.102 0.000 0.640 874 A CB -1.672 17.443 19.000 0.191 0.000 0.811 874 A HN 0.254 nan 8.150 nan 0.000 0.451 875 L N -2.057 119.118 121.223 -0.081 0.000 1.988 875 L HA -0.081 4.262 4.340 0.005 0.000 0.207 875 L C 2.254 179.126 176.870 0.002 0.000 1.071 875 L CA 1.961 56.762 54.840 -0.064 0.000 0.744 875 L CB -1.670 39.966 42.059 -0.705 0.000 0.893 875 L HN 0.415 nan 8.230 nan 0.000 0.433 876 Y N 0.788 121.071 120.300 -0.029 0.000 2.069 876 Y HA -0.360 4.193 4.550 0.005 0.000 0.278 876 Y C 2.757 178.670 175.900 0.022 0.000 1.175 876 Y CA 1.532 59.627 58.100 -0.010 0.000 1.134 876 Y CB -0.848 37.600 38.460 -0.019 0.000 0.965 876 Y HN 0.449 nan 8.280 nan 0.000 0.498 877 A N 0.536 123.476 122.820 0.200 0.000 1.849 877 A HA -0.230 4.093 4.320 0.005 0.000 0.217 877 A C 2.193 179.845 177.584 0.113 0.000 1.202 877 A CA 1.889 54.003 52.037 0.128 0.000 0.629 877 A CB -1.106 17.954 19.000 0.101 0.000 0.834 877 A HN 0.392 nan 8.150 nan 0.000 0.447 878 L N -0.047 121.253 121.223 0.127 0.000 1.971 878 L HA -0.203 4.140 4.340 0.005 0.000 0.215 878 L C 2.862 179.791 176.870 0.099 0.000 1.072 878 L CA 2.507 57.412 54.840 0.109 0.000 0.758 878 L CB -1.634 40.508 42.059 0.138 0.000 0.889 878 L HN 0.453 nan 8.230 nan 0.000 0.433 879 S N -0.062 115.706 115.700 0.114 0.000 2.368 879 S HA -0.213 4.260 4.470 0.005 0.000 0.226 879 S C 1.963 176.602 174.600 0.066 0.000 1.044 879 S CA 1.204 59.450 58.200 0.077 0.000 1.062 879 S CB -0.324 62.919 63.200 0.072 0.000 0.931 879 S HN 0.275 nan 8.310 nan 0.000 0.440 880 L N 0.636 121.910 121.223 0.087 0.000 2.017 880 L HA -0.045 4.298 4.340 0.005 0.000 0.208 880 L C 2.390 179.323 176.870 0.106 0.000 1.073 880 L CA 1.271 56.160 54.840 0.082 0.000 0.745 880 L CB -1.345 40.760 42.059 0.077 0.000 0.894 880 L HN 0.338 nan 8.230 nan 0.000 0.432 881 L N -0.521 120.760 121.223 0.096 0.000 2.127 881 L HA -0.149 4.194 4.340 0.005 0.000 0.211 881 L C 2.356 179.323 176.870 0.162 0.000 1.089 881 L CA 1.507 56.417 54.840 0.117 0.000 0.757 881 L CB -0.552 41.553 42.059 0.076 0.000 0.899 881 L HN -0.066 nan 8.230 nan 0.000 0.434 882 V N -1.692 118.285 119.914 0.105 0.000 2.346 882 V HA -0.170 3.953 4.120 0.005 0.000 0.244 882 V C 2.463 178.594 176.094 0.061 0.000 1.037 882 V CA 1.278 63.623 62.300 0.075 0.000 1.029 882 V CB -0.045 31.802 31.823 0.041 0.000 0.663 882 V HN 0.258 nan 8.190 nan 0.000 0.454 883 V N -0.007 119.938 119.914 0.052 0.000 2.453 883 V HA -0.302 3.821 4.120 0.005 0.000 0.252 883 V C 2.120 178.240 176.094 0.044 0.000 1.068 883 V CA 2.539 64.851 62.300 0.021 0.000 1.070 883 V CB -0.808 31.021 31.823 0.010 0.000 0.664 883 V HN 0.606 nan 8.190 nan 0.000 0.461 884 F N 0.328 120.256 119.950 -0.037 0.000 2.039 884 F HA -0.153 4.377 4.527 0.005 0.000 0.294 884 F C 2.076 177.859 175.800 -0.028 0.000 1.130 884 F CA 1.631 59.597 58.000 -0.057 0.000 1.189 884 F CB -0.534 38.430 39.000 -0.059 0.000 0.983 884 F HN 0.031 nan 8.300 nan 0.000 0.471 885 L N 0.620 121.833 121.223 -0.016 0.000 2.064 885 L HA -0.328 4.015 4.340 0.005 0.000 0.216 885 L C 2.734 179.483 176.870 -0.201 0.000 1.077 885 L CA 1.664 56.447 54.840 -0.095 0.000 0.766 885 L CB -1.743 40.372 42.059 0.093 0.000 0.890 885 L HN 0.430 nan 8.230 nan 0.000 0.435 886 C N -1.272 117.940 119.300 -0.147 0.000 2.436 886 C HA -0.161 4.302 4.460 0.005 0.000 0.277 886 C C 2.803 177.641 174.990 -0.254 0.000 1.241 886 C CA 0.406 59.323 59.018 -0.168 0.000 1.721 886 C CB -0.850 26.820 27.740 -0.117 0.000 2.043 886 C HN 0.468 nan 8.230 nan 0.000 0.472 887 L N 0.825 121.890 121.223 -0.264 0.000 2.191 887 L HA -0.150 4.193 4.340 0.005 0.000 0.212 887 L C 2.710 179.382 176.870 -0.330 0.000 1.103 887 L CA 1.406 56.073 54.840 -0.289 0.000 0.769 887 L CB -0.661 41.312 42.059 -0.145 0.000 0.908 887 L HN 0.367 nan 8.230 nan 0.000 0.438 888 A N -0.458 122.071 122.820 -0.484 0.000 2.119 888 A HA 0.036 4.359 4.320 0.005 0.000 0.217 888 A C 2.362 179.672 177.584 -0.455 0.000 1.153 888 A CA 1.374 53.090 52.037 -0.536 0.000 0.692 888 A CB -0.274 18.278 19.000 -0.747 0.000 0.799 888 A HN 0.410 nan 8.150 nan 0.000 0.458 889 A N -0.717 121.879 122.820 -0.373 0.000 1.901 889 A HA 0.227 4.550 4.320 0.005 0.000 0.210 889 A C 1.921 179.330 177.584 -0.292 0.000 1.208 889 A CA 0.827 52.679 52.037 -0.308 0.000 0.644 889 A CB -0.536 18.319 19.000 -0.242 0.000 0.863 889 A HN 0.353 nan 8.150 nan 0.000 0.454 890 L N -0.872 120.130 121.223 -0.369 0.000 2.103 890 L HA -0.211 4.132 4.340 0.005 0.000 0.215 890 L C 1.549 178.125 176.870 -0.490 0.000 1.080 890 L CA 2.213 56.755 54.840 -0.497 0.000 0.764 890 L CB -0.997 40.603 42.059 -0.766 0.000 0.890 890 L HN 0.584 nan 8.230 nan 0.000 0.435 891 Y N -1.088 119.111 120.300 -0.168 0.000 2.481 891 Y HA 0.200 4.753 4.550 0.005 0.000 0.247 891 Y C 1.027 176.829 175.900 -0.163 0.000 1.151 891 Y CA -1.066 56.949 58.100 -0.143 0.000 1.238 891 Y CB 0.107 38.489 38.460 -0.131 0.000 1.179 891 Y HN 0.090 nan 8.280 nan 0.000 0.524 892 E N 1.447 121.579 120.200 -0.115 0.000 2.403 892 E HA -0.207 4.146 4.350 0.005 0.000 0.241 892 E C -0.443 176.035 176.600 -0.203 0.000 1.201 892 E CA 1.169 57.458 56.400 -0.185 0.000 0.721 892 E CB -1.310 28.319 29.700 -0.117 0.000 1.245 892 E HN 0.455 nan 8.360 nan 0.000 0.392 893 S N -2.667 112.900 115.700 -0.221 0.000 2.546 893 S HA 0.475 4.949 4.470 0.005 0.000 0.272 893 S C 0.581 175.053 174.600 -0.213 0.000 1.140 893 S CA -0.746 57.339 58.200 -0.191 0.000 0.920 893 S CB 0.734 63.925 63.200 -0.014 0.000 1.083 893 S HN 0.205 nan 8.310 nan 0.000 0.476 894 W N 1.866 123.188 121.300 0.035 0.000 2.465 894 W HA -0.042 4.621 4.660 0.005 0.000 0.268 894 W C 2.574 179.198 176.519 0.175 0.000 1.242 894 W CA 0.895 58.285 57.345 0.076 0.000 1.248 894 W CB -0.128 29.445 29.460 0.187 0.000 1.118 894 W HN 0.899 nan 8.180 nan 0.000 0.587 895 S N 1.172 117.102 115.700 0.383 0.000 2.294 895 S HA -0.191 4.282 4.470 0.005 0.000 0.203 895 S C 1.880 176.699 174.600 0.364 0.000 1.022 895 S CA 0.928 59.392 58.200 0.440 0.000 0.955 895 S CB -1.347 62.033 63.200 0.300 0.000 0.943 895 S HN 0.357 nan 8.310 nan 0.000 0.472 896 I N 2.567 123.246 120.570 0.182 0.000 2.300 896 I HA -0.061 4.112 4.170 0.005 0.000 0.252 896 I C -1.159 174.982 176.117 0.039 0.000 1.119 896 I CA 1.213 62.568 61.300 0.093 0.000 1.384 896 I CB -1.641 36.302 38.000 -0.095 0.000 1.062 896 I HN 0.174 nan 8.210 nan 0.000 0.426 897 P HA -0.234 nan 4.420 nan 0.000 0.220 897 P C 1.525 178.839 177.300 0.023 0.000 1.155 897 P CA 1.946 65.046 63.100 -0.001 0.000 0.880 897 P CB -0.322 31.236 31.700 -0.235 0.000 0.790 898 F N 0.285 120.356 119.950 0.202 0.000 2.161 898 F HA -0.188 4.343 4.527 0.005 0.000 0.300 898 F C 2.460 178.263 175.800 0.004 0.000 1.089 898 F CA 1.847 59.914 58.000 0.112 0.000 1.282 898 F CB -1.736 37.319 39.000 0.092 0.000 1.010 898 F HN 0.001 nan 8.300 nan 0.000 0.485 899 S N -0.850 114.985 115.700 0.224 0.000 2.528 899 S HA -0.090 4.383 4.470 0.005 0.000 0.244 899 S C 1.603 176.288 174.600 0.141 0.000 0.982 899 S CA 1.248 59.571 58.200 0.205 0.000 0.953 899 S CB -0.820 62.518 63.200 0.229 0.000 0.754 899 S HN 0.173 nan 8.310 nan 0.000 0.529 900 V N 0.158 120.130 119.914 0.097 0.000 2.911 900 V HA 0.158 4.281 4.120 0.005 0.000 0.237 900 V C 2.357 178.494 176.094 0.071 0.000 1.156 900 V CA 0.528 62.884 62.300 0.094 0.000 1.180 900 V CB -0.392 31.499 31.823 0.113 0.000 0.932 900 V HN 0.318 nan 8.190 nan 0.000 0.483 901 M N 0.271 119.918 119.600 0.078 0.000 2.143 901 M HA -0.148 4.335 4.480 0.005 0.000 0.258 901 M C 1.904 178.230 176.300 0.043 0.000 1.071 901 M CA 1.705 57.055 55.300 0.083 0.000 1.088 901 M CB -1.275 31.409 32.600 0.140 0.000 1.360 901 M HN 0.242 nan 8.290 nan 0.000 0.404 902 L N -0.651 120.533 121.223 -0.066 0.000 2.622 902 L HA -0.041 4.302 4.340 0.005 0.000 0.233 902 L C 2.058 178.926 176.870 -0.003 0.000 1.156 902 L CA 0.609 55.324 54.840 -0.208 0.000 0.866 902 L CB -0.938 40.502 42.059 -1.032 0.000 0.980 902 L HN 0.057 nan 8.230 nan 0.000 0.448 903 V N -2.435 117.523 119.914 0.073 0.000 2.951 903 V HA -0.127 3.997 4.120 0.005 0.000 0.255 903 V C 2.286 178.444 176.094 0.105 0.000 1.088 903 V CA 0.633 63.026 62.300 0.154 0.000 1.109 903 V CB -0.125 31.782 31.823 0.139 0.000 0.724 903 V HN 0.216 nan 8.190 nan 0.000 0.471 904 V N 0.745 120.701 119.914 0.070 0.000 2.231 904 V HA -0.222 3.901 4.120 0.005 0.000 0.248 904 V C 0.327 176.430 176.094 0.014 0.000 1.054 904 V CA 2.807 65.127 62.300 0.034 0.000 1.015 904 V CB -1.940 29.896 31.823 0.023 0.000 0.638 904 V HN 0.501 nan 8.190 nan 0.000 0.444 905 P HA -0.182 nan 4.420 nan 0.000 0.216 905 P C 1.803 179.059 177.300 -0.074 0.000 1.157 905 P CA 1.670 64.738 63.100 -0.053 0.000 0.880 905 P CB -0.289 31.341 31.700 -0.117 0.000 0.791 906 L N -3.843 117.361 121.223 -0.032 0.000 2.549 906 L HA 0.119 4.462 4.340 0.005 0.000 0.229 906 L C 2.142 178.999 176.870 -0.022 0.000 1.158 906 L CA 1.500 56.308 54.840 -0.054 0.000 0.842 906 L CB -1.537 40.505 42.059 -0.029 0.000 0.952 906 L HN -0.043 nan 8.230 nan 0.000 0.452 907 G N -0.039 108.756 108.800 -0.008 0.000 2.576 907 G HA2 0.031 3.994 3.960 0.005 0.000 0.210 907 G HA3 0.031 3.994 3.960 0.005 0.000 0.210 907 G C 1.426 176.306 174.900 -0.033 0.000 1.143 907 G CA 0.518 45.617 45.100 -0.003 0.000 0.819 907 G HN 0.124 nan 8.290 nan 0.000 0.534 908 V N 2.767 122.646 119.914 -0.059 0.000 2.233 908 V HA -0.079 4.044 4.120 0.005 0.000 0.247 908 V C 1.972 178.002 176.094 -0.107 0.000 1.050 908 V CA 1.510 63.755 62.300 -0.092 0.000 1.010 908 V CB -0.793 30.962 31.823 -0.114 0.000 0.637 908 V HN 0.557 nan 8.190 nan 0.000 0.444 909 I N -1.120 119.376 120.570 -0.123 0.000 3.381 909 I HA 0.448 4.621 4.170 0.005 0.000 0.275 909 I C 1.595 177.683 176.117 -0.050 0.000 1.252 909 I CA 0.490 61.727 61.300 -0.106 0.000 1.292 909 I CB -0.364 37.574 38.000 -0.103 0.000 1.396 909 I HN 0.423 nan 8.210 nan 0.000 0.637 910 G N 1.947 110.730 108.800 -0.029 0.000 2.562 910 G HA2 -0.405 3.558 3.960 0.005 0.000 0.241 910 G HA3 -0.405 3.558 3.960 0.005 0.000 0.241 910 G C 1.109 176.023 174.900 0.024 0.000 1.120 910 G CA 1.037 46.136 45.100 -0.001 0.000 0.673 910 G HN 1.394 nan 8.290 nan 0.000 0.519 911 A N 0.230 123.069 122.820 0.031 0.000 1.855 911 A HA 0.494 4.817 4.320 0.005 0.000 0.213 911 A C 2.502 180.210 177.584 0.207 0.000 1.195 911 A CA 1.818 53.914 52.037 0.099 0.000 0.610 911 A CB -0.408 18.609 19.000 0.028 0.000 0.837 911 A HN 0.753 nan 8.150 nan 0.000 0.444 912 L N -0.282 121.012 121.223 0.118 0.000 2.017 912 L HA -0.182 4.161 4.340 0.005 0.000 0.208 912 L C 2.615 179.465 176.870 -0.033 0.000 1.073 912 L CA 1.055 55.895 54.840 -0.001 0.000 0.745 912 L CB -0.589 41.344 42.059 -0.209 0.000 0.894 912 L HN 0.385 nan 8.230 nan 0.000 0.432 913 L N -0.395 120.814 121.223 -0.024 0.000 1.989 913 L HA -0.256 4.088 4.340 0.005 0.000 0.211 913 L C 2.937 179.810 176.870 0.006 0.000 1.071 913 L CA 1.429 56.261 54.840 -0.013 0.000 0.749 913 L CB -0.936 41.120 42.059 -0.005 0.000 0.890 913 L HN 0.271 nan 8.230 nan 0.000 0.431 914 A N 0.351 123.189 122.820 0.030 0.000 1.917 914 A HA -0.261 4.062 4.320 0.005 0.000 0.219 914 A C 2.354 179.963 177.584 0.042 0.000 1.182 914 A CA 2.655 54.716 52.037 0.040 0.000 0.633 914 A CB -1.110 17.922 19.000 0.053 0.000 0.819 914 A HN 0.579 nan 8.150 nan 0.000 0.448 915 T N -3.775 110.814 114.554 0.057 0.000 3.085 915 T HA 0.078 4.431 4.350 0.005 0.000 0.263 915 T C 1.831 176.511 174.700 -0.032 0.000 1.127 915 T CA 1.301 63.418 62.100 0.028 0.000 1.103 915 T CB -0.044 68.845 68.868 0.036 0.000 0.921 915 T HN 0.246 nan 8.240 nan 0.000 0.510 916 S N 1.246 116.922 115.700 -0.040 0.000 2.317 916 S HA 0.086 4.559 4.470 0.005 0.000 0.212 916 S C 2.067 176.653 174.600 -0.023 0.000 1.030 916 S CA 0.897 59.068 58.200 -0.049 0.000 0.970 916 S CB -0.340 62.828 63.200 -0.054 0.000 0.928 916 S HN 0.320 nan 8.310 nan 0.000 0.451 917 M N 1.200 120.794 119.600 -0.009 0.000 4.925 917 M HA -0.211 4.272 4.480 0.005 0.000 0.311 917 M C 1.199 177.499 176.300 0.001 0.000 0.975 917 M CA 1.527 56.828 55.300 0.001 0.000 1.026 917 M CB -1.452 31.154 32.600 0.009 0.000 1.212 917 M HN 0.220 nan 8.290 nan 0.000 0.762 918 R N 1.604 122.108 120.500 0.008 0.000 2.399 918 R HA 0.224 4.567 4.340 0.005 0.000 0.324 918 R C 0.143 176.440 176.300 -0.005 0.000 1.030 918 R CA 0.192 56.296 56.100 0.007 0.000 0.984 918 R CB 0.033 30.347 30.300 0.024 0.000 0.961 918 R HN 0.504 nan 8.270 nan 0.000 0.433 919 G N 6.331 115.121 108.800 -0.017 0.000 2.624 919 G HA2 0.095 4.058 3.960 0.005 0.000 0.292 919 G HA3 0.095 4.058 3.960 0.005 0.000 0.292 919 G C -0.185 174.695 174.900 -0.033 0.000 0.777 919 G CA -0.326 44.757 45.100 -0.029 0.000 1.883 919 G HN 0.349 nan 8.290 nan 0.000 0.505 920 L N 0.855 122.061 121.223 -0.030 0.000 2.585 920 L HA 0.676 5.019 4.340 0.005 0.000 0.260 920 L C 0.734 177.574 176.870 -0.051 0.000 1.085 920 L CA -0.498 54.329 54.840 -0.022 0.000 0.913 920 L CB 1.240 43.309 42.059 0.017 0.000 1.638 920 L HN 0.353 nan 8.230 nan 0.000 0.531 921 S N -0.499 115.176 115.700 -0.042 0.000 2.704 921 S HA 0.344 4.817 4.470 0.005 0.000 0.296 921 S C -0.568 173.943 174.600 -0.148 0.000 1.138 921 S CA -0.558 57.595 58.200 -0.079 0.000 0.875 921 S CB 1.626 64.813 63.200 -0.022 0.000 1.151 921 S HN 0.526 nan 8.310 nan 0.000 0.500 922 N N 2.171 120.765 118.700 -0.176 0.000 2.918 922 N HA 0.260 5.003 4.740 0.005 0.000 0.247 922 N C -1.267 174.282 175.510 0.064 0.000 1.117 922 N CA -0.394 52.535 53.050 -0.203 0.000 1.005 922 N CB -0.406 37.966 38.487 -0.191 0.000 1.297 922 N HN 0.614 nan 8.380 nan 0.000 0.513 923 D N -0.722 119.779 120.400 0.168 0.000 2.650 923 D HA 0.157 4.800 4.640 0.005 0.000 0.255 923 D C 1.624 178.037 176.300 0.189 0.000 1.135 923 D CA -0.692 53.406 54.000 0.162 0.000 1.099 923 D CB 0.085 40.964 40.800 0.132 0.000 1.273 923 D HN -0.013 nan 8.370 nan 0.000 0.628 924 V N -2.115 117.814 119.914 0.024 0.000 2.324 924 V HA -0.232 3.891 4.120 0.005 0.000 0.250 924 V C 1.857 177.919 176.094 -0.054 0.000 1.060 924 V CA 1.367 63.634 62.300 -0.055 0.000 1.042 924 V CB -1.298 30.329 31.823 -0.327 0.000 0.650 924 V HN 0.462 nan 8.190 nan 0.000 0.450 925 F N -0.397 119.616 119.950 0.106 0.000 2.583 925 F HA 0.112 4.643 4.527 0.006 0.000 0.297 925 F C 1.900 177.770 175.800 0.117 0.000 1.131 925 F CA 1.338 59.385 58.000 0.079 0.000 1.467 925 F CB -0.789 38.273 39.000 0.103 0.000 1.097 925 F HN 0.260 nan 8.300 nan 0.000 0.586 926 F N 0.384 120.438 119.950 0.173 0.000 2.298 926 F HA -0.002 4.528 4.527 0.005 0.000 0.282 926 F C 2.314 178.214 175.800 0.168 0.000 1.045 926 F CA 0.802 58.897 58.000 0.158 0.000 1.280 926 F CB -0.667 38.431 39.000 0.165 0.000 1.114 926 F HN -0.256 nan 8.300 nan 0.000 0.546 927 Q N 0.485 120.445 119.800 0.267 0.000 2.047 927 Q HA -0.235 4.108 4.340 0.005 0.000 0.211 927 Q C 2.261 178.273 176.000 0.020 0.000 1.005 927 Q CA 2.841 58.737 55.803 0.155 0.000 0.866 927 Q CB -1.213 27.585 28.738 0.101 0.000 0.938 927 Q HN 0.346 nan 8.270 nan 0.000 0.414 928 V N 0.066 119.968 119.914 -0.020 0.000 2.278 928 V HA -0.318 3.806 4.120 0.005 0.000 0.251 928 V C 2.051 178.096 176.094 -0.082 0.000 1.062 928 V CA 2.176 64.379 62.300 -0.160 0.000 1.038 928 V CB -1.212 30.303 31.823 -0.514 0.000 0.646 928 V HN 0.651 nan 8.190 nan 0.000 0.447 929 G N -1.320 107.431 108.800 -0.082 0.000 2.408 929 G HA2 -0.169 3.794 3.960 0.005 0.000 0.217 929 G HA3 -0.169 3.794 3.960 0.005 0.000 0.217 929 G C 1.562 176.434 174.900 -0.047 0.000 1.150 929 G CA 0.729 45.805 45.100 -0.040 0.000 0.776 929 G HN 0.419 nan 8.290 nan 0.000 0.542 930 L N -0.047 121.071 121.223 -0.174 0.000 1.955 930 L HA -0.080 4.263 4.340 0.005 0.000 0.213 930 L C 3.011 179.898 176.870 0.029 0.000 1.072 930 L CA 1.271 56.033 54.840 -0.130 0.000 0.755 930 L CB -0.525 41.456 42.059 -0.130 0.000 0.888 930 L HN 0.224 nan 8.230 nan 0.000 0.432 931 L N -0.470 120.813 121.223 0.100 0.000 2.081 931 L HA -0.245 4.098 4.340 0.005 0.000 0.212 931 L C 2.463 179.413 176.870 0.132 0.000 1.080 931 L CA 1.988 56.876 54.840 0.079 0.000 0.754 931 L CB -0.897 41.225 42.059 0.105 0.000 0.893 931 L HN 0.467 nan 8.230 nan 0.000 0.433 932 T N -5.216 109.587 114.554 0.415 0.000 3.194 932 T HA -0.047 4.306 4.350 0.005 0.000 0.251 932 T C 1.379 176.240 174.700 0.269 0.000 1.132 932 T CA 1.029 63.449 62.100 0.534 0.000 1.028 932 T CB 0.115 69.339 68.868 0.594 0.000 0.976 932 T HN 0.158 nan 8.240 nan 0.000 0.535 933 T N 0.607 115.268 114.554 0.178 0.000 2.964 933 T HA 0.351 4.704 4.350 0.005 0.000 0.249 933 T C 1.446 176.187 174.700 0.068 0.000 1.000 933 T CA 0.230 62.425 62.100 0.159 0.000 0.992 933 T CB -0.052 68.904 68.868 0.148 0.000 1.087 933 T HN 0.616 nan 8.240 nan 0.000 0.489 934 I N -1.247 119.338 120.570 0.025 0.000 3.427 934 I HA 0.394 4.567 4.170 0.005 0.000 0.288 934 I C 2.073 178.168 176.117 -0.038 0.000 1.249 934 I CA 0.561 61.858 61.300 -0.004 0.000 1.421 934 I CB -0.308 37.682 38.000 -0.016 0.000 1.086 934 I HN 0.146 nan 8.210 nan 0.000 0.448 935 G N 2.231 110.987 108.800 -0.074 0.000 2.424 935 G HA2 -0.159 3.805 3.960 0.005 0.000 0.214 935 G HA3 -0.159 3.805 3.960 0.005 0.000 0.214 935 G C 1.545 176.402 174.900 -0.071 0.000 1.202 935 G CA 0.628 45.654 45.100 -0.123 0.000 0.793 935 G HN 0.337 nan 8.290 nan 0.000 0.534 936 L N 1.931 123.111 121.223 -0.072 0.000 2.042 936 L HA -0.126 4.217 4.340 0.005 0.000 0.210 936 L C 2.910 179.736 176.870 -0.074 0.000 1.076 936 L CA 2.853 57.611 54.840 -0.136 0.000 0.749 936 L CB -0.844 41.022 42.059 -0.321 0.000 0.893 936 L HN 0.432 nan 8.230 nan 0.000 0.432 937 S N -0.695 114.991 115.700 -0.023 0.000 2.436 937 S HA 0.021 4.494 4.470 0.005 0.000 0.228 937 S C 2.136 176.742 174.600 0.009 0.000 1.014 937 S CA 0.581 58.786 58.200 0.009 0.000 0.950 937 S CB -0.337 62.888 63.200 0.043 0.000 0.784 937 S HN 0.457 nan 8.310 nan 0.000 0.504 938 A N 2.705 125.523 122.820 -0.003 0.000 1.972 938 A HA -0.056 4.267 4.320 0.005 0.000 0.219 938 A C 2.192 179.771 177.584 -0.007 0.000 1.169 938 A CA 1.656 53.695 52.037 0.003 0.000 0.635 938 A CB -0.684 18.308 19.000 -0.014 0.000 0.810 938 A HN 0.666 nan 8.150 nan 0.000 0.446 939 K N -0.152 120.229 120.400 -0.033 0.000 2.002 939 K HA -0.212 4.111 4.320 0.005 0.000 0.209 939 K C 1.493 178.067 176.600 -0.042 0.000 1.048 939 K CA 1.763 58.023 56.287 -0.045 0.000 0.930 939 K CB -0.342 32.118 32.500 -0.066 0.000 0.714 939 K HN 0.352 nan 8.250 nan 0.000 0.438 940 N N 0.751 119.425 118.700 -0.042 0.000 2.348 940 N HA -0.143 4.600 4.740 0.005 0.000 0.185 940 N C 1.501 176.992 175.510 -0.031 0.000 1.019 940 N CA 1.221 54.242 53.050 -0.049 0.000 0.880 940 N CB -0.262 38.203 38.487 -0.037 0.000 0.965 940 N HN 0.405 nan 8.380 nan 0.000 0.437 941 A N 1.373 124.196 122.820 0.005 0.000 1.855 941 A HA -0.018 4.305 4.320 0.005 0.000 0.213 941 A C 2.023 179.622 177.584 0.024 0.000 1.195 941 A CA 0.549 52.605 52.037 0.031 0.000 0.610 941 A CB -0.372 18.671 19.000 0.072 0.000 0.837 941 A HN 0.058 nan 8.150 nan 0.000 0.444 942 I N 0.331 120.932 120.570 0.052 0.000 2.121 942 I HA -0.328 3.845 4.170 0.005 0.000 0.243 942 I C 2.498 178.652 176.117 0.062 0.000 1.047 942 I CA 1.640 63.011 61.300 0.117 0.000 1.308 942 I CB -1.678 36.344 38.000 0.035 0.000 1.015 942 I HN 0.291 nan 8.210 nan 0.000 0.410 943 L N 0.213 121.408 121.223 -0.046 0.000 2.083 943 L HA -0.196 4.148 4.340 0.005 0.000 0.209 943 L C 2.623 179.315 176.870 -0.297 0.000 1.083 943 L CA 1.462 56.204 54.840 -0.163 0.000 0.752 943 L CB -0.353 41.572 42.059 -0.224 0.000 0.899 943 L HN 0.355 nan 8.230 nan 0.000 0.433 944 I N -3.454 116.990 120.570 -0.211 0.000 2.480 944 I HA -0.109 4.065 4.170 0.005 0.000 0.251 944 I C 2.389 178.425 176.117 -0.135 0.000 1.124 944 I CA 0.987 62.166 61.300 -0.203 0.000 1.444 944 I CB -0.241 37.689 38.000 -0.116 0.000 1.098 944 I HN -0.018 nan 8.210 nan 0.000 0.428 945 V N 1.660 121.484 119.914 -0.151 0.000 2.759 945 V HA -0.227 3.896 4.120 0.005 0.000 0.256 945 V C 2.427 178.332 176.094 -0.315 0.000 1.080 945 V CA 2.398 64.492 62.300 -0.344 0.000 1.101 945 V CB -0.543 31.059 31.823 -0.368 0.000 0.698 945 V HN 0.654 nan 8.190 nan 0.000 0.477 946 E N 0.361 120.557 120.200 -0.006 0.000 2.001 946 E HA -0.157 4.196 4.350 0.005 0.000 0.193 946 E C 1.859 178.589 176.600 0.216 0.000 0.994 946 E CA 2.007 58.518 56.400 0.185 0.000 0.815 946 E CB -0.683 29.204 29.700 0.312 0.000 0.770 946 E HN 0.501 nan 8.360 nan 0.000 0.453 947 F N 1.169 121.096 119.950 -0.038 0.000 2.111 947 F HA -0.236 4.295 4.527 0.006 0.000 0.300 947 F C 2.422 178.203 175.800 -0.032 0.000 1.088 947 F CA 1.283 59.269 58.000 -0.023 0.000 1.243 947 F CB -1.545 37.448 39.000 -0.012 0.000 0.996 947 F HN 0.217 nan 8.300 nan 0.000 0.483 948 A N -0.541 122.343 122.820 0.107 0.000 1.892 948 A HA -0.279 4.045 4.320 0.005 0.000 0.218 948 A C 2.343 179.958 177.584 0.052 0.000 1.188 948 A CA 2.147 54.196 52.037 0.020 0.000 0.631 948 A CB -0.812 18.034 19.000 -0.257 0.000 0.822 948 A HN 0.394 nan 8.150 nan 0.000 0.447 949 K N -0.461 119.870 120.400 -0.115 0.000 2.155 949 K HA -0.109 4.214 4.320 0.005 0.000 0.203 949 K C 1.878 178.531 176.600 0.089 0.000 1.052 949 K CA 1.277 57.557 56.287 -0.012 0.000 0.948 949 K CB -0.122 32.310 32.500 -0.113 0.000 0.728 949 K HN 0.631 nan 8.250 nan 0.000 0.448 950 E N 0.598 120.840 120.200 0.069 0.000 2.106 950 E HA -0.137 4.216 4.350 0.005 0.000 0.192 950 E C 1.541 178.186 176.600 0.075 0.000 0.984 950 E CA 0.782 57.212 56.400 0.049 0.000 0.806 950 E CB 0.010 29.693 29.700 -0.028 0.000 0.750 950 E HN 0.319 nan 8.360 nan 0.000 0.458 951 L N 0.975 122.261 121.223 0.105 0.000 2.749 951 L HA -0.066 4.277 4.340 0.005 0.000 0.245 951 L C 0.587 177.557 176.870 0.166 0.000 1.156 951 L CA 0.295 55.200 54.840 0.109 0.000 0.890 951 L CB -0.465 41.662 42.059 0.114 0.000 1.036 951 L HN 0.070 nan 8.230 nan 0.000 0.441 952 H N 0.155 119.260 119.070 0.059 0.000 2.672 952 H HA 0.125 4.684 4.556 0.005 0.000 0.262 952 H C 0.861 176.205 175.328 0.027 0.000 1.577 952 H CA -0.074 56.005 56.048 0.051 0.000 1.183 952 H CB -0.027 29.780 29.762 0.074 0.000 1.546 952 H HN 0.329 nan 8.280 nan 0.000 0.502 953 E N 0.062 120.289 120.200 0.045 0.000 2.551 953 E HA -0.084 4.269 4.350 0.005 0.000 0.286 953 E C 1.672 178.264 176.600 -0.013 0.000 0.719 953 E CA -0.051 56.359 56.400 0.017 0.000 1.509 953 E CB 0.103 29.804 29.700 0.002 0.000 1.531 953 E HN 0.437 nan 8.360 nan 0.000 0.526 954 Q N 0.099 119.884 119.800 -0.026 0.000 2.308 954 Q HA -0.140 4.203 4.340 0.005 0.000 0.209 954 Q C 0.039 176.004 176.000 -0.059 0.000 0.985 954 Q CA 1.352 57.135 55.803 -0.033 0.000 0.881 954 Q CB 0.075 28.794 28.738 -0.031 0.000 0.917 954 Q HN 0.560 nan 8.270 nan 0.000 0.443 955 G N 0.745 109.484 108.800 -0.101 0.000 2.244 955 G HA2 -0.131 3.832 3.960 0.005 0.000 0.163 955 G HA3 -0.131 3.832 3.960 0.005 0.000 0.163 955 G C -0.821 173.937 174.900 -0.237 0.000 1.064 955 G CA -0.438 44.549 45.100 -0.189 0.000 0.757 955 G HN 0.138 nan 8.290 nan 0.000 0.484 956 K N 0.394 120.673 120.400 -0.201 0.000 2.527 956 K HA 0.317 4.640 4.320 0.005 0.000 0.278 956 K C 1.333 177.794 176.600 -0.232 0.000 0.981 956 K CA 0.607 56.805 56.287 -0.147 0.000 1.009 956 K CB 0.594 33.061 32.500 -0.055 0.000 0.895 956 K HN 0.404 nan 8.250 nan 0.000 0.493 957 G N 2.997 111.728 108.800 -0.115 0.000 2.398 957 G HA2 0.023 3.986 3.960 0.005 0.000 0.246 957 G HA3 0.023 3.986 3.960 0.005 0.000 0.246 957 G C 1.419 176.335 174.900 0.027 0.000 1.289 957 G CA -0.540 44.517 45.100 -0.072 0.000 0.869 957 G HN 0.727 nan 8.290 nan 0.000 0.543 958 I N 2.358 123.008 120.570 0.133 0.000 2.182 958 I HA -0.226 3.948 4.170 0.005 0.000 0.248 958 I C 2.074 178.228 176.117 0.062 0.000 1.073 958 I CA 1.840 63.226 61.300 0.144 0.000 1.335 958 I CB -1.501 36.438 38.000 -0.101 0.000 1.031 958 I HN 0.264 nan 8.210 nan 0.000 0.420 959 V N 1.680 121.601 119.914 0.012 0.000 2.295 959 V HA -0.247 3.877 4.120 0.005 0.000 0.246 959 V C 2.801 178.906 176.094 0.017 0.000 1.049 959 V CA 2.240 64.539 62.300 -0.001 0.000 1.024 959 V CB -0.678 31.131 31.823 -0.022 0.000 0.648 959 V HN 0.472 nan 8.190 nan 0.000 0.447 960 E N 0.220 120.431 120.200 0.020 0.000 2.038 960 E HA -0.260 4.094 4.350 0.005 0.000 0.195 960 E C 2.341 178.974 176.600 0.055 0.000 1.000 960 E CA 1.470 57.883 56.400 0.022 0.000 0.803 960 E CB -0.410 29.295 29.700 0.008 0.000 0.750 960 E HN 0.598 nan 8.360 nan 0.000 0.448 961 A N 1.744 124.626 122.820 0.103 0.000 1.873 961 A HA -0.224 4.099 4.320 0.005 0.000 0.218 961 A C 2.462 180.139 177.584 0.154 0.000 1.193 961 A CA 2.196 54.329 52.037 0.160 0.000 0.629 961 A CB -0.998 18.175 19.000 0.289 0.000 0.826 961 A HN 0.319 nan 8.150 nan 0.000 0.447 962 A N 0.035 122.962 122.820 0.177 0.000 1.873 962 A HA -0.189 4.135 4.320 0.005 0.000 0.218 962 A C 2.141 179.753 177.584 0.046 0.000 1.193 962 A CA 1.860 53.984 52.037 0.144 0.000 0.629 962 A CB -0.861 18.229 19.000 0.150 0.000 0.826 962 A HN 0.560 nan 8.150 nan 0.000 0.447 963 I N -0.788 119.784 120.570 0.004 0.000 2.151 963 I HA -0.275 3.898 4.170 0.005 0.000 0.243 963 I C 2.637 178.748 176.117 -0.010 0.000 1.080 963 I CA 1.605 62.875 61.300 -0.050 0.000 1.339 963 I CB -0.547 37.419 38.000 -0.057 0.000 1.039 963 I HN 0.320 nan 8.210 nan 0.000 0.409 964 E N 1.179 121.400 120.200 0.034 0.000 2.021 964 E HA -0.280 4.073 4.350 0.005 0.000 0.200 964 E C 2.349 179.006 176.600 0.095 0.000 1.015 964 E CA 1.779 58.217 56.400 0.064 0.000 0.824 964 E CB -0.476 29.270 29.700 0.076 0.000 0.762 964 E HN 0.475 nan 8.360 nan 0.000 0.454 965 A N 1.083 123.975 122.820 0.120 0.000 1.881 965 A HA -0.314 4.009 4.320 0.005 0.000 0.219 965 A C 2.756 180.378 177.584 0.063 0.000 1.215 965 A CA 2.282 54.399 52.037 0.133 0.000 0.648 965 A CB -1.370 17.691 19.000 0.102 0.000 0.832 965 A HN 0.469 nan 8.150 nan 0.000 0.455 966 C N -1.370 117.960 119.300 0.050 0.000 2.401 966 C HA -0.145 4.318 4.460 0.005 0.000 0.276 966 C C 2.883 177.987 174.990 0.191 0.000 1.233 966 C CA 1.403 60.484 59.018 0.106 0.000 1.753 966 C CB -1.389 26.335 27.740 -0.026 0.000 2.029 966 C HN 0.718 nan 8.230 nan 0.000 0.478 967 R N 0.231 120.795 120.500 0.108 0.000 2.066 967 R HA -0.105 4.238 4.340 0.005 0.000 0.232 967 R C 2.324 178.683 176.300 0.098 0.000 1.131 967 R CA 1.542 57.710 56.100 0.112 0.000 0.955 967 R CB -0.349 29.988 30.300 0.061 0.000 0.851 967 R HN 0.406 nan 8.270 nan 0.000 0.432 968 M N 0.547 120.206 119.600 0.099 0.000 2.089 968 M HA -0.215 4.268 4.480 0.005 0.000 0.257 968 M C 2.041 178.365 176.300 0.039 0.000 1.071 968 M CA 1.767 57.136 55.300 0.115 0.000 1.096 968 M CB -0.698 32.050 32.600 0.246 0.000 1.330 968 M HN 0.184 nan 8.290 nan 0.000 0.403 969 R N -0.262 120.215 120.500 -0.039 0.000 2.254 969 R HA 0.134 4.477 4.340 0.005 0.000 0.195 969 R C 2.155 178.409 176.300 -0.076 0.000 0.957 969 R CA 0.086 56.104 56.100 -0.137 0.000 1.024 969 R CB -0.390 29.759 30.300 -0.252 0.000 0.952 969 R HN 0.384 nan 8.270 nan 0.000 0.484 970 L N 1.771 122.986 121.223 -0.013 0.000 1.997 970 L HA -0.263 4.080 4.340 0.005 0.000 0.216 970 L C 2.521 179.433 176.870 0.070 0.000 1.074 970 L CA 2.021 56.834 54.840 -0.044 0.000 0.763 970 L CB -0.531 41.501 42.059 -0.045 0.000 0.890 970 L HN 0.158 nan 8.230 nan 0.000 0.434 971 R N -0.212 120.374 120.500 0.143 0.000 2.083 971 R HA -0.158 4.186 4.340 0.005 0.000 0.237 971 R C -0.384 175.830 176.300 -0.143 0.000 1.137 971 R CA 1.837 57.954 56.100 0.028 0.000 0.951 971 R CB -1.198 29.033 30.300 -0.114 0.000 0.851 971 R HN 0.300 nan 8.270 nan 0.000 0.434 972 P HA -0.187 nan 4.420 nan 0.000 0.210 972 P C 1.417 178.600 177.300 -0.196 0.000 1.185 972 P CA 2.007 64.995 63.100 -0.187 0.000 0.924 972 P CB -0.372 31.240 31.700 -0.147 0.000 0.786 973 I N -2.784 117.700 120.570 -0.144 0.000 2.300 973 I HA -0.208 3.965 4.170 0.005 0.000 0.252 973 I C 1.924 177.976 176.117 -0.108 0.000 1.119 973 I CA 1.679 62.907 61.300 -0.120 0.000 1.384 973 I CB -1.503 36.433 38.000 -0.106 0.000 1.062 973 I HN -0.165 nan 8.210 nan 0.000 0.426 974 V N 1.288 121.143 119.914 -0.100 0.000 2.255 974 V HA -0.252 3.871 4.120 0.005 0.000 0.243 974 V C 2.691 178.628 176.094 -0.263 0.000 1.038 974 V CA 2.270 64.544 62.300 -0.043 0.000 1.008 974 V CB -0.371 31.598 31.823 0.244 0.000 0.645 974 V HN 0.486 nan 8.190 nan 0.000 0.449 975 M N -0.578 118.573 119.600 -0.748 0.000 2.149 975 M HA -0.213 4.270 4.480 0.005 0.000 0.261 975 M C 2.217 178.225 176.300 -0.486 0.000 1.064 975 M CA 2.485 57.042 55.300 -1.239 0.000 1.102 975 M CB -0.391 31.214 32.600 -1.659 0.000 1.369 975 M HN 0.438 nan 8.290 nan 0.000 0.408 976 T N -0.008 114.358 114.554 -0.314 0.000 2.777 976 T HA -0.072 4.281 4.350 0.005 0.000 0.266 976 T C 1.715 176.381 174.700 -0.056 0.000 1.040 976 T CA 1.965 63.968 62.100 -0.160 0.000 1.141 976 T CB -0.044 68.741 68.868 -0.139 0.000 0.868 976 T HN 0.550 nan 8.240 nan 0.000 0.444 977 S N 0.722 116.399 115.700 -0.038 0.000 2.406 977 S HA 0.198 4.671 4.470 0.005 0.000 0.224 977 S C 1.908 176.563 174.600 0.091 0.000 1.030 977 S CA 0.334 58.574 58.200 0.067 0.000 0.958 977 S CB -0.313 62.919 63.200 0.052 0.000 0.811 977 S HN 0.364 nan 8.310 nan 0.000 0.489 978 L N 1.151 122.397 121.223 0.039 0.000 2.191 978 L HA -0.095 4.248 4.340 0.005 0.000 0.212 978 L C 2.412 179.329 176.870 0.078 0.000 1.103 978 L CA 0.942 55.831 54.840 0.081 0.000 0.769 978 L CB -0.374 41.772 42.059 0.146 0.000 0.908 978 L HN 0.354 nan 8.230 nan 0.000 0.438 979 A N -0.666 122.185 122.820 0.052 0.000 1.897 979 A HA -0.234 4.089 4.320 0.005 0.000 0.215 979 A C 2.036 179.695 177.584 0.125 0.000 1.181 979 A CA 1.215 53.294 52.037 0.070 0.000 0.620 979 A CB -0.734 18.282 19.000 0.026 0.000 0.821 979 A HN 0.447 nan 8.150 nan 0.000 0.443 980 F N 1.586 121.531 119.950 -0.009 0.000 2.084 980 F HA -0.115 4.415 4.527 0.006 0.000 0.296 980 F C 1.947 177.753 175.800 0.009 0.000 1.111 980 F CA 1.570 59.571 58.000 0.001 0.000 1.224 980 F CB -0.328 38.672 39.000 0.001 0.000 0.991 980 F HN 0.319 nan 8.300 nan 0.000 0.471 981 I N -1.176 119.297 120.570 -0.161 0.000 3.111 981 I HA -0.014 4.159 4.170 0.005 0.000 0.272 981 I C 1.662 177.683 176.117 -0.160 0.000 1.268 981 I CA 1.086 62.220 61.300 -0.278 0.000 1.467 981 I CB -0.389 37.553 38.000 -0.098 0.000 1.087 981 I HN 0.277 nan 8.210 nan 0.000 0.467 982 L N 0.826 122.006 121.223 -0.071 0.000 2.607 982 L HA 0.382 4.725 4.340 0.005 0.000 0.228 982 L C 2.030 178.872 176.870 -0.047 0.000 1.123 982 L CA 0.512 55.332 54.840 -0.033 0.000 0.890 982 L CB 0.162 42.238 42.059 0.029 0.000 1.103 982 L HN 0.320 nan 8.230 nan 0.000 0.468 983 G N -1.578 107.171 108.800 -0.085 0.000 2.662 983 G HA2 -0.021 3.942 3.960 0.005 0.000 0.212 983 G HA3 -0.021 3.942 3.960 0.005 0.000 0.212 983 G C 1.179 176.002 174.900 -0.129 0.000 1.141 983 G CA 0.482 45.544 45.100 -0.063 0.000 0.797 983 G HN 0.197 nan 8.290 nan 0.000 0.531 984 V N 0.636 120.402 119.914 -0.247 0.000 3.235 984 V HA -0.020 4.103 4.120 0.005 0.000 0.259 984 V C 2.740 178.718 176.094 -0.193 0.000 1.133 984 V CA 0.384 62.526 62.300 -0.263 0.000 1.128 984 V CB 0.519 32.094 31.823 -0.414 0.000 0.757 984 V HN 0.176 nan 8.190 nan 0.000 0.469 985 V N 1.126 120.949 119.914 -0.151 0.000 2.317 985 V HA -0.214 3.909 4.120 0.005 0.000 0.251 985 V C 0.130 176.155 176.094 -0.114 0.000 1.065 985 V CA 2.780 65.013 62.300 -0.112 0.000 1.049 985 V CB -1.534 30.248 31.823 -0.068 0.000 0.651 985 V HN 0.529 nan 8.190 nan 0.000 0.450 986 P HA -0.099 nan 4.420 nan 0.000 0.220 986 P C 1.841 179.052 177.300 -0.150 0.000 1.148 986 P CA 1.219 64.259 63.100 -0.100 0.000 0.803 986 P CB -0.041 31.616 31.700 -0.071 0.000 0.782 987 L N -1.278 119.835 121.223 -0.184 0.000 2.141 987 L HA -0.121 4.222 4.340 0.005 0.000 0.209 987 L C 2.384 179.032 176.870 -0.369 0.000 1.094 987 L CA 1.504 56.187 54.840 -0.262 0.000 0.763 987 L CB -0.885 40.998 42.059 -0.294 0.000 0.908 987 L HN -0.027 nan 8.230 nan 0.000 0.437 988 A N 0.469 123.108 122.820 -0.301 0.000 1.903 988 A HA 0.010 4.334 4.320 0.005 0.000 0.213 988 A C 1.809 179.194 177.584 -0.332 0.000 1.185 988 A CA 0.671 52.520 52.037 -0.312 0.000 0.628 988 A CB -0.396 18.509 19.000 -0.158 0.000 0.830 988 A HN 0.478 nan 8.150 nan 0.000 0.446 989 I N -1.905 118.546 120.570 -0.198 0.000 3.832 989 I HA 0.275 4.448 4.170 0.005 0.000 0.324 989 I C 0.379 176.442 176.117 -0.090 0.000 1.447 989 I CA -0.270 60.978 61.300 -0.088 0.000 1.242 989 I CB -0.242 37.735 38.000 -0.038 0.000 1.212 989 I HN 0.087 nan 8.210 nan 0.000 0.415 990 S N 1.995 117.544 115.700 -0.251 0.000 2.601 990 S HA 0.564 5.037 4.470 0.005 0.000 0.271 990 S C 0.290 174.959 174.600 0.115 0.000 1.305 990 S CA 0.030 58.155 58.200 -0.125 0.000 1.022 990 S CB 0.710 63.767 63.200 -0.240 0.000 0.940 990 S HN 0.624 nan 8.310 nan 0.000 0.525 991 T N 0.754 115.356 114.554 0.080 0.000 2.971 991 T HA 0.783 5.136 4.350 0.005 0.000 0.304 991 T C 0.165 174.896 174.700 0.052 0.000 1.038 991 T CA -0.071 62.097 62.100 0.113 0.000 1.007 991 T CB 0.925 69.850 68.868 0.096 0.000 1.055 991 T HN 1.455 nan 8.240 nan 0.000 0.451 992 G N 1.345 110.175 108.800 0.050 0.000 2.265 992 G HA2 0.477 4.440 3.960 0.005 0.000 0.246 992 G HA3 0.477 4.440 3.960 0.005 0.000 0.246 992 G C -0.306 174.310 174.900 -0.472 0.000 1.299 992 G CA -0.164 44.869 45.100 -0.111 0.000 1.117 992 G HN 1.577 nan 8.290 nan 0.000 0.485 993 A N -0.411 121.809 122.820 -1.000 0.000 2.462 993 A HA 0.642 4.965 4.320 0.005 0.000 0.243 993 A C 1.986 179.273 177.584 -0.495 0.000 1.076 993 A CA 2.129 53.374 52.037 -1.320 0.000 0.773 993 A CB -0.082 18.229 19.000 -1.150 0.000 1.010 993 A HN 2.915 nan 8.150 nan 0.000 0.493 994 G N 1.321 109.944 108.800 -0.296 0.000 2.220 994 G HA2 -0.265 3.698 3.960 0.005 0.000 0.269 994 G HA3 -0.265 3.698 3.960 0.005 0.000 0.269 994 G C 0.584 175.504 174.900 0.033 0.000 0.977 994 G CA 0.607 45.669 45.100 -0.064 0.000 0.634 994 G HN 1.353 nan 8.290 nan 0.000 0.539 995 S N 0.621 116.341 115.700 0.034 0.000 2.555 995 S HA 0.444 4.918 4.470 0.005 0.000 0.293 995 S C 1.472 176.220 174.600 0.247 0.000 1.248 995 S CA 1.175 59.512 58.200 0.227 0.000 1.096 995 S CB 0.982 64.328 63.200 0.243 0.000 0.881 995 S HN 2.024 nan 8.310 nan 0.000 0.498 996 G N 2.881 111.906 108.800 0.374 0.000 2.796 996 G HA2 -0.226 3.737 3.960 0.005 0.000 0.198 996 G HA3 -0.226 3.737 3.960 0.005 0.000 0.198 996 G C 1.213 176.136 174.900 0.039 0.000 1.062 996 G CA 0.188 45.359 45.100 0.118 0.000 0.752 996 G HN 0.580 nan 8.290 nan 0.000 0.487 997 S N 0.715 116.406 115.700 -0.014 0.000 2.362 997 S HA 0.003 4.476 4.470 0.005 0.000 0.221 997 S C 2.154 176.544 174.600 -0.350 0.000 1.032 997 S CA 1.738 59.751 58.200 -0.312 0.000 0.973 997 S CB -0.255 62.858 63.200 -0.146 0.000 0.849 997 S HN 0.569 nan 8.310 nan 0.000 0.465 998 Q N 0.521 120.257 119.800 -0.108 0.000 2.061 998 Q HA -0.163 4.180 4.340 0.005 0.000 0.204 998 Q C 1.997 177.792 176.000 -0.342 0.000 0.984 998 Q CA 1.407 57.012 55.803 -0.330 0.000 0.846 998 Q CB -0.404 28.221 28.738 -0.188 0.000 0.902 998 Q HN 0.683 nan 8.270 nan 0.000 0.421 999 H N -0.075 118.891 119.070 -0.174 0.000 2.387 999 H HA -0.091 4.468 4.556 0.005 0.000 0.299 999 H C 2.127 177.386 175.328 -0.114 0.000 1.099 999 H CA 1.130 57.107 56.048 -0.118 0.000 1.315 999 H CB -0.021 29.705 29.762 -0.060 0.000 1.380 999 H HN 0.316 nan 8.280 nan 0.000 0.513 1000 A N 1.354 124.162 122.820 -0.020 0.000 1.851 1000 A HA -0.174 4.149 4.320 0.005 0.000 0.216 1000 A C 2.505 180.093 177.584 0.007 0.000 1.195 1000 A CA 1.674 53.717 52.037 0.010 0.000 0.622 1000 A CB -0.770 18.221 19.000 -0.015 0.000 0.831 1000 A HN 0.281 nan 8.150 nan 0.000 0.444 1001 I N -0.202 120.262 120.570 -0.176 0.000 2.113 1001 I HA -0.083 4.090 4.170 0.005 0.000 0.238 1001 I C 2.432 178.453 176.117 -0.159 0.000 1.070 1001 I CA 1.832 63.034 61.300 -0.163 0.000 1.332 1001 I CB -0.985 36.743 38.000 -0.454 0.000 1.044 1001 I HN 0.268 nan 8.210 nan 0.000 0.402 1002 G N -1.228 107.419 108.800 -0.254 0.000 2.587 1002 G HA2 -0.384 3.579 3.960 0.005 0.000 0.217 1002 G HA3 -0.384 3.579 3.960 0.005 0.000 0.217 1002 G C 1.692 176.522 174.900 -0.116 0.000 1.240 1002 G CA 1.625 46.599 45.100 -0.210 0.000 0.794 1002 G HN 0.424 nan 8.290 nan 0.000 0.580 1003 T N 0.532 115.047 114.554 -0.065 0.000 2.624 1003 T HA -0.124 4.229 4.350 0.005 0.000 0.268 1003 T C 2.450 177.164 174.700 0.024 0.000 1.041 1003 T CA 2.621 64.717 62.100 -0.007 0.000 1.159 1003 T CB -0.965 67.928 68.868 0.041 0.000 0.863 1003 T HN 0.377 nan 8.240 nan 0.000 0.434 1004 G N 0.446 109.290 108.800 0.074 0.000 2.446 1004 G HA2 -0.178 3.785 3.960 0.005 0.000 0.217 1004 G HA3 -0.178 3.785 3.960 0.005 0.000 0.217 1004 G C 1.726 176.642 174.900 0.027 0.000 1.168 1004 G CA 1.162 46.333 45.100 0.117 0.000 0.771 1004 G HN 0.496 nan 8.290 nan 0.000 0.551 1005 V N 1.375 121.283 119.914 -0.010 0.000 2.214 1005 V HA -0.221 3.902 4.120 0.005 0.000 0.247 1005 V C 2.807 178.877 176.094 -0.039 0.000 1.051 1005 V CA 1.941 64.231 62.300 -0.016 0.000 1.003 1005 V CB -0.533 31.259 31.823 -0.052 0.000 0.635 1005 V HN 0.412 nan 8.190 nan 0.000 0.447 1006 I N 0.368 120.883 120.570 -0.092 0.000 2.236 1006 I HA -0.279 3.895 4.170 0.005 0.000 0.249 1006 I C 2.403 178.505 176.117 -0.025 0.000 1.102 1006 I CA 1.886 63.133 61.300 -0.089 0.000 1.365 1006 I CB -0.893 37.053 38.000 -0.089 0.000 1.051 1006 I HN 0.491 nan 8.210 nan 0.000 0.420 1007 G N 0.045 108.844 108.800 -0.002 0.000 2.395 1007 G HA2 -0.102 3.861 3.960 0.005 0.000 0.214 1007 G HA3 -0.102 3.861 3.960 0.005 0.000 0.214 1007 G C 1.606 176.521 174.900 0.025 0.000 1.177 1007 G CA 0.616 45.727 45.100 0.018 0.000 0.794 1007 G HN 0.489 nan 8.290 nan 0.000 0.532 1008 G N -0.245 108.571 108.800 0.026 0.000 2.776 1008 G HA2 0.112 4.076 3.960 0.005 0.000 0.209 1008 G HA3 0.112 4.076 3.960 0.005 0.000 0.209 1008 G C 1.465 176.394 174.900 0.048 0.000 1.145 1008 G CA 0.305 45.419 45.100 0.024 0.000 0.791 1008 G HN 0.251 nan 8.290 nan 0.000 0.530 1009 M N -0.481 119.156 119.600 0.062 0.000 2.691 1009 M HA 0.194 4.677 4.480 0.005 0.000 0.261 1009 M C 2.571 178.918 176.300 0.078 0.000 1.227 1009 M CA 0.436 55.794 55.300 0.098 0.000 1.197 1009 M CB -0.268 32.414 32.600 0.138 0.000 1.294 1009 M HN 0.059 nan 8.290 nan 0.000 0.508 1010 V N 1.276 121.224 119.914 0.056 0.000 2.287 1010 V HA -0.280 3.843 4.120 0.005 0.000 0.248 1010 V C 2.612 178.743 176.094 0.062 0.000 1.053 1010 V CA 2.591 64.925 62.300 0.057 0.000 1.027 1010 V CB -1.233 30.616 31.823 0.044 0.000 0.646 1010 V HN 0.602 nan 8.190 nan 0.000 0.447 1011 T N -0.902 113.680 114.554 0.047 0.000 2.708 1011 T HA -0.180 4.173 4.350 0.005 0.000 0.266 1011 T C 1.962 176.693 174.700 0.051 0.000 1.037 1011 T CA 1.541 63.664 62.100 0.039 0.000 1.146 1011 T CB -0.669 68.206 68.868 0.010 0.000 0.865 1011 T HN 0.484 nan 8.240 nan 0.000 0.435 1012 A N 2.091 124.943 122.820 0.054 0.000 1.908 1012 A HA -0.100 4.223 4.320 0.005 0.000 0.218 1012 A C 2.752 180.390 177.584 0.091 0.000 1.181 1012 A CA 2.764 54.841 52.037 0.066 0.000 0.627 1012 A CB -1.482 17.559 19.000 0.068 0.000 0.818 1012 A HN 0.785 nan 8.150 nan 0.000 0.445 1013 T N -2.188 112.421 114.554 0.092 0.000 2.781 1013 T HA -0.079 4.274 4.350 0.005 0.000 0.252 1013 T C 1.835 176.610 174.700 0.123 0.000 1.039 1013 T CA 2.044 64.198 62.100 0.090 0.000 1.147 1013 T CB -1.297 67.611 68.868 0.066 0.000 0.865 1013 T HN 0.837 nan 8.240 nan 0.000 0.423 1014 V N 0.958 120.956 119.914 0.140 0.000 2.568 1014 V HA -0.012 4.111 4.120 0.005 0.000 0.253 1014 V C 2.492 178.816 176.094 0.384 0.000 1.072 1014 V CA 1.550 63.985 62.300 0.225 0.000 1.084 1014 V CB -1.298 30.645 31.823 0.200 0.000 0.676 1014 V HN 0.517 nan 8.190 nan 0.000 0.469 1015 L N 0.380 121.772 121.223 0.282 0.000 2.068 1015 L HA 0.128 4.471 4.340 0.005 0.000 0.204 1015 L C 3.092 180.248 176.870 0.477 0.000 1.076 1015 L CA 1.348 56.382 54.840 0.325 0.000 0.753 1015 L CB -1.050 41.015 42.059 0.009 0.000 0.910 1015 L HN 0.383 nan 8.230 nan 0.000 0.439 1016 A N 1.415 124.419 122.820 0.306 0.000 1.908 1016 A HA -0.235 4.088 4.320 0.005 0.000 0.218 1016 A C 2.211 179.977 177.584 0.303 0.000 1.181 1016 A CA 2.057 54.279 52.037 0.309 0.000 0.627 1016 A CB -0.902 18.215 19.000 0.196 0.000 0.818 1016 A HN 0.564 nan 8.150 nan 0.000 0.445 1017 I N -4.401 116.294 120.570 0.209 0.000 2.335 1017 I HA -0.220 3.953 4.170 0.005 0.000 0.251 1017 I C 2.191 178.386 176.117 0.130 0.000 1.129 1017 I CA 1.856 63.204 61.300 0.080 0.000 1.402 1017 I CB -0.534 37.329 38.000 -0.229 0.000 1.069 1017 I HN 0.190 nan 8.210 nan 0.000 0.424 1018 F N 0.010 120.172 119.950 0.352 0.000 2.262 1018 F HA 0.071 4.601 4.527 0.005 0.000 0.292 1018 F C 1.855 177.634 175.800 -0.035 0.000 1.081 1018 F CA 0.974 59.061 58.000 0.146 0.000 1.355 1018 F CB -0.428 38.636 39.000 0.107 0.000 1.069 1018 F HN 0.022 nan 8.300 nan 0.000 0.506 1019 W N -0.758 120.631 121.300 0.149 0.000 2.737 1019 W HA 0.117 4.780 4.660 0.005 0.000 0.262 1019 W C 2.088 178.506 176.519 -0.168 0.000 1.282 1019 W CA 0.225 57.519 57.345 -0.085 0.000 1.386 1019 W CB -1.088 28.391 29.460 0.032 0.000 1.099 1019 W HN -0.288 nan 8.180 nan 0.000 0.621 1020 V N 1.988 122.079 119.914 0.295 0.000 2.255 1020 V HA -0.251 3.872 4.120 0.005 0.000 0.247 1020 V C -0.248 175.946 176.094 0.168 0.000 1.051 1020 V CA 2.015 64.497 62.300 0.303 0.000 1.018 1020 V CB -2.103 29.854 31.823 0.224 0.000 0.641 1020 V HN -0.062 nan 8.190 nan 0.000 0.445 1021 P HA -0.191 nan 4.420 nan 0.000 0.216 1021 P C 2.035 179.331 177.300 -0.007 0.000 1.154 1021 P CA 1.556 64.685 63.100 0.048 0.000 0.865 1021 P CB -0.090 31.584 31.700 -0.043 0.000 0.789 1022 L N -2.403 118.714 121.223 -0.177 0.000 2.013 1022 L HA -0.222 4.121 4.340 0.005 0.000 0.212 1022 L C 2.361 179.107 176.870 -0.207 0.000 1.073 1022 L CA 1.793 56.444 54.840 -0.316 0.000 0.753 1022 L CB -0.753 40.942 42.059 -0.606 0.000 0.890 1022 L HN -0.053 nan 8.230 nan 0.000 0.432 1023 F N -1.729 118.257 119.950 0.060 0.000 2.234 1023 F HA -0.227 4.303 4.527 0.005 0.000 0.299 1023 F C 2.277 178.148 175.800 0.117 0.000 1.087 1023 F CA 0.738 58.776 58.000 0.063 0.000 1.340 1023 F CB -1.057 37.986 39.000 0.071 0.000 1.031 1023 F HN 0.058 nan 8.300 nan 0.000 0.500 1024 Y N 0.338 120.719 120.300 0.136 0.000 2.651 1024 Y HA 0.023 4.576 4.550 0.005 0.000 0.296 1024 Y C 0.245 176.159 175.900 0.023 0.000 1.150 1024 Y CA -0.160 57.971 58.100 0.051 0.000 1.348 1024 Y CB 0.156 38.619 38.460 0.004 0.000 0.983 1024 Y HN -0.191 nan 8.280 nan 0.000 0.555 1025 V N 0.000 119.893 119.914 -0.036 0.000 2.409 1025 V HA 0.000 4.123 4.120 0.005 0.000 0.244 1025 V CA 0.000 62.224 62.300 -0.127 0.000 1.235 1025 V CB 0.000 31.744 31.823 -0.132 0.000 1.184 1025 V HN 0.000 nan 8.190 nan 0.000 0.556