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 3eio_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.640 174.600 0.066 0.000 1.055 39 S CA 0.000 58.234 58.200 0.057 0.000 1.107 39 S CB 0.000 63.238 63.200 0.063 0.000 0.593 40 R N 1.887 122.422 120.500 0.059 0.000 1.198 40 R HA -0.119 4.220 4.340 -0.003 0.000 0.414 40 R C -0.009 176.327 176.300 0.061 0.000 1.352 40 R CA 1.062 57.198 56.100 0.061 0.000 1.314 40 R CB -0.251 30.086 30.300 0.061 0.000 3.677 40 R HN 0.767 nan 8.270 nan 0.000 0.487 41 K N 1.650 122.091 120.400 0.069 0.000 2.118 41 K HA 0.305 4.623 4.320 -0.003 0.000 0.240 41 K C 0.265 176.910 176.600 0.075 0.000 1.035 41 K CA 0.116 56.447 56.287 0.074 0.000 0.899 41 K CB 0.742 33.296 32.500 0.090 0.000 1.085 41 K HN 0.668 nan 8.250 nan 0.000 0.498 42 T N -2.514 112.090 114.554 0.083 0.000 2.910 42 T HA 0.224 4.572 4.350 -0.003 0.000 0.279 42 T C -0.473 174.331 174.700 0.173 0.000 0.989 42 T CA -0.717 61.440 62.100 0.095 0.000 0.968 42 T CB 0.392 69.302 68.868 0.070 0.000 1.135 42 T HN 0.481 nan 8.240 nan 0.000 0.562 43 Y N 2.359 122.699 120.300 0.066 0.000 2.504 43 Y HA 0.398 4.947 4.550 -0.002 0.000 0.351 43 Y C 0.883 176.923 175.900 0.232 0.000 0.988 43 Y CA -0.446 57.736 58.100 0.137 0.000 1.239 43 Y CB -0.161 38.339 38.460 0.068 0.000 1.128 43 Y HN 1.032 nan 8.280 nan 0.000 0.525 44 T N 2.303 116.817 114.554 -0.067 0.000 2.849 44 T HA 0.142 4.490 4.350 -0.003 0.000 0.276 44 T C 0.946 175.530 174.700 -0.193 0.000 0.971 44 T CA -0.595 61.529 62.100 0.040 0.000 0.949 44 T CB 1.033 69.905 68.868 0.007 0.000 1.093 44 T HN 0.665 nan 8.240 nan 0.000 0.545 45 L N 0.619 121.574 121.223 -0.446 0.000 2.056 45 L HA 0.051 4.389 4.340 -0.003 0.000 0.207 45 L C 2.683 179.389 176.870 -0.272 0.000 1.078 45 L CA 2.150 56.582 54.840 -0.680 0.000 0.749 45 L CB -1.506 40.048 42.059 -0.842 0.000 0.901 45 L HN 0.947 nan 8.230 nan 0.000 0.433 46 T N -0.458 113.972 114.554 -0.208 0.000 2.746 46 T HA -0.167 4.181 4.350 -0.003 0.000 0.267 46 T C 1.504 176.108 174.700 -0.161 0.000 1.039 46 T CA 1.444 63.455 62.100 -0.148 0.000 1.142 46 T CB -0.383 68.423 68.868 -0.104 0.000 0.866 46 T HN 0.401 nan 8.240 nan 0.000 0.444 47 D N 0.126 120.401 120.400 -0.209 0.000 2.133 47 D HA -0.119 4.520 4.640 -0.003 0.000 0.195 47 D C 1.747 177.939 176.300 -0.181 0.000 0.997 47 D CA 1.200 55.050 54.000 -0.250 0.000 0.840 47 D CB -0.347 40.215 40.800 -0.397 0.000 0.947 47 D HN 0.440 nan 8.370 nan 0.000 0.452 48 Y N 1.421 121.521 120.300 -0.333 0.000 2.133 48 Y HA -0.085 4.463 4.550 -0.003 0.000 0.287 48 Y C 2.236 178.129 175.900 -0.013 0.000 1.134 48 Y CA 1.192 59.258 58.100 -0.055 0.000 1.133 48 Y CB -0.602 37.873 38.460 0.026 0.000 0.987 48 Y HN -0.106 nan 8.280 nan 0.000 0.502 49 L N -0.011 121.025 121.223 -0.312 0.000 2.201 49 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 49 L C 1.826 178.580 176.870 -0.193 0.000 1.105 49 L CA 1.199 55.837 54.840 -0.337 0.000 0.775 49 L CB -0.426 41.513 42.059 -0.199 0.000 0.913 49 L HN 0.061 nan 8.230 nan 0.000 0.440 50 K N -0.166 120.145 120.400 -0.148 0.000 2.374 50 K HA 0.094 4.412 4.320 -0.003 0.000 0.196 50 K C 0.080 176.621 176.600 -0.099 0.000 1.023 50 K CA -0.115 56.107 56.287 -0.109 0.000 1.103 50 K CB -0.060 32.381 32.500 -0.098 0.000 0.848 50 K HN 0.117 nan 8.250 nan 0.000 0.528 51 N N 0.925 119.572 118.700 -0.088 0.000 2.738 51 N HA -0.184 4.554 4.740 -0.003 0.000 0.249 51 N C 0.686 176.159 175.510 -0.061 0.000 1.047 51 N CA 0.858 53.892 53.050 -0.026 0.000 0.707 51 N CB -1.000 37.469 38.487 -0.030 0.000 0.937 51 N HN 0.399 nan 8.380 nan 0.000 0.545 52 T N -3.906 110.553 114.554 -0.159 0.000 2.788 52 T HA -0.186 4.162 4.350 -0.003 0.000 0.268 52 T C 0.618 175.051 174.700 -0.445 0.000 1.044 52 T CA 1.229 63.107 62.100 -0.369 0.000 1.139 52 T CB -0.184 68.330 68.868 -0.591 0.000 0.867 52 T HN 0.323 nan 8.240 nan 0.000 0.454 53 Y N 1.946 122.342 120.300 0.161 0.000 2.417 53 Y HA 0.632 5.180 4.550 -0.003 0.000 0.336 53 Y C 0.396 176.401 175.900 0.175 0.000 0.961 53 Y CA -1.681 56.532 58.100 0.190 0.000 1.215 53 Y CB 0.726 39.357 38.460 0.285 0.000 1.120 53 Y HN 0.077 nan 8.280 nan 0.000 0.499 54 R N 3.467 124.100 120.500 0.222 0.000 2.295 54 R HA 0.537 4.876 4.340 -0.003 0.000 0.324 54 R C -1.182 175.221 176.300 0.171 0.000 0.968 54 R CA -0.503 55.698 56.100 0.168 0.000 0.837 54 R CB 0.627 30.984 30.300 0.096 0.000 1.133 54 R HN 0.733 nan 8.270 nan 0.000 0.450 55 L N 4.385 125.716 121.223 0.179 0.000 2.455 55 L HA 0.153 4.492 4.340 -0.003 0.000 0.272 55 L C 0.446 177.400 176.870 0.141 0.000 1.174 55 L CA 0.393 55.338 54.840 0.174 0.000 0.869 55 L CB 0.553 42.730 42.059 0.197 0.000 1.130 55 L HN 0.539 nan 8.230 nan 0.000 0.474 56 K N 3.621 124.105 120.400 0.140 0.000 2.118 56 K HA 0.644 4.962 4.320 -0.003 0.000 0.267 56 K C -0.670 176.012 176.600 0.137 0.000 0.991 56 K CA -0.496 55.861 56.287 0.116 0.000 0.916 56 K CB 1.261 33.825 32.500 0.106 0.000 1.041 56 K HN 0.382 nan 8.250 nan 0.000 0.455 57 L N 1.258 122.494 121.223 0.021 0.000 2.235 57 L HA 0.508 4.847 4.340 -0.003 0.000 0.260 57 L C -0.983 175.669 176.870 -0.364 0.000 1.025 57 L CA -1.100 53.630 54.840 -0.183 0.000 0.836 57 L CB 0.881 42.895 42.059 -0.075 0.000 1.395 57 L HN 0.541 nan 8.230 nan 0.000 0.443 58 Y N 0.184 119.957 120.300 -0.879 0.000 2.517 58 Y HA 0.328 4.876 4.550 -0.003 0.000 0.346 58 Y C -0.783 174.924 175.900 -0.322 0.000 1.113 58 Y CA -0.506 57.288 58.100 -0.511 0.000 1.295 58 Y CB 1.249 39.276 38.460 -0.722 0.000 1.094 58 Y HN 0.442 nan 8.280 nan 0.000 0.608 59 S N 5.868 121.449 115.700 -0.198 0.000 2.400 59 S HA 0.477 4.945 4.470 -0.003 0.000 0.295 59 S C -0.592 173.914 174.600 -0.157 0.000 1.113 59 S CA -0.530 57.584 58.200 -0.144 0.000 1.064 59 S CB -0.285 62.837 63.200 -0.129 0.000 0.990 59 S HN 0.536 nan 8.310 nan 0.000 0.502 60 L N 1.119 122.227 121.223 -0.192 0.000 2.322 60 L HA 0.758 5.097 4.340 -0.003 0.000 0.269 60 L C -0.009 176.734 176.870 -0.211 0.000 1.012 60 L CA -0.828 53.853 54.840 -0.264 0.000 0.815 60 L CB 0.742 42.344 42.059 -0.762 0.000 1.295 60 L HN 0.272 nan 8.230 nan 0.000 0.438 61 R N 1.248 121.686 120.500 -0.103 0.000 2.435 61 R HA 0.305 4.644 4.340 -0.003 0.000 0.308 61 R C -1.662 174.696 176.300 0.096 0.000 0.975 61 R CA -0.459 55.643 56.100 0.003 0.000 0.867 61 R CB 0.898 31.224 30.300 0.043 0.000 1.171 61 R HN 0.843 nan 8.270 nan 0.000 0.470 62 W N 5.007 126.409 121.300 0.170 0.000 2.264 62 W HA 0.048 4.707 4.660 -0.003 0.000 0.331 62 W C 1.768 178.381 176.519 0.158 0.000 1.364 62 W CA -0.309 57.156 57.345 0.200 0.000 1.253 62 W CB 0.515 30.084 29.460 0.181 0.000 1.215 62 W HN 0.598 nan 8.180 nan 0.000 0.561 63 I N 0.139 120.970 120.570 0.435 0.000 4.227 63 I HA 0.307 4.475 4.170 -0.003 0.000 0.334 63 I C 0.626 176.896 176.117 0.256 0.000 1.341 63 I CA -0.094 61.363 61.300 0.261 0.000 1.123 63 I CB -0.073 38.020 38.000 0.154 0.000 1.097 63 I HN 0.281 nan 8.210 nan 0.000 0.399 64 S N -0.412 115.485 115.700 0.328 0.000 2.815 64 S HA 0.269 4.737 4.470 -0.003 0.000 0.296 64 S C -0.178 174.548 174.600 0.209 0.000 1.224 64 S CA -0.105 58.255 58.200 0.267 0.000 0.938 64 S CB 1.349 64.734 63.200 0.309 0.000 1.285 64 S HN 0.065 nan 8.310 nan 0.000 0.549 65 D N -0.767 119.722 120.400 0.147 0.000 2.349 65 D HA 0.245 4.884 4.640 -0.003 0.000 0.215 65 D C 0.780 176.917 176.300 -0.272 0.000 1.016 65 D CA 0.835 54.733 54.000 -0.170 0.000 0.870 65 D CB -0.010 40.613 40.800 -0.295 0.000 0.917 65 D HN 0.603 nan 8.370 nan 0.000 0.524 66 H N -1.553 117.665 119.070 0.248 0.000 3.440 66 H HA 0.453 5.008 4.556 -0.003 0.000 0.259 66 H C -0.152 175.318 175.328 0.236 0.000 1.120 66 H CA -0.231 55.976 56.048 0.266 0.000 1.191 66 H CB 0.680 30.561 29.762 0.198 0.000 1.537 66 H HN 0.003 nan 8.280 nan 0.000 0.547 67 E N 0.490 120.967 120.200 0.460 0.000 2.393 67 E HA 0.421 4.770 4.350 -0.003 0.000 0.273 67 E C -1.479 175.391 176.600 0.449 0.000 0.918 67 E CA -1.315 55.277 56.400 0.321 0.000 0.773 67 E CB 2.952 32.761 29.700 0.182 0.000 1.275 67 E HN 0.193 nan 8.360 nan 0.000 0.451 68 Y N -1.031 119.373 120.300 0.173 0.000 2.562 68 Y HA 0.643 5.191 4.550 -0.003 0.000 0.345 68 Y C -1.577 174.354 175.900 0.052 0.000 1.045 68 Y CA -1.364 56.730 58.100 -0.011 0.000 1.028 68 Y CB 0.789 38.892 38.460 -0.595 0.000 1.297 68 Y HN 0.348 nan 8.280 nan 0.000 0.463 69 L N 2.828 124.205 121.223 0.256 0.000 2.343 69 L HA 0.420 4.758 4.340 -0.003 0.000 0.275 69 L C -1.273 175.809 176.870 0.353 0.000 1.056 69 L CA -1.008 53.954 54.840 0.203 0.000 0.804 69 L CB 1.345 43.418 42.059 0.022 0.000 1.203 69 L HN 0.770 nan 8.230 nan 0.000 0.440 70 Y N 2.781 123.204 120.300 0.205 0.000 2.488 70 Y HA 0.268 4.816 4.550 -0.003 0.000 0.330 70 Y C -0.064 175.866 175.900 0.050 0.000 1.013 70 Y CA -1.211 56.927 58.100 0.063 0.000 1.304 70 Y CB 0.881 39.367 38.460 0.043 0.000 1.098 70 Y HN 0.438 nan 8.280 nan 0.000 0.498 71 K N 4.059 124.291 120.400 -0.280 0.000 2.402 71 K HA -0.065 4.254 4.320 -0.003 0.000 0.279 71 K C 0.614 176.921 176.600 -0.490 0.000 1.082 71 K CA 0.645 56.806 56.287 -0.211 0.000 1.080 71 K CB 0.476 32.911 32.500 -0.108 0.000 0.899 71 K HN 0.861 nan 8.250 nan 0.000 0.469 72 Q N 3.384 123.023 119.800 -0.270 0.000 2.188 72 Q HA -0.016 4.322 4.340 -0.003 0.000 0.212 72 Q C -0.492 175.432 176.000 -0.126 0.000 0.846 72 Q CA 0.141 55.798 55.803 -0.243 0.000 0.989 72 Q CB 0.276 28.980 28.738 -0.058 0.000 1.114 72 Q HN 0.813 nan 8.270 nan 0.000 0.488 73 E N -0.680 119.458 120.200 -0.104 0.000 3.628 73 E HA -0.287 4.061 4.350 -0.003 0.000 0.309 73 E C -0.478 176.104 176.600 -0.031 0.000 0.839 73 E CA 1.016 57.380 56.400 -0.059 0.000 1.123 73 E CB -0.415 29.249 29.700 -0.060 0.000 1.568 73 E HN 0.543 nan 8.360 nan 0.000 0.440 74 N N -0.761 117.924 118.700 -0.025 0.000 3.085 74 N HA 0.061 4.800 4.740 -0.003 0.000 0.270 74 N C -0.125 175.376 175.510 -0.015 0.000 1.319 74 N CA 0.539 53.581 53.050 -0.014 0.000 1.379 74 N CB -0.463 38.018 38.487 -0.010 0.000 0.903 74 N HN 0.089 nan 8.380 nan 0.000 1.080 75 N N 0.646 119.338 118.700 -0.013 0.000 2.483 75 N HA 0.484 5.222 4.740 -0.003 0.000 0.285 75 N C -0.888 174.623 175.510 0.002 0.000 1.210 75 N CA -0.644 52.398 53.050 -0.012 0.000 0.931 75 N CB 1.742 40.224 38.487 -0.008 0.000 1.220 75 N HN 0.331 nan 8.380 nan 0.000 0.542 76 I N 0.769 121.350 120.570 0.018 0.000 2.378 76 I HA 0.359 4.527 4.170 -0.003 0.000 0.291 76 I C -1.204 174.986 176.117 0.123 0.000 0.992 76 I CA -0.830 60.504 61.300 0.057 0.000 1.154 76 I CB 0.486 38.497 38.000 0.018 0.000 1.315 76 I HN 0.377 nan 8.210 nan 0.000 0.448 77 L N 7.252 128.565 121.223 0.150 0.000 2.331 77 L HA 0.655 4.993 4.340 -0.003 0.000 0.268 77 L C -0.473 176.465 176.870 0.114 0.000 1.015 77 L CA -1.019 53.884 54.840 0.105 0.000 0.807 77 L CB 1.613 43.681 42.059 0.015 0.000 1.293 77 L HN 0.344 nan 8.230 nan 0.000 0.451 78 V N 0.726 120.628 119.914 -0.021 0.000 2.604 78 V HA 0.568 4.686 4.120 -0.003 0.000 0.305 78 V C -1.221 174.696 176.094 -0.295 0.000 1.043 78 V CA -0.259 62.026 62.300 -0.026 0.000 0.888 78 V CB 1.767 33.647 31.823 0.095 0.000 0.995 78 V HN 0.498 nan 8.190 nan 0.000 0.429 79 F N 4.856 124.579 119.950 -0.377 0.000 2.522 79 F HA 0.519 5.044 4.527 -0.003 0.000 0.324 79 F C 0.345 175.868 175.800 -0.462 0.000 1.077 79 F CA -0.566 57.109 58.000 -0.542 0.000 0.944 79 F CB 1.885 40.183 39.000 -1.170 0.000 1.175 79 F HN 0.539 nan 8.300 nan 0.000 0.468 80 N N 1.894 120.535 118.700 -0.099 0.000 2.437 80 N HA 0.288 5.026 4.740 -0.003 0.000 0.259 80 N C 0.390 175.847 175.510 -0.088 0.000 0.983 80 N CA 0.090 53.116 53.050 -0.041 0.000 0.937 80 N CB 1.860 40.376 38.487 0.048 0.000 1.122 80 N HN 0.814 nan 8.380 nan 0.000 0.499 81 A N 3.831 126.550 122.820 -0.168 0.000 1.902 81 A HA -0.200 4.118 4.320 -0.003 0.000 0.217 81 A C 1.897 179.215 177.584 -0.442 0.000 1.181 81 A CA 1.690 53.527 52.037 -0.333 0.000 0.623 81 A CB -0.526 18.015 19.000 -0.765 0.000 0.818 81 A HN 0.833 nan 8.150 nan 0.000 0.443 82 E N -0.831 119.074 120.200 -0.492 0.000 2.033 82 E HA -0.219 4.129 4.350 -0.003 0.000 0.199 82 E C 1.526 177.872 176.600 -0.424 0.000 1.011 82 E CA 2.253 58.386 56.400 -0.444 0.000 0.815 82 E CB -0.396 28.877 29.700 -0.712 0.000 0.755 82 E HN 0.725 nan 8.360 nan 0.000 0.451 83 Y N -2.274 118.036 120.300 0.017 0.000 2.524 83 Y HA 0.392 4.940 4.550 -0.003 0.000 0.270 83 Y C 1.757 177.669 175.900 0.020 0.000 1.094 83 Y CA 0.338 58.449 58.100 0.018 0.000 1.276 83 Y CB 0.621 39.091 38.460 0.016 0.000 1.130 83 Y HN 0.241 nan 8.280 nan 0.000 0.536 84 G N 0.549 109.443 108.800 0.156 0.000 2.176 84 G HA2 -0.284 3.674 3.960 -0.003 0.000 0.232 84 G HA3 -0.284 3.674 3.960 -0.003 0.000 0.232 84 G C -0.070 174.944 174.900 0.190 0.000 0.986 84 G CA -0.003 45.204 45.100 0.178 0.000 0.643 84 G HN 0.425 nan 8.290 nan 0.000 0.522 85 N N 0.933 119.702 118.700 0.114 0.000 2.482 85 N HA 0.544 5.282 4.740 -0.003 0.000 0.260 85 N C 0.192 175.588 175.510 -0.190 0.000 1.236 85 N CA 0.702 53.749 53.050 -0.006 0.000 0.938 85 N CB 1.490 39.976 38.487 -0.001 0.000 1.128 85 N HN 0.968 nan 8.380 nan 0.000 0.448 86 S N -0.431 115.064 115.700 -0.341 0.000 2.704 86 S HA 0.809 5.277 4.470 -0.003 0.000 0.296 86 S C -0.839 173.558 174.600 -0.339 0.000 1.138 86 S CA -0.777 57.048 58.200 -0.625 0.000 0.875 86 S CB 1.556 63.979 63.200 -1.294 0.000 1.151 86 S HN 0.629 nan 8.310 nan 0.000 0.500 87 S N -0.180 115.338 115.700 -0.304 0.000 2.550 87 S HA 0.528 4.996 4.470 -0.003 0.000 0.270 87 S C -1.070 173.468 174.600 -0.103 0.000 1.145 87 S CA -0.696 57.411 58.200 -0.155 0.000 0.852 87 S CB 1.589 64.730 63.200 -0.100 0.000 1.119 87 S HN 0.763 nan 8.310 nan 0.000 0.465 88 V N 2.754 122.630 119.914 -0.063 0.000 2.637 88 V HA 0.182 4.300 4.120 -0.003 0.000 0.296 88 V C 0.370 176.480 176.094 0.028 0.000 1.046 88 V CA 0.489 62.780 62.300 -0.015 0.000 1.066 88 V CB 0.634 32.434 31.823 -0.037 0.000 0.968 88 V HN 0.940 nan 8.190 nan 0.000 0.483 89 F N 5.362 125.275 119.950 -0.060 0.000 2.622 89 F HA 0.488 5.013 4.527 -0.003 0.000 0.288 89 F C 0.195 175.963 175.800 -0.054 0.000 1.120 89 F CA 0.208 58.181 58.000 -0.044 0.000 1.423 89 F CB 0.647 39.641 39.000 -0.010 0.000 1.127 89 F HN 0.356 nan 8.300 nan 0.000 0.588 90 L N 0.889 122.176 121.223 0.106 0.000 2.588 90 L HA 0.359 4.697 4.340 -0.003 0.000 0.263 90 L C -1.006 175.831 176.870 -0.056 0.000 0.935 90 L CA -0.509 54.323 54.840 -0.012 0.000 0.891 90 L CB 1.321 43.426 42.059 0.077 0.000 1.318 90 L HN -0.237 nan 8.230 nan 0.000 0.409 91 E N 1.365 121.492 120.200 -0.123 0.000 2.404 91 E HA 0.127 4.476 4.350 -0.003 0.000 0.261 91 E C 0.709 177.245 176.600 -0.106 0.000 1.074 91 E CA 0.318 56.651 56.400 -0.111 0.000 0.917 91 E CB 0.646 30.265 29.700 -0.135 0.000 0.965 91 E HN 0.640 nan 8.360 nan 0.000 0.433 92 N N -0.240 118.420 118.700 -0.067 0.000 2.459 92 N HA -0.132 4.606 4.740 -0.003 0.000 0.181 92 N C 0.681 176.161 175.510 -0.050 0.000 1.046 92 N CA 0.983 54.008 53.050 -0.042 0.000 0.904 92 N CB -0.060 38.413 38.487 -0.024 0.000 0.964 92 N HN 0.231 nan 8.380 nan 0.000 0.444 93 S N -2.511 113.135 115.700 -0.089 0.000 2.540 93 S HA 0.134 4.603 4.470 -0.003 0.000 0.218 93 S C 1.217 175.709 174.600 -0.179 0.000 0.977 93 S CA -0.328 57.816 58.200 -0.094 0.000 0.918 93 S CB -0.481 62.672 63.200 -0.078 0.000 0.806 93 S HN 0.154 nan 8.310 nan 0.000 0.496 94 T N 1.655 116.018 114.554 -0.319 0.000 2.849 94 T HA 0.043 4.391 4.350 -0.003 0.000 0.270 94 T C 0.123 174.325 174.700 -0.830 0.000 1.066 94 T CA 1.181 62.897 62.100 -0.639 0.000 1.130 94 T CB -0.416 67.873 68.868 -0.965 0.000 0.864 94 T HN 0.568 nan 8.240 nan 0.000 0.481 95 F N 0.680 120.566 119.950 -0.107 0.000 2.805 95 F HA 0.361 4.886 4.527 -0.003 0.000 0.317 95 F C 1.099 176.920 175.800 0.036 0.000 1.146 95 F CA -1.355 56.620 58.000 -0.041 0.000 1.265 95 F CB 0.105 39.125 39.000 0.033 0.000 0.992 95 F HN -0.066 nan 8.300 nan 0.000 0.511 96 D N 1.146 121.601 120.400 0.091 0.000 2.087 96 D HA -0.176 4.462 4.640 -0.003 0.000 0.192 96 D C 1.403 177.752 176.300 0.083 0.000 0.993 96 D CA 1.451 55.493 54.000 0.070 0.000 0.828 96 D CB -0.187 40.620 40.800 0.011 0.000 0.968 96 D HN 0.507 nan 8.370 nan 0.000 0.448 97 E N 0.291 120.529 120.200 0.063 0.000 2.452 97 E HA -0.012 4.337 4.350 -0.003 0.000 0.293 97 E C 0.549 177.219 176.600 0.116 0.000 1.535 97 E CA -0.278 56.156 56.400 0.056 0.000 1.816 97 E CB -0.251 29.460 29.700 0.019 0.000 1.494 97 E HN 0.094 nan 8.360 nan 0.000 0.464 98 F N 1.471 121.400 119.950 -0.035 0.000 2.374 98 F HA 0.263 4.789 4.527 -0.002 0.000 0.291 98 F C 1.760 177.431 175.800 -0.215 0.000 1.084 98 F CA 1.128 59.091 58.000 -0.061 0.000 1.413 98 F CB 0.143 39.118 39.000 -0.041 0.000 1.099 98 F HN 0.434 nan 8.300 nan 0.000 0.534 99 G N -0.241 108.532 108.800 -0.045 0.000 2.176 99 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.253 99 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.253 99 G C 0.018 174.531 174.900 -0.644 0.000 0.979 99 G CA 0.326 45.234 45.100 -0.321 0.000 0.641 99 G HN 0.527 nan 8.290 nan 0.000 0.530 100 H N -0.101 118.722 119.070 -0.411 0.000 2.679 100 H HA 0.616 5.170 4.556 -0.003 0.000 0.360 100 H C -0.411 174.607 175.328 -0.516 0.000 1.105 100 H CA -0.119 55.572 56.048 -0.595 0.000 1.196 100 H CB 1.730 30.747 29.762 -1.241 0.000 1.636 100 H HN 0.157 nan 8.280 nan 0.000 0.531 101 S N 2.867 118.476 115.700 -0.152 0.000 2.528 101 S HA 0.296 4.764 4.470 -0.003 0.000 0.277 101 S C 0.304 174.821 174.600 -0.137 0.000 1.297 101 S CA -0.629 57.501 58.200 -0.117 0.000 1.052 101 S CB -0.241 62.926 63.200 -0.054 0.000 0.917 101 S HN 0.398 nan 8.310 nan 0.000 0.492 102 I N 5.734 126.229 120.570 -0.126 0.000 2.315 102 I HA 0.241 4.410 4.170 -0.003 0.000 0.291 102 I C 1.350 177.444 176.117 -0.038 0.000 1.006 102 I CA -0.501 60.747 61.300 -0.086 0.000 1.265 102 I CB 1.120 39.076 38.000 -0.073 0.000 1.387 102 I HN 0.757 nan 8.210 nan 0.000 0.475 103 N N 4.092 122.758 118.700 -0.056 0.000 2.325 103 N HA 0.039 4.777 4.740 -0.003 0.000 0.182 103 N C -0.124 175.329 175.510 -0.096 0.000 1.088 103 N CA 0.324 53.309 53.050 -0.108 0.000 0.879 103 N CB 0.681 39.039 38.487 -0.216 0.000 0.983 103 N HN 0.595 nan 8.380 nan 0.000 0.471 104 D N -1.091 119.300 120.400 -0.016 0.000 2.755 104 D HA 0.292 4.930 4.640 -0.003 0.000 0.277 104 D C -1.732 174.649 176.300 0.135 0.000 1.261 104 D CA -0.426 53.568 54.000 -0.010 0.000 0.759 104 D CB 1.050 41.793 40.800 -0.096 0.000 1.279 104 D HN 0.099 nan 8.370 nan 0.000 0.420 105 Y N -1.557 118.783 120.300 0.067 0.000 2.638 105 Y HA 0.755 5.303 4.550 -0.003 0.000 0.335 105 Y C -1.288 174.718 175.900 0.177 0.000 1.155 105 Y CA -0.966 57.210 58.100 0.126 0.000 1.046 105 Y CB 1.492 40.019 38.460 0.110 0.000 1.303 105 Y HN 0.168 nan 8.280 nan 0.000 0.460 106 S N 1.423 117.361 115.700 0.397 0.000 2.614 106 S HA 0.664 5.132 4.470 -0.003 0.000 0.275 106 S C -1.521 173.443 174.600 0.607 0.000 1.161 106 S CA -0.561 57.874 58.200 0.391 0.000 0.969 106 S CB 0.482 63.909 63.200 0.379 0.000 1.059 106 S HN 0.668 nan 8.310 nan 0.000 0.482 107 I N 4.312 125.115 120.570 0.389 0.000 2.365 107 I HA 0.281 4.449 4.170 -0.003 0.000 0.291 107 I C 0.886 176.883 176.117 -0.200 0.000 1.004 107 I CA -0.442 60.979 61.300 0.201 0.000 1.311 107 I CB 1.733 39.814 38.000 0.135 0.000 1.401 107 I HN 0.743 nan 8.210 nan 0.000 0.491 108 S N 5.763 120.993 115.700 -0.783 0.000 2.563 108 S HA 0.092 4.561 4.470 -0.003 0.000 0.284 108 S C -1.851 172.450 174.600 -0.499 0.000 1.331 108 S CA -0.886 56.441 58.200 -1.456 0.000 1.047 108 S CB 0.358 62.627 63.200 -1.553 0.000 0.859 108 S HN 0.439 nan 8.310 nan 0.000 0.514 109 P HA -0.113 nan 4.420 nan 0.000 0.219 109 P C 0.677 177.945 177.300 -0.054 0.000 1.146 109 P CA 1.446 64.489 63.100 -0.095 0.000 0.808 109 P CB -0.140 31.531 31.700 -0.048 0.000 0.779 110 D N -2.221 118.137 120.400 -0.071 0.000 2.328 110 D HA 0.110 4.748 4.640 -0.003 0.000 0.221 110 D C 1.399 177.682 176.300 -0.029 0.000 1.072 110 D CA 0.354 54.347 54.000 -0.011 0.000 0.850 110 D CB -1.092 39.741 40.800 0.055 0.000 0.922 110 D HN 0.160 nan 8.370 nan 0.000 0.516 111 G N 0.458 109.233 108.800 -0.043 0.000 2.175 111 G HA2 -0.423 3.535 3.960 -0.003 0.000 0.265 111 G HA3 -0.423 3.535 3.960 -0.003 0.000 0.265 111 G C 1.002 175.855 174.900 -0.079 0.000 0.979 111 G CA 0.731 45.850 45.100 0.031 0.000 0.663 111 G HN 0.485 nan 8.290 nan 0.000 0.533 112 Q N -1.488 118.161 119.800 -0.252 0.000 2.269 112 Q HA 0.316 4.654 4.340 -0.003 0.000 0.201 112 Q C 0.499 175.964 176.000 -0.891 0.000 0.946 112 Q CA 0.735 56.164 55.803 -0.623 0.000 0.877 112 Q CB 0.344 28.561 28.738 -0.869 0.000 0.963 112 Q HN 0.589 nan 8.270 nan 0.000 0.472 113 F N -0.487 119.385 119.950 -0.130 0.000 2.611 113 F HA 0.546 5.072 4.527 -0.003 0.000 0.324 113 F C -0.492 175.418 175.800 0.184 0.000 1.061 113 F CA -1.200 56.820 58.000 0.033 0.000 0.954 113 F CB 1.665 40.724 39.000 0.097 0.000 1.301 113 F HN -0.210 nan 8.300 nan 0.000 0.482 114 I N 2.343 123.279 120.570 0.610 0.000 2.499 114 I HA 0.385 4.553 4.170 -0.003 0.000 0.288 114 I C -1.691 174.806 176.117 0.633 0.000 1.048 114 I CA -0.999 60.658 61.300 0.595 0.000 1.062 114 I CB 1.580 39.883 38.000 0.505 0.000 1.238 114 I HN 0.461 nan 8.210 nan 0.000 0.426 115 L N 8.367 129.994 121.223 0.672 0.000 2.290 115 L HA 0.468 4.806 4.340 -0.003 0.000 0.284 115 L C -1.177 175.918 176.870 0.375 0.000 1.078 115 L CA 0.106 55.217 54.840 0.451 0.000 0.815 115 L CB 0.869 43.094 42.059 0.277 0.000 1.162 115 L HN 0.442 nan 8.230 nan 0.000 0.435 116 L N 5.257 126.661 121.223 0.302 0.000 2.287 116 L HA 0.478 4.817 4.340 -0.003 0.000 0.287 116 L C -0.105 176.891 176.870 0.210 0.000 1.022 116 L CA -0.424 54.551 54.840 0.225 0.000 0.814 116 L CB 1.469 43.613 42.059 0.142 0.000 1.217 116 L HN 0.623 nan 8.230 nan 0.000 0.420 117 E N 4.204 124.456 120.200 0.086 0.000 2.134 117 E HA 0.422 4.770 4.350 -0.003 0.000 0.278 117 E C -1.590 174.952 176.600 -0.098 0.000 0.959 117 E CA -0.505 55.764 56.400 -0.219 0.000 0.783 117 E CB 0.988 30.604 29.700 -0.140 0.000 1.095 117 E HN 0.445 nan 8.360 nan 0.000 0.399 118 Y N 1.763 121.832 120.300 -0.386 0.000 2.677 118 Y HA 0.460 5.008 4.550 -0.003 0.000 0.334 118 Y C -0.108 175.623 175.900 -0.281 0.000 1.154 118 Y CA -1.614 56.297 58.100 -0.316 0.000 1.070 118 Y CB 0.639 38.844 38.460 -0.424 0.000 1.294 118 Y HN 0.503 nan 8.280 nan 0.000 0.475 119 N N -0.385 118.251 118.700 -0.106 0.000 2.754 119 N HA -0.292 4.446 4.740 -0.003 0.000 0.248 119 N C -1.036 174.405 175.510 -0.115 0.000 1.093 119 N CA 0.942 53.903 53.050 -0.148 0.000 0.699 119 N CB -1.597 36.700 38.487 -0.317 0.000 1.016 119 N HN 0.881 nan 8.380 nan 0.000 0.552 120 Y N 0.407 120.595 120.300 -0.187 0.000 2.650 120 Y HA 0.263 4.812 4.550 -0.003 0.000 0.331 120 Y C 0.035 175.868 175.900 -0.112 0.000 1.165 120 Y CA 0.103 58.094 58.100 -0.181 0.000 1.473 120 Y CB 0.654 38.959 38.460 -0.258 0.000 1.224 120 Y HN -0.015 nan 8.280 nan 0.000 0.533 121 V N 8.333 127.891 119.914 -0.593 0.000 2.419 121 V HA 0.176 4.295 4.120 -0.003 0.000 0.287 121 V C -0.219 175.492 176.094 -0.637 0.000 1.017 121 V CA -1.374 60.649 62.300 -0.462 0.000 0.844 121 V CB 1.160 32.843 31.823 -0.233 0.000 1.011 121 V HN 0.757 nan 8.190 nan 0.000 0.429 122 K N 3.805 123.809 120.400 -0.659 0.000 2.485 122 K HA 0.129 4.447 4.320 -0.003 0.000 0.277 122 K C 0.471 176.891 176.600 -0.299 0.000 0.990 122 K CA 0.405 56.446 56.287 -0.410 0.000 0.994 122 K CB 1.079 33.530 32.500 -0.082 0.000 0.906 122 K HN 0.803 nan 8.250 nan 0.000 0.488 123 Q N 2.916 122.531 119.800 -0.308 0.000 2.729 123 Q HA 0.169 4.507 4.340 -0.003 0.000 0.228 123 Q C -0.006 175.733 176.000 -0.435 0.000 1.021 123 Q CA -0.372 55.054 55.803 -0.629 0.000 0.561 123 Q CB 0.099 28.303 28.738 -0.891 0.000 3.921 123 Q HN 0.742 nan 8.270 nan 0.000 0.430 124 W N 0.107 121.398 121.300 -0.015 0.000 1.941 124 W HA 0.391 5.049 4.660 -0.003 0.000 0.629 124 W C 1.813 178.313 176.519 -0.031 0.000 1.517 124 W CA -0.743 56.621 57.345 0.032 0.000 1.502 124 W CB -0.169 29.282 29.460 -0.014 0.000 3.266 124 W HN 0.257 nan 8.180 nan 0.000 0.765 125 R N -0.574 120.010 120.500 0.141 0.000 2.096 125 R HA -0.144 4.195 4.340 -0.003 0.000 0.235 125 R C 1.648 177.766 176.300 -0.302 0.000 1.127 125 R CA 1.723 57.728 56.100 -0.158 0.000 0.968 125 R CB -0.324 29.736 30.300 -0.399 0.000 0.861 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 H N -1.486 117.652 119.070 0.114 0.000 2.926 126 H HA 0.151 4.706 4.556 -0.003 0.000 0.249 126 H C 0.672 176.070 175.328 0.116 0.000 0.963 126 H CA 0.465 56.595 56.048 0.137 0.000 1.158 126 H CB 0.191 30.007 29.762 0.091 0.000 1.445 126 H HN 0.130 nan 8.280 nan 0.000 0.452 127 S N 1.358 117.035 115.700 -0.039 0.000 2.593 127 S HA 0.353 4.821 4.470 -0.003 0.000 0.269 127 S C -0.261 174.199 174.600 -0.234 0.000 1.334 127 S CA -0.379 57.483 58.200 -0.563 0.000 1.015 127 S CB 0.668 62.961 63.200 -1.511 0.000 0.912 127 S HN 0.456 nan 8.310 nan 0.000 0.541 128 Y N -2.552 117.595 120.300 -0.255 0.000 2.765 128 Y HA 0.614 5.162 4.550 -0.003 0.000 0.350 128 Y C -0.819 175.054 175.900 -0.044 0.000 1.196 128 Y CA -0.801 57.153 58.100 -0.244 0.000 1.119 128 Y CB 0.449 38.722 38.460 -0.311 0.000 1.368 128 Y HN 0.945 nan 8.280 nan 0.000 0.463 129 T N 0.094 114.729 114.554 0.135 0.000 2.932 129 T HA 1.022 5.371 4.350 -0.003 0.000 0.289 129 T C -0.563 174.248 174.700 0.184 0.000 1.039 129 T CA -0.097 62.097 62.100 0.157 0.000 1.024 129 T CB 1.704 70.598 68.868 0.044 0.000 1.090 129 T HN 2.013 nan 8.240 nan 0.000 0.496 130 A N 0.994 123.906 122.820 0.153 0.000 2.601 130 A HA 0.730 5.049 4.320 -0.003 0.000 0.291 130 A C -0.521 176.879 177.584 -0.307 0.000 1.075 130 A CA -0.948 51.018 52.037 -0.119 0.000 0.671 130 A CB 1.116 20.006 19.000 -0.183 0.000 1.277 130 A HN 0.864 nan 8.150 nan 0.000 0.417 131 S N -0.378 114.897 115.700 -0.709 0.000 2.578 131 S HA 0.782 5.250 4.470 -0.003 0.000 0.283 131 S C -1.428 172.541 174.600 -1.053 0.000 1.195 131 S CA 0.006 57.709 58.200 -0.830 0.000 1.050 131 S CB 0.468 62.891 63.200 -1.294 0.000 1.012 131 S HN 0.436 nan 8.310 nan 0.000 0.511 132 Y N 0.299 120.368 120.300 -0.386 0.000 2.524 132 Y HA 0.503 5.052 4.550 -0.003 0.000 0.347 132 Y C -0.237 175.695 175.900 0.053 0.000 1.005 132 Y CA -0.985 57.039 58.100 -0.127 0.000 1.025 132 Y CB 1.733 40.077 38.460 -0.193 0.000 1.275 132 Y HN 0.486 nan 8.280 nan 0.000 0.460 133 D N 2.253 122.866 120.400 0.354 0.000 2.671 133 D HA 0.532 5.171 4.640 -0.003 0.000 0.232 133 D C -0.992 175.446 176.300 0.229 0.000 1.114 133 D CA -0.344 53.822 54.000 0.276 0.000 0.858 133 D CB 2.741 43.744 40.800 0.339 0.000 1.544 133 D HN 0.407 nan 8.370 nan 0.000 0.471 134 I N 1.903 122.583 120.570 0.183 0.000 2.378 134 I HA 0.224 4.393 4.170 -0.003 0.000 0.291 134 I C -0.842 175.477 176.117 0.336 0.000 0.992 134 I CA -0.955 60.501 61.300 0.260 0.000 1.154 134 I CB 1.354 39.457 38.000 0.171 0.000 1.315 134 I HN 0.233 nan 8.210 nan 0.000 0.448 135 Y N 6.022 126.496 120.300 0.291 0.000 2.353 135 Y HA 0.240 4.789 4.550 -0.003 0.000 0.340 135 Y C 0.128 176.220 175.900 0.320 0.000 0.972 135 Y CA -0.507 57.759 58.100 0.276 0.000 1.157 135 Y CB 0.780 39.440 38.460 0.332 0.000 1.157 135 Y HN 0.504 nan 8.280 nan 0.000 0.495 136 D N 5.849 126.184 120.400 -0.108 0.000 2.383 136 D HA 0.050 4.688 4.640 -0.003 0.000 0.252 136 D C 0.551 176.562 176.300 -0.481 0.000 1.166 136 D CA 0.364 54.266 54.000 -0.162 0.000 0.879 136 D CB 1.170 41.910 40.800 -0.100 0.000 1.164 136 D HN 0.872 nan 8.370 nan 0.000 0.462 137 L N 3.538 124.532 121.223 -0.382 0.000 2.375 137 L HA 0.023 4.362 4.340 -0.003 0.000 0.215 137 L C 1.819 178.523 176.870 -0.278 0.000 1.108 137 L CA 0.152 54.843 54.840 -0.248 0.000 0.830 137 L CB -0.059 41.896 42.059 -0.173 0.000 0.959 137 L HN 0.371 nan 8.230 nan 0.000 0.457 138 N N 0.245 118.748 118.700 -0.329 0.000 2.405 138 N HA -0.026 4.712 4.740 -0.003 0.000 0.175 138 N C 1.236 176.624 175.510 -0.203 0.000 1.051 138 N CA 0.674 53.577 53.050 -0.246 0.000 0.899 138 N CB 0.368 38.707 38.487 -0.246 0.000 1.000 138 N HN 0.388 nan 8.380 nan 0.000 0.451 139 K N 0.519 120.780 120.400 -0.231 0.000 2.360 139 K HA 0.256 4.574 4.320 -0.003 0.000 0.196 139 K C -0.137 176.326 176.600 -0.228 0.000 1.049 139 K CA -0.221 55.954 56.287 -0.187 0.000 1.049 139 K CB 0.825 33.233 32.500 -0.153 0.000 0.881 139 K HN -0.048 nan 8.250 nan 0.000 0.542 140 R N 1.345 121.642 120.500 -0.339 0.000 3.333 140 R HA -0.201 4.137 4.340 -0.003 0.000 0.256 140 R C -0.581 175.444 176.300 -0.458 0.000 1.010 140 R CA 0.542 56.401 56.100 -0.403 0.000 0.680 140 R CB -1.926 28.299 30.300 -0.125 0.000 1.102 140 R HN 0.257 nan 8.270 nan 0.000 0.440 141 Q N 0.195 119.634 119.800 -0.602 0.000 2.375 141 Q HA 0.529 4.867 4.340 -0.003 0.000 0.271 141 Q C -0.661 175.149 176.000 -0.317 0.000 1.074 141 Q CA -0.681 54.929 55.803 -0.322 0.000 0.808 141 Q CB 1.737 30.375 28.738 -0.167 0.000 1.327 141 Q HN 0.291 nan 8.270 nan 0.000 0.441 142 L N 3.888 125.089 121.223 -0.037 0.000 2.380 142 L HA 0.351 4.689 4.340 -0.003 0.000 0.273 142 L C -0.125 176.758 176.870 0.023 0.000 1.138 142 L CA -0.300 54.592 54.840 0.087 0.000 0.832 142 L CB 0.559 42.665 42.059 0.077 0.000 1.124 142 L HN 0.621 nan 8.230 nan 0.000 0.454 143 I N 2.429 123.030 120.570 0.052 0.000 2.529 143 I HA 0.012 4.181 4.170 -0.003 0.000 0.284 143 I C 1.200 177.329 176.117 0.021 0.000 1.082 143 I CA 0.140 61.460 61.300 0.033 0.000 1.406 143 I CB 1.349 39.376 38.000 0.044 0.000 1.405 143 I HN 0.709 nan 8.210 nan 0.000 0.548 144 T N 0.584 115.143 114.554 0.007 0.000 3.010 144 T HA 0.151 4.500 4.350 -0.003 0.000 0.257 144 T C 0.352 175.048 174.700 -0.008 0.000 1.020 144 T CA -0.417 61.686 62.100 0.004 0.000 0.938 144 T CB 0.042 68.912 68.868 0.004 0.000 1.049 144 T HN 0.669 nan 8.240 nan 0.000 0.522 145 E N 1.367 121.558 120.200 -0.015 0.000 2.202 145 E HA 0.376 4.725 4.350 -0.003 0.000 0.272 145 E C -0.763 175.810 176.600 -0.045 0.000 0.951 145 E CA -0.865 55.518 56.400 -0.027 0.000 0.813 145 E CB 0.984 30.672 29.700 -0.020 0.000 1.151 145 E HN -0.028 nan 8.360 nan 0.000 0.398 146 E N 0.982 121.143 120.200 -0.065 0.000 2.360 146 E HA -0.194 4.154 4.350 -0.003 0.000 0.238 146 E C -0.474 176.052 176.600 -0.124 0.000 1.186 146 E CA 0.677 57.021 56.400 -0.093 0.000 0.719 146 E CB -1.264 28.393 29.700 -0.072 0.000 1.236 146 E HN 0.577 nan 8.360 nan 0.000 0.386 147 R N -0.144 120.281 120.500 -0.125 0.000 2.784 147 R HA 0.248 4.587 4.340 -0.003 0.000 0.266 147 R C 1.300 177.436 176.300 -0.273 0.000 1.044 147 R CA -0.264 55.748 56.100 -0.147 0.000 1.151 147 R CB 0.441 30.688 30.300 -0.089 0.000 1.037 147 R HN 0.127 nan 8.270 nan 0.000 0.478 148 I N 3.003 123.366 120.570 -0.344 0.000 2.692 148 I HA 0.036 4.204 4.170 -0.003 0.000 0.284 148 I C -1.674 174.151 176.117 -0.486 0.000 1.159 148 I CA -1.681 59.249 61.300 -0.616 0.000 1.423 148 I CB 0.360 37.969 38.000 -0.652 0.000 1.380 148 I HN 0.223 nan 8.210 nan 0.000 0.580 149 P HA 0.043 nan 4.420 nan 0.000 0.271 149 P C -0.800 176.329 177.300 -0.285 0.000 1.233 149 P CA -0.240 62.491 63.100 -0.616 0.000 0.789 149 P CB 0.376 31.229 31.700 -1.412 0.000 0.951 150 N N 1.832 120.444 118.700 -0.147 0.000 2.467 150 N HA 0.091 4.829 4.740 -0.003 0.000 0.262 150 N C 0.281 175.871 175.510 0.133 0.000 1.234 150 N CA 0.093 53.116 53.050 -0.045 0.000 0.952 150 N CB -0.382 38.087 38.487 -0.030 0.000 1.158 150 N HN 0.384 nan 8.380 nan 0.000 0.463 151 N N -1.075 117.683 118.700 0.096 0.000 2.747 151 N HA -0.160 4.578 4.740 -0.003 0.000 0.249 151 N C -0.838 174.846 175.510 0.290 0.000 1.107 151 N CA 0.691 53.839 53.050 0.162 0.000 0.707 151 N CB -1.689 36.900 38.487 0.170 0.000 1.054 151 N HN 0.461 nan 8.380 nan 0.000 0.555 152 T N 0.645 115.372 114.554 0.289 0.000 2.907 152 T HA 0.154 4.502 4.350 -0.003 0.000 0.298 152 T C 1.698 176.561 174.700 0.272 0.000 1.017 152 T CA 0.100 62.394 62.100 0.323 0.000 1.118 152 T CB 1.322 70.294 68.868 0.172 0.000 0.948 152 T HN 0.171 nan 8.240 nan 0.000 0.531 153 Q N 1.521 121.463 119.800 0.235 0.000 2.259 153 Q HA 0.187 4.525 4.340 -0.003 0.000 0.201 153 Q C 0.103 176.250 176.000 0.245 0.000 0.938 153 Q CA 0.334 56.286 55.803 0.249 0.000 0.872 153 Q CB 0.889 29.745 28.738 0.196 0.000 0.971 153 Q HN 0.692 nan 8.270 nan 0.000 0.494 154 W N 0.156 121.401 121.300 -0.093 0.000 3.372 154 W HA 0.515 5.173 4.660 -0.003 0.000 0.315 154 W C -2.211 174.205 176.519 -0.171 0.000 1.223 154 W CA -0.619 56.623 57.345 -0.171 0.000 1.202 154 W CB 1.426 30.716 29.460 -0.283 0.000 1.367 154 W HN -0.332 nan 8.180 nan 0.000 0.531 155 V N 3.257 122.331 119.914 -1.399 0.000 2.888 155 V HA 0.656 4.774 4.120 -0.003 0.000 0.309 155 V C -0.499 174.915 176.094 -1.133 0.000 1.114 155 V CA -0.623 61.049 62.300 -1.047 0.000 0.940 155 V CB 1.948 33.122 31.823 -1.081 0.000 1.021 155 V HN 0.494 nan 8.190 nan 0.000 0.426 156 T N 2.666 116.898 114.554 -0.537 0.000 3.295 156 T HA 0.449 4.797 4.350 -0.003 0.000 0.331 156 T C -1.231 173.524 174.700 0.091 0.000 1.142 156 T CA -0.333 61.661 62.100 -0.177 0.000 1.078 156 T CB 0.567 69.546 68.868 0.184 0.000 1.150 156 T HN 0.494 nan 8.240 nan 0.000 0.465 157 W N 3.457 124.814 121.300 0.095 0.000 2.123 157 W HA 0.410 5.068 4.660 -0.003 0.000 0.351 157 W C 1.373 177.801 176.519 -0.151 0.000 1.292 157 W CA -0.293 57.070 57.345 0.030 0.000 1.263 157 W CB 0.516 29.986 29.460 0.016 0.000 1.165 157 W HN 0.834 nan 8.180 nan 0.000 0.590 158 S N 1.181 116.698 115.700 -0.305 0.000 2.608 158 S HA 0.163 4.631 4.470 -0.003 0.000 0.261 158 S C -1.805 172.525 174.600 -0.451 0.000 1.314 158 S CA -1.037 56.392 58.200 -1.285 0.000 0.992 158 S CB 0.696 63.003 63.200 -1.488 0.000 0.935 158 S HN 0.295 nan 8.310 nan 0.000 0.564 159 P HA 0.121 nan 4.420 nan 0.000 0.230 159 P C -0.384 176.866 177.300 -0.083 0.000 1.158 159 P CA 0.503 63.545 63.100 -0.096 0.000 0.769 159 P CB -0.078 31.603 31.700 -0.033 0.000 0.807 160 V N -2.910 116.908 119.914 -0.160 0.000 3.114 160 V HA 0.725 4.844 4.120 -0.003 0.000 0.308 160 V C 0.711 176.722 176.094 -0.139 0.000 1.168 160 V CA -0.312 61.923 62.300 -0.108 0.000 1.015 160 V CB 1.006 32.773 31.823 -0.093 0.000 1.050 160 V HN 0.345 nan 8.190 nan 0.000 0.433 161 G N 1.816 110.571 108.800 -0.075 0.000 2.527 161 G HA2 -0.189 3.770 3.960 -0.003 0.000 0.268 161 G HA3 -0.189 3.770 3.960 -0.003 0.000 0.268 161 G C 0.081 174.991 174.900 0.017 0.000 1.175 161 G CA 0.652 45.716 45.100 -0.059 0.000 0.962 161 G HN 2.124 nan 8.290 nan 0.000 0.560 162 H N -0.424 118.659 119.070 0.022 0.000 3.064 162 H HA 0.423 4.977 4.556 -0.003 0.000 0.232 162 H C 0.304 175.805 175.328 0.289 0.000 1.308 162 H CA -0.079 56.056 56.048 0.144 0.000 1.010 162 H CB -0.337 29.527 29.762 0.171 0.000 2.408 162 H HN 0.538 nan 8.280 nan 0.000 0.599 163 K N 1.449 121.870 120.400 0.034 0.000 2.219 163 K HA 0.522 4.840 4.320 -0.003 0.000 0.258 163 K C -0.396 176.338 176.600 0.224 0.000 1.008 163 K CA -0.398 55.917 56.287 0.048 0.000 0.928 163 K CB 1.487 33.890 32.500 -0.162 0.000 0.983 163 K HN 0.131 nan 8.250 nan 0.000 0.484 164 L N 0.937 122.318 121.223 0.264 0.000 2.431 164 L HA 0.528 4.866 4.340 -0.003 0.000 0.266 164 L C -1.145 175.925 176.870 0.333 0.000 0.978 164 L CA -0.823 54.126 54.840 0.182 0.000 0.822 164 L CB 2.182 44.184 42.059 -0.095 0.000 1.310 164 L HN 0.695 nan 8.230 nan 0.000 0.409 165 A N 2.841 125.837 122.820 0.293 0.000 2.343 165 A HA 0.812 5.131 4.320 -0.003 0.000 0.308 165 A C -1.538 176.053 177.584 0.013 0.000 1.092 165 A CA -0.370 51.706 52.037 0.065 0.000 0.751 165 A CB 1.027 19.914 19.000 -0.188 0.000 1.203 165 A HN 0.638 nan 8.150 nan 0.000 0.452 166 Y N -0.314 119.908 120.300 -0.129 0.000 2.609 166 Y HA 0.797 5.345 4.550 -0.003 0.000 0.342 166 Y C -1.158 174.728 175.900 -0.022 0.000 1.058 166 Y CA -1.677 56.322 58.100 -0.168 0.000 1.055 166 Y CB 1.236 39.534 38.460 -0.269 0.000 1.292 166 Y HN 0.361 nan 8.280 nan 0.000 0.476 167 V N 2.088 122.090 119.914 0.147 0.000 2.487 167 V HA 0.342 4.461 4.120 -0.003 0.000 0.298 167 V C -1.477 174.796 176.094 0.298 0.000 1.028 167 V CA -0.604 61.769 62.300 0.122 0.000 0.860 167 V CB 1.257 33.095 31.823 0.025 0.000 0.991 167 V HN 0.872 nan 8.190 nan 0.000 0.427 168 W N 4.868 126.234 121.300 0.110 0.000 2.957 168 W HA 0.466 5.124 4.660 -0.003 0.000 0.336 168 W C 0.411 176.973 176.519 0.072 0.000 1.087 168 W CA -0.795 56.601 57.345 0.085 0.000 1.235 168 W CB 1.252 30.732 29.460 0.034 0.000 1.399 168 W HN 0.774 nan 8.180 nan 0.000 0.480 169 N N 5.541 123.853 118.700 -0.647 0.000 2.710 169 N HA -0.368 4.370 4.740 -0.003 0.000 0.249 169 N C 0.203 175.541 175.510 -0.287 0.000 1.059 169 N CA 1.128 53.812 53.050 -0.610 0.000 0.720 169 N CB -0.977 36.919 38.487 -0.986 0.000 0.983 169 N HN 0.855 nan 8.380 nan 0.000 0.544 170 N N -1.856 116.749 118.700 -0.157 0.000 2.863 170 N HA -0.170 4.568 4.740 -0.003 0.000 0.245 170 N C -1.174 174.274 175.510 -0.104 0.000 1.001 170 N CA 1.148 54.135 53.050 -0.106 0.000 0.901 170 N CB -0.356 38.032 38.487 -0.165 0.000 1.124 170 N HN 0.427 nan 8.380 nan 0.000 0.582 171 D N 0.474 120.813 120.400 -0.100 0.000 2.340 171 D HA 0.499 5.137 4.640 -0.003 0.000 0.240 171 D C 0.198 176.342 176.300 -0.260 0.000 1.001 171 D CA -0.384 53.482 54.000 -0.223 0.000 0.888 171 D CB 1.569 42.170 40.800 -0.331 0.000 1.310 171 D HN 0.029 nan 8.370 nan 0.000 0.474 172 I N 1.671 121.944 120.570 -0.495 0.000 2.472 172 I HA 0.211 4.380 4.170 -0.003 0.000 0.290 172 I C -0.639 175.009 176.117 -0.781 0.000 1.016 172 I CA -0.322 60.660 61.300 -0.531 0.000 1.348 172 I CB 0.541 38.150 38.000 -0.651 0.000 1.417 172 I HN 0.174 nan 8.210 nan 0.000 0.521 173 Y N 3.778 123.684 120.300 -0.656 0.000 2.524 173 Y HA 0.602 5.150 4.550 -0.003 0.000 0.347 173 Y C -0.429 175.143 175.900 -0.546 0.000 1.005 173 Y CA -0.862 56.821 58.100 -0.696 0.000 1.025 173 Y CB 2.098 39.880 38.460 -1.130 0.000 1.275 173 Y HN 0.099 nan 8.280 nan 0.000 0.460 174 V N 2.910 122.775 119.914 -0.082 0.000 2.656 174 V HA 0.456 4.575 4.120 -0.003 0.000 0.307 174 V C -0.765 175.478 176.094 0.249 0.000 1.051 174 V CA -1.362 60.978 62.300 0.067 0.000 0.893 174 V CB 2.035 33.885 31.823 0.045 0.000 0.999 174 V HN 0.602 nan 8.190 nan 0.000 0.426 175 K N 4.071 124.623 120.400 0.254 0.000 2.425 175 K HA 0.475 4.794 4.320 -0.003 0.000 0.259 175 K C 0.367 177.091 176.600 0.207 0.000 0.978 175 K CA -0.669 55.767 56.287 0.248 0.000 0.883 175 K CB 1.572 34.175 32.500 0.172 0.000 1.110 175 K HN 0.474 nan 8.250 nan 0.000 0.436 176 I N 1.243 121.937 120.570 0.208 0.000 2.439 176 I HA -0.088 4.080 4.170 -0.003 0.000 0.251 176 I C 0.345 176.523 176.117 0.102 0.000 1.139 176 I CA 1.443 62.809 61.300 0.109 0.000 1.438 176 I CB -0.182 37.858 38.000 0.065 0.000 1.085 176 I HN 0.510 nan 8.210 nan 0.000 0.427 177 E N -0.378 119.906 120.200 0.139 0.000 2.275 177 E HA 0.271 4.619 4.350 -0.003 0.000 0.270 177 E C -1.896 174.724 176.600 0.033 0.000 0.882 177 E CA -1.954 54.525 56.400 0.132 0.000 0.758 177 E CB 1.969 31.750 29.700 0.134 0.000 1.195 177 E HN -0.182 nan 8.360 nan 0.000 0.419 178 P HA -0.231 nan 4.420 nan 0.000 0.218 178 P C 0.851 178.091 177.300 -0.100 0.000 1.152 178 P CA 1.593 64.570 63.100 -0.205 0.000 0.857 178 P CB 0.320 31.655 31.700 -0.608 0.000 0.787 179 N N -1.887 116.781 118.700 -0.053 0.000 2.325 179 N HA 0.021 4.759 4.740 -0.003 0.000 0.182 179 N C 0.288 175.795 175.510 -0.006 0.000 1.088 179 N CA 0.244 53.283 53.050 -0.018 0.000 0.879 179 N CB -0.343 38.149 38.487 0.008 0.000 0.983 179 N HN 0.109 nan 8.380 nan 0.000 0.471 180 L N 1.246 122.478 121.223 0.015 0.000 2.439 180 L HA 0.469 4.808 4.340 -0.003 0.000 0.259 180 L C -2.076 174.787 176.870 -0.012 0.000 1.129 180 L CA -1.864 52.989 54.840 0.021 0.000 0.803 180 L CB 0.298 42.402 42.059 0.075 0.000 1.161 180 L HN -0.102 nan 8.230 nan 0.000 0.462 181 P HA 0.122 nan 4.420 nan 0.000 0.269 181 P C -0.880 176.308 177.300 -0.187 0.000 1.215 181 P CA -0.060 62.958 63.100 -0.137 0.000 0.780 181 P CB 0.609 32.197 31.700 -0.187 0.000 0.898 182 S N 0.870 116.495 115.700 -0.125 0.000 2.645 182 S HA 0.361 4.830 4.470 -0.003 0.000 0.266 182 S C -0.633 173.830 174.600 -0.228 0.000 1.258 182 S CA -0.041 58.153 58.200 -0.011 0.000 0.990 182 S CB 0.032 63.318 63.200 0.143 0.000 0.967 182 S HN 0.252 nan 8.310 nan 0.000 0.556 183 Y N 0.661 120.991 120.300 0.049 0.000 2.328 183 Y HA 0.393 4.941 4.550 -0.003 0.000 0.333 183 Y C 0.607 176.414 175.900 -0.156 0.000 0.958 183 Y CA -0.666 57.432 58.100 -0.003 0.000 1.167 183 Y CB 0.759 39.218 38.460 -0.002 0.000 1.151 183 Y HN 0.439 nan 8.280 nan 0.000 0.470 184 R N 3.780 124.164 120.500 -0.193 0.000 2.401 184 R HA 0.164 4.502 4.340 -0.003 0.000 0.299 184 R C 0.249 176.155 176.300 -0.657 0.000 1.064 184 R CA 0.151 55.759 56.100 -0.819 0.000 1.000 184 R CB 0.456 30.012 30.300 -1.240 0.000 0.973 184 R HN 0.754 nan 8.270 nan 0.000 0.438 185 I N 1.868 122.021 120.570 -0.695 0.000 3.265 185 I HA -0.016 4.152 4.170 -0.003 0.000 0.282 185 I C 1.112 177.019 176.117 -0.350 0.000 1.207 185 I CA 0.860 61.918 61.300 -0.404 0.000 1.449 185 I CB -0.573 37.153 38.000 -0.457 0.000 1.121 185 I HN 0.555 nan 8.210 nan 0.000 0.442 186 T N -4.169 110.037 114.554 -0.580 0.000 2.906 186 T HA 0.396 4.745 4.350 -0.003 0.000 0.295 186 T C -0.168 174.282 174.700 -0.417 0.000 1.061 186 T CA -0.527 61.387 62.100 -0.311 0.000 1.000 186 T CB 2.361 71.028 68.868 -0.336 0.000 1.103 186 T HN 0.211 nan 8.240 nan 0.000 0.486 187 W N 0.606 121.799 121.300 -0.178 0.000 2.555 187 W HA 0.094 4.752 4.660 -0.003 0.000 0.324 187 W C 1.735 178.199 176.519 -0.092 0.000 0.973 187 W CA 0.287 57.558 57.345 -0.123 0.000 1.481 187 W CB 0.591 29.998 29.460 -0.087 0.000 1.064 187 W HN 0.958 nan 8.180 nan 0.000 0.543 188 T N -1.943 112.666 114.554 0.092 0.000 3.088 188 T HA 0.115 4.464 4.350 -0.003 0.000 0.259 188 T C 1.285 175.982 174.700 -0.006 0.000 1.122 188 T CA 0.438 62.566 62.100 0.047 0.000 1.095 188 T CB -0.194 68.697 68.868 0.038 0.000 0.930 188 T HN -0.031 nan 8.240 nan 0.000 0.508 189 G N 1.391 110.158 108.800 -0.056 0.000 2.225 189 G HA2 0.317 4.275 3.960 -0.003 0.000 0.245 189 G HA3 0.317 4.275 3.960 -0.003 0.000 0.245 189 G C -0.569 174.267 174.900 -0.106 0.000 1.249 189 G CA -0.365 44.679 45.100 -0.093 0.000 0.919 189 G HN 0.616 nan 8.290 nan 0.000 0.486 190 K N 2.078 122.396 120.400 -0.136 0.000 2.553 190 K HA 0.238 4.556 4.320 -0.003 0.000 0.250 190 K C -0.028 176.445 176.600 -0.211 0.000 0.953 190 K CA -0.736 55.469 56.287 -0.138 0.000 0.800 190 K CB 1.749 34.202 32.500 -0.079 0.000 1.243 190 K HN 0.584 nan 8.250 nan 0.000 0.435 191 E N 2.828 122.915 120.200 -0.188 0.000 2.568 191 E HA -0.170 4.178 4.350 -0.003 0.000 0.262 191 E C -0.426 176.065 176.600 -0.181 0.000 0.961 191 E CA 1.051 57.336 56.400 -0.193 0.000 0.945 191 E CB 0.290 29.917 29.700 -0.122 0.000 0.924 191 E HN 0.685 nan 8.360 nan 0.000 0.467 192 D N 1.831 122.106 120.400 -0.209 0.000 3.041 192 D HA -0.264 4.374 4.640 -0.003 0.000 0.214 192 D C 0.675 176.954 176.300 -0.035 0.000 1.153 192 D CA 1.303 55.281 54.000 -0.038 0.000 0.972 192 D CB -0.306 40.531 40.800 0.060 0.000 1.126 192 D HN 0.355 nan 8.370 nan 0.000 0.400 193 I N -0.425 120.028 120.570 -0.195 0.000 4.049 193 I HA 0.112 4.281 4.170 -0.003 0.000 0.237 193 I C 1.067 177.162 176.117 -0.035 0.000 1.076 193 I CA 0.292 61.561 61.300 -0.052 0.000 1.610 193 I CB -0.248 37.729 38.000 -0.039 0.000 1.544 193 I HN -0.128 nan 8.210 nan 0.000 0.458 194 I N 1.388 121.892 120.570 -0.110 0.000 2.354 194 I HA 0.202 4.370 4.170 -0.003 0.000 0.292 194 I C -1.192 174.895 176.117 -0.050 0.000 0.989 194 I CA -0.466 60.850 61.300 0.027 0.000 1.188 194 I CB 0.806 38.828 38.000 0.037 0.000 1.342 194 I HN 0.112 nan 8.210 nan 0.000 0.457 195 Y N 4.634 125.031 120.300 0.160 0.000 2.328 195 Y HA 0.378 4.926 4.550 -0.003 0.000 0.333 195 Y C 0.309 176.300 175.900 0.152 0.000 0.958 195 Y CA -0.789 57.411 58.100 0.166 0.000 1.167 195 Y CB 1.032 39.654 38.460 0.271 0.000 1.151 195 Y HN 0.417 nan 8.280 nan 0.000 0.470 196 N N 2.218 121.021 118.700 0.173 0.000 2.444 196 N HA 0.345 5.084 4.740 -0.003 0.000 0.262 196 N C 0.826 176.342 175.510 0.010 0.000 0.974 196 N CA 0.431 53.539 53.050 0.097 0.000 0.933 196 N CB 1.862 40.309 38.487 -0.067 0.000 1.137 196 N HN 0.984 nan 8.380 nan 0.000 0.498 197 G N 1.564 110.403 108.800 0.066 0.000 2.184 197 G HA2 -0.255 3.704 3.960 -0.003 0.000 0.264 197 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.264 197 G C 0.127 174.919 174.900 -0.181 0.000 0.975 197 G CA 0.805 45.850 45.100 -0.091 0.000 0.642 197 G HN 0.662 nan 8.290 nan 0.000 0.536 198 I N -2.256 118.274 120.570 -0.067 0.000 3.074 198 I HA 0.834 5.003 4.170 -0.003 0.000 0.310 198 I C 0.248 176.392 176.117 0.045 0.000 1.153 198 I CA -0.714 60.434 61.300 -0.254 0.000 0.993 198 I CB 1.980 39.657 38.000 -0.539 0.000 1.237 198 I HN 0.157 nan 8.210 nan 0.000 0.443 199 T N -0.671 113.817 114.554 -0.109 0.000 2.934 199 T HA 0.436 4.785 4.350 -0.003 0.000 0.283 199 T C -0.310 174.072 174.700 -0.530 0.000 1.005 199 T CA -0.674 61.134 62.100 -0.487 0.000 1.041 199 T CB 1.443 70.184 68.868 -0.212 0.000 1.042 199 T HN 0.767 nan 8.240 nan 0.000 0.505 200 D N 0.113 119.935 120.400 -0.963 0.000 2.478 200 D HA 0.058 4.696 4.640 -0.003 0.000 0.269 200 D C 0.925 177.086 176.300 -0.233 0.000 1.232 200 D CA -1.139 52.365 54.000 -0.827 0.000 1.059 200 D CB 0.154 40.473 40.800 -0.802 0.000 1.104 200 D HN 0.687 nan 8.370 nan 0.000 0.566 201 W N 0.116 121.315 121.300 -0.168 0.000 2.333 201 W HA -0.208 4.450 4.660 -0.003 0.000 0.316 201 W C 2.136 178.514 176.519 -0.235 0.000 1.215 201 W CA 2.275 59.514 57.345 -0.178 0.000 1.278 201 W CB -0.430 28.870 29.460 -0.265 0.000 1.154 201 W HN 0.187 nan 8.180 nan 0.000 0.486 202 V N -0.191 119.756 119.914 0.055 0.000 2.548 202 V HA -0.269 3.849 4.120 -0.003 0.000 0.249 202 V C 1.772 177.665 176.094 -0.335 0.000 1.055 202 V CA 1.870 64.084 62.300 -0.143 0.000 1.065 202 V CB -0.672 31.105 31.823 -0.077 0.000 0.681 202 V HN 0.296 nan 8.190 nan 0.000 0.462 203 Y N 0.533 120.604 120.300 -0.382 0.000 2.337 203 Y HA -0.106 4.442 4.550 -0.003 0.000 0.293 203 Y C 2.539 178.257 175.900 -0.304 0.000 1.123 203 Y CA 1.911 59.763 58.100 -0.414 0.000 1.201 203 Y CB -0.010 38.071 38.460 -0.632 0.000 1.011 203 Y HN 0.379 nan 8.280 nan 0.000 0.545 204 E N 0.492 120.597 120.200 -0.158 0.000 2.031 204 E HA -0.304 4.045 4.350 -0.003 0.000 0.193 204 E C 2.004 178.522 176.600 -0.136 0.000 0.994 204 E CA 1.657 58.009 56.400 -0.080 0.000 0.800 204 E CB -0.015 29.633 29.700 -0.087 0.000 0.752 204 E HN 0.427 nan 8.360 nan 0.000 0.447 205 E N 0.158 120.085 120.200 -0.454 0.000 2.072 205 E HA -0.154 4.194 4.350 -0.003 0.000 0.190 205 E C 1.651 178.117 176.600 -0.224 0.000 0.982 205 E CA 1.549 57.687 56.400 -0.436 0.000 0.803 205 E CB 0.168 29.281 29.700 -0.978 0.000 0.755 205 E HN 0.252 nan 8.360 nan 0.000 0.453 206 E N -0.528 119.511 120.200 -0.268 0.000 2.431 206 E HA 0.039 4.388 4.350 -0.003 0.000 0.200 206 E C 1.744 178.209 176.600 -0.224 0.000 0.995 206 E CA 0.772 57.069 56.400 -0.171 0.000 0.915 206 E CB 1.213 30.806 29.700 -0.178 0.000 0.930 206 E HN 0.327 nan 8.360 nan 0.000 0.496 207 V N -1.788 117.937 119.914 -0.314 0.000 2.948 207 V HA 0.123 4.241 4.120 -0.003 0.000 0.234 207 V C 1.202 177.172 176.094 -0.207 0.000 1.205 207 V CA 0.302 62.374 62.300 -0.379 0.000 1.234 207 V CB -0.216 31.175 31.823 -0.721 0.000 1.020 207 V HN -0.042 nan 8.190 nan 0.000 0.491 208 F N 1.662 121.638 119.950 0.042 0.000 2.754 208 F HA 0.486 5.012 4.527 -0.003 0.000 0.297 208 F C 1.626 177.397 175.800 -0.048 0.000 1.122 208 F CA 0.291 58.323 58.000 0.054 0.000 1.400 208 F CB -0.561 38.509 39.000 0.118 0.000 1.117 208 F HN 0.213 nan 8.300 nan 0.000 0.587 209 S N 0.560 116.304 115.700 0.072 0.000 3.549 209 S HA 0.045 4.513 4.470 -0.003 0.000 0.366 209 S C 0.100 174.326 174.600 -0.623 0.000 1.012 209 S CA 0.466 58.594 58.200 -0.120 0.000 1.141 209 S CB -1.604 61.577 63.200 -0.032 0.000 0.910 209 S HN 0.706 nan 8.310 nan 0.000 0.471 210 A N -0.515 122.129 122.820 -0.293 0.000 2.567 210 A HA 0.663 4.981 4.320 -0.003 0.000 0.291 210 A C -0.415 177.144 177.584 -0.042 0.000 1.048 210 A CA -0.446 51.421 52.037 -0.283 0.000 0.661 210 A CB 0.183 19.017 19.000 -0.277 0.000 1.288 210 A HN 0.384 nan 8.150 nan 0.000 0.424 211 Y N 1.178 121.310 120.300 -0.280 0.000 2.476 211 Y HA 0.267 4.816 4.550 -0.003 0.000 0.283 211 Y C 1.528 177.126 175.900 -0.503 0.000 1.109 211 Y CA 0.895 58.834 58.100 -0.269 0.000 1.246 211 Y CB 0.069 38.416 38.460 -0.188 0.000 1.068 211 Y HN 0.739 nan 8.280 nan 0.000 0.552 212 S N 0.804 115.952 115.700 -0.920 0.000 2.549 212 S HA 0.439 4.907 4.470 -0.003 0.000 0.283 212 S C 0.306 174.357 174.600 -0.916 0.000 1.320 212 S CA 0.199 57.587 58.200 -1.352 0.000 1.058 212 S CB 0.469 62.538 63.200 -1.883 0.000 0.882 212 S HN 0.433 nan 8.310 nan 0.000 0.498 213 A N 4.505 126.830 122.820 -0.826 0.000 2.806 213 A HA 0.526 4.844 4.320 -0.003 0.000 0.266 213 A C -0.749 176.223 177.584 -1.021 0.000 0.926 213 A CA -0.642 50.900 52.037 -0.826 0.000 1.068 213 A CB -0.403 18.579 19.000 -0.030 0.000 1.189 213 A HN 0.962 nan 8.150 nan 0.000 0.481 214 L N -4.858 115.601 121.223 -1.275 0.000 2.422 214 L HA 0.896 5.234 4.340 -0.003 0.000 0.264 214 L C -1.336 175.064 176.870 -0.783 0.000 0.984 214 L CA -1.099 53.314 54.840 -0.712 0.000 0.819 214 L CB 1.135 42.985 42.059 -0.349 0.000 1.330 214 L HN 0.221 nan 8.230 nan 0.000 0.410 215 W N 1.875 123.244 121.300 0.114 0.000 2.587 215 W HA 0.332 4.990 4.660 -0.003 0.000 0.324 215 W C -1.460 175.335 176.519 0.461 0.000 1.008 215 W CA -0.753 56.778 57.345 0.310 0.000 1.265 215 W CB 1.542 31.226 29.460 0.373 0.000 1.328 215 W HN 0.619 nan 8.180 nan 0.000 0.432 216 W N 2.593 124.101 121.300 0.347 0.000 2.190 216 W HA 0.208 4.866 4.660 -0.003 0.000 0.330 216 W C 1.348 177.663 176.519 -0.341 0.000 1.299 216 W CA 0.285 57.691 57.345 0.101 0.000 1.215 216 W CB 0.886 30.375 29.460 0.048 0.000 1.147 216 W HN 0.195 nan 8.180 nan 0.000 0.563 217 S N 2.670 118.067 115.700 -0.505 0.000 2.596 217 S HA 0.146 4.615 4.470 -0.003 0.000 0.260 217 S C -1.746 172.552 174.600 -0.504 0.000 1.336 217 S CA -0.914 56.385 58.200 -1.501 0.000 0.993 217 S CB 0.636 63.026 63.200 -1.350 0.000 0.923 217 S HN 0.299 nan 8.310 nan 0.000 0.567 218 P HA -0.147 nan 4.420 nan 0.000 0.216 218 P C 0.769 178.016 177.300 -0.088 0.000 1.157 218 P CA 1.710 64.749 63.100 -0.102 0.000 0.880 218 P CB -0.250 31.444 31.700 -0.010 0.000 0.791 219 N N -2.158 116.480 118.700 -0.104 0.000 2.235 219 N HA 0.170 4.908 4.740 -0.003 0.000 0.209 219 N C 1.019 176.433 175.510 -0.160 0.000 1.122 219 N CA 0.381 53.369 53.050 -0.103 0.000 0.845 219 N CB -0.698 37.749 38.487 -0.066 0.000 1.004 219 N HN 0.175 nan 8.380 nan 0.000 0.499 220 G N -1.140 107.554 108.800 -0.177 0.000 2.159 220 G HA2 -0.346 3.613 3.960 -0.003 0.000 0.256 220 G HA3 -0.346 3.613 3.960 -0.003 0.000 0.256 220 G C 0.956 175.845 174.900 -0.019 0.000 0.977 220 G CA 0.762 45.728 45.100 -0.224 0.000 0.652 220 G HN 0.375 nan 8.290 nan 0.000 0.531 221 T N 0.050 114.546 114.554 -0.096 0.000 2.701 221 T HA 0.219 4.567 4.350 -0.003 0.000 0.263 221 T C 0.925 175.485 174.700 -0.233 0.000 1.040 221 T CA 1.284 63.238 62.100 -0.242 0.000 1.147 221 T CB -0.092 68.493 68.868 -0.472 0.000 0.865 221 T HN 0.262 nan 8.240 nan 0.000 0.426 222 F N 0.425 120.439 119.950 0.106 0.000 2.399 222 F HA 0.571 5.096 4.527 -0.003 0.000 0.328 222 F C 0.075 176.004 175.800 0.214 0.000 1.084 222 F CA -1.364 56.747 58.000 0.186 0.000 1.053 222 F CB 0.854 40.048 39.000 0.324 0.000 1.209 222 F HN -0.052 nan 8.300 nan 0.000 0.502 223 L N 2.652 124.082 121.223 0.345 0.000 2.377 223 L HA 0.687 5.025 4.340 -0.003 0.000 0.270 223 L C -0.881 176.123 176.870 0.224 0.000 0.991 223 L CA -0.508 54.345 54.840 0.022 0.000 0.851 223 L CB 0.924 42.715 42.059 -0.448 0.000 1.218 223 L HN 0.780 nan 8.230 nan 0.000 0.420 224 A N 4.657 127.703 122.820 0.376 0.000 2.293 224 A HA 0.767 5.086 4.320 -0.003 0.000 0.302 224 A C -1.312 176.427 177.584 0.259 0.000 1.119 224 A CA -0.255 51.894 52.037 0.187 0.000 0.823 224 A CB 0.939 20.087 19.000 0.247 0.000 1.097 224 A HN 0.731 nan 8.150 nan 0.000 0.491 225 Y N -2.208 117.915 120.300 -0.295 0.000 2.656 225 Y HA 0.756 5.304 4.550 -0.003 0.000 0.334 225 Y C -0.415 175.410 175.900 -0.125 0.000 1.179 225 Y CA -0.928 57.126 58.100 -0.077 0.000 1.050 225 Y CB 0.696 39.069 38.460 -0.146 0.000 1.308 225 Y HN 1.003 nan 8.280 nan 0.000 0.456 226 A N 1.392 124.345 122.820 0.222 0.000 2.350 226 A HA 0.765 5.083 4.320 -0.003 0.000 0.318 226 A C -1.371 176.194 177.584 -0.031 0.000 1.132 226 A CA -0.940 51.101 52.037 0.007 0.000 0.811 226 A CB 1.987 20.952 19.000 -0.059 0.000 1.313 226 A HN 0.791 nan 8.150 nan 0.000 0.454 227 Q N 0.692 120.397 119.800 -0.159 0.000 2.303 227 Q HA 0.498 4.836 4.340 -0.003 0.000 0.267 227 Q C -2.072 173.855 176.000 -0.121 0.000 1.011 227 Q CA -0.211 55.603 55.803 0.018 0.000 0.740 227 Q CB 0.944 29.819 28.738 0.229 0.000 1.250 227 Q HN 0.616 nan 8.270 nan 0.000 0.458 228 F N 2.758 122.817 119.950 0.182 0.000 2.350 228 F HA 0.285 4.811 4.527 -0.003 0.000 0.365 228 F C 0.611 176.595 175.800 0.307 0.000 1.122 228 F CA -0.755 57.334 58.000 0.148 0.000 1.139 228 F CB 0.698 39.678 39.000 -0.033 0.000 1.220 228 F HN 0.391 nan 8.300 nan 0.000 0.499 229 N N 3.500 122.418 118.700 0.363 0.000 2.678 229 N HA 0.097 4.835 4.740 -0.003 0.000 0.231 229 N C -1.087 174.586 175.510 0.272 0.000 1.038 229 N CA -0.336 52.886 53.050 0.287 0.000 0.932 229 N CB 0.227 38.830 38.487 0.194 0.000 1.176 229 N HN 0.400 nan 8.380 nan 0.000 0.511 230 D N 2.733 123.326 120.400 0.322 0.000 2.557 230 D HA 0.162 4.801 4.640 -0.003 0.000 0.236 230 D C 0.224 176.642 176.300 0.197 0.000 1.154 230 D CA -0.010 54.158 54.000 0.280 0.000 0.985 230 D CB 0.743 41.768 40.800 0.376 0.000 1.010 230 D HN 0.378 nan 8.370 nan 0.000 0.516 231 T N -0.082 114.560 114.554 0.147 0.000 3.010 231 T HA 0.064 4.412 4.350 -0.003 0.000 0.257 231 T C 1.153 175.905 174.700 0.085 0.000 1.020 231 T CA 0.143 62.306 62.100 0.104 0.000 0.938 231 T CB 0.808 69.728 68.868 0.086 0.000 1.049 231 T HN 0.217 nan 8.240 nan 0.000 0.522 232 E N 0.477 120.733 120.200 0.093 0.000 2.676 232 E HA 0.194 4.542 4.350 -0.003 0.000 0.222 232 E C -0.567 176.082 176.600 0.082 0.000 0.968 232 E CA -0.031 56.414 56.400 0.074 0.000 1.090 232 E CB 1.311 31.049 29.700 0.062 0.000 1.066 232 E HN 0.129 nan 8.360 nan 0.000 0.496 233 V N 3.755 123.733 119.914 0.107 0.000 2.470 233 V HA 0.133 4.251 4.120 -0.003 0.000 0.276 233 V C -2.022 174.130 176.094 0.097 0.000 1.040 233 V CA -1.404 60.964 62.300 0.114 0.000 1.008 233 V CB 0.339 32.253 31.823 0.151 0.000 0.990 233 V HN 0.030 nan 8.190 nan 0.000 0.477 234 P HA 0.224 nan 4.420 nan 0.000 0.271 234 P C -0.747 176.585 177.300 0.053 0.000 1.233 234 P CA -0.191 62.942 63.100 0.056 0.000 0.789 234 P CB 0.486 32.215 31.700 0.049 0.000 0.951 235 L N 1.785 123.016 121.223 0.012 0.000 2.307 235 L HA 0.460 4.798 4.340 -0.003 0.000 0.284 235 L C 0.275 177.084 176.870 -0.101 0.000 1.023 235 L CA -1.023 53.805 54.840 -0.021 0.000 0.810 235 L CB 1.140 43.182 42.059 -0.027 0.000 1.231 235 L HN 0.287 nan 8.230 nan 0.000 0.423 236 I N 2.561 123.018 120.570 -0.189 0.000 2.428 236 I HA 0.231 4.399 4.170 -0.003 0.000 0.289 236 I C -0.285 175.672 176.117 -0.267 0.000 1.019 236 I CA 0.364 61.448 61.300 -0.359 0.000 1.351 236 I CB 0.748 38.248 38.000 -0.833 0.000 1.412 236 I HN 0.579 nan 8.210 nan 0.000 0.513 237 E N 7.248 127.318 120.200 -0.217 0.000 2.248 237 E HA 0.532 4.880 4.350 -0.003 0.000 0.267 237 E C -1.796 174.739 176.600 -0.109 0.000 0.877 237 E CA -0.622 55.650 56.400 -0.212 0.000 0.759 237 E CB 2.099 31.707 29.700 -0.154 0.000 1.182 237 E HN 0.571 nan 8.360 nan 0.000 0.418 238 Y N -1.876 118.340 120.300 -0.141 0.000 2.592 238 Y HA 0.496 5.044 4.550 -0.003 0.000 0.334 238 Y C -0.757 175.080 175.900 -0.106 0.000 1.136 238 Y CA -1.254 56.774 58.100 -0.120 0.000 1.042 238 Y CB 0.710 39.105 38.460 -0.108 0.000 1.325 238 Y HN 0.223 nan 8.280 nan 0.000 0.457 239 S N 2.139 117.831 115.700 -0.013 0.000 2.580 239 S HA 0.467 4.936 4.470 -0.003 0.000 0.274 239 S C -1.335 173.120 174.600 -0.243 0.000 1.329 239 S CA -0.263 57.794 58.200 -0.238 0.000 1.036 239 S CB 0.413 63.329 63.200 -0.473 0.000 0.919 239 S HN 0.536 nan 8.310 nan 0.000 0.515 240 F N 2.046 121.719 119.950 -0.463 0.000 2.499 240 F HA 0.426 4.952 4.527 -0.001 0.000 0.333 240 F C -0.283 175.264 175.800 -0.422 0.000 1.138 240 F CA -0.986 56.833 58.000 -0.301 0.000 0.945 240 F CB 0.782 39.731 39.000 -0.084 0.000 1.181 240 F HN 0.645 nan 8.300 nan 0.000 0.435 241 Y N 2.648 122.716 120.300 -0.387 0.000 2.365 241 Y HA 0.110 4.659 4.550 -0.001 0.000 0.293 241 Y C 1.729 177.541 175.900 -0.146 0.000 1.119 241 Y CA 1.163 59.136 58.100 -0.211 0.000 1.203 241 Y CB -0.492 37.842 38.460 -0.210 0.000 1.026 241 Y HN 0.722 nan 8.280 nan 0.000 0.549 242 S N -0.329 115.265 115.700 -0.175 0.000 3.513 242 S HA -0.218 4.250 4.470 -0.003 0.000 0.636 242 S C -0.598 174.035 174.600 0.055 0.000 2.452 242 S CA 0.140 58.373 58.200 0.053 0.000 2.644 242 S CB -1.136 62.195 63.200 0.218 0.000 0.331 242 S HN 0.450 nan 8.310 nan 0.000 1.787 243 D N 1.581 122.034 120.400 0.089 0.000 2.400 243 D HA 0.130 4.769 4.640 -0.003 0.000 0.238 243 D C 1.392 177.720 176.300 0.048 0.000 1.157 243 D CA 0.450 54.487 54.000 0.061 0.000 0.889 243 D CB 0.201 41.039 40.800 0.063 0.000 1.199 243 D HN 0.622 nan 8.370 nan 0.000 0.436 244 E N 0.601 120.818 120.200 0.029 0.000 2.219 244 E HA -0.243 4.105 4.350 -0.003 0.000 0.198 244 E C 1.551 178.162 176.600 0.019 0.000 0.998 244 E CA 1.338 57.747 56.400 0.016 0.000 0.818 244 E CB 0.167 29.869 29.700 0.005 0.000 0.741 244 E HN 0.459 nan 8.360 nan 0.000 0.477 245 S N 0.196 115.913 115.700 0.028 0.000 2.423 245 S HA -0.102 4.367 4.470 -0.003 0.000 0.231 245 S C 1.216 175.839 174.600 0.038 0.000 1.014 245 S CA 0.110 58.327 58.200 0.029 0.000 0.965 245 S CB -0.277 62.944 63.200 0.034 0.000 0.785 245 S HN 0.262 nan 8.310 nan 0.000 0.495 246 L N 2.481 123.736 121.223 0.053 0.000 2.500 246 L HA 0.076 4.414 4.340 -0.003 0.000 0.272 246 L C 1.704 178.605 176.870 0.051 0.000 1.149 246 L CA 0.141 55.023 54.840 0.071 0.000 0.897 246 L CB 0.827 42.943 42.059 0.095 0.000 1.178 246 L HN 0.486 nan 8.230 nan 0.000 0.473 247 Q N 4.198 124.030 119.800 0.053 0.000 2.046 247 Q HA -0.106 4.233 4.340 -0.003 0.000 0.200 247 Q C -0.566 175.352 176.000 -0.136 0.000 0.975 247 Q CA 1.402 57.183 55.803 -0.035 0.000 0.836 247 Q CB 0.193 28.927 28.738 -0.007 0.000 0.896 247 Q HN 0.601 nan 8.270 nan 0.000 0.428 248 Y N 0.502 120.817 120.300 0.025 0.000 2.364 248 Y HA 0.395 4.944 4.550 -0.001 0.000 0.340 248 Y C -2.031 173.881 175.900 0.020 0.000 0.975 248 Y CA -2.890 55.222 58.100 0.020 0.000 1.089 248 Y CB 1.409 39.872 38.460 0.006 0.000 1.192 248 Y HN 0.156 nan 8.280 nan 0.000 0.454 249 P HA 0.015 nan 4.420 nan 0.000 0.268 249 P C -0.826 176.489 177.300 0.024 0.000 1.208 249 P CA -0.441 62.680 63.100 0.035 0.000 0.777 249 P CB 0.668 32.335 31.700 -0.055 0.000 0.875 250 K N 1.000 121.396 120.400 -0.006 0.000 2.123 250 K HA 0.396 4.714 4.320 -0.003 0.000 0.259 250 K C -0.911 175.651 176.600 -0.064 0.000 0.960 250 K CA -0.392 55.893 56.287 -0.003 0.000 0.872 250 K CB 0.810 33.336 32.500 0.043 0.000 1.079 250 K HN 0.298 nan 8.250 nan 0.000 0.440 251 T N 2.849 117.348 114.554 -0.092 0.000 2.743 251 T HA 0.235 4.583 4.350 -0.003 0.000 0.292 251 T C -0.497 174.082 174.700 -0.202 0.000 0.972 251 T CA -0.590 61.419 62.100 -0.151 0.000 0.967 251 T CB 1.099 69.892 68.868 -0.125 0.000 0.926 251 T HN 0.322 nan 8.240 nan 0.000 0.459 252 V N 5.907 125.612 119.914 -0.348 0.000 2.607 252 V HA 0.516 4.634 4.120 -0.003 0.000 0.289 252 V C 0.382 176.210 176.094 -0.443 0.000 1.053 252 V CA -0.647 61.403 62.300 -0.417 0.000 0.996 252 V CB 0.766 32.187 31.823 -0.670 0.000 0.995 252 V HN 0.778 nan 8.190 nan 0.000 0.476 253 R N 3.671 124.029 120.500 -0.236 0.000 2.532 253 R HA 0.754 5.092 4.340 -0.003 0.000 0.297 253 R C -2.004 174.270 176.300 -0.043 0.000 0.984 253 R CA -0.579 55.422 56.100 -0.165 0.000 0.884 253 R CB 1.420 31.653 30.300 -0.112 0.000 1.182 253 R HN 0.352 nan 8.270 nan 0.000 0.442 254 V N 3.085 122.972 119.914 -0.044 0.000 2.588 254 V HA 0.388 4.507 4.120 -0.003 0.000 0.304 254 V C -2.391 173.740 176.094 0.063 0.000 1.042 254 V CA -2.397 59.939 62.300 0.060 0.000 0.877 254 V CB 2.314 34.119 31.823 -0.030 0.000 0.996 254 V HN 0.631 nan 8.190 nan 0.000 0.425 255 P HA 0.209 nan 4.420 nan 0.000 0.271 255 P C -1.410 176.000 177.300 0.183 0.000 1.233 255 P CA 0.313 63.518 63.100 0.175 0.000 0.764 255 P CB -0.083 31.771 31.700 0.257 0.000 0.825 256 Y N 6.397 126.677 120.300 -0.033 0.000 2.298 256 Y HA 0.353 4.901 4.550 -0.003 0.000 0.322 256 Y C -2.812 173.065 175.900 -0.038 0.000 1.138 256 Y CA -2.888 55.148 58.100 -0.106 0.000 1.127 256 Y CB 1.683 39.943 38.460 -0.334 0.000 1.178 256 Y HN 0.282 nan 8.280 nan 0.000 0.428 257 P HA 0.258 nan 4.420 nan 0.000 0.286 257 P C -0.924 176.468 177.300 0.153 0.000 1.321 257 P CA -0.152 63.021 63.100 0.121 0.000 0.790 257 P CB 1.288 33.033 31.700 0.075 0.000 0.897 258 K N 2.071 122.618 120.400 0.246 0.000 2.102 258 K HA 0.509 4.827 4.320 -0.003 0.000 0.244 258 K C 0.567 177.276 176.600 0.182 0.000 1.021 258 K CA -0.733 55.712 56.287 0.264 0.000 0.913 258 K CB 0.564 33.215 32.500 0.252 0.000 1.062 258 K HN 0.449 nan 8.250 nan 0.000 0.485 259 A N 0.778 123.729 122.820 0.218 0.000 2.580 259 A HA 0.244 4.562 4.320 -0.003 0.000 0.244 259 A C 1.224 178.851 177.584 0.072 0.000 1.045 259 A CA 1.060 53.212 52.037 0.192 0.000 0.761 259 A CB -1.218 17.980 19.000 0.331 0.000 0.962 259 A HN 0.918 nan 8.150 nan 0.000 0.512 260 G N 0.846 109.680 108.800 0.057 0.000 2.184 260 G HA2 0.093 4.051 3.960 -0.003 0.000 0.264 260 G HA3 0.093 4.051 3.960 -0.003 0.000 0.264 260 G C 0.681 175.595 174.900 0.023 0.000 0.975 260 G CA 0.904 46.009 45.100 0.010 0.000 0.642 260 G HN 2.203 nan 8.290 nan 0.000 0.536 261 A N -0.517 122.334 122.820 0.052 0.000 2.249 261 A HA 0.761 5.079 4.320 -0.003 0.000 0.281 261 A C 0.864 178.481 177.584 0.054 0.000 1.127 261 A CA 0.267 52.336 52.037 0.054 0.000 0.833 261 A CB 0.670 19.717 19.000 0.078 0.000 1.140 261 A HN 1.153 nan 8.150 nan 0.000 0.502 262 V N 2.257 122.203 119.914 0.054 0.000 2.529 262 V HA 0.024 4.143 4.120 -0.003 0.000 0.292 262 V C 0.382 176.522 176.094 0.077 0.000 1.028 262 V CA -0.021 62.312 62.300 0.054 0.000 1.074 262 V CB -0.140 31.716 31.823 0.054 0.000 0.958 262 V HN 0.800 nan 8.190 nan 0.000 0.481 263 N N 6.076 124.820 118.700 0.075 0.000 2.476 263 N HA 0.492 5.230 4.740 -0.003 0.000 0.275 263 N C -2.341 173.259 175.510 0.150 0.000 1.190 263 N CA -1.505 51.614 53.050 0.116 0.000 0.977 263 N CB 1.124 39.673 38.487 0.104 0.000 1.200 263 N HN 0.401 nan 8.380 nan 0.000 0.515 264 P HA 0.123 nan 4.420 nan 0.000 0.274 264 P C -0.544 176.915 177.300 0.266 0.000 1.246 264 P CA -0.153 63.116 63.100 0.281 0.000 0.795 264 P CB 0.437 32.373 31.700 0.394 0.000 1.006 265 T N -2.207 112.480 114.554 0.221 0.000 2.950 265 T HA 0.623 4.971 4.350 -0.003 0.000 0.288 265 T C -0.377 174.427 174.700 0.173 0.000 1.035 265 T CA -0.861 61.324 62.100 0.140 0.000 1.028 265 T CB 1.519 70.439 68.868 0.085 0.000 1.109 265 T HN 0.366 nan 8.240 nan 0.000 0.514 266 V N 0.262 120.255 119.914 0.132 0.000 2.971 266 V HA 0.752 4.870 4.120 -0.003 0.000 0.309 266 V C -1.675 174.492 176.094 0.121 0.000 1.130 266 V CA -0.857 61.477 62.300 0.057 0.000 0.964 266 V CB 2.154 33.981 31.823 0.007 0.000 1.029 266 V HN 1.067 nan 8.190 nan 0.000 0.427 267 K N 4.197 124.624 120.400 0.044 0.000 2.435 267 K HA 0.585 4.903 4.320 -0.003 0.000 0.251 267 K C -1.965 174.577 176.600 -0.095 0.000 0.954 267 K CA -0.522 55.759 56.287 -0.009 0.000 0.820 267 K CB 2.776 35.271 32.500 -0.008 0.000 1.292 267 K HN 0.566 nan 8.250 nan 0.000 0.436 268 F N 2.520 122.198 119.950 -0.454 0.000 2.493 268 F HA 0.523 5.048 4.527 -0.003 0.000 0.329 268 F C -1.456 173.818 175.800 -0.877 0.000 1.126 268 F CA -0.706 57.005 58.000 -0.482 0.000 0.937 268 F CB 0.722 39.571 39.000 -0.252 0.000 1.146 268 F HN 0.358 nan 8.300 nan 0.000 0.442 269 F N 4.179 123.387 119.950 -1.236 0.000 2.593 269 F HA 0.780 5.305 4.527 -0.003 0.000 0.320 269 F C -0.849 174.333 175.800 -1.030 0.000 1.060 269 F CA -1.270 56.115 58.000 -1.026 0.000 0.940 269 F CB 2.016 40.339 39.000 -1.128 0.000 1.268 269 F HN 0.082 nan 8.300 nan 0.000 0.475 270 V N 2.498 122.218 119.914 -0.324 0.000 2.569 270 V HA 0.554 4.673 4.120 -0.003 0.000 0.301 270 V C -1.163 175.041 176.094 0.183 0.000 1.044 270 V CA -0.777 61.409 62.300 -0.191 0.000 0.874 270 V CB 1.872 33.285 31.823 -0.682 0.000 1.002 270 V HN 0.612 nan 8.190 nan 0.000 0.424 271 V N 4.606 124.703 119.914 0.305 0.000 2.680 271 V HA 0.538 4.656 4.120 -0.003 0.000 0.309 271 V C -0.120 176.216 176.094 0.403 0.000 1.052 271 V CA -0.636 61.863 62.300 0.330 0.000 0.908 271 V CB 2.056 34.009 31.823 0.217 0.000 1.001 271 V HN 1.000 nan 8.190 nan 0.000 0.431 272 N N 3.086 122.001 118.700 0.360 0.000 2.415 272 N HA 0.162 4.900 4.740 -0.003 0.000 0.246 272 N C 1.212 176.740 175.510 0.029 0.000 1.078 272 N CA 0.339 53.483 53.050 0.157 0.000 0.942 272 N CB 1.181 39.732 38.487 0.107 0.000 1.140 272 N HN 0.879 nan 8.380 nan 0.000 0.501 273 T N 0.026 114.583 114.554 0.004 0.000 3.072 273 T HA -0.056 4.292 4.350 -0.003 0.000 0.266 273 T C 0.822 175.481 174.700 -0.068 0.000 1.127 273 T CA 0.701 62.801 62.100 0.001 0.000 1.107 273 T CB 0.066 69.022 68.868 0.147 0.000 0.910 273 T HN 0.418 nan 8.240 nan 0.000 0.513 274 D N 2.291 122.629 120.400 -0.103 0.000 2.234 274 D HA -0.014 4.624 4.640 -0.003 0.000 0.205 274 D C 1.396 177.643 176.300 -0.087 0.000 0.962 274 D CA 0.967 54.903 54.000 -0.106 0.000 0.855 274 D CB -0.139 40.585 40.800 -0.127 0.000 0.951 274 D HN 0.636 nan 8.370 nan 0.000 0.500 275 S N 1.235 116.896 115.700 -0.063 0.000 3.983 275 S HA 0.212 4.680 4.470 -0.003 0.000 0.194 275 S C 0.283 174.848 174.600 -0.058 0.000 1.464 275 S CA -0.727 57.455 58.200 -0.031 0.000 1.021 275 S CB -0.384 62.829 63.200 0.021 0.000 1.424 275 S HN -0.034 nan 8.310 nan 0.000 0.473 276 L N 2.630 123.775 121.223 -0.130 0.000 2.476 276 L HA 0.611 4.949 4.340 -0.003 0.000 0.255 276 L C 0.252 177.074 176.870 -0.081 0.000 1.218 276 L CA 0.871 55.558 54.840 -0.256 0.000 0.819 276 L CB 1.080 42.883 42.059 -0.426 0.000 1.119 276 L HN 0.800 nan 8.230 nan 0.000 0.485 277 S N -0.437 115.279 115.700 0.025 0.000 2.548 277 S HA 0.355 4.823 4.470 -0.003 0.000 0.278 277 S C -0.040 174.785 174.600 0.375 0.000 1.150 277 S CA -0.302 58.016 58.200 0.197 0.000 0.907 277 S CB 1.220 64.506 63.200 0.143 0.000 1.108 277 S HN 0.461 nan 8.310 nan 0.000 0.459 278 S N 0.928 116.774 115.700 0.244 0.000 2.388 278 S HA 0.157 4.625 4.470 -0.003 0.000 0.223 278 S C 0.506 175.183 174.600 0.129 0.000 1.034 278 S CA 0.709 59.012 58.200 0.173 0.000 0.963 278 S CB -0.006 63.263 63.200 0.115 0.000 0.827 278 S HN 0.735 nan 8.310 nan 0.000 0.481 279 V N 2.785 122.766 119.914 0.112 0.000 2.276 279 V HA 0.536 4.655 4.120 -0.003 0.000 0.268 279 V C -0.835 175.311 176.094 0.086 0.000 1.032 279 V CA -0.072 62.280 62.300 0.087 0.000 0.810 279 V CB 0.614 32.471 31.823 0.056 0.000 1.060 279 V HN 0.282 nan 8.190 nan 0.000 0.446 280 T N 2.928 117.547 114.554 0.109 0.000 3.230 280 T HA 0.215 4.564 4.350 -0.003 0.000 0.390 280 T C -1.092 173.687 174.700 0.131 0.000 1.761 280 T CA -0.873 61.282 62.100 0.092 0.000 1.129 280 T CB 1.377 70.299 68.868 0.090 0.000 1.583 280 T HN 0.345 nan 8.240 nan 0.000 0.480 281 N N 1.516 120.269 118.700 0.088 0.000 2.438 281 N HA 0.662 5.400 4.740 -0.003 0.000 0.282 281 N C 0.023 175.610 175.510 0.129 0.000 1.037 281 N CA -0.411 52.726 53.050 0.145 0.000 0.942 281 N CB 1.517 40.011 38.487 0.012 0.000 1.136 281 N HN 0.909 nan 8.380 nan 0.000 0.481 282 A N 1.526 124.436 122.820 0.150 0.000 2.425 282 A HA 0.358 4.676 4.320 -0.003 0.000 0.242 282 A C 0.151 177.808 177.584 0.123 0.000 1.077 282 A CA -0.100 52.004 52.037 0.111 0.000 0.781 282 A CB -0.035 19.014 19.000 0.082 0.000 1.020 282 A HN 0.570 nan 8.150 nan 0.000 0.494 283 T N 2.160 116.792 114.554 0.131 0.000 2.780 283 T HA 0.406 4.755 4.350 -0.003 0.000 0.294 283 T C 0.180 174.992 174.700 0.188 0.000 0.949 283 T CA -0.093 62.094 62.100 0.145 0.000 1.074 283 T CB 0.749 69.706 68.868 0.148 0.000 0.910 283 T HN 0.498 nan 8.240 nan 0.000 0.501 284 S N 3.564 119.374 115.700 0.183 0.000 2.438 284 S HA 0.394 4.862 4.470 -0.003 0.000 0.293 284 S C 0.173 174.956 174.600 0.305 0.000 1.141 284 S CA -0.825 57.519 58.200 0.240 0.000 1.080 284 S CB 0.222 63.518 63.200 0.159 0.000 0.978 284 S HN 0.468 nan 8.310 nan 0.000 0.479 285 I N 3.488 124.242 120.570 0.307 0.000 2.325 285 I HA 0.267 4.435 4.170 -0.003 0.000 0.291 285 I C 0.590 176.809 176.117 0.171 0.000 1.019 285 I CA -0.262 61.213 61.300 0.291 0.000 1.302 285 I CB 0.834 39.089 38.000 0.424 0.000 1.401 285 I HN 0.665 nan 8.210 nan 0.000 0.485 286 Q N 6.268 126.125 119.800 0.094 0.000 2.259 286 Q HA 0.497 4.835 4.340 -0.003 0.000 0.246 286 Q C -1.119 174.785 176.000 -0.160 0.000 0.920 286 Q CA -0.491 55.144 55.803 -0.280 0.000 0.895 286 Q CB 1.530 30.008 28.738 -0.433 0.000 1.220 286 Q HN 0.565 nan 8.270 nan 0.000 0.439 287 I N 4.046 124.500 120.570 -0.193 0.000 2.354 287 I HA 0.204 4.373 4.170 -0.003 0.000 0.286 287 I C 0.485 176.560 176.117 -0.069 0.000 1.007 287 I CA -0.579 60.700 61.300 -0.035 0.000 1.167 287 I CB 1.487 39.527 38.000 0.067 0.000 1.320 287 I HN 0.752 nan 8.210 nan 0.000 0.458 288 T N 2.876 117.360 114.554 -0.118 0.000 2.814 288 T HA 0.671 5.019 4.350 -0.003 0.000 0.284 288 T C 0.362 174.847 174.700 -0.358 0.000 0.998 288 T CA -0.761 61.212 62.100 -0.210 0.000 0.935 288 T CB 1.404 70.165 68.868 -0.179 0.000 1.167 288 T HN 0.552 nan 8.240 nan 0.000 0.545 289 A N 0.918 123.407 122.820 -0.551 0.000 2.351 289 A HA 0.528 4.847 4.320 -0.003 0.000 0.257 289 A C -1.088 176.157 177.584 -0.565 0.000 1.087 289 A CA -1.553 49.968 52.037 -0.859 0.000 0.798 289 A CB -0.616 17.783 19.000 -1.002 0.000 1.033 289 A HN 0.712 nan 8.150 nan 0.000 0.488 290 P HA -0.163 nan 4.420 nan 0.000 0.217 290 P C 0.969 178.133 177.300 -0.227 0.000 1.148 290 P CA 2.945 65.855 63.100 -0.316 0.000 0.834 290 P CB 0.178 31.721 31.700 -0.261 0.000 0.783 291 A N -2.581 120.080 122.820 -0.264 0.000 2.548 291 A HA -0.221 4.097 4.320 -0.003 0.000 0.206 291 A C 1.807 179.296 177.584 -0.158 0.000 0.644 291 A CA 0.978 52.903 52.037 -0.186 0.000 1.642 291 A CB -2.457 16.467 19.000 -0.127 0.000 1.176 291 A HN 0.303 nan 8.150 nan 0.000 0.667 292 S N -0.249 115.381 115.700 -0.116 0.000 2.547 292 S HA 0.076 4.545 4.470 -0.003 0.000 0.235 292 S C 1.663 176.211 174.600 -0.087 0.000 0.980 292 S CA 1.662 59.822 58.200 -0.067 0.000 0.941 292 S CB -0.212 63.022 63.200 0.056 0.000 0.763 292 S HN 0.534 nan 8.310 nan 0.000 0.532 293 M N 0.779 120.261 119.600 -0.197 0.000 2.718 293 M HA 0.382 4.860 4.480 -0.003 0.000 0.259 293 M C 1.984 178.071 176.300 -0.356 0.000 1.240 293 M CA 0.645 55.766 55.300 -0.297 0.000 1.210 293 M CB -1.276 30.979 32.600 -0.576 0.000 1.281 293 M HN 0.303 nan 8.290 nan 0.000 0.515 294 L N 0.786 121.767 121.223 -0.402 0.000 2.263 294 L HA -0.180 4.158 4.340 -0.003 0.000 0.216 294 L C 2.360 179.182 176.870 -0.080 0.000 1.111 294 L CA 0.792 55.491 54.840 -0.236 0.000 0.773 294 L CB -0.834 41.092 42.059 -0.222 0.000 0.906 294 L HN 0.308 nan 8.230 nan 0.000 0.439 295 I N -0.804 119.714 120.570 -0.087 0.000 2.700 295 I HA -0.045 4.123 4.170 -0.003 0.000 0.261 295 I C 0.951 177.055 176.117 -0.022 0.000 1.219 295 I CA 0.988 62.255 61.300 -0.056 0.000 1.463 295 I CB -0.091 37.865 38.000 -0.074 0.000 1.092 295 I HN 0.179 nan 8.210 nan 0.000 0.452 296 G N -0.225 108.586 108.800 0.018 0.000 2.619 296 G HA2 0.211 4.169 3.960 -0.003 0.000 0.305 296 G HA3 0.211 4.169 3.960 -0.003 0.000 0.305 296 G C -1.802 173.147 174.900 0.082 0.000 1.330 296 G CA -0.597 44.520 45.100 0.028 0.000 0.789 296 G HN 0.055 nan 8.290 nan 0.000 0.487 297 D N 1.270 121.657 120.400 -0.023 0.000 2.455 297 D HA 0.410 5.048 4.640 -0.003 0.000 0.241 297 D C 0.415 176.608 176.300 -0.179 0.000 1.138 297 D CA 0.757 54.666 54.000 -0.152 0.000 0.877 297 D CB 0.382 41.076 40.800 -0.177 0.000 1.187 297 D HN 0.534 nan 8.370 nan 0.000 0.451 298 H N -0.579 118.360 119.070 -0.219 0.000 2.933 298 H HA 0.466 5.020 4.556 -0.003 0.000 0.310 298 H C -1.310 173.902 175.328 -0.192 0.000 1.351 298 H CA -0.810 55.113 56.048 -0.208 0.000 1.137 298 H CB 0.420 30.191 29.762 0.015 0.000 1.853 298 H HN 0.292 nan 8.280 nan 0.000 0.539 299 Y N -0.065 120.452 120.300 0.362 0.000 2.576 299 Y HA 0.402 4.951 4.550 -0.003 0.000 0.346 299 Y C -0.448 175.692 175.900 0.401 0.000 1.018 299 Y CA -1.172 57.134 58.100 0.344 0.000 1.050 299 Y CB 1.977 40.476 38.460 0.065 0.000 1.280 299 Y HN 0.498 nan 8.280 nan 0.000 0.474 300 L N 2.815 124.300 121.223 0.437 0.000 2.264 300 L HA 0.435 4.774 4.340 -0.003 0.000 0.289 300 L C 0.390 177.227 176.870 -0.055 0.000 1.044 300 L CA -0.282 54.419 54.840 -0.230 0.000 0.807 300 L CB 0.518 42.347 42.059 -0.383 0.000 1.192 300 L HN 0.987 nan 8.230 nan 0.000 0.425 301 C N 1.298 120.488 119.300 -0.184 0.000 3.188 301 C HA 0.494 4.953 4.460 -0.003 0.000 0.315 301 C C 0.255 175.236 174.990 -0.016 0.000 1.285 301 C CA -0.266 58.659 59.018 -0.155 0.000 1.729 301 C CB -0.524 27.157 27.740 -0.099 0.000 2.257 301 C HN 0.856 nan 8.230 nan 0.000 0.645 302 D N 0.362 120.699 120.400 -0.105 0.000 2.886 302 D HA 0.387 5.026 4.640 -0.003 0.000 0.216 302 D C -1.662 174.371 176.300 -0.444 0.000 1.256 302 D CA 0.103 54.036 54.000 -0.112 0.000 0.844 302 D CB 2.665 43.383 40.800 -0.136 0.000 1.669 302 D HN 0.373 nan 8.370 nan 0.000 0.513 303 V N 1.691 121.254 119.914 -0.585 0.000 2.524 303 V HA 0.733 4.851 4.120 -0.003 0.000 0.297 303 V C -1.507 174.206 176.094 -0.634 0.000 1.035 303 V CA -0.010 61.731 62.300 -0.931 0.000 0.867 303 V CB 1.652 32.478 31.823 -1.662 0.000 1.004 303 V HN 0.563 nan 8.190 nan 0.000 0.426 304 T N 6.368 120.657 114.554 -0.441 0.000 2.890 304 T HA 0.427 4.775 4.350 -0.003 0.000 0.295 304 T C -0.900 173.717 174.700 -0.138 0.000 0.993 304 T CA -0.096 61.911 62.100 -0.156 0.000 0.979 304 T CB 0.912 69.753 68.868 -0.045 0.000 0.967 304 T HN 0.782 nan 8.240 nan 0.000 0.441 305 W N 2.236 123.501 121.300 -0.058 0.000 2.253 305 W HA 0.451 5.109 4.660 -0.003 0.000 0.322 305 W C 1.147 177.597 176.519 -0.114 0.000 1.342 305 W CA -0.365 56.945 57.345 -0.058 0.000 1.218 305 W CB 0.565 30.069 29.460 0.073 0.000 1.205 305 W HN 0.865 nan 8.180 nan 0.000 0.551 306 A N 2.317 125.084 122.820 -0.089 0.000 1.901 306 A HA 0.160 4.478 4.320 -0.003 0.000 0.210 306 A C 0.995 178.578 177.584 -0.002 0.000 1.208 306 A CA 1.583 53.368 52.037 -0.419 0.000 0.644 306 A CB -0.385 17.848 19.000 -1.279 0.000 0.863 306 A HN 0.529 nan 8.150 nan 0.000 0.454 307 T N -5.714 108.921 114.554 0.136 0.000 2.618 307 T HA 0.356 4.704 4.350 -0.003 0.000 0.286 307 T C 0.253 175.121 174.700 0.280 0.000 1.027 307 T CA -0.376 61.838 62.100 0.189 0.000 1.063 307 T CB 0.644 69.604 68.868 0.152 0.000 1.440 307 T HN -0.063 nan 8.240 nan 0.000 0.505 308 Q N 0.416 120.348 119.800 0.221 0.000 2.291 308 Q HA 0.064 4.403 4.340 -0.003 0.000 0.205 308 Q C 0.724 176.979 176.000 0.426 0.000 0.970 308 Q CA 1.401 57.338 55.803 0.224 0.000 0.876 308 Q CB -0.104 28.731 28.738 0.162 0.000 0.935 308 Q HN 0.823 nan 8.270 nan 0.000 0.455 309 E N -0.398 120.061 120.200 0.433 0.000 3.029 309 E HA 0.224 4.572 4.350 -0.003 0.000 0.196 309 E C -0.271 176.599 176.600 0.451 0.000 0.973 309 E CA -0.155 56.532 56.400 0.479 0.000 1.242 309 E CB 1.209 31.095 29.700 0.310 0.000 1.056 309 E HN -0.072 nan 8.360 nan 0.000 0.469 310 R N 1.662 122.435 120.500 0.455 0.000 2.538 310 R HA 0.531 4.869 4.340 -0.003 0.000 0.292 310 R C -1.727 174.608 176.300 0.059 0.000 1.008 310 R CA -0.496 55.740 56.100 0.227 0.000 0.896 310 R CB 1.601 31.926 30.300 0.042 0.000 1.187 310 R HN 0.119 nan 8.270 nan 0.000 0.440 311 I N 2.836 123.284 120.570 -0.203 0.000 2.545 311 I HA 0.392 4.560 4.170 -0.003 0.000 0.292 311 I C -0.692 175.136 176.117 -0.482 0.000 1.040 311 I CA -0.421 60.511 61.300 -0.613 0.000 1.068 311 I CB 2.181 39.403 38.000 -1.297 0.000 1.251 311 I HN 0.777 nan 8.210 nan 0.000 0.424 312 S N 7.278 122.684 115.700 -0.490 0.000 2.549 312 S HA 0.827 5.295 4.470 -0.003 0.000 0.297 312 S C -1.068 173.232 174.600 -0.499 0.000 1.115 312 S CA -0.669 57.311 58.200 -0.366 0.000 1.059 312 S CB 1.994 65.080 63.200 -0.190 0.000 1.046 312 S HN 0.442 nan 8.310 nan 0.000 0.506 313 L N 1.517 122.469 121.223 -0.452 0.000 2.455 313 L HA 0.522 4.861 4.340 -0.003 0.000 0.264 313 L C -0.531 176.054 176.870 -0.475 0.000 0.968 313 L CA -0.175 54.283 54.840 -0.637 0.000 0.827 313 L CB 2.123 43.737 42.059 -0.741 0.000 1.317 313 L HN 0.862 nan 8.230 nan 0.000 0.407 314 Q N 1.687 121.157 119.800 -0.549 0.000 2.312 314 Q HA 0.542 4.880 4.340 -0.003 0.000 0.263 314 Q C -1.687 174.036 176.000 -0.462 0.000 0.995 314 Q CA -0.453 55.148 55.803 -0.338 0.000 0.853 314 Q CB 2.212 30.813 28.738 -0.227 0.000 1.300 314 Q HN 0.511 nan 8.270 nan 0.000 0.448 315 W N 2.600 123.853 121.300 -0.079 0.000 2.736 315 W HA 0.594 5.252 4.660 -0.003 0.000 0.335 315 W C -1.028 175.518 176.519 0.045 0.000 1.059 315 W CA -0.628 56.713 57.345 -0.007 0.000 1.226 315 W CB 1.222 30.650 29.460 -0.054 0.000 1.416 315 W HN 0.385 nan 8.180 nan 0.000 0.505 316 L N 3.180 124.619 121.223 0.360 0.000 2.385 316 L HA 0.603 4.941 4.340 -0.003 0.000 0.273 316 L C -0.076 176.985 176.870 0.320 0.000 0.990 316 L CA -0.962 54.058 54.840 0.299 0.000 0.821 316 L CB 1.243 43.460 42.059 0.263 0.000 1.279 316 L HN 0.420 nan 8.230 nan 0.000 0.412 317 R N 2.381 123.034 120.500 0.255 0.000 2.637 317 R HA 0.282 4.621 4.340 -0.003 0.000 0.269 317 R C 0.914 177.257 176.300 0.072 0.000 1.089 317 R CA -0.293 55.900 56.100 0.155 0.000 1.177 317 R CB 0.490 30.871 30.300 0.135 0.000 1.091 317 R HN 0.628 nan 8.270 nan 0.000 0.540 318 R N 0.854 121.303 120.500 -0.085 0.000 2.120 318 R HA -0.033 4.306 4.340 -0.003 0.000 0.234 318 R C 0.330 176.661 176.300 0.051 0.000 1.123 318 R CA 1.046 57.075 56.100 -0.119 0.000 0.975 318 R CB 0.217 30.406 30.300 -0.186 0.000 0.866 318 R HN 0.382 nan 8.270 nan 0.000 0.446 319 I N 2.994 123.592 120.570 0.046 0.000 2.278 319 I HA 0.013 4.181 4.170 -0.003 0.000 0.296 319 I C 0.062 176.237 176.117 0.098 0.000 1.121 319 I CA 0.344 61.679 61.300 0.058 0.000 1.267 319 I CB 0.943 38.965 38.000 0.036 0.000 1.447 319 I HN 0.272 nan 8.210 nan 0.000 0.509 320 Q N 4.775 124.636 119.800 0.103 0.000 2.383 320 Q HA -0.053 4.285 4.340 -0.003 0.000 0.210 320 Q C 0.483 176.569 176.000 0.144 0.000 0.891 320 Q CA 0.104 55.985 55.803 0.130 0.000 0.985 320 Q CB -0.378 28.406 28.738 0.076 0.000 1.409 320 Q HN 0.605 nan 8.270 nan 0.000 0.391 321 N N -0.702 118.084 118.700 0.143 0.000 2.291 321 N HA 0.002 4.741 4.740 -0.003 0.000 0.244 321 N C -1.207 174.419 175.510 0.193 0.000 1.216 321 N CA -0.289 52.836 53.050 0.125 0.000 0.879 321 N CB 0.352 38.886 38.487 0.079 0.000 1.167 321 N HN 0.201 nan 8.380 nan 0.000 0.515 322 Y N 0.954 121.286 120.300 0.053 0.000 2.348 322 Y HA 0.520 5.069 4.550 -0.003 0.000 0.321 322 Y C -1.320 174.624 175.900 0.072 0.000 1.163 322 Y CA -0.743 57.388 58.100 0.051 0.000 1.070 322 Y CB 1.383 39.865 38.460 0.036 0.000 1.250 322 Y HN 0.188 nan 8.280 nan 0.000 0.425 323 S N 3.658 119.249 115.700 -0.181 0.000 2.627 323 S HA 0.940 5.408 4.470 -0.003 0.000 0.283 323 S C -1.933 172.545 174.600 -0.202 0.000 1.127 323 S CA -0.840 57.324 58.200 -0.061 0.000 0.863 323 S CB 2.103 65.306 63.200 0.004 0.000 1.121 323 S HN 0.477 nan 8.310 nan 0.000 0.479 324 V N 2.062 121.958 119.914 -0.029 0.000 2.760 324 V HA 0.530 4.648 4.120 -0.003 0.000 0.309 324 V C -0.638 175.483 176.094 0.046 0.000 1.077 324 V CA -0.639 61.647 62.300 -0.023 0.000 0.910 324 V CB 1.957 33.791 31.823 0.019 0.000 1.008 324 V HN 1.021 nan 8.190 nan 0.000 0.424 325 M N 3.384 122.992 119.600 0.013 0.000 2.238 325 M HA 0.527 5.005 4.480 -0.003 0.000 0.350 325 M C -1.304 175.014 176.300 0.031 0.000 1.138 325 M CA -0.266 55.026 55.300 -0.013 0.000 1.040 325 M CB 1.232 33.783 32.600 -0.081 0.000 1.639 325 M HN 0.650 nan 8.290 nan 0.000 0.451 326 D N 4.552 124.961 120.400 0.016 0.000 2.198 326 D HA 0.555 5.193 4.640 -0.003 0.000 0.247 326 D C -1.050 175.229 176.300 -0.034 0.000 1.010 326 D CA -0.069 53.940 54.000 0.014 0.000 0.880 326 D CB 1.744 42.573 40.800 0.048 0.000 1.209 326 D HN 0.567 nan 8.370 nan 0.000 0.451 327 I N 2.357 122.927 120.570 -0.001 0.000 2.420 327 I HA 0.274 4.442 4.170 -0.003 0.000 0.282 327 I C -0.717 175.400 176.117 -0.000 0.000 1.019 327 I CA -0.589 60.706 61.300 -0.009 0.000 1.130 327 I CB 1.151 39.203 38.000 0.088 0.000 1.262 327 I HN 0.181 nan 8.210 nan 0.000 0.454 328 c N 3.757 122.346 118.600 -0.019 0.000 2.382 328 c HA 0.560 5.129 4.570 -0.003 0.000 0.327 328 c C -0.150 174.058 174.090 0.196 0.000 1.250 328 c CA -0.683 55.697 56.329 0.084 0.000 1.707 328 c CB 0.911 43.480 42.510 0.099 0.000 2.272 328 c HN 0.606 nan 8.230 nan 0.000 0.506 329 D N 0.024 120.528 120.400 0.174 0.000 2.350 329 D HA 0.364 5.002 4.640 -0.003 0.000 0.245 329 D C -0.752 175.484 176.300 -0.107 0.000 1.036 329 D CA -0.259 53.804 54.000 0.105 0.000 0.848 329 D CB 0.828 41.645 40.800 0.027 0.000 1.307 329 D HN 0.574 nan 8.370 nan 0.000 0.469 330 Y N 1.715 121.629 120.300 -0.644 0.000 2.442 330 Y HA 0.196 4.744 4.550 -0.003 0.000 0.330 330 Y C -0.230 175.358 175.900 -0.521 0.000 1.129 330 Y CA -0.155 57.225 58.100 -1.200 0.000 1.365 330 Y CB 0.706 38.354 38.460 -1.353 0.000 1.233 330 Y HN 0.209 nan 8.280 nan 0.000 0.529 331 D N 5.577 125.383 120.400 -0.991 0.000 2.443 331 D HA 0.056 4.694 4.640 -0.003 0.000 0.221 331 D C 0.778 176.499 176.300 -0.965 0.000 1.097 331 D CA -0.099 53.489 54.000 -0.688 0.000 0.865 331 D CB 0.852 41.407 40.800 -0.409 0.000 1.034 331 D HN 0.916 nan 8.370 nan 0.000 0.511 332 E N 1.848 121.618 120.200 -0.716 0.000 2.219 332 E HA -0.179 4.169 4.350 -0.003 0.000 0.198 332 E C 0.925 177.373 176.600 -0.253 0.000 0.998 332 E CA 0.874 57.005 56.400 -0.447 0.000 0.818 332 E CB 0.287 29.916 29.700 -0.119 0.000 0.741 332 E HN 0.206 nan 8.360 nan 0.000 0.477 333 S N -1.521 114.042 115.700 -0.227 0.000 2.568 333 S HA 0.186 4.654 4.470 -0.003 0.000 0.232 333 S C 0.983 175.507 174.600 -0.128 0.000 0.975 333 S CA 0.304 58.427 58.200 -0.129 0.000 0.949 333 S CB 0.294 63.440 63.200 -0.091 0.000 0.829 333 S HN 0.195 nan 8.310 nan 0.000 0.479 334 S N -0.697 114.886 115.700 -0.195 0.000 2.727 334 S HA 0.397 4.865 4.470 -0.003 0.000 0.249 334 S C 1.297 175.822 174.600 -0.125 0.000 1.079 334 S CA 1.048 59.162 58.200 -0.143 0.000 0.912 334 S CB 0.013 63.117 63.200 -0.159 0.000 0.861 334 S HN 0.987 nan 8.310 nan 0.000 0.484 335 G N 1.474 110.129 108.800 -0.242 0.000 2.179 335 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.260 335 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.260 335 G C 0.090 174.997 174.900 0.011 0.000 0.977 335 G CA 0.569 45.639 45.100 -0.050 0.000 0.641 335 G HN 0.546 nan 8.290 nan 0.000 0.533 336 R N -1.367 119.040 120.500 -0.156 0.000 2.607 336 R HA 0.730 5.068 4.340 -0.003 0.000 0.261 336 R C -0.721 175.450 176.300 -0.215 0.000 1.051 336 R CA -0.586 55.489 56.100 -0.041 0.000 1.110 336 R CB 0.473 30.764 30.300 -0.015 0.000 1.158 336 R HN 0.232 nan 8.270 nan 0.000 0.543 337 W N 0.340 121.662 121.300 0.035 0.000 2.471 337 W HA 0.454 5.113 4.660 -0.003 0.000 0.318 337 W C -0.566 175.939 176.519 -0.022 0.000 1.034 337 W CA -0.345 57.011 57.345 0.019 0.000 1.224 337 W CB 1.098 30.561 29.460 0.005 0.000 1.335 337 W HN 0.449 nan 8.180 nan 0.000 0.452 338 N N 2.102 120.867 118.700 0.108 0.000 2.361 338 N HA 0.629 5.367 4.740 -0.003 0.000 0.302 338 N C -1.506 174.040 175.510 0.060 0.000 1.074 338 N CA -0.718 52.364 53.050 0.053 0.000 0.850 338 N CB 1.419 39.900 38.487 -0.009 0.000 1.228 338 N HN 0.165 nan 8.380 nan 0.000 0.491 339 c N 2.448 121.067 118.600 0.032 0.000 2.335 339 c HA 0.364 4.932 4.570 -0.003 0.000 0.318 339 c C 0.268 174.355 174.090 -0.005 0.000 1.150 339 c CA -1.097 55.242 56.329 0.017 0.000 1.466 339 c CB -1.057 41.455 42.510 0.004 0.000 2.024 339 c HN 0.616 nan 8.230 nan 0.000 0.429 340 L N 2.715 123.937 121.223 -0.002 0.000 2.513 340 L HA 0.030 4.368 4.340 -0.003 0.000 0.272 340 L C 1.700 178.554 176.870 -0.025 0.000 1.187 340 L CA 0.268 55.101 54.840 -0.013 0.000 0.895 340 L CB 0.513 42.569 42.059 -0.006 0.000 1.147 340 L HN 0.684 nan 8.230 nan 0.000 0.483 341 V N 4.516 124.409 119.914 -0.035 0.000 2.469 341 V HA -0.284 3.835 4.120 -0.003 0.000 0.251 341 V C 2.237 178.296 176.094 -0.057 0.000 1.064 341 V CA 2.281 64.553 62.300 -0.047 0.000 1.066 341 V CB -0.053 31.742 31.823 -0.045 0.000 0.667 341 V HN 0.986 nan 8.190 nan 0.000 0.461 342 A N -0.657 122.134 122.820 -0.049 0.000 2.209 342 A HA -0.053 4.265 4.320 -0.003 0.000 0.212 342 A C 2.245 179.779 177.584 -0.084 0.000 1.158 342 A CA 1.270 53.271 52.037 -0.059 0.000 0.742 342 A CB -0.525 18.452 19.000 -0.038 0.000 0.790 342 A HN 0.596 nan 8.150 nan 0.000 0.472 343 R N -0.197 120.262 120.500 -0.068 0.000 2.312 343 R HA 0.059 4.398 4.340 -0.003 0.000 0.205 343 R C 0.500 176.718 176.300 -0.136 0.000 0.904 343 R CA 0.149 56.219 56.100 -0.050 0.000 1.052 343 R CB 0.134 30.451 30.300 0.029 0.000 1.014 343 R HN 0.852 nan 8.270 nan 0.000 0.503 344 Q N -0.313 119.384 119.800 -0.172 0.000 2.306 344 Q HA 0.159 4.497 4.340 -0.003 0.000 0.241 344 Q C -1.116 174.662 176.000 -0.369 0.000 0.948 344 Q CA -0.163 55.547 55.803 -0.156 0.000 0.886 344 Q CB 1.083 29.777 28.738 -0.073 0.000 1.227 344 Q HN 0.144 nan 8.270 nan 0.000 0.457 345 H N 0.672 119.748 119.070 0.011 0.000 2.529 345 H HA 0.483 5.037 4.556 -0.003 0.000 0.348 345 H C -1.023 174.282 175.328 -0.039 0.000 1.079 345 H CA -0.571 55.490 56.048 0.023 0.000 1.198 345 H CB 1.436 31.225 29.762 0.046 0.000 1.521 345 H HN 0.532 nan 8.280 nan 0.000 0.514 346 I N 2.069 122.657 120.570 0.030 0.000 2.359 346 I HA 0.215 4.383 4.170 -0.003 0.000 0.294 346 I C -0.061 176.005 176.117 -0.084 0.000 0.987 346 I CA -0.161 61.060 61.300 -0.131 0.000 1.225 346 I CB 1.303 39.193 38.000 -0.184 0.000 1.366 346 I HN 0.573 nan 8.210 nan 0.000 0.466 347 E N 8.258 128.361 120.200 -0.161 0.000 2.216 347 E HA 0.619 4.968 4.350 -0.003 0.000 0.260 347 E C -1.222 175.308 176.600 -0.116 0.000 0.880 347 E CA -0.701 55.661 56.400 -0.064 0.000 0.765 347 E CB 1.325 31.020 29.700 -0.009 0.000 1.174 347 E HN 0.624 nan 8.360 nan 0.000 0.417 348 M N 1.242 120.813 119.600 -0.050 0.000 2.704 348 M HA 0.648 5.127 4.480 -0.003 0.000 0.284 348 M C -1.119 175.196 176.300 0.025 0.000 1.275 348 M CA -0.944 54.355 55.300 -0.002 0.000 0.811 348 M CB 2.305 34.942 32.600 0.061 0.000 1.741 348 M HN 0.222 nan 8.290 nan 0.000 0.458 349 S N -0.676 115.043 115.700 0.032 0.000 2.547 349 S HA 0.564 5.032 4.470 -0.003 0.000 0.281 349 S C 0.191 174.789 174.600 -0.003 0.000 1.118 349 S CA 0.037 58.235 58.200 -0.003 0.000 0.947 349 S CB 1.808 64.971 63.200 -0.061 0.000 1.053 349 S HN 0.942 nan 8.310 nan 0.000 0.482 350 T N -0.128 114.422 114.554 -0.007 0.000 3.037 350 T HA 0.077 4.425 4.350 -0.003 0.000 0.251 350 T C 1.414 176.096 174.700 -0.031 0.000 1.079 350 T CA 0.957 63.054 62.100 -0.006 0.000 1.067 350 T CB -0.346 68.525 68.868 0.005 0.000 0.948 350 T HN 0.694 nan 8.240 nan 0.000 0.496 351 T N -2.335 112.185 114.554 -0.056 0.000 2.990 351 T HA 0.615 4.963 4.350 -0.003 0.000 0.250 351 T C 1.053 175.566 174.700 -0.312 0.000 1.041 351 T CA 0.300 62.356 62.100 -0.073 0.000 1.010 351 T CB 0.542 69.440 68.868 0.050 0.000 1.003 351 T HN 0.591 nan 8.240 nan 0.000 0.499 352 G N 0.324 108.765 108.800 -0.599 0.000 2.694 352 G HA2 0.504 4.462 3.960 -0.003 0.000 0.246 352 G HA3 0.504 4.462 3.960 -0.003 0.000 0.246 352 G C -1.529 173.092 174.900 -0.466 0.000 1.205 352 G CA -0.651 43.855 45.100 -0.990 0.000 0.891 352 G HN 0.459 nan 8.290 nan 0.000 0.515 353 W N -0.376 120.688 121.300 -0.393 0.000 2.181 353 W HA 0.727 5.385 4.660 -0.003 0.000 0.415 353 W C -0.413 176.069 176.519 -0.063 0.000 1.689 353 W CA -1.208 56.029 57.345 -0.179 0.000 1.859 353 W CB 0.418 29.750 29.460 -0.214 0.000 1.425 353 W HN 0.257 nan 8.180 nan 0.000 0.713 354 V N 2.700 122.703 119.914 0.148 0.000 2.370 354 V HA 0.739 4.857 4.120 -0.003 0.000 0.279 354 V C 0.662 176.839 176.094 0.139 0.000 1.029 354 V CA 0.228 62.570 62.300 0.070 0.000 0.870 354 V CB -0.065 31.801 31.823 0.072 0.000 0.984 354 V HN 1.292 nan 8.190 nan 0.000 0.451 355 G N 5.135 113.975 108.800 0.066 0.000 2.710 355 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.668 355 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.668 355 G C 0.214 175.206 174.900 0.154 0.000 1.320 355 G CA 0.039 45.207 45.100 0.113 0.000 0.860 355 G HN 0.580 nan 8.290 nan 0.000 0.538 356 R N -0.935 119.656 120.500 0.150 0.000 2.052 356 R HA 0.202 4.540 4.340 -0.003 0.000 0.226 356 R C 1.951 178.245 176.300 -0.009 0.000 1.145 356 R CA 1.997 58.141 56.100 0.073 0.000 0.952 356 R CB -0.094 30.265 30.300 0.098 0.000 0.847 356 R HN 0.449 nan 8.270 nan 0.000 0.431 357 F N -0.532 119.563 119.950 0.242 0.000 2.767 357 F HA 0.266 4.791 4.527 -0.003 0.000 0.323 357 F C 0.219 176.061 175.800 0.070 0.000 1.091 357 F CA -0.455 57.631 58.000 0.143 0.000 1.192 357 F CB 0.780 39.858 39.000 0.129 0.000 1.056 357 F HN -0.069 nan 8.300 nan 0.000 0.571 358 R N -1.624 119.023 120.500 0.244 0.000 2.825 358 R HA 0.351 4.690 4.340 -0.003 0.000 0.274 358 R C -3.406 172.971 176.300 0.128 0.000 1.026 358 R CA -1.790 54.392 56.100 0.138 0.000 0.867 358 R CB -0.005 30.337 30.300 0.071 0.000 1.268 358 R HN -0.362 nan 8.270 nan 0.000 0.491 359 P HA -0.036 nan 4.420 nan 0.000 0.264 359 P C -0.248 177.087 177.300 0.059 0.000 1.183 359 P CA 0.242 63.376 63.100 0.057 0.000 0.763 359 P CB 0.703 32.411 31.700 0.015 0.000 0.807 360 S N 1.881 117.623 115.700 0.070 0.000 2.589 360 S HA 0.090 4.558 4.470 -0.003 0.000 0.265 360 S C 0.118 174.732 174.600 0.024 0.000 1.342 360 S CA -0.666 57.585 58.200 0.085 0.000 1.005 360 S CB 0.521 63.791 63.200 0.117 0.000 0.909 360 S HN 0.587 nan 8.310 nan 0.000 0.555 361 E N 1.666 121.886 120.200 0.033 0.000 2.283 361 E HA 0.400 4.748 4.350 -0.003 0.000 0.271 361 E C -2.663 173.848 176.600 -0.148 0.000 1.031 361 E CA -2.198 54.158 56.400 -0.074 0.000 0.868 361 E CB 1.020 30.687 29.700 -0.056 0.000 1.094 361 E HN 0.488 nan 8.360 nan 0.000 0.401 362 P HA 0.235 nan 4.420 nan 0.000 0.284 362 P C -1.069 175.955 177.300 -0.460 0.000 1.258 362 P CA -0.415 62.443 63.100 -0.404 0.000 0.824 362 P CB 0.977 32.124 31.700 -0.921 0.000 1.038 363 H N 2.037 121.081 119.070 -0.042 0.000 2.685 363 H HA 0.302 4.857 4.556 -0.003 0.000 0.307 363 H C -0.281 175.115 175.328 0.113 0.000 1.017 363 H CA -0.310 55.801 56.048 0.105 0.000 1.237 363 H CB 0.291 30.161 29.762 0.180 0.000 1.409 363 H HN 0.317 nan 8.280 nan 0.000 0.488 364 F N 1.875 122.000 119.950 0.291 0.000 2.389 364 F HA 0.064 4.590 4.527 -0.003 0.000 0.337 364 F C 1.619 177.608 175.800 0.316 0.000 1.112 364 F CA -0.340 57.846 58.000 0.309 0.000 1.192 364 F CB 1.008 40.127 39.000 0.197 0.000 1.185 364 F HN 0.374 nan 8.300 nan 0.000 0.552 365 T N 0.743 115.595 114.554 0.498 0.000 2.788 365 T HA 0.087 4.435 4.350 -0.003 0.000 0.287 365 T C 1.228 176.121 174.700 0.323 0.000 1.007 365 T CA -0.890 61.440 62.100 0.384 0.000 1.005 365 T CB 0.698 69.774 68.868 0.346 0.000 1.012 365 T HN 0.475 nan 8.240 nan 0.000 0.530 366 L N 1.534 122.904 121.223 0.244 0.000 2.010 366 L HA -0.140 4.198 4.340 -0.003 0.000 0.219 366 L C 2.012 178.994 176.870 0.187 0.000 1.077 366 L CA 2.480 57.436 54.840 0.194 0.000 0.773 366 L CB -1.591 40.559 42.059 0.152 0.000 0.892 366 L HN 0.999 nan 8.230 nan 0.000 0.436 367 D N -1.821 118.691 120.400 0.187 0.000 2.328 367 D HA 0.087 4.725 4.640 -0.003 0.000 0.226 367 D C 1.484 177.896 176.300 0.185 0.000 1.066 367 D CA 0.710 54.808 54.000 0.164 0.000 0.861 367 D CB -0.613 40.272 40.800 0.141 0.000 0.912 367 D HN 0.429 nan 8.370 nan 0.000 0.521 368 G N 0.949 109.901 108.800 0.253 0.000 2.212 368 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.267 368 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.267 368 G C 0.840 175.935 174.900 0.324 0.000 1.002 368 G CA 0.512 45.780 45.100 0.280 0.000 0.729 368 G HN 0.398 nan 8.290 nan 0.000 0.517 369 N N -0.125 118.748 118.700 0.288 0.000 2.299 369 N HA 0.198 4.936 4.740 -0.003 0.000 0.187 369 N C 0.937 176.578 175.510 0.219 0.000 1.099 369 N CA 1.015 54.205 53.050 0.232 0.000 0.867 369 N CB 0.560 39.136 38.487 0.148 0.000 0.974 369 N HN 0.866 nan 8.380 nan 0.000 0.477 370 S N -0.397 115.463 115.700 0.266 0.000 2.607 370 S HA 0.794 5.263 4.470 -0.003 0.000 0.273 370 S C -0.977 173.688 174.600 0.108 0.000 1.148 370 S CA -0.943 57.276 58.200 0.032 0.000 0.833 370 S CB 1.853 65.031 63.200 -0.037 0.000 1.130 370 S HN 0.107 nan 8.310 nan 0.000 0.470 371 F N -2.061 117.742 119.950 -0.245 0.000 2.713 371 F HA 0.805 5.330 4.527 -0.003 0.000 0.311 371 F C -2.268 173.361 175.800 -0.284 0.000 1.141 371 F CA -1.563 56.221 58.000 -0.360 0.000 0.939 371 F CB 0.454 38.805 39.000 -1.083 0.000 1.325 371 F HN 0.606 nan 8.300 nan 0.000 0.453 372 Y N 1.063 121.531 120.300 0.279 0.000 2.446 372 Y HA 0.741 5.289 4.550 -0.003 0.000 0.338 372 Y C -0.177 175.910 175.900 0.312 0.000 1.055 372 Y CA -0.950 57.315 58.100 0.274 0.000 1.101 372 Y CB 2.183 40.751 38.460 0.179 0.000 1.221 372 Y HN 0.734 nan 8.280 nan 0.000 0.460 373 K N 2.527 123.187 120.400 0.434 0.000 2.557 373 K HA 0.497 4.815 4.320 -0.003 0.000 0.261 373 K C -1.807 174.968 176.600 0.292 0.000 0.932 373 K CA -0.552 55.931 56.287 0.326 0.000 0.829 373 K CB 1.696 34.339 32.500 0.239 0.000 1.358 373 K HN 0.707 nan 8.250 nan 0.000 0.430 374 I N 6.362 127.069 120.570 0.229 0.000 2.352 374 I HA 0.289 4.457 4.170 -0.003 0.000 0.290 374 I C 0.250 176.480 176.117 0.188 0.000 1.036 374 I CA -0.387 61.028 61.300 0.191 0.000 1.336 374 I CB 0.366 38.453 38.000 0.145 0.000 1.407 374 I HN 0.475 nan 8.210 nan 0.000 0.497 375 I N 2.023 122.735 120.570 0.237 0.000 3.074 375 I HA 0.504 4.672 4.170 -0.003 0.000 0.310 375 I C -0.323 175.901 176.117 0.177 0.000 1.153 375 I CA -0.805 60.621 61.300 0.210 0.000 0.993 375 I CB 2.195 40.355 38.000 0.265 0.000 1.237 375 I HN 0.346 nan 8.210 nan 0.000 0.443 376 S N 2.461 118.207 115.700 0.076 0.000 2.505 376 S HA 0.253 4.721 4.470 -0.003 0.000 0.276 376 S C -0.065 174.525 174.600 -0.015 0.000 1.274 376 S CA -0.549 57.629 58.200 -0.037 0.000 1.053 376 S CB -0.447 62.687 63.200 -0.111 0.000 0.919 376 S HN 0.888 nan 8.310 nan 0.000 0.490 377 N N 3.636 122.213 118.700 -0.204 0.000 2.418 377 N HA 0.229 4.967 4.740 -0.003 0.000 0.283 377 N C 0.313 175.718 175.510 -0.176 0.000 1.267 377 N CA -0.822 51.998 53.050 -0.384 0.000 0.975 377 N CB 0.262 38.150 38.487 -0.998 0.000 1.167 377 N HN 0.458 nan 8.380 nan 0.000 0.581 378 E N -0.236 119.874 120.200 -0.150 0.000 2.396 378 E HA -0.167 4.181 4.350 -0.003 0.000 0.200 378 E C 0.485 177.040 176.600 -0.074 0.000 1.023 378 E CA 1.064 57.419 56.400 -0.076 0.000 0.857 378 E CB -0.149 29.521 29.700 -0.049 0.000 0.775 378 E HN 0.652 nan 8.360 nan 0.000 0.525 379 E N -1.288 118.865 120.200 -0.077 0.000 2.481 379 E HA 0.145 4.493 4.350 -0.003 0.000 0.198 379 E C 0.886 177.466 176.600 -0.033 0.000 1.027 379 E CA 0.441 56.841 56.400 -0.001 0.000 0.900 379 E CB 0.654 30.406 29.700 0.087 0.000 0.993 379 E HN 0.273 nan 8.360 nan 0.000 0.482 380 G N 0.157 108.873 108.800 -0.140 0.000 2.176 380 G HA2 -0.271 3.687 3.960 -0.003 0.000 0.232 380 G HA3 -0.271 3.687 3.960 -0.003 0.000 0.232 380 G C -0.388 174.223 174.900 -0.480 0.000 0.986 380 G CA -0.108 44.797 45.100 -0.325 0.000 0.643 380 G HN 0.201 nan 8.290 nan 0.000 0.522 381 Y N 1.212 121.364 120.300 -0.247 0.000 2.313 381 Y HA 0.617 5.166 4.550 -0.003 0.000 0.332 381 Y C 1.274 176.963 175.900 -0.352 0.000 1.071 381 Y CA -0.724 57.199 58.100 -0.296 0.000 1.169 381 Y CB 0.818 39.110 38.460 -0.281 0.000 1.192 381 Y HN 0.066 nan 8.280 nan 0.000 0.487 382 R N 3.990 124.315 120.500 -0.291 0.000 2.316 382 R HA 0.228 4.566 4.340 -0.003 0.000 0.314 382 R C -0.689 175.315 176.300 -0.494 0.000 1.069 382 R CA 0.043 55.989 56.100 -0.256 0.000 0.959 382 R CB 0.091 30.303 30.300 -0.146 0.000 0.987 382 R HN 0.671 nan 8.270 nan 0.000 0.446 383 H N 1.589 120.595 119.070 -0.106 0.000 2.977 383 H HA 0.335 4.890 4.556 -0.003 0.000 0.350 383 H C -0.203 175.184 175.328 0.098 0.000 1.238 383 H CA -0.940 55.030 56.048 -0.129 0.000 1.124 383 H CB 1.550 31.113 29.762 -0.331 0.000 1.866 383 H HN 0.316 nan 8.280 nan 0.000 0.550 384 I N 1.183 121.860 120.570 0.179 0.000 2.416 384 I HA 0.059 4.227 4.170 -0.003 0.000 0.288 384 I C 0.327 176.556 176.117 0.188 0.000 1.051 384 I CA 0.116 61.506 61.300 0.150 0.000 1.375 384 I CB 0.426 38.419 38.000 -0.011 0.000 1.407 384 I HN 0.150 nan 8.210 nan 0.000 0.516 385 c N 7.076 125.740 118.600 0.106 0.000 2.417 385 c HA 0.434 5.003 4.570 -0.003 0.000 0.324 385 c C -0.488 173.530 174.090 -0.120 0.000 1.240 385 c CA -0.501 55.653 56.329 -0.292 0.000 1.632 385 c CB 0.912 42.996 42.510 -0.711 0.000 2.241 385 c HN 0.635 nan 8.230 nan 0.000 0.499 386 Y N 4.869 124.886 120.300 -0.471 0.000 2.335 386 Y HA 0.680 5.228 4.550 -0.003 0.000 0.339 386 Y C -1.079 174.402 175.900 -0.698 0.000 0.987 386 Y CA -0.954 56.808 58.100 -0.563 0.000 1.140 386 Y CB 0.215 38.432 38.460 -0.406 0.000 1.173 386 Y HN 0.605 nan 8.280 nan 0.000 0.486 387 F N 3.278 122.520 119.950 -1.180 0.000 2.538 387 F HA 0.523 5.049 4.527 -0.003 0.000 0.325 387 F C -0.331 174.710 175.800 -1.266 0.000 1.066 387 F CA -0.964 56.261 58.000 -1.292 0.000 0.946 387 F CB 1.766 39.636 39.000 -1.884 0.000 1.199 387 F HN 0.280 nan 8.300 nan 0.000 0.473 388 Q N 1.772 121.212 119.800 -0.600 0.000 2.322 388 Q HA 0.383 4.722 4.340 -0.003 0.000 0.265 388 Q C 1.062 177.009 176.000 -0.087 0.000 0.985 388 Q CA -0.327 55.269 55.803 -0.345 0.000 0.849 388 Q CB 1.529 30.116 28.738 -0.252 0.000 1.274 388 Q HN 0.690 nan 8.270 nan 0.000 0.449 389 I N -0.605 120.011 120.570 0.076 0.000 2.381 389 I HA -0.256 3.912 4.170 -0.003 0.000 0.255 389 I C 0.095 176.395 176.117 0.306 0.000 1.140 389 I CA 1.804 63.300 61.300 0.327 0.000 1.404 389 I CB -0.035 38.176 38.000 0.353 0.000 1.075 389 I HN 0.500 nan 8.210 nan 0.000 0.433 390 D N -0.069 120.421 120.400 0.150 0.000 2.538 390 D HA 0.231 4.869 4.640 -0.003 0.000 0.231 390 D C -0.053 176.274 176.300 0.044 0.000 1.229 390 D CA -0.321 53.727 54.000 0.079 0.000 0.828 390 D CB 0.052 40.879 40.800 0.044 0.000 1.035 390 D HN 0.331 nan 8.370 nan 0.000 0.495 391 K N 0.954 121.405 120.400 0.085 0.000 2.323 391 K HA 0.278 4.596 4.320 -0.003 0.000 0.259 391 K C 0.652 177.318 176.600 0.109 0.000 0.947 391 K CA -0.787 55.517 56.287 0.028 0.000 0.819 391 K CB 2.173 34.637 32.500 -0.060 0.000 1.109 391 K HN -0.192 nan 8.250 nan 0.000 0.429 392 K N 0.780 121.199 120.400 0.031 0.000 2.097 392 K HA -0.050 4.268 4.320 -0.003 0.000 0.206 392 K C 0.201 176.833 176.600 0.053 0.000 1.049 392 K CA 1.195 57.513 56.287 0.050 0.000 0.933 392 K CB 0.138 32.631 32.500 -0.012 0.000 0.717 392 K HN 0.579 nan 8.250 nan 0.000 0.442 393 D N 0.689 121.050 120.400 -0.065 0.000 2.193 393 D HA 0.137 4.775 4.640 -0.003 0.000 0.249 393 D C -0.002 176.057 176.300 -0.401 0.000 1.034 393 D CA -0.291 53.597 54.000 -0.187 0.000 0.902 393 D CB 1.705 42.412 40.800 -0.155 0.000 1.182 393 D HN 0.175 nan 8.370 nan 0.000 0.436 394 c N -0.045 118.149 118.600 -0.675 0.000 2.486 394 c HA 0.823 5.392 4.570 -0.003 0.000 0.348 394 c C 0.089 173.729 174.090 -0.749 0.000 1.203 394 c CA -0.566 55.130 56.329 -1.054 0.000 1.911 394 c CB 1.158 42.357 42.510 -2.186 0.000 2.340 394 c HN 0.472 nan 8.230 nan 0.000 0.511 395 T N 1.964 116.141 114.554 -0.628 0.000 2.807 395 T HA 0.507 4.855 4.350 -0.003 0.000 0.279 395 T C -0.771 173.684 174.700 -0.409 0.000 0.993 395 T CA 0.101 61.979 62.100 -0.370 0.000 0.970 395 T CB 0.554 69.368 68.868 -0.090 0.000 0.950 395 T HN 0.489 nan 8.240 nan 0.000 0.441 396 F N 3.347 123.196 119.950 -0.167 0.000 2.467 396 F HA 0.283 4.808 4.527 -0.003 0.000 0.362 396 F C 1.620 177.263 175.800 -0.261 0.000 1.090 396 F CA -1.130 56.754 58.000 -0.194 0.000 1.202 396 F CB 0.413 39.295 39.000 -0.196 0.000 1.113 396 F HN 0.562 nan 8.300 nan 0.000 0.541 397 I N -0.382 120.076 120.570 -0.187 0.000 3.860 397 I HA 0.216 4.384 4.170 -0.003 0.000 0.319 397 I C 0.162 176.085 176.117 -0.322 0.000 1.279 397 I CA 0.153 61.115 61.300 -0.564 0.000 1.220 397 I CB -0.086 37.333 38.000 -0.968 0.000 1.027 397 I HN 0.487 nan 8.210 nan 0.000 0.428 398 T N 0.191 114.620 114.554 -0.208 0.000 2.903 398 T HA 0.775 5.123 4.350 -0.003 0.000 0.299 398 T C -0.723 173.549 174.700 -0.714 0.000 1.093 398 T CA -0.655 61.290 62.100 -0.258 0.000 1.002 398 T CB 2.661 71.460 68.868 -0.113 0.000 1.127 398 T HN 0.431 nan 8.240 nan 0.000 0.488 399 K N -0.153 119.678 120.400 -0.948 0.000 2.578 399 K HA 0.914 5.232 4.320 -0.003 0.000 0.287 399 K C -0.185 175.771 176.600 -1.074 0.000 1.010 399 K CA -0.397 55.043 56.287 -1.412 0.000 0.889 399 K CB 1.015 33.099 32.500 -0.693 0.000 1.514 399 K HN 1.652 nan 8.250 nan 0.000 0.424 400 G N -0.449 107.806 108.800 -0.908 0.000 2.355 400 G HA2 0.143 4.101 3.960 -0.003 0.000 0.619 400 G HA3 0.143 4.101 3.960 -0.003 0.000 0.619 400 G C -0.863 173.504 174.900 -0.888 0.000 1.337 400 G CA -0.442 44.264 45.100 -0.657 0.000 0.993 400 G HN 1.267 nan 8.290 nan 0.000 0.599 401 T N -0.237 113.903 114.554 -0.690 0.000 4.098 401 T HA 0.562 4.910 4.350 -0.003 0.000 0.291 401 T C 0.275 174.791 174.700 -0.308 0.000 1.440 401 T CA 0.586 62.082 62.100 -1.007 0.000 1.164 401 T CB -0.938 67.581 68.868 -0.583 0.000 1.313 401 T HN 1.474 nan 8.240 nan 0.000 0.951 402 W N -0.278 120.905 121.300 -0.195 0.000 2.895 402 W HA 0.638 5.297 4.660 -0.003 0.000 0.377 402 W C -1.393 175.127 176.519 0.002 0.000 1.191 402 W CA -0.985 56.364 57.345 0.007 0.000 1.179 402 W CB 0.660 30.103 29.460 -0.029 0.000 1.469 402 W HN 0.192 nan 8.180 nan 0.000 0.577 403 E N 0.574 120.974 120.200 0.333 0.000 2.369 403 E HA 0.455 4.804 4.350 -0.003 0.000 0.270 403 E C -1.278 175.445 176.600 0.206 0.000 0.909 403 E CA -1.164 55.229 56.400 -0.012 0.000 0.775 403 E CB 3.354 33.064 29.700 0.017 0.000 1.270 403 E HN 0.150 nan 8.360 nan 0.000 0.445 404 V N 3.538 123.447 119.914 -0.008 0.000 2.455 404 V HA 0.016 4.134 4.120 -0.003 0.000 0.273 404 V C 1.171 177.358 176.094 0.155 0.000 1.045 404 V CA -0.045 62.342 62.300 0.145 0.000 0.976 404 V CB 0.568 32.379 31.823 -0.021 0.000 0.993 404 V HN 0.679 nan 8.190 nan 0.000 0.475 405 I N 3.355 124.045 120.570 0.200 0.000 2.235 405 I HA 0.211 4.379 4.170 -0.003 0.000 0.241 405 I C 1.155 177.391 176.117 0.198 0.000 1.085 405 I CA 1.288 62.695 61.300 0.179 0.000 1.378 405 I CB -0.794 37.246 38.000 0.067 0.000 1.076 405 I HN 0.740 nan 8.210 nan 0.000 0.415 406 G N 0.386 109.306 108.800 0.200 0.000 2.703 406 G HA2 0.546 4.504 3.960 -0.003 0.000 0.294 406 G HA3 0.546 4.504 3.960 -0.003 0.000 0.294 406 G C -1.224 173.789 174.900 0.187 0.000 1.451 406 G CA -0.533 44.685 45.100 0.197 0.000 0.869 406 G HN -0.029 nan 8.290 nan 0.000 0.516 407 I N 1.772 122.412 120.570 0.116 0.000 2.337 407 I HA 0.200 4.368 4.170 -0.003 0.000 0.291 407 I C 0.731 176.789 176.117 -0.099 0.000 1.046 407 I CA -0.499 60.767 61.300 -0.056 0.000 1.324 407 I CB 1.642 39.405 38.000 -0.396 0.000 1.409 407 I HN 0.493 nan 8.210 nan 0.000 0.494 408 E N 5.057 125.252 120.200 -0.010 0.000 2.216 408 E HA 0.288 4.636 4.350 -0.003 0.000 0.192 408 E C 0.193 176.709 176.600 -0.140 0.000 0.973 408 E CA 0.251 56.672 56.400 0.034 0.000 0.851 408 E CB 0.625 30.443 29.700 0.196 0.000 0.804 408 E HN 0.677 nan 8.360 nan 0.000 0.477 409 A N 0.492 123.139 122.820 -0.288 0.000 2.594 409 A HA 0.578 4.897 4.320 -0.003 0.000 0.296 409 A C -1.934 175.542 177.584 -0.180 0.000 1.061 409 A CA -0.678 51.112 52.037 -0.412 0.000 0.689 409 A CB 1.126 19.380 19.000 -1.243 0.000 1.280 409 A HN 0.049 nan 8.150 nan 0.000 0.406 410 L N 1.484 122.653 121.223 -0.090 0.000 2.408 410 L HA 0.908 5.246 4.340 -0.003 0.000 0.268 410 L C 0.131 177.026 176.870 0.042 0.000 0.986 410 L CA 0.530 55.364 54.840 -0.010 0.000 0.820 410 L CB 2.292 44.373 42.059 0.036 0.000 1.303 410 L HN 1.265 nan 8.230 nan 0.000 0.411 411 T N -0.538 114.060 114.554 0.074 0.000 2.742 411 T HA 0.406 4.754 4.350 -0.003 0.000 0.282 411 T C 0.913 175.662 174.700 0.083 0.000 1.025 411 T CA 0.067 62.224 62.100 0.095 0.000 1.020 411 T CB 1.032 69.990 68.868 0.150 0.000 1.317 411 T HN 0.674 nan 8.240 nan 0.000 0.538 412 S N -0.386 115.363 115.700 0.082 0.000 2.423 412 S HA -0.090 4.378 4.470 -0.003 0.000 0.231 412 S C 1.212 175.817 174.600 0.009 0.000 1.014 412 S CA 1.151 59.388 58.200 0.062 0.000 0.965 412 S CB -0.673 62.565 63.200 0.062 0.000 0.785 412 S HN 0.674 nan 8.310 nan 0.000 0.495 413 D N 0.269 120.682 120.400 0.021 0.000 2.106 413 D HA 0.224 4.862 4.640 -0.003 0.000 0.203 413 D C -0.109 176.015 176.300 -0.293 0.000 0.977 413 D CA 1.036 54.986 54.000 -0.083 0.000 0.844 413 D CB 0.090 40.998 40.800 0.180 0.000 1.002 413 D HN 0.452 nan 8.370 nan 0.000 0.461 414 Y N -1.105 119.132 120.300 -0.105 0.000 2.634 414 Y HA 0.519 5.067 4.550 -0.003 0.000 0.340 414 Y C -0.536 175.182 175.900 -0.304 0.000 1.058 414 Y CA -1.034 56.913 58.100 -0.254 0.000 1.081 414 Y CB 1.887 40.066 38.460 -0.468 0.000 1.295 414 Y HN -0.269 nan 8.280 nan 0.000 0.487 415 L N 1.578 122.679 121.223 -0.204 0.000 2.376 415 L HA 0.572 4.910 4.340 -0.003 0.000 0.275 415 L C -1.912 174.820 176.870 -0.230 0.000 0.987 415 L CA -0.625 54.080 54.840 -0.226 0.000 0.828 415 L CB 0.928 42.770 42.059 -0.362 0.000 1.249 415 L HN 0.600 nan 8.230 nan 0.000 0.409 416 Y N 4.837 125.065 120.300 -0.120 0.000 2.320 416 Y HA 0.527 5.075 4.550 -0.003 0.000 0.334 416 Y C -0.327 175.573 175.900 -0.000 0.000 1.055 416 Y CA -0.197 57.830 58.100 -0.123 0.000 1.143 416 Y CB 1.194 39.490 38.460 -0.273 0.000 1.193 416 Y HN 0.529 nan 8.280 nan 0.000 0.477 417 Y N -0.043 120.308 120.300 0.086 0.000 2.655 417 Y HA 0.813 5.361 4.550 -0.003 0.000 0.336 417 Y C -1.792 174.186 175.900 0.130 0.000 1.154 417 Y CA -2.000 56.148 58.100 0.080 0.000 1.055 417 Y CB 1.104 39.594 38.460 0.051 0.000 1.295 417 Y HN 0.401 nan 8.280 nan 0.000 0.465 418 I N 2.579 123.302 120.570 0.256 0.000 2.493 418 I HA 0.696 4.864 4.170 -0.003 0.000 0.298 418 I C -0.480 175.817 176.117 0.299 0.000 0.998 418 I CA -0.506 60.892 61.300 0.163 0.000 1.137 418 I CB 2.139 40.190 38.000 0.084 0.000 1.310 418 I HN 0.892 nan 8.210 nan 0.000 0.445 419 S N 2.610 118.446 115.700 0.227 0.000 2.625 419 S HA 0.387 4.855 4.470 -0.003 0.000 0.271 419 S C -0.678 173.970 174.600 0.079 0.000 1.161 419 S CA -0.909 57.418 58.200 0.210 0.000 0.820 419 S CB 1.585 64.933 63.200 0.247 0.000 1.137 419 S HN 0.636 nan 8.310 nan 0.000 0.470 420 N N -0.346 118.402 118.700 0.081 0.000 2.320 420 N HA 0.161 4.899 4.740 -0.003 0.000 0.237 420 N C 0.619 176.102 175.510 -0.045 0.000 1.129 420 N CA -0.281 52.774 53.050 0.008 0.000 0.854 420 N CB 0.211 38.693 38.487 -0.008 0.000 1.083 420 N HN 0.787 nan 8.380 nan 0.000 0.504 421 E N -0.160 119.858 120.200 -0.304 0.000 2.110 421 E HA -0.212 4.137 4.350 -0.003 0.000 0.193 421 E C -0.357 176.082 176.600 -0.269 0.000 0.988 421 E CA 0.438 56.397 56.400 -0.735 0.000 0.804 421 E CB -0.044 28.577 29.700 -1.799 0.000 0.745 421 E HN 0.421 nan 8.360 nan 0.000 0.458 422 Y N 1.508 121.708 120.300 -0.167 0.000 2.810 422 Y HA -0.117 4.431 4.550 -0.003 0.000 0.332 422 Y C 0.618 176.481 175.900 -0.061 0.000 1.243 422 Y CA 0.703 58.762 58.100 -0.068 0.000 1.537 422 Y CB 0.228 38.681 38.460 -0.012 0.000 1.265 422 Y HN 0.019 nan 8.280 nan 0.000 0.572 423 K N 3.262 123.342 120.400 -0.534 0.000 3.274 423 K HA -0.233 4.086 4.320 -0.003 0.000 0.305 423 K C 0.764 177.278 176.600 -0.144 0.000 1.225 423 K CA 1.271 57.312 56.287 -0.411 0.000 0.904 423 K CB -1.568 30.667 32.500 -0.442 0.000 1.227 423 K HN 1.307 nan 8.250 nan 0.000 0.453 424 G N 0.105 108.843 108.800 -0.103 0.000 2.225 424 G HA2 -0.342 3.617 3.960 -0.003 0.000 0.267 424 G HA3 -0.342 3.617 3.960 -0.003 0.000 0.267 424 G C -0.013 174.863 174.900 -0.040 0.000 1.024 424 G CA 0.788 45.876 45.100 -0.020 0.000 0.784 424 G HN 0.398 nan 8.290 nan 0.000 0.507 425 M N -0.686 118.825 119.600 -0.148 0.000 2.066 425 M HA 0.394 4.872 4.480 -0.003 0.000 0.340 425 M C -1.326 174.724 176.300 -0.416 0.000 1.053 425 M CA -2.264 52.777 55.300 -0.433 0.000 0.983 425 M CB 1.856 34.221 32.600 -0.393 0.000 1.520 425 M HN -0.089 nan 8.290 nan 0.000 0.428 426 P HA -0.085 nan 4.420 nan 0.000 0.225 426 P C 1.079 178.237 177.300 -0.236 0.000 1.148 426 P CA 1.431 64.355 63.100 -0.292 0.000 0.779 426 P CB 0.050 31.606 31.700 -0.240 0.000 0.780 427 G N -0.632 107.968 108.800 -0.333 0.000 3.141 427 G HA2 0.293 4.251 3.960 -0.003 0.000 0.218 427 G HA3 0.293 4.251 3.960 -0.003 0.000 0.218 427 G C 0.662 175.570 174.900 0.014 0.000 1.170 427 G CA 0.068 45.103 45.100 -0.109 0.000 0.769 427 G HN 0.430 nan 8.290 nan 0.000 0.546 428 G N -0.062 108.685 108.800 -0.087 0.000 2.417 428 G HA2 0.635 4.593 3.960 -0.003 0.000 0.334 428 G HA3 0.635 4.593 3.960 -0.003 0.000 0.334 428 G C -0.754 174.039 174.900 -0.179 0.000 1.150 428 G CA -0.756 44.324 45.100 -0.033 0.000 0.923 428 G HN 0.093 nan 8.290 nan 0.000 0.485 429 R N 1.397 121.743 120.500 -0.257 0.000 2.538 429 R HA 0.414 4.753 4.340 -0.003 0.000 0.292 429 R C -1.241 175.024 176.300 -0.058 0.000 1.008 429 R CA -0.795 55.124 56.100 -0.301 0.000 0.896 429 R CB 2.172 32.039 30.300 -0.722 0.000 1.187 429 R HN 0.587 nan 8.270 nan 0.000 0.440 430 N N 1.646 120.332 118.700 -0.023 0.000 2.357 430 N HA 0.339 5.077 4.740 -0.003 0.000 0.284 430 N C -1.322 174.069 175.510 -0.199 0.000 1.236 430 N CA -0.833 52.127 53.050 -0.150 0.000 0.774 430 N CB 2.698 41.002 38.487 -0.304 0.000 1.534 430 N HN 0.253 nan 8.380 nan 0.000 0.478 431 L N 2.079 123.030 121.223 -0.452 0.000 2.276 431 L HA 0.486 4.824 4.340 -0.003 0.000 0.286 431 L C -1.445 175.045 176.870 -0.633 0.000 1.061 431 L CA 0.003 54.596 54.840 -0.412 0.000 0.807 431 L CB -0.129 41.669 42.059 -0.435 0.000 1.177 431 L HN 0.403 nan 8.230 nan 0.000 0.429 432 Y N 3.435 123.361 120.300 -0.624 0.000 2.602 432 Y HA 0.651 5.199 4.550 -0.003 0.000 0.342 432 Y C -0.439 175.082 175.900 -0.632 0.000 1.029 432 Y CA -0.890 56.800 58.100 -0.685 0.000 1.080 432 Y CB 1.696 39.575 38.460 -0.968 0.000 1.284 432 Y HN 0.570 nan 8.280 nan 0.000 0.485 433 K N 1.706 121.931 120.400 -0.293 0.000 2.427 433 K HA 0.761 5.079 4.320 -0.003 0.000 0.252 433 K C -1.933 174.644 176.600 -0.039 0.000 0.931 433 K CA -0.715 55.348 56.287 -0.373 0.000 0.793 433 K CB 2.686 34.728 32.500 -0.763 0.000 1.211 433 K HN 0.751 nan 8.250 nan 0.000 0.426 434 I N 1.924 122.541 120.570 0.078 0.000 2.433 434 I HA 0.178 4.347 4.170 -0.003 0.000 0.292 434 I C -0.740 175.443 176.117 0.111 0.000 1.001 434 I CA -0.767 60.633 61.300 0.166 0.000 1.119 434 I CB 2.045 40.155 38.000 0.183 0.000 1.289 434 I HN 0.841 nan 8.210 nan 0.000 0.438 435 Q N 5.266 125.084 119.800 0.029 0.000 2.286 435 Q HA 0.102 4.440 4.340 -0.003 0.000 0.267 435 Q C 0.215 176.113 176.000 -0.169 0.000 1.028 435 Q CA -0.451 55.135 55.803 -0.362 0.000 0.901 435 Q CB 1.158 29.719 28.738 -0.295 0.000 1.183 435 Q HN 0.750 nan 8.270 nan 0.000 0.392 436 L N 3.043 124.120 121.223 -0.244 0.000 2.265 436 L HA -0.161 4.177 4.340 -0.003 0.000 0.215 436 L C 2.180 178.959 176.870 -0.152 0.000 1.117 436 L CA 1.734 56.520 54.840 -0.091 0.000 0.782 436 L CB -0.670 41.306 42.059 -0.138 0.000 0.914 436 L HN 0.738 nan 8.230 nan 0.000 0.441 437 S N -2.839 112.724 115.700 -0.229 0.000 2.501 437 S HA 0.038 4.506 4.470 -0.003 0.000 0.220 437 S C 0.646 175.061 174.600 -0.308 0.000 0.997 437 S CA 0.136 58.189 58.200 -0.245 0.000 0.919 437 S CB 0.148 63.235 63.200 -0.188 0.000 0.778 437 S HN 0.364 nan 8.310 nan 0.000 0.523 438 D N -0.018 120.214 120.400 -0.280 0.000 2.337 438 D HA 0.226 4.864 4.640 -0.003 0.000 0.238 438 D C -0.492 175.768 176.300 -0.066 0.000 1.331 438 D CA -0.612 53.249 54.000 -0.231 0.000 0.967 438 D CB 0.137 40.858 40.800 -0.132 0.000 1.382 438 D HN -0.008 nan 8.370 nan 0.000 0.549 439 Y N 1.091 121.363 120.300 -0.046 0.000 2.651 439 Y HA -0.092 4.456 4.550 -0.003 0.000 0.293 439 Y C 2.281 178.184 175.900 0.005 0.000 1.151 439 Y CA 0.803 58.890 58.100 -0.021 0.000 1.362 439 Y CB -0.898 37.553 38.460 -0.015 0.000 0.973 439 Y HN 0.297 nan 8.280 nan 0.000 0.561 440 T N -0.507 114.121 114.554 0.124 0.000 3.023 440 T HA -0.041 4.308 4.350 -0.003 0.000 0.266 440 T C 0.844 175.592 174.700 0.080 0.000 1.093 440 T CA 0.608 62.758 62.100 0.084 0.000 1.129 440 T CB -0.031 68.860 68.868 0.038 0.000 0.899 440 T HN 0.082 nan 8.240 nan 0.000 0.491 441 K N 2.868 123.314 120.400 0.078 0.000 2.184 441 K HA 0.415 4.733 4.320 -0.003 0.000 0.259 441 K C -1.013 175.661 176.600 0.123 0.000 1.119 441 K CA -0.100 56.237 56.287 0.084 0.000 0.991 441 K CB 0.792 33.330 32.500 0.063 0.000 1.522 441 K HN 0.074 nan 8.250 nan 0.000 0.405 442 V N 2.398 122.385 119.914 0.123 0.000 2.384 442 V HA 0.289 4.407 4.120 -0.003 0.000 0.287 442 V C -0.017 176.143 176.094 0.110 0.000 1.020 442 V CA -0.606 61.783 62.300 0.148 0.000 0.850 442 V CB 1.812 33.741 31.823 0.177 0.000 0.987 442 V HN 0.540 nan 8.190 nan 0.000 0.436 443 T N 3.485 118.076 114.554 0.062 0.000 2.807 443 T HA 0.273 4.622 4.350 -0.003 0.000 0.279 443 T C -0.425 174.182 174.700 -0.155 0.000 0.993 443 T CA -0.305 61.775 62.100 -0.033 0.000 0.970 443 T CB 1.377 70.196 68.868 -0.080 0.000 0.950 443 T HN 0.759 nan 8.240 nan 0.000 0.441 444 C N 5.073 124.201 119.300 -0.287 0.000 2.394 444 C HA 0.455 4.913 4.460 -0.003 0.000 0.362 444 C C 1.602 176.247 174.990 -0.576 0.000 1.268 444 C CA -0.595 57.962 59.018 -0.769 0.000 1.828 444 C CB -1.789 25.397 27.740 -0.923 0.000 2.442 444 C HN 0.993 nan 8.230 nan 0.000 0.549 445 L N 4.672 125.531 121.223 -0.607 0.000 2.477 445 L HA 0.093 4.431 4.340 -0.003 0.000 0.220 445 L C 2.200 178.760 176.870 -0.516 0.000 1.106 445 L CA 0.901 55.473 54.840 -0.447 0.000 0.851 445 L CB -0.250 41.582 42.059 -0.378 0.000 0.994 445 L HN 0.875 nan 8.230 nan 0.000 0.462 446 S N -2.838 112.436 115.700 -0.710 0.000 2.554 446 S HA -0.020 4.448 4.470 -0.003 0.000 0.227 446 S C 1.892 176.107 174.600 -0.641 0.000 1.050 446 S CA -0.037 57.652 58.200 -0.851 0.000 0.927 446 S CB -0.359 61.912 63.200 -1.547 0.000 0.859 446 S HN 0.309 nan 8.310 nan 0.000 0.494 447 C N 2.080 120.969 119.300 -0.684 0.000 2.375 447 C HA -0.051 4.408 4.460 -0.003 0.000 0.274 447 C C 2.573 177.284 174.990 -0.466 0.000 1.190 447 C CA 1.605 60.162 59.018 -0.768 0.000 1.775 447 C CB -1.145 25.876 27.740 -1.199 0.000 2.067 447 C HN 0.615 nan 8.230 nan 0.000 0.463 448 E N -0.088 119.915 120.200 -0.328 0.000 2.474 448 E HA 0.167 4.515 4.350 -0.003 0.000 0.195 448 E C 1.928 178.481 176.600 -0.079 0.000 1.039 448 E CA -0.021 56.287 56.400 -0.154 0.000 0.881 448 E CB -0.238 29.384 29.700 -0.129 0.000 0.970 448 E HN 0.559 nan 8.360 nan 0.000 0.486 449 L N 0.213 121.387 121.223 -0.080 0.000 2.013 449 L HA -0.125 4.213 4.340 -0.003 0.000 0.212 449 L C 0.949 177.832 176.870 0.022 0.000 1.073 449 L CA 1.044 55.878 54.840 -0.011 0.000 0.753 449 L CB -0.111 41.968 42.059 0.033 0.000 0.890 449 L HN 0.121 nan 8.230 nan 0.000 0.432 450 N N -1.453 117.275 118.700 0.047 0.000 2.976 450 N HA 0.086 4.824 4.740 -0.003 0.000 0.220 450 N C -2.135 173.402 175.510 0.046 0.000 1.428 450 N CA -0.872 52.198 53.050 0.034 0.000 0.748 450 N CB 0.934 39.433 38.487 0.020 0.000 1.484 450 N HN -0.173 nan 8.380 nan 0.000 0.578 451 P HA -0.129 nan 4.420 nan 0.000 0.219 451 P C 0.938 178.284 177.300 0.077 0.000 1.146 451 P CA 1.003 64.160 63.100 0.095 0.000 0.808 451 P CB 0.807 32.581 31.700 0.125 0.000 0.779 452 E N -0.136 120.089 120.200 0.041 0.000 2.051 452 E HA -0.119 4.229 4.350 -0.003 0.000 0.189 452 E C 2.289 178.889 176.600 0.000 0.000 0.979 452 E CA 0.776 57.190 56.400 0.023 0.000 0.803 452 E CB -0.077 29.630 29.700 0.010 0.000 0.761 452 E HN 0.191 nan 8.360 nan 0.000 0.451 453 R N -0.675 119.812 120.500 -0.022 0.000 2.189 453 R HA 0.070 4.408 4.340 -0.003 0.000 0.203 453 R C 0.008 176.251 176.300 -0.095 0.000 1.012 453 R CA 0.405 56.468 56.100 -0.063 0.000 1.015 453 R CB 0.418 30.669 30.300 -0.082 0.000 0.938 453 R HN 0.035 nan 8.270 nan 0.000 0.472 454 c N 1.024 119.574 118.600 -0.083 0.000 2.316 454 c HA 0.415 4.983 4.570 -0.003 0.000 0.324 454 c C 0.047 174.086 174.090 -0.086 0.000 1.226 454 c CA -0.675 55.534 56.329 -0.199 0.000 1.450 454 c CB 1.330 43.648 42.510 -0.319 0.000 2.123 454 c HN 0.503 nan 8.230 nan 0.000 0.454 455 Q N 0.505 120.262 119.800 -0.072 0.000 2.103 455 Q HA 0.205 4.544 4.340 -0.003 0.000 0.219 455 Q C -0.979 175.080 176.000 0.098 0.000 0.784 455 Q CA 0.075 55.926 55.803 0.080 0.000 1.014 455 Q CB 1.320 30.126 28.738 0.114 0.000 1.183 455 Q HN 0.793 nan 8.270 nan 0.000 0.469 456 Y N 0.354 120.542 120.300 -0.187 0.000 2.317 456 Y HA 0.375 4.924 4.550 -0.003 0.000 0.325 456 Y C -1.718 174.045 175.900 -0.229 0.000 1.066 456 Y CA -1.100 56.929 58.100 -0.118 0.000 1.203 456 Y CB 0.811 39.206 38.460 -0.107 0.000 1.127 456 Y HN -0.081 nan 8.280 nan 0.000 0.451 457 Y N 2.286 122.531 120.300 -0.092 0.000 2.549 457 Y HA 0.702 5.250 4.550 -0.003 0.000 0.339 457 Y C 0.187 176.054 175.900 -0.056 0.000 1.053 457 Y CA -0.664 57.401 58.100 -0.058 0.000 1.105 457 Y CB 2.332 40.720 38.460 -0.121 0.000 1.258 457 Y HN 0.519 nan 8.280 nan 0.000 0.478 458 S N 0.461 116.274 115.700 0.188 0.000 2.667 458 S HA 0.875 5.343 4.470 -0.003 0.000 0.292 458 S C -1.563 173.117 174.600 0.134 0.000 1.126 458 S CA -0.785 57.501 58.200 0.143 0.000 0.881 458 S CB 1.891 65.190 63.200 0.164 0.000 1.132 458 S HN 0.606 nan 8.310 nan 0.000 0.492 459 V N 0.271 120.258 119.914 0.121 0.000 3.007 459 V HA 0.867 4.986 4.120 -0.003 0.000 0.311 459 V C -1.231 174.952 176.094 0.149 0.000 1.120 459 V CA -0.290 62.054 62.300 0.073 0.000 0.980 459 V CB 2.343 34.133 31.823 -0.056 0.000 1.033 459 V HN 1.185 nan 8.190 nan 0.000 0.429 460 S N 4.681 120.464 115.700 0.139 0.000 2.789 460 S HA 0.651 5.119 4.470 -0.003 0.000 0.286 460 S C -1.206 173.601 174.600 0.345 0.000 1.153 460 S CA -0.393 57.996 58.200 0.316 0.000 1.084 460 S CB 0.341 63.760 63.200 0.365 0.000 1.036 460 S HN 0.485 nan 8.310 nan 0.000 0.484 461 F N 2.990 123.030 119.950 0.151 0.000 2.371 461 F HA 0.465 4.990 4.527 -0.003 0.000 0.329 461 F C 1.485 176.908 175.800 -0.627 0.000 1.107 461 F CA -0.276 57.653 58.000 -0.118 0.000 1.137 461 F CB 1.271 40.151 39.000 -0.201 0.000 1.214 461 F HN 0.628 nan 8.300 nan 0.000 0.536 462 S N 1.674 116.792 115.700 -0.969 0.000 2.626 462 S HA 0.154 4.622 4.470 -0.003 0.000 0.257 462 S C 1.212 175.534 174.600 -0.464 0.000 1.288 462 S CA -0.814 56.499 58.200 -1.478 0.000 0.980 462 S CB 0.641 63.084 63.200 -1.263 0.000 0.975 462 S HN 0.530 nan 8.310 nan 0.000 0.577 463 K N 0.904 121.162 120.400 -0.237 0.000 2.059 463 K HA -0.119 4.199 4.320 -0.003 0.000 0.212 463 K C 0.988 177.557 176.600 -0.052 0.000 1.050 463 K CA 1.591 57.849 56.287 -0.049 0.000 0.927 463 K CB -0.417 32.104 32.500 0.035 0.000 0.714 463 K HN 0.665 nan 8.250 nan 0.000 0.447 464 E N -0.960 119.182 120.200 -0.097 0.000 2.558 464 E HA 0.233 4.581 4.350 -0.003 0.000 0.205 464 E C 0.034 176.568 176.600 -0.109 0.000 1.006 464 E CA 0.106 56.464 56.400 -0.071 0.000 0.961 464 E CB 0.631 30.301 29.700 -0.050 0.000 1.044 464 E HN 0.238 nan 8.360 nan 0.000 0.465 465 A N 1.348 124.086 122.820 -0.137 0.000 2.872 465 A HA -0.320 3.999 4.320 -0.003 0.000 0.273 465 A C 1.477 179.003 177.584 -0.098 0.000 1.442 465 A CA 1.635 53.620 52.037 -0.087 0.000 0.801 465 A CB -2.148 16.689 19.000 -0.270 0.000 1.031 465 A HN 0.271 nan 8.150 nan 0.000 0.582 466 K N -1.740 118.523 120.400 -0.227 0.000 2.155 466 K HA 0.126 4.444 4.320 -0.003 0.000 0.203 466 K C 0.206 176.439 176.600 -0.613 0.000 1.052 466 K CA 1.463 57.500 56.287 -0.418 0.000 0.948 466 K CB -0.006 32.165 32.500 -0.548 0.000 0.728 466 K HN 0.683 nan 8.250 nan 0.000 0.448 467 Y N -1.079 119.111 120.300 -0.183 0.000 2.605 467 Y HA 0.343 4.891 4.550 -0.003 0.000 0.343 467 Y C -1.021 174.803 175.900 -0.127 0.000 1.036 467 Y CA -1.321 56.686 58.100 -0.155 0.000 1.065 467 Y CB 1.704 40.105 38.460 -0.099 0.000 1.288 467 Y HN -0.041 nan 8.280 nan 0.000 0.481 468 Y N -1.052 119.241 120.300 -0.012 0.000 2.513 468 Y HA 0.502 5.051 4.550 -0.003 0.000 0.340 468 Y C -1.233 174.687 175.900 0.035 0.000 1.055 468 Y CA -1.444 56.500 58.100 -0.260 0.000 1.020 468 Y CB 1.467 39.234 38.460 -1.154 0.000 1.301 468 Y HN 0.591 nan 8.280 nan 0.000 0.453 469 Q N 4.150 124.097 119.800 0.245 0.000 2.290 469 Q HA 0.549 4.887 4.340 -0.003 0.000 0.259 469 Q C -1.798 174.305 176.000 0.172 0.000 0.941 469 Q CA -0.634 55.274 55.803 0.176 0.000 0.912 469 Q CB 1.270 30.069 28.738 0.101 0.000 1.244 469 Q HN 0.974 nan 8.270 nan 0.000 0.441 470 L N 4.431 125.771 121.223 0.194 0.000 2.325 470 L HA 0.542 4.881 4.340 -0.003 0.000 0.279 470 L C -0.281 176.691 176.870 0.169 0.000 1.054 470 L CA -0.652 54.286 54.840 0.163 0.000 0.804 470 L CB 1.321 43.447 42.059 0.112 0.000 1.200 470 L HN 0.642 nan 8.230 nan 0.000 0.436 471 R N 2.560 123.147 120.500 0.145 0.000 2.371 471 R HA 0.339 4.678 4.340 -0.003 0.000 0.312 471 R C -1.030 175.173 176.300 -0.161 0.000 0.980 471 R CA -0.573 55.464 56.100 -0.105 0.000 0.867 471 R CB 1.482 31.795 30.300 0.022 0.000 1.163 471 R HN 0.564 nan 8.270 nan 0.000 0.492 472 c N 2.814 121.170 118.600 -0.407 0.000 2.369 472 c HA 0.394 4.962 4.570 -0.003 0.000 0.358 472 c C 1.459 175.306 174.090 -0.404 0.000 1.274 472 c CA -0.235 55.722 56.329 -0.621 0.000 1.935 472 c CB 0.304 42.390 42.510 -0.707 0.000 2.431 472 c HN 0.988 nan 8.230 nan 0.000 0.545 473 S N 3.657 119.211 115.700 -0.244 0.000 2.650 473 S HA 0.618 5.086 4.470 -0.003 0.000 0.240 473 S C 0.364 174.901 174.600 -0.105 0.000 1.007 473 S CA 0.240 58.354 58.200 -0.144 0.000 0.984 473 S CB -0.039 63.113 63.200 -0.080 0.000 0.910 473 S HN 2.014 nan 8.310 nan 0.000 0.509 474 G N 1.848 110.572 108.800 -0.128 0.000 2.336 474 G HA2 0.363 4.322 3.960 -0.003 0.000 0.300 474 G HA3 0.363 4.322 3.960 -0.003 0.000 0.300 474 G C -3.045 171.818 174.900 -0.062 0.000 1.375 474 G CA -0.464 44.603 45.100 -0.055 0.000 0.885 474 G HN -0.120 nan 8.290 nan 0.000 0.599 475 P HA 0.141 nan 4.420 nan 0.000 0.233 475 P C 1.227 178.537 177.300 0.016 0.000 1.167 475 P CA 1.359 64.476 63.100 0.027 0.000 0.770 475 P CB 0.409 32.129 31.700 0.034 0.000 0.837 476 G N 0.241 108.980 108.800 -0.102 0.000 2.532 476 G HA2 0.454 4.412 3.960 -0.003 0.000 0.291 476 G HA3 0.454 4.412 3.960 -0.003 0.000 0.291 476 G C -0.293 174.348 174.900 -0.431 0.000 1.349 476 G CA -0.799 44.157 45.100 -0.240 0.000 1.038 476 G HN 0.023 nan 8.290 nan 0.000 0.518 477 L N 1.007 121.894 121.223 -0.560 0.000 2.483 477 L HA 0.151 4.489 4.340 -0.003 0.000 0.276 477 L C -1.894 174.800 176.870 -0.293 0.000 1.213 477 L CA -1.223 53.284 54.840 -0.554 0.000 0.843 477 L CB 0.386 42.194 42.059 -0.419 0.000 1.107 477 L HN 0.229 nan 8.230 nan 0.000 0.487 478 P HA 0.021 nan 4.420 nan 0.000 0.265 478 P C -0.922 176.247 177.300 -0.217 0.000 1.187 478 P CA 0.062 63.038 63.100 -0.208 0.000 0.766 478 P CB 0.532 32.194 31.700 -0.064 0.000 0.820 479 L N 4.795 125.791 121.223 -0.378 0.000 2.439 479 L HA 0.457 4.796 4.340 -0.003 0.000 0.270 479 L C -1.854 174.789 176.870 -0.378 0.000 0.972 479 L CA -0.633 54.056 54.840 -0.251 0.000 0.836 479 L CB 0.906 42.865 42.059 -0.168 0.000 1.255 479 L HN 0.220 nan 8.230 nan 0.000 0.404 480 Y N 2.987 123.246 120.300 -0.068 0.000 2.331 480 Y HA 0.747 5.295 4.550 -0.003 0.000 0.338 480 Y C 0.593 176.396 175.900 -0.162 0.000 0.976 480 Y CA -0.400 57.644 58.100 -0.093 0.000 1.137 480 Y CB 1.997 40.375 38.460 -0.136 0.000 1.172 480 Y HN 0.686 nan 8.280 nan 0.000 0.478 481 T N 0.798 115.371 114.554 0.031 0.000 2.901 481 T HA 0.721 5.070 4.350 -0.003 0.000 0.293 481 T C -1.526 173.120 174.700 -0.090 0.000 1.084 481 T CA -0.922 61.132 62.100 -0.077 0.000 1.008 481 T CB 2.026 70.881 68.868 -0.022 0.000 1.170 481 T HN 0.390 nan 8.240 nan 0.000 0.509 482 L N 1.506 122.550 121.223 -0.298 0.000 2.346 482 L HA 0.734 5.073 4.340 -0.003 0.000 0.276 482 L C -1.371 175.194 176.870 -0.509 0.000 1.006 482 L CA -0.272 54.429 54.840 -0.232 0.000 0.817 482 L CB 1.367 43.317 42.059 -0.182 0.000 1.272 482 L HN 0.900 nan 8.230 nan 0.000 0.421 483 H N 0.612 119.451 119.070 -0.384 0.000 2.865 483 H HA 0.732 5.286 4.556 -0.003 0.000 0.372 483 H C -0.764 174.315 175.328 -0.415 0.000 1.173 483 H CA -0.797 54.914 56.048 -0.561 0.000 1.147 483 H CB 1.855 30.896 29.762 -1.201 0.000 1.805 483 H HN 0.530 nan 8.280 nan 0.000 0.553 484 S N -0.023 115.586 115.700 -0.151 0.000 2.437 484 S HA 0.264 4.732 4.470 -0.003 0.000 0.305 484 S C 0.382 174.901 174.600 -0.134 0.000 1.109 484 S CA -0.787 57.315 58.200 -0.164 0.000 1.099 484 S CB 1.642 64.784 63.200 -0.096 0.000 1.004 484 S HN 0.565 nan 8.310 nan 0.000 0.475 485 S N 2.182 117.819 115.700 -0.105 0.000 2.423 485 S HA -0.083 4.386 4.470 -0.003 0.000 0.231 485 S C 1.884 176.498 174.600 0.024 0.000 1.014 485 S CA 0.693 58.948 58.200 0.092 0.000 0.965 485 S CB -0.427 62.825 63.200 0.087 0.000 0.785 485 S HN 0.596 nan 8.310 nan 0.000 0.495 486 V N 2.697 122.577 119.914 -0.056 0.000 2.220 486 V HA -0.269 3.850 4.120 -0.003 0.000 0.250 486 V C 1.471 177.562 176.094 -0.005 0.000 1.056 486 V CA 1.980 64.262 62.300 -0.030 0.000 1.016 486 V CB -0.395 31.397 31.823 -0.050 0.000 0.639 486 V HN 0.590 nan 8.190 nan 0.000 0.446 487 N N -1.595 117.101 118.700 -0.007 0.000 2.170 487 N HA 0.077 4.815 4.740 -0.003 0.000 0.222 487 N C -0.616 174.899 175.510 0.008 0.000 1.218 487 N CA 0.184 53.235 53.050 0.001 0.000 0.889 487 N CB 0.654 39.142 38.487 0.002 0.000 1.083 487 N HN 0.382 nan 8.380 nan 0.000 0.520 488 D N 1.690 122.108 120.400 0.031 0.000 2.746 488 D HA -0.136 4.502 4.640 -0.003 0.000 0.236 488 D C -0.418 175.914 176.300 0.054 0.000 1.129 488 D CA 1.109 55.155 54.000 0.076 0.000 0.691 488 D CB -0.667 40.176 40.800 0.071 0.000 1.077 488 D HN 0.364 nan 8.370 nan 0.000 0.432 489 K N 0.145 120.552 120.400 0.011 0.000 2.237 489 K HA 0.380 4.698 4.320 -0.003 0.000 0.270 489 K C 1.068 177.640 176.600 -0.047 0.000 1.015 489 K CA -0.154 56.128 56.287 -0.008 0.000 0.949 489 K CB 1.011 33.496 32.500 -0.024 0.000 0.976 489 K HN 0.131 nan 8.250 nan 0.000 0.472 490 G N 3.237 111.983 108.800 -0.091 0.000 2.546 490 G HA2 0.204 4.162 3.960 -0.003 0.000 0.320 490 G HA3 0.204 4.162 3.960 -0.003 0.000 0.320 490 G C 1.144 175.856 174.900 -0.314 0.000 0.984 490 G CA -0.453 44.425 45.100 -0.371 0.000 1.183 490 G HN 0.536 nan 8.290 nan 0.000 0.443 491 L N 1.294 122.333 121.223 -0.306 0.000 1.971 491 L HA -0.014 4.324 4.340 -0.003 0.000 0.215 491 L C 1.804 178.570 176.870 -0.174 0.000 1.072 491 L CA 1.509 56.244 54.840 -0.174 0.000 0.758 491 L CB -0.424 41.562 42.059 -0.121 0.000 0.889 491 L HN 0.726 nan 8.230 nan 0.000 0.433 492 R N -2.546 117.811 120.500 -0.238 0.000 2.741 492 R HA 0.442 4.780 4.340 -0.003 0.000 0.276 492 R C -1.559 174.609 176.300 -0.220 0.000 1.028 492 R CA -0.979 55.009 56.100 -0.186 0.000 0.865 492 R CB 1.330 31.550 30.300 -0.132 0.000 1.268 492 R HN -0.270 nan 8.270 nan 0.000 0.475 493 V N 2.927 122.739 119.914 -0.171 0.000 2.408 493 V HA 0.155 4.273 4.120 -0.003 0.000 0.267 493 V C 1.377 177.330 176.094 -0.234 0.000 1.047 493 V CA -0.335 61.864 62.300 -0.168 0.000 0.937 493 V CB 0.885 32.643 31.823 -0.108 0.000 0.999 493 V HN 0.625 nan 8.190 nan 0.000 0.472 494 L N 2.595 123.608 121.223 -0.350 0.000 2.127 494 L HA 0.230 4.569 4.340 -0.003 0.000 0.203 494 L C 0.831 177.431 176.870 -0.450 0.000 1.080 494 L CA 0.876 55.312 54.840 -0.673 0.000 0.768 494 L CB 0.163 41.450 42.059 -1.286 0.000 0.924 494 L HN 0.689 nan 8.230 nan 0.000 0.444 495 E N -0.067 120.021 120.200 -0.186 0.000 2.343 495 E HA 0.105 4.453 4.350 -0.003 0.000 0.286 495 E C -1.285 175.370 176.600 0.092 0.000 0.915 495 E CA -0.433 55.973 56.400 0.010 0.000 0.784 495 E CB 1.186 30.942 29.700 0.094 0.000 1.251 495 E HN 0.170 nan 8.360 nan 0.000 0.407 496 D N 3.089 123.516 120.400 0.045 0.000 2.479 496 D HA 0.161 4.799 4.640 -0.003 0.000 0.218 496 D C -0.298 176.010 176.300 0.014 0.000 1.177 496 D CA -0.296 53.716 54.000 0.019 0.000 0.830 496 D CB -0.114 40.675 40.800 -0.019 0.000 1.014 496 D HN 0.473 nan 8.370 nan 0.000 0.503 497 N N 0.525 119.254 118.700 0.049 0.000 2.693 497 N HA -0.232 4.507 4.740 -0.003 0.000 0.249 497 N C 0.937 176.451 175.510 0.007 0.000 1.119 497 N CA 0.951 54.022 53.050 0.035 0.000 0.717 497 N CB -1.231 37.266 38.487 0.017 0.000 1.071 497 N HN 0.492 nan 8.380 nan 0.000 0.555 498 S N -1.073 114.631 115.700 0.007 0.000 2.419 498 S HA -0.076 4.392 4.470 -0.003 0.000 0.235 498 S C 2.067 176.676 174.600 0.016 0.000 1.019 498 S CA 0.995 59.195 58.200 0.000 0.000 0.982 498 S CB -0.107 63.094 63.200 0.001 0.000 0.789 498 S HN 0.521 nan 8.310 nan 0.000 0.490 499 A N 1.672 124.512 122.820 0.033 0.000 1.930 499 A HA 0.163 4.481 4.320 -0.003 0.000 0.217 499 A C 2.185 179.808 177.584 0.065 0.000 1.175 499 A CA 1.350 53.416 52.037 0.049 0.000 0.627 499 A CB -0.725 18.309 19.000 0.056 0.000 0.815 499 A HN 0.495 nan 8.150 nan 0.000 0.443 500 L N 0.409 121.673 121.223 0.068 0.000 2.056 500 L HA -0.101 4.237 4.340 -0.003 0.000 0.207 500 L C 1.892 178.790 176.870 0.046 0.000 1.078 500 L CA 2.721 57.618 54.840 0.094 0.000 0.749 500 L CB -0.770 41.347 42.059 0.096 0.000 0.901 500 L HN 0.508 nan 8.230 nan 0.000 0.433 501 D N -0.786 119.613 120.400 -0.002 0.000 2.116 501 D HA -0.251 4.387 4.640 -0.003 0.000 0.193 501 D C 2.026 178.324 176.300 -0.005 0.000 0.998 501 D CA 1.404 55.385 54.000 -0.032 0.000 0.836 501 D CB 0.102 40.873 40.800 -0.048 0.000 0.951 501 D HN 0.103 nan 8.370 nan 0.000 0.449 502 K N -0.213 120.198 120.400 0.018 0.000 2.057 502 K HA -0.107 4.212 4.320 -0.003 0.000 0.207 502 K C 2.273 178.901 176.600 0.047 0.000 1.049 502 K CA 0.849 57.153 56.287 0.029 0.000 0.931 502 K CB -0.483 32.038 32.500 0.035 0.000 0.714 502 K HN 0.381 nan 8.250 nan 0.000 0.440 503 M N 0.355 120.003 119.600 0.080 0.000 2.086 503 M HA -0.133 4.346 4.480 -0.003 0.000 0.261 503 M C 2.070 178.399 176.300 0.048 0.000 1.067 503 M CA 1.382 56.760 55.300 0.131 0.000 1.116 503 M CB -0.170 32.588 32.600 0.264 0.000 1.348 503 M HN 0.030 nan 8.290 nan 0.000 0.407 504 L N 0.078 121.285 121.223 -0.027 0.000 2.265 504 L HA -0.215 4.123 4.340 -0.003 0.000 0.215 504 L C 2.464 179.295 176.870 -0.065 0.000 1.117 504 L CA 1.009 55.774 54.840 -0.124 0.000 0.782 504 L CB -0.802 41.191 42.059 -0.110 0.000 0.914 504 L HN 0.495 nan 8.230 nan 0.000 0.441 505 Q N -1.002 118.785 119.800 -0.022 0.000 2.437 505 Q HA -0.140 4.199 4.340 -0.003 0.000 0.210 505 Q C 1.239 177.244 176.000 0.009 0.000 0.972 505 Q CA 0.894 56.693 55.803 -0.006 0.000 0.903 505 Q CB -0.291 28.448 28.738 0.001 0.000 0.967 505 Q HN 0.423 nan 8.270 nan 0.000 0.486 506 N N 0.953 119.661 118.700 0.014 0.000 2.270 506 N HA 0.090 4.828 4.740 -0.003 0.000 0.198 506 N C -0.787 174.744 175.510 0.035 0.000 1.117 506 N CA 0.161 53.233 53.050 0.036 0.000 0.845 506 N CB 1.346 39.870 38.487 0.060 0.000 0.980 506 N HN 0.208 nan 8.380 nan 0.000 0.486 507 V N 0.126 120.040 119.914 -0.001 0.000 2.876 507 V HA 0.332 4.451 4.120 -0.003 0.000 0.312 507 V C -1.001 175.088 176.094 -0.007 0.000 1.085 507 V CA -0.807 61.494 62.300 0.001 0.000 0.945 507 V CB 2.252 34.051 31.823 -0.040 0.000 1.017 507 V HN -0.042 nan 8.190 nan 0.000 0.428 508 Q N 5.947 125.747 119.800 -0.000 0.000 2.431 508 Q HA 0.343 4.682 4.340 -0.003 0.000 0.234 508 Q C -0.412 175.554 176.000 -0.057 0.000 1.203 508 Q CA -0.197 55.581 55.803 -0.040 0.000 0.902 508 Q CB 0.593 29.273 28.738 -0.097 0.000 1.455 508 Q HN 0.626 nan 8.270 nan 0.000 0.515 509 M N 3.761 123.327 119.600 -0.057 0.000 2.255 509 M HA 0.346 4.825 4.480 -0.003 0.000 0.336 509 M C -1.935 174.307 176.300 -0.097 0.000 1.135 509 M CA -2.453 52.798 55.300 -0.080 0.000 1.145 509 M CB -0.009 32.548 32.600 -0.072 0.000 1.473 509 M HN 0.324 nan 8.290 nan 0.000 0.462 510 P HA 0.247 nan 4.420 nan 0.000 0.276 510 P C -0.747 176.477 177.300 -0.126 0.000 1.261 510 P CA -0.321 62.689 63.100 -0.150 0.000 0.800 510 P CB 0.642 32.227 31.700 -0.193 0.000 1.066 511 S N -0.574 115.042 115.700 -0.141 0.000 2.767 511 S HA 0.635 5.104 4.470 -0.003 0.000 0.300 511 S C -0.498 174.011 174.600 -0.152 0.000 1.123 511 S CA -0.733 57.400 58.200 -0.112 0.000 0.992 511 S CB 1.507 64.650 63.200 -0.094 0.000 1.138 511 S HN 0.550 nan 8.310 nan 0.000 0.550 512 K N 0.381 120.713 120.400 -0.113 0.000 2.541 512 K HA 0.388 4.706 4.320 -0.003 0.000 0.250 512 K C -1.503 175.043 176.600 -0.090 0.000 0.950 512 K CA -0.461 55.758 56.287 -0.113 0.000 0.805 512 K CB 1.486 33.941 32.500 -0.076 0.000 1.166 512 K HN 0.713 nan 8.250 nan 0.000 0.430 513 K N 5.391 125.724 120.400 -0.112 0.000 2.185 513 K HA 0.379 4.698 4.320 -0.003 0.000 0.269 513 K C -1.357 175.202 176.600 -0.070 0.000 0.987 513 K CA -0.736 55.502 56.287 -0.082 0.000 0.865 513 K CB 1.053 33.493 32.500 -0.099 0.000 1.090 513 K HN 0.574 nan 8.250 nan 0.000 0.450 514 L N 4.356 125.555 121.223 -0.041 0.000 2.349 514 L HA 0.438 4.776 4.340 -0.003 0.000 0.278 514 L C -1.282 175.583 176.870 -0.009 0.000 0.996 514 L CA -0.217 54.624 54.840 0.003 0.000 0.825 514 L CB 1.425 43.559 42.059 0.125 0.000 1.243 514 L HN 0.894 nan 8.230 nan 0.000 0.412 515 D N 2.984 123.206 120.400 -0.296 0.000 3.103 515 D HA 0.512 5.151 4.640 -0.003 0.000 0.337 515 D C -1.517 174.448 176.300 -0.558 0.000 1.356 515 D CA 0.073 53.839 54.000 -0.390 0.000 0.951 515 D CB 1.880 42.415 40.800 -0.442 0.000 1.438 515 D HN 0.245 nan 8.370 nan 0.000 0.562 516 F N -0.201 119.444 119.950 -0.508 0.000 2.715 516 F HA 0.716 5.242 4.527 -0.003 0.000 0.318 516 F C -1.107 174.787 175.800 0.157 0.000 1.141 516 F CA -1.082 56.739 58.000 -0.298 0.000 0.950 516 F CB 0.968 39.348 39.000 -1.033 0.000 1.374 516 F HN 0.341 nan 8.300 nan 0.000 0.477 517 I N -0.077 120.769 120.570 0.460 0.000 3.042 517 I HA 0.744 4.912 4.170 -0.003 0.000 0.310 517 I C -1.743 174.627 176.117 0.422 0.000 1.117 517 I CA -1.251 60.251 61.300 0.337 0.000 1.003 517 I CB 2.644 40.821 38.000 0.296 0.000 1.228 517 I HN 0.681 nan 8.210 nan 0.000 0.443 518 I N 4.011 124.759 120.570 0.296 0.000 2.441 518 I HA 0.483 4.651 4.170 -0.003 0.000 0.295 518 I C -0.954 175.312 176.117 0.249 0.000 0.994 518 I CA -0.775 60.683 61.300 0.263 0.000 1.144 518 I CB 1.993 40.105 38.000 0.187 0.000 1.314 518 I HN 0.405 nan 8.210 nan 0.000 0.445 519 L N 6.181 127.591 121.223 0.312 0.000 2.446 519 L HA 0.418 4.756 4.340 -0.003 0.000 0.268 519 L C -0.697 176.312 176.870 0.233 0.000 0.975 519 L CA -0.782 54.223 54.840 0.274 0.000 0.848 519 L CB 1.505 43.774 42.059 0.349 0.000 1.225 519 L HN 0.621 nan 8.230 nan 0.000 0.410 520 N N 2.918 121.695 118.700 0.128 0.000 2.714 520 N HA -0.200 4.538 4.740 -0.003 0.000 0.253 520 N C 0.353 175.906 175.510 0.072 0.000 1.024 520 N CA 1.087 54.189 53.050 0.087 0.000 0.726 520 N CB -0.718 37.817 38.487 0.080 0.000 0.908 520 N HN 0.777 nan 8.380 nan 0.000 0.542 521 E N -4.048 116.188 120.200 0.061 0.000 3.799 521 E HA -0.208 4.141 4.350 -0.003 0.000 0.320 521 E C -0.373 176.224 176.600 -0.006 0.000 0.760 521 E CA 1.660 58.078 56.400 0.029 0.000 1.153 521 E CB -1.660 28.049 29.700 0.015 0.000 1.589 521 E HN 0.629 nan 8.360 nan 0.000 0.448 522 T N 1.598 116.148 114.554 -0.006 0.000 2.797 522 T HA 0.403 4.751 4.350 -0.003 0.000 0.279 522 T C 0.178 174.706 174.700 -0.287 0.000 0.991 522 T CA -0.836 61.149 62.100 -0.193 0.000 0.979 522 T CB 1.719 70.407 68.868 -0.300 0.000 0.943 522 T HN 0.082 nan 8.240 nan 0.000 0.444 523 K N 2.587 122.776 120.400 -0.353 0.000 2.205 523 K HA 0.544 4.862 4.320 -0.003 0.000 0.279 523 K C -1.321 175.017 176.600 -0.437 0.000 1.027 523 K CA -0.479 55.649 56.287 -0.266 0.000 0.932 523 K CB 0.794 33.038 32.500 -0.426 0.000 1.032 523 K HN 0.395 nan 8.250 nan 0.000 0.466 524 F N 1.508 121.534 119.950 0.126 0.000 2.529 524 F HA 0.331 4.856 4.527 -0.003 0.000 0.320 524 F C -0.661 175.238 175.800 0.166 0.000 1.118 524 F CA -0.870 57.203 58.000 0.120 0.000 0.915 524 F CB 1.178 40.215 39.000 0.063 0.000 1.161 524 F HN 0.522 nan 8.300 nan 0.000 0.445 525 W N 3.461 124.916 121.300 0.258 0.000 2.237 525 W HA 0.485 5.143 4.660 -0.003 0.000 0.335 525 W C -0.537 176.196 176.519 0.357 0.000 1.230 525 W CA -0.447 57.070 57.345 0.287 0.000 1.253 525 W CB 0.505 30.059 29.460 0.157 0.000 1.129 525 W HN 0.448 nan 8.180 nan 0.000 0.590 526 Y N -0.542 120.098 120.300 0.566 0.000 2.655 526 Y HA 0.666 5.214 4.550 -0.003 0.000 0.336 526 Y C -1.081 175.046 175.900 0.378 0.000 1.154 526 Y CA -1.904 56.523 58.100 0.544 0.000 1.055 526 Y CB 1.122 40.057 38.460 0.793 0.000 1.295 526 Y HN 0.561 nan 8.280 nan 0.000 0.465 527 Q N 1.802 121.859 119.800 0.428 0.000 2.416 527 Q HA 0.758 5.096 4.340 -0.003 0.000 0.281 527 Q C -1.902 174.217 176.000 0.198 0.000 1.067 527 Q CA -1.161 54.754 55.803 0.187 0.000 0.809 527 Q CB 3.343 32.156 28.738 0.125 0.000 1.418 527 Q HN 0.858 nan 8.270 nan 0.000 0.411 528 M N 2.208 121.837 119.600 0.048 0.000 2.327 528 M HA 0.443 4.921 4.480 -0.003 0.000 0.298 528 M C -1.273 174.928 176.300 -0.165 0.000 1.065 528 M CA -0.961 54.288 55.300 -0.085 0.000 0.916 528 M CB 2.206 34.702 32.600 -0.175 0.000 1.630 528 M HN 0.593 nan 8.290 nan 0.000 0.442 529 I N 4.853 125.315 120.570 -0.181 0.000 2.301 529 I HA 0.334 4.502 4.170 -0.003 0.000 0.292 529 I C -0.413 175.517 176.117 -0.313 0.000 1.046 529 I CA -0.290 60.882 61.300 -0.215 0.000 1.282 529 I CB 0.257 38.146 38.000 -0.185 0.000 1.409 529 I HN 0.624 nan 8.210 nan 0.000 0.484 530 L N 8.599 129.593 121.223 -0.382 0.000 2.289 530 L HA 0.414 4.753 4.340 -0.003 0.000 0.285 530 L C -2.110 174.533 176.870 -0.378 0.000 1.049 530 L CA -1.777 52.729 54.840 -0.556 0.000 0.804 530 L CB 1.075 42.638 42.059 -0.827 0.000 1.195 530 L HN 0.277 nan 8.230 nan 0.000 0.428 531 P HA 0.032 nan 4.420 nan 0.000 0.267 531 P C -2.480 174.752 177.300 -0.113 0.000 1.201 531 P CA -0.753 62.238 63.100 -0.181 0.000 0.775 531 P CB -0.206 31.442 31.700 -0.087 0.000 0.854 532 P HA 0.006 nan 4.420 nan 0.000 0.268 532 P C -0.432 176.782 177.300 -0.144 0.000 1.205 532 P CA 0.442 63.418 63.100 -0.206 0.000 0.771 532 P CB -0.239 31.228 31.700 -0.388 0.000 0.858 533 H N -1.596 117.507 119.070 0.055 0.000 2.862 533 H HA -0.214 4.340 4.556 -0.003 0.000 0.290 533 H C 0.042 175.434 175.328 0.107 0.000 1.211 533 H CA -0.640 55.447 56.048 0.065 0.000 1.140 533 H CB -2.070 27.723 29.762 0.053 0.000 1.341 533 H HN 0.342 nan 8.280 nan 0.000 0.392 534 F N 2.801 122.761 119.950 0.018 0.000 2.623 534 F HA 0.043 4.568 4.527 -0.003 0.000 0.386 534 F C 0.591 176.397 175.800 0.009 0.000 1.068 534 F CA 0.337 58.283 58.000 -0.090 0.000 1.265 534 F CB 0.457 39.291 39.000 -0.277 0.000 1.026 534 F HN 0.268 nan 8.300 nan 0.000 0.568 535 D N 5.576 125.660 120.400 -0.527 0.000 2.389 535 D HA 0.139 4.778 4.640 -0.003 0.000 0.256 535 D C 0.280 176.238 176.300 -0.569 0.000 1.239 535 D CA -0.634 53.127 54.000 -0.398 0.000 0.925 535 D CB 0.770 41.513 40.800 -0.094 0.000 1.145 535 D HN 0.622 nan 8.370 nan 0.000 0.542 536 K N 1.238 121.206 120.400 -0.719 0.000 2.633 536 K HA -0.073 4.245 4.320 -0.003 0.000 0.193 536 K C 1.138 177.730 176.600 -0.013 0.000 1.033 536 K CA 0.610 56.685 56.287 -0.352 0.000 0.980 536 K CB 0.119 32.571 32.500 -0.079 0.000 0.800 536 K HN 0.115 nan 8.250 nan 0.000 0.493 537 S N 0.076 115.736 115.700 -0.067 0.000 2.458 537 S HA 0.064 4.532 4.470 -0.003 0.000 0.223 537 S C 0.397 174.987 174.600 -0.017 0.000 1.019 537 S CA -0.082 58.106 58.200 -0.021 0.000 0.937 537 S CB 0.163 63.338 63.200 -0.041 0.000 0.788 537 S HN 0.322 nan 8.310 nan 0.000 0.511 538 K N 1.031 121.404 120.400 -0.046 0.000 2.098 538 K HA 0.334 4.652 4.320 -0.003 0.000 0.244 538 K C -0.606 175.959 176.600 -0.058 0.000 1.014 538 K CA -0.549 55.657 56.287 -0.134 0.000 0.917 538 K CB 0.566 32.850 32.500 -0.360 0.000 1.072 538 K HN -0.032 nan 8.250 nan 0.000 0.477 539 K N 2.352 122.666 120.400 -0.143 0.000 2.293 539 K HA 0.259 4.578 4.320 -0.003 0.000 0.267 539 K C -1.132 175.420 176.600 -0.079 0.000 1.010 539 K CA -0.393 55.895 56.287 0.002 0.000 0.875 539 K CB 0.874 33.375 32.500 0.001 0.000 1.106 539 K HN 0.413 nan 8.250 nan 0.000 0.450 540 Y N 2.845 123.241 120.300 0.160 0.000 2.420 540 Y HA 0.315 4.864 4.550 -0.003 0.000 0.334 540 Y C -1.825 174.150 175.900 0.124 0.000 1.094 540 Y CA -2.533 55.649 58.100 0.137 0.000 1.126 540 Y CB 0.994 39.563 38.460 0.181 0.000 1.217 540 Y HN 0.437 nan 8.280 nan 0.000 0.462 541 P HA 0.200 nan 4.420 nan 0.000 0.274 541 P C -1.092 176.294 177.300 0.144 0.000 1.231 541 P CA -0.211 63.033 63.100 0.240 0.000 0.790 541 P CB 1.677 33.541 31.700 0.273 0.000 0.951 542 L N 2.552 123.903 121.223 0.214 0.000 2.410 542 L HA 0.510 4.849 4.340 -0.003 0.000 0.270 542 L C -1.188 175.818 176.870 0.226 0.000 0.983 542 L CA -1.021 53.908 54.840 0.148 0.000 0.822 542 L CB 1.712 43.878 42.059 0.178 0.000 1.285 542 L HN 0.252 nan 8.230 nan 0.000 0.409 543 L N 5.735 127.035 121.223 0.128 0.000 2.298 543 L HA 0.411 4.749 4.340 -0.003 0.000 0.284 543 L C -1.092 175.972 176.870 0.324 0.000 1.013 543 L CA -0.869 54.127 54.840 0.258 0.000 0.824 543 L CB 1.699 43.813 42.059 0.091 0.000 1.221 543 L HN 0.610 nan 8.230 nan 0.000 0.418 544 L N 5.358 126.842 121.223 0.436 0.000 2.278 544 L HA 0.284 4.622 4.340 -0.003 0.000 0.287 544 L C -0.233 176.863 176.870 0.376 0.000 1.072 544 L CA 0.200 55.290 54.840 0.415 0.000 0.819 544 L CB 0.722 43.069 42.059 0.479 0.000 1.176 544 L HN 0.474 nan 8.230 nan 0.000 0.435 545 D N 4.681 125.275 120.400 0.323 0.000 2.396 545 D HA 0.225 4.863 4.640 -0.003 0.000 0.225 545 D C -0.970 175.402 176.300 0.120 0.000 1.121 545 D CA 0.013 54.132 54.000 0.199 0.000 0.853 545 D CB 1.174 42.155 40.800 0.300 0.000 1.043 545 D HN 0.336 nan 8.370 nan 0.000 0.500 546 V N 5.332 125.254 119.914 0.013 0.000 2.715 546 V HA 0.469 4.588 4.120 -0.003 0.000 0.310 546 V C -0.890 175.291 176.094 0.145 0.000 1.054 546 V CA -0.398 61.969 62.300 0.112 0.000 0.928 546 V CB 1.830 33.723 31.823 0.118 0.000 1.007 546 V HN 0.654 nan 8.190 nan 0.000 0.437 547 Y N 4.965 125.331 120.300 0.111 0.000 3.224 547 Y HA 0.556 5.104 4.550 -0.003 0.000 0.184 547 Y C 1.560 177.586 175.900 0.210 0.000 0.891 547 Y CA 1.094 59.284 58.100 0.149 0.000 1.736 547 Y CB 0.290 38.818 38.460 0.115 0.000 1.411 547 Y HN 1.035 nan 8.280 nan 0.000 0.402 548 A N 0.858 123.752 122.820 0.123 0.000 2.899 548 A HA -0.162 4.156 4.320 -0.003 0.000 0.257 548 A C 0.853 178.224 177.584 -0.356 0.000 1.335 548 A CA 0.861 52.904 52.037 0.010 0.000 0.924 548 A CB -2.541 16.535 19.000 0.127 0.000 1.105 548 A HN 0.965 nan 8.150 nan 0.000 0.765 549 G N -0.888 107.438 108.800 -0.790 0.000 2.634 549 G HA2 0.476 4.434 3.960 -0.003 0.000 0.255 549 G HA3 0.476 4.434 3.960 -0.003 0.000 0.255 549 G C -2.251 172.312 174.900 -0.562 0.000 1.205 549 G CA -0.815 43.433 45.100 -1.420 0.000 0.884 549 G HN 0.282 nan 8.290 nan 0.000 0.549 550 P HA 0.070 nan 4.420 nan 0.000 0.261 550 P C 0.588 177.727 177.300 -0.269 0.000 1.183 550 P CA 0.183 62.971 63.100 -0.520 0.000 0.761 550 P CB 0.659 31.594 31.700 -1.275 0.000 0.785 551 C N 2.594 121.807 119.300 -0.144 0.000 4.417 551 C HA -0.155 4.303 4.460 -0.003 0.000 0.284 551 C C 0.993 176.013 174.990 0.050 0.000 1.379 551 C CA 1.149 60.061 59.018 -0.177 0.000 1.918 551 C CB -2.706 24.767 27.740 -0.444 0.000 1.280 551 C HN 0.789 nan 8.230 nan 0.000 0.783 552 S N -0.015 115.778 115.700 0.154 0.000 2.632 552 S HA 0.589 5.057 4.470 -0.003 0.000 0.267 552 S C -0.627 174.143 174.600 0.284 0.000 1.276 552 S CA 0.094 58.479 58.200 0.308 0.000 0.998 552 S CB 1.672 65.121 63.200 0.414 0.000 0.953 552 S HN 0.821 nan 8.310 nan 0.000 0.547 553 Q N -0.055 119.934 119.800 0.316 0.000 2.309 553 Q HA 0.362 4.700 4.340 -0.003 0.000 0.254 553 Q C -0.836 175.295 176.000 0.218 0.000 0.938 553 Q CA -0.601 55.373 55.803 0.286 0.000 0.789 553 Q CB 1.073 30.032 28.738 0.368 0.000 1.313 553 Q HN 0.674 nan 8.270 nan 0.000 0.438 554 K N 1.190 121.716 120.400 0.210 0.000 2.374 554 K HA 0.355 4.673 4.320 -0.003 0.000 0.202 554 K C -0.559 176.150 176.600 0.181 0.000 1.040 554 K CA 0.276 56.675 56.287 0.188 0.000 1.085 554 K CB 1.623 34.260 32.500 0.228 0.000 0.873 554 K HN 0.500 nan 8.250 nan 0.000 0.539 555 A N 2.656 125.592 122.820 0.194 0.000 2.328 555 A HA 0.452 4.771 4.320 -0.003 0.000 0.318 555 A C -0.821 176.841 177.584 0.130 0.000 1.347 555 A CA -0.549 51.608 52.037 0.199 0.000 0.842 555 A CB 0.211 19.395 19.000 0.306 0.000 1.148 555 A HN 0.223 nan 8.150 nan 0.000 0.499 556 D N -0.043 120.405 120.400 0.080 0.000 2.812 556 D HA 0.433 5.072 4.640 -0.003 0.000 0.318 556 D C 0.461 176.773 176.300 0.021 0.000 1.234 556 D CA 0.313 54.344 54.000 0.052 0.000 0.989 556 D CB 0.268 41.098 40.800 0.051 0.000 1.442 556 D HN 0.164 nan 8.370 nan 0.000 0.537 557 T N -2.420 112.158 114.554 0.042 0.000 3.145 557 T HA 0.317 4.665 4.350 -0.003 0.000 0.255 557 T C 0.457 175.115 174.700 -0.070 0.000 1.039 557 T CA -0.351 61.767 62.100 0.029 0.000 0.928 557 T CB -0.605 68.330 68.868 0.111 0.000 1.029 557 T HN 0.265 nan 8.240 nan 0.000 0.554 558 V N 2.602 122.368 119.914 -0.247 0.000 2.614 558 V HA 0.331 4.449 4.120 -0.003 0.000 0.291 558 V C 0.056 176.088 176.094 -0.103 0.000 1.049 558 V CA -0.958 61.164 62.300 -0.296 0.000 1.038 558 V CB 0.106 31.633 31.823 -0.493 0.000 0.980 558 V HN 0.545 nan 8.190 nan 0.000 0.481 559 F N 6.354 126.201 119.950 -0.170 0.000 2.420 559 F HA 0.585 5.110 4.527 -0.003 0.000 0.352 559 F C 0.468 176.204 175.800 -0.106 0.000 1.108 559 F CA -0.184 57.742 58.000 -0.123 0.000 1.162 559 F CB 0.319 39.253 39.000 -0.109 0.000 1.118 559 F HN 0.435 nan 8.300 nan 0.000 0.510 560 R N 6.118 126.172 120.500 -0.744 0.000 2.795 560 R HA 0.612 4.950 4.340 -0.003 0.000 0.275 560 R C -1.680 174.202 176.300 -0.697 0.000 0.981 560 R CA -1.133 54.657 56.100 -0.517 0.000 0.917 560 R CB 2.222 32.366 30.300 -0.260 0.000 1.202 560 R HN 0.657 nan 8.270 nan 0.000 0.469 561 L N 3.557 124.568 121.223 -0.354 0.000 2.345 561 L HA 0.432 4.770 4.340 -0.003 0.000 0.274 561 L C -0.750 176.109 176.870 -0.020 0.000 0.999 561 L CA -0.659 54.016 54.840 -0.275 0.000 0.849 561 L CB 0.885 42.907 42.059 -0.062 0.000 1.220 561 L HN 0.783 nan 8.230 nan 0.000 0.422 562 N N 0.304 118.923 118.700 -0.136 0.000 3.506 562 N HA 0.176 4.915 4.740 -0.003 0.000 0.331 562 N C 0.133 175.291 175.510 -0.586 0.000 1.631 562 N CA -0.862 52.014 53.050 -0.289 0.000 0.786 562 N CB 0.159 38.591 38.487 -0.092 0.000 2.023 562 N HN 0.322 nan 8.380 nan 0.000 0.621 563 W N 0.604 121.333 121.300 -0.952 0.000 2.363 563 W HA 0.231 4.889 4.660 -0.003 0.000 0.296 563 W C 2.051 178.491 176.519 -0.132 0.000 1.212 563 W CA 2.708 59.691 57.345 -0.604 0.000 1.260 563 W CB -0.976 28.261 29.460 -0.372 0.000 1.131 563 W HN 0.694 nan 8.180 nan 0.000 0.530 564 A N -0.420 122.347 122.820 -0.088 0.000 1.978 564 A HA -0.218 4.100 4.320 -0.003 0.000 0.220 564 A C 1.935 179.379 177.584 -0.233 0.000 1.170 564 A CA 2.515 54.430 52.037 -0.204 0.000 0.636 564 A CB -1.272 17.694 19.000 -0.056 0.000 0.810 564 A HN 0.302 nan 8.150 nan 0.000 0.448 565 T N -1.297 113.149 114.554 -0.180 0.000 2.746 565 T HA -0.189 4.159 4.350 -0.003 0.000 0.267 565 T C 1.810 176.515 174.700 0.008 0.000 1.039 565 T CA 1.706 63.687 62.100 -0.199 0.000 1.142 565 T CB -0.470 68.122 68.868 -0.459 0.000 0.866 565 T HN 0.695 nan 8.240 nan 0.000 0.444 566 Y N 2.101 122.462 120.300 0.101 0.000 2.163 566 Y HA -0.011 4.537 4.550 -0.003 0.000 0.288 566 Y C 1.964 177.804 175.900 -0.101 0.000 1.136 566 Y CA 0.920 59.094 58.100 0.124 0.000 1.147 566 Y CB -0.788 37.726 38.460 0.090 0.000 0.987 566 Y HN 0.102 nan 8.280 nan 0.000 0.509 567 L N 0.270 120.979 121.223 -0.857 0.000 2.079 567 L HA -0.245 4.093 4.340 -0.003 0.000 0.210 567 L C 2.787 179.306 176.870 -0.584 0.000 1.081 567 L CA 1.355 55.623 54.840 -0.955 0.000 0.752 567 L CB -0.970 40.556 42.059 -0.888 0.000 0.896 567 L HN 0.449 nan 8.230 nan 0.000 0.433 568 A N -1.190 121.385 122.820 -0.408 0.000 1.855 568 A HA -0.168 4.150 4.320 -0.003 0.000 0.213 568 A C 2.510 179.959 177.584 -0.224 0.000 1.195 568 A CA 1.582 53.445 52.037 -0.291 0.000 0.610 568 A CB -0.685 18.159 19.000 -0.261 0.000 0.837 568 A HN 0.313 nan 8.150 nan 0.000 0.444 569 S N -1.028 114.568 115.700 -0.174 0.000 2.356 569 S HA -0.136 4.332 4.470 -0.003 0.000 0.223 569 S C 1.955 176.507 174.600 -0.080 0.000 1.032 569 S CA 2.401 60.549 58.200 -0.088 0.000 1.005 569 S CB -0.410 62.814 63.200 0.040 0.000 0.867 569 S HN 0.576 nan 8.310 nan 0.000 0.449 570 T N 0.953 115.431 114.554 -0.126 0.000 3.033 570 T HA 0.197 4.546 4.350 -0.003 0.000 0.248 570 T C 1.393 176.004 174.700 -0.149 0.000 1.040 570 T CA 0.472 62.522 62.100 -0.082 0.000 1.133 570 T CB -0.040 68.870 68.868 0.071 0.000 0.895 570 T HN 0.304 nan 8.240 nan 0.000 0.465 571 E N 1.258 121.269 120.200 -0.315 0.000 2.472 571 E HA 0.166 4.514 4.350 -0.003 0.000 0.196 571 E C -0.058 176.446 176.600 -0.161 0.000 1.033 571 E CA -0.036 56.218 56.400 -0.243 0.000 0.886 571 E CB -0.204 29.271 29.700 -0.375 0.000 0.944 571 E HN 0.521 nan 8.360 nan 0.000 0.492 572 N N 0.603 119.220 118.700 -0.138 0.000 2.756 572 N HA -0.179 4.559 4.740 -0.003 0.000 0.248 572 N C -0.880 174.634 175.510 0.007 0.000 1.062 572 N CA 0.305 53.349 53.050 -0.009 0.000 0.696 572 N CB -1.308 37.236 38.487 0.095 0.000 0.946 572 N HN 0.196 nan 8.380 nan 0.000 0.548 573 I N 0.653 121.122 120.570 -0.168 0.000 2.441 573 I HA 0.394 4.562 4.170 -0.003 0.000 0.295 573 I C 0.548 176.536 176.117 -0.215 0.000 0.994 573 I CA -0.922 60.248 61.300 -0.216 0.000 1.144 573 I CB 1.485 39.224 38.000 -0.434 0.000 1.314 573 I HN 0.022 nan 8.210 nan 0.000 0.445 574 I N 6.052 126.528 120.570 -0.157 0.000 2.371 574 I HA 0.181 4.349 4.170 -0.003 0.000 0.290 574 I C -0.428 175.597 176.117 -0.152 0.000 1.028 574 I CA -0.438 60.739 61.300 -0.204 0.000 1.345 574 I CB 1.172 39.081 38.000 -0.151 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.501 575 V N 6.839 126.659 119.914 -0.158 0.000 2.334 575 V HA 0.583 4.701 4.120 -0.003 0.000 0.281 575 V C 0.343 176.425 176.094 -0.020 0.000 1.016 575 V CA -0.436 61.827 62.300 -0.061 0.000 0.832 575 V CB 1.128 32.907 31.823 -0.074 0.000 0.999 575 V HN 0.836 nan 8.190 nan 0.000 0.439 576 A N 4.017 126.863 122.820 0.043 0.000 2.337 576 A HA 0.947 5.265 4.320 -0.003 0.000 0.331 576 A C -0.121 177.612 177.584 0.249 0.000 1.137 576 A CA -0.496 51.575 52.037 0.056 0.000 0.807 576 A CB 1.649 20.522 19.000 -0.212 0.000 1.250 576 A HN 0.671 nan 8.150 nan 0.000 0.468 577 S N -0.292 115.611 115.700 0.338 0.000 2.549 577 S HA 0.724 5.192 4.470 -0.003 0.000 0.280 577 S C -1.523 173.445 174.600 0.612 0.000 1.109 577 S CA -0.292 58.156 58.200 0.413 0.000 0.905 577 S CB 1.284 64.662 63.200 0.296 0.000 1.081 577 S HN 0.732 nan 8.310 nan 0.000 0.477 578 F N 1.853 122.042 119.950 0.399 0.000 2.556 578 F HA 0.511 5.036 4.527 -0.003 0.000 0.314 578 F C -1.440 174.556 175.800 0.326 0.000 1.106 578 F CA -0.780 57.472 58.000 0.420 0.000 0.911 578 F CB 1.508 40.714 39.000 0.343 0.000 1.190 578 F HN 0.378 nan 8.300 nan 0.000 0.448 579 D N 4.361 124.570 120.400 -0.318 0.000 2.454 579 D HA 0.393 5.032 4.640 -0.003 0.000 0.225 579 D C 0.311 176.319 176.300 -0.487 0.000 1.081 579 D CA 0.129 54.016 54.000 -0.188 0.000 0.864 579 D CB 1.444 42.289 40.800 0.076 0.000 1.040 579 D HN 0.766 nan 8.370 nan 0.000 0.517 580 G N 1.214 109.812 108.800 -0.336 0.000 2.736 580 G HA2 0.306 4.265 3.960 -0.003 0.000 0.229 580 G HA3 0.306 4.265 3.960 -0.003 0.000 0.229 580 G C 0.068 174.938 174.900 -0.049 0.000 1.380 580 G CA -0.756 44.135 45.100 -0.348 0.000 1.040 580 G HN 0.289 nan 8.290 nan 0.000 0.568 581 R N -0.592 119.862 120.500 -0.076 0.000 2.583 581 R HA 0.334 4.673 4.340 -0.003 0.000 0.274 581 R C 1.277 177.649 176.300 0.119 0.000 0.998 581 R CA 1.576 57.738 56.100 0.102 0.000 1.081 581 R CB 0.322 30.671 30.300 0.081 0.000 0.940 581 R HN 1.088 nan 8.270 nan 0.000 0.413 582 G N 1.199 110.070 108.800 0.119 0.000 2.254 582 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.225 582 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.225 582 G C 0.165 175.086 174.900 0.035 0.000 1.003 582 G CA 0.127 45.277 45.100 0.084 0.000 0.622 582 G HN 0.751 nan 8.290 nan 0.000 0.507 583 S N 0.568 116.301 115.700 0.056 0.000 2.584 583 S HA 0.606 5.074 4.470 -0.003 0.000 0.270 583 S C 0.902 175.497 174.600 -0.009 0.000 1.346 583 S CA 0.664 58.895 58.200 0.052 0.000 1.018 583 S CB 1.637 64.898 63.200 0.102 0.000 0.899 583 S HN 1.717 nan 8.310 nan 0.000 0.542 584 G N -0.435 108.327 108.800 -0.062 0.000 2.552 584 G HA2 0.496 4.455 3.960 -0.003 0.000 0.318 584 G HA3 0.496 4.455 3.960 -0.003 0.000 0.318 584 G C -0.887 173.884 174.900 -0.214 0.000 1.240 584 G CA -0.981 43.928 45.100 -0.319 0.000 1.002 584 G HN 0.966 nan 8.290 nan 0.000 0.493 585 Y N -2.396 117.902 120.300 -0.003 0.000 4.798 585 Y HA -0.218 4.330 4.550 -0.003 0.000 0.237 585 Y C 1.471 177.362 175.900 -0.015 0.000 1.017 585 Y CA 1.140 59.238 58.100 -0.002 0.000 2.010 585 Y CB -2.082 36.398 38.460 0.033 0.000 1.582 585 Y HN 0.544 nan 8.280 nan 0.000 0.621 586 Q N -0.074 119.729 119.800 0.006 0.000 2.112 586 Q HA 0.513 4.851 4.340 -0.003 0.000 0.222 586 Q C 0.858 176.718 176.000 -0.234 0.000 0.798 586 Q CA 0.246 56.051 55.803 0.003 0.000 1.060 586 Q CB 1.700 30.454 28.738 0.027 0.000 1.184 586 Q HN 0.559 nan 8.270 nan 0.000 0.475 587 G N 0.697 109.219 108.800 -0.462 0.000 2.650 587 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.686 587 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.686 587 G C -0.528 173.993 174.900 -0.632 0.000 1.205 587 G CA -0.677 43.884 45.100 -0.898 0.000 0.781 587 G HN 0.080 nan 8.290 nan 0.000 0.648 588 D N 0.231 120.220 120.400 -0.685 0.000 2.218 588 D HA -0.076 4.563 4.640 -0.003 0.000 0.204 588 D C 2.240 178.252 176.300 -0.480 0.000 0.976 588 D CA 1.468 55.020 54.000 -0.748 0.000 0.853 588 D CB 0.095 40.416 40.800 -0.799 0.000 0.939 588 D HN 0.564 nan 8.370 nan 0.000 0.481 589 K N 0.864 121.052 120.400 -0.353 0.000 2.063 589 K HA -0.081 4.237 4.320 -0.003 0.000 0.208 589 K C 1.914 178.444 176.600 -0.117 0.000 1.048 589 K CA 1.014 57.188 56.287 -0.189 0.000 0.928 589 K CB -0.338 32.069 32.500 -0.155 0.000 0.713 589 K HN 0.130 nan 8.250 nan 0.000 0.442 590 I N -0.154 120.337 120.570 -0.132 0.000 2.400 590 I HA -0.117 4.051 4.170 -0.003 0.000 0.248 590 I C 2.539 178.650 176.117 -0.010 0.000 1.109 590 I CA 0.942 62.236 61.300 -0.010 0.000 1.425 590 I CB -0.110 37.906 38.000 0.026 0.000 1.094 590 I HN 0.280 nan 8.210 nan 0.000 0.425 591 M N -0.043 119.478 119.600 -0.131 0.000 2.132 591 M HA -0.216 4.262 4.480 -0.003 0.000 0.263 591 M C 1.914 178.266 176.300 0.086 0.000 1.065 591 M CA 1.960 57.213 55.300 -0.079 0.000 1.122 591 M CB -0.261 32.190 32.600 -0.249 0.000 1.365 591 M HN 0.265 nan 8.290 nan 0.000 0.411 592 H N -0.791 118.186 119.070 -0.155 0.000 2.547 592 H HA 0.167 4.721 4.556 -0.003 0.000 0.266 592 H C 1.878 177.225 175.328 0.031 0.000 0.988 592 H CA 0.153 56.117 56.048 -0.142 0.000 1.147 592 H CB 0.194 29.774 29.762 -0.303 0.000 1.365 592 H HN 0.525 nan 8.280 nan 0.000 0.589 593 A N 1.592 124.513 122.820 0.168 0.000 2.024 593 A HA -0.143 4.175 4.320 -0.003 0.000 0.220 593 A C 2.100 179.875 177.584 0.320 0.000 1.164 593 A CA 1.167 53.313 52.037 0.182 0.000 0.643 593 A CB -0.679 18.384 19.000 0.105 0.000 0.806 593 A HN 0.588 nan 8.150 nan 0.000 0.451 594 I N -3.251 117.488 120.570 0.282 0.000 3.875 594 I HA 0.133 4.302 4.170 -0.003 0.000 0.329 594 I C 0.419 176.622 176.117 0.143 0.000 1.295 594 I CA -0.420 61.007 61.300 0.212 0.000 1.129 594 I CB -0.622 37.459 38.000 0.137 0.000 1.008 594 I HN 0.198 nan 8.210 nan 0.000 0.413 595 N N 3.238 122.069 118.700 0.219 0.000 2.294 595 N HA -0.110 4.628 4.740 -0.003 0.000 0.263 595 N C 0.198 175.739 175.510 0.052 0.000 1.281 595 N CA 0.481 53.656 53.050 0.208 0.000 0.846 595 N CB 0.324 38.898 38.487 0.144 0.000 1.061 595 N HN 0.425 nan 8.380 nan 0.000 0.478 596 R N 0.692 121.197 120.500 0.009 0.000 4.000 596 R HA -0.200 4.138 4.340 -0.003 0.000 0.362 596 R C -0.162 176.013 176.300 -0.208 0.000 1.183 596 R CA 0.877 56.938 56.100 -0.065 0.000 1.011 596 R CB -0.922 29.360 30.300 -0.030 0.000 1.501 596 R HN 0.551 nan 8.270 nan 0.000 0.553 597 R N 0.474 120.833 120.500 -0.233 0.000 2.734 597 R HA 0.262 4.601 4.340 -0.003 0.000 0.395 597 R C -0.909 175.290 176.300 -0.168 0.000 1.096 597 R CA -0.458 55.346 56.100 -0.493 0.000 1.071 597 R CB 0.482 30.520 30.300 -0.436 0.000 1.348 597 R HN -0.078 nan 8.270 nan 0.000 0.600 598 L N -0.154 121.059 121.223 -0.017 0.000 2.506 598 L HA 0.235 4.573 4.340 -0.003 0.000 0.281 598 L C 1.564 178.647 176.870 0.355 0.000 1.228 598 L CA 1.647 56.526 54.840 0.066 0.000 0.850 598 L CB 0.450 42.309 42.059 -0.334 0.000 1.110 598 L HN 0.677 nan 8.230 nan 0.000 0.496 599 G N 0.889 109.953 108.800 0.439 0.000 2.136 599 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.242 599 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.242 599 G C 0.594 175.581 174.900 0.146 0.000 0.989 599 G CA 1.048 46.380 45.100 0.387 0.000 0.682 599 G HN 0.916 nan 8.290 nan 0.000 0.522 600 T N -3.481 111.096 114.554 0.039 0.000 3.409 600 T HA 0.453 4.801 4.350 -0.003 0.000 0.188 600 T C 1.685 176.315 174.700 -0.116 0.000 0.929 600 T CA 0.979 62.985 62.100 -0.157 0.000 1.184 600 T CB -0.056 68.515 68.868 -0.494 0.000 1.570 600 T HN 0.144 nan 8.240 nan 0.000 0.367 601 F N 3.409 123.391 119.950 0.053 0.000 2.186 601 F HA 0.144 4.669 4.527 -0.003 0.000 0.299 601 F C 2.778 178.604 175.800 0.043 0.000 1.090 601 F CA 0.978 58.999 58.000 0.035 0.000 1.307 601 F CB -0.627 38.389 39.000 0.026 0.000 1.019 601 F HN 0.467 nan 8.300 nan 0.000 0.489 602 E N 0.756 121.093 120.200 0.228 0.000 2.204 602 E HA -0.115 4.233 4.350 -0.003 0.000 0.194 602 E C 2.077 178.771 176.600 0.157 0.000 0.989 602 E CA 1.292 57.802 56.400 0.184 0.000 0.824 602 E CB -1.023 28.783 29.700 0.176 0.000 0.756 602 E HN 0.302 nan 8.360 nan 0.000 0.477 603 V N 1.658 121.643 119.914 0.118 0.000 2.283 603 V HA -0.201 3.918 4.120 -0.003 0.000 0.243 603 V C 2.345 178.473 176.094 0.057 0.000 1.039 603 V CA 2.073 64.403 62.300 0.050 0.000 1.016 603 V CB -0.548 31.263 31.823 -0.021 0.000 0.650 603 V HN 0.205 nan 8.190 nan 0.000 0.449 604 E N 0.146 120.394 120.200 0.079 0.000 2.085 604 E HA -0.254 4.094 4.350 -0.003 0.000 0.194 604 E C 1.946 178.580 176.600 0.056 0.000 0.994 604 E CA 1.600 58.047 56.400 0.077 0.000 0.801 604 E CB -0.222 29.558 29.700 0.132 0.000 0.743 604 E HN 0.559 nan 8.360 nan 0.000 0.453 605 D N 0.316 120.768 120.400 0.086 0.000 2.178 605 D HA -0.146 4.492 4.640 -0.003 0.000 0.201 605 D C 1.983 178.299 176.300 0.025 0.000 0.980 605 D CA 0.829 54.864 54.000 0.059 0.000 0.842 605 D CB -0.105 40.767 40.800 0.119 0.000 0.948 605 D HN 0.107 nan 8.370 nan 0.000 0.472 606 Q N -0.024 119.837 119.800 0.101 0.000 2.119 606 Q HA -0.014 4.324 4.340 -0.003 0.000 0.201 606 Q C 2.558 178.582 176.000 0.040 0.000 0.972 606 Q CA 0.459 56.317 55.803 0.093 0.000 0.847 606 Q CB -0.080 28.737 28.738 0.132 0.000 0.903 606 Q HN 0.427 nan 8.270 nan 0.000 0.433 607 I N 0.813 121.425 120.570 0.070 0.000 2.179 607 I HA -0.234 3.935 4.170 -0.003 0.000 0.242 607 I C 2.385 178.451 176.117 -0.083 0.000 1.088 607 I CA 0.953 62.328 61.300 0.126 0.000 1.357 607 I CB -0.222 37.847 38.000 0.115 0.000 1.051 607 I HN 0.097 nan 8.210 nan 0.000 0.409 608 E N 1.111 121.218 120.200 -0.155 0.000 2.085 608 E HA -0.232 4.116 4.350 -0.003 0.000 0.194 608 E C 2.255 178.565 176.600 -0.485 0.000 0.994 608 E CA 1.652 57.898 56.400 -0.257 0.000 0.801 608 E CB -0.224 29.349 29.700 -0.211 0.000 0.743 608 E HN 0.487 nan 8.360 nan 0.000 0.453 609 A N 0.844 123.212 122.820 -0.752 0.000 1.902 609 A HA -0.073 4.245 4.320 -0.003 0.000 0.217 609 A C 2.402 179.258 177.584 -1.213 0.000 1.181 609 A CA 2.092 53.346 52.037 -1.306 0.000 0.623 609 A CB -0.600 17.306 19.000 -1.824 0.000 0.818 609 A HN 0.288 nan 8.150 nan 0.000 0.443 610 A N -0.320 122.147 122.820 -0.587 0.000 1.972 610 A HA -0.149 4.169 4.320 -0.003 0.000 0.219 610 A C 2.251 179.627 177.584 -0.346 0.000 1.169 610 A CA 1.415 53.258 52.037 -0.324 0.000 0.635 610 A CB -0.440 18.455 19.000 -0.176 0.000 0.810 610 A HN 0.540 nan 8.150 nan 0.000 0.446 611 R N -0.629 119.660 120.500 -0.351 0.000 2.073 611 R HA -0.124 4.214 4.340 -0.003 0.000 0.234 611 R C 2.458 178.596 176.300 -0.270 0.000 1.134 611 R CA 1.488 57.426 56.100 -0.269 0.000 0.952 611 R CB -0.374 29.794 30.300 -0.220 0.000 0.850 611 R HN 0.634 nan 8.270 nan 0.000 0.433 612 Q N -0.025 119.549 119.800 -0.376 0.000 2.061 612 Q HA -0.167 4.171 4.340 -0.003 0.000 0.204 612 Q C 2.119 177.986 176.000 -0.223 0.000 0.984 612 Q CA 1.415 57.025 55.803 -0.322 0.000 0.846 612 Q CB -0.311 28.177 28.738 -0.417 0.000 0.902 612 Q HN 0.268 nan 8.270 nan 0.000 0.421 613 F N 1.312 121.103 119.950 -0.264 0.000 2.126 613 F HA -0.207 4.319 4.527 -0.003 0.000 0.299 613 F C 2.828 178.466 175.800 -0.271 0.000 1.096 613 F CA 1.316 59.155 58.000 -0.268 0.000 1.255 613 F CB -1.471 37.413 39.000 -0.193 0.000 0.997 613 F HN 0.098 nan 8.300 nan 0.000 0.479 614 S N 0.145 115.825 115.700 -0.034 0.000 2.400 614 S HA -0.184 4.284 4.470 -0.003 0.000 0.232 614 S C 1.635 176.154 174.600 -0.134 0.000 1.025 614 S CA 1.052 59.198 58.200 -0.089 0.000 0.993 614 S CB -0.446 62.693 63.200 -0.102 0.000 0.808 614 S HN 0.401 nan 8.310 nan 0.000 0.478 615 K N 0.259 120.576 120.400 -0.138 0.000 2.546 615 K HA 0.228 4.546 4.320 -0.003 0.000 0.198 615 K C 1.048 177.553 176.600 -0.159 0.000 1.028 615 K CA 0.062 56.271 56.287 -0.130 0.000 1.150 615 K CB -0.125 32.309 32.500 -0.110 0.000 0.876 615 K HN 0.529 nan 8.250 nan 0.000 0.508 616 M N -1.029 118.411 119.600 -0.267 0.000 2.465 616 M HA 0.039 4.518 4.480 -0.003 0.000 0.249 616 M C 1.212 177.255 176.300 -0.428 0.000 1.130 616 M CA 0.635 55.702 55.300 -0.389 0.000 1.067 616 M CB 0.612 32.823 32.600 -0.648 0.000 1.394 616 M HN 0.485 nan 8.290 nan 0.000 0.483 617 G N 1.060 109.656 108.800 -0.339 0.000 2.308 617 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.221 617 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.221 617 G C 0.459 175.322 174.900 -0.063 0.000 1.032 617 G CA 0.282 45.287 45.100 -0.158 0.000 0.623 617 G HN 0.524 nan 8.290 nan 0.000 0.506 618 F N 1.166 121.192 119.950 0.126 0.000 2.645 618 F HA 0.778 5.303 4.527 -0.003 0.000 0.300 618 F C 0.171 176.131 175.800 0.266 0.000 1.115 618 F CA -1.331 56.790 58.000 0.203 0.000 1.355 618 F CB 0.066 39.230 39.000 0.273 0.000 1.026 618 F HN 0.095 nan 8.300 nan 0.000 0.536 619 V N 1.534 121.507 119.914 0.098 0.000 2.448 619 V HA 0.198 4.317 4.120 -0.003 0.000 0.295 619 V C -0.648 175.501 176.094 0.091 0.000 1.025 619 V CA -0.839 61.548 62.300 0.144 0.000 0.859 619 V CB 1.530 33.371 31.823 0.030 0.000 0.988 619 V HN 0.093 nan 8.190 nan 0.000 0.431 620 D N 4.226 124.703 120.400 0.127 0.000 2.338 620 D HA 0.077 4.715 4.640 -0.003 0.000 0.255 620 D C 1.121 177.454 176.300 0.055 0.000 1.237 620 D CA 0.081 54.127 54.000 0.077 0.000 0.883 620 D CB 0.773 41.627 40.800 0.090 0.000 1.087 620 D HN 0.426 nan 8.370 nan 0.000 0.485 621 N N 3.335 122.041 118.700 0.009 0.000 2.192 621 N HA -0.162 4.576 4.740 -0.003 0.000 0.188 621 N C 0.979 176.473 175.510 -0.027 0.000 1.013 621 N CA 0.963 53.998 53.050 -0.024 0.000 0.863 621 N CB 0.081 38.542 38.487 -0.043 0.000 0.990 621 N HN 0.548 nan 8.380 nan 0.000 0.430 622 K N 0.184 120.579 120.400 -0.009 0.000 2.487 622 K HA 0.133 4.451 4.320 -0.003 0.000 0.192 622 K C 0.202 176.794 176.600 -0.012 0.000 1.027 622 K CA 0.295 56.570 56.287 -0.019 0.000 1.054 622 K CB 0.461 32.950 32.500 -0.018 0.000 0.824 622 K HN 0.045 nan 8.250 nan 0.000 0.510 623 R N 1.293 121.821 120.500 0.047 0.000 2.681 623 R HA 0.345 4.683 4.340 -0.003 0.000 0.277 623 R C -0.978 175.486 176.300 0.274 0.000 1.563 623 R CA -0.132 56.031 56.100 0.105 0.000 1.673 623 R CB 0.604 31.049 30.300 0.242 0.000 1.258 623 R HN 0.001 nan 8.270 nan 0.000 0.650 624 I N 1.324 121.991 120.570 0.162 0.000 2.389 624 I HA 0.516 4.684 4.170 -0.003 0.000 0.288 624 I C 0.029 176.373 176.117 0.377 0.000 0.999 624 I CA -0.654 60.792 61.300 0.243 0.000 1.129 624 I CB 1.821 39.810 38.000 -0.018 0.000 1.288 624 I HN 0.323 nan 8.210 nan 0.000 0.444 625 A N 7.237 130.423 122.820 0.611 0.000 2.387 625 A HA 0.930 5.248 4.320 -0.003 0.000 0.298 625 A C -1.070 176.903 177.584 0.649 0.000 1.165 625 A CA -0.651 51.768 52.037 0.636 0.000 0.814 625 A CB 2.127 21.583 19.000 0.760 0.000 1.357 625 A HN 0.729 nan 8.150 nan 0.000 0.443 626 I N 0.028 120.886 120.570 0.479 0.000 2.827 626 I HA 0.732 4.900 4.170 -0.003 0.000 0.298 626 I C -2.000 174.392 176.117 0.458 0.000 1.235 626 I CA -0.611 60.886 61.300 0.328 0.000 1.021 626 I CB 1.821 39.697 38.000 -0.206 0.000 1.259 626 I HN 0.958 nan 8.210 nan 0.000 0.427 627 W N 6.630 128.074 121.300 0.239 0.000 3.146 627 W HA 0.818 5.477 4.660 -0.002 0.000 0.319 627 W C -1.565 175.120 176.519 0.277 0.000 1.258 627 W CA -0.842 56.665 57.345 0.269 0.000 1.189 627 W CB 0.960 30.645 29.460 0.375 0.000 1.412 627 W HN 0.863 nan 8.180 nan 0.000 0.567 628 G N 0.827 109.599 108.800 -0.047 0.000 2.601 628 G HA2 0.476 4.434 3.960 -0.003 0.000 0.291 628 G HA3 0.476 4.434 3.960 -0.003 0.000 0.291 628 G C -2.779 172.113 174.900 -0.014 0.000 1.456 628 G CA -0.738 44.172 45.100 -0.316 0.000 0.804 628 G HN 0.619 nan 8.290 nan 0.000 0.499 629 W N 0.988 122.188 121.300 -0.166 0.000 2.666 629 W HA 0.577 5.236 4.660 -0.003 0.000 0.334 629 W C 0.931 177.509 176.519 0.098 0.000 1.051 629 W CA 0.402 57.739 57.345 -0.013 0.000 1.224 629 W CB 1.960 31.410 29.460 -0.016 0.000 1.405 629 W HN 1.348 nan 8.180 nan 0.000 0.513 630 S N 2.964 118.930 115.700 0.443 0.000 4.138 630 S HA -0.447 4.021 4.470 -0.003 0.000 0.574 630 S C 1.228 175.960 174.600 0.219 0.000 1.895 630 S CA 2.083 60.536 58.200 0.421 0.000 4.239 630 S CB -1.861 61.756 63.200 0.695 0.000 0.264 630 S HN 0.741 nan 8.310 nan 0.000 0.489 631 Y N 2.504 122.852 120.300 0.080 0.000 2.193 631 Y HA 0.019 4.567 4.550 -0.003 0.000 0.285 631 Y C 2.534 178.377 175.900 -0.095 0.000 1.166 631 Y CA 2.675 60.704 58.100 -0.119 0.000 1.181 631 Y CB -1.114 37.050 38.460 -0.493 0.000 0.976 631 Y HN 0.575 nan 8.280 nan 0.000 0.520 632 G N -1.225 107.624 108.800 0.082 0.000 2.443 632 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.219 632 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.219 632 G C 1.866 176.818 174.900 0.086 0.000 1.131 632 G CA 0.706 45.870 45.100 0.106 0.000 0.775 632 G HN 0.582 nan 8.290 nan 0.000 0.547 633 G N -0.263 108.600 108.800 0.106 0.000 2.408 633 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.215 633 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.215 633 G C 1.546 176.488 174.900 0.070 0.000 1.156 633 G CA 0.933 46.082 45.100 0.082 0.000 0.793 633 G HN 0.398 nan 8.290 nan 0.000 0.535 634 Y N 1.617 121.839 120.300 -0.131 0.000 2.114 634 Y HA -0.137 4.411 4.550 -0.003 0.000 0.284 634 Y C 2.711 178.536 175.900 -0.125 0.000 1.143 634 Y CA 1.641 59.613 58.100 -0.214 0.000 1.135 634 Y CB -0.515 37.672 38.460 -0.456 0.000 0.980 634 Y HN 0.020 nan 8.280 nan 0.000 0.499 635 V N -0.234 119.548 119.914 -0.220 0.000 2.343 635 V HA -0.326 3.792 4.120 -0.003 0.000 0.247 635 V C 2.340 178.321 176.094 -0.188 0.000 1.051 635 V CA 2.411 64.571 62.300 -0.232 0.000 1.036 635 V CB -1.242 30.605 31.823 0.040 0.000 0.654 635 V HN 0.492 nan 8.190 nan 0.000 0.451 636 T N -0.139 114.365 114.554 -0.084 0.000 2.684 636 T HA -0.185 4.163 4.350 -0.003 0.000 0.267 636 T C 2.147 176.801 174.700 -0.077 0.000 1.036 636 T CA 2.005 64.070 62.100 -0.059 0.000 1.148 636 T CB -0.247 68.671 68.868 0.082 0.000 0.863 636 T HN 0.529 nan 8.240 nan 0.000 0.436 637 S N 0.987 116.674 115.700 -0.022 0.000 2.368 637 S HA -0.001 4.467 4.470 -0.003 0.000 0.224 637 S C 2.135 176.675 174.600 -0.100 0.000 1.029 637 S CA 0.857 59.075 58.200 0.030 0.000 0.988 637 S CB -0.245 63.026 63.200 0.118 0.000 0.838 637 S HN 0.315 nan 8.310 nan 0.000 0.462 638 M N 0.981 120.423 119.600 -0.263 0.000 2.117 638 M HA -0.028 4.451 4.480 -0.003 0.000 0.262 638 M C 2.246 178.396 176.300 -0.250 0.000 1.065 638 M CA 1.101 56.227 55.300 -0.290 0.000 1.114 638 M CB -1.504 30.819 32.600 -0.462 0.000 1.361 638 M HN 0.169 nan 8.290 nan 0.000 0.408 639 V N 0.815 120.574 119.914 -0.259 0.000 2.287 639 V HA -0.259 3.859 4.120 -0.003 0.000 0.248 639 V C 2.538 178.454 176.094 -0.298 0.000 1.053 639 V CA 1.536 63.684 62.300 -0.254 0.000 1.027 639 V CB -0.697 30.897 31.823 -0.381 0.000 0.646 639 V HN 0.417 nan 8.190 nan 0.000 0.447 640 L N 0.280 121.262 121.223 -0.402 0.000 2.265 640 L HA -0.060 4.278 4.340 -0.003 0.000 0.215 640 L C 2.183 178.497 176.870 -0.926 0.000 1.117 640 L CA 1.383 55.885 54.840 -0.563 0.000 0.782 640 L CB -0.660 41.041 42.059 -0.597 0.000 0.914 640 L HN 0.496 nan 8.230 nan 0.000 0.441 641 G N -1.532 106.772 108.800 -0.826 0.000 3.088 641 G HA2 -0.058 3.901 3.960 -0.003 0.000 0.217 641 G HA3 -0.058 3.901 3.960 -0.003 0.000 0.217 641 G C 1.513 176.231 174.900 -0.302 0.000 1.159 641 G CA 0.567 45.243 45.100 -0.707 0.000 0.760 641 G HN 0.414 nan 8.290 nan 0.000 0.550 642 S N -0.403 115.153 115.700 -0.239 0.000 2.489 642 S HA 0.278 4.746 4.470 -0.003 0.000 0.228 642 S C 2.000 176.545 174.600 -0.093 0.000 0.995 642 S CA 1.087 59.213 58.200 -0.124 0.000 0.934 642 S CB -0.205 62.946 63.200 -0.081 0.000 0.771 642 S HN 1.367 nan 8.310 nan 0.000 0.522 643 G N 1.397 110.126 108.800 -0.118 0.000 2.153 643 G HA2 -0.348 3.610 3.960 -0.003 0.000 0.252 643 G HA3 -0.348 3.610 3.960 -0.003 0.000 0.252 643 G C 0.961 175.835 174.900 -0.043 0.000 0.994 643 G CA 0.962 46.016 45.100 -0.078 0.000 0.698 643 G HN 1.329 nan 8.290 nan 0.000 0.521 644 S N -0.793 114.893 115.700 -0.022 0.000 2.447 644 S HA 0.280 4.748 4.470 -0.003 0.000 0.233 644 S C 2.623 177.209 174.600 -0.025 0.000 1.006 644 S CA 1.657 59.852 58.200 -0.008 0.000 0.957 644 S CB -0.253 62.966 63.200 0.032 0.000 0.773 644 S HN 2.425 nan 8.310 nan 0.000 0.507 645 G N 0.130 108.919 108.800 -0.018 0.000 2.245 645 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.264 645 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.264 645 G C 0.885 175.741 174.900 -0.073 0.000 0.985 645 G CA 0.439 45.517 45.100 -0.036 0.000 0.625 645 G HN 0.716 nan 8.290 nan 0.000 0.536 646 V N -0.089 119.750 119.914 -0.124 0.000 2.343 646 V HA 0.121 4.240 4.120 -0.003 0.000 0.247 646 V C 1.455 177.269 176.094 -0.466 0.000 1.051 646 V CA 1.856 63.947 62.300 -0.348 0.000 1.036 646 V CB -0.481 31.002 31.823 -0.567 0.000 0.654 646 V HN 0.329 nan 8.190 nan 0.000 0.451 647 F N -0.163 119.777 119.950 -0.016 0.000 2.404 647 F HA 0.372 4.897 4.527 -0.003 0.000 0.339 647 F C 1.125 176.919 175.800 -0.010 0.000 1.105 647 F CA -0.398 57.609 58.000 0.011 0.000 1.087 647 F CB 1.292 40.308 39.000 0.027 0.000 1.143 647 F HN -0.233 nan 8.300 nan 0.000 0.491 648 K N 1.567 122.044 120.400 0.129 0.000 2.166 648 K HA 0.121 4.439 4.320 -0.003 0.000 0.201 648 K C -0.114 176.528 176.600 0.070 0.000 1.052 648 K CA 0.869 57.174 56.287 0.030 0.000 0.969 648 K CB 0.279 32.723 32.500 -0.093 0.000 0.761 648 K HN 0.801 nan 8.250 nan 0.000 0.459 649 c N -2.764 115.922 118.600 0.143 0.000 3.321 649 c HA 0.902 5.470 4.570 -0.003 0.000 0.329 649 c C -0.254 174.068 174.090 0.385 0.000 1.394 649 c CA -0.519 55.961 56.329 0.252 0.000 1.291 649 c CB 1.093 43.677 42.510 0.123 0.000 1.606 649 c HN 0.372 nan 8.230 nan 0.000 0.463 650 G N -0.078 109.039 108.800 0.528 0.000 2.601 650 G HA2 0.712 4.671 3.960 -0.003 0.000 0.291 650 G HA3 0.712 4.671 3.960 -0.003 0.000 0.291 650 G C -2.031 173.152 174.900 0.472 0.000 1.456 650 G CA -0.695 44.697 45.100 0.486 0.000 0.804 650 G HN 1.066 nan 8.290 nan 0.000 0.499 651 I N 0.501 121.317 120.570 0.410 0.000 2.499 651 I HA 0.620 4.788 4.170 -0.003 0.000 0.288 651 I C 0.045 176.324 176.117 0.270 0.000 1.048 651 I CA -1.020 60.403 61.300 0.205 0.000 1.062 651 I CB 2.218 40.332 38.000 0.191 0.000 1.238 651 I HN 0.688 nan 8.210 nan 0.000 0.426 652 A N 6.338 129.213 122.820 0.091 0.000 2.318 652 A HA 0.789 5.107 4.320 -0.003 0.000 0.317 652 A C -0.761 176.767 177.584 -0.094 0.000 1.159 652 A CA -0.522 51.567 52.037 0.088 0.000 0.799 652 A CB 1.285 20.392 19.000 0.179 0.000 1.194 652 A HN 0.442 nan 8.150 nan 0.000 0.479 653 V N 2.135 121.950 119.914 -0.165 0.000 2.384 653 V HA 0.562 4.680 4.120 -0.003 0.000 0.287 653 V C 0.964 176.702 176.094 -0.593 0.000 1.020 653 V CA 0.373 62.355 62.300 -0.528 0.000 0.850 653 V CB 0.756 31.942 31.823 -1.063 0.000 0.987 653 V HN 2.123 nan 8.190 nan 0.000 0.436 654 A N 5.556 128.007 122.820 -0.616 0.000 2.640 654 A HA -0.105 4.213 4.320 -0.003 0.000 0.300 654 A C -1.543 175.912 177.584 -0.215 0.000 1.499 654 A CA 0.496 52.079 52.037 -0.757 0.000 0.759 654 A CB -1.658 17.013 19.000 -0.548 0.000 1.048 654 A HN 0.636 nan 8.150 nan 0.000 0.450 655 P HA 0.386 nan 4.420 nan 0.000 0.274 655 P C 0.234 177.511 177.300 -0.039 0.000 1.237 655 P CA -0.088 63.006 63.100 -0.009 0.000 0.793 655 P CB 1.162 32.880 31.700 0.030 0.000 0.977 656 V N 2.010 121.802 119.914 -0.203 0.000 2.732 656 V HA 0.121 4.239 4.120 -0.003 0.000 0.297 656 V C 1.626 177.527 176.094 -0.321 0.000 1.060 656 V CA 0.873 62.895 62.300 -0.463 0.000 1.038 656 V CB 0.950 32.090 31.823 -1.140 0.000 1.003 656 V HN 0.852 nan 8.190 nan 0.000 0.481 657 S N 3.252 118.782 115.700 -0.284 0.000 2.631 657 S HA 0.262 4.730 4.470 -0.003 0.000 0.246 657 S C 0.376 174.804 174.600 -0.287 0.000 1.068 657 S CA -0.363 57.751 58.200 -0.143 0.000 0.995 657 S CB 0.337 63.516 63.200 -0.036 0.000 0.944 657 S HN 0.844 nan 8.310 nan 0.000 0.529 658 R N -1.048 119.149 120.500 -0.505 0.000 2.522 658 R HA 0.460 4.798 4.340 -0.003 0.000 0.273 658 R C -0.978 174.962 176.300 -0.599 0.000 1.133 658 R CA -0.821 54.925 56.100 -0.590 0.000 0.969 658 R CB -0.246 29.644 30.300 -0.683 0.000 1.235 658 R HN 0.113 nan 8.270 nan 0.000 0.433 659 W N 1.610 122.824 121.300 -0.144 0.000 2.421 659 W HA -0.023 4.636 4.660 -0.002 0.000 0.270 659 W C 1.146 177.808 176.519 0.238 0.000 1.233 659 W CA 0.879 58.239 57.345 0.024 0.000 1.226 659 W CB 0.235 29.636 29.460 -0.099 0.000 1.121 659 W HN 0.729 nan 8.180 nan 0.000 0.579 660 E N -1.044 119.318 120.200 0.270 0.000 2.409 660 E HA -0.186 4.163 4.350 -0.003 0.000 0.198 660 E C 1.235 177.972 176.600 0.229 0.000 1.024 660 E CA 0.745 57.245 56.400 0.166 0.000 0.861 660 E CB -0.179 29.501 29.700 -0.033 0.000 0.788 660 E HN 0.366 nan 8.360 nan 0.000 0.521 661 Y N -1.596 118.778 120.300 0.123 0.000 2.510 661 Y HA 0.063 4.612 4.550 -0.003 0.000 0.273 661 Y C 0.746 176.733 175.900 0.145 0.000 1.119 661 Y CA -0.286 57.858 58.100 0.074 0.000 1.286 661 Y CB -0.364 38.082 38.460 -0.024 0.000 1.061 661 Y HN 0.017 nan 8.280 nan 0.000 0.542 662 Y N 1.745 122.190 120.300 0.240 0.000 2.418 662 Y HA 0.296 4.844 4.550 -0.003 0.000 0.327 662 Y C 0.301 176.420 175.900 0.365 0.000 1.309 662 Y CA -1.940 56.310 58.100 0.250 0.000 1.423 662 Y CB 0.320 38.937 38.460 0.261 0.000 1.423 662 Y HN 0.171 nan 8.280 nan 0.000 0.532 663 D N -0.822 119.304 120.400 -0.457 0.000 2.344 663 D HA 0.136 4.774 4.640 -0.003 0.000 0.244 663 D C 0.894 177.202 176.300 0.014 0.000 1.134 663 D CA 0.258 54.099 54.000 -0.264 0.000 0.930 663 D CB 1.047 41.456 40.800 -0.651 0.000 1.175 663 D HN 0.476 nan 8.370 nan 0.000 0.437 664 S N 1.028 116.743 115.700 0.026 0.000 2.359 664 S HA -0.223 4.245 4.470 -0.003 0.000 0.224 664 S C 1.919 176.562 174.600 0.071 0.000 1.035 664 S CA 1.205 59.464 58.200 0.098 0.000 1.018 664 S CB -1.008 62.254 63.200 0.103 0.000 0.876 664 S HN 0.430 nan 8.310 nan 0.000 0.448 665 V N 0.608 120.502 119.914 -0.033 0.000 2.343 665 V HA -0.152 3.966 4.120 -0.003 0.000 0.247 665 V C 2.306 178.328 176.094 -0.121 0.000 1.051 665 V CA 2.143 64.337 62.300 -0.177 0.000 1.036 665 V CB -1.063 30.493 31.823 -0.444 0.000 0.654 665 V HN 0.602 nan 8.190 nan 0.000 0.451 666 Y N 1.261 121.511 120.300 -0.084 0.000 2.206 666 Y HA -0.166 4.382 4.550 -0.003 0.000 0.292 666 Y C 2.694 178.598 175.900 0.007 0.000 1.123 666 Y CA 2.116 60.234 58.100 0.030 0.000 1.142 666 Y CB -0.486 38.191 38.460 0.361 0.000 1.006 666 Y HN 0.208 nan 8.280 nan 0.000 0.518 667 T N 0.404 115.210 114.554 0.420 0.000 2.674 667 T HA -0.191 4.157 4.350 -0.003 0.000 0.265 667 T C 1.536 176.235 174.700 -0.002 0.000 1.039 667 T CA 1.945 64.225 62.100 0.301 0.000 1.150 667 T CB -0.328 68.865 68.868 0.541 0.000 0.864 667 T HN 0.420 nan 8.240 nan 0.000 0.427 668 E N 0.612 120.839 120.200 0.045 0.000 2.265 668 E HA -0.103 4.245 4.350 -0.003 0.000 0.196 668 E C 2.306 178.788 176.600 -0.197 0.000 0.996 668 E CA 0.467 56.873 56.400 0.009 0.000 0.832 668 E CB -0.123 29.629 29.700 0.086 0.000 0.756 668 E HN 0.322 nan 8.360 nan 0.000 0.491 669 R N 0.136 120.355 120.500 -0.468 0.000 2.091 669 R HA -0.189 4.149 4.340 -0.003 0.000 0.238 669 R C 1.244 176.999 176.300 -0.907 0.000 1.136 669 R CA 1.615 57.239 56.100 -0.793 0.000 0.959 669 R CB -0.016 29.454 30.300 -1.382 0.000 0.856 669 R HN 0.238 nan 8.270 nan 0.000 0.437 670 Y N -2.178 117.809 120.300 -0.521 0.000 2.481 670 Y HA 0.233 4.781 4.550 -0.003 0.000 0.258 670 Y C 1.503 177.217 175.900 -0.310 0.000 1.103 670 Y CA 0.012 57.807 58.100 -0.508 0.000 1.287 670 Y CB 0.486 38.523 38.460 -0.705 0.000 1.108 670 Y HN -0.032 nan 8.280 nan 0.000 0.529 671 M N -0.249 119.236 119.600 -0.192 0.000 2.313 671 M HA 0.370 4.849 4.480 -0.003 0.000 0.273 671 M C 1.060 177.369 176.300 0.015 0.000 1.049 671 M CA 0.622 55.806 55.300 -0.192 0.000 1.004 671 M CB -0.274 31.990 32.600 -0.560 0.000 1.461 671 M HN 0.336 nan 8.290 nan 0.000 0.514 672 G N 2.005 110.831 108.800 0.042 0.000 2.601 672 G HA2 -0.225 3.734 3.960 -0.003 0.000 0.261 672 G HA3 -0.225 3.734 3.960 -0.003 0.000 0.261 672 G C -0.693 174.343 174.900 0.228 0.000 1.289 672 G CA -0.706 44.459 45.100 0.109 0.000 0.920 672 G HN 0.265 nan 8.290 nan 0.000 0.571 673 L N 2.357 123.691 121.223 0.185 0.000 2.343 673 L HA 0.529 4.868 4.340 -0.003 0.000 0.275 673 L C -1.325 175.581 176.870 0.060 0.000 1.056 673 L CA -1.843 53.074 54.840 0.129 0.000 0.804 673 L CB 1.293 43.378 42.059 0.044 0.000 1.203 673 L HN 0.446 nan 8.230 nan 0.000 0.440 674 P HA 0.108 nan 4.420 nan 0.000 0.218 674 P C -0.784 176.382 177.300 -0.223 0.000 1.793 674 P CA -0.169 62.565 63.100 -0.609 0.000 0.941 674 P CB -0.410 30.615 31.700 -1.125 0.000 1.919 675 T N -2.620 111.889 114.554 -0.076 0.000 2.887 675 T HA 0.438 4.786 4.350 -0.003 0.000 0.288 675 T C -1.962 172.738 174.700 0.001 0.000 1.021 675 T CA -2.468 59.610 62.100 -0.036 0.000 1.000 675 T CB 1.974 70.830 68.868 -0.019 0.000 1.034 675 T HN -0.203 nan 8.240 nan 0.000 0.467 676 P HA -0.127 nan 4.420 nan 0.000 0.217 676 P C 0.832 178.147 177.300 0.025 0.000 1.148 676 P CA 1.263 64.373 63.100 0.018 0.000 0.828 676 P CB 0.176 31.883 31.700 0.011 0.000 0.783 677 E N -0.744 119.467 120.200 0.018 0.000 2.268 677 E HA -0.109 4.239 4.350 -0.003 0.000 0.195 677 E C 1.613 178.231 176.600 0.030 0.000 0.995 677 E CA 0.933 57.344 56.400 0.019 0.000 0.836 677 E CB -0.456 29.250 29.700 0.011 0.000 0.763 677 E HN 0.352 nan 8.360 nan 0.000 0.491 678 D N -0.557 119.868 120.400 0.041 0.000 2.838 678 D HA 0.087 4.726 4.640 -0.003 0.000 0.245 678 D C 0.305 176.660 176.300 0.093 0.000 1.424 678 D CA 0.152 54.188 54.000 0.061 0.000 1.214 678 D CB -0.046 40.794 40.800 0.067 0.000 0.937 678 D HN 0.014 nan 8.370 nan 0.000 0.232 679 N N -0.030 118.758 118.700 0.146 0.000 2.299 679 N HA 0.043 4.781 4.740 -0.003 0.000 0.246 679 N C 1.175 176.874 175.510 0.316 0.000 1.254 679 N CA -0.121 53.060 53.050 0.219 0.000 0.879 679 N CB 0.799 39.433 38.487 0.245 0.000 1.214 679 N HN 0.006 nan 8.380 nan 0.000 0.510 680 L N 1.055 122.390 121.223 0.186 0.000 2.079 680 L HA -0.127 4.211 4.340 -0.003 0.000 0.210 680 L C 1.455 178.426 176.870 0.167 0.000 1.081 680 L CA 1.947 56.869 54.840 0.137 0.000 0.752 680 L CB -0.410 41.663 42.059 0.023 0.000 0.896 680 L HN 0.156 nan 8.230 nan 0.000 0.433 681 D N -1.306 119.178 120.400 0.140 0.000 2.104 681 D HA -0.258 4.380 4.640 -0.003 0.000 0.194 681 D C 2.062 178.446 176.300 0.139 0.000 0.994 681 D CA 1.788 55.859 54.000 0.118 0.000 0.830 681 D CB -0.207 40.654 40.800 0.101 0.000 0.959 681 D HN 0.568 nan 8.370 nan 0.000 0.452 682 H N -0.788 118.347 119.070 0.109 0.000 2.457 682 H HA -0.081 4.474 4.556 -0.003 0.000 0.294 682 H C 1.735 177.133 175.328 0.117 0.000 1.064 682 H CA 1.234 57.327 56.048 0.074 0.000 1.330 682 H CB -0.311 29.459 29.762 0.013 0.000 1.395 682 H HN 0.166 nan 8.280 nan 0.000 0.541 683 Y N 0.213 120.476 120.300 -0.062 0.000 2.165 683 Y HA -0.167 4.381 4.550 -0.003 0.000 0.286 683 Y C 2.317 178.165 175.900 -0.087 0.000 1.155 683 Y CA 1.403 59.479 58.100 -0.041 0.000 1.164 683 Y CB 0.153 38.632 38.460 0.032 0.000 0.978 683 Y HN 0.129 nan 8.280 nan 0.000 0.513 684 R N -0.489 120.070 120.500 0.099 0.000 2.193 684 R HA -0.051 4.287 4.340 -0.003 0.000 0.213 684 R C 1.202 177.488 176.300 -0.023 0.000 1.055 684 R CA 0.739 56.853 56.100 0.024 0.000 0.995 684 R CB -0.584 29.733 30.300 0.027 0.000 0.893 684 R HN 0.312 nan 8.270 nan 0.000 0.459 685 N N 0.164 118.823 118.700 -0.067 0.000 2.353 685 N HA -0.046 4.692 4.740 -0.003 0.000 0.185 685 N C 0.254 175.707 175.510 -0.095 0.000 1.098 685 N CA 0.361 53.375 53.050 -0.061 0.000 0.872 685 N CB 0.404 38.883 38.487 -0.013 0.000 0.970 685 N HN 0.082 nan 8.380 nan 0.000 0.467 686 S N -1.467 114.139 115.700 -0.158 0.000 2.588 686 S HA 0.145 4.613 4.470 -0.003 0.000 0.245 686 S C 0.347 175.001 174.600 0.090 0.000 1.021 686 S CA -0.731 57.446 58.200 -0.038 0.000 1.006 686 S CB -0.614 62.508 63.200 -0.130 0.000 0.830 686 S HN 0.165 nan 8.310 nan 0.000 0.468 687 T N -1.525 113.034 114.554 0.009 0.000 2.913 687 T HA 0.516 4.864 4.350 -0.003 0.000 0.287 687 T C 1.298 176.003 174.700 0.008 0.000 1.008 687 T CA -0.617 61.471 62.100 -0.020 0.000 1.067 687 T CB 1.348 70.168 68.868 -0.079 0.000 0.996 687 T HN -0.038 nan 8.240 nan 0.000 0.513 688 V N 1.743 121.659 119.914 0.002 0.000 2.453 688 V HA -0.113 4.005 4.120 -0.003 0.000 0.247 688 V C 2.597 178.673 176.094 -0.030 0.000 1.048 688 V CA 1.546 63.840 62.300 -0.009 0.000 1.049 688 V CB -0.924 30.885 31.823 -0.023 0.000 0.672 688 V HN 0.816 nan 8.190 nan 0.000 0.457 689 M N 1.123 120.687 119.600 -0.060 0.000 2.149 689 M HA -0.165 4.313 4.480 -0.003 0.000 0.261 689 M C 2.334 178.613 176.300 -0.034 0.000 1.064 689 M CA 2.137 57.395 55.300 -0.069 0.000 1.102 689 M CB -1.039 31.526 32.600 -0.059 0.000 1.369 689 M HN 0.528 nan 8.290 nan 0.000 0.408 690 S N -0.454 115.235 115.700 -0.018 0.000 2.500 690 S HA -0.095 4.373 4.470 -0.003 0.000 0.239 690 S C 1.766 176.375 174.600 0.015 0.000 0.989 690 S CA 0.790 58.988 58.200 -0.004 0.000 0.951 690 S CB -0.408 62.788 63.200 -0.006 0.000 0.759 690 S HN 0.519 nan 8.310 nan 0.000 0.523 691 R N 0.381 120.905 120.500 0.041 0.000 2.427 691 R HA 0.501 4.839 4.340 -0.003 0.000 0.262 691 R C 2.143 178.557 176.300 0.190 0.000 0.943 691 R CA 0.439 56.591 56.100 0.087 0.000 1.081 691 R CB -0.245 30.106 30.300 0.085 0.000 1.166 691 R HN 0.440 nan 8.270 nan 0.000 0.534 692 A N 1.536 124.418 122.820 0.103 0.000 1.896 692 A HA -0.333 3.985 4.320 -0.003 0.000 0.220 692 A C 2.022 179.712 177.584 0.177 0.000 1.206 692 A CA 2.145 54.223 52.037 0.069 0.000 0.647 692 A CB -0.390 18.585 19.000 -0.041 0.000 0.828 692 A HN 0.308 nan 8.150 nan 0.000 0.455 693 E N 0.536 120.798 120.200 0.103 0.000 2.114 693 E HA -0.218 4.131 4.350 -0.003 0.000 0.199 693 E C 1.546 178.201 176.600 0.092 0.000 1.008 693 E CA 2.070 58.521 56.400 0.084 0.000 0.810 693 E CB -0.625 29.104 29.700 0.047 0.000 0.739 693 E HN 0.818 nan 8.360 nan 0.000 0.456 694 N N -1.193 117.549 118.700 0.070 0.000 2.571 694 N HA -0.053 4.686 4.740 -0.003 0.000 0.189 694 N C 0.732 176.185 175.510 -0.095 0.000 1.154 694 N CA 0.114 53.147 53.050 -0.029 0.000 0.907 694 N CB -0.115 38.310 38.487 -0.104 0.000 0.977 694 N HN 0.150 nan 8.380 nan 0.000 0.449 695 F N 1.225 121.130 119.950 -0.074 0.000 2.748 695 F HA 0.077 4.602 4.527 -0.003 0.000 0.299 695 F C 1.913 177.711 175.800 -0.003 0.000 1.154 695 F CA 0.499 58.450 58.000 -0.083 0.000 1.446 695 F CB 0.132 39.044 39.000 -0.146 0.000 1.112 695 F HN -0.087 nan 8.300 nan 0.000 0.584 696 K N -0.068 120.420 120.400 0.146 0.000 2.280 696 K HA -0.159 4.160 4.320 -0.003 0.000 0.202 696 K C 1.688 178.334 176.600 0.076 0.000 1.047 696 K CA 0.879 57.234 56.287 0.114 0.000 0.942 696 K CB -0.045 32.504 32.500 0.080 0.000 0.739 696 K HN 0.258 nan 8.250 nan 0.000 0.457 697 Q N 0.017 119.836 119.800 0.032 0.000 2.425 697 Q HA 0.025 4.363 4.340 -0.003 0.000 0.204 697 Q C 0.789 176.802 176.000 0.021 0.000 0.933 697 Q CA 0.387 56.197 55.803 0.011 0.000 0.939 697 Q CB 0.280 29.004 28.738 -0.024 0.000 1.044 697 Q HN 0.211 nan 8.270 nan 0.000 0.513 698 V N -3.063 116.879 119.914 0.046 0.000 3.160 698 V HA 0.526 4.644 4.120 -0.003 0.000 0.310 698 V C -0.957 175.254 176.094 0.196 0.000 1.181 698 V CA -1.288 61.063 62.300 0.085 0.000 1.047 698 V CB 2.454 34.293 31.823 0.027 0.000 1.068 698 V HN -0.068 nan 8.190 nan 0.000 0.441 699 E N 1.419 121.761 120.200 0.237 0.000 2.146 699 E HA 0.429 4.778 4.350 -0.003 0.000 0.282 699 E C -1.908 175.061 176.600 0.616 0.000 0.989 699 E CA -0.359 56.264 56.400 0.372 0.000 0.799 699 E CB 1.645 31.485 29.700 0.235 0.000 1.088 699 E HN 0.676 nan 8.360 nan 0.000 0.397 700 Y N 3.744 124.310 120.300 0.442 0.000 2.376 700 Y HA 0.406 4.954 4.550 -0.002 0.000 0.340 700 Y C -1.491 174.499 175.900 0.149 0.000 0.965 700 Y CA -1.144 57.159 58.100 0.339 0.000 1.078 700 Y CB 0.928 39.613 38.460 0.375 0.000 1.193 700 Y HN 0.423 nan 8.280 nan 0.000 0.452 701 L N 7.989 128.996 121.223 -0.360 0.000 2.325 701 L HA 0.509 4.847 4.340 -0.003 0.000 0.281 701 L C -1.656 174.804 176.870 -0.684 0.000 1.004 701 L CA -0.815 53.648 54.840 -0.630 0.000 0.823 701 L CB 1.241 42.632 42.059 -1.113 0.000 1.236 701 L HN 0.681 nan 8.230 nan 0.000 0.415 702 L N 6.523 127.419 121.223 -0.544 0.000 2.305 702 L HA 0.585 4.923 4.340 -0.003 0.000 0.284 702 L C -0.956 175.802 176.870 -0.186 0.000 1.013 702 L CA -0.503 54.045 54.840 -0.486 0.000 0.819 702 L CB 1.694 43.494 42.059 -0.433 0.000 1.227 702 L HN 0.604 nan 8.230 nan 0.000 0.417 703 I N 4.078 124.554 120.570 -0.156 0.000 2.545 703 I HA 0.480 4.648 4.170 -0.003 0.000 0.292 703 I C -0.951 175.170 176.117 0.007 0.000 1.040 703 I CA -0.703 60.565 61.300 -0.052 0.000 1.068 703 I CB 2.008 39.938 38.000 -0.116 0.000 1.251 703 I HN 0.525 nan 8.210 nan 0.000 0.424 704 H N 3.093 122.233 119.070 0.116 0.000 3.085 704 H HA 0.424 4.978 4.556 -0.003 0.000 0.356 704 H C -0.821 174.741 175.328 0.390 0.000 1.178 704 H CA -0.535 55.627 56.048 0.191 0.000 1.214 704 H CB 2.506 32.355 29.762 0.145 0.000 1.881 704 H HN 0.746 nan 8.280 nan 0.000 0.538 705 G N 0.892 110.054 108.800 0.603 0.000 2.390 705 G HA2 0.232 4.190 3.960 -0.003 0.000 0.270 705 G HA3 0.232 4.190 3.960 -0.003 0.000 0.270 705 G C 1.105 176.273 174.900 0.445 0.000 1.211 705 G CA 0.184 45.581 45.100 0.496 0.000 0.842 705 G HN 0.656 nan 8.290 nan 0.000 0.519 706 T N -0.858 113.795 114.554 0.165 0.000 3.007 706 T HA 0.079 4.428 4.350 -0.003 0.000 0.270 706 T C 1.611 176.292 174.700 -0.032 0.000 1.107 706 T CA 1.295 63.295 62.100 -0.166 0.000 1.118 706 T CB 0.147 68.852 68.868 -0.272 0.000 0.889 706 T HN 0.715 nan 8.240 nan 0.000 0.506 707 A N 0.970 123.853 122.820 0.105 0.000 2.708 707 A HA 0.320 4.638 4.320 -0.003 0.000 0.293 707 A C 0.310 177.884 177.584 -0.017 0.000 1.303 707 A CA -0.545 51.540 52.037 0.080 0.000 0.949 707 A CB -0.223 19.083 19.000 0.509 0.000 1.121 707 A HN 0.392 nan 8.150 nan 0.000 0.542 708 D N 1.499 121.907 120.400 0.014 0.000 2.346 708 D HA 0.000 4.639 4.640 -0.003 0.000 0.260 708 D C 0.212 176.489 176.300 -0.039 0.000 1.252 708 D CA 0.162 54.268 54.000 0.178 0.000 0.895 708 D CB 0.778 41.853 40.800 0.457 0.000 1.097 708 D HN 0.565 nan 8.370 nan 0.000 0.489 709 D N 2.372 122.816 120.400 0.074 0.000 2.349 709 D HA -0.118 4.520 4.640 -0.003 0.000 0.215 709 D C 0.894 177.202 176.300 0.012 0.000 1.016 709 D CA -0.121 53.879 54.000 -0.000 0.000 0.870 709 D CB 0.472 41.249 40.800 -0.037 0.000 0.917 709 D HN 0.221 nan 8.370 nan 0.000 0.524 710 N N 0.791 119.567 118.700 0.126 0.000 2.418 710 N HA -0.037 4.702 4.740 -0.003 0.000 0.199 710 N C -0.081 175.372 175.510 -0.095 0.000 1.044 710 N CA 0.474 53.623 53.050 0.166 0.000 0.943 710 N CB 0.561 39.142 38.487 0.157 0.000 1.154 710 N HN -0.111 nan 8.380 nan 0.000 0.467 711 V N 3.112 122.966 119.914 -0.100 0.000 2.304 711 V HA 0.223 4.341 4.120 -0.003 0.000 0.269 711 V C -0.538 175.594 176.094 0.063 0.000 1.036 711 V CA -0.471 61.823 62.300 -0.011 0.000 0.840 711 V CB -0.236 31.638 31.823 0.085 0.000 1.036 711 V HN 0.286 nan 8.190 nan 0.000 0.466 712 H N 3.280 122.330 119.070 -0.033 0.000 2.871 712 H HA -0.005 4.549 4.556 -0.003 0.000 0.355 712 H C 0.810 175.977 175.328 -0.267 0.000 1.092 712 H CA -0.090 55.851 56.048 -0.178 0.000 1.420 712 H CB 0.742 30.309 29.762 -0.324 0.000 1.400 712 H HN 0.617 nan 8.280 nan 0.000 0.604 713 F N 1.984 121.709 119.950 -0.375 0.000 2.184 713 F HA -0.322 4.203 4.527 -0.003 0.000 0.301 713 F C 2.566 178.073 175.800 -0.489 0.000 1.076 713 F CA 1.900 59.477 58.000 -0.704 0.000 1.295 713 F CB -0.259 38.535 39.000 -0.344 0.000 1.026 713 F HN 0.673 nan 8.300 nan 0.000 0.494 714 Q N 0.097 119.733 119.800 -0.273 0.000 2.156 714 Q HA -0.325 4.013 4.340 -0.003 0.000 0.211 714 Q C 2.115 177.856 176.000 -0.431 0.000 0.995 714 Q CA 2.383 57.976 55.803 -0.351 0.000 0.877 714 Q CB -0.342 28.169 28.738 -0.377 0.000 0.920 714 Q HN 0.599 nan 8.270 nan 0.000 0.416 715 Q N -0.406 119.185 119.800 -0.347 0.000 2.061 715 Q HA -0.125 4.213 4.340 -0.003 0.000 0.204 715 Q C 2.272 178.164 176.000 -0.180 0.000 0.984 715 Q CA 1.749 57.472 55.803 -0.134 0.000 0.846 715 Q CB -0.127 28.613 28.738 0.003 0.000 0.902 715 Q HN 0.333 nan 8.270 nan 0.000 0.421 716 S N 0.612 116.102 115.700 -0.350 0.000 2.406 716 S HA -0.008 4.460 4.470 -0.003 0.000 0.228 716 S C 2.004 176.332 174.600 -0.454 0.000 1.020 716 S CA 0.711 58.703 58.200 -0.346 0.000 0.965 716 S CB -0.073 62.932 63.200 -0.326 0.000 0.798 716 S HN 0.462 nan 8.310 nan 0.000 0.488 717 A N 1.134 123.567 122.820 -0.644 0.000 2.019 717 A HA -0.111 4.208 4.320 -0.003 0.000 0.219 717 A C 2.104 179.560 177.584 -0.214 0.000 1.164 717 A CA 1.077 52.860 52.037 -0.424 0.000 0.644 717 A CB -0.314 18.474 19.000 -0.352 0.000 0.805 717 A HN 0.352 nan 8.150 nan 0.000 0.449 718 Q N -0.604 119.088 119.800 -0.181 0.000 2.212 718 Q HA 0.073 4.411 4.340 -0.003 0.000 0.199 718 Q C 2.082 178.024 176.000 -0.097 0.000 0.950 718 Q CA 0.785 56.542 55.803 -0.076 0.000 0.863 718 Q CB -0.217 28.556 28.738 0.057 0.000 0.944 718 Q HN 0.774 nan 8.270 nan 0.000 0.465 719 I N 1.124 121.608 120.570 -0.143 0.000 2.163 719 I HA -0.284 3.884 4.170 -0.003 0.000 0.240 719 I C 2.583 178.527 176.117 -0.288 0.000 1.081 719 I CA 1.484 62.658 61.300 -0.210 0.000 1.353 719 I CB -0.468 37.407 38.000 -0.207 0.000 1.054 719 I HN 0.179 nan 8.210 nan 0.000 0.407 720 S N 1.046 116.590 115.700 -0.260 0.000 2.370 720 S HA -0.308 4.161 4.470 -0.003 0.000 0.226 720 S C 2.066 176.629 174.600 -0.062 0.000 1.033 720 S CA 1.711 59.794 58.200 -0.194 0.000 1.011 720 S CB -0.497 62.735 63.200 0.054 0.000 0.852 720 S HN 0.378 nan 8.310 nan 0.000 0.457 721 K N 1.505 121.871 120.400 -0.056 0.000 2.097 721 K HA 0.068 4.386 4.320 -0.003 0.000 0.206 721 K C 2.230 178.808 176.600 -0.036 0.000 1.049 721 K CA 1.096 57.371 56.287 -0.021 0.000 0.933 721 K CB -0.630 31.855 32.500 -0.025 0.000 0.717 721 K HN 0.484 nan 8.250 nan 0.000 0.442 722 A N 0.818 123.588 122.820 -0.083 0.000 1.968 722 A HA -0.045 4.273 4.320 -0.003 0.000 0.217 722 A C 2.024 179.552 177.584 -0.093 0.000 1.169 722 A CA 0.943 52.932 52.037 -0.081 0.000 0.638 722 A CB -0.427 18.512 19.000 -0.101 0.000 0.812 722 A HN 0.293 nan 8.150 nan 0.000 0.446 723 L N -0.705 120.419 121.223 -0.165 0.000 2.027 723 L HA -0.139 4.199 4.340 -0.003 0.000 0.206 723 L C 2.530 179.423 176.870 0.039 0.000 1.074 723 L CA 1.001 55.754 54.840 -0.144 0.000 0.745 723 L CB -0.553 41.263 42.059 -0.405 0.000 0.898 723 L HN 0.233 nan 8.230 nan 0.000 0.433 724 V N -0.118 119.853 119.914 0.095 0.000 2.343 724 V HA -0.304 3.814 4.120 -0.003 0.000 0.247 724 V C 2.060 178.194 176.094 0.065 0.000 1.051 724 V CA 1.910 64.285 62.300 0.125 0.000 1.036 724 V CB -0.528 31.366 31.823 0.119 0.000 0.654 724 V HN 0.443 nan 8.190 nan 0.000 0.451 725 D N 0.289 120.710 120.400 0.034 0.000 2.221 725 D HA -0.114 4.524 4.640 -0.003 0.000 0.204 725 D C 1.758 178.073 176.300 0.026 0.000 0.982 725 D CA 1.730 55.744 54.000 0.023 0.000 0.857 725 D CB -0.120 40.686 40.800 0.009 0.000 0.934 725 D HN 0.567 nan 8.370 nan 0.000 0.475 726 V N -3.632 116.299 119.914 0.029 0.000 3.444 726 V HA 0.490 4.608 4.120 -0.003 0.000 0.308 726 V C 1.228 177.354 176.094 0.053 0.000 1.371 726 V CA 0.242 62.563 62.300 0.036 0.000 1.141 726 V CB -0.126 31.717 31.823 0.033 0.000 1.037 726 V HN 0.138 nan 8.190 nan 0.000 0.433 727 G N 0.592 109.431 108.800 0.065 0.000 2.246 727 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.273 727 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.273 727 G C -0.085 174.878 174.900 0.104 0.000 1.055 727 G CA 0.274 45.421 45.100 0.078 0.000 0.851 727 G HN 0.867 nan 8.290 nan 0.000 0.500 728 V N 0.322 120.320 119.914 0.140 0.000 2.394 728 V HA 0.469 4.588 4.120 -0.003 0.000 0.282 728 V C 0.452 176.723 176.094 0.295 0.000 1.031 728 V CA -0.567 61.846 62.300 0.189 0.000 0.881 728 V CB 1.753 33.684 31.823 0.180 0.000 0.982 728 V HN 0.442 nan 8.190 nan 0.000 0.451 729 D N 3.742 124.291 120.400 0.248 0.000 2.304 729 D HA 0.611 5.249 4.640 -0.003 0.000 0.247 729 D C -0.573 175.965 176.300 0.397 0.000 1.089 729 D CA 0.151 54.288 54.000 0.229 0.000 0.910 729 D CB 0.858 41.726 40.800 0.114 0.000 1.199 729 D HN 0.374 nan 8.370 nan 0.000 0.426 730 F N -0.459 119.566 119.950 0.126 0.000 2.817 730 F HA 0.467 4.994 4.527 -0.001 0.000 0.317 730 F C -1.534 174.326 175.800 0.100 0.000 1.168 730 F CA -1.127 56.971 58.000 0.164 0.000 0.911 730 F CB 0.720 39.843 39.000 0.206 0.000 1.337 730 F HN 0.090 nan 8.300 nan 0.000 0.464 731 Q N 1.279 121.169 119.800 0.150 0.000 2.266 731 Q HA 0.839 5.177 4.340 -0.003 0.000 0.261 731 Q C -0.855 175.153 176.000 0.013 0.000 0.985 731 Q CA -0.770 55.028 55.803 -0.008 0.000 0.873 731 Q CB 2.122 30.896 28.738 0.059 0.000 1.306 731 Q HN 1.066 nan 8.270 nan 0.000 0.447 732 A N 1.544 124.342 122.820 -0.037 0.000 2.566 732 A HA 0.859 5.177 4.320 -0.003 0.000 0.292 732 A C -1.428 176.131 177.584 -0.043 0.000 1.112 732 A CA -0.557 51.495 52.037 0.026 0.000 0.707 732 A CB 1.982 21.049 19.000 0.111 0.000 1.302 732 A HN 0.602 nan 8.150 nan 0.000 0.409 733 M N 1.238 120.799 119.600 -0.066 0.000 2.265 733 M HA 0.536 5.014 4.480 -0.003 0.000 0.262 733 M C -1.986 174.187 176.300 -0.212 0.000 1.026 733 M CA -0.566 54.544 55.300 -0.316 0.000 0.987 733 M CB 0.979 33.313 32.600 -0.444 0.000 1.937 733 M HN 0.977 nan 8.290 nan 0.000 0.481 734 W N 4.383 125.533 121.300 -0.250 0.000 2.448 734 W HA 0.770 5.428 4.660 -0.003 0.000 0.339 734 W C -1.939 174.315 176.519 -0.442 0.000 1.124 734 W CA -0.817 56.457 57.345 -0.118 0.000 1.262 734 W CB 0.353 29.777 29.460 -0.059 0.000 1.251 734 W HN 0.627 nan 8.180 nan 0.000 0.597 735 Y N 2.445 122.848 120.300 0.173 0.000 2.388 735 Y HA 0.284 4.833 4.550 -0.003 0.000 0.328 735 Y C 0.519 176.517 175.900 0.163 0.000 0.963 735 Y CA -0.986 57.135 58.100 0.035 0.000 1.240 735 Y CB 1.466 39.935 38.460 0.015 0.000 1.118 735 Y HN 0.415 nan 8.280 nan 0.000 0.484 736 T N 4.561 119.274 114.554 0.265 0.000 2.871 736 T HA -0.044 4.304 4.350 -0.003 0.000 0.296 736 T C 0.202 174.979 174.700 0.127 0.000 0.998 736 T CA 0.634 62.850 62.100 0.193 0.000 1.162 736 T CB -0.115 68.809 68.868 0.093 0.000 0.947 736 T HN 0.717 nan 8.240 nan 0.000 0.536 737 D N 0.864 121.313 120.400 0.082 0.000 3.077 737 D HA -0.125 4.513 4.640 -0.003 0.000 0.217 737 D C 0.286 176.714 176.300 0.212 0.000 1.162 737 D CA 1.145 55.134 54.000 -0.018 0.000 0.943 737 D CB -0.376 40.221 40.800 -0.338 0.000 1.122 737 D HN 0.567 nan 8.370 nan 0.000 0.413 738 E N 0.815 121.162 120.200 0.245 0.000 2.283 738 E HA 0.349 4.697 4.350 -0.003 0.000 0.271 738 E C 0.767 177.555 176.600 0.314 0.000 1.031 738 E CA -0.324 56.239 56.400 0.272 0.000 0.868 738 E CB 1.266 31.111 29.700 0.241 0.000 1.094 738 E HN 0.325 nan 8.360 nan 0.000 0.401 739 D N -0.564 120.034 120.400 0.330 0.000 2.541 739 D HA 0.004 4.642 4.640 -0.003 0.000 0.276 739 D C 1.031 177.573 176.300 0.403 0.000 1.190 739 D CA -0.216 54.005 54.000 0.369 0.000 1.095 739 D CB -0.208 40.836 40.800 0.406 0.000 1.173 739 D HN 0.394 nan 8.370 nan 0.000 0.604 740 H N -1.669 117.593 119.070 0.321 0.000 2.518 740 H HA 0.121 4.676 4.556 -0.003 0.000 0.289 740 H C 1.811 177.406 175.328 0.445 0.000 1.051 740 H CA 1.901 58.161 56.048 0.353 0.000 1.280 740 H CB -0.316 29.643 29.762 0.328 0.000 1.380 740 H HN 0.488 nan 8.280 nan 0.000 0.566 741 G N -0.481 108.528 108.800 0.348 0.000 2.838 741 G HA2 0.029 3.988 3.960 -0.003 0.000 0.210 741 G HA3 0.029 3.988 3.960 -0.003 0.000 0.210 741 G C 0.703 175.818 174.900 0.359 0.000 1.153 741 G CA 0.215 45.457 45.100 0.237 0.000 0.778 741 G HN 0.495 nan 8.290 nan 0.000 0.539 742 I N 0.255 121.039 120.570 0.357 0.000 3.906 742 I HA -0.346 3.822 4.170 -0.003 0.000 0.126 742 I C 1.699 177.956 176.117 0.234 0.000 1.081 742 I CA 0.171 61.618 61.300 0.244 0.000 2.733 742 I CB -1.093 37.005 38.000 0.163 0.000 1.518 742 I HN 0.265 nan 8.210 nan 0.000 0.341 743 A N 0.924 123.857 122.820 0.189 0.000 2.308 743 A HA 0.217 4.535 4.320 -0.003 0.000 0.217 743 A C 1.242 178.876 177.584 0.084 0.000 1.216 743 A CA 0.589 52.699 52.037 0.121 0.000 0.864 743 A CB 0.072 19.115 19.000 0.071 0.000 0.902 743 A HN 0.644 nan 8.150 nan 0.000 0.499 744 S N -0.284 115.479 115.700 0.104 0.000 2.568 744 S HA 0.147 4.616 4.470 -0.003 0.000 0.282 744 S C 1.220 175.868 174.600 0.079 0.000 1.338 744 S CA 0.356 58.607 58.200 0.085 0.000 1.045 744 S CB 1.063 64.321 63.200 0.096 0.000 0.873 744 S HN 0.513 nan 8.310 nan 0.000 0.516 745 S N 2.425 118.156 115.700 0.053 0.000 2.372 745 S HA -0.215 4.253 4.470 -0.003 0.000 0.227 745 S C 2.070 176.721 174.600 0.085 0.000 1.044 745 S CA 2.480 60.712 58.200 0.053 0.000 1.050 745 S CB -1.574 61.640 63.200 0.024 0.000 0.901 745 S HN 1.079 nan 8.310 nan 0.000 0.447 746 T N -0.640 113.956 114.554 0.070 0.000 2.857 746 T HA 0.250 4.598 4.350 -0.003 0.000 0.266 746 T C 1.974 176.726 174.700 0.086 0.000 1.048 746 T CA 1.196 63.340 62.100 0.074 0.000 1.139 746 T CB -0.838 68.064 68.868 0.056 0.000 0.874 746 T HN 0.466 nan 8.240 nan 0.000 0.455 747 A N 1.363 124.216 122.820 0.054 0.000 1.930 747 A HA -0.048 4.270 4.320 -0.003 0.000 0.217 747 A C 2.170 179.711 177.584 -0.072 0.000 1.175 747 A CA 1.872 53.876 52.037 -0.054 0.000 0.627 747 A CB -1.181 17.744 19.000 -0.124 0.000 0.815 747 A HN 0.775 nan 8.150 nan 0.000 0.443 748 H N -0.119 118.935 119.070 -0.027 0.000 2.353 748 H HA -0.134 4.421 4.556 -0.003 0.000 0.300 748 H C 2.072 177.471 175.328 0.118 0.000 1.090 748 H CA 2.318 58.408 56.048 0.070 0.000 1.327 748 H CB -0.170 29.642 29.762 0.084 0.000 1.383 748 H HN 0.568 nan 8.280 nan 0.000 0.508 749 Q N -0.961 118.861 119.800 0.036 0.000 2.079 749 Q HA -0.177 4.162 4.340 -0.003 0.000 0.200 749 Q C 2.194 178.182 176.000 -0.020 0.000 0.974 749 Q CA 1.259 57.038 55.803 -0.040 0.000 0.840 749 Q CB -0.179 28.571 28.738 0.020 0.000 0.898 749 Q HN 0.645 nan 8.270 nan 0.000 0.430 750 H N 0.778 119.817 119.070 -0.051 0.000 2.357 750 H HA -0.076 4.478 4.556 -0.004 0.000 0.301 750 H C 2.046 177.356 175.328 -0.030 0.000 1.082 750 H CA 1.291 57.336 56.048 -0.005 0.000 1.342 750 H CB 0.005 29.816 29.762 0.081 0.000 1.389 750 H HN 0.272 nan 8.280 nan 0.000 0.511 751 I N 0.136 120.654 120.570 -0.087 0.000 2.179 751 I HA -0.326 3.842 4.170 -0.003 0.000 0.242 751 I C 1.793 177.670 176.117 -0.400 0.000 1.088 751 I CA 1.264 62.425 61.300 -0.232 0.000 1.357 751 I CB -0.279 37.392 38.000 -0.548 0.000 1.051 751 I HN 0.137 nan 8.210 nan 0.000 0.409 752 Y N 0.963 121.044 120.300 -0.364 0.000 2.352 752 Y HA -0.199 4.349 4.550 -0.003 0.000 0.292 752 Y C 2.691 178.374 175.900 -0.362 0.000 1.136 752 Y CA 1.795 59.573 58.100 -0.536 0.000 1.227 752 Y CB -0.814 37.321 38.460 -0.543 0.000 0.991 752 Y HN 0.176 nan 8.280 nan 0.000 0.545 753 T N -1.807 112.655 114.554 -0.153 0.000 2.770 753 T HA -0.206 4.142 4.350 -0.003 0.000 0.263 753 T C 1.558 176.112 174.700 -0.244 0.000 1.039 753 T CA 1.783 63.748 62.100 -0.224 0.000 1.142 753 T CB -0.418 68.323 68.868 -0.211 0.000 0.868 753 T HN 0.393 nan 8.240 nan 0.000 0.435 754 H N 0.836 119.769 119.070 -0.229 0.000 2.353 754 H HA 0.138 4.691 4.556 -0.004 0.000 0.300 754 H C 2.165 177.490 175.328 -0.004 0.000 1.090 754 H CA 1.505 57.511 56.048 -0.070 0.000 1.327 754 H CB -0.249 29.466 29.762 -0.080 0.000 1.383 754 H HN 0.237 nan 8.280 nan 0.000 0.508 755 M N -0.884 118.670 119.600 -0.078 0.000 2.175 755 M HA -0.154 4.324 4.480 -0.003 0.000 0.264 755 M C 2.381 178.813 176.300 0.220 0.000 1.063 755 M CA 1.453 56.710 55.300 -0.071 0.000 1.119 755 M CB 0.073 32.388 32.600 -0.475 0.000 1.377 755 M HN 0.200 nan 8.290 nan 0.000 0.415 756 S N -0.700 115.130 115.700 0.216 0.000 2.368 756 S HA -0.146 4.322 4.470 -0.003 0.000 0.225 756 S C 1.681 176.423 174.600 0.237 0.000 1.030 756 S CA 0.966 59.406 58.200 0.399 0.000 0.999 756 S CB -0.549 62.856 63.200 0.342 0.000 0.844 756 S HN 0.465 nan 8.310 nan 0.000 0.459 757 H N -0.110 119.060 119.070 0.166 0.000 2.352 757 H HA -0.047 4.508 4.556 -0.001 0.000 0.299 757 H C 1.951 177.349 175.328 0.117 0.000 1.097 757 H CA 1.281 57.387 56.048 0.097 0.000 1.311 757 H CB -0.696 29.067 29.762 0.003 0.000 1.377 757 H HN 0.457 nan 8.280 nan 0.000 0.504 758 F N 1.148 121.152 119.950 0.091 0.000 2.113 758 F HA -0.161 4.364 4.527 -0.004 0.000 0.297 758 F C 2.270 178.173 175.800 0.171 0.000 1.103 758 F CA 0.819 58.858 58.000 0.065 0.000 1.248 758 F CB -0.227 38.775 39.000 0.003 0.000 0.999 758 F HN -0.050 nan 8.300 nan 0.000 0.475 759 I N 1.358 122.171 120.570 0.406 0.000 2.226 759 I HA -0.266 3.902 4.170 -0.003 0.000 0.245 759 I C 2.204 178.584 176.117 0.438 0.000 1.100 759 I CA 1.418 62.994 61.300 0.460 0.000 1.374 759 I CB -1.295 36.980 38.000 0.458 0.000 1.057 759 I HN 0.255 nan 8.210 nan 0.000 0.413 760 K N 0.525 121.091 120.400 0.277 0.000 2.097 760 K HA -0.207 4.111 4.320 -0.003 0.000 0.205 760 K C 1.906 178.590 176.600 0.141 0.000 1.050 760 K CA 0.877 57.298 56.287 0.223 0.000 0.938 760 K CB -0.555 32.050 32.500 0.175 0.000 0.718 760 K HN 0.380 nan 8.250 nan 0.000 0.442 761 Q N 1.810 121.639 119.800 0.048 0.000 2.061 761 Q HA -0.192 4.146 4.340 -0.003 0.000 0.204 761 Q C 2.201 178.115 176.000 -0.144 0.000 0.984 761 Q CA 1.795 57.567 55.803 -0.051 0.000 0.846 761 Q CB -0.520 28.162 28.738 -0.093 0.000 0.902 761 Q HN 0.401 nan 8.270 nan 0.000 0.421 762 c N -0.022 118.406 118.600 -0.286 0.000 2.422 762 c HA -0.049 4.519 4.570 -0.003 0.000 0.279 762 c C 1.657 175.461 174.090 -0.476 0.000 1.305 762 c CA 0.266 56.316 56.329 -0.464 0.000 1.757 762 c CB -1.186 40.905 42.510 -0.698 0.000 1.962 762 c HN 0.497 nan 8.230 nan 0.000 0.499 763 F N 1.717 121.634 119.950 -0.055 0.000 2.837 763 F HA 0.345 4.870 4.527 -0.004 0.000 0.298 763 F C 1.161 176.951 175.800 -0.017 0.000 1.161 763 F CA 0.096 58.085 58.000 -0.019 0.000 1.353 763 F CB -0.677 38.321 39.000 -0.004 0.000 0.951 763 F HN 0.069 nan 8.300 nan 0.000 0.508 764 S N 0.000 115.748 115.700 0.079 0.000 2.498 764 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 764 S CA 0.000 58.231 58.200 0.051 0.000 1.107 764 S CB 0.000 63.219 63.200 0.032 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517