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 2qky_1_D DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 IKQcFSLP 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.738 174.700 0.064 0.000 1.109 39 T CA 0.000 62.132 62.100 0.053 0.000 1.349 39 T CB 0.000 68.907 68.868 0.066 0.000 0.612 40 R N 0.926 121.474 120.500 0.080 0.000 2.707 40 R HA 0.478 4.818 4.340 -0.000 0.000 0.270 40 R C 0.258 176.609 176.300 0.086 0.000 1.083 40 R CA -0.733 55.413 56.100 0.078 0.000 1.182 40 R CB 0.406 30.750 30.300 0.073 0.000 1.084 40 R HN 0.502 nan 8.270 nan 0.000 0.528 41 K N 0.769 121.223 120.400 0.090 0.000 2.230 41 K HA 0.047 4.367 4.320 -0.000 0.000 0.253 41 K C 0.570 177.240 176.600 0.117 0.000 1.008 41 K CA 0.097 56.446 56.287 0.104 0.000 0.910 41 K CB 0.592 33.166 32.500 0.124 0.000 0.994 41 K HN 0.662 nan 8.250 nan 0.000 0.495 42 T N -2.185 112.448 114.554 0.133 0.000 2.937 42 T HA 0.186 4.536 4.350 -0.000 0.000 0.283 42 T C -0.722 174.111 174.700 0.222 0.000 1.012 42 T CA -0.709 61.486 62.100 0.158 0.000 0.997 42 T CB 0.497 69.452 68.868 0.145 0.000 1.136 42 T HN 0.440 nan 8.240 nan 0.000 0.551 43 Y N 2.387 122.757 120.300 0.116 0.000 2.452 43 Y HA 0.395 4.944 4.550 -0.000 0.000 0.348 43 Y C 0.995 177.042 175.900 0.244 0.000 0.985 43 Y CA -0.268 57.937 58.100 0.175 0.000 1.214 43 Y CB 0.001 38.530 38.460 0.115 0.000 1.136 43 Y HN 1.030 nan 8.280 nan 0.000 0.523 44 T N 2.281 116.848 114.554 0.023 0.000 2.849 44 T HA 0.155 4.505 4.350 -0.000 0.000 0.276 44 T C 0.898 175.560 174.700 -0.063 0.000 0.971 44 T CA -0.623 61.544 62.100 0.112 0.000 0.949 44 T CB 1.145 70.026 68.868 0.023 0.000 1.093 44 T HN 0.683 nan 8.240 nan 0.000 0.545 45 L N 0.606 121.599 121.223 -0.383 0.000 2.109 45 L HA 0.083 4.423 4.340 -0.000 0.000 0.207 45 L C 2.555 179.284 176.870 -0.236 0.000 1.086 45 L CA 2.014 56.428 54.840 -0.709 0.000 0.760 45 L CB -1.449 39.935 42.059 -1.125 0.000 0.910 45 L HN 0.932 nan 8.230 nan 0.000 0.437 46 T N -0.601 113.837 114.554 -0.194 0.000 2.684 46 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 46 T C 1.536 176.148 174.700 -0.146 0.000 1.036 46 T CA 1.586 63.607 62.100 -0.131 0.000 1.148 46 T CB -0.467 68.344 68.868 -0.094 0.000 0.863 46 T HN 0.345 nan 8.240 nan 0.000 0.436 47 D N -0.216 120.063 120.400 -0.203 0.000 2.221 47 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 47 D C 1.562 177.719 176.300 -0.238 0.000 0.982 47 D CA 0.703 54.531 54.000 -0.286 0.000 0.857 47 D CB -0.169 40.377 40.800 -0.423 0.000 0.934 47 D HN 0.460 nan 8.370 nan 0.000 0.475 48 Y N 0.768 120.891 120.300 -0.295 0.000 2.201 48 Y HA 0.053 4.602 4.550 -0.000 0.000 0.292 48 Y C 2.026 177.933 175.900 0.012 0.000 1.119 48 Y CA 0.981 59.060 58.100 -0.036 0.000 1.127 48 Y CB -0.558 37.957 38.460 0.092 0.000 1.019 48 Y HN -0.132 nan 8.280 nan 0.000 0.514 49 L N 0.231 121.282 121.223 -0.287 0.000 2.191 49 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 49 L C 1.770 178.538 176.870 -0.170 0.000 1.103 49 L CA 1.194 55.851 54.840 -0.306 0.000 0.769 49 L CB -0.412 41.549 42.059 -0.163 0.000 0.908 49 L HN 0.067 nan 8.230 nan 0.000 0.438 50 K N -0.194 120.126 120.400 -0.135 0.000 2.374 50 K HA 0.052 4.371 4.320 -0.000 0.000 0.196 50 K C 0.220 176.765 176.600 -0.092 0.000 1.023 50 K CA -0.063 56.163 56.287 -0.101 0.000 1.103 50 K CB -0.407 32.034 32.500 -0.100 0.000 0.848 50 K HN 0.295 nan 8.250 nan 0.000 0.528 51 N N 1.911 120.563 118.700 -0.080 0.000 2.714 51 N HA -0.239 4.501 4.740 -0.000 0.000 0.253 51 N C 0.746 176.228 175.510 -0.046 0.000 1.024 51 N CA 0.553 53.591 53.050 -0.019 0.000 0.726 51 N CB -0.347 38.124 38.487 -0.026 0.000 0.908 51 N HN 0.378 nan 8.380 nan 0.000 0.542 52 T N -1.622 112.855 114.554 -0.129 0.000 2.732 52 T HA -0.144 4.206 4.350 -0.000 0.000 0.261 52 T C 0.756 175.274 174.700 -0.303 0.000 1.040 52 T CA 1.114 63.036 62.100 -0.297 0.000 1.145 52 T CB -0.238 68.307 68.868 -0.539 0.000 0.866 52 T HN 0.323 nan 8.240 nan 0.000 0.427 53 Y N 3.542 123.915 120.300 0.122 0.000 2.636 53 Y HA 0.492 5.041 4.550 -0.000 0.000 0.341 53 Y C 0.851 176.845 175.900 0.156 0.000 1.169 53 Y CA -1.343 56.851 58.100 0.155 0.000 1.498 53 Y CB -0.120 38.481 38.460 0.236 0.000 1.362 53 Y HN 0.043 nan 8.280 nan 0.000 0.494 54 R N 1.493 122.103 120.500 0.183 0.000 2.944 54 R HA 0.129 4.469 4.340 -0.000 0.000 0.279 54 R C -0.520 175.887 176.300 0.178 0.000 1.048 54 R CA -0.441 55.746 56.100 0.145 0.000 1.196 54 R CB 0.323 30.674 30.300 0.084 0.000 1.134 54 R HN 0.399 nan 8.270 nan 0.000 0.525 55 L N 1.808 123.118 121.223 0.145 0.000 2.377 55 L HA 0.317 4.657 4.340 -0.000 0.000 0.270 55 L C -0.452 176.484 176.870 0.110 0.000 0.991 55 L CA -0.399 54.535 54.840 0.156 0.000 0.851 55 L CB 1.079 43.244 42.059 0.177 0.000 1.218 55 L HN 0.472 nan 8.230 nan 0.000 0.420 56 K N 4.413 124.869 120.400 0.093 0.000 2.368 56 K HA 0.534 4.854 4.320 -0.000 0.000 0.282 56 K C -0.737 175.869 176.600 0.010 0.000 1.035 56 K CA -0.228 56.084 56.287 0.042 0.000 0.973 56 K CB 0.749 33.270 32.500 0.034 0.000 0.957 56 K HN 0.339 nan 8.250 nan 0.000 0.474 57 L N 0.941 122.104 121.223 -0.100 0.000 2.303 57 L HA 0.477 4.817 4.340 -0.000 0.000 0.256 57 L C -1.002 175.555 176.870 -0.523 0.000 1.034 57 L CA -1.037 53.603 54.840 -0.333 0.000 0.832 57 L CB 0.238 42.308 42.059 0.017 0.000 1.403 57 L HN 0.413 nan 8.230 nan 0.000 0.419 58 Y N 0.128 119.760 120.300 -1.115 0.000 2.748 58 Y HA 0.567 5.117 4.550 -0.000 0.000 0.359 58 Y C 0.118 175.764 175.900 -0.423 0.000 1.030 58 Y CA -0.476 57.182 58.100 -0.738 0.000 1.169 58 Y CB 1.083 39.000 38.460 -0.906 0.000 1.127 58 Y HN 0.745 nan 8.280 nan 0.000 0.644 59 S N 5.618 121.273 115.700 -0.075 0.000 2.430 59 S HA 0.521 4.991 4.470 -0.000 0.000 0.282 59 S C -0.631 173.979 174.600 0.017 0.000 1.186 59 S CA -0.505 57.715 58.200 0.034 0.000 1.060 59 S CB -0.748 62.500 63.200 0.079 0.000 0.966 59 S HN 0.577 nan 8.310 nan 0.000 0.501 60 L N 3.559 124.753 121.223 -0.048 0.000 2.303 60 L HA 0.792 5.132 4.340 -0.000 0.000 0.266 60 L C -0.409 176.421 176.870 -0.066 0.000 1.011 60 L CA -0.820 53.947 54.840 -0.121 0.000 0.818 60 L CB 1.318 43.023 42.059 -0.590 0.000 1.326 60 L HN 0.442 nan 8.230 nan 0.000 0.435 61 R N 1.106 121.604 120.500 -0.004 0.000 2.412 61 R HA 0.319 4.659 4.340 -0.000 0.000 0.304 61 R C -1.713 174.638 176.300 0.086 0.000 1.066 61 R CA -0.316 55.831 56.100 0.077 0.000 0.923 61 R CB 0.918 31.300 30.300 0.137 0.000 1.156 61 R HN 0.668 nan 8.270 nan 0.000 0.513 62 W N 3.519 124.905 121.300 0.145 0.000 2.417 62 W HA -0.033 4.627 4.660 -0.000 0.000 0.332 62 W C 1.327 177.919 176.519 0.121 0.000 1.413 62 W CA -0.118 57.324 57.345 0.162 0.000 1.299 62 W CB 0.221 29.760 29.460 0.131 0.000 1.304 62 W HN 0.547 nan 8.180 nan 0.000 0.565 63 I N 2.743 123.494 120.570 0.301 0.000 2.927 63 I HA 0.007 4.177 4.170 -0.000 0.000 0.268 63 I C 1.119 177.322 176.117 0.144 0.000 1.153 63 I CA 0.970 62.366 61.300 0.161 0.000 1.459 63 I CB -0.340 37.689 38.000 0.047 0.000 1.149 63 I HN 0.270 nan 8.210 nan 0.000 0.443 64 S N -1.830 113.970 115.700 0.167 0.000 2.840 64 S HA 0.304 4.773 4.470 -0.000 0.000 0.307 64 S C 0.595 175.219 174.600 0.040 0.000 1.180 64 S CA -0.160 58.063 58.200 0.038 0.000 0.846 64 S CB 0.687 63.826 63.200 -0.102 0.000 1.233 64 S HN 0.058 nan 8.310 nan 0.000 0.548 65 D N 0.176 120.493 120.400 -0.139 0.000 2.265 65 D HA -0.138 4.502 4.640 -0.000 0.000 0.208 65 D C 1.182 177.526 176.300 0.074 0.000 0.977 65 D CA 2.026 55.992 54.000 -0.057 0.000 0.871 65 D CB -0.106 40.686 40.800 -0.013 0.000 0.925 65 D HN 0.738 nan 8.370 nan 0.000 0.485 66 H N -3.110 116.146 119.070 0.309 0.000 3.566 66 H HA 0.365 4.920 4.556 -0.000 0.000 0.259 66 H C -0.377 175.097 175.328 0.244 0.000 1.184 66 H CA -0.415 55.787 56.048 0.257 0.000 1.107 66 H CB 0.255 30.140 29.762 0.205 0.000 1.726 66 H HN 0.025 nan 8.280 nan 0.000 0.743 67 E N 1.540 121.910 120.200 0.283 0.000 2.238 67 E HA 0.331 4.681 4.350 -0.000 0.000 0.267 67 E C -1.469 175.244 176.600 0.188 0.000 0.887 67 E CA -1.050 55.453 56.400 0.170 0.000 0.769 67 E CB 3.113 32.878 29.700 0.108 0.000 1.187 67 E HN 0.339 nan 8.360 nan 0.000 0.416 68 Y N -0.256 119.997 120.300 -0.078 0.000 2.479 68 Y HA 0.482 5.031 4.550 -0.000 0.000 0.338 68 Y C -1.403 174.460 175.900 -0.063 0.000 1.055 68 Y CA -1.165 56.805 58.100 -0.218 0.000 1.023 68 Y CB 0.571 38.542 38.460 -0.815 0.000 1.287 68 Y HN 0.339 nan 8.280 nan 0.000 0.447 69 L N 4.527 125.838 121.223 0.148 0.000 2.417 69 L HA 0.358 4.697 4.340 -0.000 0.000 0.268 69 L C -1.028 176.070 176.870 0.380 0.000 1.158 69 L CA -0.627 54.290 54.840 0.129 0.000 0.819 69 L CB 0.732 42.783 42.059 -0.014 0.000 1.112 69 L HN 0.788 nan 8.230 nan 0.000 0.458 70 Y N 2.455 122.861 120.300 0.177 0.000 2.313 70 Y HA 0.316 4.866 4.550 -0.000 0.000 0.320 70 Y C -0.334 175.608 175.900 0.070 0.000 1.171 70 Y CA -1.682 56.491 58.100 0.121 0.000 1.093 70 Y CB 0.970 39.502 38.460 0.119 0.000 1.224 70 Y HN 0.451 nan 8.280 nan 0.000 0.421 71 K N 3.417 123.674 120.400 -0.239 0.000 2.397 71 K HA 0.348 4.667 4.320 -0.000 0.000 0.265 71 K C -0.996 175.190 176.600 -0.690 0.000 0.982 71 K CA 0.511 56.605 56.287 -0.322 0.000 0.931 71 K CB 0.368 32.794 32.500 -0.124 0.000 0.943 71 K HN 0.843 nan 8.250 nan 0.000 0.501 72 Q N 1.313 120.884 119.800 -0.381 0.000 2.774 72 Q HA 0.054 4.394 4.340 -0.000 0.000 0.232 72 Q C -1.292 174.605 176.000 -0.172 0.000 0.985 72 Q CA -0.349 55.252 55.803 -0.336 0.000 1.058 72 Q CB 0.915 29.452 28.738 -0.335 0.000 1.789 72 Q HN 0.664 nan 8.270 nan 0.000 0.487 73 E N 1.798 121.921 120.200 -0.129 0.000 2.405 73 E HA -0.313 4.036 4.350 -0.000 0.000 0.240 73 E C -0.682 175.874 176.600 -0.073 0.000 1.269 73 E CA 1.755 58.106 56.400 -0.082 0.000 0.716 73 E CB -1.965 27.696 29.700 -0.065 0.000 1.228 73 E HN 0.899 nan 8.360 nan 0.000 0.393 74 N N -1.463 117.188 118.700 -0.082 0.000 2.850 74 N HA -0.261 4.478 4.740 -0.000 0.000 0.249 74 N C -0.746 174.723 175.510 -0.068 0.000 1.060 74 N CA 0.879 53.891 53.050 -0.063 0.000 0.825 74 N CB -0.990 37.472 38.487 -0.042 0.000 1.132 74 N HN 0.625 nan 8.380 nan 0.000 0.564 75 N N 0.463 119.112 118.700 -0.085 0.000 2.296 75 N HA 0.541 5.281 4.740 -0.000 0.000 0.294 75 N C -1.028 174.434 175.510 -0.080 0.000 1.033 75 N CA -0.690 52.317 53.050 -0.073 0.000 0.839 75 N CB 1.276 39.728 38.487 -0.058 0.000 1.395 75 N HN 0.092 nan 8.380 nan 0.000 0.479 76 I N 1.589 122.123 120.570 -0.059 0.000 2.416 76 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 76 I C -0.617 175.539 176.117 0.066 0.000 1.051 76 I CA -0.695 60.588 61.300 -0.028 0.000 1.375 76 I CB 0.384 38.338 38.000 -0.077 0.000 1.407 76 I HN 0.333 nan 8.210 nan 0.000 0.516 77 L N 7.337 128.590 121.223 0.051 0.000 2.334 77 L HA 0.521 4.861 4.340 -0.000 0.000 0.273 77 L C 0.025 176.908 176.870 0.022 0.000 1.013 77 L CA -0.509 54.340 54.840 0.016 0.000 0.816 77 L CB 1.581 43.594 42.059 -0.076 0.000 1.278 77 L HN 0.328 nan 8.230 nan 0.000 0.431 78 V N 2.187 122.049 119.914 -0.086 0.000 2.997 78 V HA 0.603 4.722 4.120 -0.000 0.000 0.311 78 V C -1.059 174.818 176.094 -0.362 0.000 1.066 78 V CA -0.226 61.998 62.300 -0.126 0.000 1.039 78 V CB 1.606 33.404 31.823 -0.042 0.000 1.081 78 V HN 0.532 nan 8.190 nan 0.000 0.467 79 F N 3.470 123.116 119.950 -0.506 0.000 2.601 79 F HA 0.461 4.988 4.527 -0.000 0.000 0.309 79 F C -0.068 175.451 175.800 -0.467 0.000 1.089 79 F CA -0.735 56.904 58.000 -0.601 0.000 0.940 79 F CB 1.893 40.183 39.000 -1.183 0.000 1.273 79 F HN 0.601 nan 8.300 nan 0.000 0.450 80 N N 2.117 120.786 118.700 -0.051 0.000 2.425 80 N HA 0.322 5.062 4.740 -0.000 0.000 0.268 80 N C 0.391 175.886 175.510 -0.025 0.000 0.991 80 N CA 0.131 53.180 53.050 -0.002 0.000 0.931 80 N CB 1.967 40.491 38.487 0.060 0.000 1.130 80 N HN 0.796 nan 8.380 nan 0.000 0.493 81 A N 3.703 126.452 122.820 -0.118 0.000 1.940 81 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 81 A C 1.876 179.310 177.584 -0.251 0.000 1.176 81 A CA 1.607 53.477 52.037 -0.278 0.000 0.631 81 A CB -0.502 17.929 19.000 -0.948 0.000 0.814 81 A HN 0.807 nan 8.150 nan 0.000 0.446 82 E N -0.653 119.391 120.200 -0.261 0.000 1.998 82 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 82 E C 1.786 178.197 176.600 -0.316 0.000 1.003 82 E CA 2.017 58.254 56.400 -0.272 0.000 0.829 82 E CB -0.555 28.796 29.700 -0.582 0.000 0.777 82 E HN 0.710 nan 8.360 nan 0.000 0.460 83 Y N -1.839 118.490 120.300 0.048 0.000 2.206 83 Y HA 0.157 4.707 4.550 -0.000 0.000 0.292 83 Y C 1.903 177.830 175.900 0.046 0.000 1.123 83 Y CA 0.698 58.821 58.100 0.038 0.000 1.142 83 Y CB 0.123 38.597 38.460 0.023 0.000 1.006 83 Y HN 0.355 nan 8.280 nan 0.000 0.518 84 G N -0.442 108.478 108.800 0.201 0.000 2.296 84 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.188 84 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.188 84 G C -0.130 174.902 174.900 0.221 0.000 1.000 84 G CA -0.188 45.035 45.100 0.204 0.000 0.672 84 G HN 0.430 nan 8.290 nan 0.000 0.483 85 N N 1.033 119.813 118.700 0.132 0.000 2.453 85 N HA 0.447 5.186 4.740 -0.000 0.000 0.253 85 N C 0.200 175.609 175.510 -0.168 0.000 1.252 85 N CA 1.015 54.069 53.050 0.008 0.000 0.917 85 N CB 1.138 39.623 38.487 -0.002 0.000 1.117 85 N HN 0.629 nan 8.380 nan 0.000 0.442 86 S N 0.039 115.518 115.700 -0.368 0.000 2.745 86 S HA 0.660 5.129 4.470 -0.000 0.000 0.306 86 S C -0.798 173.567 174.600 -0.393 0.000 1.137 86 S CA -0.913 56.854 58.200 -0.721 0.000 0.900 86 S CB 1.632 63.915 63.200 -1.528 0.000 1.176 86 S HN 0.611 nan 8.310 nan 0.000 0.520 87 S N 0.695 116.180 115.700 -0.358 0.000 2.357 87 S HA 0.252 4.721 4.470 -0.000 0.000 0.209 87 S C -0.869 173.668 174.600 -0.105 0.000 0.981 87 S CA -0.714 57.379 58.200 -0.179 0.000 1.106 87 S CB 0.849 63.983 63.200 -0.110 0.000 1.266 87 S HN 0.811 nan 8.310 nan 0.000 0.410 88 V N 4.415 124.268 119.914 -0.101 0.000 3.122 88 V HA -0.192 3.927 4.120 -0.000 0.000 0.281 88 V C 1.055 177.149 176.094 -0.002 0.000 1.107 88 V CA 1.115 63.384 62.300 -0.051 0.000 1.241 88 V CB -1.119 30.663 31.823 -0.068 0.000 0.770 88 V HN 0.897 nan 8.190 nan 0.000 0.419 89 F N 5.387 125.279 119.950 -0.095 0.000 2.569 89 F HA 0.415 4.942 4.527 -0.000 0.000 0.295 89 F C 0.640 176.404 175.800 -0.060 0.000 1.115 89 F CA 0.317 58.274 58.000 -0.070 0.000 1.450 89 F CB 0.575 39.541 39.000 -0.056 0.000 1.107 89 F HN 0.427 nan 8.300 nan 0.000 0.563 90 L N 1.089 122.337 121.223 0.042 0.000 2.849 90 L HA 0.225 4.565 4.340 -0.000 0.000 0.256 90 L C -0.739 176.111 176.870 -0.033 0.000 0.951 90 L CA -0.512 54.313 54.840 -0.025 0.000 1.003 90 L CB 0.894 43.005 42.059 0.087 0.000 1.408 90 L HN -0.035 nan 8.230 nan 0.000 0.463 91 E N 1.635 121.792 120.200 -0.071 0.000 2.465 91 E HA -0.047 4.303 4.350 -0.000 0.000 0.260 91 E C 0.783 177.350 176.600 -0.055 0.000 0.980 91 E CA 0.470 56.828 56.400 -0.069 0.000 0.927 91 E CB 0.783 30.430 29.700 -0.088 0.000 0.934 91 E HN 0.708 nan 8.360 nan 0.000 0.459 92 N N 1.430 120.102 118.700 -0.046 0.000 2.443 92 N HA -0.195 4.544 4.740 -0.000 0.000 0.184 92 N C 0.876 176.370 175.510 -0.027 0.000 1.037 92 N CA 1.224 54.256 53.050 -0.030 0.000 0.896 92 N CB 0.038 38.502 38.487 -0.038 0.000 0.959 92 N HN 0.254 nan 8.380 nan 0.000 0.442 93 S N -2.799 112.868 115.700 -0.055 0.000 2.660 93 S HA 0.163 4.633 4.470 -0.000 0.000 0.227 93 S C 1.177 175.703 174.600 -0.123 0.000 0.948 93 S CA -0.310 57.849 58.200 -0.068 0.000 0.948 93 S CB -0.301 62.859 63.200 -0.066 0.000 0.779 93 S HN 0.196 nan 8.310 nan 0.000 0.487 94 T N 1.708 116.158 114.554 -0.174 0.000 2.732 94 T HA 0.137 4.487 4.350 -0.000 0.000 0.261 94 T C 0.246 174.581 174.700 -0.609 0.000 1.040 94 T CA 0.985 62.825 62.100 -0.434 0.000 1.145 94 T CB -0.373 68.142 68.868 -0.587 0.000 0.866 94 T HN 0.581 nan 8.240 nan 0.000 0.427 95 F N 1.565 121.386 119.950 -0.216 0.000 2.986 95 F HA 0.322 4.849 4.527 -0.000 0.000 0.297 95 F C 0.931 176.693 175.800 -0.063 0.000 1.210 95 F CA -0.793 57.096 58.000 -0.186 0.000 1.346 95 F CB -0.199 38.604 39.000 -0.329 0.000 1.007 95 F HN 0.016 nan 8.300 nan 0.000 0.512 96 D N 0.210 120.633 120.400 0.039 0.000 2.091 96 D HA -0.143 4.496 4.640 -0.000 0.000 0.199 96 D C 1.543 177.876 176.300 0.055 0.000 0.980 96 D CA 1.172 55.197 54.000 0.041 0.000 0.831 96 D CB -0.057 40.739 40.800 -0.006 0.000 0.987 96 D HN 0.110 nan 8.370 nan 0.000 0.460 97 E N -0.673 119.542 120.200 0.025 0.000 2.441 97 E HA 0.015 4.365 4.350 -0.000 0.000 0.210 97 E C 0.312 176.949 176.600 0.061 0.000 1.306 97 E CA -0.134 56.273 56.400 0.011 0.000 1.307 97 E CB -0.749 28.941 29.700 -0.018 0.000 1.297 97 E HN 0.194 nan 8.360 nan 0.000 0.440 98 F N -0.386 119.531 119.950 -0.055 0.000 2.656 98 F HA 0.244 4.770 4.527 -0.001 0.000 0.291 98 F C 1.478 177.155 175.800 -0.205 0.000 1.122 98 F CA 0.922 58.888 58.000 -0.056 0.000 1.427 98 F CB 0.388 39.401 39.000 0.022 0.000 1.125 98 F HN 0.130 nan 8.300 nan 0.000 0.583 99 G N 2.310 110.983 108.800 -0.213 0.000 2.350 99 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.298 99 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.298 99 G C -0.702 173.737 174.900 -0.768 0.000 1.037 99 G CA 0.762 45.604 45.100 -0.430 0.000 1.074 99 G HN 0.635 nan 8.290 nan 0.000 0.511 100 H N -1.543 117.499 119.070 -0.048 0.000 3.120 100 H HA 0.345 4.901 4.556 -0.000 0.000 0.314 100 H C -0.395 175.018 175.328 0.142 0.000 1.151 100 H CA -0.267 55.780 56.048 -0.002 0.000 1.404 100 H CB 0.837 30.468 29.762 -0.217 0.000 2.031 100 H HN 0.381 nan 8.280 nan 0.000 0.513 101 S N 1.756 117.589 115.700 0.223 0.000 2.617 101 S HA 0.525 4.995 4.470 -0.000 0.000 0.269 101 S C 0.348 175.022 174.600 0.124 0.000 1.292 101 S CA -0.592 57.691 58.200 0.139 0.000 1.010 101 S CB 0.297 63.548 63.200 0.085 0.000 0.944 101 S HN 0.406 nan 8.310 nan 0.000 0.536 102 I N 3.588 124.172 120.570 0.023 0.000 2.385 102 I HA 0.259 4.428 4.170 -0.000 0.000 0.294 102 I C 1.021 177.118 176.117 -0.032 0.000 0.988 102 I CA -0.378 60.897 61.300 -0.041 0.000 1.265 102 I CB 1.585 39.475 38.000 -0.184 0.000 1.388 102 I HN 0.774 nan 8.210 nan 0.000 0.480 103 N N 3.266 121.934 118.700 -0.054 0.000 2.368 103 N HA 0.011 4.750 4.740 -0.000 0.000 0.178 103 N C -0.141 175.269 175.510 -0.166 0.000 1.021 103 N CA 0.841 53.813 53.050 -0.131 0.000 0.875 103 N CB 0.554 38.914 38.487 -0.210 0.000 1.020 103 N HN 0.621 nan 8.380 nan 0.000 0.433 104 D N -2.118 118.189 120.400 -0.156 0.000 2.599 104 D HA 0.169 4.809 4.640 -0.000 0.000 0.252 104 D C -1.568 174.673 176.300 -0.098 0.000 1.232 104 D CA -0.462 53.429 54.000 -0.182 0.000 0.819 104 D CB 1.477 42.136 40.800 -0.236 0.000 1.401 104 D HN 0.110 nan 8.370 nan 0.000 0.429 105 Y N -1.320 118.954 120.300 -0.043 0.000 2.581 105 Y HA 0.679 5.229 4.550 -0.000 0.000 0.345 105 Y C -1.160 174.788 175.900 0.079 0.000 1.036 105 Y CA -0.956 57.136 58.100 -0.013 0.000 1.042 105 Y CB 1.817 40.244 38.460 -0.055 0.000 1.289 105 Y HN 0.119 nan 8.280 nan 0.000 0.471 106 S N 2.588 118.483 115.700 0.326 0.000 2.775 106 S HA 0.532 5.002 4.470 -0.000 0.000 0.277 106 S C -1.644 173.297 174.600 0.568 0.000 1.156 106 S CA -0.469 57.942 58.200 0.352 0.000 1.081 106 S CB 0.053 63.426 63.200 0.288 0.000 1.054 106 S HN 0.596 nan 8.310 nan 0.000 0.482 107 I N 4.956 125.796 120.570 0.451 0.000 2.436 107 I HA 0.190 4.359 4.170 -0.000 0.000 0.289 107 I C 0.937 177.077 176.117 0.039 0.000 1.083 107 I CA 0.366 61.844 61.300 0.297 0.000 1.372 107 I CB 1.139 39.241 38.000 0.170 0.000 1.408 107 I HN 0.721 nan 8.210 nan 0.000 0.516 108 S N 8.813 124.303 115.700 -0.350 0.000 2.546 108 S HA 0.119 4.589 4.470 -0.000 0.000 0.290 108 S C -1.196 173.150 174.600 -0.424 0.000 1.290 108 S CA -0.893 56.612 58.200 -1.159 0.000 1.069 108 S CB 0.283 62.309 63.200 -1.958 0.000 0.846 108 S HN 0.575 nan 8.310 nan 0.000 0.495 109 P HA -0.241 nan 4.420 nan 0.000 0.219 109 P C 0.602 177.858 177.300 -0.074 0.000 1.151 109 P CA 1.907 64.931 63.100 -0.126 0.000 0.850 109 P CB -0.320 31.313 31.700 -0.112 0.000 0.784 110 D N -1.284 119.064 120.400 -0.087 0.000 2.400 110 D HA 0.104 4.744 4.640 -0.000 0.000 0.243 110 D C 1.585 177.924 176.300 0.065 0.000 1.184 110 D CA 0.170 54.178 54.000 0.014 0.000 0.853 110 D CB -1.326 39.518 40.800 0.074 0.000 0.944 110 D HN 0.267 nan 8.370 nan 0.000 0.501 111 G N 0.696 109.538 108.800 0.070 0.000 2.524 111 G HA2 -0.523 3.436 3.960 -0.000 0.000 0.252 111 G HA3 -0.523 3.436 3.960 -0.000 0.000 0.252 111 G C 1.210 176.218 174.900 0.180 0.000 0.990 111 G CA 1.167 46.380 45.100 0.189 0.000 0.653 111 G HN 0.494 nan 8.290 nan 0.000 0.576 112 Q N -0.957 118.915 119.800 0.121 0.000 2.061 112 Q HA 0.030 4.370 4.340 -0.000 0.000 0.204 112 Q C 0.909 176.795 176.000 -0.190 0.000 0.984 112 Q CA 1.307 57.106 55.803 -0.008 0.000 0.846 112 Q CB 0.001 28.844 28.738 0.175 0.000 0.902 112 Q HN 0.646 nan 8.270 nan 0.000 0.421 113 F N -1.099 118.822 119.950 -0.048 0.000 2.618 113 F HA 0.620 5.147 4.527 -0.000 0.000 0.332 113 F C -0.240 175.670 175.800 0.184 0.000 1.061 113 F CA -1.371 56.664 58.000 0.059 0.000 0.974 113 F CB 1.693 40.747 39.000 0.090 0.000 1.310 113 F HN -0.134 nan 8.300 nan 0.000 0.491 114 I N 2.206 123.118 120.570 0.571 0.000 2.649 114 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 114 I C -1.985 174.462 176.117 0.550 0.000 1.222 114 I CA -0.947 60.686 61.300 0.555 0.000 1.046 114 I CB 1.699 39.968 38.000 0.448 0.000 1.272 114 I HN 0.525 nan 8.210 nan 0.000 0.425 115 L N 8.233 129.789 121.223 0.554 0.000 2.319 115 L HA 0.515 4.855 4.340 -0.000 0.000 0.280 115 L C -1.331 175.651 176.870 0.188 0.000 1.099 115 L CA 0.186 55.213 54.840 0.311 0.000 0.828 115 L CB 0.925 43.064 42.059 0.134 0.000 1.150 115 L HN 0.499 nan 8.230 nan 0.000 0.442 116 L N 5.065 126.346 121.223 0.096 0.000 2.307 116 L HA 0.574 4.914 4.340 -0.000 0.000 0.284 116 L C -0.184 176.726 176.870 0.067 0.000 1.023 116 L CA -0.476 54.323 54.840 -0.068 0.000 0.810 116 L CB 1.609 43.428 42.059 -0.400 0.000 1.231 116 L HN 0.623 nan 8.230 nan 0.000 0.423 117 E N 2.756 122.953 120.200 -0.004 0.000 2.187 117 E HA 0.537 4.887 4.350 -0.000 0.000 0.268 117 E C -1.772 174.848 176.600 0.035 0.000 0.896 117 E CA -0.553 55.763 56.400 -0.140 0.000 0.766 117 E CB 1.830 31.381 29.700 -0.249 0.000 1.142 117 E HN 0.456 nan 8.360 nan 0.000 0.408 118 Y N 0.897 121.053 120.300 -0.241 0.000 2.744 118 Y HA 0.441 4.991 4.550 -0.000 0.000 0.330 118 Y C -0.127 175.706 175.900 -0.111 0.000 1.263 118 Y CA -1.634 56.396 58.100 -0.116 0.000 1.065 118 Y CB 0.437 38.900 38.460 0.004 0.000 1.306 118 Y HN 0.500 nan 8.280 nan 0.000 0.459 119 N N 0.441 119.195 118.700 0.091 0.000 2.714 119 N HA -0.279 4.461 4.740 -0.000 0.000 0.253 119 N C -1.103 174.390 175.510 -0.028 0.000 1.024 119 N CA 0.802 53.858 53.050 0.011 0.000 0.726 119 N CB -1.008 37.431 38.487 -0.080 0.000 0.908 119 N HN 0.825 nan 8.380 nan 0.000 0.542 120 Y N -0.043 120.178 120.300 -0.131 0.000 2.511 120 Y HA 0.324 4.873 4.550 -0.000 0.000 0.332 120 Y C 0.313 176.158 175.900 -0.091 0.000 1.177 120 Y CA -0.047 57.949 58.100 -0.174 0.000 1.422 120 Y CB 0.815 39.132 38.460 -0.239 0.000 1.271 120 Y HN 0.035 nan 8.280 nan 0.000 0.550 121 V N 6.659 126.137 119.914 -0.727 0.000 2.629 121 V HA 0.164 4.284 4.120 -0.000 0.000 0.263 121 V C -0.379 175.315 176.094 -0.666 0.000 0.959 121 V CA -1.537 60.411 62.300 -0.587 0.000 0.869 121 V CB 0.654 32.319 31.823 -0.262 0.000 1.060 121 V HN 0.788 nan 8.190 nan 0.000 0.474 122 K N 2.677 122.529 120.400 -0.914 0.000 2.548 122 K HA -0.093 4.226 4.320 -0.000 0.000 0.277 122 K C 0.748 177.188 176.600 -0.267 0.000 1.001 122 K CA 1.016 57.041 56.287 -0.436 0.000 1.102 122 K CB 0.821 33.252 32.500 -0.115 0.000 0.848 122 K HN 0.829 nan 8.250 nan 0.000 0.487 123 Q N 3.504 123.146 119.800 -0.264 0.000 2.339 123 Q HA 0.080 4.420 4.340 -0.000 0.000 0.193 123 Q C 0.500 176.327 176.000 -0.289 0.000 0.998 123 Q CA 0.118 55.585 55.803 -0.559 0.000 0.847 123 Q CB 0.003 28.230 28.738 -0.852 0.000 0.988 123 Q HN 0.794 nan 8.270 nan 0.000 0.558 124 W N -0.471 120.795 121.300 -0.056 0.000 3.165 124 W HA 0.219 4.878 4.660 -0.001 0.000 0.637 124 W C 2.203 178.691 176.519 -0.052 0.000 2.417 124 W CA -0.408 56.914 57.345 -0.039 0.000 1.021 124 W CB -0.166 29.184 29.460 -0.182 0.000 3.008 124 W HN 0.120 nan 8.180 nan 0.000 0.621 125 R N -1.186 119.394 120.500 0.134 0.000 2.142 125 R HA 0.057 4.396 4.340 -0.000 0.000 0.204 125 R C 1.766 177.915 176.300 -0.251 0.000 1.059 125 R CA 1.412 57.423 56.100 -0.149 0.000 1.055 125 R CB -0.406 29.646 30.300 -0.413 0.000 0.976 125 R HN 0.340 nan 8.270 nan 0.000 0.483 126 H N -0.813 118.323 119.070 0.110 0.000 2.800 126 H HA 0.271 4.827 4.556 -0.000 0.000 0.257 126 H C 0.399 175.791 175.328 0.106 0.000 0.967 126 H CA 0.531 56.666 56.048 0.144 0.000 1.192 126 H CB 0.229 30.048 29.762 0.096 0.000 1.441 126 H HN 0.215 nan 8.280 nan 0.000 0.461 127 S N 1.320 116.994 115.700 -0.043 0.000 2.600 127 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 127 S C -0.228 174.280 174.600 -0.154 0.000 1.325 127 S CA -0.339 57.548 58.200 -0.522 0.000 1.002 127 S CB 0.740 63.079 63.200 -1.435 0.000 0.921 127 S HN 0.444 nan 8.310 nan 0.000 0.554 128 Y N -2.619 117.609 120.300 -0.120 0.000 2.774 128 Y HA 0.640 5.190 4.550 -0.000 0.000 0.346 128 Y C -0.956 174.946 175.900 0.005 0.000 1.222 128 Y CA -0.857 57.186 58.100 -0.095 0.000 1.088 128 Y CB 0.459 38.971 38.460 0.088 0.000 1.354 128 Y HN 0.942 nan 8.280 nan 0.000 0.455 129 T N -0.015 114.676 114.554 0.227 0.000 2.887 129 T HA 1.016 5.366 4.350 -0.000 0.000 0.288 129 T C -0.581 174.200 174.700 0.134 0.000 1.021 129 T CA -0.143 62.061 62.100 0.173 0.000 1.000 129 T CB 1.514 70.379 68.868 -0.006 0.000 1.034 129 T HN 2.168 nan 8.240 nan 0.000 0.467 130 A N 1.389 124.261 122.820 0.087 0.000 2.592 130 A HA 0.591 4.911 4.320 -0.000 0.000 0.300 130 A C -0.318 177.045 177.584 -0.368 0.000 0.994 130 A CA -0.998 50.932 52.037 -0.178 0.000 0.707 130 A CB 0.345 19.193 19.000 -0.252 0.000 1.273 130 A HN 0.894 nan 8.150 nan 0.000 0.413 131 S N 0.438 115.771 115.700 -0.610 0.000 2.576 131 S HA 0.626 5.095 4.470 -0.000 0.000 0.276 131 S C -0.891 173.204 174.600 -0.842 0.000 1.339 131 S CA 0.411 58.180 58.200 -0.718 0.000 1.039 131 S CB 0.040 62.529 63.200 -1.185 0.000 0.902 131 S HN 0.460 nan 8.310 nan 0.000 0.516 132 Y N 0.245 120.359 120.300 -0.310 0.000 2.499 132 Y HA 0.519 5.068 4.550 -0.000 0.000 0.347 132 Y C -0.034 175.930 175.900 0.108 0.000 0.987 132 Y CA -1.022 57.025 58.100 -0.088 0.000 1.044 132 Y CB 1.692 40.066 38.460 -0.143 0.000 1.245 132 Y HN 0.475 nan 8.280 nan 0.000 0.461 133 D N 2.027 122.658 120.400 0.386 0.000 2.879 133 D HA 0.397 5.037 4.640 -0.000 0.000 0.236 133 D C -1.235 175.218 176.300 0.255 0.000 1.171 133 D CA -0.363 53.846 54.000 0.348 0.000 0.868 133 D CB 2.943 44.045 40.800 0.503 0.000 1.598 133 D HN 0.502 nan 8.370 nan 0.000 0.497 134 I N 2.327 123.051 120.570 0.257 0.000 2.460 134 I HA 0.368 4.537 4.170 -0.000 0.000 0.298 134 I C -1.424 174.950 176.117 0.430 0.000 0.989 134 I CA -0.794 60.699 61.300 0.322 0.000 1.173 134 I CB 1.343 39.505 38.000 0.270 0.000 1.338 134 I HN 0.270 nan 8.210 nan 0.000 0.456 135 Y N 6.658 127.151 120.300 0.322 0.000 2.376 135 Y HA 0.374 4.924 4.550 -0.000 0.000 0.340 135 Y C -0.799 175.199 175.900 0.165 0.000 0.965 135 Y CA -0.897 57.373 58.100 0.283 0.000 1.078 135 Y CB 1.232 39.945 38.460 0.422 0.000 1.193 135 Y HN 0.471 nan 8.280 nan 0.000 0.452 136 D N 6.112 126.164 120.400 -0.580 0.000 2.295 136 D HA 0.121 4.760 4.640 -0.000 0.000 0.248 136 D C 0.750 176.358 176.300 -1.152 0.000 1.154 136 D CA 0.040 53.557 54.000 -0.804 0.000 0.857 136 D CB 1.172 41.626 40.800 -0.577 0.000 1.117 136 D HN 0.706 nan 8.370 nan 0.000 0.468 137 L N 4.094 124.849 121.223 -0.779 0.000 2.005 137 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 137 L C 2.185 178.783 176.870 -0.454 0.000 1.072 137 L CA 0.993 55.526 54.840 -0.512 0.000 0.744 137 L CB -1.320 40.559 42.059 -0.301 0.000 0.895 137 L HN 0.631 nan 8.230 nan 0.000 0.433 138 N N 1.831 120.268 118.700 -0.439 0.000 2.019 138 N HA -0.333 4.407 4.740 -0.000 0.000 0.198 138 N C 1.754 177.093 175.510 -0.286 0.000 1.065 138 N CA 2.471 55.329 53.050 -0.321 0.000 0.881 138 N CB -0.358 37.936 38.487 -0.321 0.000 1.079 138 N HN 0.216 nan 8.380 nan 0.000 0.460 139 K N 0.716 120.935 120.400 -0.302 0.000 2.442 139 K HA -0.062 4.258 4.320 -0.000 0.000 0.198 139 K C 0.325 176.777 176.600 -0.246 0.000 1.044 139 K CA 0.407 56.558 56.287 -0.227 0.000 0.948 139 K CB -0.061 32.325 32.500 -0.190 0.000 0.762 139 K HN 0.297 nan 8.250 nan 0.000 0.472 140 R N 0.719 120.979 120.500 -0.399 0.000 3.405 140 R HA -0.159 4.181 4.340 -0.000 0.000 0.258 140 R C -0.945 175.274 176.300 -0.135 0.000 1.030 140 R CA 0.740 56.639 56.100 -0.335 0.000 0.691 140 R CB -0.755 29.499 30.300 -0.076 0.000 1.093 140 R HN 0.343 nan 8.270 nan 0.000 0.448 141 Q N -0.089 119.527 119.800 -0.306 0.000 2.451 141 Q HA 0.332 4.671 4.340 -0.000 0.000 0.281 141 Q C -0.893 175.201 176.000 0.158 0.000 1.099 141 Q CA -1.070 54.756 55.803 0.038 0.000 0.806 141 Q CB 1.709 30.445 28.738 -0.004 0.000 1.419 141 Q HN 0.077 nan 8.270 nan 0.000 0.427 142 L N 2.211 123.613 121.223 0.297 0.000 2.283 142 L HA 0.323 4.663 4.340 -0.000 0.000 0.287 142 L C -0.110 176.885 176.870 0.209 0.000 1.073 142 L CA 0.102 55.148 54.840 0.343 0.000 0.822 142 L CB 0.182 42.460 42.059 0.364 0.000 1.186 142 L HN 0.556 nan 8.230 nan 0.000 0.436 143 I N 4.768 125.457 120.570 0.198 0.000 2.948 143 I HA -0.121 4.049 4.170 -0.000 0.000 0.284 143 I C 1.275 177.462 176.117 0.116 0.000 1.181 143 I CA 0.496 61.879 61.300 0.138 0.000 1.372 143 I CB -0.050 38.039 38.000 0.147 0.000 1.443 143 I HN 0.767 nan 8.210 nan 0.000 0.554 144 T N 1.668 116.273 114.554 0.084 0.000 3.081 144 T HA 0.048 4.397 4.350 -0.000 0.000 0.255 144 T C 0.508 175.230 174.700 0.036 0.000 1.113 144 T CA -0.103 62.036 62.100 0.065 0.000 1.082 144 T CB -0.169 68.729 68.868 0.051 0.000 0.939 144 T HN 0.693 nan 8.240 nan 0.000 0.506 145 E N 0.863 121.079 120.200 0.025 0.000 2.227 145 E HA 0.492 4.842 4.350 -0.000 0.000 0.268 145 E C -0.920 175.669 176.600 -0.019 0.000 0.907 145 E CA -1.146 55.254 56.400 -0.000 0.000 0.786 145 E CB 0.897 30.595 29.700 -0.003 0.000 1.191 145 E HN -0.131 nan 8.360 nan 0.000 0.411 146 E N 1.170 121.341 120.200 -0.050 0.000 2.240 146 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 146 E C -0.929 175.613 176.600 -0.097 0.000 1.385 146 E CA 0.635 56.983 56.400 -0.088 0.000 0.686 146 E CB -1.159 28.491 29.700 -0.082 0.000 1.125 146 E HN 0.566 nan 8.360 nan 0.000 0.359 147 R N 0.125 120.565 120.500 -0.100 0.000 2.528 147 R HA 0.480 4.819 4.340 -0.000 0.000 0.271 147 R C 1.008 177.179 176.300 -0.215 0.000 1.056 147 R CA -0.953 55.086 56.100 -0.102 0.000 1.117 147 R CB 0.758 31.037 30.300 -0.035 0.000 1.085 147 R HN 0.157 nan 8.270 nan 0.000 0.530 148 I N 5.166 125.570 120.570 -0.277 0.000 2.671 148 I HA -0.028 4.142 4.170 -0.000 0.000 0.285 148 I C -1.457 174.461 176.117 -0.332 0.000 1.148 148 I CA -1.111 59.892 61.300 -0.495 0.000 1.386 148 I CB -0.084 37.583 38.000 -0.556 0.000 1.406 148 I HN 0.315 nan 8.210 nan 0.000 0.540 149 P HA -0.191 nan 4.420 nan 0.000 0.270 149 P C -0.407 176.841 177.300 -0.086 0.000 1.181 149 P CA 0.185 63.020 63.100 -0.442 0.000 0.767 149 P CB 0.422 31.363 31.700 -1.267 0.000 0.799 150 N N 2.616 121.344 118.700 0.046 0.000 2.381 150 N HA -0.072 4.668 4.740 -0.000 0.000 0.241 150 N C 0.226 175.956 175.510 0.367 0.000 1.279 150 N CA 0.280 53.422 53.050 0.153 0.000 0.896 150 N CB -0.311 38.253 38.487 0.128 0.000 1.118 150 N HN 0.432 nan 8.380 nan 0.000 0.438 151 N N -0.278 118.566 118.700 0.241 0.000 2.727 151 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 151 N C -1.144 174.586 175.510 0.367 0.000 1.040 151 N CA 0.624 53.812 53.050 0.230 0.000 0.712 151 N CB -2.150 36.422 38.487 0.143 0.000 0.912 151 N HN 0.496 nan 8.380 nan 0.000 0.545 152 T N 0.915 115.709 114.554 0.399 0.000 2.727 152 T HA 0.145 4.495 4.350 -0.000 0.000 0.298 152 T C 1.686 176.607 174.700 0.368 0.000 0.942 152 T CA -0.276 62.101 62.100 0.462 0.000 0.997 152 T CB 1.305 70.347 68.868 0.290 0.000 0.917 152 T HN 0.180 nan 8.240 nan 0.000 0.487 153 Q N 2.557 122.534 119.800 0.296 0.000 2.029 153 Q HA -0.074 4.266 4.340 -0.000 0.000 0.209 153 Q C 0.450 176.697 176.000 0.411 0.000 0.999 153 Q CA 1.451 57.431 55.803 0.295 0.000 0.857 153 Q CB 0.230 29.066 28.738 0.164 0.000 0.926 153 Q HN 0.696 nan 8.270 nan 0.000 0.415 154 W N -0.787 120.526 121.300 0.022 0.000 3.296 154 W HA 0.504 5.164 4.660 -0.000 0.000 0.314 154 W C -2.211 174.227 176.519 -0.136 0.000 1.238 154 W CA -0.634 56.672 57.345 -0.065 0.000 1.193 154 W CB 1.164 30.508 29.460 -0.193 0.000 1.383 154 W HN -0.253 nan 8.180 nan 0.000 0.545 155 V N 3.099 122.422 119.914 -0.985 0.000 2.823 155 V HA 0.729 4.849 4.120 -0.000 0.000 0.312 155 V C -0.341 175.191 176.094 -0.936 0.000 1.072 155 V CA -0.616 61.174 62.300 -0.850 0.000 0.937 155 V CB 1.978 33.132 31.823 -1.115 0.000 1.013 155 V HN 0.504 nan 8.190 nan 0.000 0.430 156 T N 2.094 116.403 114.554 -0.408 0.000 3.295 156 T HA 0.382 4.731 4.350 -0.000 0.000 0.331 156 T C -1.191 173.572 174.700 0.106 0.000 1.142 156 T CA -0.381 61.647 62.100 -0.120 0.000 1.078 156 T CB 0.532 69.532 68.868 0.220 0.000 1.150 156 T HN 0.528 nan 8.240 nan 0.000 0.465 157 W N 3.376 124.720 121.300 0.073 0.000 2.112 157 W HA 0.409 5.069 4.660 -0.000 0.000 0.349 157 W C 1.355 177.803 176.519 -0.119 0.000 1.289 157 W CA -0.634 56.711 57.345 -0.000 0.000 1.256 157 W CB 0.717 30.163 29.460 -0.024 0.000 1.148 157 W HN 0.867 nan 8.180 nan 0.000 0.590 158 S N 1.989 117.595 115.700 -0.155 0.000 2.608 158 S HA 0.099 4.569 4.470 -0.000 0.000 0.261 158 S C -1.443 172.856 174.600 -0.502 0.000 1.314 158 S CA -0.977 56.497 58.200 -1.210 0.000 0.992 158 S CB 0.599 62.983 63.200 -1.360 0.000 0.935 158 S HN 0.421 nan 8.310 nan 0.000 0.564 159 P HA 0.107 nan 4.420 nan 0.000 0.225 159 P C -0.128 177.084 177.300 -0.147 0.000 1.156 159 P CA 0.641 63.669 63.100 -0.121 0.000 0.787 159 P CB 0.059 31.747 31.700 -0.019 0.000 0.802 160 V N -1.392 118.369 119.914 -0.256 0.000 2.925 160 V HA 0.621 4.741 4.120 -0.000 0.000 0.311 160 V C 0.844 176.758 176.094 -0.300 0.000 1.104 160 V CA 0.103 62.275 62.300 -0.213 0.000 0.954 160 V CB 1.083 32.810 31.823 -0.159 0.000 1.022 160 V HN 0.432 nan 8.190 nan 0.000 0.427 161 G N 2.806 111.463 108.800 -0.238 0.000 2.588 161 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.273 161 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.273 161 G C 0.280 174.991 174.900 -0.315 0.000 1.211 161 G CA 0.655 45.591 45.100 -0.274 0.000 0.958 161 G HN 1.716 nan 8.290 nan 0.000 0.543 162 H N 0.015 118.883 119.070 -0.336 0.000 3.474 162 H HA 0.316 4.872 4.556 -0.000 0.000 0.259 162 H C 0.377 175.643 175.328 -0.104 0.000 1.164 162 H CA 0.137 55.894 56.048 -0.484 0.000 1.078 162 H CB -0.225 29.161 29.762 -0.626 0.000 1.957 162 H HN 0.557 nan 8.280 nan 0.000 0.765 163 K N 1.814 122.076 120.400 -0.229 0.000 2.414 163 K HA 0.327 4.646 4.320 -0.000 0.000 0.272 163 K C -0.241 176.517 176.600 0.263 0.000 0.993 163 K CA -0.082 56.178 56.287 -0.046 0.000 0.964 163 K CB 1.560 33.847 32.500 -0.355 0.000 0.925 163 K HN 0.105 nan 8.250 nan 0.000 0.487 164 L N 1.749 123.145 121.223 0.289 0.000 2.341 164 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 164 L C -0.734 176.371 176.870 0.391 0.000 1.005 164 L CA -0.765 54.216 54.840 0.236 0.000 0.818 164 L CB 1.869 43.938 42.059 0.016 0.000 1.259 164 L HN 0.731 nan 8.230 nan 0.000 0.418 165 A N 4.297 127.349 122.820 0.386 0.000 2.340 165 A HA 0.696 5.015 4.320 -0.000 0.000 0.297 165 A C -1.373 176.325 177.584 0.190 0.000 1.195 165 A CA -0.375 51.828 52.037 0.276 0.000 0.769 165 A CB 0.753 19.883 19.000 0.216 0.000 1.163 165 A HN 0.622 nan 8.150 nan 0.000 0.472 166 Y N 0.072 120.350 120.300 -0.036 0.000 2.609 166 Y HA 0.820 5.370 4.550 -0.000 0.000 0.342 166 Y C -1.026 174.893 175.900 0.030 0.000 1.058 166 Y CA -1.879 56.187 58.100 -0.058 0.000 1.055 166 Y CB 0.999 39.364 38.460 -0.158 0.000 1.292 166 Y HN 0.324 nan 8.280 nan 0.000 0.476 167 V N 1.587 121.576 119.914 0.124 0.000 2.555 167 V HA 0.401 4.520 4.120 -0.000 0.000 0.302 167 V C -1.501 174.744 176.094 0.252 0.000 1.038 167 V CA -0.711 61.599 62.300 0.017 0.000 0.887 167 V CB 1.565 33.350 31.823 -0.063 0.000 0.991 167 V HN 0.885 nan 8.190 nan 0.000 0.434 168 W N 4.562 125.881 121.300 0.031 0.000 3.042 168 W HA 0.460 5.120 4.660 -0.001 0.000 0.337 168 W C 0.375 176.924 176.519 0.050 0.000 1.086 168 W CA -0.599 56.820 57.345 0.123 0.000 1.236 168 W CB 1.241 30.840 29.460 0.232 0.000 1.381 168 W HN 0.796 nan 8.180 nan 0.000 0.472 169 N N 4.983 123.303 118.700 -0.633 0.000 2.714 169 N HA -0.322 4.418 4.740 -0.000 0.000 0.250 169 N C -0.174 175.141 175.510 -0.326 0.000 1.117 169 N CA 1.053 53.743 53.050 -0.601 0.000 0.719 169 N CB -0.982 37.002 38.487 -0.838 0.000 1.081 169 N HN 0.723 nan 8.380 nan 0.000 0.557 170 N N -0.501 118.041 118.700 -0.263 0.000 2.869 170 N HA -0.121 4.619 4.740 -0.000 0.000 0.249 170 N C -1.505 173.849 175.510 -0.260 0.000 1.104 170 N CA 1.529 54.423 53.050 -0.260 0.000 0.760 170 N CB -0.805 37.490 38.487 -0.321 0.000 1.108 170 N HN 0.560 nan 8.380 nan 0.000 0.555 171 D N -0.246 119.979 120.400 -0.292 0.000 2.523 171 D HA 0.532 5.172 4.640 -0.000 0.000 0.236 171 D C 0.261 176.176 176.300 -0.642 0.000 1.094 171 D CA -0.490 53.218 54.000 -0.487 0.000 0.942 171 D CB 1.743 42.184 40.800 -0.597 0.000 1.447 171 D HN -0.060 nan 8.370 nan 0.000 0.479 172 I N 1.000 121.067 120.570 -0.839 0.000 2.412 172 I HA 0.324 4.493 4.170 -0.000 0.000 0.296 172 I C -0.911 174.609 176.117 -0.994 0.000 0.987 172 I CA -0.638 60.179 61.300 -0.805 0.000 1.180 172 I CB 0.889 38.409 38.000 -0.800 0.000 1.340 172 I HN 0.172 nan 8.210 nan 0.000 0.455 173 Y N 4.100 124.044 120.300 -0.593 0.000 2.425 173 Y HA 0.602 5.152 4.550 -0.000 0.000 0.344 173 Y C -0.337 175.403 175.900 -0.266 0.000 0.969 173 Y CA -1.030 56.749 58.100 -0.534 0.000 1.052 173 Y CB 2.238 40.133 38.460 -0.941 0.000 1.215 173 Y HN 0.151 nan 8.280 nan 0.000 0.451 174 V N 3.289 123.287 119.914 0.139 0.000 2.581 174 V HA 0.489 4.609 4.120 -0.000 0.000 0.303 174 V C -0.559 175.739 176.094 0.340 0.000 1.041 174 V CA -1.237 61.220 62.300 0.262 0.000 0.907 174 V CB 1.824 33.811 31.823 0.273 0.000 0.994 174 V HN 0.633 nan 8.190 nan 0.000 0.442 175 K N 3.615 124.202 120.400 0.312 0.000 2.640 175 K HA 0.516 4.836 4.320 -0.000 0.000 0.245 175 K C 0.304 177.029 176.600 0.207 0.000 0.962 175 K CA -0.441 55.972 56.287 0.210 0.000 0.896 175 K CB 1.664 34.251 32.500 0.144 0.000 1.147 175 K HN 0.591 nan 8.250 nan 0.000 0.445 176 I N 1.564 122.265 120.570 0.218 0.000 2.928 176 I HA -0.113 4.056 4.170 -0.000 0.000 0.266 176 I C -0.366 175.858 176.117 0.179 0.000 1.234 176 I CA 1.054 62.457 61.300 0.172 0.000 1.483 176 I CB 0.173 38.281 38.000 0.181 0.000 1.097 176 I HN 0.453 nan 8.210 nan 0.000 0.455 177 E N 0.842 121.112 120.200 0.117 0.000 2.281 177 E HA 0.183 4.532 4.350 -0.000 0.000 0.266 177 E C -2.011 174.603 176.600 0.024 0.000 0.893 177 E CA -1.583 54.845 56.400 0.046 0.000 0.798 177 E CB 1.301 31.032 29.700 0.051 0.000 1.245 177 E HN -0.146 nan 8.360 nan 0.000 0.410 178 P HA -0.166 nan 4.420 nan 0.000 0.238 178 P C -0.067 177.259 177.300 0.044 0.000 1.175 178 P CA 0.879 64.002 63.100 0.039 0.000 0.757 178 P CB 0.427 32.196 31.700 0.116 0.000 0.839 179 N N -0.567 118.157 118.700 0.040 0.000 2.322 179 N HA 0.103 4.843 4.740 -0.000 0.000 0.181 179 N C 0.937 176.439 175.510 -0.013 0.000 1.088 179 N CA 0.115 53.181 53.050 0.028 0.000 0.885 179 N CB 0.203 38.719 38.487 0.047 0.000 1.013 179 N HN 0.291 nan 8.380 nan 0.000 0.472 180 L N -1.701 119.499 121.223 -0.039 0.000 2.347 180 L HA 0.763 5.103 4.340 -0.000 0.000 0.268 180 L C -2.320 174.478 176.870 -0.121 0.000 1.019 180 L CA -1.884 52.912 54.840 -0.073 0.000 0.806 180 L CB 0.360 42.370 42.059 -0.081 0.000 1.339 180 L HN -0.237 nan 8.230 nan 0.000 0.463 181 P HA 0.076 nan 4.420 nan 0.000 0.278 181 P C -0.764 176.394 177.300 -0.236 0.000 1.270 181 P CA -0.193 62.800 63.100 -0.178 0.000 0.800 181 P CB 0.452 32.059 31.700 -0.156 0.000 1.142 182 S N -1.815 113.745 115.700 -0.234 0.000 2.689 182 S HA 0.493 4.963 4.470 -0.000 0.000 0.306 182 S C -0.852 173.643 174.600 -0.174 0.000 1.104 182 S CA -0.252 57.828 58.200 -0.201 0.000 0.973 182 S CB 0.470 63.627 63.200 -0.073 0.000 1.121 182 S HN 0.250 nan 8.310 nan 0.000 0.523 183 Y N 1.422 121.775 120.300 0.089 0.000 2.404 183 Y HA 0.351 4.901 4.550 -0.000 0.000 0.344 183 Y C 0.912 176.844 175.900 0.055 0.000 0.970 183 Y CA -0.601 57.549 58.100 0.083 0.000 1.180 183 Y CB 0.405 38.910 38.460 0.076 0.000 1.138 183 Y HN 0.295 nan 8.280 nan 0.000 0.510 184 R N 4.155 124.735 120.500 0.133 0.000 2.404 184 R HA 0.064 4.404 4.340 -0.000 0.000 0.315 184 R C 0.510 176.465 176.300 -0.576 0.000 1.032 184 R CA 0.247 56.126 56.100 -0.368 0.000 0.992 184 R CB 0.458 30.269 30.300 -0.815 0.000 0.959 184 R HN 0.740 nan 8.270 nan 0.000 0.428 185 I N 1.404 121.599 120.570 -0.624 0.000 2.429 185 I HA -0.079 4.090 4.170 -0.000 0.000 0.247 185 I C 1.398 177.260 176.117 -0.426 0.000 1.099 185 I CA 1.274 62.330 61.300 -0.408 0.000 1.422 185 I CB -0.646 37.089 38.000 -0.442 0.000 1.112 185 I HN 0.460 nan 8.210 nan 0.000 0.430 186 T N -3.598 110.544 114.554 -0.687 0.000 2.885 186 T HA 0.328 4.678 4.350 -0.000 0.000 0.285 186 T C 0.286 174.687 174.700 -0.499 0.000 1.019 186 T CA -0.594 61.244 62.100 -0.436 0.000 1.010 186 T CB 2.299 70.883 68.868 -0.473 0.000 1.022 186 T HN 0.231 nan 8.240 nan 0.000 0.466 187 W N 0.550 121.745 121.300 -0.176 0.000 2.904 187 W HA 0.041 4.701 4.660 -0.000 0.000 0.265 187 W C 2.170 178.635 176.519 -0.089 0.000 1.138 187 W CA 0.494 57.777 57.345 -0.103 0.000 1.455 187 W CB -0.092 29.336 29.460 -0.053 0.000 0.924 187 W HN 0.908 nan 8.180 nan 0.000 0.619 188 T N -0.796 113.821 114.554 0.106 0.000 3.118 188 T HA -0.001 4.348 4.350 -0.000 0.000 0.269 188 T C 1.157 175.850 174.700 -0.012 0.000 1.166 188 T CA 0.712 62.840 62.100 0.046 0.000 1.073 188 T CB -0.767 68.119 68.868 0.030 0.000 0.884 188 T HN -0.005 nan 8.240 nan 0.000 0.550 189 G N 1.070 109.828 108.800 -0.071 0.000 2.225 189 G HA2 0.323 4.282 3.960 -0.000 0.000 0.245 189 G HA3 0.323 4.282 3.960 -0.000 0.000 0.245 189 G C -0.550 174.293 174.900 -0.096 0.000 1.249 189 G CA -0.498 44.531 45.100 -0.119 0.000 0.919 189 G HN 0.596 nan 8.290 nan 0.000 0.486 190 K N 2.297 122.630 120.400 -0.111 0.000 2.513 190 K HA 0.191 4.511 4.320 -0.000 0.000 0.251 190 K C -0.097 176.416 176.600 -0.146 0.000 0.939 190 K CA -0.677 55.555 56.287 -0.092 0.000 0.793 190 K CB 1.517 33.999 32.500 -0.029 0.000 1.241 190 K HN 0.619 nan 8.250 nan 0.000 0.431 191 E N 3.836 123.952 120.200 -0.141 0.000 2.463 191 E HA -0.087 4.263 4.350 -0.000 0.000 0.248 191 E C -0.748 175.796 176.600 -0.094 0.000 1.106 191 E CA 0.270 56.578 56.400 -0.155 0.000 0.946 191 E CB -0.028 29.601 29.700 -0.118 0.000 0.971 191 E HN 0.574 nan 8.360 nan 0.000 0.478 192 D N 1.829 122.142 120.400 -0.144 0.000 3.099 192 D HA -0.179 4.461 4.640 -0.000 0.000 0.213 192 D C 0.314 176.745 176.300 0.218 0.000 1.121 192 D CA 0.828 54.883 54.000 0.092 0.000 0.951 192 D CB -0.454 40.422 40.800 0.126 0.000 1.102 192 D HN 0.442 nan 8.370 nan 0.000 0.423 193 I N -0.950 119.690 120.570 0.117 0.000 3.664 193 I HA 0.110 4.280 4.170 -0.000 0.000 0.251 193 I C 0.844 177.122 176.117 0.267 0.000 1.134 193 I CA 0.432 61.846 61.300 0.191 0.000 1.520 193 I CB -0.163 37.892 38.000 0.091 0.000 1.638 193 I HN -0.141 nan 8.210 nan 0.000 0.431 194 I N 2.052 122.689 120.570 0.113 0.000 2.330 194 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 194 I C -1.145 175.000 176.117 0.047 0.000 1.001 194 I CA -0.643 60.744 61.300 0.145 0.000 1.193 194 I CB 0.283 38.316 38.000 0.055 0.000 1.345 194 I HN 0.063 nan 8.210 nan 0.000 0.461 195 Y N 4.736 125.092 120.300 0.093 0.000 2.491 195 Y HA 0.360 4.909 4.550 -0.001 0.000 0.334 195 Y C 0.502 176.411 175.900 0.016 0.000 0.969 195 Y CA -0.714 57.441 58.100 0.091 0.000 1.241 195 Y CB 0.606 39.215 38.460 0.249 0.000 1.105 195 Y HN 0.424 nan 8.280 nan 0.000 0.503 196 N N 2.267 120.957 118.700 -0.017 0.000 2.457 196 N HA 0.338 5.077 4.740 -0.000 0.000 0.250 196 N C 0.894 176.265 175.510 -0.231 0.000 0.982 196 N CA 0.595 53.562 53.050 -0.140 0.000 0.941 196 N CB 1.727 40.046 38.487 -0.280 0.000 1.120 196 N HN 0.959 nan 8.380 nan 0.000 0.505 197 G N 1.806 110.495 108.800 -0.185 0.000 2.199 197 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.254 197 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.254 197 G C 0.127 174.878 174.900 -0.248 0.000 0.982 197 G CA 0.544 45.482 45.100 -0.270 0.000 0.632 197 G HN 0.636 nan 8.290 nan 0.000 0.529 198 I N -1.587 118.921 120.570 -0.103 0.000 2.969 198 I HA 0.799 4.968 4.170 -0.000 0.000 0.307 198 I C 0.295 176.550 176.117 0.230 0.000 1.149 198 I CA -0.646 60.550 61.300 -0.173 0.000 1.008 198 I CB 1.938 39.668 38.000 -0.451 0.000 1.232 198 I HN 0.190 nan 8.210 nan 0.000 0.435 199 T N -0.401 114.202 114.554 0.081 0.000 2.899 199 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 199 T C -0.038 174.524 174.700 -0.229 0.000 1.004 199 T CA -0.531 61.442 62.100 -0.213 0.000 1.043 199 T CB 1.340 70.047 68.868 -0.268 0.000 1.013 199 T HN 0.785 nan 8.240 nan 0.000 0.518 200 D N 0.259 120.201 120.400 -0.764 0.000 2.430 200 D HA 0.040 4.680 4.640 -0.000 0.000 0.285 200 D C 1.022 177.211 176.300 -0.185 0.000 1.210 200 D CA -0.863 52.663 54.000 -0.790 0.000 1.080 200 D CB -0.168 40.025 40.800 -1.011 0.000 1.134 200 D HN 0.675 nan 8.370 nan 0.000 0.562 201 W N -0.470 120.733 121.300 -0.162 0.000 2.408 201 W HA -0.088 4.571 4.660 -0.001 0.000 0.311 201 W C 2.258 178.621 176.519 -0.260 0.000 1.190 201 W CA 1.624 58.886 57.345 -0.139 0.000 1.321 201 W CB -0.432 28.926 29.460 -0.170 0.000 1.143 201 W HN 0.129 nan 8.180 nan 0.000 0.501 202 V N 0.117 120.114 119.914 0.139 0.000 2.515 202 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 202 V C 1.770 177.686 176.094 -0.296 0.000 1.058 202 V CA 1.896 64.188 62.300 -0.013 0.000 1.064 202 V CB -0.686 31.081 31.823 -0.094 0.000 0.675 202 V HN 0.305 nan 8.190 nan 0.000 0.461 203 Y N 0.319 120.319 120.300 -0.501 0.000 2.395 203 Y HA -0.080 4.469 4.550 -0.001 0.000 0.293 203 Y C 2.560 178.133 175.900 -0.544 0.000 1.123 203 Y CA 1.828 59.510 58.100 -0.698 0.000 1.227 203 Y CB 0.100 37.826 38.460 -1.223 0.000 1.012 203 Y HN 0.376 nan 8.280 nan 0.000 0.552 204 E N 0.249 120.282 120.200 -0.278 0.000 2.046 204 E HA -0.224 4.126 4.350 -0.000 0.000 0.190 204 E C 1.882 178.390 176.600 -0.154 0.000 0.982 204 E CA 1.259 57.571 56.400 -0.146 0.000 0.800 204 E CB 0.130 29.765 29.700 -0.109 0.000 0.756 204 E HN 0.381 nan 8.360 nan 0.000 0.449 205 E N 0.562 120.504 120.200 -0.430 0.000 2.014 205 E HA -0.149 4.200 4.350 -0.000 0.000 0.190 205 E C 1.956 178.471 176.600 -0.142 0.000 0.980 205 E CA 1.556 57.725 56.400 -0.385 0.000 0.807 205 E CB 0.032 29.176 29.700 -0.927 0.000 0.770 205 E HN 0.172 nan 8.360 nan 0.000 0.451 206 E N -0.172 119.927 120.200 -0.170 0.000 2.075 206 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 206 E C 2.246 178.783 176.600 -0.104 0.000 0.969 206 E CA 0.916 57.279 56.400 -0.063 0.000 0.815 206 E CB -0.231 29.429 29.700 -0.067 0.000 0.776 206 E HN 0.201 nan 8.360 nan 0.000 0.457 207 V N 1.230 120.992 119.914 -0.253 0.000 2.300 207 V HA -0.134 3.986 4.120 -0.000 0.000 0.233 207 V C 2.253 178.448 176.094 0.168 0.000 1.052 207 V CA 1.357 63.540 62.300 -0.196 0.000 1.026 207 V CB -0.713 30.779 31.823 -0.552 0.000 0.661 207 V HN 0.036 nan 8.190 nan 0.000 0.470 208 F N 0.391 120.364 119.950 0.039 0.000 2.146 208 F HA 0.099 4.626 4.527 -0.001 0.000 0.298 208 F C 2.101 177.899 175.800 -0.003 0.000 1.096 208 F CA 1.004 59.053 58.000 0.082 0.000 1.275 208 F CB -1.076 38.026 39.000 0.170 0.000 1.008 208 F HN 0.368 nan 8.300 nan 0.000 0.480 209 S N -1.019 114.762 115.700 0.135 0.000 3.576 209 S HA 0.044 4.513 4.470 -0.000 0.000 0.294 209 S C -0.232 174.132 174.600 -0.393 0.000 1.224 209 S CA 0.354 58.537 58.200 -0.028 0.000 0.866 209 S CB -1.612 61.590 63.200 0.004 0.000 1.017 209 S HN 0.906 nan 8.310 nan 0.000 0.597 210 A N -0.165 122.538 122.820 -0.195 0.000 2.594 210 A HA 0.614 4.934 4.320 -0.000 0.000 0.296 210 A C -0.232 177.336 177.584 -0.028 0.000 1.056 210 A CA 0.046 51.928 52.037 -0.258 0.000 0.693 210 A CB 0.041 18.944 19.000 -0.161 0.000 1.278 210 A HN 0.710 nan 8.150 nan 0.000 0.408 211 Y N 2.224 122.353 120.300 -0.285 0.000 2.089 211 Y HA -0.032 4.517 4.550 -0.000 0.000 0.282 211 Y C 1.886 177.454 175.900 -0.553 0.000 1.139 211 Y CA 2.031 59.905 58.100 -0.377 0.000 1.123 211 Y CB -0.322 37.862 38.460 -0.459 0.000 0.980 211 Y HN 0.812 nan 8.280 nan 0.000 0.493 212 S N 0.330 115.391 115.700 -1.064 0.000 2.563 212 S HA 0.223 4.693 4.470 -0.000 0.000 0.294 212 S C 0.482 174.753 174.600 -0.548 0.000 1.279 212 S CA 0.186 57.710 58.200 -1.127 0.000 1.069 212 S CB 0.271 62.866 63.200 -1.009 0.000 0.828 212 S HN 0.495 nan 8.310 nan 0.000 0.497 213 A N 4.779 127.270 122.820 -0.548 0.000 2.631 213 A HA 0.495 4.815 4.320 -0.000 0.000 0.294 213 A C -0.019 176.843 177.584 -1.203 0.000 1.156 213 A CA -0.622 51.137 52.037 -0.464 0.000 0.963 213 A CB -0.387 18.731 19.000 0.196 0.000 1.202 213 A HN 0.963 nan 8.150 nan 0.000 0.523 214 L N -5.598 114.800 121.223 -1.375 0.000 2.333 214 L HA 0.940 5.280 4.340 -0.000 0.000 0.263 214 L C -1.255 174.864 176.870 -1.251 0.000 1.014 214 L CA -0.935 53.266 54.840 -1.064 0.000 0.820 214 L CB 1.442 43.196 42.059 -0.508 0.000 1.352 214 L HN 0.189 nan 8.230 nan 0.000 0.421 215 W N 1.222 122.536 121.300 0.024 0.000 2.934 215 W HA 0.281 4.941 4.660 -0.001 0.000 0.333 215 W C -1.523 175.146 176.519 0.250 0.000 1.035 215 W CA -0.870 56.589 57.345 0.189 0.000 1.256 215 W CB 1.118 30.745 29.460 0.278 0.000 1.306 215 W HN 0.617 nan 8.180 nan 0.000 0.430 216 W N 1.802 123.294 121.300 0.320 0.000 2.137 216 W HA 0.230 4.890 4.660 -0.000 0.000 0.344 216 W C 1.268 177.687 176.519 -0.166 0.000 1.286 216 W CA 0.628 58.047 57.345 0.123 0.000 1.240 216 W CB 0.683 30.182 29.460 0.065 0.000 1.141 216 W HN 0.127 nan 8.180 nan 0.000 0.579 217 S N 2.365 117.995 115.700 -0.117 0.000 2.614 217 S HA 0.170 4.640 4.470 -0.000 0.000 0.265 217 S C -1.442 172.946 174.600 -0.352 0.000 1.303 217 S CA -1.104 56.551 58.200 -0.907 0.000 1.000 217 S CB 0.846 63.714 63.200 -0.553 0.000 0.935 217 S HN 0.191 nan 8.310 nan 0.000 0.551 218 P HA -0.130 nan 4.420 nan 0.000 0.215 218 P C 0.610 177.865 177.300 -0.075 0.000 1.157 218 P CA 1.456 64.508 63.100 -0.080 0.000 0.874 218 P CB -0.140 31.554 31.700 -0.011 0.000 0.790 219 N N -1.621 117.019 118.700 -0.100 0.000 2.313 219 N HA 0.114 4.854 4.740 -0.000 0.000 0.207 219 N C 1.127 176.544 175.510 -0.155 0.000 1.141 219 N CA 0.475 53.460 53.050 -0.109 0.000 0.830 219 N CB -1.071 37.362 38.487 -0.088 0.000 1.008 219 N HN 0.163 nan 8.380 nan 0.000 0.481 220 G N -0.834 107.887 108.800 -0.132 0.000 2.196 220 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.268 220 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.268 220 G C 1.099 176.017 174.900 0.029 0.000 0.975 220 G CA 1.082 46.117 45.100 -0.107 0.000 0.648 220 G HN 0.402 nan 8.290 nan 0.000 0.538 221 T N -0.064 114.417 114.554 -0.122 0.000 2.652 221 T HA 0.075 4.425 4.350 -0.000 0.000 0.267 221 T C 0.904 175.468 174.700 -0.227 0.000 1.039 221 T CA 1.515 63.440 62.100 -0.292 0.000 1.153 221 T CB -0.165 68.318 68.868 -0.642 0.000 0.863 221 T HN 0.307 nan 8.240 nan 0.000 0.428 222 F N 0.176 120.165 119.950 0.065 0.000 2.397 222 F HA 0.624 5.151 4.527 -0.000 0.000 0.331 222 F C -0.117 175.757 175.800 0.123 0.000 1.090 222 F CA -1.557 56.505 58.000 0.104 0.000 1.065 222 F CB 1.012 40.076 39.000 0.108 0.000 1.184 222 F HN -0.094 nan 8.300 nan 0.000 0.499 223 L N 2.563 123.925 121.223 0.231 0.000 2.404 223 L HA 0.809 5.149 4.340 -0.000 0.000 0.272 223 L C -0.834 176.075 176.870 0.064 0.000 0.980 223 L CA -0.572 54.190 54.840 -0.131 0.000 0.836 223 L CB 0.910 42.567 42.059 -0.670 0.000 1.238 223 L HN 0.679 nan 8.230 nan 0.000 0.408 224 A N 4.217 127.117 122.820 0.135 0.000 2.311 224 A HA 0.920 5.239 4.320 -0.000 0.000 0.334 224 A C -1.416 176.183 177.584 0.026 0.000 1.139 224 A CA -0.236 51.762 52.037 -0.064 0.000 0.830 224 A CB 1.004 19.923 19.000 -0.134 0.000 1.234 224 A HN 0.908 nan 8.150 nan 0.000 0.483 225 Y N -2.762 117.341 120.300 -0.328 0.000 2.853 225 Y HA 0.817 5.367 4.550 -0.001 0.000 0.326 225 Y C -0.378 175.447 175.900 -0.126 0.000 1.384 225 Y CA -0.924 57.061 58.100 -0.192 0.000 1.077 225 Y CB 0.647 38.940 38.460 -0.278 0.000 1.395 225 Y HN 1.138 nan 8.280 nan 0.000 0.451 226 A N 0.663 123.604 122.820 0.202 0.000 2.485 226 A HA 0.752 5.072 4.320 -0.000 0.000 0.292 226 A C -1.738 175.803 177.584 -0.072 0.000 1.147 226 A CA -0.834 51.231 52.037 0.046 0.000 0.750 226 A CB 2.223 21.237 19.000 0.023 0.000 1.331 226 A HN 0.823 nan 8.150 nan 0.000 0.419 227 Q N 0.867 120.530 119.800 -0.227 0.000 2.275 227 Q HA 0.558 4.898 4.340 -0.000 0.000 0.266 227 Q C -2.129 173.705 176.000 -0.276 0.000 1.002 227 Q CA -0.335 55.384 55.803 -0.140 0.000 0.761 227 Q CB 0.960 29.745 28.738 0.080 0.000 1.255 227 Q HN 0.557 nan 8.270 nan 0.000 0.446 228 F N 2.660 122.685 119.950 0.125 0.000 2.410 228 F HA 0.332 4.858 4.527 -0.000 0.000 0.349 228 F C 0.683 176.581 175.800 0.163 0.000 1.117 228 F CA -0.852 57.176 58.000 0.046 0.000 1.104 228 F CB 0.959 39.850 39.000 -0.182 0.000 1.122 228 F HN 0.453 nan 8.300 nan 0.000 0.483 229 N N 2.766 121.636 118.700 0.284 0.000 2.500 229 N HA 0.119 4.859 4.740 -0.000 0.000 0.236 229 N C -0.631 175.010 175.510 0.218 0.000 1.022 229 N CA -0.214 52.978 53.050 0.236 0.000 0.935 229 N CB 0.451 39.040 38.487 0.171 0.000 1.147 229 N HN 0.521 nan 8.380 nan 0.000 0.512 230 D N 1.752 122.302 120.400 0.250 0.000 2.460 230 D HA 0.099 4.739 4.640 -0.000 0.000 0.229 230 D C 1.193 177.592 176.300 0.164 0.000 1.170 230 D CA 0.098 54.217 54.000 0.199 0.000 0.827 230 D CB 0.473 41.409 40.800 0.227 0.000 0.973 230 D HN 0.460 nan 8.370 nan 0.000 0.496 231 T N 0.299 114.938 114.554 0.141 0.000 2.536 231 T HA -0.249 4.101 4.350 -0.000 0.000 0.263 231 T C 1.464 176.215 174.700 0.086 0.000 1.115 231 T CA 1.305 63.469 62.100 0.106 0.000 1.180 231 T CB -0.163 68.758 68.868 0.088 0.000 0.864 231 T HN 0.280 nan 8.240 nan 0.000 0.419 232 E N 0.663 120.909 120.200 0.077 0.000 2.445 232 E HA 0.163 4.513 4.350 -0.000 0.000 0.189 232 E C -0.364 176.274 176.600 0.064 0.000 1.069 232 E CA -0.342 56.095 56.400 0.061 0.000 0.871 232 E CB 0.192 29.922 29.700 0.049 0.000 0.991 232 E HN 0.210 nan 8.360 nan 0.000 0.481 233 V N 3.717 123.680 119.914 0.082 0.000 2.637 233 V HA 0.074 4.194 4.120 -0.000 0.000 0.296 233 V C -1.676 174.462 176.094 0.074 0.000 1.046 233 V CA -1.252 61.098 62.300 0.084 0.000 1.066 233 V CB 0.447 32.332 31.823 0.104 0.000 0.968 233 V HN 0.128 nan 8.190 nan 0.000 0.483 234 P HA 0.385 nan 4.420 nan 0.000 0.276 234 P C -1.103 176.223 177.300 0.044 0.000 1.252 234 P CA -0.434 62.692 63.100 0.042 0.000 0.802 234 P CB 1.037 32.755 31.700 0.030 0.000 1.035 235 L N 1.304 122.532 121.223 0.008 0.000 2.334 235 L HA 0.494 4.833 4.340 -0.000 0.000 0.276 235 L C 0.462 177.267 176.870 -0.108 0.000 1.014 235 L CA -1.157 53.674 54.840 -0.015 0.000 0.815 235 L CB 1.486 43.542 42.059 -0.005 0.000 1.268 235 L HN 0.277 nan 8.230 nan 0.000 0.428 236 I N 1.872 122.331 120.570 -0.185 0.000 2.342 236 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 236 I C -0.466 175.527 176.117 -0.207 0.000 1.010 236 I CA 0.323 61.403 61.300 -0.366 0.000 1.308 236 I CB 0.827 38.343 38.000 -0.806 0.000 1.400 236 I HN 0.554 nan 8.210 nan 0.000 0.488 237 E N 7.893 127.988 120.200 -0.174 0.000 2.145 237 E HA 0.361 4.711 4.350 -0.000 0.000 0.262 237 E C -1.526 175.041 176.600 -0.055 0.000 0.883 237 E CA -0.503 55.809 56.400 -0.147 0.000 0.748 237 E CB 1.099 30.728 29.700 -0.118 0.000 1.140 237 E HN 0.618 nan 8.360 nan 0.000 0.417 238 Y N -0.647 119.599 120.300 -0.090 0.000 2.753 238 Y HA 0.729 5.279 4.550 -0.000 0.000 0.324 238 Y C -0.115 175.741 175.900 -0.074 0.000 1.147 238 Y CA -1.575 56.482 58.100 -0.073 0.000 1.173 238 Y CB 0.797 39.237 38.460 -0.034 0.000 1.361 238 Y HN 0.089 nan 8.280 nan 0.000 0.545 239 S N 0.731 116.472 115.700 0.070 0.000 2.472 239 S HA 0.524 4.994 4.470 -0.000 0.000 0.303 239 S C -1.824 172.623 174.600 -0.255 0.000 1.099 239 S CA -0.507 57.582 58.200 -0.185 0.000 1.077 239 S CB 0.783 63.768 63.200 -0.359 0.000 1.031 239 S HN 0.499 nan 8.310 nan 0.000 0.487 240 F N 2.809 122.531 119.950 -0.381 0.000 2.444 240 F HA 0.477 5.004 4.527 -0.000 0.000 0.342 240 F C -0.040 175.536 175.800 -0.373 0.000 1.121 240 F CA -0.937 56.908 58.000 -0.258 0.000 0.997 240 F CB 0.662 39.631 39.000 -0.051 0.000 1.130 240 F HN 0.684 nan 8.300 nan 0.000 0.454 241 Y N 2.701 122.728 120.300 -0.456 0.000 2.201 241 Y HA 0.136 4.686 4.550 -0.000 0.000 0.292 241 Y C 1.657 177.394 175.900 -0.271 0.000 1.119 241 Y CA 1.205 59.139 58.100 -0.278 0.000 1.127 241 Y CB -0.709 37.612 38.460 -0.232 0.000 1.019 241 Y HN 0.689 nan 8.280 nan 0.000 0.514 242 S N -0.572 114.896 115.700 -0.387 0.000 4.024 242 S HA -0.194 4.276 4.470 -0.000 0.000 0.651 242 S C -0.945 173.651 174.600 -0.007 0.000 1.390 242 S CA -0.378 57.761 58.200 -0.102 0.000 1.539 242 S CB -1.193 62.088 63.200 0.136 0.000 0.334 242 S HN 0.457 nan 8.310 nan 0.000 1.574 243 D N 1.967 122.397 120.400 0.051 0.000 2.515 243 D HA 0.032 4.671 4.640 -0.000 0.000 0.232 243 D C 1.607 177.926 176.300 0.031 0.000 1.157 243 D CA 0.844 54.868 54.000 0.040 0.000 0.871 243 D CB 0.259 41.091 40.800 0.053 0.000 1.200 243 D HN 0.708 nan 8.370 nan 0.000 0.466 244 E N -0.104 120.106 120.200 0.017 0.000 2.267 244 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 244 E C 1.313 177.926 176.600 0.021 0.000 0.998 244 E CA 1.010 57.416 56.400 0.011 0.000 0.830 244 E CB -0.143 29.554 29.700 -0.004 0.000 0.751 244 E HN 0.339 nan 8.360 nan 0.000 0.491 245 S N 0.455 116.172 115.700 0.029 0.000 2.571 245 S HA -0.112 4.358 4.470 -0.000 0.000 0.245 245 S C 0.746 175.374 174.600 0.046 0.000 0.976 245 S CA 0.212 58.432 58.200 0.034 0.000 0.954 245 S CB -0.324 62.898 63.200 0.037 0.000 0.756 245 S HN 0.315 nan 8.310 nan 0.000 0.535 246 L N 1.770 123.025 121.223 0.054 0.000 2.262 246 L HA 0.436 4.776 4.340 -0.000 0.000 0.288 246 L C 1.091 178.003 176.870 0.070 0.000 1.035 246 L CA -0.368 54.516 54.840 0.073 0.000 0.820 246 L CB 1.223 43.334 42.059 0.087 0.000 1.204 246 L HN 0.173 nan 8.230 nan 0.000 0.424 247 Q N 4.029 123.881 119.800 0.087 0.000 1.993 247 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 247 Q C -0.455 175.547 176.000 0.004 0.000 0.984 247 Q CA 1.684 57.521 55.803 0.058 0.000 0.837 247 Q CB -0.043 28.777 28.738 0.137 0.000 0.902 247 Q HN 0.681 nan 8.270 nan 0.000 0.423 248 Y N 0.870 121.184 120.300 0.023 0.000 2.328 248 Y HA 0.344 4.894 4.550 -0.000 0.000 0.337 248 Y C -1.895 174.016 175.900 0.018 0.000 1.008 248 Y CA -2.803 55.309 58.100 0.019 0.000 1.129 248 Y CB 1.210 39.675 38.460 0.008 0.000 1.185 248 Y HN 0.256 nan 8.280 nan 0.000 0.476 249 P HA -0.027 nan 4.420 nan 0.000 0.269 249 P C -0.869 176.449 177.300 0.030 0.000 1.211 249 P CA -0.300 62.822 63.100 0.037 0.000 0.781 249 P CB 0.631 32.317 31.700 -0.023 0.000 0.877 250 K N 0.414 120.806 120.400 -0.014 0.000 2.156 250 K HA 0.405 4.725 4.320 -0.000 0.000 0.254 250 K C -0.855 175.714 176.600 -0.051 0.000 0.950 250 K CA -0.395 55.898 56.287 0.010 0.000 0.849 250 K CB 0.804 33.353 32.500 0.082 0.000 1.100 250 K HN 0.268 nan 8.250 nan 0.000 0.434 251 T N 3.141 117.654 114.554 -0.068 0.000 2.853 251 T HA 0.195 4.545 4.350 -0.000 0.000 0.317 251 T C -0.523 174.065 174.700 -0.186 0.000 1.059 251 T CA -0.539 61.487 62.100 -0.124 0.000 0.954 251 T CB 0.609 69.421 68.868 -0.093 0.000 0.994 251 T HN 0.307 nan 8.240 nan 0.000 0.479 252 V N 5.249 124.965 119.914 -0.331 0.000 2.655 252 V HA 0.280 4.399 4.120 -0.000 0.000 0.300 252 V C 0.587 176.424 176.094 -0.428 0.000 1.044 252 V CA 0.105 62.129 62.300 -0.460 0.000 1.095 252 V CB 0.382 31.660 31.823 -0.908 0.000 0.952 252 V HN 0.705 nan 8.190 nan 0.000 0.485 253 R N 2.995 123.365 120.500 -0.217 0.000 2.518 253 R HA 0.648 4.988 4.340 -0.000 0.000 0.296 253 R C -1.416 174.894 176.300 0.017 0.000 1.080 253 R CA -0.401 55.630 56.100 -0.114 0.000 0.922 253 R CB 2.182 32.437 30.300 -0.075 0.000 1.184 253 R HN 0.550 nan 8.270 nan 0.000 0.445 254 V N 3.277 123.231 119.914 0.067 0.000 2.656 254 V HA 0.632 4.751 4.120 -0.000 0.000 0.307 254 V C -2.696 173.499 176.094 0.168 0.000 1.051 254 V CA -2.818 59.609 62.300 0.212 0.000 0.893 254 V CB 2.566 34.621 31.823 0.388 0.000 0.999 254 V HN 0.488 nan 8.190 nan 0.000 0.426 255 P HA 0.270 nan 4.420 nan 0.000 0.271 255 P C -1.876 175.551 177.300 0.212 0.000 1.233 255 P CA 0.489 63.700 63.100 0.185 0.000 0.764 255 P CB -0.132 31.695 31.700 0.211 0.000 0.825 256 Y N 5.859 126.136 120.300 -0.039 0.000 2.362 256 Y HA 0.441 4.990 4.550 -0.001 0.000 0.326 256 Y C -2.987 172.857 175.900 -0.093 0.000 1.083 256 Y CA -2.948 55.074 58.100 -0.131 0.000 1.073 256 Y CB 1.680 39.943 38.460 -0.328 0.000 1.211 256 Y HN 0.306 nan 8.280 nan 0.000 0.433 257 P HA 0.368 nan 4.420 nan 0.000 0.287 257 P C -1.233 176.128 177.300 0.102 0.000 1.281 257 P CA -0.351 62.792 63.100 0.072 0.000 0.781 257 P CB 1.080 32.790 31.700 0.017 0.000 0.903 258 K N 1.779 122.289 120.400 0.183 0.000 2.118 258 K HA 0.630 4.950 4.320 -0.000 0.000 0.254 258 K C -0.007 176.689 176.600 0.160 0.000 0.961 258 K CA -0.997 55.418 56.287 0.213 0.000 0.876 258 K CB 1.368 34.000 32.500 0.220 0.000 1.077 258 K HN 0.444 nan 8.250 nan 0.000 0.440 259 A N 1.397 124.345 122.820 0.213 0.000 2.568 259 A HA 0.095 4.415 4.320 -0.000 0.000 0.273 259 A C 1.224 178.869 177.584 0.101 0.000 0.978 259 A CA 1.477 53.644 52.037 0.217 0.000 0.946 259 A CB -1.462 17.772 19.000 0.390 0.000 0.842 259 A HN 1.013 nan 8.150 nan 0.000 0.484 260 G N 0.884 109.730 108.800 0.077 0.000 2.195 260 G HA2 0.122 4.082 3.960 -0.000 0.000 0.246 260 G HA3 0.122 4.082 3.960 -0.000 0.000 0.246 260 G C 0.763 175.679 174.900 0.026 0.000 0.984 260 G CA 0.881 45.994 45.100 0.022 0.000 0.633 260 G HN 2.260 nan 8.290 nan 0.000 0.525 261 A N -0.298 122.551 122.820 0.049 0.000 2.260 261 A HA 0.702 5.022 4.320 -0.000 0.000 0.278 261 A C 0.905 178.514 177.584 0.042 0.000 1.269 261 A CA 0.472 52.536 52.037 0.045 0.000 0.824 261 A CB 0.306 19.344 19.000 0.063 0.000 1.238 261 A HN 1.147 nan 8.150 nan 0.000 0.507 262 V N 2.588 122.528 119.914 0.042 0.000 2.397 262 V HA 0.038 4.157 4.120 -0.000 0.000 0.262 262 V C 0.344 176.471 176.094 0.055 0.000 1.047 262 V CA -0.338 61.986 62.300 0.041 0.000 1.003 262 V CB -0.806 31.042 31.823 0.041 0.000 1.037 262 V HN 0.714 nan 8.190 nan 0.000 0.480 263 N N 6.887 125.616 118.700 0.049 0.000 2.399 263 N HA 0.343 5.083 4.740 -0.000 0.000 0.250 263 N C -2.218 173.350 175.510 0.097 0.000 1.272 263 N CA -1.169 51.929 53.050 0.080 0.000 0.928 263 N CB 0.740 39.260 38.487 0.055 0.000 1.158 263 N HN 0.404 nan 8.380 nan 0.000 0.463 264 P HA 0.180 nan 4.420 nan 0.000 0.292 264 P C -0.658 176.778 177.300 0.227 0.000 1.283 264 P CA -0.426 62.786 63.100 0.188 0.000 0.835 264 P CB 0.804 32.621 31.700 0.195 0.000 1.017 265 T N -0.501 114.159 114.554 0.176 0.000 2.904 265 T HA 0.444 4.793 4.350 -0.000 0.000 0.290 265 T C 0.059 174.895 174.700 0.226 0.000 1.018 265 T CA -0.555 61.633 62.100 0.147 0.000 1.075 265 T CB 1.082 70.010 68.868 0.100 0.000 0.986 265 T HN 0.309 nan 8.240 nan 0.000 0.523 266 V N 1.138 121.187 119.914 0.225 0.000 2.914 266 V HA 0.780 4.899 4.120 -0.000 0.000 0.314 266 V C -1.510 174.726 176.094 0.236 0.000 1.084 266 V CA -0.947 61.475 62.300 0.203 0.000 0.963 266 V CB 2.014 34.027 31.823 0.317 0.000 1.025 266 V HN 1.052 nan 8.190 nan 0.000 0.432 267 K N 4.926 125.430 120.400 0.174 0.000 2.553 267 K HA 0.379 4.699 4.320 -0.000 0.000 0.250 267 K C -1.905 174.807 176.600 0.185 0.000 0.953 267 K CA -0.320 56.074 56.287 0.178 0.000 0.800 267 K CB 2.615 35.240 32.500 0.209 0.000 1.243 267 K HN 0.610 nan 8.250 nan 0.000 0.435 268 F N 3.564 123.438 119.950 -0.127 0.000 2.427 268 F HA 0.526 5.053 4.527 -0.001 0.000 0.346 268 F C -1.152 174.373 175.800 -0.459 0.000 1.120 268 F CA -0.540 57.361 58.000 -0.164 0.000 1.033 268 F CB 0.554 39.495 39.000 -0.098 0.000 1.126 268 F HN 0.359 nan 8.300 nan 0.000 0.462 269 F N 3.979 123.362 119.950 -0.945 0.000 2.611 269 F HA 0.747 5.274 4.527 -0.001 0.000 0.324 269 F C -0.843 174.348 175.800 -1.015 0.000 1.061 269 F CA -1.335 56.148 58.000 -0.861 0.000 0.954 269 F CB 1.924 40.377 39.000 -0.911 0.000 1.301 269 F HN 0.042 nan 8.300 nan 0.000 0.482 270 V N 2.480 122.181 119.914 -0.356 0.000 2.509 270 V HA 0.355 4.474 4.120 -0.000 0.000 0.289 270 V C -1.001 175.150 176.094 0.096 0.000 1.026 270 V CA -0.704 61.435 62.300 -0.267 0.000 0.872 270 V CB 1.557 33.007 31.823 -0.621 0.000 1.017 270 V HN 0.610 nan 8.190 nan 0.000 0.436 271 V N 4.976 125.015 119.914 0.209 0.000 2.539 271 V HA 0.462 4.582 4.120 -0.000 0.000 0.292 271 V C 0.341 176.662 176.094 0.379 0.000 1.045 271 V CA -0.388 62.092 62.300 0.300 0.000 0.945 271 V CB 1.744 33.714 31.823 0.244 0.000 0.993 271 V HN 0.986 nan 8.190 nan 0.000 0.464 272 N N 3.291 122.225 118.700 0.390 0.000 2.406 272 N HA 0.104 4.844 4.740 -0.000 0.000 0.251 272 N C 1.168 176.753 175.510 0.126 0.000 1.069 272 N CA 0.333 53.572 53.050 0.315 0.000 0.947 272 N CB 1.153 39.831 38.487 0.320 0.000 1.111 272 N HN 0.890 nan 8.380 nan 0.000 0.497 273 T N 0.048 114.650 114.554 0.081 0.000 3.043 273 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 273 T C 0.619 175.315 174.700 -0.007 0.000 1.094 273 T CA 0.683 62.823 62.100 0.067 0.000 1.127 273 T CB 0.109 69.106 68.868 0.214 0.000 0.905 273 T HN 0.405 nan 8.240 nan 0.000 0.490 274 D N 2.071 122.434 120.400 -0.062 0.000 2.319 274 D HA 0.109 4.749 4.640 -0.000 0.000 0.230 274 D C 0.700 176.972 176.300 -0.046 0.000 1.094 274 D CA 0.325 54.284 54.000 -0.069 0.000 0.856 274 D CB 0.246 40.976 40.800 -0.117 0.000 0.915 274 D HN 0.649 nan 8.370 nan 0.000 0.517 275 S N -0.477 115.202 115.700 -0.035 0.000 2.526 275 S HA 0.293 4.762 4.470 -0.000 0.000 0.220 275 S C 0.857 175.426 174.600 -0.051 0.000 1.159 275 S CA -0.554 57.636 58.200 -0.017 0.000 1.196 275 S CB -0.380 62.840 63.200 0.034 0.000 1.225 275 S HN 0.023 nan 8.310 nan 0.000 0.432 276 L N 0.829 121.963 121.223 -0.149 0.000 2.347 276 L HA 0.208 4.548 4.340 -0.000 0.000 0.196 276 L C 2.551 179.261 176.870 -0.267 0.000 1.072 276 L CA 0.906 55.563 54.840 -0.305 0.000 0.817 276 L CB -0.611 41.011 42.059 -0.729 0.000 1.029 276 L HN 0.621 nan 8.230 nan 0.000 0.478 277 S N -1.790 113.780 115.700 -0.217 0.000 2.660 277 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 277 S C 1.621 176.233 174.600 0.020 0.000 0.963 277 S CA 0.732 58.924 58.200 -0.013 0.000 0.932 277 S CB 0.115 63.380 63.200 0.108 0.000 0.775 277 S HN 0.212 nan 8.310 nan 0.000 0.531 278 S N 0.080 115.777 115.700 -0.006 0.000 2.505 278 S HA 0.375 4.845 4.470 -0.000 0.000 0.216 278 S C 0.530 175.145 174.600 0.024 0.000 1.018 278 S CA 0.205 58.416 58.200 0.017 0.000 0.911 278 S CB 0.138 63.348 63.200 0.016 0.000 0.818 278 S HN 0.643 nan 8.310 nan 0.000 0.497 279 V N -0.964 118.960 119.914 0.016 0.000 3.164 279 V HA 0.691 4.811 4.120 -0.000 0.000 0.313 279 V C 1.126 177.246 176.094 0.043 0.000 1.188 279 V CA -0.119 62.199 62.300 0.031 0.000 1.058 279 V CB 0.825 32.668 31.823 0.034 0.000 1.110 279 V HN 0.233 nan 8.190 nan 0.000 0.453 280 T N -0.829 113.756 114.554 0.052 0.000 3.160 280 T HA 0.155 4.505 4.350 -0.000 0.000 0.210 280 T C 0.647 175.401 174.700 0.091 0.000 0.940 280 T CA 0.545 62.688 62.100 0.072 0.000 1.985 280 T CB -0.602 68.296 68.868 0.050 0.000 1.524 280 T HN 0.624 nan 8.240 nan 0.000 0.428 281 N N 2.015 120.757 118.700 0.070 0.000 2.455 281 N HA 0.603 5.343 4.740 -0.000 0.000 0.280 281 N C -0.526 175.044 175.510 0.100 0.000 1.055 281 N CA -0.216 52.895 53.050 0.102 0.000 0.961 281 N CB 1.244 39.722 38.487 -0.014 0.000 1.121 281 N HN 0.786 nan 8.380 nan 0.000 0.476 282 A N 1.829 124.736 122.820 0.146 0.000 2.440 282 A HA 0.274 4.594 4.320 -0.000 0.000 0.251 282 A C 0.105 177.775 177.584 0.144 0.000 1.089 282 A CA -0.002 52.110 52.037 0.125 0.000 0.779 282 A CB -0.058 19.009 19.000 0.112 0.000 1.022 282 A HN 0.557 nan 8.150 nan 0.000 0.492 283 T N 3.015 117.654 114.554 0.143 0.000 2.727 283 T HA 0.380 4.730 4.350 -0.000 0.000 0.298 283 T C 0.222 175.045 174.700 0.205 0.000 0.942 283 T CA -0.136 62.057 62.100 0.156 0.000 0.997 283 T CB 0.292 69.246 68.868 0.143 0.000 0.917 283 T HN 0.599 nan 8.240 nan 0.000 0.487 284 S N 4.233 120.064 115.700 0.217 0.000 2.489 284 S HA 0.371 4.840 4.470 -0.000 0.000 0.277 284 S C 0.229 175.021 174.600 0.321 0.000 1.230 284 S CA -0.968 57.391 58.200 0.265 0.000 1.053 284 S CB 0.396 63.734 63.200 0.231 0.000 0.955 284 S HN 0.453 nan 8.310 nan 0.000 0.488 285 I N 3.029 123.770 120.570 0.285 0.000 2.365 285 I HA 0.285 4.454 4.170 -0.000 0.000 0.291 285 I C 0.469 176.634 176.117 0.080 0.000 1.004 285 I CA -0.361 61.084 61.300 0.241 0.000 1.311 285 I CB 0.901 39.134 38.000 0.389 0.000 1.401 285 I HN 0.736 nan 8.210 nan 0.000 0.491 286 Q N 6.559 126.330 119.800 -0.049 0.000 2.290 286 Q HA 0.544 4.884 4.340 -0.000 0.000 0.259 286 Q C -1.312 174.560 176.000 -0.213 0.000 0.941 286 Q CA -0.528 55.016 55.803 -0.432 0.000 0.912 286 Q CB 1.441 29.738 28.738 -0.736 0.000 1.244 286 Q HN 0.578 nan 8.270 nan 0.000 0.441 287 I N 4.375 124.852 120.570 -0.154 0.000 2.312 287 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 287 I C 0.535 176.635 176.117 -0.028 0.000 1.008 287 I CA -0.595 60.695 61.300 -0.016 0.000 1.226 287 I CB 1.537 39.585 38.000 0.079 0.000 1.371 287 I HN 0.728 nan 8.210 nan 0.000 0.468 288 T N 3.108 117.593 114.554 -0.115 0.000 2.849 288 T HA 0.650 5.000 4.350 -0.000 0.000 0.284 288 T C 0.196 174.630 174.700 -0.444 0.000 1.004 288 T CA -0.830 61.127 62.100 -0.237 0.000 1.021 288 T CB 1.547 70.283 68.868 -0.220 0.000 1.013 288 T HN 0.585 nan 8.240 nan 0.000 0.527 289 A N 1.972 124.261 122.820 -0.886 0.000 2.316 289 A HA 0.660 4.979 4.320 -0.000 0.000 0.284 289 A C -2.397 174.684 177.584 -0.838 0.000 1.115 289 A CA -1.987 49.123 52.037 -1.544 0.000 0.812 289 A CB -0.573 17.022 19.000 -2.342 0.000 1.064 289 A HN 0.718 nan 8.150 nan 0.000 0.489 290 P HA 0.090 nan 4.420 nan 0.000 0.265 290 P C 0.881 177.990 177.300 -0.318 0.000 1.187 290 P CA 0.793 63.684 63.100 -0.348 0.000 0.766 290 P CB 0.612 32.184 31.700 -0.213 0.000 0.820 291 A N 3.058 125.749 122.820 -0.214 0.000 1.997 291 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 291 A C 2.018 179.509 177.584 -0.154 0.000 1.172 291 A CA 2.351 54.282 52.037 -0.177 0.000 0.645 291 A CB -1.698 17.228 19.000 -0.123 0.000 0.813 291 A HN 0.627 nan 8.150 nan 0.000 0.454 292 S N -1.661 113.970 115.700 -0.114 0.000 2.547 292 S HA 0.008 4.478 4.470 -0.000 0.000 0.235 292 S C 1.445 176.007 174.600 -0.064 0.000 0.980 292 S CA 1.276 59.436 58.200 -0.066 0.000 0.941 292 S CB -0.165 63.051 63.200 0.028 0.000 0.763 292 S HN 0.419 nan 8.310 nan 0.000 0.532 293 M N 0.207 119.701 119.600 -0.176 0.000 2.421 293 M HA 0.409 4.889 4.480 -0.000 0.000 0.258 293 M C 1.374 177.450 176.300 -0.373 0.000 1.122 293 M CA 0.421 55.562 55.300 -0.265 0.000 1.078 293 M CB -0.517 31.797 32.600 -0.476 0.000 1.380 293 M HN 0.339 nan 8.290 nan 0.000 0.499 294 L N 0.475 121.511 121.223 -0.312 0.000 2.509 294 L HA 0.027 4.367 4.340 -0.000 0.000 0.222 294 L C 2.077 178.904 176.870 -0.072 0.000 1.123 294 L CA 0.287 55.003 54.840 -0.206 0.000 0.856 294 L CB -0.584 41.350 42.059 -0.208 0.000 0.985 294 L HN 0.234 nan 8.230 nan 0.000 0.456 295 I N -1.841 118.686 120.570 -0.071 0.000 2.657 295 I HA 0.032 4.202 4.170 -0.000 0.000 0.261 295 I C 1.140 177.251 176.117 -0.011 0.000 1.212 295 I CA 0.815 62.089 61.300 -0.043 0.000 1.453 295 I CB -0.630 37.337 38.000 -0.055 0.000 1.092 295 I HN 0.151 nan 8.210 nan 0.000 0.452 296 G N -0.101 108.717 108.800 0.029 0.000 2.588 296 G HA2 0.245 4.204 3.960 -0.000 0.000 0.281 296 G HA3 0.245 4.204 3.960 -0.000 0.000 0.281 296 G C -1.869 173.090 174.900 0.098 0.000 1.223 296 G CA -0.605 44.520 45.100 0.042 0.000 0.871 296 G HN 0.065 nan 8.290 nan 0.000 0.492 297 D N 1.343 121.740 120.400 -0.004 0.000 2.424 297 D HA 0.503 5.143 4.640 -0.000 0.000 0.244 297 D C 0.326 176.548 176.300 -0.130 0.000 1.134 297 D CA 0.658 54.579 54.000 -0.131 0.000 0.881 297 D CB 0.449 41.151 40.800 -0.164 0.000 1.191 297 D HN 0.551 nan 8.370 nan 0.000 0.445 298 H N -0.647 118.300 119.070 -0.204 0.000 2.990 298 H HA 0.438 4.993 4.556 -0.001 0.000 0.336 298 H C -1.309 173.925 175.328 -0.156 0.000 1.306 298 H CA -0.814 55.129 56.048 -0.175 0.000 1.118 298 H CB 0.231 30.021 29.762 0.045 0.000 1.856 298 H HN 0.323 nan 8.280 nan 0.000 0.538 299 Y N -0.156 120.374 120.300 0.384 0.000 2.662 299 Y HA 0.471 5.021 4.550 -0.000 0.000 0.335 299 Y C -0.439 175.751 175.900 0.482 0.000 1.066 299 Y CA -1.292 57.029 58.100 0.369 0.000 1.116 299 Y CB 1.560 40.074 38.460 0.089 0.000 1.308 299 Y HN 0.448 nan 8.280 nan 0.000 0.502 300 L N 2.086 123.697 121.223 0.647 0.000 2.295 300 L HA 0.406 4.745 4.340 -0.000 0.000 0.281 300 L C 0.261 177.354 176.870 0.371 0.000 1.018 300 L CA -0.582 54.367 54.840 0.181 0.000 0.841 300 L CB 0.489 42.652 42.059 0.175 0.000 1.218 300 L HN 0.948 nan 8.230 nan 0.000 0.424 301 C N 1.439 120.796 119.300 0.096 0.000 2.926 301 C HA 0.472 4.931 4.460 -0.000 0.000 0.272 301 C C 0.325 175.289 174.990 -0.044 0.000 1.249 301 C CA -0.216 58.885 59.018 0.137 0.000 1.691 301 C CB -0.769 27.018 27.740 0.077 0.000 1.983 301 C HN 0.849 nan 8.230 nan 0.000 0.615 302 D N -0.477 119.744 120.400 -0.299 0.000 2.663 302 D HA 0.415 5.055 4.640 -0.000 0.000 0.233 302 D C -1.948 173.927 176.300 -0.708 0.000 1.240 302 D CA 0.014 53.747 54.000 -0.445 0.000 0.774 302 D CB 2.621 43.235 40.800 -0.309 0.000 1.443 302 D HN 0.041 nan 8.370 nan 0.000 0.441 303 V N 2.090 121.516 119.914 -0.814 0.000 2.567 303 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 303 V C -0.571 175.133 176.094 -0.649 0.000 1.047 303 V CA -0.414 61.304 62.300 -0.969 0.000 0.880 303 V CB 1.874 32.723 31.823 -1.624 0.000 1.009 303 V HN 0.619 nan 8.190 nan 0.000 0.429 304 T N 3.920 118.189 114.554 -0.475 0.000 2.906 304 T HA 0.362 4.711 4.350 -0.000 0.000 0.302 304 T C -0.701 173.913 174.700 -0.143 0.000 1.002 304 T CA -0.374 61.605 62.100 -0.203 0.000 0.988 304 T CB 0.659 69.458 68.868 -0.114 0.000 0.972 304 T HN 0.523 nan 8.240 nan 0.000 0.447 305 W N 2.100 123.383 121.300 -0.030 0.000 2.216 305 W HA 0.463 5.123 4.660 -0.000 0.000 0.326 305 W C 1.094 177.571 176.519 -0.070 0.000 1.319 305 W CA -0.322 57.005 57.345 -0.030 0.000 1.213 305 W CB 0.616 30.118 29.460 0.070 0.000 1.171 305 W HN 0.804 nan 8.180 nan 0.000 0.557 306 A N 1.735 124.559 122.820 0.007 0.000 1.970 306 A HA 0.197 4.517 4.320 -0.000 0.000 0.204 306 A C 0.885 178.476 177.584 0.011 0.000 1.325 306 A CA 1.335 53.189 52.037 -0.305 0.000 0.767 306 A CB -0.352 17.910 19.000 -1.229 0.000 0.949 306 A HN 0.513 nan 8.150 nan 0.000 0.481 307 T N -4.604 110.027 114.554 0.128 0.000 2.645 307 T HA 0.358 4.708 4.350 -0.000 0.000 0.273 307 T C 0.119 174.972 174.700 0.256 0.000 0.960 307 T CA -0.349 61.853 62.100 0.168 0.000 1.051 307 T CB 0.739 69.689 68.868 0.137 0.000 1.366 307 T HN 0.042 nan 8.240 nan 0.000 0.536 308 Q N -0.086 119.831 119.800 0.196 0.000 2.451 308 Q HA 0.159 4.499 4.340 -0.000 0.000 0.206 308 Q C 0.700 176.915 176.000 0.358 0.000 0.947 308 Q CA 0.853 56.761 55.803 0.176 0.000 0.937 308 Q CB 0.300 29.104 28.738 0.110 0.000 1.025 308 Q HN 0.784 nan 8.270 nan 0.000 0.511 309 E N 0.160 120.590 120.200 0.382 0.000 2.715 309 E HA 0.159 4.509 4.350 -0.000 0.000 0.224 309 E C -0.052 176.818 176.600 0.449 0.000 0.962 309 E CA -0.124 56.519 56.400 0.406 0.000 1.145 309 E CB 1.076 30.918 29.700 0.236 0.000 1.083 309 E HN -0.056 nan 8.360 nan 0.000 0.506 310 R N 2.084 122.837 120.500 0.422 0.000 2.487 310 R HA 0.357 4.697 4.340 -0.000 0.000 0.288 310 R C -1.158 175.141 176.300 -0.001 0.000 1.394 310 R CA -0.264 55.957 56.100 0.201 0.000 1.155 310 R CB 0.682 30.995 30.300 0.021 0.000 1.156 310 R HN 0.092 nan 8.270 nan 0.000 0.553 311 I N 2.811 123.268 120.570 -0.189 0.000 2.499 311 I HA 0.286 4.456 4.170 -0.000 0.000 0.296 311 I C -0.336 175.484 176.117 -0.495 0.000 0.992 311 I CA -0.121 60.749 61.300 -0.717 0.000 1.297 311 I CB 1.488 38.620 38.000 -1.446 0.000 1.410 311 I HN 0.636 nan 8.210 nan 0.000 0.507 312 S N 7.731 123.129 115.700 -0.503 0.000 2.482 312 S HA 0.688 5.158 4.470 -0.000 0.000 0.303 312 S C -0.918 173.371 174.600 -0.518 0.000 1.091 312 S CA -0.844 57.142 58.200 -0.358 0.000 1.057 312 S CB 1.550 64.668 63.200 -0.137 0.000 1.031 312 S HN 0.581 nan 8.310 nan 0.000 0.485 313 L N 2.206 123.129 121.223 -0.500 0.000 2.362 313 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 313 L C -0.344 176.198 176.870 -0.547 0.000 1.002 313 L CA -0.657 53.754 54.840 -0.715 0.000 0.818 313 L CB 2.173 43.740 42.059 -0.820 0.000 1.298 313 L HN 0.689 nan 8.230 nan 0.000 0.420 314 Q N 2.006 121.420 119.800 -0.644 0.000 2.325 314 Q HA 0.360 4.700 4.340 -0.000 0.000 0.270 314 Q C -1.787 173.959 176.000 -0.424 0.000 1.020 314 Q CA -0.548 55.015 55.803 -0.400 0.000 0.785 314 Q CB 2.209 30.763 28.738 -0.307 0.000 1.259 314 Q HN 0.411 nan 8.270 nan 0.000 0.452 315 W N 3.113 124.339 121.300 -0.123 0.000 2.520 315 W HA 0.568 5.228 4.660 -0.000 0.000 0.323 315 W C -0.694 175.827 176.519 0.004 0.000 1.062 315 W CA -0.631 56.692 57.345 -0.036 0.000 1.215 315 W CB 0.941 30.357 29.460 -0.073 0.000 1.340 315 W HN 0.403 nan 8.180 nan 0.000 0.516 316 L N 3.552 124.973 121.223 0.330 0.000 2.362 316 L HA 0.586 4.925 4.340 -0.000 0.000 0.275 316 L C -0.011 177.057 176.870 0.329 0.000 0.998 316 L CA -0.975 54.029 54.840 0.272 0.000 0.820 316 L CB 1.104 43.314 42.059 0.253 0.000 1.270 316 L HN 0.406 nan 8.230 nan 0.000 0.415 317 R N 2.403 123.066 120.500 0.272 0.000 2.679 317 R HA 0.235 4.575 4.340 -0.000 0.000 0.269 317 R C 0.993 177.358 176.300 0.109 0.000 1.076 317 R CA -0.175 56.044 56.100 0.198 0.000 1.160 317 R CB 0.518 30.938 30.300 0.199 0.000 1.054 317 R HN 0.648 nan 8.270 nan 0.000 0.507 318 R N 1.309 121.775 120.500 -0.056 0.000 2.200 318 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 318 R C 0.353 176.701 176.300 0.080 0.000 1.127 318 R CA 1.086 57.117 56.100 -0.116 0.000 0.989 318 R CB 0.177 30.371 30.300 -0.177 0.000 0.869 318 R HN 0.424 nan 8.270 nan 0.000 0.459 319 I N 2.983 123.603 120.570 0.083 0.000 2.234 319 I HA 0.027 4.196 4.170 -0.000 0.000 0.287 319 I C -0.121 176.069 176.117 0.121 0.000 1.131 319 I CA 0.060 61.412 61.300 0.087 0.000 1.335 319 I CB 0.432 38.470 38.000 0.064 0.000 1.511 319 I HN 0.224 nan 8.210 nan 0.000 0.588 320 Q N 3.940 123.821 119.800 0.134 0.000 1.523 320 Q HA -0.173 4.166 4.340 -0.000 0.000 0.074 320 Q C 0.801 176.880 176.000 0.131 0.000 0.662 320 Q CA 0.371 56.255 55.803 0.135 0.000 1.079 320 Q CB -0.563 28.216 28.738 0.069 0.000 1.412 320 Q HN 0.649 nan 8.270 nan 0.000 0.272 321 N N -0.868 117.915 118.700 0.139 0.000 2.081 321 N HA -0.036 4.704 4.740 -0.000 0.000 0.230 321 N C -1.193 174.424 175.510 0.177 0.000 1.351 321 N CA -0.271 52.850 53.050 0.118 0.000 0.840 321 N CB 0.422 38.960 38.487 0.086 0.000 1.189 321 N HN 0.306 nan 8.380 nan 0.000 0.503 322 Y N 1.665 121.996 120.300 0.053 0.000 2.362 322 Y HA 0.564 5.113 4.550 -0.000 0.000 0.326 322 Y C -1.249 174.691 175.900 0.068 0.000 1.083 322 Y CA -0.684 57.444 58.100 0.047 0.000 1.073 322 Y CB 1.436 39.916 38.460 0.033 0.000 1.211 322 Y HN 0.174 nan 8.280 nan 0.000 0.433 323 S N 4.409 119.814 115.700 -0.492 0.000 2.570 323 S HA 0.939 5.408 4.470 -0.000 0.000 0.286 323 S C -1.762 172.564 174.600 -0.457 0.000 1.099 323 S CA -0.726 57.290 58.200 -0.307 0.000 0.913 323 S CB 1.999 65.127 63.200 -0.121 0.000 1.085 323 S HN 0.491 nan 8.310 nan 0.000 0.480 324 V N 2.428 122.228 119.914 -0.191 0.000 2.789 324 V HA 0.589 4.709 4.120 -0.000 0.000 0.311 324 V C -0.549 175.529 176.094 -0.028 0.000 1.073 324 V CA -0.725 61.503 62.300 -0.121 0.000 0.921 324 V CB 1.912 33.722 31.823 -0.020 0.000 1.009 324 V HN 1.037 nan 8.190 nan 0.000 0.426 325 M N 3.366 122.938 119.600 -0.046 0.000 2.167 325 M HA 0.521 5.001 4.480 -0.000 0.000 0.333 325 M C -1.486 174.808 176.300 -0.010 0.000 1.030 325 M CA -0.366 54.891 55.300 -0.072 0.000 0.963 325 M CB 1.286 33.797 32.600 -0.148 0.000 1.589 325 M HN 0.654 nan 8.290 nan 0.000 0.431 326 D N 5.167 125.563 120.400 -0.007 0.000 2.193 326 D HA 0.507 5.147 4.640 -0.000 0.000 0.249 326 D C -0.733 175.544 176.300 -0.039 0.000 1.034 326 D CA 0.012 54.016 54.000 0.007 0.000 0.902 326 D CB 1.922 42.749 40.800 0.045 0.000 1.182 326 D HN 0.621 nan 8.370 nan 0.000 0.436 327 I N 2.175 122.749 120.570 0.006 0.000 2.420 327 I HA 0.224 4.393 4.170 -0.000 0.000 0.282 327 I C -0.577 175.546 176.117 0.009 0.000 1.019 327 I CA -0.583 60.718 61.300 0.002 0.000 1.130 327 I CB 1.211 39.272 38.000 0.101 0.000 1.262 327 I HN 0.145 nan 8.210 nan 0.000 0.454 328 c N 4.308 122.899 118.600 -0.015 0.000 2.329 328 c HA 0.527 5.097 4.570 -0.000 0.000 0.329 328 c C 0.181 174.406 174.090 0.224 0.000 1.275 328 c CA -0.631 55.752 56.329 0.091 0.000 1.726 328 c CB 0.854 43.415 42.510 0.085 0.000 2.291 328 c HN 0.601 nan 8.230 nan 0.000 0.514 329 D N -0.448 120.077 120.400 0.208 0.000 2.442 329 D HA 0.404 5.044 4.640 -0.000 0.000 0.254 329 D C -0.963 175.310 176.300 -0.044 0.000 1.069 329 D CA -0.181 53.911 54.000 0.153 0.000 1.017 329 D CB 0.651 41.478 40.800 0.045 0.000 1.172 329 D HN 0.599 nan 8.370 nan 0.000 0.561 330 Y N 0.493 120.480 120.300 -0.523 0.000 2.360 330 Y HA 0.271 4.820 4.550 -0.000 0.000 0.337 330 Y C -0.802 174.796 175.900 -0.503 0.000 1.039 330 Y CA -0.586 56.864 58.100 -1.082 0.000 1.109 330 Y CB 1.286 39.007 38.460 -1.233 0.000 1.201 330 Y HN 0.120 nan 8.280 nan 0.000 0.458 331 D N 5.617 125.369 120.400 -1.079 0.000 2.454 331 D HA 0.059 4.699 4.640 -0.000 0.000 0.225 331 D C 0.607 176.405 176.300 -0.837 0.000 1.081 331 D CA -0.032 53.566 54.000 -0.671 0.000 0.864 331 D CB 1.097 41.637 40.800 -0.433 0.000 1.040 331 D HN 0.973 nan 8.370 nan 0.000 0.517 332 E N 2.349 122.272 120.200 -0.462 0.000 2.204 332 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 332 E C 1.501 178.011 176.600 -0.150 0.000 0.990 332 E CA 1.019 57.299 56.400 -0.199 0.000 0.821 332 E CB 0.334 30.058 29.700 0.040 0.000 0.750 332 E HN 0.435 nan 8.360 nan 0.000 0.477 333 S N 0.277 115.882 115.700 -0.159 0.000 2.355 333 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 333 S C 2.222 176.759 174.600 -0.105 0.000 1.031 333 S CA 1.799 59.939 58.200 -0.099 0.000 0.993 333 S CB -0.435 62.713 63.200 -0.086 0.000 0.859 333 S HN 0.377 nan 8.310 nan 0.000 0.453 334 S N 0.125 115.725 115.700 -0.167 0.000 2.404 334 S HA 0.442 4.912 4.470 -0.000 0.000 0.223 334 S C 1.875 176.385 174.600 -0.150 0.000 1.040 334 S CA 0.705 58.822 58.200 -0.138 0.000 0.957 334 S CB -0.937 62.175 63.200 -0.146 0.000 0.826 334 S HN 1.694 nan 8.310 nan 0.000 0.491 335 G N 1.670 110.265 108.800 -0.342 0.000 2.141 335 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.242 335 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.242 335 G C 0.114 174.854 174.900 -0.267 0.000 0.982 335 G CA 0.317 45.232 45.100 -0.309 0.000 0.662 335 G HN 0.830 nan 8.290 nan 0.000 0.527 336 R N -1.086 119.213 120.500 -0.335 0.000 2.527 336 R HA 0.686 5.026 4.340 -0.000 0.000 0.243 336 R C -0.786 175.319 176.300 -0.325 0.000 1.206 336 R CA -0.751 55.271 56.100 -0.131 0.000 1.134 336 R CB 0.597 30.859 30.300 -0.064 0.000 1.347 336 R HN 0.153 nan 8.270 nan 0.000 0.580 337 W N 0.707 121.976 121.300 -0.052 0.000 2.600 337 W HA 0.445 5.105 4.660 -0.001 0.000 0.325 337 W C -0.931 175.560 176.519 -0.047 0.000 1.034 337 W CA -0.556 56.770 57.345 -0.032 0.000 1.226 337 W CB 1.726 31.194 29.460 0.012 0.000 1.379 337 W HN 0.431 nan 8.180 nan 0.000 0.466 338 N N 2.061 120.827 118.700 0.110 0.000 2.314 338 N HA 0.585 5.325 4.740 -0.000 0.000 0.304 338 N C -1.473 174.080 175.510 0.072 0.000 1.073 338 N CA -0.489 52.594 53.050 0.055 0.000 0.822 338 N CB 1.609 40.087 38.487 -0.016 0.000 1.280 338 N HN 0.212 nan 8.380 nan 0.000 0.489 339 c N 1.796 120.421 118.600 0.042 0.000 2.369 339 c HA 0.493 5.063 4.570 -0.000 0.000 0.322 339 c C 0.457 174.551 174.090 0.007 0.000 1.258 339 c CA -1.011 55.336 56.329 0.030 0.000 1.487 339 c CB -0.071 42.449 42.510 0.017 0.000 2.165 339 c HN 0.528 nan 8.230 nan 0.000 0.483 340 L N 2.600 123.829 121.223 0.011 0.000 2.331 340 L HA 0.196 4.536 4.340 -0.000 0.000 0.278 340 L C 1.396 178.260 176.870 -0.011 0.000 1.106 340 L CA 0.130 54.970 54.840 -0.001 0.000 0.824 340 L CB 1.436 43.500 42.059 0.008 0.000 1.142 340 L HN 0.739 nan 8.230 nan 0.000 0.443 341 V N 4.228 124.127 119.914 -0.024 0.000 2.427 341 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 341 V C 2.241 178.306 176.094 -0.049 0.000 1.051 341 V CA 2.147 64.425 62.300 -0.038 0.000 1.048 341 V CB 0.081 31.880 31.823 -0.040 0.000 0.666 341 V HN 1.013 nan 8.190 nan 0.000 0.456 342 A N 0.055 122.852 122.820 -0.039 0.000 2.032 342 A HA -0.251 4.068 4.320 -0.000 0.000 0.221 342 A C 2.248 179.791 177.584 -0.068 0.000 1.165 342 A CA 2.067 54.076 52.037 -0.047 0.000 0.645 342 A CB -0.529 18.456 19.000 -0.024 0.000 0.807 342 A HN 0.644 nan 8.150 nan 0.000 0.453 343 R N -0.735 119.745 120.500 -0.033 0.000 2.240 343 R HA 0.066 4.406 4.340 -0.000 0.000 0.203 343 R C 0.472 176.717 176.300 -0.092 0.000 1.011 343 R CA -0.041 56.065 56.100 0.011 0.000 1.007 343 R CB -0.071 30.291 30.300 0.103 0.000 0.911 343 R HN 0.602 nan 8.270 nan 0.000 0.468 344 Q N 1.239 120.970 119.800 -0.115 0.000 2.436 344 Q HA -0.112 4.228 4.340 -0.000 0.000 0.326 344 Q C -0.867 174.942 176.000 -0.318 0.000 1.079 344 Q CA 0.907 56.635 55.803 -0.125 0.000 1.049 344 Q CB 0.235 28.918 28.738 -0.092 0.000 1.047 344 Q HN 0.263 nan 8.270 nan 0.000 0.386 345 H N 1.649 120.682 119.070 -0.061 0.000 2.616 345 H HA 0.580 5.136 4.556 -0.000 0.000 0.353 345 H C -0.428 174.823 175.328 -0.129 0.000 1.170 345 H CA -0.560 55.429 56.048 -0.098 0.000 1.212 345 H CB 1.283 30.942 29.762 -0.172 0.000 1.653 345 H HN 0.464 nan 8.280 nan 0.000 0.537 346 I N 0.788 121.350 120.570 -0.013 0.000 2.785 346 I HA 0.338 4.508 4.170 -0.000 0.000 0.302 346 I C -0.692 175.377 176.117 -0.081 0.000 1.069 346 I CA -0.570 60.665 61.300 -0.108 0.000 1.045 346 I CB 2.283 40.224 38.000 -0.098 0.000 1.236 346 I HN 0.541 nan 8.210 nan 0.000 0.429 347 E N 6.400 126.501 120.200 -0.164 0.000 2.291 347 E HA 0.629 4.979 4.350 -0.000 0.000 0.276 347 E C -1.504 175.029 176.600 -0.112 0.000 0.896 347 E CA -0.525 55.825 56.400 -0.083 0.000 0.774 347 E CB 2.209 31.875 29.700 -0.057 0.000 1.227 347 E HN 0.619 nan 8.360 nan 0.000 0.413 348 M N 0.893 120.479 119.600 -0.022 0.000 3.331 348 M HA 0.678 5.158 4.480 -0.000 0.000 0.281 348 M C -1.340 174.978 176.300 0.029 0.000 1.338 348 M CA -0.844 54.470 55.300 0.023 0.000 0.827 348 M CB 2.096 34.763 32.600 0.112 0.000 1.674 348 M HN 0.255 nan 8.290 nan 0.000 0.477 349 S N -1.053 114.665 115.700 0.030 0.000 2.550 349 S HA 0.672 5.141 4.470 -0.000 0.000 0.270 349 S C -0.249 174.352 174.600 0.001 0.000 1.145 349 S CA 0.172 58.373 58.200 0.000 0.000 0.852 349 S CB 1.917 65.084 63.200 -0.056 0.000 1.119 349 S HN 1.126 nan 8.310 nan 0.000 0.465 350 T N -0.950 113.601 114.554 -0.005 0.000 2.975 350 T HA 0.177 4.527 4.350 -0.000 0.000 0.257 350 T C 1.196 175.884 174.700 -0.021 0.000 1.003 350 T CA 0.757 62.855 62.100 -0.004 0.000 0.932 350 T CB -0.288 68.583 68.868 0.006 0.000 1.087 350 T HN 0.654 nan 8.240 nan 0.000 0.512 351 T N -1.039 113.498 114.554 -0.029 0.000 3.015 351 T HA 0.584 4.934 4.350 -0.000 0.000 0.250 351 T C 1.192 175.773 174.700 -0.197 0.000 1.057 351 T CA 0.311 62.398 62.100 -0.021 0.000 1.066 351 T CB 0.504 69.418 68.868 0.078 0.000 0.959 351 T HN 0.604 nan 8.240 nan 0.000 0.488 352 G N 0.466 108.980 108.800 -0.476 0.000 2.894 352 G HA2 0.526 4.486 3.960 -0.000 0.000 0.164 352 G HA3 0.526 4.486 3.960 -0.000 0.000 0.164 352 G C -1.672 172.940 174.900 -0.479 0.000 1.180 352 G CA -0.710 43.831 45.100 -0.933 0.000 0.997 352 G HN 0.448 nan 8.290 nan 0.000 0.572 353 W N -0.274 120.737 121.300 -0.482 0.000 2.481 353 W HA 0.752 5.412 4.660 -0.001 0.000 0.369 353 W C -0.459 175.984 176.519 -0.127 0.000 1.235 353 W CA -1.348 55.840 57.345 -0.262 0.000 1.344 353 W CB 0.736 29.984 29.460 -0.354 0.000 1.360 353 W HN 0.263 nan 8.180 nan 0.000 0.658 354 V N 3.245 123.224 119.914 0.108 0.000 2.432 354 V HA 0.624 4.744 4.120 -0.000 0.000 0.271 354 V C 0.876 177.042 176.094 0.120 0.000 1.046 354 V CA 0.595 62.926 62.300 0.052 0.000 0.945 354 V CB -0.204 31.655 31.823 0.060 0.000 0.992 354 V HN 1.293 nan 8.190 nan 0.000 0.471 355 G N 5.542 114.370 108.800 0.047 0.000 2.681 355 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 355 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 355 G C 0.393 175.381 174.900 0.147 0.000 1.353 355 G CA 0.269 45.433 45.100 0.105 0.000 0.872 355 G HN 0.605 nan 8.290 nan 0.000 0.557 356 R N -1.204 119.413 120.500 0.195 0.000 2.112 356 R HA 0.298 4.638 4.340 -0.000 0.000 0.216 356 R C 1.753 178.007 176.300 -0.076 0.000 1.080 356 R CA 1.916 58.071 56.100 0.092 0.000 0.996 356 R CB 0.015 30.398 30.300 0.139 0.000 0.902 356 R HN 0.476 nan 8.270 nan 0.000 0.449 357 F N -0.970 119.159 119.950 0.299 0.000 2.839 357 F HA 0.246 4.773 4.527 -0.001 0.000 0.355 357 F C 0.077 175.948 175.800 0.118 0.000 0.904 357 F CA -0.551 57.568 58.000 0.198 0.000 1.098 357 F CB 0.733 39.849 39.000 0.194 0.000 0.982 357 F HN -0.198 nan 8.300 nan 0.000 0.600 358 R N -0.243 120.454 120.500 0.329 0.000 2.664 358 R HA 0.411 4.751 4.340 -0.000 0.000 0.260 358 R C -3.421 172.973 176.300 0.156 0.000 1.062 358 R CA -1.747 54.467 56.100 0.190 0.000 0.902 358 R CB 0.486 30.873 30.300 0.145 0.000 1.258 358 R HN -0.308 nan 8.270 nan 0.000 0.465 359 P HA -0.105 nan 4.420 nan 0.000 0.263 359 P C -0.096 177.228 177.300 0.040 0.000 1.162 359 P CA 0.480 63.608 63.100 0.048 0.000 0.758 359 P CB 0.506 32.201 31.700 -0.008 0.000 0.773 360 S N 1.803 117.534 115.700 0.052 0.000 2.584 360 S HA 0.168 4.638 4.470 -0.000 0.000 0.270 360 S C 0.201 174.782 174.600 -0.032 0.000 1.346 360 S CA -0.745 57.489 58.200 0.057 0.000 1.018 360 S CB 0.446 63.711 63.200 0.108 0.000 0.899 360 S HN 0.540 nan 8.310 nan 0.000 0.542 361 E N 1.497 121.664 120.200 -0.055 0.000 2.249 361 E HA 0.385 4.734 4.350 -0.000 0.000 0.280 361 E C -2.683 173.725 176.600 -0.321 0.000 1.016 361 E CA -2.557 53.724 56.400 -0.198 0.000 0.830 361 E CB 0.294 29.879 29.700 -0.193 0.000 1.081 361 E HN 0.405 nan 8.360 nan 0.000 0.395 362 P HA 0.078 nan 4.420 nan 0.000 0.272 362 P C -0.503 176.455 177.300 -0.570 0.000 1.254 362 P CA 0.043 62.822 63.100 -0.535 0.000 0.795 362 P CB 0.452 31.489 31.700 -1.106 0.000 1.022 363 H N -0.249 118.775 119.070 -0.077 0.000 3.162 363 H HA 0.287 4.843 4.556 -0.000 0.000 0.309 363 H C -0.385 175.081 175.328 0.230 0.000 1.156 363 H CA -0.314 55.818 56.048 0.139 0.000 1.586 363 H CB -0.240 29.650 29.762 0.214 0.000 1.740 363 H HN 0.248 nan 8.280 nan 0.000 0.525 364 F N 1.739 121.894 119.950 0.341 0.000 2.410 364 F HA 0.140 4.667 4.527 -0.001 0.000 0.334 364 F C 1.566 177.575 175.800 0.348 0.000 1.134 364 F CA -0.166 58.042 58.000 0.348 0.000 1.227 364 F CB 0.917 40.052 39.000 0.226 0.000 1.194 364 F HN 0.257 nan 8.300 nan 0.000 0.571 365 T N 1.005 115.883 114.554 0.541 0.000 2.845 365 T HA 0.252 4.602 4.350 -0.000 0.000 0.288 365 T C 1.015 175.909 174.700 0.324 0.000 0.980 365 T CA -0.845 61.499 62.100 0.407 0.000 1.071 365 T CB 1.256 70.349 68.868 0.375 0.000 0.941 365 T HN 0.590 nan 8.240 nan 0.000 0.487 366 L N 2.423 123.797 121.223 0.251 0.000 2.173 366 L HA -0.303 4.037 4.340 -0.000 0.000 0.239 366 L C 2.202 179.177 176.870 0.175 0.000 1.123 366 L CA 2.888 57.844 54.840 0.194 0.000 0.847 366 L CB -0.961 41.190 42.059 0.153 0.000 0.940 366 L HN 1.003 nan 8.230 nan 0.000 0.450 367 D N -0.990 119.510 120.400 0.166 0.000 2.392 367 D HA 0.009 4.649 4.640 -0.000 0.000 0.228 367 D C 1.524 177.914 176.300 0.149 0.000 1.003 367 D CA 0.868 54.952 54.000 0.140 0.000 0.917 367 D CB -0.992 39.883 40.800 0.125 0.000 0.890 367 D HN 0.647 nan 8.370 nan 0.000 0.532 368 G N 0.678 109.598 108.800 0.200 0.000 2.321 368 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.287 368 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.287 368 G C 0.871 175.918 174.900 0.245 0.000 1.018 368 G CA 0.561 45.781 45.100 0.201 0.000 0.855 368 G HN 0.372 nan 8.290 nan 0.000 0.507 369 N N -0.410 118.443 118.700 0.256 0.000 2.402 369 N HA 0.124 4.863 4.740 -0.000 0.000 0.174 369 N C 1.356 177.008 175.510 0.237 0.000 1.027 369 N CA 1.161 54.337 53.050 0.211 0.000 0.891 369 N CB 0.356 38.926 38.487 0.137 0.000 1.016 369 N HN 0.831 nan 8.380 nan 0.000 0.439 370 S N -0.399 115.458 115.700 0.263 0.000 2.632 370 S HA 0.765 5.235 4.470 -0.000 0.000 0.289 370 S C -0.806 173.917 174.600 0.205 0.000 1.115 370 S CA -0.843 57.400 58.200 0.071 0.000 0.889 370 S CB 1.650 64.803 63.200 -0.078 0.000 1.116 370 S HN 0.122 nan 8.310 nan 0.000 0.486 371 F N -1.487 118.371 119.950 -0.153 0.000 2.715 371 F HA 0.842 5.369 4.527 -0.000 0.000 0.318 371 F C -2.145 173.488 175.800 -0.279 0.000 1.141 371 F CA -1.610 56.226 58.000 -0.274 0.000 0.950 371 F CB 0.605 39.058 39.000 -0.912 0.000 1.374 371 F HN 0.563 nan 8.300 nan 0.000 0.477 372 Y N 0.659 121.183 120.300 0.372 0.000 2.446 372 Y HA 0.687 5.237 4.550 -0.000 0.000 0.345 372 Y C -0.368 175.762 175.900 0.383 0.000 0.984 372 Y CA -1.050 57.242 58.100 0.321 0.000 1.058 372 Y CB 2.227 40.801 38.460 0.190 0.000 1.220 372 Y HN 0.684 nan 8.280 nan 0.000 0.455 373 K N 2.853 123.546 120.400 0.488 0.000 2.523 373 K HA 0.554 4.874 4.320 -0.000 0.000 0.257 373 K C -1.627 175.164 176.600 0.318 0.000 0.932 373 K CA -0.596 55.913 56.287 0.371 0.000 0.812 373 K CB 1.752 34.446 32.500 0.325 0.000 1.326 373 K HN 0.737 nan 8.250 nan 0.000 0.433 374 I N 6.541 127.261 120.570 0.249 0.000 2.396 374 I HA 0.257 4.426 4.170 -0.000 0.000 0.289 374 I C 0.203 176.438 176.117 0.196 0.000 1.056 374 I CA -0.274 61.148 61.300 0.203 0.000 1.365 374 I CB 0.356 38.449 38.000 0.156 0.000 1.407 374 I HN 0.499 nan 8.210 nan 0.000 0.509 375 I N 2.197 122.911 120.570 0.240 0.000 3.191 375 I HA 0.502 4.671 4.170 -0.000 0.000 0.313 375 I C -0.316 175.903 176.117 0.169 0.000 1.193 375 I CA -0.857 60.570 61.300 0.213 0.000 0.968 375 I CB 2.116 40.281 38.000 0.274 0.000 1.262 375 I HN 0.375 nan 8.210 nan 0.000 0.456 376 S N 2.135 117.890 115.700 0.091 0.000 2.548 376 S HA 0.311 4.781 4.470 -0.000 0.000 0.277 376 S C -0.071 174.537 174.600 0.013 0.000 1.315 376 S CA -0.447 57.748 58.200 -0.007 0.000 1.050 376 S CB -0.004 63.144 63.200 -0.086 0.000 0.918 376 S HN 0.827 nan 8.310 nan 0.000 0.497 377 N N 3.274 121.883 118.700 -0.152 0.000 2.452 377 N HA 0.156 4.896 4.740 -0.000 0.000 0.296 377 N C 1.275 176.721 175.510 -0.107 0.000 1.304 377 N CA -0.050 52.829 53.050 -0.286 0.000 0.956 377 N CB -0.191 37.881 38.487 -0.693 0.000 1.106 377 N HN 0.693 nan 8.380 nan 0.000 0.555 378 E N -0.828 119.308 120.200 -0.106 0.000 2.160 378 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 378 E C 0.205 176.771 176.600 -0.056 0.000 0.991 378 E CA 1.410 57.779 56.400 -0.053 0.000 0.810 378 E CB -0.337 29.332 29.700 -0.052 0.000 0.742 378 E HN 0.634 nan 8.360 nan 0.000 0.466 379 E N -0.104 120.065 120.200 -0.052 0.000 2.481 379 E HA 0.150 4.500 4.350 -0.000 0.000 0.198 379 E C 0.899 177.424 176.600 -0.125 0.000 1.027 379 E CA 0.581 56.969 56.400 -0.019 0.000 0.900 379 E CB 0.869 30.637 29.700 0.113 0.000 0.993 379 E HN 0.503 nan 8.360 nan 0.000 0.482 380 G N 1.084 109.793 108.800 -0.152 0.000 2.131 380 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.223 380 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.223 380 G C -0.318 174.335 174.900 -0.411 0.000 0.990 380 G CA -0.170 44.757 45.100 -0.289 0.000 0.671 380 G HN 0.179 nan 8.290 nan 0.000 0.521 381 Y N 0.296 120.491 120.300 -0.176 0.000 2.323 381 Y HA 0.651 5.201 4.550 -0.000 0.000 0.331 381 Y C 1.213 176.999 175.900 -0.190 0.000 1.092 381 Y CA -0.839 57.151 58.100 -0.183 0.000 1.150 381 Y CB 0.928 39.302 38.460 -0.144 0.000 1.200 381 Y HN 0.125 nan 8.280 nan 0.000 0.472 382 R N 3.466 123.880 120.500 -0.144 0.000 2.389 382 R HA 0.288 4.628 4.340 -0.000 0.000 0.295 382 R C -0.604 175.440 176.300 -0.426 0.000 1.075 382 R CA 0.068 56.073 56.100 -0.157 0.000 1.005 382 R CB 0.209 30.462 30.300 -0.078 0.000 0.987 382 R HN 0.687 nan 8.270 nan 0.000 0.452 383 H N 1.310 120.297 119.070 -0.139 0.000 2.943 383 H HA 0.358 4.914 4.556 -0.000 0.000 0.323 383 H C -0.401 174.935 175.328 0.014 0.000 1.296 383 H CA -0.887 55.046 56.048 -0.192 0.000 1.155 383 H CB 1.450 30.938 29.762 -0.457 0.000 1.882 383 H HN 0.296 nan 8.280 nan 0.000 0.553 384 I N 1.455 122.101 120.570 0.127 0.000 2.312 384 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 384 I C 0.324 176.593 176.117 0.253 0.000 1.031 384 I CA -0.116 61.277 61.300 0.155 0.000 1.293 384 I CB 0.521 38.514 38.000 -0.012 0.000 1.403 384 I HN 0.124 nan 8.210 nan 0.000 0.484 385 c N 6.858 125.584 118.600 0.211 0.000 2.365 385 c HA 0.480 5.050 4.570 -0.000 0.000 0.349 385 c C -0.379 173.609 174.090 -0.170 0.000 1.191 385 c CA -0.303 55.908 56.329 -0.197 0.000 2.114 385 c CB 1.145 43.304 42.510 -0.585 0.000 2.367 385 c HN 0.637 nan 8.230 nan 0.000 0.530 386 Y N 3.192 123.128 120.300 -0.607 0.000 2.352 386 Y HA 0.718 5.268 4.550 -0.000 0.000 0.339 386 Y C -1.011 174.349 175.900 -0.901 0.000 0.992 386 Y CA -1.275 56.444 58.100 -0.634 0.000 1.100 386 Y CB 0.620 38.836 38.460 -0.406 0.000 1.192 386 Y HN 0.637 nan 8.280 nan 0.000 0.458 387 F N 3.309 122.574 119.950 -1.142 0.000 2.593 387 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 387 F C -0.484 174.627 175.800 -1.147 0.000 1.060 387 F CA -1.048 56.249 58.000 -1.172 0.000 0.940 387 F CB 1.824 39.899 39.000 -1.542 0.000 1.268 387 F HN 0.216 nan 8.300 nan 0.000 0.475 388 Q N 2.648 122.164 119.800 -0.473 0.000 2.333 388 Q HA 0.329 4.669 4.340 -0.000 0.000 0.265 388 Q C 1.098 177.073 176.000 -0.040 0.000 0.989 388 Q CA -0.383 55.251 55.803 -0.282 0.000 0.842 388 Q CB 1.934 30.554 28.738 -0.198 0.000 1.262 388 Q HN 0.888 nan 8.270 nan 0.000 0.451 389 I N -0.693 119.923 120.570 0.076 0.000 2.597 389 I HA -0.236 3.934 4.170 -0.000 0.000 0.262 389 I C 0.604 176.931 176.117 0.350 0.000 1.194 389 I CA 1.799 63.296 61.300 0.329 0.000 1.437 389 I CB -0.037 38.170 38.000 0.345 0.000 1.096 389 I HN 0.378 nan 8.210 nan 0.000 0.451 390 D N 0.702 121.201 120.400 0.166 0.000 2.571 390 D HA 0.184 4.824 4.640 -0.000 0.000 0.239 390 D C -0.134 176.189 176.300 0.038 0.000 1.267 390 D CA -0.340 53.711 54.000 0.084 0.000 0.823 390 D CB 0.205 41.036 40.800 0.051 0.000 1.056 390 D HN 0.425 nan 8.370 nan 0.000 0.494 391 K N 0.997 121.439 120.400 0.070 0.000 2.579 391 K HA 0.229 4.548 4.320 -0.000 0.000 0.250 391 K C 0.716 177.368 176.600 0.086 0.000 0.952 391 K CA -0.744 55.556 56.287 0.022 0.000 0.857 391 K CB 2.206 34.683 32.500 -0.038 0.000 1.123 391 K HN -0.300 nan 8.250 nan 0.000 0.433 392 K N 0.824 121.240 120.400 0.026 0.000 2.286 392 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 392 K C 0.192 176.846 176.600 0.091 0.000 1.045 392 K CA 1.282 57.598 56.287 0.049 0.000 0.935 392 K CB -0.139 32.351 32.500 -0.016 0.000 0.737 392 K HN 0.645 nan 8.250 nan 0.000 0.460 393 D N 0.720 121.113 120.400 -0.012 0.000 2.294 393 D HA 0.184 4.824 4.640 -0.000 0.000 0.250 393 D C 0.443 176.551 176.300 -0.320 0.000 1.058 393 D CA -0.463 53.465 54.000 -0.121 0.000 0.950 393 D CB 1.344 42.064 40.800 -0.133 0.000 1.158 393 D HN 0.149 nan 8.370 nan 0.000 0.453 394 c N -1.137 117.113 118.600 -0.583 0.000 2.547 394 c HA 0.659 5.229 4.570 -0.000 0.000 0.313 394 c C -0.106 173.505 174.090 -0.798 0.000 1.191 394 c CA -0.705 54.978 56.329 -1.076 0.000 1.474 394 c CB 0.883 41.976 42.510 -2.361 0.000 2.081 394 c HN 0.487 nan 8.230 nan 0.000 0.476 395 T N 3.542 117.739 114.554 -0.596 0.000 2.744 395 T HA 0.427 4.777 4.350 -0.000 0.000 0.291 395 T C -0.444 174.066 174.700 -0.316 0.000 0.957 395 T CA 0.177 62.080 62.100 -0.328 0.000 1.002 395 T CB 0.029 68.866 68.868 -0.052 0.000 0.919 395 T HN 0.502 nan 8.240 nan 0.000 0.468 396 F N 3.997 123.846 119.950 -0.168 0.000 2.502 396 F HA 0.206 4.732 4.527 -0.000 0.000 0.371 396 F C 1.671 177.326 175.800 -0.242 0.000 1.083 396 F CA -1.293 56.589 58.000 -0.196 0.000 1.174 396 F CB 0.071 38.954 39.000 -0.196 0.000 1.096 396 F HN 0.570 nan 8.300 nan 0.000 0.545 397 I N 0.164 120.627 120.570 -0.178 0.000 3.428 397 I HA 0.128 4.298 4.170 -0.000 0.000 0.286 397 I C 0.371 176.351 176.117 -0.228 0.000 1.287 397 I CA 0.415 61.401 61.300 -0.524 0.000 1.396 397 I CB -0.375 36.970 38.000 -1.092 0.000 1.062 397 I HN 0.515 nan 8.210 nan 0.000 0.471 398 T N -0.302 114.159 114.554 -0.155 0.000 2.792 398 T HA 0.657 5.006 4.350 -0.000 0.000 0.303 398 T C -0.811 173.512 174.700 -0.627 0.000 1.310 398 T CA -0.670 61.294 62.100 -0.227 0.000 1.007 398 T CB 2.738 71.547 68.868 -0.098 0.000 1.335 398 T HN 0.548 nan 8.240 nan 0.000 0.504 399 K N -0.473 119.319 120.400 -1.013 0.000 2.809 399 K HA 0.668 4.988 4.320 -0.000 0.000 0.293 399 K C -0.516 175.257 176.600 -1.379 0.000 1.061 399 K CA -0.521 54.679 56.287 -1.812 0.000 0.837 399 K CB 0.913 32.823 32.500 -0.983 0.000 1.524 399 K HN 1.912 nan 8.250 nan 0.000 0.370 400 G N -0.241 107.825 108.800 -1.222 0.000 2.369 400 G HA2 0.143 4.103 3.960 -0.000 0.000 0.295 400 G HA3 0.143 4.103 3.960 -0.000 0.000 0.295 400 G C -0.948 173.342 174.900 -1.016 0.000 1.298 400 G CA -0.269 44.291 45.100 -0.900 0.000 0.940 400 G HN 1.108 nan 8.290 nan 0.000 0.536 401 T N -0.631 113.405 114.554 -0.863 0.000 3.540 401 T HA 0.591 4.940 4.350 -0.000 0.000 0.269 401 T C 0.047 174.426 174.700 -0.534 0.000 1.481 401 T CA 0.215 61.573 62.100 -1.237 0.000 1.224 401 T CB -0.903 67.552 68.868 -0.689 0.000 1.192 401 T HN 1.358 nan 8.240 nan 0.000 0.756 402 W N -0.349 120.728 121.300 -0.371 0.000 3.005 402 W HA 0.626 5.286 4.660 -0.000 0.000 0.343 402 W C -1.371 175.054 176.519 -0.156 0.000 1.243 402 W CA -0.957 56.313 57.345 -0.125 0.000 1.186 402 W CB 0.744 30.137 29.460 -0.112 0.000 1.453 402 W HN 0.118 nan 8.180 nan 0.000 0.575 403 E N 0.924 121.295 120.200 0.284 0.000 2.256 403 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 403 E C -1.028 175.676 176.600 0.173 0.000 0.892 403 E CA -1.192 55.224 56.400 0.027 0.000 0.775 403 E CB 3.428 33.183 29.700 0.091 0.000 1.207 403 E HN 0.150 nan 8.360 nan 0.000 0.420 404 V N 4.334 124.244 119.914 -0.006 0.000 2.455 404 V HA -0.009 4.111 4.120 -0.000 0.000 0.273 404 V C 1.312 177.477 176.094 0.118 0.000 1.045 404 V CA 0.014 62.368 62.300 0.089 0.000 0.976 404 V CB 0.541 32.327 31.823 -0.061 0.000 0.993 404 V HN 0.695 nan 8.190 nan 0.000 0.475 405 I N 3.564 124.224 120.570 0.150 0.000 2.277 405 I HA 0.182 4.352 4.170 -0.000 0.000 0.243 405 I C 1.152 177.369 176.117 0.166 0.000 1.094 405 I CA 1.420 62.809 61.300 0.148 0.000 1.393 405 I CB -0.798 37.235 38.000 0.056 0.000 1.078 405 I HN 0.742 nan 8.210 nan 0.000 0.417 406 G N 0.207 109.104 108.800 0.161 0.000 2.601 406 G HA2 0.550 4.509 3.960 -0.000 0.000 0.291 406 G HA3 0.550 4.509 3.960 -0.000 0.000 0.291 406 G C -1.417 173.565 174.900 0.136 0.000 1.456 406 G CA -0.571 44.625 45.100 0.160 0.000 0.804 406 G HN -0.032 nan 8.290 nan 0.000 0.499 407 I N 1.425 122.030 120.570 0.059 0.000 2.315 407 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 407 I C 0.805 176.801 176.117 -0.203 0.000 1.006 407 I CA -0.632 60.589 61.300 -0.132 0.000 1.265 407 I CB 1.866 39.591 38.000 -0.460 0.000 1.387 407 I HN 0.501 nan 8.210 nan 0.000 0.475 408 E N 4.811 124.922 120.200 -0.149 0.000 2.127 408 E HA 0.274 4.624 4.350 -0.000 0.000 0.191 408 E C 0.286 176.611 176.600 -0.457 0.000 0.964 408 E CA 0.391 56.669 56.400 -0.203 0.000 0.832 408 E CB 0.457 30.105 29.700 -0.088 0.000 0.790 408 E HN 0.668 nan 8.360 nan 0.000 0.465 409 A N 0.529 123.026 122.820 -0.537 0.000 2.594 409 A HA 0.614 4.933 4.320 -0.000 0.000 0.295 409 A C -1.863 175.605 177.584 -0.193 0.000 1.071 409 A CA -0.615 51.101 52.037 -0.535 0.000 0.685 409 A CB 1.462 19.724 19.000 -1.230 0.000 1.285 409 A HN 0.055 nan 8.150 nan 0.000 0.405 410 L N 1.730 122.901 121.223 -0.086 0.000 2.457 410 L HA 0.659 4.999 4.340 -0.000 0.000 0.266 410 L C 0.149 177.063 176.870 0.074 0.000 0.979 410 L CA 0.313 55.152 54.840 -0.001 0.000 0.857 410 L CB 1.653 43.722 42.059 0.016 0.000 1.213 410 L HN 1.024 nan 8.230 nan 0.000 0.418 411 T N -0.164 114.462 114.554 0.119 0.000 2.944 411 T HA 0.390 4.740 4.350 -0.000 0.000 0.284 411 T C 1.257 176.014 174.700 0.095 0.000 1.010 411 T CA 0.005 62.188 62.100 0.138 0.000 1.025 411 T CB 1.373 70.376 68.868 0.226 0.000 1.079 411 T HN 0.651 nan 8.240 nan 0.000 0.516 412 S N 0.432 116.185 115.700 0.088 0.000 2.420 412 S HA -0.158 4.312 4.470 -0.000 0.000 0.237 412 S C 0.911 175.507 174.600 -0.007 0.000 1.023 412 S CA 1.305 59.540 58.200 0.058 0.000 0.991 412 S CB -0.517 62.718 63.200 0.058 0.000 0.792 412 S HN 0.814 nan 8.310 nan 0.000 0.488 413 D N -1.096 119.283 120.400 -0.035 0.000 2.423 413 D HA 0.247 4.887 4.640 -0.000 0.000 0.212 413 D C -0.297 175.701 176.300 -0.502 0.000 1.060 413 D CA 0.346 54.202 54.000 -0.240 0.000 0.872 413 D CB 0.284 40.948 40.800 -0.228 0.000 1.012 413 D HN 0.443 nan 8.370 nan 0.000 0.503 414 Y N -0.034 120.219 120.300 -0.078 0.000 2.609 414 Y HA 0.524 5.073 4.550 -0.000 0.000 0.342 414 Y C -0.726 175.019 175.900 -0.258 0.000 1.058 414 Y CA -1.114 56.850 58.100 -0.226 0.000 1.055 414 Y CB 2.616 40.814 38.460 -0.437 0.000 1.292 414 Y HN -0.275 nan 8.280 nan 0.000 0.476 415 L N 1.902 123.024 121.223 -0.169 0.000 2.409 415 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 415 L C -2.031 174.712 176.870 -0.212 0.000 0.980 415 L CA -0.539 54.171 54.840 -0.216 0.000 0.826 415 L CB 1.135 42.974 42.059 -0.368 0.000 1.268 415 L HN 0.613 nan 8.230 nan 0.000 0.407 416 Y N 4.703 124.940 120.300 -0.106 0.000 2.341 416 Y HA 0.574 5.124 4.550 -0.000 0.000 0.337 416 Y C -0.437 175.449 175.900 -0.023 0.000 1.014 416 Y CA -0.328 57.714 58.100 -0.097 0.000 1.111 416 Y CB 1.511 39.881 38.460 -0.149 0.000 1.194 416 Y HN 0.546 nan 8.280 nan 0.000 0.462 417 Y N 0.245 120.588 120.300 0.072 0.000 2.644 417 Y HA 0.845 5.394 4.550 -0.000 0.000 0.338 417 Y C -1.793 174.161 175.900 0.090 0.000 1.119 417 Y CA -2.057 56.070 58.100 0.044 0.000 1.060 417 Y CB 1.239 39.706 38.460 0.012 0.000 1.294 417 Y HN 0.404 nan 8.280 nan 0.000 0.472 418 I N 2.821 123.551 120.570 0.266 0.000 2.474 418 I HA 0.651 4.821 4.170 -0.000 0.000 0.294 418 I C -0.664 175.589 176.117 0.225 0.000 1.005 418 I CA -0.655 60.735 61.300 0.150 0.000 1.113 418 I CB 2.164 40.204 38.000 0.066 0.000 1.289 418 I HN 0.863 nan 8.210 nan 0.000 0.436 419 S N 2.636 118.411 115.700 0.125 0.000 2.607 419 S HA 0.369 4.839 4.470 -0.000 0.000 0.273 419 S C -0.387 174.169 174.600 -0.073 0.000 1.148 419 S CA -0.914 57.308 58.200 0.037 0.000 0.833 419 S CB 1.705 64.857 63.200 -0.081 0.000 1.130 419 S HN 0.670 nan 8.310 nan 0.000 0.470 420 N N -0.049 118.604 118.700 -0.079 0.000 2.276 420 N HA 0.082 4.821 4.740 -0.000 0.000 0.212 420 N C 0.831 176.250 175.510 -0.151 0.000 1.127 420 N CA 0.105 53.089 53.050 -0.111 0.000 0.834 420 N CB 0.018 38.449 38.487 -0.095 0.000 1.014 420 N HN 0.837 nan 8.380 nan 0.000 0.491 421 E N 0.271 120.240 120.200 -0.386 0.000 2.033 421 E HA -0.285 4.065 4.350 -0.000 0.000 0.199 421 E C -0.175 176.234 176.600 -0.319 0.000 1.011 421 E CA 0.585 56.529 56.400 -0.760 0.000 0.815 421 E CB -0.273 28.393 29.700 -1.724 0.000 0.755 421 E HN 0.449 nan 8.360 nan 0.000 0.451 422 Y N 1.622 121.787 120.300 -0.225 0.000 2.987 422 Y HA -0.208 4.342 4.550 -0.000 0.000 0.339 422 Y C 0.558 176.411 175.900 -0.079 0.000 1.272 422 Y CA 1.435 59.481 58.100 -0.090 0.000 1.562 422 Y CB 0.308 38.749 38.460 -0.032 0.000 1.253 422 Y HN 0.172 nan 8.280 nan 0.000 0.604 423 K N 3.052 123.083 120.400 -0.615 0.000 3.086 423 K HA -0.270 4.050 4.320 -0.000 0.000 0.288 423 K C 0.765 177.283 176.600 -0.136 0.000 1.127 423 K CA 0.898 56.937 56.287 -0.412 0.000 0.854 423 K CB -1.871 30.400 32.500 -0.383 0.000 1.213 423 K HN 1.300 nan 8.250 nan 0.000 0.456 424 G N 0.947 109.680 108.800 -0.111 0.000 2.366 424 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.299 424 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.299 424 G C -0.098 174.787 174.900 -0.026 0.000 1.020 424 G CA 0.869 45.949 45.100 -0.033 0.000 1.026 424 G HN 0.320 nan 8.290 nan 0.000 0.512 425 M N -0.306 119.208 119.600 -0.143 0.000 2.078 425 M HA 0.267 4.747 4.480 -0.000 0.000 0.320 425 M C -1.402 174.652 176.300 -0.411 0.000 0.969 425 M CA -2.186 52.868 55.300 -0.409 0.000 0.929 425 M CB 2.259 34.681 32.600 -0.297 0.000 1.504 425 M HN -0.096 nan 8.290 nan 0.000 0.419 426 P HA -0.096 nan 4.420 nan 0.000 0.216 426 P C 0.992 178.128 177.300 -0.272 0.000 1.150 426 P CA 1.006 63.909 63.100 -0.329 0.000 0.837 426 P CB 0.163 31.651 31.700 -0.354 0.000 0.786 427 G N -0.628 107.953 108.800 -0.366 0.000 3.574 427 G HA2 0.424 4.384 3.960 -0.000 0.000 0.262 427 G HA3 0.424 4.384 3.960 -0.000 0.000 0.262 427 G C 0.273 175.132 174.900 -0.068 0.000 1.231 427 G CA 0.055 45.069 45.100 -0.143 0.000 1.608 427 G HN 0.384 nan 8.290 nan 0.000 0.628 428 G N -0.170 108.521 108.800 -0.182 0.000 2.672 428 G HA2 0.732 4.692 3.960 -0.000 0.000 0.292 428 G HA3 0.732 4.692 3.960 -0.000 0.000 0.292 428 G C -1.207 173.453 174.900 -0.400 0.000 1.375 428 G CA -0.872 44.108 45.100 -0.200 0.000 0.890 428 G HN 0.195 nan 8.290 nan 0.000 0.476 429 R N 0.476 120.722 120.500 -0.423 0.000 2.626 429 R HA 0.544 4.884 4.340 -0.000 0.000 0.274 429 R C -1.511 174.729 176.300 -0.101 0.000 1.031 429 R CA -0.905 54.976 56.100 -0.365 0.000 0.898 429 R CB 2.286 32.175 30.300 -0.685 0.000 1.222 429 R HN 0.630 nan 8.270 nan 0.000 0.455 430 N N 1.236 119.894 118.700 -0.070 0.000 2.446 430 N HA 0.210 4.950 4.740 -0.000 0.000 0.272 430 N C -1.457 173.915 175.510 -0.229 0.000 1.127 430 N CA -0.763 52.182 53.050 -0.175 0.000 0.896 430 N CB 2.543 40.860 38.487 -0.284 0.000 1.658 430 N HN 0.304 nan 8.380 nan 0.000 0.483 431 L N 2.167 123.137 121.223 -0.421 0.000 2.331 431 L HA 0.422 4.761 4.340 -0.000 0.000 0.278 431 L C -1.200 175.321 176.870 -0.581 0.000 1.106 431 L CA 0.276 54.890 54.840 -0.376 0.000 0.824 431 L CB -0.137 41.685 42.059 -0.394 0.000 1.142 431 L HN 0.424 nan 8.230 nan 0.000 0.443 432 Y N 3.649 123.607 120.300 -0.570 0.000 2.524 432 Y HA 0.543 5.093 4.550 -0.000 0.000 0.344 432 Y C -0.313 175.240 175.900 -0.580 0.000 1.012 432 Y CA -0.732 56.948 58.100 -0.700 0.000 1.068 432 Y CB 1.773 39.495 38.460 -1.229 0.000 1.249 432 Y HN 0.480 nan 8.280 nan 0.000 0.468 433 K N 3.435 123.669 120.400 -0.278 0.000 2.376 433 K HA 0.640 4.959 4.320 -0.000 0.000 0.257 433 K C -1.840 174.714 176.600 -0.077 0.000 0.939 433 K CA -0.545 55.529 56.287 -0.355 0.000 0.809 433 K CB 1.362 33.564 32.500 -0.497 0.000 1.121 433 K HN 0.764 nan 8.250 nan 0.000 0.425 434 I N 3.529 124.115 120.570 0.027 0.000 2.498 434 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 434 I C -0.928 175.283 176.117 0.157 0.000 1.032 434 I CA -0.754 60.645 61.300 0.164 0.000 1.073 434 I CB 1.900 40.027 38.000 0.213 0.000 1.251 434 I HN 0.747 nan 8.210 nan 0.000 0.426 435 Q N 6.499 126.368 119.800 0.115 0.000 2.307 435 Q HA 0.203 4.543 4.340 -0.000 0.000 0.261 435 Q C 0.326 176.286 176.000 -0.067 0.000 1.051 435 Q CA -0.198 55.530 55.803 -0.126 0.000 0.911 435 Q CB 1.003 29.672 28.738 -0.115 0.000 1.227 435 Q HN 0.816 nan 8.270 nan 0.000 0.418 436 L N 2.360 123.495 121.223 -0.148 0.000 2.265 436 L HA -0.173 4.166 4.340 -0.000 0.000 0.215 436 L C 1.879 178.632 176.870 -0.194 0.000 1.117 436 L CA 1.142 55.953 54.840 -0.048 0.000 0.782 436 L CB -0.319 41.695 42.059 -0.075 0.000 0.914 436 L HN 0.643 nan 8.230 nan 0.000 0.441 437 S N -2.286 113.279 115.700 -0.226 0.000 2.593 437 S HA 0.038 4.508 4.470 -0.000 0.000 0.217 437 S C 0.224 174.671 174.600 -0.255 0.000 0.966 437 S CA -0.108 57.958 58.200 -0.224 0.000 0.914 437 S CB 0.038 63.133 63.200 -0.175 0.000 0.776 437 S HN 0.439 nan 8.310 nan 0.000 0.523 438 D N -0.369 119.867 120.400 -0.273 0.000 2.192 438 D HA 0.115 4.755 4.640 -0.000 0.000 0.200 438 D C -0.719 175.541 176.300 -0.067 0.000 1.281 438 D CA -0.496 53.371 54.000 -0.221 0.000 0.895 438 D CB -0.326 40.405 40.800 -0.115 0.000 1.643 438 D HN -0.061 nan 8.370 nan 0.000 0.510 439 Y N 1.502 121.789 120.300 -0.022 0.000 2.680 439 Y HA 0.024 4.574 4.550 -0.000 0.000 0.303 439 Y C 2.421 178.333 175.900 0.020 0.000 1.166 439 Y CA 1.227 59.327 58.100 -0.001 0.000 1.344 439 Y CB -0.748 37.713 38.460 0.002 0.000 1.002 439 Y HN 0.513 nan 8.280 nan 0.000 0.537 440 T N -3.707 110.926 114.554 0.133 0.000 3.054 440 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 440 T C 0.886 175.641 174.700 0.091 0.000 1.092 440 T CA 0.080 62.238 62.100 0.096 0.000 1.121 440 T CB 0.045 68.943 68.868 0.051 0.000 0.912 440 T HN -0.183 nan 8.240 nan 0.000 0.489 441 K N 2.792 123.244 120.400 0.087 0.000 2.150 441 K HA 0.456 4.775 4.320 -0.000 0.000 0.261 441 K C -1.046 175.627 176.600 0.122 0.000 1.127 441 K CA -0.182 56.156 56.287 0.086 0.000 0.989 441 K CB 0.516 33.053 32.500 0.061 0.000 1.475 441 K HN 0.237 nan 8.250 nan 0.000 0.391 442 V N 2.502 122.491 119.914 0.126 0.000 2.384 442 V HA 0.304 4.423 4.120 -0.000 0.000 0.287 442 V C 0.220 176.383 176.094 0.116 0.000 1.020 442 V CA -0.631 61.761 62.300 0.152 0.000 0.850 442 V CB 1.869 33.811 31.823 0.198 0.000 0.987 442 V HN 0.512 nan 8.190 nan 0.000 0.436 443 T N 3.230 117.820 114.554 0.060 0.000 2.918 443 T HA 0.351 4.701 4.350 -0.000 0.000 0.286 443 T C -0.558 174.050 174.700 -0.154 0.000 1.026 443 T CA -0.347 61.729 62.100 -0.039 0.000 1.031 443 T CB 1.646 70.452 68.868 -0.104 0.000 1.046 443 T HN 0.753 nan 8.240 nan 0.000 0.479 444 C N 3.881 122.988 119.300 -0.322 0.000 2.264 444 C HA 0.521 4.980 4.460 -0.000 0.000 0.324 444 C C 1.360 175.985 174.990 -0.608 0.000 1.267 444 C CA -0.680 57.850 59.018 -0.814 0.000 1.618 444 C CB -1.763 25.454 27.740 -0.872 0.000 2.278 444 C HN 0.979 nan 8.230 nan 0.000 0.499 445 L N 4.530 125.373 121.223 -0.633 0.000 2.591 445 L HA 0.112 4.451 4.340 -0.000 0.000 0.228 445 L C 1.755 178.278 176.870 -0.578 0.000 1.133 445 L CA 0.752 55.302 54.840 -0.484 0.000 0.880 445 L CB -0.109 41.714 42.059 -0.393 0.000 1.033 445 L HN 0.905 nan 8.230 nan 0.000 0.450 446 S N -4.612 110.647 115.700 -0.736 0.000 2.820 446 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 446 S C 1.399 175.545 174.600 -0.756 0.000 1.043 446 S CA -0.371 57.289 58.200 -0.901 0.000 1.245 446 S CB -0.388 61.911 63.200 -1.501 0.000 1.187 446 S HN 0.232 nan 8.310 nan 0.000 0.673 447 C N 2.404 121.279 119.300 -0.708 0.000 2.436 447 C HA 0.071 4.530 4.460 -0.000 0.000 0.277 447 C C 2.381 177.059 174.990 -0.520 0.000 1.241 447 C CA 1.003 59.539 59.018 -0.804 0.000 1.721 447 C CB -0.740 26.381 27.740 -1.032 0.000 2.043 447 C HN 0.568 nan 8.230 nan 0.000 0.472 448 E N 0.551 120.543 120.200 -0.346 0.000 2.479 448 E HA 0.159 4.509 4.350 -0.000 0.000 0.193 448 E C 1.979 178.505 176.600 -0.123 0.000 1.049 448 E CA -0.020 56.274 56.400 -0.177 0.000 0.870 448 E CB -0.453 29.180 29.700 -0.111 0.000 0.944 448 E HN 0.613 nan 8.360 nan 0.000 0.492 449 L N 0.526 121.655 121.223 -0.156 0.000 2.034 449 L HA -0.188 4.151 4.340 -0.000 0.000 0.217 449 L C 0.986 177.844 176.870 -0.019 0.000 1.077 449 L CA 1.233 56.023 54.840 -0.084 0.000 0.769 449 L CB -0.149 41.851 42.059 -0.099 0.000 0.890 449 L HN 0.106 nan 8.230 nan 0.000 0.435 450 N N -1.714 116.991 118.700 0.008 0.000 2.969 450 N HA 0.096 4.835 4.740 -0.000 0.000 0.230 450 N C -2.177 173.344 175.510 0.019 0.000 1.397 450 N CA -0.874 52.185 53.050 0.014 0.000 0.762 450 N CB 1.096 39.593 38.487 0.018 0.000 1.495 450 N HN -0.168 nan 8.380 nan 0.000 0.583 451 P HA -0.058 nan 4.420 nan 0.000 0.226 451 P C 0.458 177.787 177.300 0.047 0.000 1.153 451 P CA 1.087 64.209 63.100 0.036 0.000 0.777 451 P CB 0.833 32.570 31.700 0.062 0.000 0.794 452 E N 0.232 120.446 120.200 0.024 0.000 2.065 452 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 452 E C 2.340 178.936 176.600 -0.007 0.000 0.960 452 E CA 0.263 56.673 56.400 0.015 0.000 0.824 452 E CB -0.327 29.377 29.700 0.006 0.000 0.793 452 E HN 0.124 nan 8.360 nan 0.000 0.459 453 R N 0.415 120.898 120.500 -0.027 0.000 2.189 453 R HA -0.001 4.339 4.340 -0.000 0.000 0.218 453 R C -0.199 176.044 176.300 -0.094 0.000 1.074 453 R CA 0.654 56.715 56.100 -0.064 0.000 0.991 453 R CB 0.199 30.456 30.300 -0.072 0.000 0.883 453 R HN 0.126 nan 8.270 nan 0.000 0.457 454 c N 0.235 118.790 118.600 -0.076 0.000 2.381 454 c HA 0.380 4.949 4.570 -0.000 0.000 0.328 454 c C -0.127 173.915 174.090 -0.080 0.000 1.190 454 c CA -0.779 55.443 56.329 -0.179 0.000 1.369 454 c CB 1.614 43.941 42.510 -0.306 0.000 2.029 454 c HN 0.484 nan 8.230 nan 0.000 0.448 455 Q N 0.241 119.986 119.800 -0.093 0.000 2.103 455 Q HA 0.204 4.544 4.340 -0.000 0.000 0.219 455 Q C -0.958 175.059 176.000 0.029 0.000 0.784 455 Q CA 0.082 55.898 55.803 0.023 0.000 1.014 455 Q CB 1.281 30.058 28.738 0.065 0.000 1.183 455 Q HN 0.783 nan 8.270 nan 0.000 0.469 456 Y N 0.517 120.681 120.300 -0.227 0.000 2.445 456 Y HA 0.374 4.924 4.550 -0.000 0.000 0.332 456 Y C -1.589 174.142 175.900 -0.282 0.000 1.037 456 Y CA -1.156 56.842 58.100 -0.170 0.000 1.296 456 Y CB 0.590 38.966 38.460 -0.140 0.000 1.099 456 Y HN -0.069 nan 8.280 nan 0.000 0.496 457 Y N 1.756 122.003 120.300 -0.089 0.000 2.528 457 Y HA 0.685 5.235 4.550 -0.000 0.000 0.335 457 Y C 0.316 176.184 175.900 -0.054 0.000 1.093 457 Y CA -0.638 57.421 58.100 -0.069 0.000 1.134 457 Y CB 2.302 40.675 38.460 -0.145 0.000 1.253 457 Y HN 0.413 nan 8.280 nan 0.000 0.478 458 S N 0.559 116.355 115.700 0.160 0.000 2.627 458 S HA 0.831 5.301 4.470 -0.000 0.000 0.283 458 S C -1.967 172.697 174.600 0.107 0.000 1.127 458 S CA -0.585 57.686 58.200 0.118 0.000 0.863 458 S CB 1.632 64.906 63.200 0.123 0.000 1.121 458 S HN 0.556 nan 8.310 nan 0.000 0.479 459 V N 1.610 121.594 119.914 0.117 0.000 3.049 459 V HA 0.856 4.976 4.120 -0.000 0.000 0.309 459 V C -1.107 175.100 176.094 0.189 0.000 1.148 459 V CA -0.290 62.068 62.300 0.098 0.000 0.990 459 V CB 2.316 34.126 31.823 -0.022 0.000 1.039 459 V HN 0.889 nan 8.190 nan 0.000 0.430 460 S N 4.848 120.651 115.700 0.173 0.000 2.756 460 S HA 0.717 5.187 4.470 -0.000 0.000 0.303 460 S C -1.146 173.596 174.600 0.236 0.000 1.135 460 S CA -0.389 57.991 58.200 0.301 0.000 1.066 460 S CB 0.392 63.797 63.200 0.343 0.000 1.008 460 S HN 0.483 nan 8.310 nan 0.000 0.482 461 F N 2.479 122.398 119.950 -0.051 0.000 2.380 461 F HA 0.528 5.055 4.527 -0.000 0.000 0.321 461 F C 1.440 176.720 175.800 -0.867 0.000 1.103 461 F CA -0.549 57.248 58.000 -0.339 0.000 1.067 461 F CB 1.019 39.847 39.000 -0.287 0.000 1.265 461 F HN 0.582 nan 8.300 nan 0.000 0.517 462 S N 0.516 115.626 115.700 -0.984 0.000 2.671 462 S HA 0.270 4.740 4.470 -0.000 0.000 0.272 462 S C 1.076 175.524 174.600 -0.253 0.000 1.174 462 S CA -0.799 56.760 58.200 -1.068 0.000 1.004 462 S CB 0.695 63.256 63.200 -1.065 0.000 1.077 462 S HN 0.447 nan 8.310 nan 0.000 0.553 463 K N 0.875 121.243 120.400 -0.054 0.000 2.103 463 K HA -0.055 4.264 4.320 -0.000 0.000 0.207 463 K C 0.662 177.272 176.600 0.017 0.000 1.048 463 K CA 1.322 57.624 56.287 0.025 0.000 0.930 463 K CB -0.310 32.225 32.500 0.058 0.000 0.716 463 K HN 0.639 nan 8.250 nan 0.000 0.444 464 E N -0.906 119.301 120.200 0.011 0.000 2.651 464 E HA 0.235 4.585 4.350 -0.000 0.000 0.208 464 E C -0.129 176.488 176.600 0.028 0.000 0.997 464 E CA -0.052 56.368 56.400 0.034 0.000 1.020 464 E CB 0.599 30.334 29.700 0.058 0.000 1.052 464 E HN 0.167 nan 8.360 nan 0.000 0.465 465 A N 1.553 124.374 122.820 0.002 0.000 2.791 465 A HA -0.302 4.018 4.320 -0.000 0.000 0.292 465 A C 1.370 178.970 177.584 0.027 0.000 1.487 465 A CA 1.585 53.651 52.037 0.049 0.000 0.760 465 A CB -2.101 16.909 19.000 0.016 0.000 1.031 465 A HN 0.256 nan 8.150 nan 0.000 0.503 466 K N -1.805 118.579 120.400 -0.028 0.000 2.262 466 K HA 0.274 4.594 4.320 -0.000 0.000 0.200 466 K C 0.212 176.559 176.600 -0.421 0.000 1.049 466 K CA 1.260 57.450 56.287 -0.162 0.000 0.979 466 K CB 0.140 32.617 32.500 -0.037 0.000 0.773 466 K HN 0.726 nan 8.250 nan 0.000 0.474 467 Y N -1.411 118.775 120.300 -0.190 0.000 2.677 467 Y HA 0.338 4.888 4.550 -0.000 0.000 0.334 467 Y C -1.187 174.497 175.900 -0.361 0.000 1.154 467 Y CA -1.458 56.494 58.100 -0.247 0.000 1.070 467 Y CB 1.664 40.025 38.460 -0.166 0.000 1.294 467 Y HN -0.046 nan 8.280 nan 0.000 0.475 468 Y N -1.175 119.001 120.300 -0.207 0.000 2.521 468 Y HA 0.396 4.946 4.550 -0.000 0.000 0.328 468 Y C -1.587 174.261 175.900 -0.086 0.000 1.151 468 Y CA -1.347 56.500 58.100 -0.420 0.000 1.054 468 Y CB 1.442 39.146 38.460 -1.260 0.000 1.338 468 Y HN 0.579 nan 8.280 nan 0.000 0.453 469 Q N 4.618 124.524 119.800 0.176 0.000 2.368 469 Q HA 0.473 4.812 4.340 -0.000 0.000 0.256 469 Q C -1.444 174.629 176.000 0.123 0.000 0.980 469 Q CA -0.544 55.329 55.803 0.117 0.000 0.887 469 Q CB 1.016 29.791 28.738 0.061 0.000 1.221 469 Q HN 0.949 nan 8.270 nan 0.000 0.458 470 L N 3.764 125.076 121.223 0.148 0.000 2.436 470 L HA 0.373 4.712 4.340 -0.000 0.000 0.265 470 L C 0.235 177.131 176.870 0.043 0.000 1.168 470 L CA -0.096 54.810 54.840 0.111 0.000 0.815 470 L CB 0.679 42.784 42.059 0.076 0.000 1.109 470 L HN 0.600 nan 8.230 nan 0.000 0.462 471 R N 1.725 122.229 120.500 0.006 0.000 2.607 471 R HA 0.211 4.550 4.340 -0.000 0.000 0.278 471 R C -1.018 175.082 176.300 -0.334 0.000 1.637 471 R CA -0.532 55.371 56.100 -0.327 0.000 1.325 471 R CB 1.191 31.341 30.300 -0.250 0.000 1.211 471 R HN 0.602 nan 8.270 nan 0.000 0.565 472 c N 2.576 120.923 118.600 -0.422 0.000 2.648 472 c HA 0.216 4.786 4.570 -0.000 0.000 0.415 472 c C 1.345 175.179 174.090 -0.426 0.000 1.366 472 c CA 0.027 55.984 56.329 -0.620 0.000 1.756 472 c CB -0.442 41.723 42.510 -0.576 0.000 2.549 472 c HN 0.884 nan 8.230 nan 0.000 0.597 473 S N 4.226 119.742 115.700 -0.306 0.000 2.668 473 S HA 0.635 5.105 4.470 -0.000 0.000 0.244 473 S C 0.096 174.627 174.600 -0.116 0.000 1.140 473 S CA 0.229 58.327 58.200 -0.170 0.000 1.134 473 S CB -0.146 62.978 63.200 -0.126 0.000 0.954 473 S HN 2.344 nan 8.310 nan 0.000 0.490 474 G N 2.492 111.216 108.800 -0.127 0.000 2.362 474 G HA2 0.145 4.104 3.960 -0.000 0.000 0.656 474 G HA3 0.145 4.104 3.960 -0.000 0.000 0.656 474 G C -2.706 172.159 174.900 -0.057 0.000 1.376 474 G CA -0.307 44.766 45.100 -0.045 0.000 0.971 474 G HN 0.000 nan 8.290 nan 0.000 0.636 475 P HA 0.048 nan 4.420 nan 0.000 0.220 475 P C 1.452 178.743 177.300 -0.015 0.000 1.148 475 P CA 1.768 64.889 63.100 0.035 0.000 0.803 475 P CB 0.077 31.801 31.700 0.040 0.000 0.782 476 G N 0.347 109.080 108.800 -0.111 0.000 2.611 476 G HA2 0.329 4.289 3.960 -0.000 0.000 0.273 476 G HA3 0.329 4.289 3.960 -0.000 0.000 0.273 476 G C 0.006 174.665 174.900 -0.402 0.000 1.305 476 G CA -0.658 44.305 45.100 -0.228 0.000 1.010 476 G HN 0.072 nan 8.290 nan 0.000 0.509 477 L N 0.564 121.470 121.223 -0.527 0.000 2.479 477 L HA 0.136 4.476 4.340 -0.000 0.000 0.270 477 L C -1.815 174.908 176.870 -0.246 0.000 1.236 477 L CA -1.177 53.327 54.840 -0.560 0.000 0.823 477 L CB 0.325 42.141 42.059 -0.404 0.000 1.098 477 L HN 0.247 nan 8.230 nan 0.000 0.500 478 P HA 0.107 nan 4.420 nan 0.000 0.268 478 P C -1.071 176.240 177.300 0.018 0.000 1.204 478 P CA -0.041 63.042 63.100 -0.029 0.000 0.768 478 P CB 0.732 32.524 31.700 0.154 0.000 0.842 479 L N 5.350 126.508 121.223 -0.109 0.000 2.409 479 L HA 0.517 4.857 4.340 -0.000 0.000 0.272 479 L C -1.767 175.022 176.870 -0.135 0.000 0.980 479 L CA -0.739 54.089 54.840 -0.020 0.000 0.826 479 L CB 0.958 42.981 42.059 -0.061 0.000 1.268 479 L HN 0.225 nan 8.230 nan 0.000 0.407 480 Y N 2.367 122.630 120.300 -0.062 0.000 2.393 480 Y HA 0.811 5.360 4.550 -0.000 0.000 0.341 480 Y C 0.362 176.162 175.900 -0.167 0.000 0.988 480 Y CA -0.499 57.534 58.100 -0.110 0.000 1.078 480 Y CB 2.340 40.693 38.460 -0.178 0.000 1.203 480 Y HN 0.680 nan 8.280 nan 0.000 0.453 481 T N 0.644 115.175 114.554 -0.038 0.000 2.932 481 T HA 0.595 4.945 4.350 -0.000 0.000 0.318 481 T C -1.755 172.756 174.700 -0.316 0.000 1.265 481 T CA -0.795 61.201 62.100 -0.174 0.000 1.036 481 T CB 1.433 70.245 68.868 -0.094 0.000 1.209 481 T HN 0.403 nan 8.240 nan 0.000 0.484 482 L N 2.741 123.660 121.223 -0.507 0.000 2.325 482 L HA 0.638 4.977 4.340 -0.000 0.000 0.279 482 L C -0.468 175.872 176.870 -0.884 0.000 1.054 482 L CA -0.096 54.457 54.840 -0.478 0.000 0.804 482 L CB 0.731 42.622 42.059 -0.280 0.000 1.200 482 L HN 0.792 nan 8.230 nan 0.000 0.436 483 H N 1.730 120.559 119.070 -0.402 0.000 2.865 483 H HA 0.243 4.799 4.556 -0.000 0.000 0.362 483 H C -1.005 174.047 175.328 -0.459 0.000 1.114 483 H CA -0.698 55.013 56.048 -0.562 0.000 1.208 483 H CB 2.141 31.250 29.762 -1.088 0.000 1.727 483 H HN 0.467 nan 8.280 nan 0.000 0.534 484 S N 1.342 116.942 115.700 -0.167 0.000 2.465 484 S HA 0.117 4.587 4.470 -0.000 0.000 0.279 484 S C 0.992 175.480 174.600 -0.187 0.000 1.201 484 S CA -0.426 57.658 58.200 -0.194 0.000 1.053 484 S CB 0.593 63.717 63.200 -0.127 0.000 0.953 484 S HN 0.621 nan 8.310 nan 0.000 0.488 485 S N 4.104 119.689 115.700 -0.190 0.000 2.355 485 S HA -0.114 4.355 4.470 -0.000 0.000 0.222 485 S C 2.028 176.623 174.600 -0.009 0.000 1.031 485 S CA 1.170 59.380 58.200 0.016 0.000 0.993 485 S CB -0.499 62.721 63.200 0.033 0.000 0.859 485 S HN 0.713 nan 8.310 nan 0.000 0.453 486 V N 3.993 123.863 119.914 -0.074 0.000 2.278 486 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 486 V C 1.367 177.453 176.094 -0.014 0.000 1.062 486 V CA 2.556 64.839 62.300 -0.027 0.000 1.038 486 V CB -0.682 31.106 31.823 -0.058 0.000 0.646 486 V HN 0.837 nan 8.190 nan 0.000 0.447 487 N N -2.685 115.993 118.700 -0.037 0.000 2.187 487 N HA 0.061 4.801 4.740 -0.000 0.000 0.212 487 N C -0.272 175.223 175.510 -0.025 0.000 1.152 487 N CA 0.349 53.384 53.050 -0.024 0.000 0.872 487 N CB 0.391 38.864 38.487 -0.023 0.000 1.025 487 N HN 0.361 nan 8.380 nan 0.000 0.514 488 D N 1.141 121.530 120.400 -0.017 0.000 2.686 488 D HA -0.121 4.519 4.640 -0.000 0.000 0.235 488 D C -0.523 175.772 176.300 -0.010 0.000 1.160 488 D CA 1.103 55.105 54.000 0.004 0.000 0.645 488 D CB -0.427 40.364 40.800 -0.015 0.000 1.039 488 D HN 0.405 nan 8.370 nan 0.000 0.423 489 K N -0.379 120.010 120.400 -0.018 0.000 2.095 489 K HA 0.591 4.911 4.320 -0.000 0.000 0.252 489 K C 0.927 177.538 176.600 0.019 0.000 0.977 489 K CA -0.536 55.747 56.287 -0.007 0.000 0.900 489 K CB 1.297 33.780 32.500 -0.028 0.000 1.060 489 K HN 0.136 nan 8.250 nan 0.000 0.449 490 G N 2.269 111.069 108.800 0.000 0.000 2.457 490 G HA2 0.268 4.228 3.960 -0.000 0.000 0.316 490 G HA3 0.268 4.228 3.960 -0.000 0.000 0.316 490 G C 1.093 175.885 174.900 -0.179 0.000 1.030 490 G CA -0.384 44.650 45.100 -0.109 0.000 1.073 490 G HN 0.453 nan 8.290 nan 0.000 0.430 491 L N 1.504 122.571 121.223 -0.260 0.000 1.961 491 L HA 0.110 4.450 4.340 -0.000 0.000 0.210 491 L C 1.896 178.676 176.870 -0.149 0.000 1.072 491 L CA 1.402 56.149 54.840 -0.156 0.000 0.749 491 L CB -0.287 41.695 42.059 -0.128 0.000 0.889 491 L HN 0.724 nan 8.230 nan 0.000 0.432 492 R N -2.085 118.283 120.500 -0.220 0.000 2.907 492 R HA 0.505 4.845 4.340 -0.000 0.000 0.266 492 R C -1.688 174.492 176.300 -0.200 0.000 1.031 492 R CA -0.877 55.128 56.100 -0.159 0.000 0.904 492 R CB 1.614 31.854 30.300 -0.099 0.000 1.358 492 R HN -0.238 nan 8.270 nan 0.000 0.438 493 V N 2.243 122.076 119.914 -0.135 0.000 2.370 493 V HA 0.288 4.408 4.120 -0.000 0.000 0.283 493 V C 0.958 176.962 176.094 -0.151 0.000 1.023 493 V CA -0.640 61.587 62.300 -0.123 0.000 0.857 493 V CB 1.485 33.274 31.823 -0.057 0.000 0.985 493 V HN 0.612 nan 8.190 nan 0.000 0.443 494 L N 2.778 123.848 121.223 -0.255 0.000 2.477 494 L HA 0.377 4.717 4.340 -0.000 0.000 0.220 494 L C 0.478 177.260 176.870 -0.145 0.000 1.106 494 L CA 0.463 55.030 54.840 -0.455 0.000 0.851 494 L CB 0.214 41.536 42.059 -1.229 0.000 0.994 494 L HN 0.692 nan 8.230 nan 0.000 0.462 495 E N 0.619 120.803 120.200 -0.027 0.000 2.879 495 E HA 0.029 4.379 4.350 -0.000 0.000 0.345 495 E C -1.163 175.504 176.600 0.112 0.000 0.955 495 E CA -0.262 56.172 56.400 0.056 0.000 0.801 495 E CB 0.585 30.272 29.700 -0.021 0.000 1.324 495 E HN 0.152 nan 8.360 nan 0.000 0.417 496 D N 3.445 123.887 120.400 0.069 0.000 2.402 496 D HA 0.134 4.774 4.640 -0.000 0.000 0.216 496 D C -0.138 176.187 176.300 0.041 0.000 1.128 496 D CA -0.327 53.705 54.000 0.053 0.000 0.833 496 D CB -0.089 40.724 40.800 0.023 0.000 0.971 496 D HN 0.457 nan 8.370 nan 0.000 0.503 497 N N 0.783 119.517 118.700 0.056 0.000 2.686 497 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 497 N C 1.050 176.572 175.510 0.021 0.000 1.082 497 N CA 0.934 54.009 53.050 0.042 0.000 0.725 497 N CB -0.996 37.513 38.487 0.036 0.000 1.009 497 N HN 0.524 nan 8.380 nan 0.000 0.545 498 S N -1.331 114.382 115.700 0.022 0.000 2.399 498 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 498 S C 2.085 176.700 174.600 0.025 0.000 1.022 498 S CA 0.945 59.154 58.200 0.015 0.000 0.983 498 S CB -0.114 63.096 63.200 0.017 0.000 0.803 498 S HN 0.485 nan 8.310 nan 0.000 0.480 499 A N 2.334 125.178 122.820 0.039 0.000 1.858 499 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 499 A C 2.247 179.872 177.584 0.069 0.000 1.190 499 A CA 1.670 53.739 52.037 0.053 0.000 0.617 499 A CB -1.068 17.966 19.000 0.057 0.000 0.827 499 A HN 0.559 nan 8.150 nan 0.000 0.443 500 L N 0.606 121.875 121.223 0.076 0.000 2.079 500 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 500 L C 1.982 178.885 176.870 0.054 0.000 1.081 500 L CA 2.769 57.670 54.840 0.101 0.000 0.752 500 L CB -0.743 41.378 42.059 0.104 0.000 0.896 500 L HN 0.571 nan 8.230 nan 0.000 0.433 501 D N -0.447 119.961 120.400 0.015 0.000 2.117 501 D HA -0.275 4.364 4.640 -0.000 0.000 0.197 501 D C 2.092 178.393 176.300 0.002 0.000 0.987 501 D CA 1.393 55.383 54.000 -0.017 0.000 0.829 501 D CB 0.057 40.838 40.800 -0.032 0.000 0.961 501 D HN 0.490 nan 8.370 nan 0.000 0.460 502 K N -0.068 120.345 120.400 0.023 0.000 2.026 502 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 502 K C 2.466 179.092 176.600 0.044 0.000 1.048 502 K CA 1.163 57.469 56.287 0.031 0.000 0.929 502 K CB -0.059 32.465 32.500 0.040 0.000 0.713 502 K HN 0.165 nan 8.250 nan 0.000 0.439 503 M N 0.744 120.389 119.600 0.075 0.000 2.086 503 M HA -0.144 4.335 4.480 -0.000 0.000 0.261 503 M C 2.176 178.478 176.300 0.003 0.000 1.067 503 M CA 1.412 56.781 55.300 0.115 0.000 1.116 503 M CB -0.294 32.466 32.600 0.267 0.000 1.348 503 M HN 0.117 nan 8.290 nan 0.000 0.407 504 L N 0.233 121.423 121.223 -0.055 0.000 2.353 504 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 504 L C 2.624 179.447 176.870 -0.078 0.000 1.133 504 L CA 0.804 55.561 54.840 -0.138 0.000 0.798 504 L CB -0.590 41.422 42.059 -0.078 0.000 0.922 504 L HN 0.429 nan 8.230 nan 0.000 0.445 505 Q N -0.547 119.234 119.800 -0.032 0.000 2.224 505 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 505 Q C 1.501 177.500 176.000 -0.001 0.000 0.970 505 Q CA 1.138 56.933 55.803 -0.013 0.000 0.865 505 Q CB -0.277 28.462 28.738 0.002 0.000 0.922 505 Q HN 0.629 nan 8.270 nan 0.000 0.445 506 N N 0.433 119.137 118.700 0.006 0.000 2.398 506 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 506 N C -0.343 175.185 175.510 0.030 0.000 1.122 506 N CA -0.234 52.834 53.050 0.031 0.000 0.866 506 N CB 0.760 39.283 38.487 0.060 0.000 0.970 506 N HN -0.062 nan 8.380 nan 0.000 0.462 507 V N 0.543 120.450 119.914 -0.012 0.000 2.864 507 V HA 0.295 4.415 4.120 -0.000 0.000 0.314 507 V C -1.085 175.016 176.094 0.012 0.000 1.073 507 V CA -0.722 61.580 62.300 0.003 0.000 0.956 507 V CB 2.070 33.848 31.823 -0.075 0.000 1.023 507 V HN 0.037 nan 8.190 nan 0.000 0.435 508 Q N 5.850 125.679 119.800 0.049 0.000 2.423 508 Q HA 0.390 4.730 4.340 -0.000 0.000 0.235 508 Q C -0.680 175.329 176.000 0.016 0.000 1.100 508 Q CA -0.269 55.554 55.803 0.033 0.000 0.908 508 Q CB 0.964 29.752 28.738 0.082 0.000 1.312 508 Q HN 0.608 nan 8.270 nan 0.000 0.497 509 M N 3.877 123.460 119.600 -0.028 0.000 2.342 509 M HA 0.464 4.944 4.480 -0.000 0.000 0.332 509 M C -2.143 174.114 176.300 -0.072 0.000 1.166 509 M CA -2.566 52.702 55.300 -0.053 0.000 1.086 509 M CB 0.367 32.936 32.600 -0.052 0.000 1.541 509 M HN 0.304 nan 8.290 nan 0.000 0.462 510 P HA 0.306 nan 4.420 nan 0.000 0.281 510 P C -0.869 176.368 177.300 -0.105 0.000 1.264 510 P CA -0.347 62.686 63.100 -0.112 0.000 0.824 510 P CB 0.834 32.449 31.700 -0.142 0.000 1.092 511 S N 0.264 115.892 115.700 -0.119 0.000 2.738 511 S HA 0.620 5.090 4.470 -0.000 0.000 0.284 511 S C -0.305 174.224 174.600 -0.118 0.000 1.146 511 S CA -0.702 57.441 58.200 -0.094 0.000 0.997 511 S CB 1.254 64.399 63.200 -0.092 0.000 1.081 511 S HN 0.594 nan 8.310 nan 0.000 0.553 512 K N 0.164 120.518 120.400 -0.077 0.000 2.513 512 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 512 K C -1.681 174.897 176.600 -0.037 0.000 0.939 512 K CA -0.516 55.731 56.287 -0.066 0.000 0.793 512 K CB 1.688 34.171 32.500 -0.029 0.000 1.241 512 K HN 0.679 nan 8.250 nan 0.000 0.431 513 K N 4.269 124.648 120.400 -0.035 0.000 2.182 513 K HA 0.393 4.713 4.320 -0.000 0.000 0.262 513 K C -1.521 175.089 176.600 0.017 0.000 0.957 513 K CA -0.869 55.415 56.287 -0.004 0.000 0.842 513 K CB 1.106 33.604 32.500 -0.003 0.000 1.099 513 K HN 0.475 nan 8.250 nan 0.000 0.438 514 L N 4.403 125.644 121.223 0.029 0.000 2.417 514 L HA 0.432 4.772 4.340 -0.000 0.000 0.259 514 L C -1.596 175.361 176.870 0.145 0.000 1.023 514 L CA -0.049 54.837 54.840 0.078 0.000 0.901 514 L CB 0.992 43.128 42.059 0.128 0.000 1.227 514 L HN 0.680 nan 8.230 nan 0.000 0.454 515 D N 2.584 122.900 120.400 -0.141 0.000 2.570 515 D HA 0.475 5.115 4.640 -0.000 0.000 0.244 515 D C -1.161 174.854 176.300 -0.474 0.000 1.178 515 D CA -0.253 53.633 54.000 -0.191 0.000 0.881 515 D CB 1.830 42.480 40.800 -0.251 0.000 1.453 515 D HN 0.118 nan 8.370 nan 0.000 0.447 516 F N 0.319 119.899 119.950 -0.617 0.000 2.557 516 F HA 0.745 5.272 4.527 -0.000 0.000 0.336 516 F C -0.229 175.544 175.800 -0.045 0.000 1.058 516 F CA -1.130 56.592 58.000 -0.463 0.000 0.988 516 F CB 0.612 38.908 39.000 -1.173 0.000 1.275 516 F HN 0.301 nan 8.300 nan 0.000 0.488 517 I N -0.187 120.545 120.570 0.270 0.000 2.846 517 I HA 0.652 4.822 4.170 -0.000 0.000 0.307 517 I C -1.360 174.959 176.117 0.337 0.000 1.053 517 I CA -1.203 60.235 61.300 0.229 0.000 1.050 517 I CB 2.443 40.639 38.000 0.327 0.000 1.239 517 I HN 0.621 nan 8.210 nan 0.000 0.439 518 I N 5.138 125.853 120.570 0.243 0.000 2.354 518 I HA 0.402 4.571 4.170 -0.000 0.000 0.286 518 I C -0.754 175.509 176.117 0.243 0.000 1.007 518 I CA -0.431 61.025 61.300 0.260 0.000 1.167 518 I CB 1.478 39.592 38.000 0.190 0.000 1.320 518 I HN 0.382 nan 8.210 nan 0.000 0.458 519 L N 6.264 127.706 121.223 0.366 0.000 2.313 519 L HA 0.417 4.757 4.340 -0.000 0.000 0.283 519 L C 0.148 177.194 176.870 0.293 0.000 1.013 519 L CA -0.660 54.355 54.840 0.292 0.000 0.816 519 L CB 1.263 43.494 42.059 0.286 0.000 1.236 519 L HN 0.622 nan 8.230 nan 0.000 0.419 520 N N 2.725 121.524 118.700 0.165 0.000 2.727 520 N HA -0.207 4.532 4.740 -0.000 0.000 0.251 520 N C 0.505 176.075 175.510 0.099 0.000 1.040 520 N CA 1.154 54.279 53.050 0.125 0.000 0.712 520 N CB -0.683 37.888 38.487 0.141 0.000 0.912 520 N HN 0.834 nan 8.380 nan 0.000 0.545 521 E N -3.048 117.199 120.200 0.077 0.000 3.449 521 E HA -0.322 4.028 4.350 -0.000 0.000 0.289 521 E C -0.297 176.311 176.600 0.014 0.000 0.870 521 E CA 1.670 58.096 56.400 0.044 0.000 0.946 521 E CB -1.175 28.541 29.700 0.027 0.000 1.476 521 E HN 0.761 nan 8.360 nan 0.000 0.466 522 T N -0.990 113.572 114.554 0.013 0.000 2.856 522 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 522 T C -0.331 174.237 174.700 -0.220 0.000 1.008 522 T CA -0.989 61.026 62.100 -0.141 0.000 0.997 522 T CB 2.004 70.744 68.868 -0.215 0.000 0.992 522 T HN 0.209 nan 8.240 nan 0.000 0.454 523 K N 1.967 122.168 120.400 -0.331 0.000 2.211 523 K HA 0.595 4.915 4.320 -0.000 0.000 0.275 523 K C -1.502 174.821 176.600 -0.461 0.000 1.024 523 K CA -0.802 55.330 56.287 -0.259 0.000 0.887 523 K CB 0.721 33.001 32.500 -0.366 0.000 1.084 523 K HN 0.486 nan 8.250 nan 0.000 0.463 524 F N 2.262 122.250 119.950 0.063 0.000 2.458 524 F HA 0.406 4.932 4.527 -0.001 0.000 0.336 524 F C -0.405 175.429 175.800 0.056 0.000 1.114 524 F CA -0.667 57.349 58.000 0.027 0.000 0.987 524 F CB 0.953 39.926 39.000 -0.045 0.000 1.130 524 F HN 0.519 nan 8.300 nan 0.000 0.458 525 W N 3.006 124.402 121.300 0.161 0.000 2.332 525 W HA 0.535 5.195 4.660 -0.000 0.000 0.351 525 W C -0.528 176.141 176.519 0.250 0.000 1.195 525 W CA -0.363 57.106 57.345 0.207 0.000 1.334 525 W CB 0.660 30.189 29.460 0.117 0.000 1.206 525 W HN 0.480 nan 8.180 nan 0.000 0.637 526 Y N -1.153 119.485 120.300 0.563 0.000 2.853 526 Y HA 0.640 5.190 4.550 -0.000 0.000 0.326 526 Y C -1.470 174.669 175.900 0.397 0.000 1.384 526 Y CA -1.968 56.448 58.100 0.527 0.000 1.077 526 Y CB 1.024 39.966 38.460 0.804 0.000 1.395 526 Y HN 0.539 nan 8.280 nan 0.000 0.451 527 Q N 1.337 121.520 119.800 0.639 0.000 2.386 527 Q HA 0.691 5.031 4.340 -0.000 0.000 0.274 527 Q C -2.081 174.094 176.000 0.292 0.000 1.011 527 Q CA -1.044 54.967 55.803 0.346 0.000 0.867 527 Q CB 3.001 31.862 28.738 0.204 0.000 1.409 527 Q HN 0.814 nan 8.270 nan 0.000 0.395 528 M N 2.523 122.203 119.600 0.133 0.000 2.395 528 M HA 0.502 4.982 4.480 -0.000 0.000 0.307 528 M C -0.998 175.231 176.300 -0.117 0.000 1.091 528 M CA -1.032 54.234 55.300 -0.056 0.000 0.919 528 M CB 2.200 34.684 32.600 -0.193 0.000 1.662 528 M HN 0.589 nan 8.290 nan 0.000 0.440 529 I N 4.949 125.438 120.570 -0.136 0.000 2.310 529 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 529 I C -0.356 175.608 176.117 -0.254 0.000 1.073 529 I CA -0.268 60.936 61.300 -0.161 0.000 1.216 529 I CB -0.106 37.823 38.000 -0.118 0.000 1.415 529 I HN 0.630 nan 8.210 nan 0.000 0.480 530 L N 7.831 128.838 121.223 -0.359 0.000 2.349 530 L HA 0.350 4.689 4.340 -0.000 0.000 0.275 530 L C -2.143 174.533 176.870 -0.323 0.000 1.115 530 L CA -1.678 52.826 54.840 -0.560 0.000 0.820 530 L CB 0.270 41.807 42.059 -0.870 0.000 1.135 530 L HN 0.200 nan 8.230 nan 0.000 0.445 531 P HA 0.151 nan 4.420 nan 0.000 0.272 531 P C -2.394 174.932 177.300 0.043 0.000 1.223 531 P CA -0.965 62.130 63.100 -0.008 0.000 0.784 531 P CB 0.110 31.920 31.700 0.183 0.000 0.923 532 P HA -0.075 nan 4.420 nan 0.000 0.271 532 P C -0.397 176.952 177.300 0.081 0.000 1.233 532 P CA 0.484 63.564 63.100 -0.034 0.000 0.795 532 P CB -0.306 31.373 31.700 -0.035 0.000 0.936 533 H N -2.757 116.378 119.070 0.108 0.000 2.529 533 H HA -0.228 4.328 4.556 -0.000 0.000 0.319 533 H C 0.146 175.586 175.328 0.187 0.000 1.072 533 H CA -0.138 55.978 56.048 0.113 0.000 1.126 533 H CB -2.000 27.815 29.762 0.088 0.000 1.474 533 H HN 0.240 nan 8.280 nan 0.000 0.406 534 F N 1.802 121.774 119.950 0.037 0.000 2.607 534 F HA 0.169 4.695 4.527 -0.000 0.000 0.374 534 F C 0.482 176.280 175.800 -0.002 0.000 1.104 534 F CA -0.389 57.584 58.000 -0.045 0.000 1.296 534 F CB 0.579 39.433 39.000 -0.243 0.000 1.085 534 F HN 0.264 nan 8.300 nan 0.000 0.584 535 D N 5.493 125.551 120.400 -0.569 0.000 2.473 535 D HA 0.146 4.786 4.640 -0.000 0.000 0.253 535 D C 0.483 176.301 176.300 -0.804 0.000 1.233 535 D CA -0.490 53.228 54.000 -0.471 0.000 0.908 535 D CB 1.048 41.827 40.800 -0.034 0.000 1.170 535 D HN 0.668 nan 8.370 nan 0.000 0.558 536 K N 1.077 120.949 120.400 -0.879 0.000 2.442 536 K HA -0.116 4.203 4.320 -0.000 0.000 0.198 536 K C 1.256 177.802 176.600 -0.090 0.000 1.044 536 K CA 1.027 57.019 56.287 -0.492 0.000 0.948 536 K CB -0.089 32.299 32.500 -0.187 0.000 0.762 536 K HN 0.223 nan 8.250 nan 0.000 0.472 537 S N 0.417 116.064 115.700 -0.089 0.000 2.453 537 S HA -0.039 4.430 4.470 -0.000 0.000 0.231 537 S C 0.664 175.294 174.600 0.050 0.000 1.005 537 S CA 0.066 58.264 58.200 -0.004 0.000 0.949 537 S CB -0.092 63.099 63.200 -0.016 0.000 0.774 537 S HN 0.292 nan 8.310 nan 0.000 0.510 538 K N 0.666 121.136 120.400 0.117 0.000 2.419 538 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 538 K C -0.592 176.170 176.600 0.271 0.000 1.037 538 K CA -0.901 55.481 56.287 0.158 0.000 0.982 538 K CB 0.412 32.986 32.500 0.123 0.000 1.283 538 K HN -0.073 nan 8.250 nan 0.000 0.500 539 K N 1.779 122.287 120.400 0.179 0.000 2.425 539 K HA 0.278 4.598 4.320 -0.000 0.000 0.259 539 K C -1.049 175.654 176.600 0.171 0.000 0.978 539 K CA -0.264 56.145 56.287 0.202 0.000 0.883 539 K CB 0.713 33.253 32.500 0.067 0.000 1.110 539 K HN 0.507 nan 8.250 nan 0.000 0.436 540 Y N 3.248 123.605 120.300 0.095 0.000 2.352 540 Y HA 0.245 4.795 4.550 -0.000 0.000 0.326 540 Y C -1.600 174.265 175.900 -0.058 0.000 1.166 540 Y CA -2.112 56.020 58.100 0.053 0.000 1.182 540 Y CB 1.147 39.697 38.460 0.150 0.000 1.216 540 Y HN 0.401 nan 8.280 nan 0.000 0.474 541 P HA 0.173 nan 4.420 nan 0.000 0.277 541 P C -1.259 175.924 177.300 -0.194 0.000 1.240 541 P CA -0.235 62.625 63.100 -0.401 0.000 0.798 541 P CB 1.822 33.042 31.700 -0.799 0.000 0.979 542 L N 2.863 123.980 121.223 -0.177 0.000 2.385 542 L HA 0.537 4.876 4.340 -0.000 0.000 0.273 542 L C -1.287 175.745 176.870 0.270 0.000 0.990 542 L CA -1.119 53.763 54.840 0.069 0.000 0.821 542 L CB 1.876 43.985 42.059 0.084 0.000 1.279 542 L HN 0.164 nan 8.230 nan 0.000 0.412 543 L N 5.847 127.267 121.223 0.327 0.000 2.318 543 L HA 0.458 4.798 4.340 -0.000 0.000 0.277 543 L C -1.184 175.933 176.870 0.412 0.000 1.008 543 L CA -0.435 54.678 54.840 0.454 0.000 0.846 543 L CB 1.415 43.742 42.059 0.446 0.000 1.220 543 L HN 0.633 nan 8.230 nan 0.000 0.423 544 L N 5.041 126.537 121.223 0.456 0.000 2.433 544 L HA 0.299 4.639 4.340 -0.000 0.000 0.284 544 L C -0.045 177.042 176.870 0.363 0.000 1.120 544 L CA 0.520 55.610 54.840 0.417 0.000 0.879 544 L CB -0.105 42.245 42.059 0.485 0.000 1.232 544 L HN 0.610 nan 8.230 nan 0.000 0.454 545 D N 3.911 124.507 120.400 0.327 0.000 2.351 545 D HA 0.253 4.893 4.640 -0.000 0.000 0.251 545 D C -1.021 175.365 176.300 0.144 0.000 1.137 545 D CA 0.156 54.276 54.000 0.200 0.000 0.879 545 D CB 1.425 42.401 40.800 0.293 0.000 1.181 545 D HN 0.409 nan 8.370 nan 0.000 0.448 546 V N 5.647 125.566 119.914 0.009 0.000 2.777 546 V HA 0.269 4.389 4.120 -0.000 0.000 0.306 546 V C -1.192 174.980 176.094 0.129 0.000 1.112 546 V CA -0.566 61.803 62.300 0.116 0.000 0.917 546 V CB 1.698 33.598 31.823 0.128 0.000 1.018 546 V HN 0.677 nan 8.190 nan 0.000 0.426 547 Y N 5.998 126.360 120.300 0.103 0.000 2.569 547 Y HA 0.525 5.075 4.550 -0.000 0.000 0.278 547 Y C 1.842 177.853 175.900 0.186 0.000 1.130 547 Y CA 1.680 59.857 58.100 0.128 0.000 1.280 547 Y CB 0.590 39.111 38.460 0.101 0.000 1.379 547 Y HN 1.276 nan 8.280 nan 0.000 0.508 548 A N 0.341 123.215 122.820 0.090 0.000 3.661 548 A HA -0.231 4.089 4.320 -0.000 0.000 0.269 548 A C 1.227 178.639 177.584 -0.287 0.000 1.056 548 A CA 0.923 52.970 52.037 0.016 0.000 1.159 548 A CB -2.788 16.293 19.000 0.135 0.000 1.105 548 A HN 0.919 nan 8.150 nan 0.000 0.907 549 G N -0.226 108.094 108.800 -0.799 0.000 2.559 549 G HA2 0.393 4.352 3.960 -0.000 0.000 0.235 549 G HA3 0.393 4.352 3.960 -0.000 0.000 0.235 549 G C -1.919 172.748 174.900 -0.388 0.000 1.266 549 G CA 0.003 44.443 45.100 -1.100 0.000 0.847 549 G HN 0.372 nan 8.290 nan 0.000 0.583 550 P HA -0.021 nan 4.420 nan 0.000 0.263 550 P C 0.701 177.926 177.300 -0.124 0.000 1.168 550 P CA 0.263 63.195 63.100 -0.279 0.000 0.759 550 P CB 0.465 31.754 31.700 -0.686 0.000 0.782 551 C N 2.606 121.878 119.300 -0.047 0.000 4.167 551 C HA -0.103 4.356 4.460 -0.000 0.000 0.302 551 C C 0.626 175.638 174.990 0.037 0.000 1.384 551 C CA 0.978 59.910 59.018 -0.145 0.000 2.041 551 C CB -2.783 24.738 27.740 -0.366 0.000 1.303 551 C HN 0.768 nan 8.230 nan 0.000 0.718 552 S N 0.670 116.454 115.700 0.139 0.000 2.621 552 S HA 0.752 5.222 4.470 -0.000 0.000 0.302 552 S C -0.923 173.862 174.600 0.308 0.000 1.093 552 S CA -0.285 58.092 58.200 0.294 0.000 1.017 552 S CB 1.979 65.397 63.200 0.362 0.000 1.077 552 S HN 0.855 nan 8.310 nan 0.000 0.517 553 Q N 0.598 120.605 119.800 0.344 0.000 2.269 553 Q HA 0.424 4.763 4.340 -0.000 0.000 0.263 553 Q C -0.751 175.388 176.000 0.232 0.000 0.983 553 Q CA -0.661 55.323 55.803 0.303 0.000 0.777 553 Q CB 1.152 30.101 28.738 0.353 0.000 1.273 553 Q HN 0.716 nan 8.270 nan 0.000 0.440 554 K N 1.092 121.629 120.400 0.229 0.000 2.373 554 K HA 0.344 4.664 4.320 -0.000 0.000 0.200 554 K C -0.423 176.299 176.600 0.203 0.000 1.054 554 K CA 0.206 56.620 56.287 0.212 0.000 1.065 554 K CB 1.613 34.267 32.500 0.258 0.000 0.886 554 K HN 0.494 nan 8.250 nan 0.000 0.546 555 A N 2.742 125.687 122.820 0.208 0.000 2.258 555 A HA 0.501 4.820 4.320 -0.000 0.000 0.316 555 A C -1.051 176.607 177.584 0.123 0.000 1.279 555 A CA -0.467 51.690 52.037 0.199 0.000 0.876 555 A CB 0.227 19.391 19.000 0.272 0.000 1.170 555 A HN 0.244 nan 8.150 nan 0.000 0.520 556 D N -0.110 120.347 120.400 0.095 0.000 2.623 556 D HA 0.303 4.942 4.640 -0.000 0.000 0.241 556 D C 0.304 176.642 176.300 0.063 0.000 1.241 556 D CA 0.119 54.173 54.000 0.091 0.000 0.788 556 D CB 0.328 41.191 40.800 0.105 0.000 1.413 556 D HN 0.221 nan 8.370 nan 0.000 0.429 557 T N -2.030 112.595 114.554 0.118 0.000 3.284 557 T HA 0.174 4.524 4.350 -0.000 0.000 0.252 557 T C 0.648 175.357 174.700 0.015 0.000 1.144 557 T CA -0.254 61.900 62.100 0.089 0.000 1.021 557 T CB -0.711 68.235 68.868 0.130 0.000 0.984 557 T HN 0.304 nan 8.240 nan 0.000 0.545 558 V N 2.362 122.199 119.914 -0.128 0.000 2.555 558 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 558 V C 0.110 176.172 176.094 -0.054 0.000 1.044 558 V CA -0.986 61.175 62.300 -0.231 0.000 1.026 558 V CB -0.008 31.546 31.823 -0.449 0.000 0.981 558 V HN 0.521 nan 8.190 nan 0.000 0.480 559 F N 6.515 126.376 119.950 -0.148 0.000 2.424 559 F HA 0.561 5.088 4.527 -0.000 0.000 0.356 559 F C 0.493 176.244 175.800 -0.082 0.000 1.110 559 F CA -0.234 57.707 58.000 -0.099 0.000 1.161 559 F CB 0.293 39.243 39.000 -0.084 0.000 1.115 559 F HN 0.421 nan 8.300 nan 0.000 0.507 560 R N 6.614 126.713 120.500 -0.668 0.000 2.628 560 R HA 0.525 4.865 4.340 -0.000 0.000 0.288 560 R C -1.571 174.331 176.300 -0.663 0.000 0.980 560 R CA -1.028 54.778 56.100 -0.491 0.000 0.891 560 R CB 2.133 32.295 30.300 -0.230 0.000 1.188 560 R HN 0.670 nan 8.270 nan 0.000 0.450 561 L N 4.577 125.565 121.223 -0.391 0.000 2.313 561 L HA 0.376 4.716 4.340 -0.000 0.000 0.273 561 L C -0.693 176.157 176.870 -0.035 0.000 1.028 561 L CA -0.571 54.095 54.840 -0.291 0.000 0.871 561 L CB 0.348 42.379 42.059 -0.047 0.000 1.242 561 L HN 0.752 nan 8.230 nan 0.000 0.434 562 N N 0.001 118.595 118.700 -0.177 0.000 3.479 562 N HA 0.157 4.897 4.740 -0.000 0.000 0.336 562 N C 0.236 175.332 175.510 -0.689 0.000 1.623 562 N CA -0.894 51.961 53.050 -0.324 0.000 0.759 562 N CB 0.075 38.515 38.487 -0.079 0.000 2.016 562 N HN 0.238 nan 8.380 nan 0.000 0.637 563 W N 0.676 121.312 121.300 -1.107 0.000 2.325 563 W HA 0.035 4.695 4.660 -0.000 0.000 0.299 563 W C 2.045 178.487 176.519 -0.129 0.000 1.215 563 W CA 2.991 59.953 57.345 -0.638 0.000 1.244 563 W CB -0.868 28.442 29.460 -0.249 0.000 1.140 563 W HN 0.697 nan 8.180 nan 0.000 0.523 564 A N -1.036 121.747 122.820 -0.062 0.000 1.969 564 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 564 A C 1.929 179.390 177.584 -0.204 0.000 1.169 564 A CA 2.234 54.192 52.037 -0.133 0.000 0.635 564 A CB -1.221 17.780 19.000 0.002 0.000 0.810 564 A HN 0.263 nan 8.150 nan 0.000 0.445 565 T N -1.261 113.163 114.554 -0.217 0.000 2.788 565 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 565 T C 1.772 176.436 174.700 -0.061 0.000 1.044 565 T CA 1.732 63.660 62.100 -0.287 0.000 1.139 565 T CB -0.400 68.065 68.868 -0.672 0.000 0.867 565 T HN 0.717 nan 8.240 nan 0.000 0.454 566 Y N 1.669 121.984 120.300 0.026 0.000 2.184 566 Y HA 0.101 4.651 4.550 -0.000 0.000 0.290 566 Y C 1.912 177.765 175.900 -0.079 0.000 1.129 566 Y CA 0.709 58.888 58.100 0.133 0.000 1.144 566 Y CB -0.730 37.779 38.460 0.083 0.000 0.995 566 Y HN 0.085 nan 8.280 nan 0.000 0.513 567 L N 0.488 121.210 121.223 -0.835 0.000 2.012 567 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 567 L C 2.850 179.443 176.870 -0.461 0.000 1.073 567 L CA 1.598 55.905 54.840 -0.889 0.000 0.748 567 L CB -1.007 40.615 42.059 -0.728 0.000 0.891 567 L HN 0.427 nan 8.230 nan 0.000 0.431 568 A N -1.338 121.307 122.820 -0.290 0.000 1.854 568 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 568 A C 2.506 180.026 177.584 -0.106 0.000 1.192 568 A CA 1.823 53.763 52.037 -0.163 0.000 0.611 568 A CB -0.807 18.101 19.000 -0.154 0.000 0.832 568 A HN 0.341 nan 8.150 nan 0.000 0.442 569 S N -1.369 114.281 115.700 -0.084 0.000 2.399 569 S HA -0.117 4.352 4.470 -0.000 0.000 0.231 569 S C 1.875 176.492 174.600 0.030 0.000 1.022 569 S CA 2.285 60.490 58.200 0.009 0.000 0.983 569 S CB -0.307 62.953 63.200 0.101 0.000 0.803 569 S HN 0.624 nan 8.310 nan 0.000 0.480 570 T N 0.642 115.171 114.554 -0.042 0.000 3.044 570 T HA 0.200 4.550 4.350 -0.000 0.000 0.237 570 T C 1.140 175.795 174.700 -0.075 0.000 1.001 570 T CA 0.261 62.353 62.100 -0.013 0.000 1.160 570 T CB -0.091 68.828 68.868 0.084 0.000 0.889 570 T HN 0.212 nan 8.240 nan 0.000 0.442 571 E N 1.773 121.838 120.200 -0.226 0.000 2.437 571 E HA 0.170 4.520 4.350 -0.000 0.000 0.189 571 E C -0.362 176.193 176.600 -0.076 0.000 1.054 571 E CA -0.180 56.129 56.400 -0.151 0.000 0.874 571 E CB -0.711 28.844 29.700 -0.241 0.000 1.011 571 E HN 0.439 nan 8.360 nan 0.000 0.474 572 N N 1.021 119.692 118.700 -0.049 0.000 2.691 572 N HA -0.211 4.528 4.740 -0.000 0.000 0.277 572 N C -0.985 174.553 175.510 0.046 0.000 1.029 572 N CA 0.570 53.633 53.050 0.023 0.000 0.798 572 N CB -0.964 37.513 38.487 -0.017 0.000 0.922 572 N HN 0.269 nan 8.380 nan 0.000 0.562 573 I N 0.938 121.529 120.570 0.034 0.000 2.466 573 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 573 I C 0.210 176.345 176.117 0.030 0.000 1.026 573 I CA -0.840 60.496 61.300 0.060 0.000 1.078 573 I CB 1.657 39.700 38.000 0.071 0.000 1.249 573 I HN 0.089 nan 8.210 nan 0.000 0.429 574 I N 6.714 127.311 120.570 0.045 0.000 2.347 574 I HA 0.121 4.291 4.170 -0.000 0.000 0.294 574 I C -0.090 176.006 176.117 -0.034 0.000 1.090 574 I CA -0.253 60.998 61.300 -0.081 0.000 1.314 574 I CB 0.547 38.472 38.000 -0.125 0.000 1.423 574 I HN 0.228 nan 8.210 nan 0.000 0.503 575 V N 6.283 126.169 119.914 -0.047 0.000 2.567 575 V HA 0.772 4.892 4.120 -0.000 0.000 0.289 575 V C 0.404 176.506 176.094 0.014 0.000 1.049 575 V CA -0.402 61.924 62.300 0.043 0.000 0.969 575 V CB 1.321 33.177 31.823 0.056 0.000 0.995 575 V HN 0.847 nan 8.190 nan 0.000 0.471 576 A N 3.259 126.131 122.820 0.087 0.000 2.594 576 A HA 0.866 5.186 4.320 -0.000 0.000 0.295 576 A C -0.646 177.085 177.584 0.244 0.000 1.071 576 A CA -0.490 51.586 52.037 0.066 0.000 0.685 576 A CB 2.051 20.908 19.000 -0.239 0.000 1.285 576 A HN 0.680 nan 8.150 nan 0.000 0.405 577 S N -0.530 115.371 115.700 0.335 0.000 2.667 577 S HA 0.904 5.374 4.470 -0.000 0.000 0.292 577 S C -1.547 173.454 174.600 0.668 0.000 1.126 577 S CA -0.343 58.119 58.200 0.436 0.000 0.881 577 S CB 1.544 64.944 63.200 0.332 0.000 1.132 577 S HN 1.197 nan 8.310 nan 0.000 0.492 578 F N 1.581 121.780 119.950 0.416 0.000 2.651 578 F HA 0.326 4.853 4.527 -0.000 0.000 0.329 578 F C -1.827 174.184 175.800 0.351 0.000 1.186 578 F CA -0.591 57.675 58.000 0.443 0.000 1.046 578 F CB 1.245 40.462 39.000 0.363 0.000 1.296 578 F HN 0.402 nan 8.300 nan 0.000 0.497 579 D N 5.172 125.545 120.400 -0.045 0.000 2.441 579 D HA 0.349 4.989 4.640 -0.000 0.000 0.221 579 D C 0.435 176.629 176.300 -0.176 0.000 1.156 579 D CA 0.258 54.267 54.000 0.015 0.000 0.896 579 D CB 1.516 42.406 40.800 0.149 0.000 1.028 579 D HN 0.743 nan 8.370 nan 0.000 0.509 580 G N 1.402 110.185 108.800 -0.028 0.000 2.945 580 G HA2 0.213 4.173 3.960 -0.000 0.000 0.156 580 G HA3 0.213 4.173 3.960 -0.000 0.000 0.156 580 G C 0.088 175.094 174.900 0.177 0.000 1.375 580 G CA -0.718 44.377 45.100 -0.009 0.000 1.039 580 G HN 0.290 nan 8.290 nan 0.000 0.586 581 R N 0.117 120.675 120.500 0.096 0.000 2.446 581 R HA 0.381 4.721 4.340 -0.000 0.000 0.314 581 R C 1.006 177.423 176.300 0.195 0.000 1.003 581 R CA 1.329 57.537 56.100 0.181 0.000 1.018 581 R CB 0.240 30.591 30.300 0.086 0.000 0.945 581 R HN 0.969 nan 8.270 nan 0.000 0.419 582 G N 1.588 110.498 108.800 0.183 0.000 2.284 582 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.201 582 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.201 582 G C 0.236 175.204 174.900 0.112 0.000 0.998 582 G CA 0.011 45.207 45.100 0.160 0.000 0.651 582 G HN 0.674 nan 8.290 nan 0.000 0.489 583 S N 0.091 115.868 115.700 0.128 0.000 2.612 583 S HA 0.655 5.125 4.470 -0.000 0.000 0.253 583 S C 0.888 175.507 174.600 0.032 0.000 1.346 583 S CA 0.592 58.860 58.200 0.114 0.000 0.976 583 S CB 1.422 64.721 63.200 0.165 0.000 0.949 583 S HN 1.720 nan 8.310 nan 0.000 0.584 584 G N -2.072 106.714 108.800 -0.023 0.000 3.108 584 G HA2 0.516 4.476 3.960 -0.000 0.000 0.268 584 G HA3 0.516 4.476 3.960 -0.000 0.000 0.268 584 G C -1.294 173.513 174.900 -0.155 0.000 1.361 584 G CA -1.080 43.843 45.100 -0.294 0.000 1.047 584 G HN 0.887 nan 8.290 nan 0.000 0.540 585 Y N -1.651 118.672 120.300 0.038 0.000 3.389 585 Y HA -0.192 4.358 4.550 -0.000 0.000 0.213 585 Y C 0.909 176.827 175.900 0.030 0.000 1.272 585 Y CA 0.966 59.087 58.100 0.035 0.000 1.444 585 Y CB -2.298 36.192 38.460 0.051 0.000 1.445 585 Y HN 0.528 nan 8.280 nan 0.000 0.583 586 Q N -0.550 119.282 119.800 0.054 0.000 2.052 586 Q HA 0.462 4.802 4.340 -0.000 0.000 0.250 586 Q C 0.791 176.715 176.000 -0.126 0.000 0.851 586 Q CA 0.075 55.916 55.803 0.063 0.000 1.029 586 Q CB 1.303 30.069 28.738 0.046 0.000 1.274 586 Q HN 0.754 nan 8.270 nan 0.000 0.411 587 G N 0.774 109.384 108.800 -0.316 0.000 2.781 587 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.683 587 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.683 587 G C -0.326 174.209 174.900 -0.608 0.000 1.390 587 G CA -0.333 44.226 45.100 -0.902 0.000 0.850 587 G HN 0.215 nan 8.290 nan 0.000 0.557 588 D N -0.275 119.726 120.400 -0.665 0.000 2.333 588 D HA 0.020 4.660 4.640 -0.000 0.000 0.208 588 D C 2.205 178.196 176.300 -0.516 0.000 0.984 588 D CA 1.051 54.618 54.000 -0.722 0.000 0.873 588 D CB 0.166 40.465 40.800 -0.834 0.000 0.935 588 D HN 0.527 nan 8.370 nan 0.000 0.521 589 K N 0.767 120.936 120.400 -0.384 0.000 2.026 589 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 589 K C 2.006 178.526 176.600 -0.134 0.000 1.048 589 K CA 0.927 57.084 56.287 -0.217 0.000 0.929 589 K CB -0.142 32.248 32.500 -0.183 0.000 0.713 589 K HN 0.036 nan 8.250 nan 0.000 0.439 590 I N 0.316 120.803 120.570 -0.138 0.000 2.353 590 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 590 I C 2.502 178.625 176.117 0.010 0.000 1.119 590 I CA 1.018 62.308 61.300 -0.017 0.000 1.417 590 I CB -0.021 37.980 38.000 0.000 0.000 1.078 590 I HN 0.385 nan 8.210 nan 0.000 0.421 591 M N -0.341 119.204 119.600 -0.091 0.000 2.200 591 M HA -0.191 4.289 4.480 -0.000 0.000 0.265 591 M C 1.825 178.212 176.300 0.146 0.000 1.066 591 M CA 1.838 57.129 55.300 -0.016 0.000 1.127 591 M CB -0.234 32.276 32.600 -0.151 0.000 1.379 591 M HN 0.245 nan 8.290 nan 0.000 0.420 592 H N -0.549 118.444 119.070 -0.129 0.000 2.547 592 H HA 0.175 4.730 4.556 -0.000 0.000 0.266 592 H C 1.914 177.271 175.328 0.048 0.000 0.988 592 H CA 0.128 56.099 56.048 -0.129 0.000 1.147 592 H CB 0.219 29.804 29.762 -0.294 0.000 1.365 592 H HN 0.535 nan 8.280 nan 0.000 0.589 593 A N 1.687 124.617 122.820 0.183 0.000 1.948 593 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 593 A C 2.050 179.833 177.584 0.331 0.000 1.177 593 A CA 1.387 53.528 52.037 0.173 0.000 0.636 593 A CB -0.691 18.353 19.000 0.075 0.000 0.815 593 A HN 0.572 nan 8.150 nan 0.000 0.449 594 I N -2.834 117.942 120.570 0.345 0.000 3.855 594 I HA 0.177 4.347 4.170 -0.000 0.000 0.327 594 I C 0.340 176.597 176.117 0.234 0.000 1.359 594 I CA -0.439 61.047 61.300 0.310 0.000 1.142 594 I CB -0.764 37.389 38.000 0.255 0.000 1.041 594 I HN 0.269 nan 8.210 nan 0.000 0.403 595 N N 2.865 121.733 118.700 0.282 0.000 2.411 595 N HA -0.024 4.716 4.740 -0.000 0.000 0.261 595 N C 0.213 175.793 175.510 0.116 0.000 1.248 595 N CA 0.053 53.270 53.050 0.277 0.000 0.885 595 N CB 0.294 38.896 38.487 0.192 0.000 1.062 595 N HN 0.406 nan 8.380 nan 0.000 0.471 596 R N 0.456 120.996 120.500 0.066 0.000 3.954 596 R HA -0.174 4.165 4.340 -0.000 0.000 0.422 596 R C -0.461 175.803 176.300 -0.060 0.000 1.091 596 R CA 0.741 56.844 56.100 0.006 0.000 1.168 596 R CB -1.031 29.277 30.300 0.013 0.000 1.752 596 R HN 0.571 nan 8.270 nan 0.000 0.547 597 R N 0.940 121.403 120.500 -0.062 0.000 2.782 597 R HA 0.389 4.728 4.340 -0.000 0.000 0.293 597 R C -0.624 175.734 176.300 0.097 0.000 1.333 597 R CA -0.180 55.809 56.100 -0.186 0.000 1.479 597 R CB 0.585 30.710 30.300 -0.292 0.000 1.306 597 R HN 0.072 nan 8.270 nan 0.000 0.654 598 L N -0.303 121.005 121.223 0.141 0.000 2.397 598 L HA 0.372 4.711 4.340 -0.000 0.000 0.271 598 L C 1.131 178.180 176.870 0.298 0.000 1.148 598 L CA 0.381 55.272 54.840 0.085 0.000 0.825 598 L CB 1.156 42.976 42.059 -0.398 0.000 1.117 598 L HN 0.751 nan 8.230 nan 0.000 0.456 599 G N 1.180 110.193 108.800 0.356 0.000 2.137 599 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 599 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 599 G C 0.412 175.366 174.900 0.090 0.000 1.002 599 G CA 0.521 45.765 45.100 0.240 0.000 0.702 599 G HN 0.807 nan 8.290 nan 0.000 0.515 600 T N -4.087 110.503 114.554 0.060 0.000 3.431 600 T HA 0.420 4.769 4.350 -0.000 0.000 0.207 600 T C 1.650 176.288 174.700 -0.104 0.000 0.979 600 T CA 0.938 62.973 62.100 -0.108 0.000 1.141 600 T CB 0.036 68.711 68.868 -0.321 0.000 1.278 600 T HN 0.118 nan 8.240 nan 0.000 0.334 601 F N 3.411 123.409 119.950 0.080 0.000 2.146 601 F HA 0.167 4.693 4.527 -0.000 0.000 0.298 601 F C 2.776 178.615 175.800 0.066 0.000 1.096 601 F CA 1.115 59.150 58.000 0.059 0.000 1.275 601 F CB -0.490 38.546 39.000 0.060 0.000 1.008 601 F HN 0.447 nan 8.300 nan 0.000 0.480 602 E N 0.487 120.848 120.200 0.269 0.000 2.268 602 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 602 E C 1.987 178.687 176.600 0.166 0.000 0.995 602 E CA 1.247 57.778 56.400 0.219 0.000 0.836 602 E CB -0.936 28.898 29.700 0.224 0.000 0.763 602 E HN 0.301 nan 8.360 nan 0.000 0.491 603 V N 1.215 121.198 119.914 0.116 0.000 2.379 603 V HA -0.126 3.993 4.120 -0.000 0.000 0.243 603 V C 2.335 178.446 176.094 0.028 0.000 1.035 603 V CA 1.633 63.952 62.300 0.032 0.000 1.035 603 V CB -0.464 31.332 31.823 -0.044 0.000 0.673 603 V HN 0.144 nan 8.190 nan 0.000 0.457 604 E N 0.316 120.550 120.200 0.056 0.000 2.038 604 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 604 E C 2.007 178.627 176.600 0.032 0.000 1.000 604 E CA 1.642 58.074 56.400 0.052 0.000 0.803 604 E CB -0.158 29.606 29.700 0.106 0.000 0.750 604 E HN 0.547 nan 8.360 nan 0.000 0.448 605 D N 0.169 120.605 120.400 0.060 0.000 2.149 605 D HA -0.182 4.458 4.640 -0.000 0.000 0.198 605 D C 1.982 178.224 176.300 -0.096 0.000 0.990 605 D CA 1.021 55.020 54.000 -0.002 0.000 0.839 605 D CB -0.147 40.699 40.800 0.076 0.000 0.948 605 D HN 0.058 nan 8.370 nan 0.000 0.460 606 Q N 0.282 120.089 119.800 0.013 0.000 2.119 606 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 606 Q C 2.230 178.218 176.000 -0.021 0.000 0.972 606 Q CA 0.649 56.455 55.803 0.006 0.000 0.847 606 Q CB -0.176 28.619 28.738 0.095 0.000 0.903 606 Q HN 0.359 nan 8.270 nan 0.000 0.433 607 I N -0.135 120.451 120.570 0.028 0.000 2.163 607 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 607 I C 2.128 178.203 176.117 -0.069 0.000 1.081 607 I CA 1.258 62.636 61.300 0.130 0.000 1.353 607 I CB -0.277 37.788 38.000 0.108 0.000 1.054 607 I HN 0.230 nan 8.210 nan 0.000 0.407 608 E N 1.512 121.617 120.200 -0.158 0.000 2.171 608 E HA -0.243 4.107 4.350 -0.000 0.000 0.197 608 E C 2.024 178.336 176.600 -0.480 0.000 0.997 608 E CA 1.738 57.984 56.400 -0.256 0.000 0.810 608 E CB -0.166 29.400 29.700 -0.224 0.000 0.738 608 E HN 0.447 nan 8.360 nan 0.000 0.467 609 A N 0.771 123.146 122.820 -0.742 0.000 1.877 609 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 609 A C 2.491 179.436 177.584 -1.065 0.000 1.186 609 A CA 2.363 53.630 52.037 -1.283 0.000 0.620 609 A CB -1.230 16.845 19.000 -1.541 0.000 0.822 609 A HN 0.403 nan 8.150 nan 0.000 0.443 610 A N 0.091 122.610 122.820 -0.500 0.000 1.873 610 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 610 A C 2.249 179.669 177.584 -0.273 0.000 1.193 610 A CA 1.841 53.726 52.037 -0.254 0.000 0.629 610 A CB -0.638 18.196 19.000 -0.276 0.000 0.826 610 A HN 0.580 nan 8.150 nan 0.000 0.447 611 R N -1.026 119.303 120.500 -0.286 0.000 2.094 611 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 611 R C 2.428 178.594 176.300 -0.224 0.000 1.137 611 R CA 1.563 57.531 56.100 -0.221 0.000 0.943 611 R CB -0.599 29.589 30.300 -0.187 0.000 0.850 611 R HN 0.585 nan 8.270 nan 0.000 0.433 612 Q N 0.347 119.955 119.800 -0.322 0.000 1.985 612 Q HA -0.157 4.183 4.340 -0.000 0.000 0.207 612 Q C 2.173 178.064 176.000 -0.181 0.000 0.996 612 Q CA 1.616 57.250 55.803 -0.282 0.000 0.851 612 Q CB -0.559 27.936 28.738 -0.405 0.000 0.921 612 Q HN 0.267 nan 8.270 nan 0.000 0.418 613 F N 1.239 121.051 119.950 -0.230 0.000 2.147 613 F HA -0.223 4.304 4.527 -0.000 0.000 0.301 613 F C 2.716 178.358 175.800 -0.263 0.000 1.084 613 F CA 1.451 59.313 58.000 -0.230 0.000 1.268 613 F CB -1.495 37.400 39.000 -0.175 0.000 1.009 613 F HN 0.166 nan 8.300 nan 0.000 0.486 614 S N -0.355 115.317 115.700 -0.047 0.000 2.406 614 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 614 S C 1.779 176.272 174.600 -0.179 0.000 1.020 614 S CA 0.573 58.700 58.200 -0.122 0.000 0.965 614 S CB -0.284 62.847 63.200 -0.115 0.000 0.798 614 S HN 0.180 nan 8.310 nan 0.000 0.488 615 K N 1.160 121.465 120.400 -0.158 0.000 2.555 615 K HA 0.213 4.533 4.320 -0.000 0.000 0.193 615 K C 1.454 177.939 176.600 -0.192 0.000 1.032 615 K CA 0.465 56.663 56.287 -0.147 0.000 1.004 615 K CB -0.556 31.878 32.500 -0.109 0.000 0.804 615 K HN 0.579 nan 8.250 nan 0.000 0.496 616 M N -0.790 118.616 119.600 -0.324 0.000 2.595 616 M HA 0.063 4.542 4.480 -0.000 0.000 0.248 616 M C 1.027 176.942 176.300 -0.641 0.000 1.119 616 M CA 0.743 55.746 55.300 -0.495 0.000 1.079 616 M CB 0.053 32.199 32.600 -0.756 0.000 1.472 616 M HN 0.313 nan 8.290 nan 0.000 0.501 617 G N 1.318 109.825 108.800 -0.489 0.000 2.162 617 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 617 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 617 G C 0.346 175.145 174.900 -0.167 0.000 0.976 617 G CA 0.576 45.508 45.100 -0.279 0.000 0.655 617 G HN 0.628 nan 8.290 nan 0.000 0.533 618 F N -0.775 119.211 119.950 0.060 0.000 2.688 618 F HA 0.696 5.223 4.527 -0.000 0.000 0.310 618 F C 0.276 176.172 175.800 0.160 0.000 1.098 618 F CA -1.525 56.536 58.000 0.101 0.000 1.228 618 F CB -0.095 38.968 39.000 0.104 0.000 1.042 618 F HN 0.073 nan 8.300 nan 0.000 0.557 619 V N 1.714 121.713 119.914 0.143 0.000 2.398 619 V HA 0.233 4.353 4.120 -0.000 0.000 0.286 619 V C -0.592 175.528 176.094 0.044 0.000 1.026 619 V CA -0.781 61.598 62.300 0.132 0.000 0.868 619 V CB 1.496 33.337 31.823 0.030 0.000 0.982 619 V HN 0.080 nan 8.190 nan 0.000 0.443 620 D N 3.974 124.393 120.400 0.032 0.000 2.338 620 D HA 0.078 4.717 4.640 -0.000 0.000 0.255 620 D C 1.038 177.302 176.300 -0.060 0.000 1.237 620 D CA -0.014 53.970 54.000 -0.027 0.000 0.883 620 D CB 0.649 41.410 40.800 -0.064 0.000 1.087 620 D HN 0.436 nan 8.370 nan 0.000 0.485 621 N N 3.223 121.888 118.700 -0.057 0.000 2.585 621 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 621 N C 0.852 176.323 175.510 -0.065 0.000 1.102 621 N CA 0.558 53.565 53.050 -0.073 0.000 0.920 621 N CB 0.268 38.713 38.487 -0.070 0.000 0.963 621 N HN 0.535 nan 8.380 nan 0.000 0.447 622 K N 0.168 120.535 120.400 -0.055 0.000 2.356 622 K HA 0.147 4.466 4.320 -0.000 0.000 0.195 622 K C 0.067 176.657 176.600 -0.016 0.000 1.037 622 K CA 0.332 56.600 56.287 -0.031 0.000 1.014 622 K CB 0.524 33.010 32.500 -0.024 0.000 0.815 622 K HN -0.032 nan 8.250 nan 0.000 0.507 623 R N 1.213 121.667 120.500 -0.077 0.000 2.547 623 R HA 0.360 4.700 4.340 -0.000 0.000 0.280 623 R C -1.125 175.089 176.300 -0.143 0.000 1.630 623 R CA -0.031 56.005 56.100 -0.107 0.000 1.470 623 R CB 0.796 30.843 30.300 -0.420 0.000 1.178 623 R HN -0.018 nan 8.270 nan 0.000 0.591 624 I N 1.816 122.437 120.570 0.086 0.000 2.495 624 I HA 0.468 4.637 4.170 -0.000 0.000 0.277 624 I C 0.070 176.430 176.117 0.404 0.000 1.045 624 I CA -0.732 60.641 61.300 0.122 0.000 1.135 624 I CB 1.650 39.580 38.000 -0.115 0.000 1.241 624 I HN 0.459 nan 8.210 nan 0.000 0.469 625 A N 6.832 130.035 122.820 0.638 0.000 2.242 625 A HA 0.887 5.207 4.320 -0.000 0.000 0.304 625 A C -0.627 177.362 177.584 0.675 0.000 1.100 625 A CA -0.538 51.896 52.037 0.662 0.000 0.860 625 A CB 1.522 20.854 19.000 0.553 0.000 1.168 625 A HN 0.717 nan 8.150 nan 0.000 0.503 626 I N 0.136 121.017 120.570 0.519 0.000 2.692 626 I HA 0.601 4.771 4.170 -0.000 0.000 0.293 626 I C -1.924 174.440 176.117 0.413 0.000 1.200 626 I CA -0.641 60.880 61.300 0.368 0.000 1.036 626 I CB 1.577 39.531 38.000 -0.077 0.000 1.258 626 I HN 0.942 nan 8.210 nan 0.000 0.421 627 W N 7.224 128.660 121.300 0.227 0.000 3.167 627 W HA 0.856 5.516 4.660 -0.000 0.000 0.324 627 W C -1.438 175.214 176.519 0.221 0.000 1.230 627 W CA -1.015 56.451 57.345 0.202 0.000 1.184 627 W CB 1.217 30.822 29.460 0.241 0.000 1.414 627 W HN 0.793 nan 8.180 nan 0.000 0.551 628 G N 0.919 109.593 108.800 -0.211 0.000 2.646 628 G HA2 0.509 4.469 3.960 -0.000 0.000 0.291 628 G HA3 0.509 4.469 3.960 -0.000 0.000 0.291 628 G C -2.798 172.049 174.900 -0.088 0.000 1.445 628 G CA -0.700 44.171 45.100 -0.382 0.000 0.814 628 G HN 0.609 nan 8.290 nan 0.000 0.495 629 W N 0.709 121.913 121.300 -0.160 0.000 2.736 629 W HA 0.588 5.248 4.660 -0.001 0.000 0.335 629 W C 0.844 177.443 176.519 0.132 0.000 1.059 629 W CA 0.317 57.673 57.345 0.019 0.000 1.226 629 W CB 1.924 31.399 29.460 0.026 0.000 1.416 629 W HN 1.288 nan 8.180 nan 0.000 0.505 630 S N 2.774 118.798 115.700 0.541 0.000 4.155 630 S HA -0.429 4.040 4.470 -0.000 0.000 0.604 630 S C 1.000 175.760 174.600 0.268 0.000 1.871 630 S CA 2.036 60.547 58.200 0.518 0.000 4.248 630 S CB -1.883 61.704 63.200 0.646 0.000 0.206 630 S HN 0.777 nan 8.310 nan 0.000 0.460 631 Y N 2.570 122.949 120.300 0.132 0.000 2.365 631 Y HA 0.298 4.848 4.550 -0.001 0.000 0.293 631 Y C 2.369 178.228 175.900 -0.068 0.000 1.119 631 Y CA 2.062 60.134 58.100 -0.046 0.000 1.203 631 Y CB -0.969 37.330 38.460 -0.268 0.000 1.026 631 Y HN 0.494 nan 8.280 nan 0.000 0.549 632 G N -0.543 108.332 108.800 0.125 0.000 2.432 632 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 632 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 632 G C 1.871 176.822 174.900 0.086 0.000 1.135 632 G CA 0.735 45.894 45.100 0.100 0.000 0.767 632 G HN 0.558 nan 8.290 nan 0.000 0.550 633 G N -0.486 108.385 108.800 0.118 0.000 2.471 633 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 633 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 633 G C 1.551 176.487 174.900 0.060 0.000 1.125 633 G CA 1.006 46.145 45.100 0.066 0.000 0.775 633 G HN 0.461 nan 8.290 nan 0.000 0.548 634 Y N 1.015 121.237 120.300 -0.130 0.000 2.243 634 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 634 Y C 2.584 178.386 175.900 -0.164 0.000 1.124 634 Y CA 1.005 58.962 58.100 -0.237 0.000 1.159 634 Y CB -0.190 37.968 38.460 -0.505 0.000 1.008 634 Y HN 0.014 nan 8.280 nan 0.000 0.527 635 V N -0.096 119.700 119.914 -0.196 0.000 2.358 635 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 635 V C 2.250 178.225 176.094 -0.198 0.000 1.047 635 V CA 2.373 64.535 62.300 -0.231 0.000 1.035 635 V CB -1.138 30.684 31.823 -0.001 0.000 0.658 635 V HN 0.478 nan 8.190 nan 0.000 0.452 636 T N -0.084 114.412 114.554 -0.098 0.000 2.665 636 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 636 T C 2.087 176.732 174.700 -0.092 0.000 1.035 636 T CA 2.025 64.080 62.100 -0.074 0.000 1.151 636 T CB -0.340 68.564 68.868 0.059 0.000 0.862 636 T HN 0.486 nan 8.240 nan 0.000 0.438 637 S N 0.733 116.420 115.700 -0.023 0.000 2.419 637 S HA 0.046 4.516 4.470 -0.000 0.000 0.233 637 S C 2.000 176.515 174.600 -0.142 0.000 1.016 637 S CA 0.781 59.007 58.200 0.044 0.000 0.974 637 S CB -0.223 63.057 63.200 0.133 0.000 0.786 637 S HN 0.318 nan 8.310 nan 0.000 0.492 638 M N 0.400 119.822 119.600 -0.297 0.000 2.388 638 M HA 0.098 4.578 4.480 -0.000 0.000 0.265 638 M C 1.964 178.075 176.300 -0.315 0.000 1.088 638 M CA 0.828 55.927 55.300 -0.335 0.000 1.134 638 M CB -0.883 31.442 32.600 -0.459 0.000 1.384 638 M HN 0.170 nan 8.290 nan 0.000 0.447 639 V N 0.171 119.890 119.914 -0.325 0.000 2.488 639 V HA -0.146 3.973 4.120 -0.000 0.000 0.246 639 V C 2.300 178.148 176.094 -0.410 0.000 1.046 639 V CA 1.011 63.105 62.300 -0.343 0.000 1.053 639 V CB -0.417 31.139 31.823 -0.445 0.000 0.679 639 V HN 0.360 nan 8.190 nan 0.000 0.458 640 L N 0.421 121.348 121.223 -0.495 0.000 2.291 640 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 640 L C 2.005 178.270 176.870 -1.007 0.000 1.120 640 L CA 1.296 55.770 54.840 -0.609 0.000 0.799 640 L CB -0.390 41.347 42.059 -0.537 0.000 0.925 640 L HN 0.466 nan 8.230 nan 0.000 0.446 641 G N -1.751 106.415 108.800 -1.056 0.000 3.605 641 G HA2 0.019 3.979 3.960 -0.000 0.000 0.277 641 G HA3 0.019 3.979 3.960 -0.000 0.000 0.277 641 G C 1.129 175.782 174.900 -0.411 0.000 1.093 641 G CA 0.469 44.996 45.100 -0.955 0.000 0.821 641 G HN 0.352 nan 8.290 nan 0.000 0.532 642 S N -0.653 114.855 115.700 -0.319 0.000 2.575 642 S HA 0.315 4.785 4.470 -0.000 0.000 0.215 642 S C 1.666 176.198 174.600 -0.113 0.000 0.966 642 S CA 0.513 58.609 58.200 -0.174 0.000 0.911 642 S CB 0.047 63.167 63.200 -0.133 0.000 0.780 642 S HN 1.209 nan 8.310 nan 0.000 0.514 643 G N 2.194 110.916 108.800 -0.130 0.000 2.395 643 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.292 643 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.292 643 G C 0.572 175.452 174.900 -0.033 0.000 0.953 643 G CA 0.607 45.664 45.100 -0.071 0.000 1.207 643 G HN 1.193 nan 8.290 nan 0.000 0.503 644 S N -0.759 114.937 115.700 -0.008 0.000 2.523 644 S HA 0.419 4.888 4.470 -0.000 0.000 0.217 644 S C 2.081 176.692 174.600 0.019 0.000 0.996 644 S CA 0.960 59.168 58.200 0.014 0.000 0.921 644 S CB 0.406 63.636 63.200 0.050 0.000 0.829 644 S HN 2.259 nan 8.310 nan 0.000 0.495 645 G N 0.946 109.762 108.800 0.027 0.000 2.233 645 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.270 645 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.270 645 G C 0.667 175.564 174.900 -0.006 0.000 1.011 645 G CA 0.628 45.739 45.100 0.019 0.000 0.762 645 G HN 0.642 nan 8.290 nan 0.000 0.511 646 V N -1.155 118.755 119.914 -0.007 0.000 2.492 646 V HA 0.324 4.443 4.120 -0.000 0.000 0.241 646 V C 1.315 177.222 176.094 -0.312 0.000 1.041 646 V CA 1.284 63.456 62.300 -0.212 0.000 1.057 646 V CB -0.254 31.341 31.823 -0.381 0.000 0.711 646 V HN 0.300 nan 8.190 nan 0.000 0.468 647 F N 0.150 120.120 119.950 0.033 0.000 2.397 647 F HA 0.388 4.914 4.527 -0.000 0.000 0.331 647 F C 1.191 177.047 175.800 0.093 0.000 1.090 647 F CA -0.290 57.760 58.000 0.084 0.000 1.065 647 F CB 1.300 40.356 39.000 0.094 0.000 1.184 647 F HN -0.210 nan 8.300 nan 0.000 0.499 648 K N 0.832 121.423 120.400 0.318 0.000 2.244 648 K HA 0.189 4.509 4.320 -0.000 0.000 0.200 648 K C -0.225 176.536 176.600 0.268 0.000 1.052 648 K CA 0.695 57.129 56.287 0.245 0.000 0.980 648 K CB 0.365 33.004 32.500 0.230 0.000 0.838 648 K HN 0.806 nan 8.250 nan 0.000 0.481 649 c N -2.379 116.428 118.600 0.345 0.000 3.332 649 c HA 0.920 5.489 4.570 -0.000 0.000 0.329 649 c C -0.304 174.072 174.090 0.477 0.000 1.434 649 c CA -0.518 56.047 56.329 0.393 0.000 1.314 649 c CB 1.055 43.733 42.510 0.281 0.000 1.664 649 c HN 0.375 nan 8.230 nan 0.000 0.457 650 G N 0.058 109.211 108.800 0.588 0.000 2.616 650 G HA2 0.629 4.589 3.960 -0.000 0.000 0.294 650 G HA3 0.629 4.589 3.960 -0.000 0.000 0.294 650 G C -1.790 173.273 174.900 0.272 0.000 1.489 650 G CA -0.672 44.705 45.100 0.462 0.000 0.836 650 G HN 0.984 nan 8.290 nan 0.000 0.527 651 I N 0.399 121.079 120.570 0.183 0.000 2.562 651 I HA 0.728 4.898 4.170 -0.000 0.000 0.301 651 I C 0.261 176.446 176.117 0.113 0.000 1.003 651 I CA -1.138 60.113 61.300 -0.081 0.000 1.127 651 I CB 2.368 40.281 38.000 -0.144 0.000 1.304 651 I HN 0.686 nan 8.210 nan 0.000 0.446 652 A N 5.280 128.063 122.820 -0.061 0.000 2.569 652 A HA 0.613 4.933 4.320 -0.000 0.000 0.282 652 A C -0.901 176.595 177.584 -0.147 0.000 1.165 652 A CA -0.429 51.610 52.037 0.003 0.000 0.747 652 A CB 0.853 19.910 19.000 0.094 0.000 1.215 652 A HN 0.401 nan 8.150 nan 0.000 0.431 653 V N 2.011 121.794 119.914 -0.218 0.000 2.461 653 V HA 0.497 4.617 4.120 -0.000 0.000 0.275 653 V C 1.203 176.922 176.094 -0.624 0.000 1.047 653 V CA 0.606 62.556 62.300 -0.583 0.000 0.955 653 V CB 0.680 31.782 31.823 -1.203 0.000 0.988 653 V HN 2.153 nan 8.190 nan 0.000 0.471 654 A N 5.793 128.279 122.820 -0.557 0.000 2.312 654 A HA -0.111 4.209 4.320 -0.000 0.000 0.286 654 A C -1.796 175.582 177.584 -0.343 0.000 1.425 654 A CA 0.492 52.115 52.037 -0.690 0.000 0.748 654 A CB -1.513 17.287 19.000 -0.334 0.000 1.126 654 A HN 0.641 nan 8.150 nan 0.000 0.368 655 P HA 0.545 nan 4.420 nan 0.000 0.283 655 P C -0.079 177.137 177.300 -0.141 0.000 1.278 655 P CA -0.534 62.503 63.100 -0.106 0.000 0.834 655 P CB 1.451 33.134 31.700 -0.027 0.000 1.150 656 V N 1.289 121.060 119.914 -0.238 0.000 2.546 656 V HA 0.143 4.263 4.120 -0.000 0.000 0.284 656 V C 1.582 177.509 176.094 -0.279 0.000 1.050 656 V CA 0.504 62.519 62.300 -0.476 0.000 0.981 656 V CB 0.752 31.846 31.823 -1.216 0.000 0.990 656 V HN 0.785 nan 8.190 nan 0.000 0.474 657 S N 3.287 118.869 115.700 -0.196 0.000 2.559 657 S HA 0.304 4.774 4.470 -0.000 0.000 0.226 657 S C 0.483 174.999 174.600 -0.141 0.000 1.030 657 S CA -0.378 57.788 58.200 -0.056 0.000 0.956 657 S CB 0.316 63.536 63.200 0.033 0.000 0.900 657 S HN 0.774 nan 8.310 nan 0.000 0.510 658 R N -0.774 119.527 120.500 -0.331 0.000 2.647 658 R HA 0.185 4.524 4.340 -0.000 0.000 0.260 658 R C -1.293 174.706 176.300 -0.502 0.000 1.154 658 R CA -0.637 55.183 56.100 -0.468 0.000 1.029 658 R CB -0.065 29.887 30.300 -0.581 0.000 1.262 658 R HN 0.221 nan 8.270 nan 0.000 0.437 659 W N 2.245 123.456 121.300 -0.148 0.000 2.468 659 W HA -0.060 4.599 4.660 -0.001 0.000 0.262 659 W C 1.205 177.843 176.519 0.199 0.000 1.241 659 W CA 0.650 57.972 57.345 -0.039 0.000 1.232 659 W CB 0.325 29.636 29.460 -0.248 0.000 1.124 659 W HN 0.697 nan 8.180 nan 0.000 0.597 660 E N -1.324 119.047 120.200 0.284 0.000 2.427 660 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 660 E C 1.270 178.015 176.600 0.241 0.000 1.028 660 E CA 0.707 57.249 56.400 0.236 0.000 0.864 660 E CB -0.272 29.440 29.700 0.020 0.000 0.813 660 E HN 0.312 nan 8.360 nan 0.000 0.514 661 Y N -1.144 119.249 120.300 0.155 0.000 2.544 661 Y HA 0.047 4.597 4.550 -0.001 0.000 0.286 661 Y C 0.599 176.634 175.900 0.223 0.000 1.141 661 Y CA -0.191 57.974 58.100 0.109 0.000 1.299 661 Y CB -0.302 38.156 38.460 -0.003 0.000 1.030 661 Y HN 0.034 nan 8.280 nan 0.000 0.543 662 Y N 1.488 121.957 120.300 0.281 0.000 2.480 662 Y HA 0.295 4.845 4.550 -0.000 0.000 0.323 662 Y C 0.374 176.479 175.900 0.342 0.000 1.267 662 Y CA -2.279 55.987 58.100 0.276 0.000 1.336 662 Y CB 0.304 38.942 38.460 0.297 0.000 1.361 662 Y HN 0.172 nan 8.280 nan 0.000 0.518 663 D N -0.480 119.581 120.400 -0.566 0.000 2.364 663 D HA 0.019 4.658 4.640 -0.000 0.000 0.236 663 D C 0.964 177.219 176.300 -0.075 0.000 1.221 663 D CA 0.621 54.361 54.000 -0.434 0.000 0.891 663 D CB 0.600 40.915 40.800 -0.808 0.000 1.190 663 D HN 0.478 nan 8.370 nan 0.000 0.449 664 S N 0.519 116.193 115.700 -0.043 0.000 2.345 664 S HA -0.175 4.295 4.470 -0.000 0.000 0.220 664 S C 1.983 176.625 174.600 0.070 0.000 1.031 664 S CA 1.001 59.243 58.200 0.070 0.000 0.996 664 S CB -0.977 62.269 63.200 0.077 0.000 0.882 664 S HN 0.419 nan 8.310 nan 0.000 0.445 665 V N 0.719 120.614 119.914 -0.031 0.000 2.392 665 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 665 V C 2.294 178.380 176.094 -0.014 0.000 1.059 665 V CA 2.208 64.429 62.300 -0.133 0.000 1.051 665 V CB -1.041 30.548 31.823 -0.390 0.000 0.658 665 V HN 0.635 nan 8.190 nan 0.000 0.455 666 Y N 1.012 121.316 120.300 0.006 0.000 2.231 666 Y HA -0.121 4.429 4.550 -0.001 0.000 0.294 666 Y C 2.630 178.678 175.900 0.247 0.000 1.120 666 Y CA 1.864 60.083 58.100 0.199 0.000 1.141 666 Y CB -0.480 38.261 38.460 0.469 0.000 1.022 666 Y HN 0.205 nan 8.280 nan 0.000 0.523 667 T N 0.752 115.635 114.554 0.549 0.000 2.529 667 T HA -0.272 4.078 4.350 -0.000 0.000 0.261 667 T C 1.556 176.305 174.700 0.081 0.000 1.110 667 T CA 2.170 64.495 62.100 0.375 0.000 1.192 667 T CB -0.561 68.594 68.868 0.477 0.000 0.864 667 T HN 0.423 nan 8.240 nan 0.000 0.407 668 E N 0.582 120.852 120.200 0.117 0.000 2.233 668 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 668 E C 2.295 178.821 176.600 -0.125 0.000 1.004 668 E CA 1.031 57.466 56.400 0.057 0.000 0.819 668 E CB -0.218 29.544 29.700 0.104 0.000 0.738 668 E HN 0.353 nan 8.360 nan 0.000 0.478 669 R N 0.345 120.656 120.500 -0.315 0.000 2.094 669 R HA -0.219 4.120 4.340 -0.000 0.000 0.239 669 R C 1.534 177.297 176.300 -0.894 0.000 1.137 669 R CA 1.982 57.650 56.100 -0.720 0.000 0.943 669 R CB -0.214 29.324 30.300 -1.271 0.000 0.850 669 R HN 0.276 nan 8.270 nan 0.000 0.433 670 Y N -1.867 118.083 120.300 -0.583 0.000 2.478 670 Y HA 0.246 4.796 4.550 -0.000 0.000 0.261 670 Y C 1.485 177.185 175.900 -0.332 0.000 1.127 670 Y CA -0.154 57.605 58.100 -0.569 0.000 1.288 670 Y CB 0.561 38.539 38.460 -0.803 0.000 1.084 670 Y HN 0.009 nan 8.280 nan 0.000 0.530 671 M N -0.187 119.314 119.600 -0.165 0.000 2.306 671 M HA 0.356 4.836 4.480 -0.000 0.000 0.292 671 M C 1.043 177.389 176.300 0.078 0.000 1.018 671 M CA 0.576 55.784 55.300 -0.153 0.000 1.007 671 M CB -0.000 32.300 32.600 -0.499 0.000 1.510 671 M HN 0.360 nan 8.290 nan 0.000 0.537 672 G N 2.191 111.041 108.800 0.084 0.000 2.601 672 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 672 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 672 G C -0.536 174.510 174.900 0.243 0.000 1.289 672 G CA -0.606 44.578 45.100 0.140 0.000 0.920 672 G HN 0.370 nan 8.290 nan 0.000 0.571 673 L N 2.124 123.449 121.223 0.169 0.000 2.322 673 L HA 0.473 4.813 4.340 -0.000 0.000 0.279 673 L C -1.484 175.318 176.870 -0.112 0.000 1.036 673 L CA -1.895 52.982 54.840 0.063 0.000 0.807 673 L CB 2.275 44.343 42.059 0.015 0.000 1.226 673 L HN 0.456 nan 8.230 nan 0.000 0.433 674 P HA 0.056 nan 4.420 nan 0.000 0.226 674 P C -0.651 176.468 177.300 -0.302 0.000 1.783 674 P CA -0.072 62.563 63.100 -0.775 0.000 0.980 674 P CB -0.476 30.555 31.700 -1.114 0.000 1.967 675 T N -2.548 111.916 114.554 -0.149 0.000 2.900 675 T HA 0.427 4.776 4.350 -0.000 0.000 0.295 675 T C -1.977 172.705 174.700 -0.030 0.000 1.044 675 T CA -2.447 59.608 62.100 -0.075 0.000 0.995 675 T CB 2.307 71.145 68.868 -0.050 0.000 1.072 675 T HN -0.201 nan 8.240 nan 0.000 0.473 676 P HA -0.232 nan 4.420 nan 0.000 0.216 676 P C 1.192 178.497 177.300 0.008 0.000 1.154 676 P CA 1.541 64.641 63.100 0.000 0.000 0.865 676 P CB 0.100 31.798 31.700 -0.003 0.000 0.789 677 E N -0.610 119.591 120.200 0.002 0.000 2.401 677 E HA -0.147 4.202 4.350 -0.000 0.000 0.199 677 E C 0.999 177.608 176.600 0.015 0.000 1.023 677 E CA 0.942 57.345 56.400 0.006 0.000 0.859 677 E CB -0.277 29.423 29.700 -0.001 0.000 0.780 677 E HN 0.341 nan 8.360 nan 0.000 0.523 678 D N 0.399 120.812 120.400 0.021 0.000 3.506 678 D HA 0.009 4.648 4.640 -0.000 0.000 0.184 678 D C 0.549 176.893 176.300 0.073 0.000 1.138 678 D CA -0.345 53.680 54.000 0.041 0.000 1.427 678 D CB -0.247 40.577 40.800 0.041 0.000 1.012 678 D HN -0.074 nan 8.370 nan 0.000 0.177 679 N N -0.141 118.629 118.700 0.118 0.000 2.230 679 N HA 0.057 4.797 4.740 -0.000 0.000 0.202 679 N C 1.450 177.130 175.510 0.284 0.000 1.119 679 N CA -0.033 53.141 53.050 0.207 0.000 0.851 679 N CB -0.031 38.620 38.487 0.274 0.000 0.990 679 N HN 0.256 nan 8.380 nan 0.000 0.497 680 L N 1.265 122.564 121.223 0.126 0.000 2.103 680 L HA -0.274 4.065 4.340 -0.000 0.000 0.215 680 L C 1.258 178.220 176.870 0.154 0.000 1.080 680 L CA 2.403 57.278 54.840 0.059 0.000 0.764 680 L CB -1.054 40.985 42.059 -0.033 0.000 0.890 680 L HN 0.318 nan 8.230 nan 0.000 0.435 681 D N -2.270 118.215 120.400 0.142 0.000 2.104 681 D HA -0.321 4.319 4.640 -0.000 0.000 0.194 681 D C 2.077 178.489 176.300 0.186 0.000 0.994 681 D CA 2.000 56.080 54.000 0.133 0.000 0.830 681 D CB -0.618 40.245 40.800 0.106 0.000 0.959 681 D HN 0.629 nan 8.370 nan 0.000 0.452 682 H N -1.278 117.867 119.070 0.124 0.000 2.436 682 H HA 0.017 4.573 4.556 -0.001 0.000 0.294 682 H C 1.406 176.812 175.328 0.131 0.000 1.048 682 H CA 0.973 57.074 56.048 0.089 0.000 1.353 682 H CB -0.373 29.410 29.762 0.034 0.000 1.414 682 H HN 0.247 nan 8.280 nan 0.000 0.536 683 Y N 0.746 121.047 120.300 0.001 0.000 2.009 683 Y HA -0.274 4.276 4.550 -0.000 0.000 0.260 683 Y C 2.623 178.488 175.900 -0.057 0.000 1.118 683 Y CA 1.742 59.835 58.100 -0.010 0.000 1.087 683 Y CB -0.124 38.356 38.460 0.033 0.000 0.970 683 Y HN 0.070 nan 8.280 nan 0.000 0.481 684 R N 0.327 120.924 120.500 0.162 0.000 2.244 684 R HA -0.241 4.098 4.340 -0.000 0.000 0.252 684 R C 1.132 177.438 176.300 0.011 0.000 1.177 684 R CA 1.490 57.622 56.100 0.054 0.000 1.004 684 R CB -1.364 28.961 30.300 0.042 0.000 0.873 684 R HN 0.556 nan 8.270 nan 0.000 0.469 685 N N 0.420 119.116 118.700 -0.007 0.000 2.268 685 N HA -0.025 4.714 4.740 -0.000 0.000 0.204 685 N C -0.550 174.907 175.510 -0.089 0.000 1.124 685 N CA 0.053 53.091 53.050 -0.020 0.000 0.838 685 N CB 0.397 38.914 38.487 0.049 0.000 0.994 685 N HN 0.077 nan 8.380 nan 0.000 0.489 686 S N -0.659 114.957 115.700 -0.139 0.000 2.794 686 S HA 0.110 4.580 4.470 -0.000 0.000 0.244 686 S C -0.093 174.518 174.600 0.018 0.000 1.045 686 S CA -0.798 57.334 58.200 -0.112 0.000 1.114 686 S CB 0.006 63.014 63.200 -0.319 0.000 1.085 686 S HN 0.137 nan 8.310 nan 0.000 0.488 687 T N -1.561 112.984 114.554 -0.015 0.000 2.895 687 T HA 0.602 4.952 4.350 -0.000 0.000 0.283 687 T C 1.332 176.024 174.700 -0.014 0.000 1.014 687 T CA -0.680 61.408 62.100 -0.020 0.000 1.037 687 T CB 1.464 70.297 68.868 -0.059 0.000 1.006 687 T HN -0.032 nan 8.240 nan 0.000 0.468 688 V N 2.137 122.049 119.914 -0.003 0.000 2.295 688 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 688 V C 2.677 178.777 176.094 0.010 0.000 1.049 688 V CA 1.945 64.246 62.300 0.001 0.000 1.024 688 V CB -1.065 30.761 31.823 0.005 0.000 0.648 688 V HN 0.858 nan 8.190 nan 0.000 0.447 689 M N 1.479 121.062 119.600 -0.028 0.000 2.103 689 M HA -0.220 4.259 4.480 -0.000 0.000 0.255 689 M C 2.234 178.524 176.300 -0.017 0.000 1.074 689 M CA 2.419 57.693 55.300 -0.043 0.000 1.090 689 M CB -1.002 31.577 32.600 -0.035 0.000 1.325 689 M HN 0.547 nan 8.290 nan 0.000 0.403 690 S N -0.302 115.392 115.700 -0.010 0.000 2.595 690 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 690 S C 1.488 176.094 174.600 0.010 0.000 0.974 690 S CA 0.513 58.711 58.200 -0.003 0.000 0.942 690 S CB -0.488 62.707 63.200 -0.009 0.000 0.766 690 S HN 0.548 nan 8.310 nan 0.000 0.536 691 R N -0.224 120.298 120.500 0.038 0.000 2.437 691 R HA 0.430 4.770 4.340 -0.000 0.000 0.257 691 R C 2.154 178.550 176.300 0.160 0.000 0.927 691 R CA 0.473 56.606 56.100 0.055 0.000 1.078 691 R CB -0.169 30.142 30.300 0.018 0.000 1.161 691 R HN 0.433 nan 8.270 nan 0.000 0.529 692 A N 1.998 124.908 122.820 0.150 0.000 1.958 692 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 692 A C 2.042 179.727 177.584 0.168 0.000 1.178 692 A CA 2.047 54.178 52.037 0.156 0.000 0.642 692 A CB -0.342 18.637 19.000 -0.035 0.000 0.816 692 A HN 0.357 nan 8.150 nan 0.000 0.453 693 E N 0.261 120.514 120.200 0.089 0.000 2.267 693 E HA -0.171 4.178 4.350 -0.000 0.000 0.197 693 E C 1.474 178.112 176.600 0.063 0.000 0.998 693 E CA 1.526 57.965 56.400 0.065 0.000 0.830 693 E CB -0.180 29.540 29.700 0.035 0.000 0.751 693 E HN 0.642 nan 8.360 nan 0.000 0.491 694 N N -0.796 117.934 118.700 0.049 0.000 2.373 694 N HA -0.011 4.729 4.740 -0.000 0.000 0.181 694 N C 0.679 176.135 175.510 -0.090 0.000 1.082 694 N CA 0.238 53.263 53.050 -0.041 0.000 0.885 694 N CB -0.013 38.400 38.487 -0.123 0.000 0.977 694 N HN 0.224 nan 8.380 nan 0.000 0.462 695 F N 1.706 121.597 119.950 -0.099 0.000 2.408 695 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 695 F C 2.211 177.999 175.800 -0.019 0.000 1.090 695 F CA 0.828 58.756 58.000 -0.121 0.000 1.427 695 F CB 0.094 38.961 39.000 -0.221 0.000 1.070 695 F HN -0.112 nan 8.300 nan 0.000 0.549 696 K N 0.150 120.641 120.400 0.151 0.000 2.519 696 K HA -0.169 4.150 4.320 -0.000 0.000 0.196 696 K C 1.403 178.057 176.600 0.090 0.000 1.041 696 K CA 0.933 57.293 56.287 0.122 0.000 0.954 696 K CB -0.053 32.502 32.500 0.091 0.000 0.774 696 K HN 0.405 nan 8.250 nan 0.000 0.480 697 Q N -0.461 119.375 119.800 0.060 0.000 2.319 697 Q HA 0.071 4.411 4.340 -0.000 0.000 0.209 697 Q C -0.288 175.757 176.000 0.075 0.000 0.884 697 Q CA -0.105 55.728 55.803 0.050 0.000 0.938 697 Q CB 1.216 29.964 28.738 0.017 0.000 1.098 697 Q HN 0.109 nan 8.270 nan 0.000 0.517 698 V N -2.851 117.123 119.914 0.100 0.000 3.078 698 V HA 0.481 4.601 4.120 -0.000 0.000 0.311 698 V C -1.096 175.146 176.094 0.247 0.000 1.138 698 V CA -1.336 61.055 62.300 0.152 0.000 1.007 698 V CB 2.259 34.154 31.823 0.120 0.000 1.045 698 V HN -0.049 nan 8.190 nan 0.000 0.432 699 E N 1.804 122.174 120.200 0.284 0.000 2.289 699 E HA 0.464 4.814 4.350 -0.000 0.000 0.278 699 E C -1.619 175.351 176.600 0.617 0.000 1.032 699 E CA -0.103 56.524 56.400 0.378 0.000 0.854 699 E CB 1.177 31.012 29.700 0.224 0.000 1.046 699 E HN 0.676 nan 8.360 nan 0.000 0.409 700 Y N 3.108 123.691 120.300 0.472 0.000 2.499 700 Y HA 0.522 5.071 4.550 -0.001 0.000 0.347 700 Y C -1.742 174.287 175.900 0.215 0.000 0.987 700 Y CA -1.513 56.806 58.100 0.366 0.000 1.044 700 Y CB 1.239 39.908 38.460 0.348 0.000 1.245 700 Y HN 0.418 nan 8.280 nan 0.000 0.461 701 L N 7.056 127.982 121.223 -0.495 0.000 2.404 701 L HA 0.582 4.922 4.340 -0.000 0.000 0.272 701 L C -2.316 174.114 176.870 -0.732 0.000 0.980 701 L CA -0.708 53.755 54.840 -0.629 0.000 0.836 701 L CB 1.396 42.784 42.059 -1.119 0.000 1.238 701 L HN 0.620 nan 8.230 nan 0.000 0.408 702 L N 6.528 127.443 121.223 -0.515 0.000 2.287 702 L HA 0.695 5.035 4.340 -0.000 0.000 0.287 702 L C -1.007 175.792 176.870 -0.118 0.000 1.022 702 L CA 0.065 54.655 54.840 -0.416 0.000 0.814 702 L CB 0.992 42.844 42.059 -0.344 0.000 1.217 702 L HN 0.589 nan 8.230 nan 0.000 0.420 703 I N 4.427 124.931 120.570 -0.109 0.000 2.646 703 I HA 0.508 4.678 4.170 -0.000 0.000 0.299 703 I C -0.975 175.208 176.117 0.111 0.000 1.036 703 I CA -0.762 60.559 61.300 0.035 0.000 1.074 703 I CB 2.032 40.025 38.000 -0.011 0.000 1.258 703 I HN 0.651 nan 8.210 nan 0.000 0.430 704 H N 1.953 121.145 119.070 0.204 0.000 3.151 704 H HA 0.399 4.955 4.556 -0.000 0.000 0.333 704 H C -0.493 175.047 175.328 0.353 0.000 1.093 704 H CA -0.736 55.477 56.048 0.275 0.000 1.342 704 H CB 1.778 31.750 29.762 0.350 0.000 1.983 704 H HN 0.803 nan 8.280 nan 0.000 0.503 705 G N 1.179 110.330 108.800 0.585 0.000 2.403 705 G HA2 0.167 4.127 3.960 -0.000 0.000 0.259 705 G HA3 0.167 4.127 3.960 -0.000 0.000 0.259 705 G C 1.168 176.157 174.900 0.148 0.000 1.244 705 G CA 0.149 45.468 45.100 0.365 0.000 0.849 705 G HN 0.715 nan 8.290 nan 0.000 0.532 706 T N -1.129 113.390 114.554 -0.058 0.000 3.163 706 T HA 0.233 4.583 4.350 -0.000 0.000 0.260 706 T C 1.241 175.886 174.700 -0.093 0.000 1.156 706 T CA 0.981 62.885 62.100 -0.326 0.000 1.072 706 T CB 0.189 68.906 68.868 -0.252 0.000 0.937 706 T HN 0.851 nan 8.240 nan 0.000 0.528 707 A N 0.924 123.763 122.820 0.032 0.000 2.956 707 A HA 0.372 4.692 4.320 -0.000 0.000 0.294 707 A C -0.023 177.500 177.584 -0.102 0.000 0.993 707 A CA -0.604 51.431 52.037 -0.003 0.000 1.032 707 A CB 0.064 19.312 19.000 0.413 0.000 1.129 707 A HN 0.333 nan 8.150 nan 0.000 0.505 708 D N 1.668 121.969 120.400 -0.166 0.000 2.468 708 D HA 0.044 4.684 4.640 -0.000 0.000 0.218 708 D C 0.397 176.570 176.300 -0.212 0.000 1.155 708 D CA -0.066 53.933 54.000 -0.002 0.000 0.924 708 D CB 0.661 41.618 40.800 0.262 0.000 1.029 708 D HN 0.552 nan 8.370 nan 0.000 0.515 709 D N 2.907 123.224 120.400 -0.137 0.000 2.149 709 D HA -0.234 4.406 4.640 -0.000 0.000 0.198 709 D C 1.224 177.309 176.300 -0.358 0.000 0.990 709 D CA 0.580 54.470 54.000 -0.183 0.000 0.839 709 D CB 0.083 40.749 40.800 -0.223 0.000 0.948 709 D HN 0.281 nan 8.370 nan 0.000 0.460 710 N N 0.994 119.639 118.700 -0.093 0.000 2.073 710 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 710 N C 0.265 175.540 175.510 -0.392 0.000 1.075 710 N CA 0.929 53.962 53.050 -0.029 0.000 0.866 710 N CB -0.265 38.255 38.487 0.055 0.000 1.051 710 N HN -0.021 nan 8.380 nan 0.000 0.437 711 V N 3.931 123.591 119.914 -0.423 0.000 2.153 711 V HA 0.079 4.199 4.120 -0.000 0.000 0.250 711 V C -0.237 175.790 176.094 -0.112 0.000 1.334 711 V CA -0.359 61.779 62.300 -0.270 0.000 1.249 711 V CB -1.358 30.269 31.823 -0.327 0.000 1.371 711 V HN 0.328 nan 8.190 nan 0.000 0.498 712 H N 1.979 120.991 119.070 -0.097 0.000 3.144 712 H HA -0.151 4.405 4.556 -0.000 0.000 0.336 712 H C 1.051 176.253 175.328 -0.210 0.000 1.065 712 H CA 0.599 56.527 56.048 -0.200 0.000 1.338 712 H CB 0.573 30.140 29.762 -0.324 0.000 1.251 712 H HN 0.487 nan 8.280 nan 0.000 0.602 713 F N 1.784 121.467 119.950 -0.446 0.000 2.154 713 F HA -0.262 4.265 4.527 -0.001 0.000 0.301 713 F C 2.655 178.179 175.800 -0.461 0.000 1.087 713 F CA 1.961 59.468 58.000 -0.821 0.000 1.274 713 F CB -0.339 38.370 39.000 -0.485 0.000 1.009 713 F HN 0.667 nan 8.300 nan 0.000 0.485 714 Q N 0.042 119.647 119.800 -0.325 0.000 2.250 714 Q HA -0.330 4.010 4.340 -0.000 0.000 0.215 714 Q C 2.031 177.709 176.000 -0.538 0.000 1.002 714 Q CA 2.356 57.899 55.803 -0.433 0.000 0.910 714 Q CB -0.291 28.190 28.738 -0.427 0.000 0.939 714 Q HN 0.588 nan 8.270 nan 0.000 0.416 715 Q N -0.394 119.161 119.800 -0.409 0.000 2.020 715 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 715 Q C 2.287 178.165 176.000 -0.204 0.000 0.982 715 Q CA 1.769 57.423 55.803 -0.248 0.000 0.838 715 Q CB -0.190 28.519 28.738 -0.047 0.000 0.899 715 Q HN 0.342 nan 8.270 nan 0.000 0.423 716 S N 1.004 116.566 115.700 -0.229 0.000 2.371 716 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 716 S C 2.089 176.447 174.600 -0.403 0.000 1.029 716 S CA 0.802 58.860 58.200 -0.237 0.000 0.978 716 S CB -0.206 62.907 63.200 -0.145 0.000 0.833 716 S HN 0.486 nan 8.310 nan 0.000 0.466 717 A N 1.190 123.592 122.820 -0.696 0.000 2.032 717 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 717 A C 2.055 179.467 177.584 -0.287 0.000 1.165 717 A CA 1.236 52.948 52.037 -0.542 0.000 0.645 717 A CB -0.357 18.289 19.000 -0.591 0.000 0.807 717 A HN 0.377 nan 8.150 nan 0.000 0.453 718 Q N -0.918 118.731 119.800 -0.252 0.000 2.354 718 Q HA 0.157 4.497 4.340 -0.000 0.000 0.203 718 Q C 1.986 177.917 176.000 -0.115 0.000 0.933 718 Q CA 0.550 56.276 55.803 -0.128 0.000 0.901 718 Q CB -0.044 28.677 28.738 -0.028 0.000 1.007 718 Q HN 0.786 nan 8.270 nan 0.000 0.495 719 I N 0.866 121.339 120.570 -0.162 0.000 2.277 719 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 719 I C 2.460 178.407 176.117 -0.285 0.000 1.094 719 I CA 1.125 62.295 61.300 -0.217 0.000 1.393 719 I CB -0.366 37.506 38.000 -0.213 0.000 1.078 719 I HN 0.144 nan 8.210 nan 0.000 0.417 720 S N 1.545 117.107 115.700 -0.231 0.000 2.363 720 S HA -0.326 4.144 4.470 -0.000 0.000 0.218 720 S C 2.033 176.604 174.600 -0.048 0.000 1.035 720 S CA 1.657 59.779 58.200 -0.130 0.000 1.043 720 S CB -0.753 62.482 63.200 0.058 0.000 0.986 720 S HN 0.337 nan 8.310 nan 0.000 0.423 721 K N 1.891 122.264 120.400 -0.044 0.000 2.173 721 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 721 K C 2.159 178.739 176.600 -0.033 0.000 1.046 721 K CA 1.353 57.627 56.287 -0.022 0.000 0.929 721 K CB -0.665 31.811 32.500 -0.039 0.000 0.720 721 K HN 0.505 nan 8.250 nan 0.000 0.453 722 A N 0.711 123.483 122.820 -0.080 0.000 1.929 722 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 722 A C 2.023 179.549 177.584 -0.095 0.000 1.176 722 A CA 0.979 52.966 52.037 -0.083 0.000 0.628 722 A CB -0.356 18.580 19.000 -0.106 0.000 0.816 722 A HN 0.308 nan 8.150 nan 0.000 0.444 723 L N -0.469 120.654 121.223 -0.167 0.000 2.156 723 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 723 L C 2.432 179.325 176.870 0.038 0.000 1.095 723 L CA 0.645 55.394 54.840 -0.150 0.000 0.770 723 L CB -0.448 41.351 42.059 -0.432 0.000 0.914 723 L HN 0.231 nan 8.230 nan 0.000 0.439 724 V N -0.401 119.564 119.914 0.086 0.000 2.261 724 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 724 V C 2.071 178.199 176.094 0.056 0.000 1.047 724 V CA 1.868 64.234 62.300 0.109 0.000 1.015 724 V CB -0.557 31.324 31.823 0.096 0.000 0.642 724 V HN 0.395 nan 8.190 nan 0.000 0.446 725 D N 0.629 121.046 120.400 0.028 0.000 2.203 725 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 725 D C 1.677 177.991 176.300 0.023 0.000 0.997 725 D CA 1.895 55.906 54.000 0.018 0.000 0.863 725 D CB -0.214 40.588 40.800 0.003 0.000 0.928 725 D HN 0.566 nan 8.370 nan 0.000 0.458 726 V N -3.660 116.270 119.914 0.027 0.000 3.342 726 V HA 0.500 4.620 4.120 -0.000 0.000 0.322 726 V C 1.210 177.335 176.094 0.052 0.000 1.370 726 V CA 0.087 62.408 62.300 0.034 0.000 1.170 726 V CB -0.111 31.730 31.823 0.031 0.000 1.101 726 V HN 0.138 nan 8.190 nan 0.000 0.442 727 G N 0.705 109.542 108.800 0.062 0.000 2.323 727 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.292 727 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.292 727 G C -0.048 174.913 174.900 0.102 0.000 1.040 727 G CA 0.457 45.602 45.100 0.075 0.000 0.942 727 G HN 0.778 nan 8.290 nan 0.000 0.506 728 V N 0.492 120.488 119.914 0.136 0.000 2.370 728 V HA 0.376 4.495 4.120 -0.000 0.000 0.279 728 V C 0.572 176.846 176.094 0.301 0.000 1.029 728 V CA -0.590 61.820 62.300 0.183 0.000 0.870 728 V CB 1.639 33.552 31.823 0.150 0.000 0.984 728 V HN 0.476 nan 8.190 nan 0.000 0.451 729 D N 4.007 124.558 120.400 0.252 0.000 2.357 729 D HA 0.582 5.222 4.640 -0.000 0.000 0.242 729 D C -0.572 175.989 176.300 0.436 0.000 1.153 729 D CA 0.416 54.560 54.000 0.241 0.000 0.918 729 D CB 0.705 41.585 40.800 0.133 0.000 1.181 729 D HN 0.400 nan 8.370 nan 0.000 0.435 730 F N -1.139 118.892 119.950 0.134 0.000 2.799 730 F HA 0.329 4.856 4.527 -0.000 0.000 0.316 730 F C -1.762 174.112 175.800 0.124 0.000 1.155 730 F CA -1.199 56.909 58.000 0.180 0.000 0.916 730 F CB 0.580 39.720 39.000 0.235 0.000 1.294 730 F HN 0.108 nan 8.300 nan 0.000 0.447 731 Q N 1.721 121.628 119.800 0.179 0.000 2.222 731 Q HA 0.813 5.152 4.340 -0.000 0.000 0.252 731 Q C -0.505 175.527 176.000 0.054 0.000 0.926 731 Q CA -0.562 55.258 55.803 0.029 0.000 0.899 731 Q CB 2.146 30.967 28.738 0.137 0.000 1.250 731 Q HN 1.024 nan 8.270 nan 0.000 0.441 732 A N 1.823 124.642 122.820 -0.003 0.000 2.437 732 A HA 0.904 5.224 4.320 -0.000 0.000 0.292 732 A C -1.030 176.601 177.584 0.080 0.000 1.173 732 A CA -0.607 51.490 52.037 0.099 0.000 0.785 732 A CB 1.853 20.935 19.000 0.137 0.000 1.351 732 A HN 0.640 nan 8.150 nan 0.000 0.431 733 M N 0.343 119.997 119.600 0.091 0.000 2.431 733 M HA 0.410 4.889 4.480 -0.000 0.000 0.213 733 M C -2.014 174.243 176.300 -0.071 0.000 0.955 733 M CA -0.547 54.682 55.300 -0.117 0.000 0.844 733 M CB 0.396 32.914 32.600 -0.136 0.000 2.440 733 M HN 1.017 nan 8.290 nan 0.000 0.434 734 W N 4.308 125.439 121.300 -0.281 0.000 2.485 734 W HA 0.846 5.506 4.660 -0.000 0.000 0.364 734 W C -1.795 174.418 176.519 -0.510 0.000 1.171 734 W CA -0.650 56.569 57.345 -0.211 0.000 1.304 734 W CB 0.600 29.941 29.460 -0.198 0.000 1.335 734 W HN 0.614 nan 8.180 nan 0.000 0.643 735 Y N 1.618 121.970 120.300 0.086 0.000 2.445 735 Y HA 0.248 4.798 4.550 -0.001 0.000 0.332 735 Y C 0.301 176.253 175.900 0.087 0.000 1.037 735 Y CA -1.240 56.827 58.100 -0.056 0.000 1.296 735 Y CB 1.201 39.631 38.460 -0.050 0.000 1.099 735 Y HN 0.439 nan 8.280 nan 0.000 0.496 736 T N 4.751 119.431 114.554 0.209 0.000 2.656 736 T HA -0.112 4.238 4.350 -0.000 0.000 0.258 736 T C 0.263 175.059 174.700 0.161 0.000 1.020 736 T CA 1.187 63.394 62.100 0.178 0.000 1.191 736 T CB -0.272 68.618 68.868 0.037 0.000 1.004 736 T HN 0.706 nan 8.240 nan 0.000 0.498 737 D N 0.986 121.502 120.400 0.194 0.000 2.983 737 D HA -0.129 4.511 4.640 -0.000 0.000 0.225 737 D C 0.241 176.729 176.300 0.315 0.000 1.174 737 D CA 1.046 55.177 54.000 0.218 0.000 0.831 737 D CB -0.344 40.416 40.800 -0.068 0.000 1.104 737 D HN 0.556 nan 8.370 nan 0.000 0.421 738 E N 0.903 121.266 120.200 0.271 0.000 2.266 738 E HA 0.301 4.650 4.350 -0.000 0.000 0.277 738 E C 0.762 177.536 176.600 0.291 0.000 1.018 738 E CA -0.369 56.190 56.400 0.266 0.000 0.840 738 E CB 1.176 31.014 29.700 0.230 0.000 1.082 738 E HN 0.266 nan 8.360 nan 0.000 0.395 739 D N 0.093 120.674 120.400 0.302 0.000 2.446 739 D HA -0.027 4.613 4.640 -0.000 0.000 0.288 739 D C 1.108 177.639 176.300 0.385 0.000 1.195 739 D CA -0.130 54.065 54.000 0.326 0.000 1.095 739 D CB -0.194 40.814 40.800 0.347 0.000 1.153 739 D HN 0.398 nan 8.370 nan 0.000 0.568 740 H N -1.524 117.712 119.070 0.277 0.000 2.518 740 H HA 0.125 4.681 4.556 -0.000 0.000 0.289 740 H C 1.694 177.279 175.328 0.428 0.000 1.051 740 H CA 1.607 57.844 56.048 0.315 0.000 1.280 740 H CB -0.349 29.570 29.762 0.263 0.000 1.380 740 H HN 0.466 nan 8.280 nan 0.000 0.566 741 G N -0.697 108.291 108.800 0.314 0.000 3.044 741 G HA2 0.108 4.068 3.960 -0.000 0.000 0.223 741 G HA3 0.108 4.068 3.960 -0.000 0.000 0.223 741 G C 0.449 175.575 174.900 0.377 0.000 1.123 741 G CA 0.082 45.313 45.100 0.219 0.000 0.765 741 G HN 0.423 nan 8.290 nan 0.000 0.546 742 I N 0.475 121.257 120.570 0.353 0.000 3.775 742 I HA -0.336 3.834 4.170 -0.000 0.000 0.126 742 I C 1.567 177.824 176.117 0.233 0.000 1.037 742 I CA 0.178 61.618 61.300 0.233 0.000 2.738 742 I CB -0.913 37.161 38.000 0.123 0.000 1.374 742 I HN 0.250 nan 8.210 nan 0.000 0.342 743 A N 2.257 125.189 122.820 0.187 0.000 2.229 743 A HA 0.223 4.542 4.320 -0.000 0.000 0.211 743 A C 1.236 178.893 177.584 0.123 0.000 1.193 743 A CA 0.594 52.720 52.037 0.149 0.000 0.879 743 A CB 0.178 19.231 19.000 0.089 0.000 0.911 743 A HN 0.703 nan 8.150 nan 0.000 0.492 744 S N 0.212 115.987 115.700 0.126 0.000 2.553 744 S HA -0.006 4.463 4.470 -0.000 0.000 0.293 744 S C 1.130 175.798 174.600 0.112 0.000 1.296 744 S CA 0.457 58.723 58.200 0.109 0.000 1.046 744 S CB 0.624 63.892 63.200 0.113 0.000 0.810 744 S HN 0.521 nan 8.310 nan 0.000 0.505 745 S N 2.402 118.154 115.700 0.086 0.000 2.374 745 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 745 S C 2.045 176.717 174.600 0.120 0.000 1.037 745 S CA 2.100 60.353 58.200 0.088 0.000 1.024 745 S CB -1.404 61.826 63.200 0.050 0.000 0.861 745 S HN 1.029 nan 8.310 nan 0.000 0.456 746 T N -0.083 114.528 114.554 0.095 0.000 2.851 746 T HA 0.246 4.596 4.350 -0.000 0.000 0.262 746 T C 2.010 176.774 174.700 0.106 0.000 1.043 746 T CA 1.092 63.249 62.100 0.094 0.000 1.140 746 T CB -0.855 68.058 68.868 0.076 0.000 0.872 746 T HN 0.434 nan 8.240 nan 0.000 0.446 747 A N 1.960 124.824 122.820 0.072 0.000 1.858 747 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 747 A C 2.186 179.737 177.584 -0.054 0.000 1.190 747 A CA 2.180 54.194 52.037 -0.039 0.000 0.617 747 A CB -1.436 17.505 19.000 -0.098 0.000 0.827 747 A HN 0.732 nan 8.150 nan 0.000 0.443 748 H N -0.081 118.982 119.070 -0.011 0.000 2.292 748 H HA -0.227 4.328 4.556 -0.000 0.000 0.292 748 H C 2.126 177.532 175.328 0.131 0.000 1.100 748 H CA 2.609 58.705 56.048 0.081 0.000 1.238 748 H CB -0.241 29.575 29.762 0.089 0.000 1.355 748 H HN 0.610 nan 8.280 nan 0.000 0.484 749 Q N -1.093 118.706 119.800 -0.000 0.000 2.046 749 Q HA -0.195 4.144 4.340 -0.000 0.000 0.200 749 Q C 2.339 178.322 176.000 -0.028 0.000 0.975 749 Q CA 1.319 57.096 55.803 -0.043 0.000 0.836 749 Q CB -0.321 28.436 28.738 0.031 0.000 0.896 749 Q HN 0.648 nan 8.270 nan 0.000 0.428 750 H N 1.037 120.073 119.070 -0.057 0.000 2.319 750 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 750 H C 2.060 177.357 175.328 -0.051 0.000 1.092 750 H CA 1.502 57.540 56.048 -0.017 0.000 1.302 750 H CB -0.215 29.586 29.762 0.066 0.000 1.373 750 H HN 0.258 nan 8.280 nan 0.000 0.497 751 I N 0.130 120.670 120.570 -0.049 0.000 2.099 751 I HA -0.366 3.803 4.170 -0.000 0.000 0.239 751 I C 1.927 177.828 176.117 -0.361 0.000 1.066 751 I CA 1.503 62.667 61.300 -0.226 0.000 1.324 751 I CB -0.401 37.251 38.000 -0.579 0.000 1.037 751 I HN 0.149 nan 8.210 nan 0.000 0.401 752 Y N 0.885 120.995 120.300 -0.316 0.000 2.365 752 Y HA -0.258 4.291 4.550 -0.000 0.000 0.287 752 Y C 2.645 178.418 175.900 -0.212 0.000 1.162 752 Y CA 1.864 59.722 58.100 -0.403 0.000 1.260 752 Y CB -0.819 37.432 38.460 -0.348 0.000 0.976 752 Y HN 0.236 nan 8.280 nan 0.000 0.548 753 T N -2.474 112.021 114.554 -0.099 0.000 3.009 753 T HA -0.102 4.248 4.350 -0.000 0.000 0.258 753 T C 1.497 176.054 174.700 -0.237 0.000 1.063 753 T CA 1.090 63.070 62.100 -0.199 0.000 1.139 753 T CB -0.200 68.537 68.868 -0.218 0.000 0.890 753 T HN 0.366 nan 8.240 nan 0.000 0.471 754 H N 1.369 120.329 119.070 -0.184 0.000 2.357 754 H HA 0.171 4.727 4.556 -0.000 0.000 0.301 754 H C 2.034 177.364 175.328 0.003 0.000 1.082 754 H CA 1.501 57.532 56.048 -0.028 0.000 1.342 754 H CB -0.237 29.551 29.762 0.044 0.000 1.389 754 H HN 0.254 nan 8.280 nan 0.000 0.511 755 M N -0.871 118.654 119.600 -0.124 0.000 2.175 755 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 755 M C 2.381 178.765 176.300 0.139 0.000 1.063 755 M CA 1.428 56.632 55.300 -0.160 0.000 1.119 755 M CB 0.082 32.360 32.600 -0.536 0.000 1.377 755 M HN 0.130 nan 8.290 nan 0.000 0.415 756 S N -0.612 115.202 115.700 0.189 0.000 2.382 756 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 756 S C 1.725 176.422 174.600 0.162 0.000 1.027 756 S CA 0.981 59.381 58.200 0.334 0.000 0.991 756 S CB -0.529 62.835 63.200 0.273 0.000 0.823 756 S HN 0.470 nan 8.310 nan 0.000 0.469 757 H N -0.040 119.113 119.070 0.139 0.000 2.357 757 H HA 0.025 4.581 4.556 -0.000 0.000 0.301 757 H C 1.919 177.261 175.328 0.024 0.000 1.082 757 H CA 0.995 57.084 56.048 0.067 0.000 1.342 757 H CB -0.829 28.957 29.762 0.040 0.000 1.389 757 H HN 0.441 nan 8.280 nan 0.000 0.511 758 F N 1.348 121.303 119.950 0.008 0.000 2.192 758 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 758 F C 2.036 177.784 175.800 -0.087 0.000 1.079 758 F CA 0.983 58.942 58.000 -0.069 0.000 1.303 758 F CB -0.078 38.841 39.000 -0.135 0.000 1.024 758 F HN -0.007 nan 8.300 nan 0.000 0.494 759 I N -0.079 120.494 120.570 0.006 0.000 2.400 759 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 759 I C 2.200 178.122 176.117 -0.325 0.000 1.109 759 I CA 1.026 62.170 61.300 -0.259 0.000 1.425 759 I CB -1.278 36.657 38.000 -0.109 0.000 1.094 759 I HN 0.093 nan 8.210 nan 0.000 0.425 760 K N 0.543 120.898 120.400 -0.074 0.000 2.147 760 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 760 K C 2.025 178.617 176.600 -0.014 0.000 1.049 760 K CA 0.939 57.231 56.287 0.007 0.000 0.936 760 K CB -0.089 32.471 32.500 0.100 0.000 0.722 760 K HN 0.369 nan 8.250 nan 0.000 0.446 761 Q N 0.877 120.636 119.800 -0.069 0.000 2.016 761 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 761 Q C 2.335 178.257 176.000 -0.130 0.000 0.978 761 Q CA 1.495 57.243 55.803 -0.091 0.000 0.833 761 Q CB -0.414 28.251 28.738 -0.121 0.000 0.895 761 Q HN 0.358 nan 8.270 nan 0.000 0.427 762 c N 0.460 118.886 118.600 -0.290 0.000 2.413 762 c HA -0.119 4.451 4.570 -0.000 0.000 0.277 762 c C 2.013 176.156 174.090 0.089 0.000 1.265 762 c CA 0.484 56.672 56.329 -0.236 0.000 1.752 762 c CB -1.288 40.940 42.510 -0.471 0.000 1.998 762 c HN 0.517 nan 8.230 nan 0.000 0.489 763 F N 2.395 122.325 119.950 -0.034 0.000 2.664 763 F HA 0.234 4.761 4.527 -0.000 0.000 0.301 763 F C 1.624 177.415 175.800 -0.014 0.000 1.126 763 F CA 0.229 58.224 58.000 -0.010 0.000 1.373 763 F CB -1.521 37.480 39.000 0.002 0.000 1.042 763 F HN 0.389 nan 8.300 nan 0.000 0.535 764 S N 0.553 116.337 115.700 0.141 0.000 3.415 764 S HA -0.211 4.259 4.470 -0.000 0.000 0.257 764 S C 0.848 175.491 174.600 0.073 0.000 0.773 764 S CA 0.027 58.272 58.200 0.074 0.000 1.382 764 S CB -1.115 62.116 63.200 0.051 0.000 1.146 764 S HN 0.238 nan 8.310 nan 0.000 0.432 765 L N 1.948 123.216 121.223 0.076 0.000 2.189 765 L HA 0.295 4.634 4.340 -0.000 0.000 0.199 765 L C 0.277 177.168 176.870 0.035 0.000 1.074 765 L CA 0.927 55.800 54.840 0.056 0.000 0.783 765 L CB -3.200 38.898 42.059 0.066 0.000 0.955 765 L HN 0.650 nan 8.230 nan 0.000 0.460 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.130 63.100 0.050 0.000 0.800 766 P CB 0.000 31.722 31.700 0.037 0.000 0.726