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 1nu8_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.643 174.600 0.071 0.000 1.055 39 S CA 0.000 58.240 58.200 0.067 0.000 1.107 39 S CB 0.000 63.230 63.200 0.049 0.000 0.593 40 R N 2.959 123.508 120.500 0.081 0.000 2.726 40 R HA 0.407 4.747 4.340 -0.000 0.000 0.272 40 R C 0.205 176.556 176.300 0.084 0.000 1.097 40 R CA -0.030 56.115 56.100 0.076 0.000 1.198 40 R CB 0.265 30.608 30.300 0.071 0.000 1.114 40 R HN 0.538 nan 8.270 nan 0.000 0.550 41 K N -0.236 120.219 120.400 0.091 0.000 2.380 41 K HA 0.083 4.403 4.320 -0.000 0.000 0.267 41 K C -0.260 176.410 176.600 0.117 0.000 0.990 41 K CA -0.179 56.172 56.287 0.107 0.000 0.946 41 K CB 0.607 33.184 32.500 0.129 0.000 0.937 41 K HN 0.267 nan 8.250 nan 0.000 0.491 42 T N 0.840 115.471 114.554 0.128 0.000 2.881 42 T HA 0.093 4.443 4.350 -0.000 0.000 0.278 42 T C -1.220 173.615 174.700 0.224 0.000 0.982 42 T CA -0.496 61.691 62.100 0.145 0.000 0.989 42 T CB 0.221 69.164 68.868 0.124 0.000 1.058 42 T HN 0.454 nan 8.240 nan 0.000 0.529 43 Y N 2.625 123.000 120.300 0.125 0.000 2.393 43 Y HA 0.374 4.924 4.550 -0.000 0.000 0.338 43 Y C 0.877 176.950 175.900 0.289 0.000 1.029 43 Y CA -0.329 57.894 58.100 0.204 0.000 1.239 43 Y CB 0.162 38.714 38.460 0.152 0.000 1.170 43 Y HN 0.656 nan 8.280 nan 0.000 0.515 44 T N 2.859 117.396 114.554 -0.029 0.000 2.949 44 T HA 0.219 4.569 4.350 -0.000 0.000 0.287 44 T C 0.726 175.390 174.700 -0.061 0.000 1.034 44 T CA -0.901 61.292 62.100 0.154 0.000 1.018 44 T CB 1.334 70.238 68.868 0.061 0.000 1.135 44 T HN 0.609 nan 8.240 nan 0.000 0.532 45 L N 1.141 122.175 121.223 -0.314 0.000 2.012 45 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 45 L C 2.592 179.318 176.870 -0.240 0.000 1.073 45 L CA 2.304 56.801 54.840 -0.572 0.000 0.748 45 L CB -1.691 39.949 42.059 -0.698 0.000 0.891 45 L HN 0.983 nan 8.230 nan 0.000 0.431 46 T N -0.237 114.204 114.554 -0.189 0.000 2.607 46 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 46 T C 1.544 176.133 174.700 -0.186 0.000 1.049 46 T CA 1.744 63.752 62.100 -0.155 0.000 1.162 46 T CB -0.467 68.339 68.868 -0.105 0.000 0.863 46 T HN 0.452 nan 8.240 nan 0.000 0.424 47 D N -0.133 120.119 120.400 -0.248 0.000 2.149 47 D HA -0.133 4.506 4.640 -0.000 0.000 0.194 47 D C 1.804 177.968 176.300 -0.227 0.000 1.001 47 D CA 1.276 55.070 54.000 -0.343 0.000 0.849 47 D CB -0.342 40.119 40.800 -0.566 0.000 0.939 47 D HN 0.432 nan 8.370 nan 0.000 0.449 48 Y N 1.617 121.718 120.300 -0.332 0.000 2.092 48 Y HA -0.188 4.362 4.550 -0.000 0.000 0.282 48 Y C 2.124 177.997 175.900 -0.044 0.000 1.126 48 Y CA 1.018 59.091 58.100 -0.045 0.000 1.111 48 Y CB -0.701 37.792 38.460 0.055 0.000 0.987 48 Y HN -0.163 nan 8.280 nan 0.000 0.489 49 L N 0.882 121.849 121.223 -0.428 0.000 2.079 49 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 49 L C 2.182 178.909 176.870 -0.237 0.000 1.081 49 L CA 1.751 56.313 54.840 -0.463 0.000 0.752 49 L CB -1.235 40.626 42.059 -0.329 0.000 0.896 49 L HN 0.224 nan 8.230 nan 0.000 0.433 50 K N -0.455 119.841 120.400 -0.173 0.000 2.417 50 K HA 0.045 4.365 4.320 -0.000 0.000 0.196 50 K C 0.276 176.816 176.600 -0.101 0.000 1.023 50 K CA -0.090 56.125 56.287 -0.120 0.000 1.122 50 K CB -0.148 32.282 32.500 -0.116 0.000 0.850 50 K HN 0.315 nan 8.250 nan 0.000 0.521 51 N N 1.168 119.816 118.700 -0.086 0.000 2.705 51 N HA -0.218 4.521 4.740 -0.000 0.000 0.255 51 N C 0.047 175.530 175.510 -0.046 0.000 1.008 51 N CA 0.233 53.272 53.050 -0.020 0.000 0.742 51 N CB -0.292 38.192 38.487 -0.006 0.000 0.906 51 N HN 0.156 nan 8.380 nan 0.000 0.541 52 T N -0.059 114.409 114.554 -0.144 0.000 2.668 52 T HA -0.149 4.201 4.350 -0.000 0.000 0.262 52 T C 0.230 174.759 174.700 -0.285 0.000 1.045 52 T CA 1.277 63.181 62.100 -0.328 0.000 1.152 52 T CB -0.143 68.353 68.868 -0.620 0.000 0.864 52 T HN 0.332 nan 8.240 nan 0.000 0.419 53 Y N 2.628 123.024 120.300 0.159 0.000 2.504 53 Y HA 0.391 4.941 4.550 -0.000 0.000 0.351 53 Y C 0.629 176.638 175.900 0.182 0.000 0.988 53 Y CA -0.809 57.406 58.100 0.192 0.000 1.239 53 Y CB -0.070 38.562 38.460 0.286 0.000 1.128 53 Y HN -0.050 nan 8.280 nan 0.000 0.525 54 R N 3.884 124.529 120.500 0.241 0.000 2.346 54 R HA 0.470 4.810 4.340 -0.000 0.000 0.311 54 R C -0.835 175.573 176.300 0.180 0.000 0.983 54 R CA -0.891 55.314 56.100 0.176 0.000 0.880 54 R CB 1.430 31.795 30.300 0.107 0.000 1.100 54 R HN 0.598 nan 8.270 nan 0.000 0.453 55 L N 3.445 124.776 121.223 0.181 0.000 2.410 55 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 55 L C 0.541 177.487 176.870 0.127 0.000 1.152 55 L CA 0.228 55.170 54.840 0.170 0.000 0.855 55 L CB 0.294 42.471 42.059 0.197 0.000 1.129 55 L HN 0.351 nan 8.230 nan 0.000 0.463 56 K N 4.336 124.805 120.400 0.114 0.000 2.172 56 K HA 0.584 4.904 4.320 -0.000 0.000 0.276 56 K C -0.690 175.937 176.600 0.045 0.000 1.013 56 K CA -0.560 55.771 56.287 0.073 0.000 0.913 56 K CB 1.574 34.114 32.500 0.066 0.000 1.055 56 K HN 0.400 nan 8.250 nan 0.000 0.461 57 L N 1.661 122.854 121.223 -0.051 0.000 2.298 57 L HA 0.456 4.796 4.340 -0.000 0.000 0.268 57 L C -0.878 175.752 176.870 -0.400 0.000 1.010 57 L CA -0.987 53.707 54.840 -0.243 0.000 0.812 57 L CB 0.807 42.813 42.059 -0.088 0.000 1.331 57 L HN 0.523 nan 8.230 nan 0.000 0.450 58 Y N 0.230 120.006 120.300 -0.872 0.000 2.517 58 Y HA 0.318 4.868 4.550 -0.000 0.000 0.346 58 Y C -0.685 174.993 175.900 -0.369 0.000 1.113 58 Y CA -0.597 57.143 58.100 -0.599 0.000 1.295 58 Y CB 1.226 39.216 38.460 -0.783 0.000 1.094 58 Y HN 0.400 nan 8.280 nan 0.000 0.608 59 S N 6.147 121.757 115.700 -0.150 0.000 2.422 59 S HA 0.482 4.952 4.470 -0.000 0.000 0.283 59 S C -0.399 174.167 174.600 -0.056 0.000 1.163 59 S CA -0.543 57.622 58.200 -0.058 0.000 1.054 59 S CB -0.153 63.030 63.200 -0.029 0.000 0.967 59 S HN 0.622 nan 8.310 nan 0.000 0.499 60 L N 2.592 123.739 121.223 -0.127 0.000 2.333 60 L HA 0.753 5.093 4.340 -0.000 0.000 0.269 60 L C -0.919 175.848 176.870 -0.173 0.000 1.010 60 L CA -1.035 53.671 54.840 -0.223 0.000 0.818 60 L CB 1.576 43.213 42.059 -0.704 0.000 1.306 60 L HN 0.433 nan 8.230 nan 0.000 0.430 61 R N 2.727 123.183 120.500 -0.074 0.000 2.371 61 R HA 0.343 4.683 4.340 -0.000 0.000 0.312 61 R C -1.494 174.848 176.300 0.071 0.000 0.980 61 R CA -0.409 55.700 56.100 0.016 0.000 0.867 61 R CB 0.973 31.326 30.300 0.089 0.000 1.163 61 R HN 0.633 nan 8.270 nan 0.000 0.492 62 W N 3.315 124.708 121.300 0.155 0.000 2.343 62 W HA -0.048 4.612 4.660 -0.000 0.000 0.337 62 W C 1.091 177.696 176.519 0.143 0.000 1.320 62 W CA -0.041 57.411 57.345 0.179 0.000 1.290 62 W CB 0.293 29.854 29.460 0.167 0.000 1.206 62 W HN 0.559 nan 8.180 nan 0.000 0.565 63 I N 2.655 123.468 120.570 0.404 0.000 4.240 63 I HA 0.087 4.257 4.170 -0.000 0.000 0.331 63 I C 0.368 176.605 176.117 0.200 0.000 1.381 63 I CA 0.440 61.874 61.300 0.223 0.000 1.136 63 I CB -0.180 37.886 38.000 0.110 0.000 1.137 63 I HN 0.359 nan 8.210 nan 0.000 0.411 64 S N -1.477 114.382 115.700 0.264 0.000 2.654 64 S HA 0.133 4.603 4.470 -0.000 0.000 0.267 64 S C -0.145 174.610 174.600 0.258 0.000 1.151 64 S CA -0.016 58.324 58.200 0.234 0.000 0.873 64 S CB 0.046 63.387 63.200 0.234 0.000 1.181 64 S HN 0.075 nan 8.310 nan 0.000 0.489 65 D N 0.270 120.831 120.400 0.267 0.000 2.347 65 D HA 0.000 4.640 4.640 -0.000 0.000 0.215 65 D C 1.036 177.552 176.300 0.360 0.000 0.976 65 D CA 1.774 55.907 54.000 0.221 0.000 0.884 65 D CB -0.813 40.100 40.800 0.188 0.000 0.915 65 D HN 0.978 nan 8.370 nan 0.000 0.526 66 H N -2.793 116.423 119.070 0.245 0.000 3.680 66 H HA 0.444 5.000 4.556 -0.000 0.000 0.260 66 H C -0.186 175.280 175.328 0.231 0.000 1.183 66 H CA -0.631 55.546 56.048 0.215 0.000 1.159 66 H CB 0.405 30.276 29.762 0.182 0.000 1.567 66 H HN -0.071 nan 8.280 nan 0.000 0.648 67 E N 1.111 121.313 120.200 0.004 0.000 2.288 67 E HA 0.326 4.676 4.350 -0.000 0.000 0.268 67 E C -1.652 175.116 176.600 0.281 0.000 0.885 67 E CA -1.465 54.915 56.400 -0.033 0.000 0.767 67 E CB 2.667 32.200 29.700 -0.277 0.000 1.220 67 E HN 0.374 nan 8.360 nan 0.000 0.427 68 Y N -0.537 119.802 120.300 0.065 0.000 2.553 68 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 68 Y C -1.597 174.321 175.900 0.030 0.000 1.019 68 Y CA -1.305 56.770 58.100 -0.043 0.000 1.032 68 Y CB 0.748 38.914 38.460 -0.489 0.000 1.284 68 Y HN 0.361 nan 8.280 nan 0.000 0.466 69 L N 3.581 124.954 121.223 0.251 0.000 2.350 69 L HA 0.437 4.777 4.340 -0.000 0.000 0.275 69 L C -1.238 175.863 176.870 0.385 0.000 1.099 69 L CA -0.743 54.221 54.840 0.206 0.000 0.808 69 L CB 1.132 43.239 42.059 0.080 0.000 1.149 69 L HN 0.794 nan 8.230 nan 0.000 0.442 70 Y N 2.880 123.285 120.300 0.176 0.000 2.390 70 Y HA 0.247 4.797 4.550 -0.000 0.000 0.324 70 Y C -0.841 175.109 175.900 0.083 0.000 1.151 70 Y CA -1.570 56.586 58.100 0.093 0.000 1.053 70 Y CB 1.291 39.806 38.460 0.092 0.000 1.277 70 Y HN 0.516 nan 8.280 nan 0.000 0.432 71 K N 5.861 125.956 120.400 -0.508 0.000 2.262 71 K HA 0.494 4.814 4.320 -0.000 0.000 0.282 71 K C -1.232 174.887 176.600 -0.802 0.000 1.066 71 K CA -0.498 55.525 56.287 -0.441 0.000 0.901 71 K CB 1.280 33.679 32.500 -0.168 0.000 1.089 71 K HN 0.762 nan 8.250 nan 0.000 0.476 72 Q N 3.577 123.096 119.800 -0.469 0.000 2.321 72 Q HA 0.106 4.446 4.340 -0.000 0.000 0.270 72 Q C -0.939 174.981 176.000 -0.134 0.000 1.032 72 Q CA -0.313 55.302 55.803 -0.313 0.000 0.784 72 Q CB 1.337 30.030 28.738 -0.075 0.000 1.264 72 Q HN 0.883 nan 8.270 nan 0.000 0.448 73 E N 2.842 122.982 120.200 -0.100 0.000 2.494 73 E HA -0.364 3.986 4.350 -0.000 0.000 0.249 73 E C -0.471 176.090 176.600 -0.065 0.000 1.184 73 E CA 0.878 57.243 56.400 -0.059 0.000 0.727 73 E CB -1.165 28.518 29.700 -0.028 0.000 1.281 73 E HN 0.975 nan 8.360 nan 0.000 0.405 74 N N -1.009 117.638 118.700 -0.089 0.000 2.909 74 N HA -0.164 4.576 4.740 -0.000 0.000 0.242 74 N C -0.786 174.676 175.510 -0.079 0.000 0.975 74 N CA 1.316 54.321 53.050 -0.075 0.000 0.921 74 N CB -0.554 37.905 38.487 -0.047 0.000 1.112 74 N HN 0.370 nan 8.380 nan 0.000 0.581 75 N N 0.779 119.428 118.700 -0.085 0.000 2.498 75 N HA 0.343 5.083 4.740 -0.000 0.000 0.287 75 N C -0.133 175.328 175.510 -0.082 0.000 1.097 75 N CA -0.191 52.813 53.050 -0.077 0.000 0.973 75 N CB 1.140 39.592 38.487 -0.059 0.000 1.153 75 N HN 0.152 nan 8.380 nan 0.000 0.472 76 I N 2.637 123.166 120.570 -0.068 0.000 2.352 76 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 76 I C 0.105 176.256 176.117 0.057 0.000 1.036 76 I CA -0.202 61.077 61.300 -0.035 0.000 1.336 76 I CB 0.311 38.251 38.000 -0.100 0.000 1.407 76 I HN 0.183 nan 8.210 nan 0.000 0.497 77 L N 6.564 127.833 121.223 0.077 0.000 2.334 77 L HA 0.646 4.986 4.340 -0.000 0.000 0.273 77 L C -0.478 176.443 176.870 0.086 0.000 1.013 77 L CA -1.161 53.719 54.840 0.066 0.000 0.816 77 L CB 1.943 44.026 42.059 0.040 0.000 1.278 77 L HN 0.212 nan 8.230 nan 0.000 0.431 78 V N 1.856 121.752 119.914 -0.031 0.000 2.394 78 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 78 V C -0.484 175.459 176.094 -0.251 0.000 1.031 78 V CA -0.267 61.991 62.300 -0.069 0.000 0.881 78 V CB 1.338 33.140 31.823 -0.034 0.000 0.982 78 V HN 0.352 nan 8.190 nan 0.000 0.451 79 F N 2.803 122.447 119.950 -0.510 0.000 2.458 79 F HA 0.416 4.943 4.527 -0.000 0.000 0.330 79 F C 0.654 176.157 175.800 -0.495 0.000 1.082 79 F CA -0.681 56.950 58.000 -0.615 0.000 0.995 79 F CB 1.297 39.591 39.000 -1.176 0.000 1.170 79 F HN 0.407 nan 8.300 nan 0.000 0.478 80 N N 1.781 120.410 118.700 -0.119 0.000 2.422 80 N HA 0.216 4.956 4.740 -0.000 0.000 0.264 80 N C 0.535 176.008 175.510 -0.061 0.000 1.063 80 N CA 0.167 53.181 53.050 -0.060 0.000 0.959 80 N CB 1.677 40.207 38.487 0.071 0.000 1.087 80 N HN 0.818 nan 8.380 nan 0.000 0.483 81 A N 3.825 126.562 122.820 -0.137 0.000 1.902 81 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 81 A C 1.910 179.269 177.584 -0.376 0.000 1.181 81 A CA 1.377 53.263 52.037 -0.250 0.000 0.623 81 A CB -0.402 18.230 19.000 -0.615 0.000 0.818 81 A HN 0.775 nan 8.150 nan 0.000 0.443 82 E N -0.610 119.309 120.200 -0.469 0.000 2.017 82 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 82 E C 1.554 177.851 176.600 -0.505 0.000 0.997 82 E CA 1.926 57.993 56.400 -0.554 0.000 0.804 82 E CB -0.444 28.771 29.700 -0.807 0.000 0.757 82 E HN 0.705 nan 8.360 nan 0.000 0.448 83 Y N -1.899 118.408 120.300 0.011 0.000 2.509 83 Y HA 0.361 4.911 4.550 -0.000 0.000 0.270 83 Y C 1.652 177.563 175.900 0.018 0.000 1.103 83 Y CA 0.449 58.560 58.100 0.019 0.000 1.278 83 Y CB 0.647 39.120 38.460 0.021 0.000 1.087 83 Y HN 0.238 nan 8.280 nan 0.000 0.542 84 G N 0.617 109.498 108.800 0.135 0.000 2.163 84 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.213 84 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.213 84 G C -0.121 174.868 174.900 0.150 0.000 0.991 84 G CA 0.011 45.195 45.100 0.140 0.000 0.653 84 G HN 0.436 nan 8.290 nan 0.000 0.518 85 N N 0.431 119.175 118.700 0.072 0.000 2.495 85 N HA 0.709 5.449 4.740 -0.000 0.000 0.280 85 N C -0.156 175.216 175.510 -0.230 0.000 1.168 85 N CA 0.448 53.471 53.050 -0.044 0.000 0.978 85 N CB 1.757 40.233 38.487 -0.018 0.000 1.191 85 N HN 0.748 nan 8.380 nan 0.000 0.497 86 S N -0.741 114.733 115.700 -0.378 0.000 2.564 86 S HA 0.689 5.158 4.470 -0.000 0.000 0.274 86 S C -0.908 173.477 174.600 -0.359 0.000 1.124 86 S CA -0.834 56.983 58.200 -0.639 0.000 0.869 86 S CB 1.376 63.783 63.200 -1.322 0.000 1.105 86 S HN 0.636 nan 8.310 nan 0.000 0.472 87 S N 0.383 115.908 115.700 -0.292 0.000 2.677 87 S HA 0.717 5.187 4.470 -0.000 0.000 0.304 87 S C -0.799 173.726 174.600 -0.125 0.000 1.108 87 S CA -0.818 57.284 58.200 -0.162 0.000 0.944 87 S CB 1.701 64.843 63.200 -0.097 0.000 1.127 87 S HN 1.136 nan 8.310 nan 0.000 0.511 88 V N 2.509 122.376 119.914 -0.078 0.000 2.364 88 V HA 0.438 4.558 4.120 -0.000 0.000 0.272 88 V C 0.167 176.261 176.094 -0.000 0.000 1.036 88 V CA -0.336 61.940 62.300 -0.041 0.000 0.880 88 V CB 0.280 32.065 31.823 -0.064 0.000 0.991 88 V HN 0.890 nan 8.190 nan 0.000 0.460 89 F N 6.149 126.042 119.950 -0.095 0.000 2.074 89 F HA 0.317 4.844 4.527 -0.000 0.000 0.293 89 F C 0.689 176.437 175.800 -0.087 0.000 1.116 89 F CA 1.279 59.231 58.000 -0.080 0.000 1.212 89 F CB 0.447 39.407 39.000 -0.066 0.000 0.998 89 F HN 0.356 nan 8.300 nan 0.000 0.471 90 L N 1.715 122.974 121.223 0.061 0.000 2.441 90 L HA 0.284 4.624 4.340 -0.000 0.000 0.270 90 L C -1.142 175.674 176.870 -0.089 0.000 0.973 90 L CA -0.673 54.129 54.840 -0.063 0.000 0.842 90 L CB 1.558 43.625 42.059 0.012 0.000 1.239 90 L HN 0.062 nan 8.230 nan 0.000 0.406 91 E N 2.007 122.125 120.200 -0.137 0.000 2.398 91 E HA -0.004 4.346 4.350 -0.000 0.000 0.263 91 E C 0.914 177.436 176.600 -0.130 0.000 1.046 91 E CA -0.117 56.206 56.400 -0.128 0.000 0.908 91 E CB 0.439 30.055 29.700 -0.140 0.000 0.963 91 E HN 0.581 nan 8.360 nan 0.000 0.431 92 N N 1.113 119.755 118.700 -0.096 0.000 2.289 92 N HA -0.230 4.510 4.740 -0.000 0.000 0.184 92 N C 1.114 176.575 175.510 -0.082 0.000 1.016 92 N CA 1.472 54.476 53.050 -0.077 0.000 0.872 92 N CB -0.476 37.976 38.487 -0.059 0.000 0.973 92 N HN 0.423 nan 8.380 nan 0.000 0.433 93 S N -1.006 114.632 115.700 -0.104 0.000 2.383 93 S HA -0.069 4.401 4.470 -0.000 0.000 0.227 93 S C 0.794 175.289 174.600 -0.174 0.000 1.026 93 S CA 0.437 58.571 58.200 -0.110 0.000 0.981 93 S CB -1.332 61.805 63.200 -0.105 0.000 0.818 93 S HN 0.290 nan 8.310 nan 0.000 0.472 94 T N 3.416 117.794 114.554 -0.293 0.000 2.905 94 T HA 0.233 4.583 4.350 -0.000 0.000 0.299 94 T C -0.399 173.968 174.700 -0.556 0.000 1.024 94 T CA 0.254 61.983 62.100 -0.619 0.000 1.151 94 T CB -0.778 67.537 68.868 -0.922 0.000 0.987 94 T HN 0.410 nan 8.240 nan 0.000 0.535 95 F N 1.736 121.578 119.950 -0.180 0.000 2.563 95 F HA -0.134 4.393 4.527 -0.000 0.000 0.351 95 F C 0.360 176.138 175.800 -0.037 0.000 1.086 95 F CA -0.208 57.724 58.000 -0.113 0.000 1.174 95 F CB -2.148 36.664 39.000 -0.314 0.000 1.590 95 F HN 0.610 nan 8.300 nan 0.000 0.808 96 D N -0.224 120.232 120.400 0.093 0.000 2.502 96 D HA 0.049 4.689 4.640 -0.000 0.000 0.232 96 D C 1.645 177.978 176.300 0.056 0.000 1.137 96 D CA 0.552 54.588 54.000 0.061 0.000 0.827 96 D CB 0.256 41.058 40.800 0.004 0.000 1.141 96 D HN 0.718 nan 8.370 nan 0.000 0.517 97 E N -0.647 119.600 120.200 0.077 0.000 2.526 97 E HA 0.033 4.383 4.350 -0.000 0.000 0.208 97 E C 0.973 177.618 176.600 0.075 0.000 0.997 97 E CA -0.178 56.250 56.400 0.046 0.000 0.961 97 E CB 0.244 29.958 29.700 0.023 0.000 1.030 97 E HN 0.046 nan 8.360 nan 0.000 0.483 98 F N 0.619 120.575 119.950 0.009 0.000 2.365 98 F HA 0.084 4.611 4.527 -0.000 0.000 0.300 98 F C 1.554 177.253 175.800 -0.169 0.000 1.090 98 F CA 1.990 59.995 58.000 0.007 0.000 1.408 98 F CB 0.164 39.248 39.000 0.140 0.000 1.060 98 F HN 0.174 nan 8.300 nan 0.000 0.534 99 G N -0.461 108.161 108.800 -0.297 0.000 2.217 99 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.246 99 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.246 99 G C -0.051 174.394 174.900 -0.759 0.000 0.990 99 G CA 0.302 45.066 45.100 -0.560 0.000 0.627 99 G HN 0.617 nan 8.290 nan 0.000 0.522 100 H N 0.087 119.017 119.070 -0.232 0.000 2.768 100 H HA 0.651 5.207 4.556 -0.000 0.000 0.371 100 H C 0.232 175.621 175.328 0.101 0.000 1.151 100 H CA -0.113 55.875 56.048 -0.099 0.000 1.165 100 H CB 1.784 31.368 29.762 -0.297 0.000 1.722 100 H HN 0.412 nan 8.280 nan 0.000 0.543 101 S N 2.411 118.233 115.700 0.205 0.000 2.565 101 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 101 S C -0.100 174.600 174.600 0.166 0.000 1.309 101 S CA -0.669 57.622 58.200 0.153 0.000 1.043 101 S CB 0.250 63.509 63.200 0.099 0.000 0.939 101 S HN 0.508 nan 8.310 nan 0.000 0.504 102 I N 3.777 124.408 120.570 0.102 0.000 2.355 102 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 102 I C 1.446 177.581 176.117 0.030 0.000 0.999 102 I CA -0.582 60.761 61.300 0.071 0.000 1.163 102 I CB 1.284 39.261 38.000 -0.039 0.000 1.316 102 I HN 0.845 nan 8.210 nan 0.000 0.454 103 N N 3.983 122.685 118.700 0.004 0.000 2.216 103 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 103 N C 0.170 175.608 175.510 -0.120 0.000 1.017 103 N CA 1.441 54.431 53.050 -0.100 0.000 0.861 103 N CB 0.470 38.835 38.487 -0.204 0.000 0.986 103 N HN 0.635 nan 8.380 nan 0.000 0.428 104 D N -2.287 118.075 120.400 -0.063 0.000 2.692 104 D HA 0.251 4.890 4.640 -0.000 0.000 0.303 104 D C -1.507 174.839 176.300 0.077 0.000 1.278 104 D CA -0.386 53.575 54.000 -0.064 0.000 0.852 104 D CB 1.236 41.958 40.800 -0.132 0.000 1.375 104 D HN 0.090 nan 8.370 nan 0.000 0.453 105 Y N -1.533 118.793 120.300 0.043 0.000 2.670 105 Y HA 0.684 5.234 4.550 -0.000 0.000 0.334 105 Y C -1.320 174.670 175.900 0.149 0.000 1.185 105 Y CA -0.959 57.195 58.100 0.091 0.000 1.053 105 Y CB 1.351 39.843 38.460 0.053 0.000 1.298 105 Y HN 0.181 nan 8.280 nan 0.000 0.459 106 S N 1.649 117.631 115.700 0.471 0.000 2.592 106 S HA 0.668 5.138 4.470 -0.000 0.000 0.275 106 S C -1.734 173.233 174.600 0.611 0.000 1.169 106 S CA -0.560 57.911 58.200 0.453 0.000 0.958 106 S CB 0.441 63.850 63.200 0.348 0.000 1.095 106 S HN 0.772 nan 8.310 nan 0.000 0.471 107 I N 3.205 123.982 120.570 0.345 0.000 2.488 107 I HA 0.357 4.527 4.170 -0.000 0.000 0.299 107 I C 0.987 176.882 176.117 -0.370 0.000 0.984 107 I CA -0.534 60.826 61.300 0.100 0.000 1.250 107 I CB 1.839 39.853 38.000 0.024 0.000 1.389 107 I HN 0.610 nan 8.210 nan 0.000 0.488 108 S N 5.908 121.146 115.700 -0.770 0.000 2.550 108 S HA -0.014 4.456 4.470 -0.000 0.000 0.285 108 S C -1.540 172.805 174.600 -0.423 0.000 1.326 108 S CA -0.636 56.937 58.200 -1.045 0.000 1.037 108 S CB 0.486 63.292 63.200 -0.657 0.000 0.838 108 S HN 0.474 nan 8.310 nan 0.000 0.519 109 P HA 0.016 nan 4.420 nan 0.000 0.214 109 P C -0.370 176.881 177.300 -0.080 0.000 1.162 109 P CA 0.934 63.962 63.100 -0.120 0.000 0.874 109 P CB 0.072 31.722 31.700 -0.083 0.000 0.784 110 D N -0.395 119.950 120.400 -0.092 0.000 2.494 110 D HA 0.300 4.940 4.640 -0.000 0.000 0.217 110 D C 0.763 177.067 176.300 0.007 0.000 1.153 110 D CA -0.012 53.967 54.000 -0.035 0.000 0.954 110 D CB -0.611 40.148 40.800 -0.067 0.000 1.034 110 D HN -0.035 nan 8.370 nan 0.000 0.518 111 G N 1.754 110.572 108.800 0.031 0.000 3.197 111 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.257 111 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.257 111 G C 0.692 175.636 174.900 0.074 0.000 0.835 111 G CA -0.179 44.960 45.100 0.065 0.000 2.001 111 G HN 0.391 nan 8.290 nan 0.000 0.625 112 Q N -0.324 119.476 119.800 -0.001 0.000 2.352 112 Q HA 0.234 4.574 4.340 -0.000 0.000 0.212 112 Q C -0.370 175.275 176.000 -0.592 0.000 0.888 112 Q CA 0.314 55.966 55.803 -0.252 0.000 0.934 112 Q CB 0.851 29.433 28.738 -0.260 0.000 1.093 112 Q HN 0.561 nan 8.270 nan 0.000 0.523 113 F N 0.217 120.122 119.950 -0.076 0.000 2.577 113 F HA 0.523 5.050 4.527 -0.000 0.000 0.318 113 F C -0.428 175.448 175.800 0.127 0.000 1.065 113 F CA -1.221 56.797 58.000 0.031 0.000 0.929 113 F CB 1.923 40.999 39.000 0.127 0.000 1.237 113 F HN -0.164 nan 8.300 nan 0.000 0.468 114 I N 3.426 124.302 120.570 0.510 0.000 2.465 114 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 114 I C -1.511 174.958 176.117 0.585 0.000 1.014 114 I CA -0.790 60.822 61.300 0.520 0.000 1.093 114 I CB 1.604 39.851 38.000 0.412 0.000 1.267 114 I HN 0.487 nan 8.210 nan 0.000 0.431 115 L N 7.989 129.594 121.223 0.636 0.000 2.276 115 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 115 L C -0.983 176.073 176.870 0.309 0.000 1.061 115 L CA -0.662 54.427 54.840 0.415 0.000 0.807 115 L CB 1.161 43.393 42.059 0.288 0.000 1.177 115 L HN 0.529 nan 8.230 nan 0.000 0.429 116 L N 4.719 126.063 121.223 0.201 0.000 2.298 116 L HA 0.422 4.762 4.340 -0.000 0.000 0.284 116 L C 0.004 176.964 176.870 0.150 0.000 1.013 116 L CA -0.390 54.492 54.840 0.070 0.000 0.824 116 L CB 1.647 43.511 42.059 -0.326 0.000 1.221 116 L HN 0.564 nan 8.230 nan 0.000 0.418 117 E N 3.997 124.242 120.200 0.075 0.000 2.200 117 E HA 0.387 4.737 4.350 -0.000 0.000 0.283 117 E C -1.492 175.080 176.600 -0.047 0.000 1.015 117 E CA -0.446 55.823 56.400 -0.218 0.000 0.819 117 E CB 0.869 30.506 29.700 -0.104 0.000 1.081 117 E HN 0.472 nan 8.360 nan 0.000 0.397 118 Y N 1.847 121.984 120.300 -0.271 0.000 2.689 118 Y HA 0.418 4.968 4.550 -0.000 0.000 0.333 118 Y C -0.180 175.629 175.900 -0.151 0.000 1.190 118 Y CA -1.530 56.494 58.100 -0.127 0.000 1.063 118 Y CB 0.536 38.983 38.460 -0.020 0.000 1.294 118 Y HN 0.511 nan 8.280 nan 0.000 0.466 119 N N -0.183 118.509 118.700 -0.012 0.000 2.721 119 N HA -0.309 4.431 4.740 -0.000 0.000 0.249 119 N C -0.956 174.516 175.510 -0.063 0.000 1.072 119 N CA 1.095 54.094 53.050 -0.085 0.000 0.710 119 N CB -1.596 36.748 38.487 -0.238 0.000 0.993 119 N HN 0.874 nan 8.380 nan 0.000 0.547 120 Y N 0.189 120.411 120.300 -0.130 0.000 2.632 120 Y HA 0.251 4.801 4.550 -0.000 0.000 0.329 120 Y C -0.005 175.848 175.900 -0.078 0.000 1.174 120 Y CA -0.114 57.910 58.100 -0.128 0.000 1.469 120 Y CB 0.641 38.982 38.460 -0.199 0.000 1.242 120 Y HN -0.012 nan 8.280 nan 0.000 0.540 121 V N 7.911 127.499 119.914 -0.543 0.000 2.376 121 V HA 0.203 4.323 4.120 -0.000 0.000 0.287 121 V C -0.282 175.411 176.094 -0.667 0.000 1.015 121 V CA -1.324 60.653 62.300 -0.537 0.000 0.834 121 V CB 1.121 32.790 31.823 -0.256 0.000 1.001 121 V HN 0.745 nan 8.190 nan 0.000 0.428 122 K N 3.846 123.766 120.400 -0.800 0.000 2.401 122 K HA 0.182 4.502 4.320 -0.000 0.000 0.278 122 K C 0.545 176.941 176.600 -0.341 0.000 1.018 122 K CA 0.307 56.300 56.287 -0.490 0.000 0.981 122 K CB 1.084 33.438 32.500 -0.245 0.000 0.933 122 K HN 0.786 nan 8.250 nan 0.000 0.477 123 Q N 3.201 122.799 119.800 -0.336 0.000 2.875 123 Q HA 0.195 4.535 4.340 -0.000 0.000 0.285 123 Q C -0.140 175.580 176.000 -0.468 0.000 1.123 123 Q CA -0.227 55.170 55.803 -0.676 0.000 0.476 123 Q CB 0.025 28.222 28.738 -0.903 0.000 4.981 123 Q HN 0.725 nan 8.270 nan 0.000 0.362 124 W N -0.036 121.267 121.300 0.006 0.000 1.836 124 W HA 0.364 5.024 4.660 -0.000 0.000 0.628 124 W C 1.779 178.293 176.519 -0.008 0.000 1.626 124 W CA -0.703 56.670 57.345 0.046 0.000 1.714 124 W CB -0.170 29.302 29.460 0.021 0.000 3.166 124 W HN 0.291 nan 8.180 nan 0.000 0.772 125 R N -0.569 120.043 120.500 0.187 0.000 2.092 125 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 125 R C 1.622 177.777 176.300 -0.242 0.000 1.119 125 R CA 1.702 57.751 56.100 -0.085 0.000 0.970 125 R CB -0.382 29.779 30.300 -0.232 0.000 0.864 125 R HN 0.537 nan 8.270 nan 0.000 0.440 126 H N -1.222 117.911 119.070 0.104 0.000 2.927 126 H HA 0.165 4.721 4.556 -0.000 0.000 0.255 126 H C 0.620 176.036 175.328 0.148 0.000 0.974 126 H CA 0.451 56.580 56.048 0.134 0.000 1.199 126 H CB 0.490 30.296 29.762 0.073 0.000 1.447 126 H HN 0.152 nan 8.280 nan 0.000 0.467 127 S N 1.015 116.734 115.700 0.033 0.000 2.632 127 S HA 0.464 4.934 4.470 -0.000 0.000 0.271 127 S C -0.424 174.102 174.600 -0.124 0.000 1.260 127 S CA -0.535 57.414 58.200 -0.418 0.000 1.010 127 S CB 1.250 63.602 63.200 -1.413 0.000 0.965 127 S HN 0.449 nan 8.310 nan 0.000 0.534 128 Y N -2.909 117.284 120.300 -0.178 0.000 2.810 128 Y HA 0.668 5.218 4.550 -0.000 0.000 0.355 128 Y C -1.058 174.891 175.900 0.082 0.000 1.211 128 Y CA -1.096 56.952 58.100 -0.087 0.000 1.112 128 Y CB 0.762 39.256 38.460 0.057 0.000 1.383 128 Y HN 0.645 nan 8.280 nan 0.000 0.458 129 T N 1.424 116.121 114.554 0.237 0.000 2.863 129 T HA 0.930 5.280 4.350 -0.000 0.000 0.285 129 T C -0.955 173.872 174.700 0.212 0.000 1.009 129 T CA 0.144 62.360 62.100 0.194 0.000 0.989 129 T CB 1.282 70.181 68.868 0.052 0.000 1.004 129 T HN 1.263 nan 8.240 nan 0.000 0.455 130 A N 1.987 124.913 122.820 0.177 0.000 2.581 130 A HA 0.832 5.152 4.320 -0.000 0.000 0.290 130 A C -0.750 176.680 177.584 -0.256 0.000 1.119 130 A CA -0.750 51.239 52.037 -0.079 0.000 0.670 130 A CB 1.234 20.142 19.000 -0.154 0.000 1.280 130 A HN 0.688 nan 8.150 nan 0.000 0.425 131 S N -0.951 114.364 115.700 -0.641 0.000 2.690 131 S HA 0.832 5.302 4.470 -0.000 0.000 0.291 131 S C -1.372 172.606 174.600 -1.036 0.000 1.138 131 S CA -0.108 57.630 58.200 -0.770 0.000 1.013 131 S CB 0.664 63.132 63.200 -1.221 0.000 1.053 131 S HN 0.485 nan 8.310 nan 0.000 0.539 132 Y N -0.480 119.625 120.300 -0.324 0.000 2.544 132 Y HA 0.461 5.011 4.550 -0.000 0.000 0.342 132 Y C -0.502 175.478 175.900 0.134 0.000 1.062 132 Y CA -0.954 57.110 58.100 -0.061 0.000 1.023 132 Y CB 1.819 40.193 38.460 -0.143 0.000 1.308 132 Y HN 0.498 nan 8.280 nan 0.000 0.457 133 D N 1.692 122.325 120.400 0.390 0.000 2.490 133 D HA 0.584 5.224 4.640 -0.000 0.000 0.232 133 D C -1.042 175.400 176.300 0.236 0.000 1.053 133 D CA -0.364 53.826 54.000 0.317 0.000 0.914 133 D CB 2.701 43.756 40.800 0.424 0.000 1.431 133 D HN 0.398 nan 8.370 nan 0.000 0.483 134 I N 1.650 122.356 120.570 0.227 0.000 2.406 134 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 134 I C -0.773 175.576 176.117 0.385 0.000 0.999 134 I CA -0.929 60.550 61.300 0.298 0.000 1.124 134 I CB 1.527 39.674 38.000 0.246 0.000 1.289 134 I HN 0.226 nan 8.210 nan 0.000 0.441 135 Y N 5.665 126.135 120.300 0.284 0.000 2.350 135 Y HA 0.190 4.739 4.550 -0.000 0.000 0.340 135 Y C 0.221 176.263 175.900 0.235 0.000 1.006 135 Y CA -0.410 57.855 58.100 0.274 0.000 1.166 135 Y CB 0.830 39.502 38.460 0.354 0.000 1.168 135 Y HN 0.489 nan 8.280 nan 0.000 0.502 136 D N 6.047 126.280 120.400 -0.278 0.000 2.336 136 D HA 0.037 4.677 4.640 -0.000 0.000 0.249 136 D C 0.447 176.327 176.300 -0.701 0.000 1.213 136 D CA 0.287 54.019 54.000 -0.447 0.000 0.870 136 D CB 1.232 41.856 40.800 -0.292 0.000 1.076 136 D HN 0.823 nan 8.370 nan 0.000 0.483 137 L N 4.354 125.247 121.223 -0.549 0.000 2.156 137 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 137 L C 2.284 178.938 176.870 -0.359 0.000 1.095 137 L CA 0.622 55.242 54.840 -0.367 0.000 0.770 137 L CB -0.192 41.711 42.059 -0.260 0.000 0.914 137 L HN 0.466 nan 8.230 nan 0.000 0.439 138 N N -0.029 118.440 118.700 -0.386 0.000 2.084 138 N HA -0.107 4.632 4.740 -0.000 0.000 0.190 138 N C 0.477 175.845 175.510 -0.236 0.000 1.030 138 N CA 0.970 53.855 53.050 -0.276 0.000 0.849 138 N CB 0.107 38.446 38.487 -0.247 0.000 1.012 138 N HN 0.432 nan 8.380 nan 0.000 0.423 139 K N 0.590 120.828 120.400 -0.270 0.000 2.179 139 K HA 0.330 4.650 4.320 -0.000 0.000 0.238 139 K C 0.158 176.586 176.600 -0.286 0.000 1.033 139 K CA -0.488 55.666 56.287 -0.223 0.000 0.926 139 K CB 0.719 33.111 32.500 -0.180 0.000 1.151 139 K HN -0.083 nan 8.250 nan 0.000 0.492 140 R N 1.226 121.607 120.500 -0.198 0.000 4.048 140 R HA 0.148 4.488 4.340 -0.000 0.000 0.290 140 R C -0.534 175.692 176.300 -0.124 0.000 1.519 140 R CA -0.126 55.889 56.100 -0.141 0.000 1.446 140 R CB 0.131 30.401 30.300 -0.049 0.000 1.455 140 R HN 0.519 nan 8.270 nan 0.000 0.706 141 Q N 0.945 120.522 119.800 -0.373 0.000 2.309 141 Q HA 0.365 4.705 4.340 -0.000 0.000 0.273 141 Q C -1.035 174.900 176.000 -0.109 0.000 1.040 141 Q CA -0.705 55.010 55.803 -0.148 0.000 0.834 141 Q CB 2.841 31.512 28.738 -0.111 0.000 1.345 141 Q HN 0.280 nan 8.270 nan 0.000 0.414 142 L N 3.662 125.013 121.223 0.214 0.000 2.380 142 L HA 0.315 4.655 4.340 -0.000 0.000 0.273 142 L C 0.368 177.336 176.870 0.163 0.000 1.138 142 L CA -0.448 54.567 54.840 0.292 0.000 0.832 142 L CB 0.322 42.607 42.059 0.378 0.000 1.124 142 L HN 0.607 nan 8.230 nan 0.000 0.454 143 I N 0.059 120.728 120.570 0.163 0.000 2.754 143 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 143 I C 0.573 176.746 176.117 0.094 0.000 1.166 143 I CA 0.440 61.807 61.300 0.112 0.000 1.417 143 I CB 0.941 39.005 38.000 0.107 0.000 1.382 143 I HN 0.527 nan 8.210 nan 0.000 0.588 144 T N 2.675 117.261 114.554 0.054 0.000 3.057 144 T HA 0.142 4.492 4.350 -0.000 0.000 0.254 144 T C 0.268 174.974 174.700 0.009 0.000 0.965 144 T CA 0.134 62.259 62.100 0.041 0.000 0.978 144 T CB 0.031 68.922 68.868 0.039 0.000 1.169 144 T HN 0.859 nan 8.240 nan 0.000 0.489 145 E N 1.434 121.631 120.200 -0.005 0.000 2.250 145 E HA 0.473 4.823 4.350 -0.000 0.000 0.265 145 E C -0.414 176.154 176.600 -0.054 0.000 1.033 145 E CA -0.683 55.699 56.400 -0.029 0.000 0.888 145 E CB 0.560 30.244 29.700 -0.026 0.000 1.151 145 E HN -0.100 nan 8.360 nan 0.000 0.412 146 E N -0.252 119.899 120.200 -0.082 0.000 2.805 146 E HA -0.243 4.107 4.350 -0.000 0.000 0.266 146 E C -0.607 175.898 176.600 -0.157 0.000 1.092 146 E CA 0.813 57.140 56.400 -0.121 0.000 0.781 146 E CB -1.736 27.900 29.700 -0.108 0.000 1.379 146 E HN 0.557 nan 8.360 nan 0.000 0.433 147 R N 0.046 120.460 120.500 -0.143 0.000 2.587 147 R HA 0.047 4.387 4.340 -0.000 0.000 0.268 147 R C 1.088 177.196 176.300 -0.319 0.000 0.978 147 R CA 0.246 56.247 56.100 -0.165 0.000 1.097 147 R CB 0.174 30.410 30.300 -0.106 0.000 0.917 147 R HN 0.157 nan 8.270 nan 0.000 0.414 148 I N 5.742 126.081 120.570 -0.384 0.000 2.752 148 I HA -0.035 4.135 4.170 -0.000 0.000 0.289 148 I C -1.394 174.395 176.117 -0.547 0.000 1.197 148 I CA -1.210 59.677 61.300 -0.689 0.000 1.432 148 I CB 0.095 37.711 38.000 -0.640 0.000 1.359 148 I HN 0.394 nan 8.210 nan 0.000 0.571 149 P HA 0.075 nan 4.420 nan 0.000 0.273 149 P C -0.777 176.341 177.300 -0.302 0.000 1.250 149 P CA -0.379 62.343 63.100 -0.630 0.000 0.793 149 P CB 0.480 31.379 31.700 -1.335 0.000 1.011 150 N N 1.000 119.627 118.700 -0.122 0.000 2.424 150 N HA 0.040 4.780 4.740 -0.000 0.000 0.257 150 N C 0.368 176.014 175.510 0.226 0.000 1.250 150 N CA 0.049 53.102 53.050 0.004 0.000 0.946 150 N CB -0.511 37.974 38.487 -0.004 0.000 1.175 150 N HN 0.410 nan 8.380 nan 0.000 0.477 151 N N -1.078 117.705 118.700 0.138 0.000 2.725 151 N HA -0.169 4.571 4.740 -0.000 0.000 0.251 151 N C -0.870 174.831 175.510 0.317 0.000 1.031 151 N CA 0.686 53.835 53.050 0.166 0.000 0.720 151 N CB -1.715 36.828 38.487 0.093 0.000 0.930 151 N HN 0.438 nan 8.380 nan 0.000 0.543 152 T N 0.648 115.398 114.554 0.327 0.000 2.889 152 T HA 0.223 4.573 4.350 -0.000 0.000 0.291 152 T C 1.597 176.485 174.700 0.312 0.000 0.995 152 T CA -0.127 62.191 62.100 0.364 0.000 1.092 152 T CB 1.563 70.562 68.868 0.219 0.000 0.954 152 T HN 0.198 nan 8.240 nan 0.000 0.506 153 Q N 1.360 121.332 119.800 0.287 0.000 2.378 153 Q HA 0.217 4.557 4.340 -0.000 0.000 0.216 153 Q C -0.159 176.039 176.000 0.331 0.000 0.892 153 Q CA 0.024 56.018 55.803 0.317 0.000 0.931 153 Q CB 1.160 30.056 28.738 0.264 0.000 1.086 153 Q HN 0.681 nan 8.270 nan 0.000 0.528 154 W N 0.269 121.557 121.300 -0.020 0.000 3.645 154 W HA 0.422 5.082 4.660 -0.000 0.000 0.285 154 W C -2.299 174.145 176.519 -0.125 0.000 1.266 154 W CA -0.668 56.610 57.345 -0.112 0.000 1.212 154 W CB 1.085 30.411 29.460 -0.224 0.000 1.306 154 W HN -0.327 nan 8.180 nan 0.000 0.552 155 V N 2.738 121.903 119.914 -1.249 0.000 2.925 155 V HA 0.803 4.923 4.120 -0.000 0.000 0.311 155 V C -0.438 174.960 176.094 -1.159 0.000 1.104 155 V CA -0.769 60.917 62.300 -1.024 0.000 0.954 155 V CB 1.895 33.084 31.823 -1.057 0.000 1.022 155 V HN 0.484 nan 8.190 nan 0.000 0.427 156 T N 0.389 114.603 114.554 -0.566 0.000 3.032 156 T HA 0.434 4.784 4.350 -0.000 0.000 0.312 156 T C -0.958 173.721 174.700 -0.035 0.000 1.078 156 T CA -0.521 61.456 62.100 -0.206 0.000 1.028 156 T CB 1.038 70.038 68.868 0.221 0.000 1.091 156 T HN 0.603 nan 8.240 nan 0.000 0.457 157 W N 2.572 123.881 121.300 0.015 0.000 2.137 157 W HA 0.368 5.028 4.660 -0.000 0.000 0.344 157 W C 1.246 177.595 176.519 -0.283 0.000 1.286 157 W CA -0.547 56.758 57.345 -0.065 0.000 1.240 157 W CB 0.450 29.884 29.460 -0.044 0.000 1.141 157 W HN 0.766 nan 8.180 nan 0.000 0.579 158 S N 1.826 117.226 115.700 -0.500 0.000 2.584 158 S HA 0.120 4.590 4.470 -0.000 0.000 0.270 158 S C -1.818 172.519 174.600 -0.438 0.000 1.346 158 S CA -1.027 56.395 58.200 -1.298 0.000 1.018 158 S CB 0.801 63.158 63.200 -1.406 0.000 0.899 158 S HN 0.299 nan 8.310 nan 0.000 0.542 159 P HA 0.084 nan 4.420 nan 0.000 0.229 159 P C 0.180 177.434 177.300 -0.077 0.000 1.160 159 P CA 0.501 63.560 63.100 -0.067 0.000 0.777 159 P CB -0.195 31.513 31.700 0.013 0.000 0.814 160 V N -6.720 113.103 119.914 -0.152 0.000 3.130 160 V HA 0.893 5.012 4.120 -0.000 0.000 0.310 160 V C 0.462 176.438 176.094 -0.196 0.000 1.158 160 V CA -0.329 61.892 62.300 -0.132 0.000 1.029 160 V CB 1.103 32.869 31.823 -0.094 0.000 1.057 160 V HN 0.361 nan 8.190 nan 0.000 0.436 161 G N 1.911 110.592 108.800 -0.198 0.000 2.527 161 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.268 161 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.268 161 G C 0.190 174.929 174.900 -0.268 0.000 1.175 161 G CA 0.928 45.830 45.100 -0.331 0.000 0.962 161 G HN 2.636 nan 8.290 nan 0.000 0.560 162 H N -1.132 117.912 119.070 -0.044 0.000 3.407 162 H HA 0.420 4.976 4.556 -0.000 0.000 0.222 162 H C 0.157 175.623 175.328 0.230 0.000 1.357 162 H CA -0.291 55.763 56.048 0.010 0.000 1.145 162 H CB -0.287 29.477 29.762 0.002 0.000 2.622 162 H HN 0.500 nan 8.280 nan 0.000 0.556 163 K N 1.610 122.132 120.400 0.203 0.000 2.138 163 K HA 0.540 4.860 4.320 -0.000 0.000 0.251 163 K C -0.466 176.239 176.600 0.176 0.000 1.015 163 K CA -0.549 55.816 56.287 0.130 0.000 0.917 163 K CB 1.691 34.111 32.500 -0.132 0.000 1.021 163 K HN 0.162 nan 8.250 nan 0.000 0.485 164 L N 1.151 122.478 121.223 0.173 0.000 2.436 164 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 164 L C -0.888 176.159 176.870 0.295 0.000 0.974 164 L CA -0.840 54.059 54.840 0.099 0.000 0.826 164 L CB 2.094 44.052 42.059 -0.167 0.000 1.291 164 L HN 0.677 nan 8.230 nan 0.000 0.406 165 A N 2.923 125.960 122.820 0.361 0.000 2.317 165 A HA 0.822 5.142 4.320 -0.000 0.000 0.327 165 A C -1.342 176.247 177.584 0.009 0.000 1.178 165 A CA -0.320 51.786 52.037 0.115 0.000 0.817 165 A CB 0.849 19.835 19.000 -0.023 0.000 1.189 165 A HN 0.651 nan 8.150 nan 0.000 0.489 166 Y N -0.529 119.726 120.300 -0.075 0.000 2.581 166 Y HA 0.758 5.308 4.550 -0.000 0.000 0.345 166 Y C -1.110 174.809 175.900 0.031 0.000 1.036 166 Y CA -1.621 56.411 58.100 -0.115 0.000 1.042 166 Y CB 1.128 39.453 38.460 -0.225 0.000 1.289 166 Y HN 0.370 nan 8.280 nan 0.000 0.471 167 V N 2.192 122.239 119.914 0.223 0.000 2.448 167 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 167 V C -1.537 174.791 176.094 0.390 0.000 1.025 167 V CA -0.634 61.790 62.300 0.206 0.000 0.859 167 V CB 1.363 33.233 31.823 0.078 0.000 0.988 167 V HN 0.872 nan 8.190 nan 0.000 0.431 168 W N 5.163 126.572 121.300 0.182 0.000 2.968 168 W HA 0.452 5.112 4.660 -0.000 0.000 0.337 168 W C 0.318 176.903 176.519 0.110 0.000 1.060 168 W CA -0.701 56.731 57.345 0.145 0.000 1.240 168 W CB 1.214 30.752 29.460 0.129 0.000 1.370 168 W HN 0.798 nan 8.180 nan 0.000 0.459 169 N N 5.072 123.561 118.700 -0.352 0.000 2.735 169 N HA -0.338 4.402 4.740 -0.000 0.000 0.248 169 N C -0.018 175.403 175.510 -0.148 0.000 1.083 169 N CA 0.952 53.781 53.050 -0.368 0.000 0.703 169 N CB -0.949 37.175 38.487 -0.606 0.000 1.005 169 N HN 0.699 nan 8.380 nan 0.000 0.550 170 N N -1.811 116.854 118.700 -0.058 0.000 2.878 170 N HA -0.143 4.597 4.740 -0.000 0.000 0.247 170 N C -1.463 174.015 175.510 -0.053 0.000 1.021 170 N CA 1.533 54.556 53.050 -0.044 0.000 0.873 170 N CB -0.608 37.803 38.487 -0.127 0.000 1.128 170 N HN 0.514 nan 8.380 nan 0.000 0.571 171 D N 0.010 120.394 120.400 -0.027 0.000 2.248 171 D HA 0.490 5.130 4.640 -0.000 0.000 0.246 171 D C 0.479 176.651 176.300 -0.214 0.000 1.027 171 D CA -0.414 53.492 54.000 -0.157 0.000 0.853 171 D CB 1.229 41.909 40.800 -0.201 0.000 1.243 171 D HN 0.037 nan 8.370 nan 0.000 0.462 172 I N 2.008 122.288 120.570 -0.483 0.000 2.472 172 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 172 I C -0.544 175.098 176.117 -0.790 0.000 1.016 172 I CA -0.213 60.774 61.300 -0.521 0.000 1.348 172 I CB 0.497 38.123 38.000 -0.622 0.000 1.417 172 I HN 0.197 nan 8.210 nan 0.000 0.521 173 Y N 3.805 123.730 120.300 -0.625 0.000 2.576 173 Y HA 0.683 5.233 4.550 -0.000 0.000 0.346 173 Y C -0.501 175.079 175.900 -0.533 0.000 1.018 173 Y CA -0.952 56.734 58.100 -0.690 0.000 1.050 173 Y CB 2.010 39.769 38.460 -1.168 0.000 1.280 173 Y HN 0.072 nan 8.280 nan 0.000 0.474 174 V N 2.489 122.352 119.914 -0.085 0.000 2.623 174 V HA 0.399 4.519 4.120 -0.000 0.000 0.304 174 V C -1.023 175.164 176.094 0.155 0.000 1.054 174 V CA -1.396 60.951 62.300 0.078 0.000 0.882 174 V CB 1.932 33.850 31.823 0.158 0.000 1.002 174 V HN 0.622 nan 8.190 nan 0.000 0.424 175 K N 4.807 125.298 120.400 0.151 0.000 2.206 175 K HA 0.524 4.844 4.320 -0.000 0.000 0.264 175 K C 0.207 176.901 176.600 0.158 0.000 0.967 175 K CA -0.802 55.547 56.287 0.103 0.000 0.844 175 K CB 2.095 34.616 32.500 0.035 0.000 1.099 175 K HN 0.370 nan 8.250 nan 0.000 0.441 176 I N 1.005 121.679 120.570 0.174 0.000 2.339 176 I HA -0.025 4.145 4.170 -0.000 0.000 0.245 176 I C 0.578 176.787 176.117 0.153 0.000 1.096 176 I CA 1.357 62.771 61.300 0.191 0.000 1.408 176 I CB -0.286 37.853 38.000 0.232 0.000 1.092 176 I HN 0.577 nan 8.210 nan 0.000 0.423 177 E N 0.500 120.741 120.200 0.069 0.000 2.207 177 E HA 0.274 4.624 4.350 -0.000 0.000 0.270 177 E C -1.811 174.695 176.600 -0.157 0.000 0.927 177 E CA -2.109 54.260 56.400 -0.052 0.000 0.799 177 E CB 1.406 31.091 29.700 -0.024 0.000 1.172 177 E HN -0.083 nan 8.360 nan 0.000 0.404 178 P HA -0.130 nan 4.420 nan 0.000 0.218 178 P C 0.724 177.924 177.300 -0.166 0.000 1.149 178 P CA 1.142 64.043 63.100 -0.332 0.000 0.817 178 P CB 0.267 31.564 31.700 -0.671 0.000 0.785 179 N N -1.364 117.269 118.700 -0.111 0.000 2.322 179 N HA -0.003 4.737 4.740 -0.000 0.000 0.194 179 N C 0.138 175.615 175.510 -0.055 0.000 1.126 179 N CA 0.399 53.419 53.050 -0.049 0.000 0.845 179 N CB -0.477 38.010 38.487 0.000 0.000 0.976 179 N HN 0.035 nan 8.380 nan 0.000 0.475 180 L N 0.962 122.143 121.223 -0.071 0.000 2.375 180 L HA 0.605 4.945 4.340 -0.000 0.000 0.268 180 L C -2.194 174.604 176.870 -0.121 0.000 1.058 180 L CA -2.382 52.411 54.840 -0.079 0.000 0.803 180 L CB 1.034 43.055 42.059 -0.063 0.000 1.212 180 L HN -0.092 nan 8.230 nan 0.000 0.451 181 P HA 0.127 nan 4.420 nan 0.000 0.271 181 P C -0.758 176.362 177.300 -0.300 0.000 1.218 181 P CA -0.279 62.706 63.100 -0.191 0.000 0.780 181 P CB 0.435 32.029 31.700 -0.176 0.000 0.901 182 S N 1.679 117.255 115.700 -0.207 0.000 2.601 182 S HA 0.368 4.838 4.470 -0.000 0.000 0.271 182 S C -0.643 173.803 174.600 -0.256 0.000 1.305 182 S CA -0.479 57.626 58.200 -0.159 0.000 1.022 182 S CB 0.024 63.255 63.200 0.051 0.000 0.940 182 S HN 0.264 nan 8.310 nan 0.000 0.525 183 Y N 0.342 120.670 120.300 0.047 0.000 2.327 183 Y HA 0.417 4.967 4.550 -0.000 0.000 0.336 183 Y C 0.946 176.784 175.900 -0.103 0.000 1.035 183 Y CA -0.788 57.317 58.100 0.008 0.000 1.165 183 Y CB 0.829 39.290 38.460 0.002 0.000 1.181 183 Y HN 0.619 nan 8.280 nan 0.000 0.494 184 R N 3.474 123.935 120.500 -0.065 0.000 2.347 184 R HA 0.177 4.517 4.340 -0.000 0.000 0.304 184 R C 0.238 176.315 176.300 -0.371 0.000 1.072 184 R CA 0.004 55.739 56.100 -0.610 0.000 0.980 184 R CB 0.288 30.030 30.300 -0.929 0.000 0.986 184 R HN 0.769 nan 8.270 nan 0.000 0.448 185 I N 2.010 122.266 120.570 -0.523 0.000 2.810 185 I HA -0.008 4.162 4.170 -0.000 0.000 0.262 185 I C 1.124 177.087 176.117 -0.257 0.000 1.131 185 I CA 0.921 62.036 61.300 -0.308 0.000 1.453 185 I CB -0.635 37.129 38.000 -0.394 0.000 1.161 185 I HN 0.643 nan 8.210 nan 0.000 0.444 186 T N -3.541 110.746 114.554 -0.444 0.000 2.924 186 T HA 0.416 4.766 4.350 -0.000 0.000 0.291 186 T C -0.786 173.765 174.700 -0.250 0.000 1.045 186 T CA -0.457 61.505 62.100 -0.230 0.000 1.015 186 T CB 2.105 70.790 68.868 -0.304 0.000 1.103 186 T HN 0.176 nan 8.240 nan 0.000 0.496 187 W N 0.252 121.448 121.300 -0.174 0.000 2.252 187 W HA 0.275 4.935 4.660 -0.000 0.000 0.338 187 W C 1.666 178.140 176.519 -0.076 0.000 0.914 187 W CA -0.234 57.046 57.345 -0.108 0.000 1.754 187 W CB -0.012 29.405 29.460 -0.073 0.000 1.135 187 W HN 0.954 nan 8.180 nan 0.000 0.531 188 T N -3.252 111.353 114.554 0.085 0.000 3.014 188 T HA 0.258 4.608 4.350 -0.000 0.000 0.250 188 T C 1.380 176.085 174.700 0.008 0.000 1.060 188 T CA 0.312 62.443 62.100 0.051 0.000 1.040 188 T CB -0.165 68.727 68.868 0.040 0.000 0.971 188 T HN 0.034 nan 8.240 nan 0.000 0.497 189 G N 1.638 110.422 108.800 -0.028 0.000 2.093 189 G HA2 0.205 4.165 3.960 -0.000 0.000 0.250 189 G HA3 0.205 4.165 3.960 -0.000 0.000 0.250 189 G C -0.518 174.335 174.900 -0.078 0.000 1.056 189 G CA -0.079 44.980 45.100 -0.070 0.000 0.916 189 G HN 0.567 nan 8.290 nan 0.000 0.421 190 K N 2.169 122.497 120.400 -0.121 0.000 2.565 190 K HA 0.185 4.505 4.320 -0.000 0.000 0.249 190 K C 0.009 176.499 176.600 -0.183 0.000 0.958 190 K CA -0.703 55.515 56.287 -0.115 0.000 0.806 190 K CB 1.526 33.988 32.500 -0.064 0.000 1.194 190 K HN 0.683 nan 8.250 nan 0.000 0.434 191 E N 3.364 123.469 120.200 -0.159 0.000 2.765 191 E HA -0.181 4.169 4.350 -0.000 0.000 0.256 191 E C -0.594 175.927 176.600 -0.132 0.000 0.935 191 E CA 1.049 57.356 56.400 -0.154 0.000 0.954 191 E CB 0.219 29.862 29.700 -0.094 0.000 0.908 191 E HN 0.625 nan 8.360 nan 0.000 0.500 192 D N 2.243 122.551 120.400 -0.153 0.000 3.046 192 D HA -0.236 4.404 4.640 -0.000 0.000 0.210 192 D C 0.487 176.805 176.300 0.030 0.000 1.124 192 D CA 1.621 55.642 54.000 0.036 0.000 0.986 192 D CB -1.038 39.821 40.800 0.098 0.000 1.118 192 D HN 0.534 nan 8.370 nan 0.000 0.416 193 I N -1.199 119.273 120.570 -0.164 0.000 3.669 193 I HA 0.079 4.249 4.170 -0.000 0.000 0.255 193 I C 0.339 176.467 176.117 0.019 0.000 1.144 193 I CA -0.068 61.230 61.300 -0.004 0.000 1.447 193 I CB 0.602 38.599 38.000 -0.005 0.000 1.622 193 I HN -0.180 nan 8.210 nan 0.000 0.435 194 I N 1.493 121.992 120.570 -0.118 0.000 2.406 194 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 194 I C -1.414 174.625 176.117 -0.129 0.000 0.999 194 I CA -0.534 60.771 61.300 0.008 0.000 1.124 194 I CB 0.884 38.903 38.000 0.031 0.000 1.289 194 I HN 0.062 nan 8.210 nan 0.000 0.441 195 Y N 4.648 125.053 120.300 0.175 0.000 2.328 195 Y HA 0.414 4.964 4.550 -0.000 0.000 0.333 195 Y C 0.196 176.174 175.900 0.130 0.000 0.958 195 Y CA -0.922 57.287 58.100 0.181 0.000 1.167 195 Y CB 1.099 39.757 38.460 0.331 0.000 1.151 195 Y HN 0.408 nan 8.280 nan 0.000 0.470 196 N N 2.323 121.116 118.700 0.157 0.000 2.469 196 N HA 0.404 5.144 4.740 -0.000 0.000 0.253 196 N C 0.892 176.382 175.510 -0.034 0.000 0.970 196 N CA 0.299 53.378 53.050 0.048 0.000 0.940 196 N CB 1.771 40.189 38.487 -0.116 0.000 1.128 196 N HN 0.975 nan 8.380 nan 0.000 0.503 197 G N 1.290 110.096 108.800 0.010 0.000 2.195 197 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 197 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 197 G C 0.062 174.864 174.900 -0.165 0.000 0.984 197 G CA 0.428 45.465 45.100 -0.105 0.000 0.633 197 G HN 0.639 nan 8.290 nan 0.000 0.525 198 I N -1.078 119.467 120.570 -0.042 0.000 3.002 198 I HA 0.834 5.004 4.170 -0.000 0.000 0.310 198 I C 0.336 176.548 176.117 0.159 0.000 1.087 198 I CA -0.681 60.510 61.300 -0.182 0.000 1.017 198 I CB 2.047 39.721 38.000 -0.543 0.000 1.226 198 I HN 0.167 nan 8.210 nan 0.000 0.443 199 T N -0.668 113.894 114.554 0.014 0.000 2.928 199 T HA 0.380 4.730 4.350 -0.000 0.000 0.284 199 T C -0.227 174.257 174.700 -0.361 0.000 1.008 199 T CA -0.726 61.217 62.100 -0.262 0.000 1.057 199 T CB 1.420 70.240 68.868 -0.079 0.000 1.018 199 T HN 0.753 nan 8.240 nan 0.000 0.493 200 D N 0.977 120.898 120.400 -0.799 0.000 2.440 200 D HA 0.026 4.666 4.640 -0.000 0.000 0.269 200 D C 0.988 177.195 176.300 -0.155 0.000 1.249 200 D CA -0.987 52.597 54.000 -0.694 0.000 1.055 200 D CB 0.143 40.489 40.800 -0.757 0.000 1.104 200 D HN 0.694 nan 8.370 nan 0.000 0.561 201 W N 0.057 121.274 121.300 -0.139 0.000 2.329 201 W HA -0.229 4.430 4.660 -0.000 0.000 0.324 201 W C 2.297 178.682 176.519 -0.224 0.000 1.222 201 W CA 3.081 60.337 57.345 -0.148 0.000 1.270 201 W CB -0.582 28.750 29.460 -0.214 0.000 1.167 201 W HN 0.215 nan 8.180 nan 0.000 0.467 202 V N -1.596 118.372 119.914 0.090 0.000 2.392 202 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 202 V C 1.819 177.660 176.094 -0.421 0.000 1.059 202 V CA 1.916 64.111 62.300 -0.174 0.000 1.051 202 V CB -1.833 29.843 31.823 -0.244 0.000 0.658 202 V HN 0.327 nan 8.190 nan 0.000 0.455 203 Y N 1.236 121.267 120.300 -0.448 0.000 2.200 203 Y HA -0.138 4.412 4.550 -0.000 0.000 0.290 203 Y C 2.863 178.512 175.900 -0.419 0.000 1.137 203 Y CA 2.176 59.942 58.100 -0.556 0.000 1.163 203 Y CB -0.188 37.788 38.460 -0.807 0.000 0.988 203 Y HN 0.354 nan 8.280 nan 0.000 0.518 204 E N 0.190 120.261 120.200 -0.214 0.000 2.077 204 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 204 E C 1.978 178.432 176.600 -0.243 0.000 0.989 204 E CA 1.615 57.918 56.400 -0.161 0.000 0.800 204 E CB 0.024 29.647 29.700 -0.128 0.000 0.746 204 E HN 0.400 nan 8.360 nan 0.000 0.452 205 E N 0.017 119.921 120.200 -0.492 0.000 2.060 205 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 205 E C 1.673 178.094 176.600 -0.298 0.000 0.974 205 E CA 1.260 57.361 56.400 -0.499 0.000 0.808 205 E CB 0.188 29.215 29.700 -1.121 0.000 0.768 205 E HN 0.168 nan 8.360 nan 0.000 0.453 206 E N -0.674 119.317 120.200 -0.349 0.000 2.389 206 E HA 0.099 4.448 4.350 -0.000 0.000 0.199 206 E C 1.857 178.264 176.600 -0.323 0.000 0.978 206 E CA 0.426 56.676 56.400 -0.250 0.000 0.912 206 E CB 0.713 30.265 29.700 -0.246 0.000 0.907 206 E HN 0.181 nan 8.360 nan 0.000 0.494 207 V N -0.232 119.390 119.914 -0.487 0.000 2.602 207 V HA 0.018 4.138 4.120 -0.000 0.000 0.235 207 V C 1.336 177.193 176.094 -0.396 0.000 1.087 207 V CA 0.917 62.852 62.300 -0.609 0.000 1.117 207 V CB -0.266 30.893 31.823 -1.107 0.000 0.820 207 V HN 0.030 nan 8.190 nan 0.000 0.490 208 F N 0.480 120.395 119.950 -0.059 0.000 2.695 208 F HA 0.350 4.877 4.527 -0.000 0.000 0.303 208 F C 1.434 177.141 175.800 -0.155 0.000 1.091 208 F CA -0.485 57.496 58.000 -0.031 0.000 1.300 208 F CB -0.811 38.211 39.000 0.038 0.000 1.071 208 F HN 0.023 nan 8.300 nan 0.000 0.578 209 S N 1.154 116.787 115.700 -0.112 0.000 3.410 209 S HA 0.042 4.512 4.470 -0.000 0.000 0.369 209 S C 0.165 174.236 174.600 -0.883 0.000 0.961 209 S CA 0.530 58.467 58.200 -0.438 0.000 1.248 209 S CB -1.565 61.507 63.200 -0.212 0.000 0.914 209 S HN 0.680 nan 8.310 nan 0.000 0.497 210 A N -0.039 122.456 122.820 -0.542 0.000 2.583 210 A HA 0.600 4.920 4.320 -0.000 0.000 0.298 210 A C -0.147 177.367 177.584 -0.117 0.000 1.055 210 A CA -0.584 51.242 52.037 -0.351 0.000 0.714 210 A CB 0.247 19.083 19.000 -0.273 0.000 1.277 210 A HN 0.233 nan 8.150 nan 0.000 0.406 211 Y N 1.810 121.944 120.300 -0.276 0.000 2.293 211 Y HA 0.043 4.593 4.550 -0.000 0.000 0.291 211 Y C 1.714 177.322 175.900 -0.487 0.000 1.137 211 Y CA 1.601 59.536 58.100 -0.275 0.000 1.202 211 Y CB -0.047 38.281 38.460 -0.221 0.000 0.990 211 Y HN 0.722 nan 8.280 nan 0.000 0.537 212 S N 0.235 115.420 115.700 -0.858 0.000 2.549 212 S HA 0.437 4.907 4.470 -0.000 0.000 0.283 212 S C 0.240 174.349 174.600 -0.819 0.000 1.320 212 S CA 0.104 57.549 58.200 -1.258 0.000 1.058 212 S CB 0.472 62.646 63.200 -1.710 0.000 0.882 212 S HN 0.388 nan 8.310 nan 0.000 0.498 213 A N 5.182 127.544 122.820 -0.763 0.000 2.992 213 A HA 0.547 4.867 4.320 -0.000 0.000 0.263 213 A C -0.963 175.990 177.584 -1.050 0.000 0.928 213 A CA -0.395 51.100 52.037 -0.904 0.000 1.061 213 A CB 0.014 18.957 19.000 -0.096 0.000 1.173 213 A HN 0.586 nan 8.150 nan 0.000 0.482 214 L N -0.077 120.450 121.223 -1.160 0.000 2.370 214 L HA 0.750 5.090 4.340 -0.000 0.000 0.266 214 L C -1.320 175.136 176.870 -0.691 0.000 1.002 214 L CA -0.786 53.701 54.840 -0.587 0.000 0.818 214 L CB 1.403 43.292 42.059 -0.284 0.000 1.325 214 L HN 0.451 nan 8.230 nan 0.000 0.418 215 W N 3.071 124.393 121.300 0.037 0.000 2.680 215 W HA 0.137 4.797 4.660 -0.000 0.000 0.305 215 W C -1.178 175.523 176.519 0.303 0.000 1.033 215 W CA -1.079 56.401 57.345 0.224 0.000 1.242 215 W CB 0.820 30.465 29.460 0.308 0.000 1.138 215 W HN 0.513 nan 8.180 nan 0.000 0.358 216 W N 1.928 123.421 121.300 0.322 0.000 2.223 216 W HA 0.151 4.811 4.660 -0.000 0.000 0.334 216 W C 1.391 177.729 176.519 -0.301 0.000 1.334 216 W CA 0.893 58.294 57.345 0.094 0.000 1.246 216 W CB 0.577 30.074 29.460 0.061 0.000 1.184 216 W HN 0.076 nan 8.180 nan 0.000 0.563 217 S N 3.568 118.999 115.700 -0.448 0.000 2.550 217 S HA -0.061 4.409 4.470 -0.000 0.000 0.285 217 S C -1.119 173.242 174.600 -0.397 0.000 1.326 217 S CA -0.621 56.889 58.200 -1.151 0.000 1.037 217 S CB 0.586 63.416 63.200 -0.616 0.000 0.838 217 S HN 0.245 nan 8.310 nan 0.000 0.519 218 P HA -0.044 nan 4.420 nan 0.000 0.217 218 P C 1.183 178.452 177.300 -0.051 0.000 1.150 218 P CA 0.763 63.825 63.100 -0.062 0.000 0.832 218 P CB 0.037 31.751 31.700 0.023 0.000 0.787 219 N N -0.978 117.684 118.700 -0.064 0.000 2.104 219 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 219 N C 1.604 177.062 175.510 -0.086 0.000 1.024 219 N CA 2.065 55.083 53.050 -0.053 0.000 0.853 219 N CB -0.718 37.742 38.487 -0.044 0.000 1.008 219 N HN 0.222 nan 8.380 nan 0.000 0.424 220 G N -2.142 106.613 108.800 -0.076 0.000 2.232 220 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.226 220 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.226 220 G C 1.223 176.165 174.900 0.069 0.000 0.996 220 G CA 0.935 45.994 45.100 -0.070 0.000 0.626 220 G HN 0.362 nan 8.290 nan 0.000 0.509 221 T N 0.508 115.030 114.554 -0.053 0.000 2.624 221 T HA 0.000 4.350 4.350 -0.000 0.000 0.268 221 T C 0.950 175.497 174.700 -0.255 0.000 1.041 221 T CA 1.676 63.637 62.100 -0.232 0.000 1.159 221 T CB -0.168 68.421 68.868 -0.465 0.000 0.863 221 T HN 0.347 nan 8.240 nan 0.000 0.434 222 F N 0.050 120.033 119.950 0.055 0.000 2.458 222 F HA 0.562 5.089 4.527 -0.000 0.000 0.330 222 F C 0.049 175.898 175.800 0.083 0.000 1.082 222 F CA -1.277 56.780 58.000 0.095 0.000 0.995 222 F CB 1.135 40.233 39.000 0.164 0.000 1.170 222 F HN -0.049 nan 8.300 nan 0.000 0.478 223 L N 3.036 124.376 121.223 0.196 0.000 2.294 223 L HA 0.675 5.015 4.340 -0.000 0.000 0.283 223 L C -0.598 176.356 176.870 0.139 0.000 1.015 223 L CA -0.519 54.261 54.840 -0.101 0.000 0.831 223 L CB 0.752 42.550 42.059 -0.435 0.000 1.217 223 L HN 0.800 nan 8.230 nan 0.000 0.420 224 A N 5.162 128.139 122.820 0.262 0.000 2.304 224 A HA 0.694 5.014 4.320 -0.000 0.000 0.301 224 A C -1.274 176.432 177.584 0.202 0.000 1.132 224 A CA -0.272 51.823 52.037 0.097 0.000 0.819 224 A CB 0.838 19.957 19.000 0.199 0.000 1.094 224 A HN 0.732 nan 8.150 nan 0.000 0.492 225 Y N -1.643 118.520 120.300 -0.228 0.000 2.592 225 Y HA 0.696 5.246 4.550 -0.000 0.000 0.334 225 Y C -0.461 175.376 175.900 -0.105 0.000 1.136 225 Y CA -0.835 57.248 58.100 -0.029 0.000 1.042 225 Y CB 0.760 39.143 38.460 -0.129 0.000 1.325 225 Y HN 0.940 nan 8.280 nan 0.000 0.457 226 A N 3.042 126.035 122.820 0.287 0.000 2.312 226 A HA 0.646 4.966 4.320 -0.000 0.000 0.328 226 A C -1.028 176.469 177.584 -0.144 0.000 1.158 226 A CA -0.817 51.234 52.037 0.024 0.000 0.821 226 A CB 1.628 20.674 19.000 0.077 0.000 1.170 226 A HN 0.826 nan 8.150 nan 0.000 0.490 227 Q N 0.995 120.636 119.800 -0.264 0.000 2.312 227 Q HA 0.645 4.985 4.340 -0.000 0.000 0.263 227 Q C -1.949 173.725 176.000 -0.542 0.000 0.995 227 Q CA -0.400 55.289 55.803 -0.190 0.000 0.853 227 Q CB 1.051 29.923 28.738 0.222 0.000 1.300 227 Q HN 0.605 nan 8.270 nan 0.000 0.448 228 F N 2.001 122.078 119.950 0.211 0.000 2.508 228 F HA 0.449 4.976 4.527 -0.000 0.000 0.325 228 F C 0.181 176.161 175.800 0.300 0.000 1.090 228 F CA -1.012 57.091 58.000 0.172 0.000 0.945 228 F CB 1.568 40.575 39.000 0.012 0.000 1.156 228 F HN 0.429 nan 8.300 nan 0.000 0.463 229 N N 1.331 120.275 118.700 0.406 0.000 2.491 229 N HA 0.254 4.994 4.740 -0.000 0.000 0.274 229 N C -1.186 174.506 175.510 0.304 0.000 1.023 229 N CA -0.423 52.814 53.050 0.312 0.000 0.902 229 N CB 1.107 39.720 38.487 0.210 0.000 1.267 229 N HN 0.548 nan 8.380 nan 0.000 0.503 230 D N 1.366 121.965 120.400 0.331 0.000 2.463 230 D HA 0.167 4.807 4.640 -0.000 0.000 0.224 230 D C 1.022 177.440 176.300 0.197 0.000 1.174 230 D CA 0.122 54.294 54.000 0.286 0.000 0.829 230 D CB 0.560 41.594 40.800 0.390 0.000 0.993 230 D HN 0.466 nan 8.370 nan 0.000 0.497 231 T N 0.076 114.726 114.554 0.159 0.000 2.759 231 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 231 T C 1.238 175.995 174.700 0.095 0.000 1.042 231 T CA 1.228 63.396 62.100 0.112 0.000 1.140 231 T CB 0.034 68.959 68.868 0.095 0.000 0.864 231 T HN 0.304 nan 8.240 nan 0.000 0.455 232 E N 0.123 120.382 120.200 0.099 0.000 2.583 232 E HA 0.185 4.535 4.350 -0.000 0.000 0.213 232 E C -0.476 176.175 176.600 0.086 0.000 0.989 232 E CA -0.198 56.250 56.400 0.080 0.000 0.991 232 E CB 0.851 30.592 29.700 0.068 0.000 1.040 232 E HN 0.173 nan 8.360 nan 0.000 0.481 233 V N 3.916 123.894 119.914 0.108 0.000 2.521 233 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 233 V C -1.962 174.189 176.094 0.095 0.000 1.034 233 V CA -1.291 61.074 62.300 0.109 0.000 1.045 233 V CB 0.194 32.099 31.823 0.136 0.000 0.974 233 V HN 0.049 nan 8.190 nan 0.000 0.480 234 P HA 0.289 nan 4.420 nan 0.000 0.272 234 P C -0.839 176.501 177.300 0.067 0.000 1.240 234 P CA -0.320 62.819 63.100 0.066 0.000 0.791 234 P CB 0.550 32.288 31.700 0.064 0.000 0.978 235 L N 1.757 122.999 121.223 0.031 0.000 2.325 235 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 235 L C 0.112 176.947 176.870 -0.059 0.000 1.004 235 L CA -0.662 54.181 54.840 0.005 0.000 0.823 235 L CB 1.273 43.332 42.059 -0.000 0.000 1.236 235 L HN 0.316 nan 8.230 nan 0.000 0.415 236 I N 4.108 124.604 120.570 -0.122 0.000 2.396 236 I HA 0.163 4.333 4.170 -0.000 0.000 0.289 236 I C -0.060 175.931 176.117 -0.209 0.000 1.056 236 I CA 0.089 61.226 61.300 -0.271 0.000 1.365 236 I CB 0.835 38.443 38.000 -0.654 0.000 1.407 236 I HN 0.715 nan 8.210 nan 0.000 0.509 237 E N 8.216 128.314 120.200 -0.170 0.000 2.191 237 E HA 0.498 4.848 4.350 -0.000 0.000 0.274 237 E C -1.609 174.950 176.600 -0.068 0.000 0.948 237 E CA -0.596 55.709 56.400 -0.157 0.000 0.802 237 E CB 2.261 31.887 29.700 -0.123 0.000 1.137 237 E HN 0.538 nan 8.360 nan 0.000 0.397 238 Y N -2.243 117.971 120.300 -0.143 0.000 2.604 238 Y HA 0.428 4.978 4.550 -0.000 0.000 0.331 238 Y C -1.011 174.816 175.900 -0.122 0.000 1.158 238 Y CA -1.204 56.814 58.100 -0.137 0.000 1.056 238 Y CB 0.837 39.215 38.460 -0.136 0.000 1.330 238 Y HN 0.249 nan 8.280 nan 0.000 0.457 239 S N 2.605 118.311 115.700 0.010 0.000 2.548 239 S HA 0.425 4.895 4.470 -0.000 0.000 0.277 239 S C -1.252 173.236 174.600 -0.185 0.000 1.315 239 S CA -0.310 57.753 58.200 -0.227 0.000 1.050 239 S CB 0.291 63.215 63.200 -0.460 0.000 0.918 239 S HN 0.506 nan 8.310 nan 0.000 0.497 240 F N 2.583 122.300 119.950 -0.388 0.000 2.467 240 F HA 0.451 4.978 4.527 -0.000 0.000 0.336 240 F C -0.175 175.393 175.800 -0.387 0.000 1.123 240 F CA -0.933 56.901 58.000 -0.278 0.000 0.964 240 F CB 0.876 39.838 39.000 -0.063 0.000 1.136 240 F HN 0.646 nan 8.300 nan 0.000 0.447 241 Y N 2.556 122.635 120.300 -0.368 0.000 2.503 241 Y HA 0.072 4.622 4.550 -0.000 0.000 0.277 241 Y C 1.797 177.575 175.900 -0.203 0.000 1.102 241 Y CA 0.750 58.721 58.100 -0.215 0.000 1.261 241 Y CB -0.721 37.616 38.460 -0.206 0.000 1.096 241 Y HN 0.726 nan 8.280 nan 0.000 0.546 242 S N 0.075 115.572 115.700 -0.339 0.000 3.055 242 S HA -0.309 4.161 4.470 -0.000 0.000 0.628 242 S C -0.042 174.555 174.600 -0.005 0.000 3.040 242 S CA 0.673 58.806 58.200 -0.113 0.000 3.787 242 S CB -1.427 61.919 63.200 0.244 0.000 0.299 242 S HN 0.392 nan 8.310 nan 0.000 1.470 243 D N 1.745 122.179 120.400 0.056 0.000 2.478 243 D HA 0.157 4.797 4.640 -0.000 0.000 0.234 243 D C 1.452 177.769 176.300 0.029 0.000 1.154 243 D CA 0.685 54.711 54.000 0.042 0.000 0.874 243 D CB 0.376 41.208 40.800 0.054 0.000 1.198 243 D HN 0.599 nan 8.370 nan 0.000 0.455 244 E N 0.523 120.731 120.200 0.014 0.000 2.171 244 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 244 E C 1.579 178.184 176.600 0.007 0.000 0.997 244 E CA 1.181 57.582 56.400 0.002 0.000 0.810 244 E CB 0.174 29.872 29.700 -0.003 0.000 0.738 244 E HN 0.455 nan 8.360 nan 0.000 0.467 245 S N -0.104 115.606 115.700 0.018 0.000 2.522 245 S HA -0.007 4.463 4.470 -0.000 0.000 0.227 245 S C 1.054 175.674 174.600 0.032 0.000 0.986 245 S CA -0.141 58.072 58.200 0.021 0.000 0.929 245 S CB -0.069 63.146 63.200 0.024 0.000 0.769 245 S HN 0.166 nan 8.310 nan 0.000 0.529 246 L N 2.044 123.293 121.223 0.044 0.000 2.410 246 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 246 L C 1.485 178.381 176.870 0.044 0.000 1.144 246 L CA 0.085 54.962 54.840 0.063 0.000 0.863 246 L CB 1.182 43.290 42.059 0.082 0.000 1.140 246 L HN 0.435 nan 8.230 nan 0.000 0.463 247 Q N 3.739 123.572 119.800 0.055 0.000 2.200 247 Q HA -0.002 4.338 4.340 -0.000 0.000 0.197 247 Q C -0.568 175.355 176.000 -0.128 0.000 0.953 247 Q CA 0.527 56.311 55.803 -0.032 0.000 0.851 247 Q CB 0.304 29.038 28.738 -0.007 0.000 0.938 247 Q HN 0.592 nan 8.270 nan 0.000 0.488 248 Y N 1.901 122.211 120.300 0.018 0.000 2.335 248 Y HA 0.346 4.896 4.550 -0.000 0.000 0.339 248 Y C -1.983 173.924 175.900 0.013 0.000 0.987 248 Y CA -2.732 55.376 58.100 0.013 0.000 1.140 248 Y CB 0.924 39.385 38.460 0.001 0.000 1.173 248 Y HN 0.208 nan 8.280 nan 0.000 0.486 249 P HA -0.123 nan 4.420 nan 0.000 0.264 249 P C -0.343 176.974 177.300 0.029 0.000 1.173 249 P CA 0.115 63.238 63.100 0.037 0.000 0.761 249 P CB 0.640 32.322 31.700 -0.031 0.000 0.794 250 K N 2.070 122.472 120.400 0.003 0.000 2.205 250 K HA 0.245 4.565 4.320 -0.000 0.000 0.279 250 K C -0.448 176.107 176.600 -0.074 0.000 1.027 250 K CA -0.205 56.078 56.287 -0.007 0.000 0.932 250 K CB 0.554 33.074 32.500 0.033 0.000 1.032 250 K HN 0.347 nan 8.250 nan 0.000 0.466 251 T N 3.005 117.502 114.554 -0.094 0.000 2.806 251 T HA 0.221 4.571 4.350 -0.000 0.000 0.290 251 T C -0.370 174.206 174.700 -0.208 0.000 0.966 251 T CA -0.582 61.428 62.100 -0.150 0.000 1.060 251 T CB 1.043 69.839 68.868 -0.120 0.000 0.927 251 T HN 0.268 nan 8.240 nan 0.000 0.485 252 V N 5.332 125.018 119.914 -0.381 0.000 2.539 252 V HA 0.526 4.646 4.120 -0.000 0.000 0.292 252 V C 0.264 176.083 176.094 -0.458 0.000 1.045 252 V CA -0.806 61.208 62.300 -0.477 0.000 0.945 252 V CB 1.247 32.591 31.823 -0.797 0.000 0.993 252 V HN 0.744 nan 8.190 nan 0.000 0.464 253 R N 3.230 123.587 120.500 -0.238 0.000 2.473 253 R HA 0.674 5.014 4.340 -0.000 0.000 0.303 253 R C -1.829 174.453 176.300 -0.030 0.000 1.002 253 R CA -0.551 55.466 56.100 -0.139 0.000 0.884 253 R CB 2.104 32.355 30.300 -0.083 0.000 1.173 253 R HN 0.477 nan 8.270 nan 0.000 0.464 254 V N 4.120 124.016 119.914 -0.030 0.000 2.483 254 V HA 0.304 4.424 4.120 -0.000 0.000 0.297 254 V C -2.308 173.825 176.094 0.066 0.000 1.027 254 V CA -2.418 59.919 62.300 0.062 0.000 0.855 254 V CB 2.241 34.051 31.823 -0.022 0.000 0.995 254 V HN 0.567 nan 8.190 nan 0.000 0.424 255 P HA 0.086 nan 4.420 nan 0.000 0.260 255 P C -1.286 176.106 177.300 0.154 0.000 1.207 255 P CA 0.429 63.623 63.100 0.156 0.000 0.780 255 P CB -0.231 31.604 31.700 0.224 0.000 0.789 256 Y N 6.585 126.857 120.300 -0.046 0.000 2.301 256 Y HA 0.394 4.944 4.550 -0.000 0.000 0.325 256 Y C -2.788 173.082 175.900 -0.051 0.000 1.103 256 Y CA -3.090 54.936 58.100 -0.124 0.000 1.182 256 Y CB 1.679 39.956 38.460 -0.306 0.000 1.139 256 Y HN 0.263 nan 8.280 nan 0.000 0.443 257 P HA 0.275 nan 4.420 nan 0.000 0.286 257 P C -0.977 176.350 177.300 0.045 0.000 1.321 257 P CA -0.120 63.002 63.100 0.036 0.000 0.790 257 P CB 1.102 32.802 31.700 0.001 0.000 0.897 258 K N 1.859 122.383 120.400 0.207 0.000 2.127 258 K HA 0.588 4.908 4.320 -0.000 0.000 0.240 258 K C 0.432 177.133 176.600 0.167 0.000 1.024 258 K CA -0.938 55.498 56.287 0.247 0.000 0.918 258 K CB 0.652 33.338 32.500 0.310 0.000 1.108 258 K HN 0.367 nan 8.250 nan 0.000 0.485 259 A N 0.763 123.709 122.820 0.210 0.000 2.553 259 A HA 0.309 4.628 4.320 -0.000 0.000 0.258 259 A C 1.072 178.696 177.584 0.067 0.000 1.069 259 A CA 0.971 53.120 52.037 0.187 0.000 0.767 259 A CB -1.459 17.749 19.000 0.346 0.000 0.997 259 A HN 0.893 nan 8.150 nan 0.000 0.512 260 G N 0.783 109.613 108.800 0.049 0.000 2.141 260 G HA2 0.187 4.147 3.960 -0.000 0.000 0.231 260 G HA3 0.187 4.147 3.960 -0.000 0.000 0.231 260 G C 0.454 175.366 174.900 0.020 0.000 0.984 260 G CA 0.428 45.529 45.100 0.003 0.000 0.660 260 G HN 2.065 nan 8.290 nan 0.000 0.525 261 A N -0.663 122.186 122.820 0.048 0.000 2.247 261 A HA 0.844 5.164 4.320 -0.000 0.000 0.313 261 A C 0.703 178.319 177.584 0.053 0.000 1.109 261 A CA 0.032 52.101 52.037 0.054 0.000 0.890 261 A CB 1.002 20.048 19.000 0.076 0.000 1.239 261 A HN 1.159 nan 8.150 nan 0.000 0.506 262 V N 2.085 122.033 119.914 0.056 0.000 2.485 262 V HA -0.004 4.116 4.120 -0.000 0.000 0.287 262 V C 0.622 176.763 176.094 0.079 0.000 1.022 262 V CA 0.309 62.645 62.300 0.060 0.000 1.067 262 V CB -0.600 31.259 31.823 0.060 0.000 0.967 262 V HN 0.837 nan 8.190 nan 0.000 0.479 263 N N 6.162 124.912 118.700 0.084 0.000 2.493 263 N HA 0.359 5.099 4.740 -0.000 0.000 0.275 263 N C -2.405 173.196 175.510 0.152 0.000 1.186 263 N CA -1.317 51.807 53.050 0.123 0.000 0.978 263 N CB 1.002 39.582 38.487 0.155 0.000 1.184 263 N HN 0.453 nan 8.380 nan 0.000 0.487 264 P HA -0.001 nan 4.420 nan 0.000 0.269 264 P C -0.440 177.022 177.300 0.270 0.000 1.209 264 P CA -0.057 63.201 63.100 0.264 0.000 0.776 264 P CB 0.460 32.359 31.700 0.331 0.000 0.876 265 T N -0.711 113.976 114.554 0.221 0.000 2.862 265 T HA 0.542 4.892 4.350 -0.000 0.000 0.276 265 T C -0.057 174.782 174.700 0.231 0.000 0.974 265 T CA -0.768 61.430 62.100 0.164 0.000 0.966 265 T CB 1.266 70.196 68.868 0.104 0.000 1.072 265 T HN 0.365 nan 8.240 nan 0.000 0.538 266 V N 0.610 120.624 119.914 0.166 0.000 2.851 266 V HA 0.573 4.693 4.120 -0.000 0.000 0.307 266 V C -1.605 174.559 176.094 0.117 0.000 1.129 266 V CA -0.906 61.455 62.300 0.102 0.000 0.932 266 V CB 1.994 33.895 31.823 0.131 0.000 1.024 266 V HN 1.053 nan 8.190 nan 0.000 0.426 267 K N 5.106 125.513 120.400 0.011 0.000 2.238 267 K HA 0.610 4.930 4.320 -0.000 0.000 0.239 267 K C -1.459 175.005 176.600 -0.228 0.000 0.987 267 K CA -0.527 55.711 56.287 -0.081 0.000 0.857 267 K CB 2.659 35.056 32.500 -0.171 0.000 1.154 267 K HN 0.550 nan 8.250 nan 0.000 0.439 268 F N 1.191 120.758 119.950 -0.639 0.000 2.529 268 F HA 0.509 5.036 4.527 -0.000 0.000 0.320 268 F C -1.547 173.611 175.800 -1.070 0.000 1.118 268 F CA -1.019 56.580 58.000 -0.669 0.000 0.915 268 F CB 0.969 39.725 39.000 -0.407 0.000 1.161 268 F HN 0.408 nan 8.300 nan 0.000 0.445 269 F N 4.168 123.369 119.950 -1.248 0.000 2.588 269 F HA 0.763 5.290 4.527 -0.000 0.000 0.314 269 F C -0.923 174.204 175.800 -1.122 0.000 1.069 269 F CA -1.265 56.093 58.000 -1.070 0.000 0.931 269 F CB 2.085 40.409 39.000 -1.127 0.000 1.260 269 F HN 0.119 nan 8.300 nan 0.000 0.465 270 V N 2.685 122.373 119.914 -0.377 0.000 2.525 270 V HA 0.594 4.714 4.120 -0.000 0.000 0.299 270 V C -0.826 175.370 176.094 0.170 0.000 1.034 270 V CA -0.831 61.357 62.300 -0.187 0.000 0.863 270 V CB 1.692 33.239 31.823 -0.460 0.000 0.999 270 V HN 0.557 nan 8.190 nan 0.000 0.423 271 V N 2.993 123.070 119.914 0.272 0.000 2.547 271 V HA 0.500 4.620 4.120 -0.000 0.000 0.299 271 V C 0.059 176.384 176.094 0.385 0.000 1.040 271 V CA -0.816 61.664 62.300 0.300 0.000 0.913 271 V CB 2.011 33.944 31.823 0.182 0.000 0.992 271 V HN 0.846 nan 8.190 nan 0.000 0.449 272 N N 2.022 120.899 118.700 0.294 0.000 2.406 272 N HA 0.117 4.857 4.740 -0.000 0.000 0.251 272 N C 0.776 176.262 175.510 -0.040 0.000 1.069 272 N CA 0.196 53.253 53.050 0.012 0.000 0.947 272 N CB 1.660 40.122 38.487 -0.041 0.000 1.111 272 N HN 0.763 nan 8.380 nan 0.000 0.497 273 T N 1.667 116.190 114.554 -0.052 0.000 3.113 273 T HA 0.028 4.378 4.350 -0.000 0.000 0.256 273 T C 0.399 175.072 174.700 -0.044 0.000 1.131 273 T CA 0.613 62.719 62.100 0.011 0.000 1.074 273 T CB 0.088 69.074 68.868 0.196 0.000 0.944 273 T HN 0.419 nan 8.240 nan 0.000 0.516 274 D N 0.733 121.068 120.400 -0.107 0.000 2.349 274 D HA 0.074 4.714 4.640 -0.000 0.000 0.215 274 D C 1.437 177.683 176.300 -0.090 0.000 1.016 274 D CA 0.374 54.316 54.000 -0.096 0.000 0.870 274 D CB 0.238 40.964 40.800 -0.124 0.000 0.917 274 D HN 0.503 nan 8.370 nan 0.000 0.524 275 S N -0.464 115.175 115.700 -0.102 0.000 2.741 275 S HA 0.255 4.725 4.470 -0.000 0.000 0.247 275 S C 0.378 174.894 174.600 -0.140 0.000 1.050 275 S CA -0.588 57.561 58.200 -0.086 0.000 1.025 275 S CB -0.361 62.816 63.200 -0.038 0.000 0.897 275 S HN -0.031 nan 8.310 nan 0.000 0.508 276 L N 1.892 122.950 121.223 -0.275 0.000 2.367 276 L HA 0.477 4.816 4.340 -0.000 0.000 0.275 276 L C 0.633 177.240 176.870 -0.437 0.000 1.129 276 L CA -0.178 54.362 54.840 -0.500 0.000 0.839 276 L CB 1.077 42.514 42.059 -1.037 0.000 1.133 276 L HN 0.183 nan 8.230 nan 0.000 0.453 277 S N 0.233 115.802 115.700 -0.218 0.000 2.608 277 S HA 0.324 4.794 4.470 -0.000 0.000 0.291 277 S C 0.908 175.623 174.600 0.192 0.000 1.146 277 S CA -0.671 57.529 58.200 -0.000 0.000 1.043 277 S CB 1.630 64.846 63.200 0.025 0.000 1.037 277 S HN 0.666 nan 8.310 nan 0.000 0.520 278 S N 1.390 117.247 115.700 0.263 0.000 2.528 278 S HA -0.001 4.469 4.470 -0.000 0.000 0.219 278 S C 1.332 176.048 174.600 0.194 0.000 0.985 278 S CA 0.603 58.980 58.200 0.294 0.000 0.914 278 S CB 0.055 63.379 63.200 0.207 0.000 0.776 278 S HN 0.778 nan 8.310 nan 0.000 0.526 279 V N -2.333 117.668 119.914 0.144 0.000 3.485 279 V HA 0.314 4.434 4.120 -0.000 0.000 0.280 279 V C 0.138 176.282 176.094 0.084 0.000 1.495 279 V CA -0.150 62.214 62.300 0.106 0.000 1.018 279 V CB -0.137 31.731 31.823 0.074 0.000 0.818 279 V HN 0.172 nan 8.190 nan 0.000 0.436 280 T N 3.170 117.774 114.554 0.083 0.000 2.744 280 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 280 T C -0.151 174.599 174.700 0.084 0.000 0.957 280 T CA -0.135 61.999 62.100 0.057 0.000 1.002 280 T CB 0.673 69.563 68.868 0.035 0.000 0.919 280 T HN 0.314 nan 8.240 nan 0.000 0.468 281 N N 2.611 121.350 118.700 0.065 0.000 2.412 281 N HA 0.224 4.964 4.740 -0.000 0.000 0.258 281 N C 0.346 175.905 175.510 0.083 0.000 1.236 281 N CA -0.031 53.081 53.050 0.104 0.000 0.882 281 N CB 0.375 38.844 38.487 -0.029 0.000 1.066 281 N HN 0.840 nan 8.380 nan 0.000 0.465 282 A N 2.331 125.217 122.820 0.111 0.000 2.520 282 A HA 0.154 4.474 4.320 -0.000 0.000 0.235 282 A C 0.323 177.940 177.584 0.055 0.000 1.065 282 A CA 0.234 52.303 52.037 0.054 0.000 0.764 282 A CB 0.067 19.088 19.000 0.034 0.000 1.002 282 A HN 0.552 nan 8.150 nan 0.000 0.502 283 T N 2.680 117.269 114.554 0.058 0.000 2.753 283 T HA 0.384 4.734 4.350 -0.000 0.000 0.297 283 T C 0.077 174.847 174.700 0.116 0.000 0.981 283 T CA 0.103 62.249 62.100 0.077 0.000 0.956 283 T CB 0.477 69.397 68.868 0.087 0.000 0.936 283 T HN 0.538 nan 8.240 nan 0.000 0.463 284 S N 3.454 119.210 115.700 0.094 0.000 2.438 284 S HA 0.456 4.925 4.470 -0.000 0.000 0.293 284 S C 0.169 174.891 174.600 0.203 0.000 1.141 284 S CA -0.623 57.656 58.200 0.131 0.000 1.080 284 S CB 0.165 63.361 63.200 -0.008 0.000 0.978 284 S HN 0.497 nan 8.310 nan 0.000 0.479 285 I N 3.229 123.957 120.570 0.263 0.000 2.342 285 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 285 I C 0.542 176.813 176.117 0.257 0.000 1.010 285 I CA -0.167 61.305 61.300 0.287 0.000 1.308 285 I CB 1.115 39.335 38.000 0.368 0.000 1.400 285 I HN 0.546 nan 8.210 nan 0.000 0.488 286 Q N 6.031 125.981 119.800 0.250 0.000 2.314 286 Q HA 0.426 4.766 4.340 -0.000 0.000 0.258 286 Q C -1.000 174.951 176.000 -0.081 0.000 0.954 286 Q CA -0.148 55.620 55.803 -0.058 0.000 0.890 286 Q CB 0.812 29.541 28.738 -0.014 0.000 1.210 286 Q HN 0.555 nan 8.270 nan 0.000 0.410 287 I N 3.749 124.217 120.570 -0.170 0.000 2.330 287 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 287 I C -0.156 175.954 176.117 -0.011 0.000 1.001 287 I CA -0.586 60.700 61.300 -0.022 0.000 1.193 287 I CB 1.783 39.811 38.000 0.047 0.000 1.345 287 I HN 0.593 nan 8.210 nan 0.000 0.461 288 T N 5.393 119.919 114.554 -0.048 0.000 2.897 288 T HA 0.411 4.761 4.350 -0.000 0.000 0.294 288 T C 0.501 175.052 174.700 -0.249 0.000 1.004 288 T CA -0.406 61.619 62.100 -0.125 0.000 1.106 288 T CB 1.271 70.068 68.868 -0.117 0.000 0.949 288 T HN 0.686 nan 8.240 nan 0.000 0.520 289 A N 4.540 127.007 122.820 -0.588 0.000 2.406 289 A HA 0.509 4.829 4.320 -0.000 0.000 0.243 289 A C -2.188 174.946 177.584 -0.750 0.000 1.082 289 A CA -1.257 50.004 52.037 -1.294 0.000 0.786 289 A CB -0.529 17.256 19.000 -2.026 0.000 1.029 289 A HN 0.527 nan 8.150 nan 0.000 0.495 290 P HA 0.208 nan 4.420 nan 0.000 0.269 290 P C 0.833 177.915 177.300 -0.363 0.000 1.215 290 P CA 0.603 63.472 63.100 -0.385 0.000 0.780 290 P CB 0.599 32.130 31.700 -0.281 0.000 0.898 291 A N 2.278 124.955 122.820 -0.238 0.000 1.971 291 A HA -0.244 4.076 4.320 -0.000 0.000 0.222 291 A C 1.965 179.428 177.584 -0.203 0.000 1.182 291 A CA 2.595 54.513 52.037 -0.197 0.000 0.649 291 A CB -1.746 17.175 19.000 -0.132 0.000 0.818 291 A HN 0.631 nan 8.150 nan 0.000 0.458 292 S N -2.190 113.399 115.700 -0.184 0.000 2.603 292 S HA 0.150 4.620 4.470 -0.000 0.000 0.220 292 S C 1.475 175.947 174.600 -0.213 0.000 0.967 292 S CA 0.811 58.910 58.200 -0.168 0.000 0.920 292 S CB -0.015 63.138 63.200 -0.080 0.000 0.773 292 S HN 0.380 nan 8.310 nan 0.000 0.529 293 M N 0.634 120.041 119.600 -0.321 0.000 2.567 293 M HA 0.400 4.880 4.480 -0.000 0.000 0.261 293 M C 1.401 177.345 176.300 -0.594 0.000 1.180 293 M CA 0.584 55.619 55.300 -0.443 0.000 1.143 293 M CB -0.768 31.450 32.600 -0.638 0.000 1.319 293 M HN 0.343 nan 8.290 nan 0.000 0.490 294 L N 0.468 121.393 121.223 -0.497 0.000 2.599 294 L HA 0.014 4.354 4.340 -0.000 0.000 0.230 294 L C 2.132 178.901 176.870 -0.169 0.000 1.141 294 L CA 0.172 54.803 54.840 -0.347 0.000 0.877 294 L CB -0.648 41.243 42.059 -0.280 0.000 1.009 294 L HN 0.242 nan 8.230 nan 0.000 0.447 295 I N -1.761 118.713 120.570 -0.160 0.000 3.001 295 I HA 0.206 4.376 4.170 -0.000 0.000 0.268 295 I C 0.869 176.947 176.117 -0.065 0.000 1.267 295 I CA 0.476 61.714 61.300 -0.105 0.000 1.472 295 I CB -0.091 37.840 38.000 -0.114 0.000 1.089 295 I HN 0.045 nan 8.210 nan 0.000 0.468 296 G N -0.340 108.438 108.800 -0.037 0.000 2.548 296 G HA2 0.212 4.172 3.960 -0.000 0.000 0.301 296 G HA3 0.212 4.172 3.960 -0.000 0.000 0.301 296 G C -1.861 173.093 174.900 0.090 0.000 1.349 296 G CA -0.717 44.384 45.100 0.003 0.000 0.792 296 G HN 0.033 nan 8.290 nan 0.000 0.481 297 D N 0.936 121.344 120.400 0.013 0.000 2.533 297 D HA 0.408 5.048 4.640 -0.000 0.000 0.236 297 D C 0.463 176.706 176.300 -0.096 0.000 1.137 297 D CA 1.057 55.015 54.000 -0.070 0.000 0.867 297 D CB 0.476 41.200 40.800 -0.127 0.000 1.170 297 D HN 0.627 nan 8.370 nan 0.000 0.474 298 H N -1.185 117.737 119.070 -0.246 0.000 2.960 298 H HA 0.662 5.218 4.556 -0.000 0.000 0.338 298 H C -1.337 173.811 175.328 -0.299 0.000 1.261 298 H CA -1.009 54.891 56.048 -0.248 0.000 1.136 298 H CB 0.738 30.478 29.762 -0.036 0.000 1.875 298 H HN 0.255 nan 8.280 nan 0.000 0.550 299 Y N -0.478 120.031 120.300 0.347 0.000 2.605 299 Y HA 0.347 4.897 4.550 -0.000 0.000 0.343 299 Y C -0.700 175.464 175.900 0.440 0.000 1.036 299 Y CA -1.422 56.888 58.100 0.350 0.000 1.065 299 Y CB 1.784 40.314 38.460 0.115 0.000 1.288 299 Y HN 0.490 nan 8.280 nan 0.000 0.481 300 L N 3.010 124.519 121.223 0.476 0.000 2.260 300 L HA 0.228 4.568 4.340 -0.000 0.000 0.289 300 L C 0.428 177.395 176.870 0.163 0.000 1.057 300 L CA -0.081 54.725 54.840 -0.056 0.000 0.811 300 L CB 0.629 42.536 42.059 -0.252 0.000 1.184 300 L HN 1.145 nan 8.230 nan 0.000 0.429 301 C N 1.364 120.675 119.300 0.018 0.000 3.188 301 C HA 0.427 4.887 4.460 -0.000 0.000 0.315 301 C C 0.395 175.490 174.990 0.175 0.000 1.285 301 C CA -0.473 58.571 59.018 0.045 0.000 1.729 301 C CB 0.082 27.835 27.740 0.022 0.000 2.257 301 C HN 0.824 nan 8.230 nan 0.000 0.645 302 D N -0.036 120.372 120.400 0.013 0.000 2.787 302 D HA 0.408 5.048 4.640 -0.000 0.000 0.215 302 D C -1.934 174.091 176.300 -0.458 0.000 1.246 302 D CA 0.128 54.074 54.000 -0.090 0.000 0.798 302 D CB 2.683 43.434 40.800 -0.082 0.000 1.649 302 D HN 0.047 nan 8.370 nan 0.000 0.507 303 V N 2.353 121.900 119.914 -0.612 0.000 2.623 303 V HA 0.565 4.685 4.120 -0.000 0.000 0.304 303 V C -0.373 175.348 176.094 -0.622 0.000 1.054 303 V CA -0.414 61.310 62.300 -0.960 0.000 0.882 303 V CB 2.010 32.723 31.823 -1.850 0.000 1.002 303 V HN 0.626 nan 8.190 nan 0.000 0.424 304 T N 3.403 117.665 114.554 -0.487 0.000 2.928 304 T HA 0.388 4.738 4.350 -0.000 0.000 0.296 304 T C -0.884 173.636 174.700 -0.300 0.000 1.000 304 T CA -0.432 61.531 62.100 -0.227 0.000 0.989 304 T CB 0.957 69.769 68.868 -0.094 0.000 1.005 304 T HN 0.526 nan 8.240 nan 0.000 0.442 305 W N 2.060 123.285 121.300 -0.124 0.000 2.216 305 W HA 0.473 5.133 4.660 -0.000 0.000 0.326 305 W C 1.089 177.466 176.519 -0.236 0.000 1.319 305 W CA -0.297 56.970 57.345 -0.130 0.000 1.213 305 W CB 0.566 30.034 29.460 0.014 0.000 1.171 305 W HN 0.852 nan 8.180 nan 0.000 0.557 306 A N 2.005 124.711 122.820 -0.190 0.000 1.993 306 A HA 0.238 4.558 4.320 -0.000 0.000 0.207 306 A C 0.827 178.324 177.584 -0.145 0.000 1.224 306 A CA 1.428 53.092 52.037 -0.623 0.000 0.749 306 A CB -0.185 18.077 19.000 -1.229 0.000 0.884 306 A HN 0.531 nan 8.150 nan 0.000 0.467 307 T N -5.355 109.240 114.554 0.069 0.000 2.645 307 T HA 0.295 4.645 4.350 -0.000 0.000 0.300 307 T C -0.076 174.793 174.700 0.281 0.000 1.210 307 T CA -0.295 61.898 62.100 0.156 0.000 1.034 307 T CB 0.541 69.485 68.868 0.127 0.000 1.537 307 T HN -0.044 nan 8.240 nan 0.000 0.492 308 Q N 0.153 120.083 119.800 0.217 0.000 2.364 308 Q HA 0.066 4.406 4.340 -0.000 0.000 0.207 308 Q C 0.782 177.007 176.000 0.376 0.000 0.970 308 Q CA 1.278 57.210 55.803 0.215 0.000 0.888 308 Q CB 0.004 28.831 28.738 0.148 0.000 0.951 308 Q HN 0.801 nan 8.270 nan 0.000 0.469 309 E N -0.182 120.258 120.200 0.400 0.000 2.846 309 E HA 0.178 4.528 4.350 -0.000 0.000 0.211 309 E C -0.362 176.489 176.600 0.418 0.000 0.975 309 E CA -0.141 56.488 56.400 0.382 0.000 1.211 309 E CB 1.019 30.867 29.700 0.248 0.000 1.052 309 E HN -0.032 nan 8.360 nan 0.000 0.487 310 R N 1.729 122.495 120.500 0.443 0.000 2.514 310 R HA 0.433 4.773 4.340 -0.000 0.000 0.296 310 R C -1.317 174.954 176.300 -0.048 0.000 1.012 310 R CA -0.346 55.882 56.100 0.212 0.000 0.897 310 R CB 0.897 31.227 30.300 0.051 0.000 1.184 310 R HN -0.029 nan 8.270 nan 0.000 0.440 311 I N 1.174 121.542 120.570 -0.337 0.000 2.562 311 I HA 0.422 4.592 4.170 -0.000 0.000 0.301 311 I C -0.123 175.660 176.117 -0.557 0.000 1.003 311 I CA -1.051 59.775 61.300 -0.791 0.000 1.127 311 I CB 2.112 39.287 38.000 -1.375 0.000 1.304 311 I HN 0.401 nan 8.210 nan 0.000 0.446 312 S N 5.748 121.099 115.700 -0.582 0.000 2.437 312 S HA 0.695 5.165 4.470 -0.000 0.000 0.305 312 S C -0.808 173.465 174.600 -0.546 0.000 1.109 312 S CA -0.570 57.378 58.200 -0.420 0.000 1.099 312 S CB 0.522 63.577 63.200 -0.242 0.000 1.004 312 S HN 0.484 nan 8.310 nan 0.000 0.475 313 L N 4.801 125.731 121.223 -0.487 0.000 2.372 313 L HA 0.480 4.820 4.340 -0.000 0.000 0.274 313 L C -0.231 176.381 176.870 -0.430 0.000 0.988 313 L CA -0.494 53.959 54.840 -0.645 0.000 0.833 313 L CB 1.904 43.568 42.059 -0.658 0.000 1.236 313 L HN 0.599 nan 8.230 nan 0.000 0.410 314 Q N 1.828 121.356 119.800 -0.452 0.000 2.245 314 Q HA 0.472 4.812 4.340 -0.000 0.000 0.256 314 Q C -1.519 174.307 176.000 -0.291 0.000 0.942 314 Q CA -0.419 55.246 55.803 -0.231 0.000 0.896 314 Q CB 2.430 31.067 28.738 -0.168 0.000 1.272 314 Q HN 0.416 nan 8.270 nan 0.000 0.442 315 W N 1.534 122.806 121.300 -0.046 0.000 3.017 315 W HA 0.664 5.324 4.660 -0.000 0.000 0.341 315 W C -1.184 175.380 176.519 0.076 0.000 1.180 315 W CA -0.557 56.807 57.345 0.032 0.000 1.097 315 W CB 1.098 30.564 29.460 0.010 0.000 1.468 315 W HN 0.360 nan 8.180 nan 0.000 0.584 316 L N 1.119 122.590 121.223 0.414 0.000 2.466 316 L HA 0.563 4.903 4.340 -0.000 0.000 0.258 316 L C -0.348 176.674 176.870 0.254 0.000 0.973 316 L CA -1.301 53.719 54.840 0.299 0.000 0.826 316 L CB 1.843 44.082 42.059 0.300 0.000 1.372 316 L HN 0.453 nan 8.230 nan 0.000 0.409 317 R N 1.293 121.914 120.500 0.201 0.000 2.649 317 R HA 0.351 4.691 4.340 -0.000 0.000 0.270 317 R C 1.077 177.376 176.300 -0.001 0.000 1.105 317 R CA 0.003 56.156 56.100 0.087 0.000 1.193 317 R CB 0.673 31.016 30.300 0.073 0.000 1.120 317 R HN 0.664 nan 8.270 nan 0.000 0.561 318 R N 1.084 121.516 120.500 -0.112 0.000 2.093 318 R HA 0.050 4.390 4.340 -0.000 0.000 0.224 318 R C 0.156 176.461 176.300 0.008 0.000 1.101 318 R CA 0.816 56.828 56.100 -0.147 0.000 0.979 318 R CB 0.012 30.189 30.300 -0.206 0.000 0.877 318 R HN 0.455 nan 8.270 nan 0.000 0.441 319 I N 2.729 123.301 120.570 0.003 0.000 2.483 319 I HA -0.053 4.117 4.170 -0.000 0.000 0.291 319 I C 0.422 176.574 176.117 0.058 0.000 1.112 319 I CA 0.576 61.890 61.300 0.024 0.000 1.350 319 I CB 1.133 39.140 38.000 0.012 0.000 1.419 319 I HN 0.153 nan 8.210 nan 0.000 0.523 320 Q N 4.703 124.536 119.800 0.056 0.000 2.600 320 Q HA 0.033 4.373 4.340 -0.000 0.000 0.276 320 Q C 0.930 177.003 176.000 0.122 0.000 1.006 320 Q CA -0.073 55.786 55.803 0.094 0.000 0.942 320 Q CB -0.175 28.590 28.738 0.045 0.000 1.383 320 Q HN 0.529 nan 8.270 nan 0.000 0.414 321 N N -0.253 118.523 118.700 0.126 0.000 2.392 321 N HA -0.016 4.724 4.740 -0.000 0.000 0.177 321 N C -1.083 174.535 175.510 0.180 0.000 1.066 321 N CA 0.503 53.628 53.050 0.125 0.000 0.895 321 N CB 0.573 39.130 38.487 0.117 0.000 0.988 321 N HN 0.342 nan 8.380 nan 0.000 0.457 322 Y N -0.058 120.263 120.300 0.036 0.000 2.333 322 Y HA 0.299 4.849 4.550 -0.000 0.000 0.319 322 Y C -1.188 174.743 175.900 0.051 0.000 1.200 322 Y CA -0.834 57.285 58.100 0.032 0.000 1.084 322 Y CB 0.872 39.341 38.460 0.014 0.000 1.268 322 Y HN -0.121 nan 8.280 nan 0.000 0.422 323 S N 4.886 120.519 115.700 -0.111 0.000 2.569 323 S HA 0.924 5.394 4.470 -0.000 0.000 0.280 323 S C -2.209 172.338 174.600 -0.088 0.000 1.111 323 S CA -0.503 57.709 58.200 0.019 0.000 0.887 323 S CB 1.924 65.149 63.200 0.042 0.000 1.095 323 S HN 0.546 nan 8.310 nan 0.000 0.476 324 V N 3.550 123.503 119.914 0.065 0.000 2.709 324 V HA 0.570 4.690 4.120 -0.000 0.000 0.308 324 V C -0.462 175.688 176.094 0.093 0.000 1.062 324 V CA -0.676 61.656 62.300 0.054 0.000 0.901 324 V CB 1.793 33.672 31.823 0.092 0.000 1.003 324 V HN 1.018 nan 8.190 nan 0.000 0.425 325 M N 3.700 123.325 119.600 0.041 0.000 2.149 325 M HA 0.573 5.053 4.480 -0.000 0.000 0.342 325 M C -1.388 174.938 176.300 0.044 0.000 1.068 325 M CA -0.222 55.078 55.300 -0.001 0.000 0.991 325 M CB 1.173 33.710 32.600 -0.105 0.000 1.596 325 M HN 0.607 nan 8.290 nan 0.000 0.439 326 D N 5.058 125.478 120.400 0.033 0.000 2.217 326 D HA 0.472 5.112 4.640 -0.000 0.000 0.243 326 D C -1.178 175.105 176.300 -0.028 0.000 1.054 326 D CA -0.072 53.945 54.000 0.028 0.000 0.838 326 D CB 1.540 42.379 40.800 0.065 0.000 1.162 326 D HN 0.609 nan 8.370 nan 0.000 0.472 327 I N 3.134 123.714 120.570 0.017 0.000 2.328 327 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 327 I C -0.422 175.709 176.117 0.023 0.000 1.012 327 I CA -0.349 60.955 61.300 0.007 0.000 1.195 327 I CB 0.864 38.922 38.000 0.096 0.000 1.350 327 I HN 0.244 nan 8.210 nan 0.000 0.464 328 c N 4.409 123.007 118.600 -0.003 0.000 2.295 328 c HA 0.482 5.052 4.570 -0.000 0.000 0.331 328 c C 0.113 174.363 174.090 0.265 0.000 1.280 328 c CA -0.707 55.693 56.329 0.117 0.000 1.746 328 c CB 0.190 42.751 42.510 0.086 0.000 2.328 328 c HN 0.583 nan 8.230 nan 0.000 0.521 329 D N 0.217 120.756 120.400 0.233 0.000 2.217 329 D HA 0.347 4.987 4.640 -0.000 0.000 0.248 329 D C -0.779 175.505 176.300 -0.026 0.000 1.008 329 D CA -0.136 53.948 54.000 0.142 0.000 0.914 329 D CB 0.854 41.683 40.800 0.048 0.000 1.182 329 D HN 0.600 nan 8.370 nan 0.000 0.451 330 Y N 1.279 121.270 120.300 -0.514 0.000 2.335 330 Y HA 0.266 4.816 4.550 -0.000 0.000 0.339 330 Y C -0.473 175.142 175.900 -0.475 0.000 0.987 330 Y CA -0.824 56.653 58.100 -1.038 0.000 1.140 330 Y CB 0.842 38.472 38.460 -1.385 0.000 1.173 330 Y HN 0.147 nan 8.280 nan 0.000 0.486 331 D N 5.605 125.397 120.400 -1.014 0.000 2.339 331 D HA -0.015 4.624 4.640 -0.000 0.000 0.256 331 D C 1.151 176.822 176.300 -1.048 0.000 1.214 331 D CA 0.139 53.691 54.000 -0.745 0.000 0.877 331 D CB 0.847 41.379 40.800 -0.446 0.000 1.111 331 D HN 0.816 nan 8.370 nan 0.000 0.478 332 E N 2.250 122.096 120.200 -0.589 0.000 2.051 332 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 332 E C 1.152 177.628 176.600 -0.206 0.000 0.991 332 E CA 1.457 57.671 56.400 -0.310 0.000 0.799 332 E CB -0.304 29.353 29.700 -0.072 0.000 0.748 332 E HN 0.383 nan 8.360 nan 0.000 0.449 333 S N 0.488 116.081 115.700 -0.178 0.000 2.387 333 S HA -0.035 4.434 4.470 -0.000 0.000 0.226 333 S C 2.257 176.795 174.600 -0.103 0.000 1.026 333 S CA 1.124 59.263 58.200 -0.102 0.000 0.972 333 S CB -0.185 62.968 63.200 -0.078 0.000 0.814 333 S HN 0.274 nan 8.310 nan 0.000 0.477 334 S N 0.370 115.972 115.700 -0.162 0.000 2.458 334 S HA 0.346 4.815 4.470 -0.000 0.000 0.223 334 S C 1.578 176.121 174.600 -0.096 0.000 1.019 334 S CA 0.879 59.008 58.200 -0.118 0.000 0.937 334 S CB -0.687 62.437 63.200 -0.125 0.000 0.788 334 S HN 1.155 nan 8.310 nan 0.000 0.511 335 G N 1.054 109.740 108.800 -0.191 0.000 2.162 335 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 335 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 335 G C 0.194 175.114 174.900 0.032 0.000 0.976 335 G CA 0.595 45.693 45.100 -0.003 0.000 0.655 335 G HN 0.592 nan 8.290 nan 0.000 0.533 336 R N -1.417 118.998 120.500 -0.142 0.000 2.596 336 R HA 0.670 5.010 4.340 -0.000 0.000 0.267 336 R C -0.866 175.341 176.300 -0.155 0.000 1.026 336 R CA -0.691 55.395 56.100 -0.024 0.000 1.087 336 R CB 0.584 30.875 30.300 -0.015 0.000 1.132 336 R HN 0.183 nan 8.270 nan 0.000 0.531 337 W N 1.842 123.166 121.300 0.040 0.000 2.411 337 W HA 0.432 5.092 4.660 -0.000 0.000 0.317 337 W C -0.681 175.833 176.519 -0.008 0.000 1.030 337 W CA -0.532 56.829 57.345 0.027 0.000 1.239 337 W CB 1.183 30.658 29.460 0.025 0.000 1.304 337 W HN 0.301 nan 8.180 nan 0.000 0.437 338 N N 2.783 121.573 118.700 0.149 0.000 2.400 338 N HA 0.423 5.163 4.740 -0.000 0.000 0.288 338 N C -1.303 174.262 175.510 0.092 0.000 1.024 338 N CA -0.502 52.601 53.050 0.089 0.000 0.894 338 N CB 1.755 40.255 38.487 0.022 0.000 1.173 338 N HN 0.215 nan 8.380 nan 0.000 0.487 339 c N 2.718 121.356 118.600 0.062 0.000 2.258 339 c HA 0.329 4.899 4.570 -0.000 0.000 0.321 339 c C 0.273 174.373 174.090 0.017 0.000 1.168 339 c CA -1.043 55.311 56.329 0.041 0.000 1.531 339 c CB -1.196 41.330 42.510 0.026 0.000 2.095 339 c HN 0.504 nan 8.230 nan 0.000 0.449 340 L N 3.375 124.610 121.223 0.019 0.000 2.534 340 L HA 0.039 4.379 4.340 -0.000 0.000 0.271 340 L C 1.560 178.426 176.870 -0.006 0.000 1.178 340 L CA 0.399 55.242 54.840 0.005 0.000 0.907 340 L CB 0.119 42.184 42.059 0.010 0.000 1.164 340 L HN 0.643 nan 8.230 nan 0.000 0.482 341 V N 4.008 123.910 119.914 -0.020 0.000 2.282 341 V HA -0.342 3.778 4.120 -0.000 0.000 0.249 341 V C 2.204 178.274 176.094 -0.040 0.000 1.057 341 V CA 2.019 64.300 62.300 -0.031 0.000 1.032 341 V CB -0.996 30.806 31.823 -0.035 0.000 0.645 341 V HN 0.993 nan 8.190 nan 0.000 0.447 342 A N -1.053 121.746 122.820 -0.035 0.000 2.259 342 A HA -0.142 4.178 4.320 -0.000 0.000 0.212 342 A C 2.280 179.829 177.584 -0.059 0.000 1.178 342 A CA 1.374 53.384 52.037 -0.045 0.000 0.734 342 A CB -0.543 18.439 19.000 -0.030 0.000 0.774 342 A HN 0.523 nan 8.150 nan 0.000 0.481 343 R N -1.085 119.388 120.500 -0.045 0.000 2.446 343 R HA 0.126 4.466 4.340 -0.000 0.000 0.254 343 R C 0.115 176.386 176.300 -0.048 0.000 0.918 343 R CA -0.096 55.990 56.100 -0.023 0.000 1.069 343 R CB 0.234 30.561 30.300 0.046 0.000 1.194 343 R HN 0.671 nan 8.270 nan 0.000 0.534 344 Q N -0.309 119.445 119.800 -0.076 0.000 2.492 344 Q HA 0.059 4.398 4.340 -0.000 0.000 0.238 344 Q C -0.840 175.045 176.000 -0.192 0.000 1.045 344 Q CA 0.623 56.399 55.803 -0.045 0.000 0.934 344 Q CB 0.580 29.298 28.738 -0.032 0.000 1.276 344 Q HN 0.183 nan 8.270 nan 0.000 0.521 345 H N -0.318 118.757 119.070 0.008 0.000 2.840 345 H HA 0.432 4.988 4.556 -0.000 0.000 0.340 345 H C -1.093 174.214 175.328 -0.036 0.000 1.004 345 H CA -0.324 55.735 56.048 0.018 0.000 1.288 345 H CB 0.959 30.739 29.762 0.030 0.000 1.607 345 H HN 0.396 nan 8.280 nan 0.000 0.522 346 I N 2.664 123.253 120.570 0.032 0.000 2.460 346 I HA 0.298 4.468 4.170 -0.000 0.000 0.298 346 I C -0.276 175.785 176.117 -0.092 0.000 0.989 346 I CA -0.397 60.835 61.300 -0.113 0.000 1.173 346 I CB 1.558 39.450 38.000 -0.180 0.000 1.338 346 I HN 0.514 nan 8.210 nan 0.000 0.456 347 E N 6.981 127.066 120.200 -0.192 0.000 2.256 347 E HA 0.628 4.978 4.350 -0.000 0.000 0.268 347 E C -1.256 175.223 176.600 -0.202 0.000 0.877 347 E CA -0.728 55.601 56.400 -0.118 0.000 0.757 347 E CB 2.685 32.360 29.700 -0.042 0.000 1.183 347 E HN 0.447 nan 8.360 nan 0.000 0.418 348 M N 1.223 120.754 119.600 -0.115 0.000 2.658 348 M HA 0.491 4.971 4.480 -0.000 0.000 0.295 348 M C -0.631 175.654 176.300 -0.025 0.000 1.248 348 M CA -1.018 54.242 55.300 -0.066 0.000 0.843 348 M CB 2.530 35.121 32.600 -0.015 0.000 1.749 348 M HN 0.466 nan 8.290 nan 0.000 0.464 349 S N -0.517 115.174 115.700 -0.015 0.000 2.540 349 S HA 0.570 5.040 4.470 -0.000 0.000 0.275 349 S C -0.214 174.357 174.600 -0.047 0.000 1.123 349 S CA -0.501 57.666 58.200 -0.055 0.000 0.907 349 S CB 1.823 64.944 63.200 -0.132 0.000 1.081 349 S HN 0.738 nan 8.310 nan 0.000 0.476 350 T N 1.975 116.497 114.554 -0.053 0.000 3.001 350 T HA 0.148 4.498 4.350 -0.000 0.000 0.251 350 T C 1.359 176.017 174.700 -0.070 0.000 1.040 350 T CA 0.396 62.472 62.100 -0.039 0.000 0.985 350 T CB -0.033 68.824 68.868 -0.019 0.000 1.011 350 T HN 0.609 nan 8.240 nan 0.000 0.509 351 T N 0.646 115.126 114.554 -0.124 0.000 3.044 351 T HA 0.462 4.812 4.350 -0.000 0.000 0.255 351 T C 1.136 175.630 174.700 -0.344 0.000 1.073 351 T CA 0.997 63.009 62.100 -0.145 0.000 1.125 351 T CB 0.066 68.898 68.868 -0.059 0.000 0.908 351 T HN 0.583 nan 8.240 nan 0.000 0.480 352 G N -0.283 108.173 108.800 -0.573 0.000 2.704 352 G HA2 0.443 4.403 3.960 -0.000 0.000 0.118 352 G HA3 0.443 4.403 3.960 -0.000 0.000 0.118 352 G C -1.710 172.988 174.900 -0.337 0.000 1.197 352 G CA -0.322 44.336 45.100 -0.736 0.000 1.152 352 G HN 0.422 nan 8.290 nan 0.000 0.571 353 W N -0.013 121.025 121.300 -0.436 0.000 2.578 353 W HA 0.769 5.429 4.660 -0.000 0.000 0.364 353 W C -0.473 175.988 176.519 -0.098 0.000 1.144 353 W CA -1.401 55.822 57.345 -0.203 0.000 1.242 353 W CB 1.207 30.545 29.460 -0.204 0.000 1.382 353 W HN 0.275 nan 8.180 nan 0.000 0.625 354 V N 3.683 123.692 119.914 0.159 0.000 2.389 354 V HA 0.610 4.730 4.120 -0.000 0.000 0.264 354 V C 0.814 177.003 176.094 0.158 0.000 1.049 354 V CA 0.652 63.005 62.300 0.087 0.000 0.932 354 V CB -0.370 31.500 31.823 0.080 0.000 1.011 354 V HN 1.260 nan 8.190 nan 0.000 0.475 355 G N 5.392 114.242 108.800 0.083 0.000 2.756 355 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.678 355 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.678 355 G C 0.325 175.331 174.900 0.177 0.000 1.349 355 G CA 0.019 45.197 45.100 0.131 0.000 0.847 355 G HN 0.614 nan 8.290 nan 0.000 0.548 356 R N -0.648 119.956 120.500 0.174 0.000 2.081 356 R HA 0.083 4.423 4.340 -0.000 0.000 0.235 356 R C 1.837 178.133 176.300 -0.007 0.000 1.131 356 R CA 2.257 58.421 56.100 0.107 0.000 0.960 356 R CB -0.080 30.311 30.300 0.153 0.000 0.856 356 R HN 0.493 nan 8.270 nan 0.000 0.436 357 F N -1.262 118.860 119.950 0.287 0.000 2.856 357 F HA 0.253 4.780 4.527 -0.000 0.000 0.338 357 F C 0.496 176.351 175.800 0.091 0.000 1.005 357 F CA -0.578 57.529 58.000 0.178 0.000 1.155 357 F CB 0.762 39.854 39.000 0.152 0.000 1.010 357 F HN -0.139 nan 8.300 nan 0.000 0.587 358 R N -0.453 120.223 120.500 0.293 0.000 2.733 358 R HA 0.493 4.833 4.340 -0.000 0.000 0.272 358 R C -3.339 173.060 176.300 0.164 0.000 1.029 358 R CA -1.942 54.260 56.100 0.169 0.000 0.888 358 R CB 0.511 30.875 30.300 0.106 0.000 1.251 358 R HN -0.352 nan 8.270 nan 0.000 0.464 359 P HA -0.018 nan 4.420 nan 0.000 0.266 359 P C -0.199 177.153 177.300 0.085 0.000 1.195 359 P CA 0.097 63.249 63.100 0.087 0.000 0.768 359 P CB 0.692 32.421 31.700 0.047 0.000 0.838 360 S N 1.381 117.134 115.700 0.088 0.000 2.587 360 S HA 0.039 4.509 4.470 -0.000 0.000 0.260 360 S C 0.119 174.756 174.600 0.061 0.000 1.353 360 S CA -0.624 57.638 58.200 0.104 0.000 0.995 360 S CB 0.349 63.622 63.200 0.122 0.000 0.912 360 S HN 0.615 nan 8.310 nan 0.000 0.568 361 E N 1.327 121.590 120.200 0.105 0.000 2.216 361 E HA 0.383 4.733 4.350 -0.000 0.000 0.279 361 E C -2.700 173.923 176.600 0.038 0.000 0.997 361 E CA -2.544 53.879 56.400 0.040 0.000 0.817 361 E CB 0.975 30.712 29.700 0.061 0.000 1.096 361 E HN 0.408 nan 8.360 nan 0.000 0.393 362 P HA 0.215 nan 4.420 nan 0.000 0.284 362 P C -1.362 175.864 177.300 -0.125 0.000 1.253 362 P CA -0.293 62.685 63.100 -0.203 0.000 0.800 362 P CB 0.650 31.885 31.700 -0.775 0.000 0.961 363 H N 1.418 120.509 119.070 0.036 0.000 2.587 363 H HA 0.445 5.001 4.556 -0.000 0.000 0.325 363 H C -0.534 174.923 175.328 0.215 0.000 1.012 363 H CA -0.151 56.009 56.048 0.187 0.000 1.213 363 H CB 0.227 30.115 29.762 0.210 0.000 1.431 363 H HN 0.244 nan 8.280 nan 0.000 0.492 364 F N 1.413 121.537 119.950 0.289 0.000 2.397 364 F HA 0.226 4.753 4.527 -0.000 0.000 0.331 364 F C 1.054 177.042 175.800 0.314 0.000 1.090 364 F CA -0.770 57.411 58.000 0.301 0.000 1.065 364 F CB 1.177 40.289 39.000 0.186 0.000 1.184 364 F HN 0.463 nan 8.300 nan 0.000 0.499 365 T N 0.857 115.716 114.554 0.508 0.000 2.855 365 T HA -0.014 4.335 4.350 -0.000 0.000 0.322 365 T C 1.176 176.079 174.700 0.338 0.000 1.088 365 T CA -0.687 61.653 62.100 0.399 0.000 1.104 365 T CB 0.578 69.656 68.868 0.351 0.000 0.996 365 T HN 0.585 nan 8.240 nan 0.000 0.549 366 L N 1.841 123.215 121.223 0.252 0.000 1.990 366 L HA -0.120 4.220 4.340 -0.000 0.000 0.213 366 L C 2.174 179.157 176.870 0.188 0.000 1.072 366 L CA 2.552 57.511 54.840 0.199 0.000 0.755 366 L CB -1.236 40.916 42.059 0.155 0.000 0.889 366 L HN 0.944 nan 8.230 nan 0.000 0.432 367 D N -1.310 119.202 120.400 0.186 0.000 2.263 367 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 367 D C 1.691 178.100 176.300 0.182 0.000 0.971 367 D CA 0.978 55.076 54.000 0.165 0.000 0.867 367 D CB -0.494 40.396 40.800 0.149 0.000 0.929 367 D HN 0.476 nan 8.370 nan 0.000 0.492 368 G N 0.096 109.049 108.800 0.254 0.000 2.159 368 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 368 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 368 G C 0.901 176.015 174.900 0.356 0.000 0.977 368 G CA 0.339 45.613 45.100 0.290 0.000 0.652 368 G HN 0.295 nan 8.290 nan 0.000 0.531 369 N N 0.321 119.193 118.700 0.288 0.000 2.412 369 N HA 0.195 4.935 4.740 -0.000 0.000 0.184 369 N C 0.954 176.577 175.510 0.189 0.000 1.101 369 N CA 1.162 54.348 53.050 0.227 0.000 0.881 369 N CB 0.388 38.964 38.487 0.148 0.000 0.969 369 N HN 0.878 nan 8.380 nan 0.000 0.459 370 S N -0.631 115.201 115.700 0.220 0.000 2.656 370 S HA 0.778 5.248 4.470 -0.000 0.000 0.273 370 S C -0.939 173.666 174.600 0.008 0.000 1.168 370 S CA -1.011 57.155 58.200 -0.057 0.000 0.817 370 S CB 1.830 64.916 63.200 -0.189 0.000 1.146 370 S HN 0.122 nan 8.310 nan 0.000 0.475 371 F N -2.190 117.508 119.950 -0.420 0.000 2.741 371 F HA 0.843 5.370 4.527 -0.000 0.000 0.313 371 F C -2.210 173.384 175.800 -0.343 0.000 1.153 371 F CA -1.507 56.206 58.000 -0.478 0.000 0.931 371 F CB 0.659 38.950 39.000 -1.180 0.000 1.335 371 F HN 0.606 nan 8.300 nan 0.000 0.460 372 Y N 0.878 121.292 120.300 0.191 0.000 2.462 372 Y HA 0.694 5.244 4.550 -0.000 0.000 0.346 372 Y C -0.444 175.587 175.900 0.218 0.000 0.976 372 Y CA -0.989 57.220 58.100 0.181 0.000 1.044 372 Y CB 2.406 40.942 38.460 0.126 0.000 1.230 372 Y HN 0.785 nan 8.280 nan 0.000 0.455 373 K N 3.003 123.607 120.400 0.339 0.000 2.572 373 K HA 0.490 4.810 4.320 -0.000 0.000 0.263 373 K C -1.900 174.825 176.600 0.208 0.000 0.932 373 K CA -0.552 55.888 56.287 0.255 0.000 0.838 373 K CB 1.697 34.293 32.500 0.161 0.000 1.366 373 K HN 0.761 nan 8.250 nan 0.000 0.425 374 I N 4.636 125.305 120.570 0.165 0.000 2.496 374 I HA 0.219 4.389 4.170 -0.000 0.000 0.285 374 I C -0.068 176.144 176.117 0.158 0.000 1.080 374 I CA -0.336 61.051 61.300 0.145 0.000 1.404 374 I CB 0.562 38.638 38.000 0.127 0.000 1.403 374 I HN 0.401 nan 8.210 nan 0.000 0.539 375 I N 4.714 125.402 120.570 0.197 0.000 2.722 375 I HA 0.124 4.294 4.170 -0.000 0.000 0.295 375 I C -0.077 176.209 176.117 0.281 0.000 1.161 375 I CA -0.446 60.986 61.300 0.221 0.000 1.032 375 I CB 2.127 40.243 38.000 0.192 0.000 1.244 375 I HN 0.403 nan 8.210 nan 0.000 0.421 376 S N 5.488 121.287 115.700 0.166 0.000 2.510 376 S HA 0.174 4.644 4.470 -0.000 0.000 0.279 376 S C 0.370 175.049 174.600 0.132 0.000 1.284 376 S CA -0.356 57.892 58.200 0.080 0.000 1.059 376 S CB -0.103 63.085 63.200 -0.019 0.000 0.901 376 S HN 0.779 nan 8.310 nan 0.000 0.491 377 N N 3.262 121.944 118.700 -0.029 0.000 2.328 377 N HA 0.178 4.918 4.740 -0.000 0.000 0.277 377 N C 0.732 176.139 175.510 -0.172 0.000 1.286 377 N CA -0.727 52.136 53.050 -0.311 0.000 0.949 377 N CB 0.390 38.311 38.487 -0.944 0.000 1.136 377 N HN 0.635 nan 8.380 nan 0.000 0.550 378 E N -0.112 119.962 120.200 -0.209 0.000 2.110 378 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 378 E C 1.112 177.652 176.600 -0.099 0.000 0.988 378 E CA 1.271 57.603 56.400 -0.113 0.000 0.804 378 E CB -0.103 29.536 29.700 -0.102 0.000 0.745 378 E HN 0.592 nan 8.360 nan 0.000 0.458 379 E N -0.459 119.683 120.200 -0.095 0.000 2.478 379 E HA 0.006 4.356 4.350 -0.000 0.000 0.198 379 E C 1.019 177.557 176.600 -0.104 0.000 1.046 379 E CA 0.726 57.113 56.400 -0.022 0.000 0.870 379 E CB 0.221 29.975 29.700 0.090 0.000 0.818 379 E HN 0.419 nan 8.360 nan 0.000 0.527 380 G N -0.581 108.109 108.800 -0.183 0.000 2.144 380 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.218 380 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.218 380 G C -0.430 174.149 174.900 -0.536 0.000 0.988 380 G CA -0.318 44.569 45.100 -0.354 0.000 0.659 380 G HN 0.247 nan 8.290 nan 0.000 0.522 381 Y N 1.447 121.648 120.300 -0.165 0.000 2.328 381 Y HA 0.558 5.108 4.550 -0.000 0.000 0.337 381 Y C 1.262 177.053 175.900 -0.182 0.000 1.008 381 Y CA -0.964 57.026 58.100 -0.184 0.000 1.129 381 Y CB 0.894 39.251 38.460 -0.172 0.000 1.185 381 Y HN 0.085 nan 8.280 nan 0.000 0.476 382 R N 3.793 124.226 120.500 -0.112 0.000 2.351 382 R HA 0.252 4.592 4.340 -0.000 0.000 0.318 382 R C -1.064 175.068 176.300 -0.280 0.000 1.055 382 R CA 0.012 56.059 56.100 -0.088 0.000 0.968 382 R CB -0.016 30.264 30.300 -0.034 0.000 0.974 382 R HN 0.789 nan 8.270 nan 0.000 0.439 383 H N 0.483 119.596 119.070 0.072 0.000 2.977 383 H HA 0.414 4.970 4.556 -0.000 0.000 0.350 383 H C -0.399 175.016 175.328 0.145 0.000 1.238 383 H CA -0.837 55.231 56.048 0.035 0.000 1.124 383 H CB 1.737 31.460 29.762 -0.066 0.000 1.866 383 H HN 0.372 nan 8.280 nan 0.000 0.550 384 I N 1.213 121.890 120.570 0.179 0.000 2.371 384 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 384 I C -0.332 175.776 176.117 -0.016 0.000 1.028 384 I CA -0.067 61.267 61.300 0.057 0.000 1.345 384 I CB 0.555 38.514 38.000 -0.069 0.000 1.407 384 I HN 0.271 nan 8.210 nan 0.000 0.501 385 c N 6.913 125.442 118.600 -0.119 0.000 2.351 385 c HA 0.393 4.963 4.570 -0.000 0.000 0.326 385 c C -0.333 173.639 174.090 -0.196 0.000 1.272 385 c CA -0.500 55.559 56.329 -0.451 0.000 1.650 385 c CB 0.686 42.742 42.510 -0.756 0.000 2.257 385 c HN 0.639 nan 8.230 nan 0.000 0.505 386 Y N 5.027 125.028 120.300 -0.498 0.000 2.350 386 Y HA 0.640 5.190 4.550 -0.000 0.000 0.340 386 Y C -1.052 174.425 175.900 -0.704 0.000 1.006 386 Y CA -0.702 57.042 58.100 -0.593 0.000 1.166 386 Y CB 0.162 38.307 38.460 -0.526 0.000 1.168 386 Y HN 0.593 nan 8.280 nan 0.000 0.502 387 F N 3.849 123.023 119.950 -1.293 0.000 2.508 387 F HA 0.490 5.017 4.527 -0.000 0.000 0.325 387 F C -0.125 174.813 175.800 -1.437 0.000 1.090 387 F CA -0.900 56.311 58.000 -1.316 0.000 0.945 387 F CB 1.796 39.744 39.000 -1.753 0.000 1.156 387 F HN 0.390 nan 8.300 nan 0.000 0.463 388 Q N 2.032 121.388 119.800 -0.740 0.000 2.230 388 Q HA 0.415 4.755 4.340 -0.000 0.000 0.253 388 Q C 0.981 176.903 176.000 -0.131 0.000 0.919 388 Q CA -0.450 55.082 55.803 -0.451 0.000 0.908 388 Q CB 2.349 30.899 28.738 -0.313 0.000 1.245 388 Q HN 0.740 nan 8.270 nan 0.000 0.437 389 I N 1.449 122.033 120.570 0.022 0.000 2.202 389 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 389 I C 1.128 177.391 176.117 0.243 0.000 1.091 389 I CA 1.276 62.741 61.300 0.275 0.000 1.368 389 I CB 0.188 38.369 38.000 0.301 0.000 1.058 389 I HN 0.759 nan 8.210 nan 0.000 0.410 390 D N 0.379 120.844 120.400 0.108 0.000 2.162 390 D HA -0.055 4.585 4.640 -0.000 0.000 0.203 390 D C 0.962 177.269 176.300 0.012 0.000 0.967 390 D CA 0.734 54.766 54.000 0.052 0.000 0.840 390 D CB 0.132 40.952 40.800 0.034 0.000 0.972 390 D HN 0.125 nan 8.370 nan 0.000 0.482 391 K N 1.146 121.548 120.400 0.002 0.000 2.156 391 K HA 0.058 4.378 4.320 -0.000 0.000 0.242 391 K C 1.284 177.877 176.600 -0.012 0.000 1.033 391 K CA 0.280 56.550 56.287 -0.029 0.000 0.878 391 K CB 0.597 33.055 32.500 -0.070 0.000 1.057 391 K HN 0.028 nan 8.250 nan 0.000 0.505 392 K N -0.378 119.995 120.400 -0.044 0.000 2.424 392 K HA 0.187 4.507 4.320 -0.000 0.000 0.200 392 K C 0.249 176.834 176.600 -0.026 0.000 1.279 392 K CA -0.083 56.174 56.287 -0.050 0.000 0.918 392 K CB 0.239 32.693 32.500 -0.076 0.000 1.287 392 K HN 0.319 nan 8.250 nan 0.000 0.502 393 D N 0.771 121.114 120.400 -0.094 0.000 2.411 393 D HA 0.233 4.873 4.640 -0.000 0.000 0.251 393 D C -0.114 175.985 176.300 -0.335 0.000 1.201 393 D CA -0.270 53.635 54.000 -0.159 0.000 0.996 393 D CB 1.481 42.204 40.800 -0.128 0.000 1.101 393 D HN 0.334 nan 8.370 nan 0.000 0.504 394 c N -1.623 116.664 118.600 -0.521 0.000 2.913 394 c HA 0.797 5.367 4.570 -0.000 0.000 0.322 394 c C -0.164 173.581 174.090 -0.575 0.000 1.292 394 c CA -0.637 55.199 56.329 -0.821 0.000 1.649 394 c CB 1.193 42.641 42.510 -1.770 0.000 2.139 394 c HN 0.452 nan 8.230 nan 0.000 0.475 395 T N 1.710 115.947 114.554 -0.528 0.000 2.794 395 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 395 T C -0.797 173.675 174.700 -0.380 0.000 0.987 395 T CA 0.183 62.108 62.100 -0.292 0.000 0.993 395 T CB 0.424 69.248 68.868 -0.074 0.000 0.939 395 T HN 0.474 nan 8.240 nan 0.000 0.449 396 F N 2.457 122.291 119.950 -0.192 0.000 2.427 396 F HA 0.338 4.865 4.527 -0.000 0.000 0.352 396 F C 1.074 176.718 175.800 -0.260 0.000 1.100 396 F CA -0.717 57.158 58.000 -0.208 0.000 1.191 396 F CB 0.733 39.614 39.000 -0.198 0.000 1.128 396 F HN 0.459 nan 8.300 nan 0.000 0.533 397 I N 1.157 121.646 120.570 -0.136 0.000 4.070 397 I HA 0.046 4.216 4.170 -0.000 0.000 0.328 397 I C 0.581 176.599 176.117 -0.165 0.000 1.298 397 I CA 0.507 61.579 61.300 -0.381 0.000 1.173 397 I CB 0.074 37.739 38.000 -0.558 0.000 1.051 397 I HN 0.611 nan 8.210 nan 0.000 0.409 398 T N -1.149 113.340 114.554 -0.108 0.000 2.896 398 T HA 0.765 5.115 4.350 -0.000 0.000 0.297 398 T C -0.673 173.644 174.700 -0.639 0.000 1.108 398 T CA -0.873 61.122 62.100 -0.176 0.000 1.004 398 T CB 2.639 71.516 68.868 0.014 0.000 1.159 398 T HN 0.121 nan 8.240 nan 0.000 0.499 399 K N -0.159 119.698 120.400 -0.905 0.000 2.548 399 K HA 0.870 5.190 4.320 -0.000 0.000 0.282 399 K C -0.205 175.769 176.600 -1.043 0.000 1.006 399 K CA -0.949 54.653 56.287 -1.141 0.000 0.892 399 K CB 1.467 33.645 32.500 -0.537 0.000 1.499 399 K HN 1.567 nan 8.250 nan 0.000 0.433 400 G N -0.397 107.901 108.800 -0.836 0.000 2.408 400 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.682 400 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.682 400 G C -0.687 173.672 174.900 -0.903 0.000 1.303 400 G CA -0.470 44.224 45.100 -0.677 0.000 0.966 400 G HN 0.503 nan 8.290 nan 0.000 0.560 401 T N 2.181 116.343 114.554 -0.653 0.000 3.327 401 T HA 0.446 4.796 4.350 -0.000 0.000 0.241 401 T C -0.052 174.436 174.700 -0.353 0.000 0.907 401 T CA 0.837 62.470 62.100 -0.778 0.000 0.931 401 T CB -0.992 67.664 68.868 -0.352 0.000 1.112 401 T HN 0.638 nan 8.240 nan 0.000 0.589 402 W N -0.256 120.853 121.300 -0.318 0.000 2.988 402 W HA 0.657 5.317 4.660 -0.000 0.000 0.355 402 W C -1.048 175.419 176.519 -0.086 0.000 1.233 402 W CA -1.045 56.246 57.345 -0.091 0.000 1.176 402 W CB 0.825 30.255 29.460 -0.050 0.000 1.477 402 W HN -0.090 nan 8.180 nan 0.000 0.582 403 E N 0.664 121.043 120.200 0.299 0.000 2.299 403 E HA 0.497 4.847 4.350 -0.000 0.000 0.265 403 E C -1.115 175.630 176.600 0.241 0.000 0.911 403 E CA -1.162 55.250 56.400 0.019 0.000 0.789 403 E CB 3.302 33.065 29.700 0.105 0.000 1.246 403 E HN 0.138 nan 8.360 nan 0.000 0.427 404 V N 2.487 122.426 119.914 0.040 0.000 2.509 404 V HA 0.123 4.243 4.120 -0.000 0.000 0.284 404 V C 0.776 176.979 176.094 0.182 0.000 1.047 404 V CA 0.184 62.594 62.300 0.183 0.000 0.952 404 V CB 1.122 32.954 31.823 0.016 0.000 0.988 404 V HN 0.657 nan 8.190 nan 0.000 0.469 405 I N 2.545 123.239 120.570 0.206 0.000 3.081 405 I HA 0.400 4.570 4.170 -0.000 0.000 0.274 405 I C 1.071 177.297 176.117 0.182 0.000 1.178 405 I CA 0.897 62.301 61.300 0.173 0.000 1.460 405 I CB 0.353 38.377 38.000 0.039 0.000 1.137 405 I HN 0.759 nan 8.210 nan 0.000 0.443 406 G N 0.382 109.292 108.800 0.184 0.000 2.667 406 G HA2 0.572 4.532 3.960 -0.000 0.000 0.294 406 G HA3 0.572 4.532 3.960 -0.000 0.000 0.294 406 G C -1.442 173.545 174.900 0.144 0.000 1.467 406 G CA -0.493 44.706 45.100 0.165 0.000 0.852 406 G HN -0.106 nan 8.290 nan 0.000 0.521 407 I N 1.408 121.986 120.570 0.013 0.000 2.354 407 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 407 I C 0.400 176.464 176.117 -0.088 0.000 0.989 407 I CA -0.699 60.518 61.300 -0.138 0.000 1.188 407 I CB 2.035 39.703 38.000 -0.553 0.000 1.342 407 I HN 0.534 nan 8.210 nan 0.000 0.457 408 E N 4.468 124.692 120.200 0.040 0.000 2.306 408 E HA 0.354 4.704 4.350 -0.000 0.000 0.201 408 E C 0.132 176.761 176.600 0.049 0.000 0.874 408 E CA 0.292 56.782 56.400 0.150 0.000 0.972 408 E CB 0.918 30.790 29.700 0.286 0.000 0.957 408 E HN 0.652 nan 8.360 nan 0.000 0.492 409 A N 0.657 123.367 122.820 -0.184 0.000 2.609 409 A HA 0.694 5.014 4.320 -0.000 0.000 0.291 409 A C -1.899 175.626 177.584 -0.099 0.000 1.096 409 A CA -0.613 51.247 52.037 -0.296 0.000 0.684 409 A CB 1.514 19.888 19.000 -1.043 0.000 1.282 409 A HN 0.057 nan 8.150 nan 0.000 0.412 410 L N 1.105 122.317 121.223 -0.018 0.000 2.528 410 L HA 0.677 5.016 4.340 -0.000 0.000 0.267 410 L C 0.097 177.015 176.870 0.079 0.000 0.961 410 L CA 0.438 55.297 54.840 0.033 0.000 0.866 410 L CB 1.862 43.956 42.059 0.058 0.000 1.248 410 L HN 1.190 nan 8.230 nan 0.000 0.404 411 T N -0.038 114.581 114.554 0.108 0.000 2.876 411 T HA 0.425 4.775 4.350 -0.000 0.000 0.277 411 T C 1.152 175.890 174.700 0.064 0.000 0.997 411 T CA 0.139 62.305 62.100 0.110 0.000 0.966 411 T CB 1.016 69.987 68.868 0.170 0.000 1.312 411 T HN 0.686 nan 8.240 nan 0.000 0.598 412 S N -0.277 115.450 115.700 0.045 0.000 2.447 412 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 412 S C 1.070 175.609 174.600 -0.102 0.000 1.006 412 S CA 0.814 59.018 58.200 0.006 0.000 0.957 412 S CB -0.491 62.717 63.200 0.015 0.000 0.773 412 S HN 0.723 nan 8.310 nan 0.000 0.507 413 D N -0.370 119.906 120.400 -0.207 0.000 2.338 413 D HA 0.192 4.832 4.640 -0.000 0.000 0.208 413 D C -0.602 175.243 176.300 -0.758 0.000 0.997 413 D CA 0.726 54.370 54.000 -0.593 0.000 0.880 413 D CB 0.212 40.435 40.800 -0.961 0.000 0.980 413 D HN 0.426 nan 8.370 nan 0.000 0.509 414 Y N -0.107 120.127 120.300 -0.109 0.000 2.470 414 Y HA 0.435 4.985 4.550 -0.000 0.000 0.341 414 Y C -0.626 175.088 175.900 -0.310 0.000 1.021 414 Y CA -0.829 57.110 58.100 -0.269 0.000 1.025 414 Y CB 2.084 40.301 38.460 -0.405 0.000 1.266 414 Y HN -0.275 nan 8.280 nan 0.000 0.448 415 L N 3.931 125.030 121.223 -0.207 0.000 2.305 415 L HA 0.593 4.933 4.340 -0.000 0.000 0.284 415 L C -1.645 175.083 176.870 -0.237 0.000 1.013 415 L CA -0.699 54.009 54.840 -0.220 0.000 0.819 415 L CB 0.735 42.602 42.059 -0.321 0.000 1.227 415 L HN 0.623 nan 8.230 nan 0.000 0.417 416 Y N 4.992 125.210 120.300 -0.137 0.000 2.320 416 Y HA 0.465 5.015 4.550 -0.000 0.000 0.334 416 Y C -0.256 175.668 175.900 0.040 0.000 1.055 416 Y CA -0.253 57.766 58.100 -0.135 0.000 1.143 416 Y CB 0.958 39.171 38.460 -0.411 0.000 1.193 416 Y HN 0.515 nan 8.280 nan 0.000 0.477 417 Y N 0.007 120.364 120.300 0.096 0.000 2.644 417 Y HA 0.848 5.398 4.550 -0.000 0.000 0.338 417 Y C -1.786 174.201 175.900 0.145 0.000 1.119 417 Y CA -2.093 56.064 58.100 0.096 0.000 1.060 417 Y CB 1.113 39.612 38.460 0.065 0.000 1.294 417 Y HN 0.385 nan 8.280 nan 0.000 0.472 418 I N 2.585 123.337 120.570 0.304 0.000 2.441 418 I HA 0.646 4.816 4.170 -0.000 0.000 0.295 418 I C -0.523 175.791 176.117 0.328 0.000 0.994 418 I CA -0.248 61.164 61.300 0.187 0.000 1.144 418 I CB 2.028 40.071 38.000 0.072 0.000 1.314 418 I HN 0.862 nan 8.210 nan 0.000 0.445 419 S N 2.954 118.820 115.700 0.277 0.000 2.685 419 S HA 0.403 4.873 4.470 -0.000 0.000 0.282 419 S C -0.373 174.291 174.600 0.107 0.000 1.159 419 S CA -1.019 57.320 58.200 0.233 0.000 0.833 419 S CB 1.398 64.718 63.200 0.200 0.000 1.151 419 S HN 0.726 nan 8.310 nan 0.000 0.485 420 N N -0.699 118.057 118.700 0.095 0.000 2.378 420 N HA 0.118 4.858 4.740 -0.000 0.000 0.243 420 N C 0.773 176.283 175.510 -0.001 0.000 1.137 420 N CA -0.332 52.739 53.050 0.036 0.000 0.862 420 N CB 0.305 38.804 38.487 0.019 0.000 1.116 420 N HN 0.761 nan 8.380 nan 0.000 0.499 421 E N 0.755 120.830 120.200 -0.209 0.000 2.031 421 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 421 E C -0.165 176.354 176.600 -0.135 0.000 0.994 421 E CA 0.596 56.679 56.400 -0.527 0.000 0.800 421 E CB -0.057 28.868 29.700 -1.293 0.000 0.752 421 E HN 0.413 nan 8.360 nan 0.000 0.447 422 Y N 2.008 122.250 120.300 -0.097 0.000 2.944 422 Y HA -0.202 4.348 4.550 -0.000 0.000 0.340 422 Y C 0.544 176.424 175.900 -0.034 0.000 1.275 422 Y CA 0.898 58.973 58.100 -0.042 0.000 1.590 422 Y CB 0.080 38.524 38.460 -0.026 0.000 1.218 422 Y HN 0.118 nan 8.280 nan 0.000 0.576 423 K N 3.376 123.416 120.400 -0.600 0.000 3.013 423 K HA -0.291 4.029 4.320 -0.000 0.000 0.275 423 K C 0.950 177.468 176.600 -0.137 0.000 1.086 423 K CA 0.928 56.954 56.287 -0.436 0.000 0.814 423 K CB -1.716 30.450 32.500 -0.556 0.000 1.212 423 K HN 1.283 nan 8.250 nan 0.000 0.468 424 G N 0.483 109.237 108.800 -0.077 0.000 2.153 424 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 424 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 424 G C 0.034 174.942 174.900 0.013 0.000 0.994 424 G CA 0.742 45.853 45.100 0.019 0.000 0.698 424 G HN 0.361 nan 8.290 nan 0.000 0.521 425 M N -0.209 119.323 119.600 -0.113 0.000 2.063 425 M HA 0.338 4.818 4.480 -0.000 0.000 0.348 425 M C -1.733 174.334 176.300 -0.389 0.000 1.180 425 M CA -1.999 53.063 55.300 -0.397 0.000 1.059 425 M CB 1.538 33.946 32.600 -0.320 0.000 1.544 425 M HN -0.161 nan 8.290 nan 0.000 0.447 426 P HA -0.015 nan 4.420 nan 0.000 0.226 426 P C 1.374 178.539 177.300 -0.226 0.000 1.153 426 P CA 0.858 63.803 63.100 -0.257 0.000 0.777 426 P CB 0.116 31.677 31.700 -0.232 0.000 0.794 427 G N -0.676 107.905 108.800 -0.365 0.000 2.848 427 G HA2 0.148 4.108 3.960 -0.000 0.000 0.208 427 G HA3 0.148 4.108 3.960 -0.000 0.000 0.208 427 G C 0.722 175.632 174.900 0.018 0.000 1.152 427 G CA 0.184 45.196 45.100 -0.147 0.000 0.789 427 G HN 0.407 nan 8.290 nan 0.000 0.531 428 G N -0.405 108.361 108.800 -0.057 0.000 2.454 428 G HA2 0.645 4.605 3.960 -0.000 0.000 0.329 428 G HA3 0.645 4.605 3.960 -0.000 0.000 0.329 428 G C -0.938 173.884 174.900 -0.131 0.000 1.177 428 G CA -0.747 44.351 45.100 -0.004 0.000 0.951 428 G HN 0.058 nan 8.290 nan 0.000 0.485 429 R N 1.082 121.453 120.500 -0.216 0.000 2.564 429 R HA 0.517 4.857 4.340 -0.000 0.000 0.284 429 R C -1.162 175.062 176.300 -0.126 0.000 1.031 429 R CA -0.867 55.038 56.100 -0.326 0.000 0.904 429 R CB 2.040 31.832 30.300 -0.847 0.000 1.199 429 R HN 0.637 nan 8.270 nan 0.000 0.443 430 N N 1.216 119.848 118.700 -0.113 0.000 2.591 430 N HA 0.339 5.079 4.740 -0.000 0.000 0.263 430 N C -1.560 173.711 175.510 -0.397 0.000 1.308 430 N CA -0.735 52.154 53.050 -0.269 0.000 0.837 430 N CB 2.714 40.951 38.487 -0.417 0.000 1.548 430 N HN 0.281 nan 8.380 nan 0.000 0.493 431 L N 1.487 122.326 121.223 -0.641 0.000 2.309 431 L HA 0.586 4.926 4.340 -0.000 0.000 0.282 431 L C -1.525 174.862 176.870 -0.806 0.000 1.036 431 L CA -0.149 54.364 54.840 -0.544 0.000 0.806 431 L CB 0.533 42.319 42.059 -0.455 0.000 1.220 431 L HN 0.469 nan 8.230 nan 0.000 0.429 432 Y N 3.160 123.105 120.300 -0.591 0.000 2.545 432 Y HA 0.554 5.104 4.550 -0.000 0.000 0.348 432 Y C -0.464 175.111 175.900 -0.541 0.000 1.002 432 Y CA -0.826 56.860 58.100 -0.691 0.000 1.039 432 Y CB 1.927 39.682 38.460 -1.174 0.000 1.271 432 Y HN 0.436 nan 8.280 nan 0.000 0.467 433 K N 3.137 123.400 120.400 -0.229 0.000 2.502 433 K HA 0.559 4.879 4.320 -0.000 0.000 0.254 433 K C -1.745 174.784 176.600 -0.117 0.000 0.947 433 K CA -0.356 55.728 56.287 -0.339 0.000 0.834 433 K CB 0.892 33.154 32.500 -0.395 0.000 1.112 433 K HN 0.686 nan 8.250 nan 0.000 0.427 434 I N 3.479 124.015 120.570 -0.056 0.000 2.353 434 I HA 0.157 4.327 4.170 -0.000 0.000 0.293 434 I C 0.390 176.540 176.117 0.055 0.000 0.992 434 I CA -0.616 60.725 61.300 0.069 0.000 1.268 434 I CB 1.682 39.760 38.000 0.129 0.000 1.387 434 I HN 0.386 nan 8.210 nan 0.000 0.478 435 Q N 5.465 125.306 119.800 0.069 0.000 2.288 435 Q HA 0.240 4.580 4.340 -0.000 0.000 0.258 435 Q C 0.593 176.559 176.000 -0.057 0.000 0.957 435 Q CA -0.159 55.633 55.803 -0.018 0.000 0.919 435 Q CB 1.445 30.174 28.738 -0.015 0.000 1.185 435 Q HN 0.668 nan 8.270 nan 0.000 0.408 436 L N 1.419 122.559 121.223 -0.138 0.000 2.492 436 L HA -0.088 4.252 4.340 -0.000 0.000 0.223 436 L C 2.042 178.773 176.870 -0.231 0.000 1.132 436 L CA 0.517 55.311 54.840 -0.076 0.000 0.850 436 L CB -0.086 41.939 42.059 -0.057 0.000 0.966 436 L HN 0.601 nan 8.230 nan 0.000 0.454 437 S N -2.048 113.512 115.700 -0.233 0.000 2.522 437 S HA -0.042 4.428 4.470 -0.000 0.000 0.227 437 S C 0.467 174.883 174.600 -0.306 0.000 0.986 437 S CA 0.149 58.201 58.200 -0.246 0.000 0.929 437 S CB -0.013 63.083 63.200 -0.173 0.000 0.769 437 S HN 0.407 nan 8.310 nan 0.000 0.529 438 D N -0.434 119.773 120.400 -0.321 0.000 2.300 438 D HA 0.156 4.796 4.640 -0.000 0.000 0.218 438 D C -0.619 175.585 176.300 -0.160 0.000 1.326 438 D CA -0.579 53.247 54.000 -0.291 0.000 0.942 438 D CB -0.053 40.657 40.800 -0.151 0.000 1.495 438 D HN -0.015 nan 8.370 nan 0.000 0.545 439 Y N 1.265 121.547 120.300 -0.030 0.000 2.639 439 Y HA -0.031 4.518 4.550 -0.000 0.000 0.297 439 Y C 2.482 178.389 175.900 0.010 0.000 1.151 439 Y CA 1.351 59.443 58.100 -0.013 0.000 1.335 439 Y CB -0.532 37.920 38.460 -0.012 0.000 0.994 439 Y HN 0.460 nan 8.280 nan 0.000 0.548 440 T N -2.821 111.805 114.554 0.118 0.000 3.081 440 T HA 0.035 4.385 4.350 -0.000 0.000 0.255 440 T C 0.652 175.394 174.700 0.070 0.000 1.113 440 T CA -0.090 62.062 62.100 0.087 0.000 1.082 440 T CB -0.211 68.686 68.868 0.049 0.000 0.939 440 T HN 0.135 nan 8.240 nan 0.000 0.506 441 K N 2.341 122.776 120.400 0.057 0.000 2.150 441 K HA 0.488 4.808 4.320 -0.000 0.000 0.261 441 K C -1.123 175.517 176.600 0.067 0.000 1.127 441 K CA -0.363 55.951 56.287 0.045 0.000 0.989 441 K CB 0.848 33.361 32.500 0.021 0.000 1.475 441 K HN 0.138 nan 8.250 nan 0.000 0.391 442 V N 1.565 121.525 119.914 0.076 0.000 2.483 442 V HA 0.299 4.419 4.120 -0.000 0.000 0.295 442 V C 0.186 176.314 176.094 0.056 0.000 1.035 442 V CA -0.728 61.624 62.300 0.086 0.000 0.896 442 V CB 1.855 33.752 31.823 0.123 0.000 0.986 442 V HN 0.526 nan 8.190 nan 0.000 0.447 443 T N 3.301 117.868 114.554 0.023 0.000 2.841 443 T HA 0.333 4.683 4.350 -0.000 0.000 0.283 443 T C -0.682 173.975 174.700 -0.073 0.000 1.000 443 T CA -0.264 61.822 62.100 -0.023 0.000 0.977 443 T CB 1.072 69.908 68.868 -0.053 0.000 0.979 443 T HN 0.871 nan 8.240 nan 0.000 0.446 444 C N 6.425 125.638 119.300 -0.146 0.000 2.347 444 C HA 0.501 4.961 4.460 -0.000 0.000 0.353 444 C C 1.648 176.362 174.990 -0.460 0.000 1.273 444 C CA -0.629 58.107 59.018 -0.469 0.000 1.861 444 C CB -1.525 25.863 27.740 -0.586 0.000 2.420 444 C HN 0.976 nan 8.230 nan 0.000 0.542 445 L N 4.524 125.423 121.223 -0.541 0.000 2.375 445 L HA 0.081 4.421 4.340 -0.000 0.000 0.215 445 L C 2.173 178.729 176.870 -0.523 0.000 1.108 445 L CA 0.985 55.572 54.840 -0.422 0.000 0.830 445 L CB -0.325 41.518 42.059 -0.360 0.000 0.959 445 L HN 0.890 nan 8.230 nan 0.000 0.457 446 S N -2.794 112.465 115.700 -0.736 0.000 2.575 446 S HA -0.032 4.438 4.470 -0.000 0.000 0.230 446 S C 1.932 176.106 174.600 -0.710 0.000 1.062 446 S CA -0.001 57.617 58.200 -0.970 0.000 0.913 446 S CB -0.331 61.882 63.200 -1.646 0.000 0.837 446 S HN 0.291 nan 8.310 nan 0.000 0.487 447 C N 2.697 121.564 119.300 -0.721 0.000 2.369 447 C HA -0.085 4.375 4.460 -0.000 0.000 0.273 447 C C 1.960 176.632 174.990 -0.531 0.000 1.172 447 C CA 1.342 59.846 59.018 -0.857 0.000 1.791 447 C CB -0.869 26.242 27.740 -1.048 0.000 2.086 447 C HN 0.634 nan 8.230 nan 0.000 0.459 448 E N -0.360 119.644 120.200 -0.328 0.000 2.734 448 E HA 0.220 4.570 4.350 -0.000 0.000 0.211 448 E C 1.438 177.989 176.600 -0.082 0.000 0.991 448 E CA -0.084 56.228 56.400 -0.147 0.000 1.065 448 E CB -0.045 29.593 29.700 -0.104 0.000 1.047 448 E HN 0.626 nan 8.360 nan 0.000 0.470 449 L N 0.361 121.534 121.223 -0.082 0.000 2.044 449 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 449 L C 0.783 177.670 176.870 0.027 0.000 1.075 449 L CA 0.976 55.808 54.840 -0.014 0.000 0.747 449 L CB -0.042 42.024 42.059 0.012 0.000 0.903 449 L HN 0.007 nan 8.230 nan 0.000 0.435 450 N N -0.814 117.920 118.700 0.058 0.000 2.716 450 N HA 0.154 4.894 4.740 -0.000 0.000 0.245 450 N C -2.159 173.376 175.510 0.042 0.000 1.495 450 N CA -0.600 52.473 53.050 0.038 0.000 0.759 450 N CB 1.504 40.007 38.487 0.026 0.000 1.261 450 N HN -0.036 nan 8.380 nan 0.000 0.515 451 P HA 0.027 nan 4.420 nan 0.000 0.225 451 P C 0.751 178.100 177.300 0.083 0.000 1.156 451 P CA 1.037 64.185 63.100 0.081 0.000 0.787 451 P CB 0.786 32.546 31.700 0.101 0.000 0.802 452 E N -0.579 119.649 120.200 0.046 0.000 2.190 452 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 452 E C 2.284 178.888 176.600 0.007 0.000 0.978 452 E CA 0.435 56.853 56.400 0.031 0.000 0.839 452 E CB -0.210 29.500 29.700 0.017 0.000 0.787 452 E HN 0.077 nan 8.360 nan 0.000 0.473 453 R N -0.436 120.056 120.500 -0.012 0.000 2.100 453 R HA 0.113 4.453 4.340 -0.000 0.000 0.220 453 R C -0.238 176.015 176.300 -0.079 0.000 1.091 453 R CA 0.717 56.785 56.100 -0.052 0.000 0.986 453 R CB 0.293 30.553 30.300 -0.067 0.000 0.888 453 R HN 0.121 nan 8.270 nan 0.000 0.444 454 c N 0.814 119.377 118.600 -0.062 0.000 2.321 454 c HA 0.415 4.985 4.570 -0.000 0.000 0.323 454 c C -0.010 174.051 174.090 -0.049 0.000 1.191 454 c CA -0.661 55.569 56.329 -0.165 0.000 1.455 454 c CB 1.307 43.673 42.510 -0.239 0.000 2.083 454 c HN 0.530 nan 8.230 nan 0.000 0.442 455 Q N 0.439 120.209 119.800 -0.049 0.000 2.073 455 Q HA 0.198 4.538 4.340 -0.000 0.000 0.215 455 Q C -0.971 175.101 176.000 0.121 0.000 0.776 455 Q CA 0.086 55.946 55.803 0.095 0.000 1.008 455 Q CB 1.273 30.084 28.738 0.122 0.000 1.196 455 Q HN 0.807 nan 8.270 nan 0.000 0.458 456 Y N 0.422 120.623 120.300 -0.165 0.000 2.445 456 Y HA 0.362 4.912 4.550 -0.000 0.000 0.332 456 Y C -1.552 174.207 175.900 -0.233 0.000 1.037 456 Y CA -0.944 57.083 58.100 -0.122 0.000 1.296 456 Y CB 0.699 39.094 38.460 -0.108 0.000 1.099 456 Y HN -0.067 nan 8.280 nan 0.000 0.496 457 Y N 2.219 122.431 120.300 -0.148 0.000 2.496 457 Y HA 0.666 5.216 4.550 -0.000 0.000 0.331 457 Y C 0.439 176.252 175.900 -0.144 0.000 1.140 457 Y CA -0.380 57.640 58.100 -0.134 0.000 1.166 457 Y CB 2.060 40.408 38.460 -0.187 0.000 1.249 457 Y HN 0.527 nan 8.280 nan 0.000 0.479 458 S N 0.435 116.186 115.700 0.086 0.000 2.704 458 S HA 0.875 5.345 4.470 -0.000 0.000 0.296 458 S C -1.401 173.237 174.600 0.064 0.000 1.138 458 S CA -0.802 57.436 58.200 0.063 0.000 0.875 458 S CB 1.884 65.135 63.200 0.086 0.000 1.151 458 S HN 0.608 nan 8.310 nan 0.000 0.500 459 V N -0.346 119.604 119.914 0.060 0.000 3.188 459 V HA 0.871 4.991 4.120 -0.000 0.000 0.305 459 V C -1.497 174.641 176.094 0.074 0.000 1.232 459 V CA -0.263 62.036 62.300 -0.001 0.000 1.043 459 V CB 2.301 34.020 31.823 -0.173 0.000 1.068 459 V HN 1.161 nan 8.190 nan 0.000 0.439 460 S N 3.329 119.058 115.700 0.049 0.000 2.423 460 S HA 0.559 5.029 4.470 -0.000 0.000 0.213 460 S C -1.273 173.529 174.600 0.338 0.000 1.131 460 S CA -0.365 57.999 58.200 0.273 0.000 1.155 460 S CB 0.108 63.494 63.200 0.310 0.000 1.202 460 S HN 0.505 nan 8.310 nan 0.000 0.441 461 F N 3.279 123.326 119.950 0.162 0.000 2.399 461 F HA 0.377 4.904 4.527 -0.000 0.000 0.342 461 F C 1.512 176.893 175.800 -0.698 0.000 1.106 461 F CA -0.119 57.785 58.000 -0.159 0.000 1.196 461 F CB 1.128 40.001 39.000 -0.211 0.000 1.163 461 F HN 0.532 nan 8.300 nan 0.000 0.547 462 S N 2.043 116.980 115.700 -1.272 0.000 2.606 462 S HA 0.188 4.657 4.470 -0.000 0.000 0.257 462 S C -0.148 174.238 174.600 -0.357 0.000 1.327 462 S CA -1.053 56.328 58.200 -1.364 0.000 0.984 462 S CB 0.290 62.730 63.200 -1.267 0.000 0.941 462 S HN 0.537 nan 8.310 nan 0.000 0.576 463 K N 1.298 121.624 120.400 -0.123 0.000 2.527 463 K HA -0.006 4.314 4.320 -0.000 0.000 0.278 463 K C 0.254 176.855 176.600 0.001 0.000 0.981 463 K CA 0.621 56.918 56.287 0.016 0.000 1.009 463 K CB -0.110 32.443 32.500 0.089 0.000 0.895 463 K HN 0.731 nan 8.250 nan 0.000 0.493 464 E N 0.763 120.977 120.200 0.024 0.000 2.637 464 E HA -0.285 4.065 4.350 -0.000 0.000 0.265 464 E C -0.319 176.275 176.600 -0.009 0.000 1.073 464 E CA 0.325 56.741 56.400 0.027 0.000 0.778 464 E CB -1.619 28.110 29.700 0.049 0.000 1.362 464 E HN 0.855 nan 8.360 nan 0.000 0.413 465 A N 0.006 122.792 122.820 -0.057 0.000 2.446 465 A HA -0.361 3.959 4.320 -0.000 0.000 0.293 465 A C 1.358 178.909 177.584 -0.056 0.000 1.447 465 A CA 2.169 54.154 52.037 -0.087 0.000 0.807 465 A CB -1.040 17.728 19.000 -0.387 0.000 1.038 465 A HN 0.467 nan 8.150 nan 0.000 0.396 466 K N -1.576 118.761 120.400 -0.106 0.000 2.067 466 K HA 0.143 4.463 4.320 -0.000 0.000 0.203 466 K C 0.020 176.288 176.600 -0.554 0.000 1.048 466 K CA 1.264 57.374 56.287 -0.296 0.000 0.954 466 K CB 0.100 32.464 32.500 -0.227 0.000 0.737 466 K HN 0.675 nan 8.250 nan 0.000 0.444 467 Y N -0.940 119.280 120.300 -0.133 0.000 2.570 467 Y HA 0.328 4.878 4.550 -0.000 0.000 0.345 467 Y C -0.903 174.899 175.900 -0.164 0.000 1.014 467 Y CA -1.415 56.605 58.100 -0.133 0.000 1.063 467 Y CB 1.586 40.020 38.460 -0.044 0.000 1.272 467 Y HN -0.030 nan 8.280 nan 0.000 0.477 468 Y N -1.278 119.032 120.300 0.017 0.000 2.534 468 Y HA 0.538 5.088 4.550 -0.000 0.000 0.345 468 Y C -1.003 174.990 175.900 0.156 0.000 1.031 468 Y CA -1.609 56.411 58.100 -0.133 0.000 1.022 468 Y CB 1.382 39.237 38.460 -1.009 0.000 1.292 468 Y HN 0.599 nan 8.280 nan 0.000 0.459 469 Q N 3.125 123.099 119.800 0.290 0.000 2.267 469 Q HA 0.508 4.848 4.340 -0.000 0.000 0.255 469 Q C -1.506 174.582 176.000 0.147 0.000 0.923 469 Q CA -0.579 55.303 55.803 0.131 0.000 0.925 469 Q CB 1.097 29.835 28.738 0.000 0.000 1.195 469 Q HN 0.931 nan 8.270 nan 0.000 0.417 470 L N 3.706 125.030 121.223 0.168 0.000 2.334 470 L HA 0.567 4.906 4.340 -0.000 0.000 0.275 470 L C -0.085 176.830 176.870 0.074 0.000 1.036 470 L CA -0.582 54.344 54.840 0.145 0.000 0.807 470 L CB 1.585 43.732 42.059 0.146 0.000 1.231 470 L HN 0.579 nan 8.230 nan 0.000 0.438 471 R N 2.703 123.204 120.500 0.003 0.000 2.468 471 R HA 0.346 4.685 4.340 -0.000 0.000 0.302 471 R C -0.932 175.149 176.300 -0.366 0.000 1.041 471 R CA -0.580 55.313 56.100 -0.345 0.000 0.899 471 R CB 1.272 31.372 30.300 -0.334 0.000 1.167 471 R HN 0.808 nan 8.270 nan 0.000 0.483 472 c N 2.845 121.107 118.600 -0.563 0.000 2.415 472 c HA 0.413 4.983 4.570 -0.000 0.000 0.369 472 c C 0.923 174.767 174.090 -0.409 0.000 1.279 472 c CA -0.331 55.571 56.329 -0.712 0.000 1.886 472 c CB 0.965 42.900 42.510 -0.958 0.000 2.468 472 c HN 0.906 nan 8.230 nan 0.000 0.553 473 S N 2.552 118.118 115.700 -0.223 0.000 2.540 473 S HA 0.533 5.003 4.470 -0.000 0.000 0.218 473 S C 0.727 175.273 174.600 -0.090 0.000 0.977 473 S CA 0.568 58.699 58.200 -0.114 0.000 0.918 473 S CB -0.039 63.141 63.200 -0.034 0.000 0.806 473 S HN 1.437 nan 8.310 nan 0.000 0.496 474 G N 1.343 110.078 108.800 -0.109 0.000 2.315 474 G HA2 0.252 4.212 3.960 -0.000 0.000 0.294 474 G HA3 0.252 4.212 3.960 -0.000 0.000 0.294 474 G C -3.048 171.818 174.900 -0.058 0.000 1.300 474 G CA -0.591 44.479 45.100 -0.051 0.000 0.843 474 G HN -0.168 nan 8.290 nan 0.000 0.527 475 P HA 0.200 nan 4.420 nan 0.000 0.249 475 P C 1.080 178.408 177.300 0.047 0.000 1.229 475 P CA 1.102 64.223 63.100 0.034 0.000 0.788 475 P CB 0.605 32.326 31.700 0.034 0.000 1.072 476 G N 0.114 108.865 108.800 -0.081 0.000 2.568 476 G HA2 0.483 4.443 3.960 -0.000 0.000 0.293 476 G HA3 0.483 4.443 3.960 -0.000 0.000 0.293 476 G C -0.434 174.196 174.900 -0.451 0.000 1.347 476 G CA -0.856 44.110 45.100 -0.224 0.000 1.039 476 G HN 0.005 nan 8.290 nan 0.000 0.523 477 L N 1.208 122.087 121.223 -0.572 0.000 2.514 477 L HA 0.125 4.465 4.340 -0.000 0.000 0.280 477 L C -1.901 174.792 176.870 -0.295 0.000 1.223 477 L CA -1.097 53.394 54.840 -0.581 0.000 0.864 477 L CB 0.325 42.141 42.059 -0.405 0.000 1.118 477 L HN 0.227 nan 8.230 nan 0.000 0.494 478 P HA 0.079 nan 4.420 nan 0.000 0.266 478 P C -0.784 176.432 177.300 -0.140 0.000 1.195 478 P CA 0.142 63.148 63.100 -0.158 0.000 0.768 478 P CB 0.593 32.284 31.700 -0.014 0.000 0.838 479 L N 3.797 124.848 121.223 -0.286 0.000 2.439 479 L HA 0.422 4.762 4.340 -0.000 0.000 0.270 479 L C -1.406 175.304 176.870 -0.267 0.000 0.972 479 L CA -0.800 53.942 54.840 -0.165 0.000 0.836 479 L CB 1.236 43.211 42.059 -0.140 0.000 1.255 479 L HN 0.357 nan 8.230 nan 0.000 0.404 480 Y N 2.085 122.333 120.300 -0.088 0.000 2.334 480 Y HA 0.489 5.039 4.550 -0.000 0.000 0.336 480 Y C 0.587 176.379 175.900 -0.181 0.000 0.960 480 Y CA -0.601 57.427 58.100 -0.121 0.000 1.164 480 Y CB 2.026 40.384 38.460 -0.169 0.000 1.155 480 Y HN 0.480 nan 8.280 nan 0.000 0.478 481 T N 1.178 115.739 114.554 0.013 0.000 2.932 481 T HA 0.734 5.084 4.350 -0.000 0.000 0.289 481 T C -1.260 173.348 174.700 -0.152 0.000 1.039 481 T CA -0.914 61.135 62.100 -0.086 0.000 1.024 481 T CB 2.173 71.061 68.868 0.033 0.000 1.090 481 T HN 0.348 nan 8.240 nan 0.000 0.496 482 L N 1.496 122.483 121.223 -0.393 0.000 2.365 482 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 482 L C -1.418 175.093 176.870 -0.599 0.000 1.000 482 L CA -0.337 54.312 54.840 -0.319 0.000 0.819 482 L CB 1.471 43.391 42.059 -0.232 0.000 1.284 482 L HN 0.861 nan 8.230 nan 0.000 0.418 483 H N 0.798 119.647 119.070 -0.368 0.000 2.961 483 H HA 0.624 5.180 4.556 -0.000 0.000 0.371 483 H C -0.992 174.105 175.328 -0.384 0.000 1.190 483 H CA -0.762 54.978 56.048 -0.513 0.000 1.138 483 H CB 1.980 31.105 29.762 -1.061 0.000 1.816 483 H HN 0.458 nan 8.280 nan 0.000 0.551 484 S N 0.646 116.294 115.700 -0.085 0.000 2.437 484 S HA 0.266 4.736 4.470 -0.000 0.000 0.305 484 S C 0.516 175.050 174.600 -0.111 0.000 1.109 484 S CA -0.495 57.654 58.200 -0.085 0.000 1.099 484 S CB 0.929 64.139 63.200 0.017 0.000 1.004 484 S HN 0.635 nan 8.310 nan 0.000 0.475 485 S N 3.908 119.526 115.700 -0.138 0.000 2.368 485 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 485 S C 2.013 176.592 174.600 -0.035 0.000 1.029 485 S CA 1.245 59.465 58.200 0.033 0.000 0.988 485 S CB -0.687 62.526 63.200 0.021 0.000 0.838 485 S HN 0.666 nan 8.310 nan 0.000 0.462 486 V N 2.694 122.552 119.914 -0.093 0.000 2.240 486 V HA -0.359 3.761 4.120 -0.000 0.000 0.257 486 V C 1.417 177.501 176.094 -0.016 0.000 1.067 486 V CA 2.529 64.802 62.300 -0.045 0.000 1.067 486 V CB -0.825 30.963 31.823 -0.057 0.000 0.683 486 V HN 0.531 nan 8.190 nan 0.000 0.461 487 N N -1.688 117.004 118.700 -0.013 0.000 2.187 487 N HA 0.151 4.891 4.740 -0.000 0.000 0.212 487 N C -0.224 175.289 175.510 0.004 0.000 1.152 487 N CA 0.219 53.268 53.050 -0.002 0.000 0.872 487 N CB 0.606 39.096 38.487 0.004 0.000 1.025 487 N HN 0.444 nan 8.380 nan 0.000 0.514 488 D N 0.391 120.803 120.400 0.020 0.000 2.907 488 D HA -0.174 4.466 4.640 -0.000 0.000 0.226 488 D C -0.430 175.900 176.300 0.050 0.000 1.141 488 D CA 0.778 54.819 54.000 0.068 0.000 0.779 488 D CB -0.533 40.308 40.800 0.068 0.000 1.095 488 D HN 0.298 nan 8.370 nan 0.000 0.430 489 K N 0.960 121.371 120.400 0.018 0.000 2.412 489 K HA 0.242 4.562 4.320 -0.000 0.000 0.281 489 K C 0.894 177.484 176.600 -0.018 0.000 1.027 489 K CA 0.226 56.513 56.287 0.000 0.000 0.989 489 K CB 0.690 33.183 32.500 -0.011 0.000 0.935 489 K HN 0.173 nan 8.250 nan 0.000 0.475 490 G N 3.956 112.735 108.800 -0.036 0.000 2.340 490 G HA2 0.081 4.041 3.960 -0.000 0.000 0.245 490 G HA3 0.081 4.041 3.960 -0.000 0.000 0.245 490 G C 0.986 175.766 174.900 -0.201 0.000 1.294 490 G CA -0.347 44.635 45.100 -0.197 0.000 0.896 490 G HN 0.654 nan 8.290 nan 0.000 0.522 491 L N 1.362 122.411 121.223 -0.290 0.000 2.269 491 L HA 0.386 4.726 4.340 -0.000 0.000 0.200 491 L C 1.395 178.167 176.870 -0.162 0.000 1.069 491 L CA 0.491 55.228 54.840 -0.173 0.000 0.804 491 L CB 0.171 42.150 42.059 -0.134 0.000 0.987 491 L HN 0.521 nan 8.230 nan 0.000 0.468 492 R N -0.891 119.474 120.500 -0.225 0.000 2.907 492 R HA 0.307 4.647 4.340 -0.000 0.000 0.246 492 R C -1.568 174.597 176.300 -0.225 0.000 1.082 492 R CA -0.397 55.596 56.100 -0.178 0.000 1.003 492 R CB 1.894 32.105 30.300 -0.149 0.000 1.261 492 R HN -0.248 nan 8.270 nan 0.000 0.474 493 V N 5.669 125.480 119.914 -0.171 0.000 2.649 493 V HA 0.206 4.326 4.120 -0.000 0.000 0.292 493 V C 1.070 177.028 176.094 -0.226 0.000 1.055 493 V CA 0.006 62.204 62.300 -0.169 0.000 1.023 493 V CB 1.464 33.226 31.823 -0.102 0.000 0.992 493 V HN 0.714 nan 8.190 nan 0.000 0.480 494 L N 1.825 122.856 121.223 -0.319 0.000 2.347 494 L HA 0.394 4.734 4.340 -0.000 0.000 0.196 494 L C 0.572 177.263 176.870 -0.298 0.000 1.072 494 L CA 0.453 54.952 54.840 -0.568 0.000 0.817 494 L CB 0.223 41.508 42.059 -1.289 0.000 1.029 494 L HN 0.619 nan 8.230 nan 0.000 0.478 495 E N 0.051 120.165 120.200 -0.144 0.000 2.263 495 E HA 0.146 4.496 4.350 -0.000 0.000 0.268 495 E C -1.060 175.590 176.600 0.084 0.000 0.884 495 E CA -0.377 56.036 56.400 0.021 0.000 0.766 495 E CB 1.481 31.203 29.700 0.038 0.000 1.196 495 E HN 0.211 nan 8.360 nan 0.000 0.416 496 D N 2.813 123.241 120.400 0.047 0.000 2.474 496 D HA 0.104 4.744 4.640 -0.000 0.000 0.213 496 D C -0.244 176.068 176.300 0.019 0.000 1.120 496 D CA -0.123 53.892 54.000 0.025 0.000 0.836 496 D CB 0.029 40.826 40.800 -0.006 0.000 1.019 496 D HN 0.428 nan 8.370 nan 0.000 0.507 497 N N 0.139 118.864 118.700 0.042 0.000 2.747 497 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 497 N C 0.865 176.379 175.510 0.007 0.000 1.107 497 N CA 0.915 53.984 53.050 0.032 0.000 0.707 497 N CB -1.438 37.061 38.487 0.020 0.000 1.054 497 N HN 0.450 nan 8.380 nan 0.000 0.555 498 S N -0.991 114.715 115.700 0.009 0.000 2.383 498 S HA -0.010 4.460 4.470 -0.000 0.000 0.227 498 S C 2.165 176.776 174.600 0.018 0.000 1.026 498 S CA 0.990 59.191 58.200 0.002 0.000 0.981 498 S CB -0.247 62.954 63.200 0.002 0.000 0.818 498 S HN 0.515 nan 8.310 nan 0.000 0.472 499 A N 2.415 125.255 122.820 0.034 0.000 1.903 499 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 499 A C 2.245 179.868 177.584 0.064 0.000 1.191 499 A CA 1.690 53.757 52.037 0.050 0.000 0.638 499 A CB -1.007 18.028 19.000 0.058 0.000 0.823 499 A HN 0.520 nan 8.150 nan 0.000 0.451 500 L N -0.783 120.478 121.223 0.063 0.000 2.083 500 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 500 L C 2.264 179.152 176.870 0.030 0.000 1.083 500 L CA 2.493 57.379 54.840 0.078 0.000 0.752 500 L CB -0.610 41.494 42.059 0.076 0.000 0.899 500 L HN 0.470 nan 8.230 nan 0.000 0.433 501 D N 0.031 120.427 120.400 -0.006 0.000 2.097 501 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 501 D C 2.168 178.461 176.300 -0.011 0.000 0.989 501 D CA 1.435 55.416 54.000 -0.032 0.000 0.827 501 D CB 0.180 40.955 40.800 -0.042 0.000 0.966 501 D HN 0.135 nan 8.370 nan 0.000 0.456 502 K N -0.579 119.827 120.400 0.010 0.000 2.032 502 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 502 K C 2.350 178.968 176.600 0.031 0.000 1.048 502 K CA 1.161 57.460 56.287 0.021 0.000 0.927 502 K CB -0.131 32.388 32.500 0.031 0.000 0.712 502 K HN 0.229 nan 8.250 nan 0.000 0.441 503 M N 0.506 120.139 119.600 0.054 0.000 2.065 503 M HA -0.207 4.273 4.480 -0.000 0.000 0.259 503 M C 2.063 178.346 176.300 -0.029 0.000 1.069 503 M CA 1.662 57.012 55.300 0.083 0.000 1.110 503 M CB -0.346 32.374 32.600 0.201 0.000 1.328 503 M HN 0.167 nan 8.290 nan 0.000 0.405 504 L N -0.611 120.558 121.223 -0.091 0.000 2.376 504 L HA -0.166 4.174 4.340 -0.000 0.000 0.219 504 L C 2.200 179.019 176.870 -0.086 0.000 1.133 504 L CA 0.674 55.416 54.840 -0.163 0.000 0.816 504 L CB -0.558 41.431 42.059 -0.116 0.000 0.933 504 L HN 0.415 nan 8.230 nan 0.000 0.449 505 Q N 0.041 119.816 119.800 -0.042 0.000 2.364 505 Q HA -0.142 4.198 4.340 -0.000 0.000 0.209 505 Q C 1.147 177.145 176.000 -0.004 0.000 0.977 505 Q CA 0.948 56.741 55.803 -0.017 0.000 0.885 505 Q CB 0.135 28.872 28.738 -0.003 0.000 0.941 505 Q HN 0.446 nan 8.270 nan 0.000 0.464 506 N N -0.368 118.329 118.700 -0.005 0.000 2.235 506 N HA 0.052 4.792 4.740 -0.000 0.000 0.209 506 N C -0.299 175.224 175.510 0.022 0.000 1.122 506 N CA 0.145 53.208 53.050 0.022 0.000 0.845 506 N CB 1.134 39.652 38.487 0.052 0.000 1.004 506 N HN 0.084 nan 8.380 nan 0.000 0.499 507 V N -1.172 118.728 119.914 -0.024 0.000 3.019 507 V HA 0.399 4.519 4.120 -0.000 0.000 0.317 507 V C -0.173 175.919 176.094 -0.003 0.000 1.094 507 V CA -0.803 61.496 62.300 -0.003 0.000 1.000 507 V CB 2.362 34.164 31.823 -0.035 0.000 1.060 507 V HN -0.122 nan 8.190 nan 0.000 0.443 508 Q N 3.319 123.132 119.800 0.020 0.000 3.027 508 Q HA 0.326 4.666 4.340 -0.000 0.000 0.260 508 Q C -0.446 175.521 176.000 -0.056 0.000 1.379 508 Q CA -0.477 55.307 55.803 -0.032 0.000 1.038 508 Q CB 0.352 29.081 28.738 -0.016 0.000 1.578 508 Q HN 0.665 nan 8.270 nan 0.000 0.571 509 M N 2.952 122.510 119.600 -0.071 0.000 2.249 509 M HA 0.146 4.626 4.480 -0.000 0.000 0.340 509 M C -1.936 174.295 176.300 -0.114 0.000 1.166 509 M CA -2.131 53.116 55.300 -0.089 0.000 1.115 509 M CB -0.394 32.165 32.600 -0.069 0.000 1.606 509 M HN 0.237 nan 8.290 nan 0.000 0.448 510 P HA 0.222 nan 4.420 nan 0.000 0.274 510 P C -0.721 176.501 177.300 -0.130 0.000 1.256 510 P CA -0.356 62.658 63.100 -0.143 0.000 0.795 510 P CB 0.553 32.155 31.700 -0.164 0.000 1.038 511 S N -0.731 114.884 115.700 -0.143 0.000 2.726 511 S HA 0.619 5.089 4.470 -0.000 0.000 0.308 511 S C -0.611 173.904 174.600 -0.142 0.000 1.115 511 S CA -0.816 57.312 58.200 -0.120 0.000 0.965 511 S CB 1.786 64.918 63.200 -0.113 0.000 1.145 511 S HN 0.502 nan 8.310 nan 0.000 0.532 512 K N 0.656 120.993 120.400 -0.105 0.000 2.463 512 K HA 0.356 4.676 4.320 -0.000 0.000 0.255 512 K C -1.313 175.237 176.600 -0.083 0.000 0.942 512 K CA -0.504 55.727 56.287 -0.094 0.000 0.814 512 K CB 1.250 33.716 32.500 -0.058 0.000 1.122 512 K HN 0.644 nan 8.250 nan 0.000 0.425 513 K N 6.079 126.421 120.400 -0.097 0.000 2.240 513 K HA 0.292 4.612 4.320 -0.000 0.000 0.271 513 K C -1.264 175.319 176.600 -0.029 0.000 1.018 513 K CA -0.546 55.698 56.287 -0.071 0.000 0.874 513 K CB 0.879 33.314 32.500 -0.108 0.000 1.098 513 K HN 0.652 nan 8.250 nan 0.000 0.458 514 L N 4.870 126.084 121.223 -0.016 0.000 2.298 514 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 514 L C -0.756 176.129 176.870 0.026 0.000 1.013 514 L CA -0.171 54.681 54.840 0.021 0.000 0.824 514 L CB 1.138 43.253 42.059 0.093 0.000 1.221 514 L HN 0.802 nan 8.230 nan 0.000 0.418 515 D N 2.808 123.094 120.400 -0.190 0.000 2.825 515 D HA 0.455 5.095 4.640 -0.000 0.000 0.327 515 D C -1.601 174.397 176.300 -0.504 0.000 1.277 515 D CA -0.076 53.724 54.000 -0.333 0.000 0.950 515 D CB 2.541 43.083 40.800 -0.430 0.000 1.438 515 D HN 0.204 nan 8.370 nan 0.000 0.526 516 F N 0.090 119.703 119.950 -0.561 0.000 2.588 516 F HA 0.672 5.199 4.527 -0.000 0.000 0.314 516 F C -0.463 175.371 175.800 0.057 0.000 1.069 516 F CA -1.034 56.694 58.000 -0.452 0.000 0.931 516 F CB 0.608 38.919 39.000 -1.148 0.000 1.260 516 F HN 0.226 nan 8.300 nan 0.000 0.465 517 I N 0.454 121.334 120.570 0.517 0.000 3.076 517 I HA 0.658 4.828 4.170 -0.000 0.000 0.313 517 I C -0.873 175.492 176.117 0.414 0.000 1.053 517 I CA -1.203 60.338 61.300 0.402 0.000 1.048 517 I CB 1.729 39.916 38.000 0.311 0.000 1.264 517 I HN 0.445 nan 8.210 nan 0.000 0.498 518 I N 3.305 124.044 120.570 0.282 0.000 2.404 518 I HA 0.469 4.639 4.170 -0.000 0.000 0.293 518 I C -0.862 175.392 176.117 0.227 0.000 0.992 518 I CA -0.454 60.988 61.300 0.236 0.000 1.149 518 I CB 1.495 39.588 38.000 0.155 0.000 1.315 518 I HN 0.410 nan 8.210 nan 0.000 0.446 519 L N 6.138 127.550 121.223 0.316 0.000 2.410 519 L HA 0.444 4.784 4.340 -0.000 0.000 0.270 519 L C -0.066 176.940 176.870 0.226 0.000 0.983 519 L CA -0.538 54.448 54.840 0.244 0.000 0.822 519 L CB 1.152 43.370 42.059 0.266 0.000 1.285 519 L HN 0.438 nan 8.230 nan 0.000 0.409 520 N N 3.210 121.980 118.700 0.118 0.000 2.678 520 N HA -0.262 4.477 4.740 -0.000 0.000 0.268 520 N C 0.779 176.331 175.510 0.071 0.000 1.010 520 N CA 1.312 54.409 53.050 0.079 0.000 0.784 520 N CB -0.735 37.789 38.487 0.062 0.000 0.905 520 N HN 0.899 nan 8.380 nan 0.000 0.552 521 E N -3.629 116.603 120.200 0.053 0.000 4.562 521 E HA -0.262 4.088 4.350 -0.000 0.000 0.293 521 E C -0.428 176.157 176.600 -0.025 0.000 0.724 521 E CA 1.959 58.368 56.400 0.016 0.000 1.636 521 E CB -0.971 28.730 29.700 0.003 0.000 1.797 521 E HN 0.572 nan 8.360 nan 0.000 0.420 522 T N 1.016 115.551 114.554 -0.033 0.000 2.922 522 T HA 0.346 4.696 4.350 -0.000 0.000 0.285 522 T C -0.016 174.464 174.700 -0.366 0.000 1.005 522 T CA -0.332 61.624 62.100 -0.239 0.000 1.061 522 T CB 1.374 70.026 68.868 -0.359 0.000 1.007 522 T HN -0.002 nan 8.240 nan 0.000 0.502 523 K N 1.904 121.972 120.400 -0.553 0.000 2.248 523 K HA 0.437 4.757 4.320 -0.000 0.000 0.281 523 K C -1.172 175.006 176.600 -0.704 0.000 1.054 523 K CA -0.173 55.783 56.287 -0.552 0.000 0.903 523 K CB 0.561 32.591 32.500 -0.784 0.000 1.077 523 K HN 0.399 nan 8.250 nan 0.000 0.474 524 F N 1.630 121.596 119.950 0.027 0.000 2.551 524 F HA 0.400 4.927 4.527 -0.000 0.000 0.316 524 F C -0.483 175.388 175.800 0.119 0.000 1.089 524 F CA -0.853 57.202 58.000 0.091 0.000 0.915 524 F CB 1.084 40.170 39.000 0.143 0.000 1.186 524 F HN 0.420 nan 8.300 nan 0.000 0.456 525 W N 2.490 123.937 121.300 0.245 0.000 2.516 525 W HA 0.609 5.269 4.660 -0.000 0.000 0.343 525 W C -0.964 175.735 176.519 0.300 0.000 1.094 525 W CA -0.925 56.567 57.345 0.244 0.000 1.250 525 W CB 0.834 30.377 29.460 0.138 0.000 1.308 525 W HN 0.420 nan 8.180 nan 0.000 0.588 526 Y N -0.344 120.316 120.300 0.599 0.000 2.534 526 Y HA 0.562 5.112 4.550 -0.000 0.000 0.345 526 Y C -0.674 175.460 175.900 0.391 0.000 1.031 526 Y CA -1.840 56.599 58.100 0.565 0.000 1.022 526 Y CB 0.967 39.941 38.460 0.858 0.000 1.292 526 Y HN 0.588 nan 8.280 nan 0.000 0.459 527 Q N 3.274 123.321 119.800 0.412 0.000 2.226 527 Q HA 0.727 5.067 4.340 -0.000 0.000 0.256 527 Q C -1.325 174.841 176.000 0.277 0.000 0.962 527 Q CA -1.022 54.928 55.803 0.245 0.000 0.887 527 Q CB 2.716 31.538 28.738 0.141 0.000 1.282 527 Q HN 0.866 nan 8.270 nan 0.000 0.449 528 M N 2.301 121.983 119.600 0.135 0.000 2.393 528 M HA 0.450 4.930 4.480 -0.000 0.000 0.316 528 M C -1.171 175.073 176.300 -0.094 0.000 1.087 528 M CA -0.716 54.572 55.300 -0.019 0.000 0.937 528 M CB 2.226 34.754 32.600 -0.120 0.000 1.668 528 M HN 0.617 nan 8.290 nan 0.000 0.438 529 I N 4.267 124.771 120.570 -0.110 0.000 2.304 529 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 529 I C -0.856 175.122 176.117 -0.232 0.000 1.018 529 I CA -0.196 61.011 61.300 -0.154 0.000 1.260 529 I CB 0.648 38.577 38.000 -0.119 0.000 1.390 529 I HN 0.488 nan 8.210 nan 0.000 0.475 530 L N 8.492 129.537 121.223 -0.298 0.000 2.317 530 L HA 0.540 4.880 4.340 -0.000 0.000 0.281 530 L C -2.287 174.418 176.870 -0.276 0.000 1.024 530 L CA -2.058 52.526 54.840 -0.427 0.000 0.810 530 L CB 1.167 42.814 42.059 -0.688 0.000 1.240 530 L HN 0.273 nan 8.230 nan 0.000 0.427 531 P HA 0.009 nan 4.420 nan 0.000 0.267 531 P C -2.430 174.830 177.300 -0.066 0.000 1.201 531 P CA -0.732 62.312 63.100 -0.093 0.000 0.775 531 P CB -0.370 31.346 31.700 0.026 0.000 0.854 532 P HA -0.102 nan 4.420 nan 0.000 0.265 532 P C -0.338 176.884 177.300 -0.130 0.000 1.187 532 P CA 0.671 63.626 63.100 -0.242 0.000 0.766 532 P CB -0.286 31.178 31.700 -0.392 0.000 0.820 533 H N -1.971 117.141 119.070 0.071 0.000 2.770 533 H HA -0.214 4.342 4.556 -0.000 0.000 0.309 533 H C 0.060 175.458 175.328 0.116 0.000 1.206 533 H CA -0.355 55.739 56.048 0.076 0.000 1.147 533 H CB -2.305 27.493 29.762 0.059 0.000 1.422 533 H HN 0.339 nan 8.280 nan 0.000 0.420 534 F N 2.339 122.305 119.950 0.027 0.000 2.608 534 F HA 0.097 4.624 4.527 -0.000 0.000 0.380 534 F C 0.576 176.403 175.800 0.045 0.000 1.083 534 F CA -0.144 57.824 58.000 -0.053 0.000 1.266 534 F CB 0.512 39.352 39.000 -0.267 0.000 1.076 534 F HN 0.259 nan 8.300 nan 0.000 0.574 535 D N 6.281 126.349 120.400 -0.553 0.000 2.344 535 D HA 0.143 4.783 4.640 -0.000 0.000 0.239 535 D C 0.422 176.280 176.300 -0.737 0.000 1.064 535 D CA -0.521 53.225 54.000 -0.424 0.000 0.829 535 D CB 1.292 41.993 40.800 -0.164 0.000 1.129 535 D HN 0.672 nan 8.370 nan 0.000 0.506 536 K N 1.368 121.482 120.400 -0.477 0.000 2.504 536 K HA -0.070 4.250 4.320 -0.000 0.000 0.195 536 K C 1.328 177.924 176.600 -0.007 0.000 1.036 536 K CA 0.445 56.612 56.287 -0.200 0.000 0.984 536 K CB -0.040 32.515 32.500 0.091 0.000 0.788 536 K HN 0.259 nan 8.250 nan 0.000 0.488 537 S N 0.431 116.092 115.700 -0.065 0.000 2.478 537 S HA 0.036 4.506 4.470 -0.000 0.000 0.222 537 S C 0.767 175.345 174.600 -0.036 0.000 1.008 537 S CA -0.194 57.992 58.200 -0.024 0.000 0.928 537 S CB 0.031 63.212 63.200 -0.033 0.000 0.781 537 S HN 0.178 nan 8.310 nan 0.000 0.518 538 K N 1.225 121.576 120.400 -0.082 0.000 2.120 538 K HA 0.331 4.651 4.320 -0.000 0.000 0.245 538 K C -0.443 176.131 176.600 -0.043 0.000 1.024 538 K CA -0.215 55.988 56.287 -0.139 0.000 0.906 538 K CB 0.458 32.758 32.500 -0.333 0.000 1.051 538 K HN 0.163 nan 8.250 nan 0.000 0.491 539 K N 2.392 122.720 120.400 -0.120 0.000 2.449 539 K HA 0.226 4.546 4.320 -0.000 0.000 0.257 539 K C -1.242 175.320 176.600 -0.062 0.000 0.989 539 K CA -0.452 55.828 56.287 -0.012 0.000 0.916 539 K CB 0.886 33.361 32.500 -0.042 0.000 1.136 539 K HN 0.380 nan 8.250 nan 0.000 0.439 540 Y N 2.811 123.146 120.300 0.059 0.000 2.352 540 Y HA 0.235 4.785 4.550 -0.000 0.000 0.326 540 Y C -1.896 173.964 175.900 -0.066 0.000 1.166 540 Y CA -2.434 55.686 58.100 0.033 0.000 1.182 540 Y CB 0.779 39.330 38.460 0.151 0.000 1.216 540 Y HN 0.459 nan 8.280 nan 0.000 0.474 541 P HA 0.105 nan 4.420 nan 0.000 0.271 541 P C -1.065 176.108 177.300 -0.212 0.000 1.216 541 P CA -0.055 62.812 63.100 -0.388 0.000 0.776 541 P CB 1.190 32.477 31.700 -0.688 0.000 0.881 542 L N 3.729 124.806 121.223 -0.244 0.000 2.376 542 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 542 L C -0.878 176.131 176.870 0.231 0.000 0.987 542 L CA -0.811 54.043 54.840 0.023 0.000 0.828 542 L CB 1.293 43.375 42.059 0.038 0.000 1.249 542 L HN 0.251 nan 8.230 nan 0.000 0.409 543 L N 6.090 127.497 121.223 0.307 0.000 2.264 543 L HA 0.363 4.703 4.340 -0.000 0.000 0.287 543 L C -0.777 176.325 176.870 0.386 0.000 1.039 543 L CA -0.912 54.179 54.840 0.419 0.000 0.829 543 L CB 1.454 43.714 42.059 0.335 0.000 1.211 543 L HN 0.630 nan 8.230 nan 0.000 0.427 544 L N 5.408 126.907 121.223 0.461 0.000 2.485 544 L HA 0.180 4.520 4.340 -0.000 0.000 0.279 544 L C -0.121 177.002 176.870 0.423 0.000 1.124 544 L CA 0.324 55.428 54.840 0.441 0.000 0.888 544 L CB 0.364 42.727 42.059 0.507 0.000 1.217 544 L HN 0.475 nan 8.230 nan 0.000 0.464 545 D N 4.422 125.047 120.400 0.374 0.000 2.347 545 D HA 0.208 4.847 4.640 -0.000 0.000 0.235 545 D C -0.921 175.464 176.300 0.141 0.000 1.149 545 D CA 0.038 54.184 54.000 0.244 0.000 0.850 545 D CB 1.210 42.229 40.800 0.365 0.000 1.061 545 D HN 0.327 nan 8.370 nan 0.000 0.487 546 V N 5.662 125.578 119.914 0.004 0.000 2.628 546 V HA 0.392 4.511 4.120 -0.000 0.000 0.306 546 V C -0.742 175.423 176.094 0.118 0.000 1.045 546 V CA -0.404 61.956 62.300 0.100 0.000 0.905 546 V CB 1.641 33.517 31.823 0.089 0.000 0.997 546 V HN 0.660 nan 8.190 nan 0.000 0.436 547 Y N 5.168 125.528 120.300 0.100 0.000 3.105 547 Y HA 0.539 5.089 4.550 -0.000 0.000 0.216 547 Y C 1.511 177.538 175.900 0.211 0.000 0.943 547 Y CA 1.141 59.327 58.100 0.144 0.000 1.535 547 Y CB 0.061 38.593 38.460 0.119 0.000 1.475 547 Y HN 0.944 nan 8.280 nan 0.000 0.435 548 A N 1.020 123.923 122.820 0.138 0.000 2.826 548 A HA -0.142 4.178 4.320 -0.000 0.000 0.274 548 A C 0.896 178.335 177.584 -0.242 0.000 1.443 548 A CA 0.945 53.012 52.037 0.050 0.000 0.833 548 A CB -2.346 16.736 19.000 0.136 0.000 1.023 548 A HN 0.930 nan 8.150 nan 0.000 0.600 549 G N -1.056 107.388 108.800 -0.594 0.000 2.616 549 G HA2 0.512 4.472 3.960 -0.000 0.000 0.268 549 G HA3 0.512 4.472 3.960 -0.000 0.000 0.268 549 G C -2.398 172.217 174.900 -0.476 0.000 1.213 549 G CA -1.012 43.427 45.100 -1.101 0.000 0.926 549 G HN 0.301 nan 8.290 nan 0.000 0.523 550 P HA 0.149 nan 4.420 nan 0.000 0.266 550 P C 0.423 177.579 177.300 -0.239 0.000 1.215 550 P CA 0.052 62.880 63.100 -0.453 0.000 0.763 550 P CB 0.759 31.799 31.700 -1.099 0.000 0.806 551 C N 2.675 121.901 119.300 -0.124 0.000 4.475 551 C HA -0.146 4.314 4.460 -0.000 0.000 0.280 551 C C 0.927 175.938 174.990 0.035 0.000 1.338 551 C CA 1.109 60.031 59.018 -0.160 0.000 1.893 551 C CB -2.690 24.830 27.740 -0.367 0.000 1.299 551 C HN 0.769 nan 8.230 nan 0.000 0.767 552 S N 0.048 115.827 115.700 0.132 0.000 2.632 552 S HA 0.606 5.076 4.470 -0.000 0.000 0.267 552 S C -0.635 174.116 174.600 0.253 0.000 1.276 552 S CA -0.015 58.350 58.200 0.274 0.000 0.998 552 S CB 1.684 65.125 63.200 0.401 0.000 0.953 552 S HN 0.769 nan 8.310 nan 0.000 0.547 553 Q N -0.060 119.918 119.800 0.295 0.000 2.295 553 Q HA 0.366 4.706 4.340 -0.000 0.000 0.259 553 Q C -0.678 175.448 176.000 0.210 0.000 0.966 553 Q CA -0.618 55.348 55.803 0.271 0.000 0.763 553 Q CB 1.080 30.036 28.738 0.362 0.000 1.283 553 Q HN 0.642 nan 8.270 nan 0.000 0.445 554 K N 0.809 121.329 120.400 0.200 0.000 2.360 554 K HA 0.349 4.669 4.320 -0.000 0.000 0.196 554 K C -0.385 176.319 176.600 0.174 0.000 1.049 554 K CA 0.276 56.673 56.287 0.184 0.000 1.049 554 K CB 1.407 34.043 32.500 0.226 0.000 0.881 554 K HN 0.518 nan 8.250 nan 0.000 0.542 555 A N 2.651 125.580 122.820 0.182 0.000 2.249 555 A HA 0.482 4.802 4.320 -0.000 0.000 0.314 555 A C -0.760 176.883 177.584 0.100 0.000 1.290 555 A CA -0.408 51.734 52.037 0.175 0.000 0.893 555 A CB 0.189 19.348 19.000 0.266 0.000 1.165 555 A HN 0.272 nan 8.150 nan 0.000 0.530 556 D N -0.260 120.174 120.400 0.056 0.000 2.692 556 D HA 0.356 4.995 4.640 -0.000 0.000 0.303 556 D C 0.311 176.602 176.300 -0.015 0.000 1.278 556 D CA 0.236 54.247 54.000 0.018 0.000 0.852 556 D CB 0.193 40.996 40.800 0.005 0.000 1.375 556 D HN 0.190 nan 8.370 nan 0.000 0.453 557 T N -2.338 112.215 114.554 -0.002 0.000 3.144 557 T HA 0.250 4.599 4.350 -0.000 0.000 0.249 557 T C 0.879 175.525 174.700 -0.091 0.000 1.089 557 T CA 0.115 62.215 62.100 -0.000 0.000 0.989 557 T CB -0.562 68.360 68.868 0.090 0.000 0.992 557 T HN 0.584 nan 8.240 nan 0.000 0.540 558 V N 0.919 120.671 119.914 -0.269 0.000 2.732 558 V HA 0.563 4.683 4.120 -0.000 0.000 0.297 558 V C -0.218 175.823 176.094 -0.087 0.000 1.060 558 V CA -1.309 60.817 62.300 -0.289 0.000 1.038 558 V CB 0.436 31.909 31.823 -0.583 0.000 1.003 558 V HN 0.359 nan 8.190 nan 0.000 0.481 559 F N 7.481 127.335 119.950 -0.160 0.000 2.444 559 F HA 0.576 5.103 4.527 -0.000 0.000 0.360 559 F C 0.620 176.366 175.800 -0.090 0.000 1.106 559 F CA -0.272 57.662 58.000 -0.110 0.000 1.170 559 F CB 0.239 39.184 39.000 -0.092 0.000 1.113 559 F HN 0.616 nan 8.300 nan 0.000 0.521 560 R N 6.810 126.976 120.500 -0.556 0.000 2.740 560 R HA 0.562 4.902 4.340 -0.000 0.000 0.282 560 R C -1.486 174.398 176.300 -0.693 0.000 0.969 560 R CA -1.128 54.701 56.100 -0.452 0.000 0.918 560 R CB 1.989 32.156 30.300 -0.221 0.000 1.175 560 R HN 0.623 nan 8.270 nan 0.000 0.464 561 L N 3.729 124.716 121.223 -0.392 0.000 2.313 561 L HA 0.371 4.711 4.340 -0.000 0.000 0.273 561 L C -0.164 176.670 176.870 -0.061 0.000 1.028 561 L CA -0.261 54.404 54.840 -0.291 0.000 0.871 561 L CB 0.255 42.292 42.059 -0.037 0.000 1.242 561 L HN 0.871 nan 8.230 nan 0.000 0.434 562 N N -0.349 118.239 118.700 -0.187 0.000 3.418 562 N HA 0.186 4.926 4.740 -0.000 0.000 0.316 562 N C 0.290 175.472 175.510 -0.546 0.000 1.601 562 N CA -0.895 51.951 53.050 -0.340 0.000 0.805 562 N CB 0.605 39.002 38.487 -0.151 0.000 1.873 562 N HN 0.217 nan 8.380 nan 0.000 0.615 563 W N 0.981 121.687 121.300 -0.990 0.000 2.315 563 W HA -0.074 4.586 4.660 -0.000 0.000 0.323 563 W C 2.522 179.013 176.519 -0.048 0.000 1.233 563 W CA 2.925 59.963 57.345 -0.511 0.000 1.267 563 W CB -1.089 28.264 29.460 -0.177 0.000 1.160 563 W HN 0.728 nan 8.180 nan 0.000 0.474 564 A N -0.283 122.512 122.820 -0.041 0.000 1.915 564 A HA -0.334 3.985 4.320 -0.000 0.000 0.220 564 A C 1.952 179.440 177.584 -0.161 0.000 1.198 564 A CA 3.284 55.236 52.037 -0.142 0.000 0.647 564 A CB -1.510 17.483 19.000 -0.013 0.000 0.825 564 A HN 0.375 nan 8.150 nan 0.000 0.456 565 T N -1.494 112.968 114.554 -0.153 0.000 2.699 565 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 565 T C 1.766 176.475 174.700 0.014 0.000 1.036 565 T CA 1.936 63.912 62.100 -0.207 0.000 1.147 565 T CB -0.482 68.091 68.868 -0.490 0.000 0.862 565 T HN 0.745 nan 8.240 nan 0.000 0.446 566 Y N 1.519 121.881 120.300 0.103 0.000 2.263 566 Y HA 0.121 4.671 4.550 -0.000 0.000 0.292 566 Y C 1.931 177.834 175.900 0.006 0.000 1.130 566 Y CA 0.735 58.960 58.100 0.209 0.000 1.179 566 Y CB -0.538 38.057 38.460 0.226 0.000 0.998 566 Y HN 0.111 nan 8.280 nan 0.000 0.532 567 L N 0.242 121.130 121.223 -0.557 0.000 2.093 567 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 567 L C 2.796 179.442 176.870 -0.373 0.000 1.085 567 L CA 1.197 55.636 54.840 -0.668 0.000 0.755 567 L CB -0.899 40.803 42.059 -0.594 0.000 0.904 567 L HN 0.409 nan 8.230 nan 0.000 0.435 568 A N -1.260 121.413 122.820 -0.245 0.000 1.898 568 A HA -0.162 4.157 4.320 -0.000 0.000 0.214 568 A C 2.520 180.040 177.584 -0.107 0.000 1.183 568 A CA 1.739 53.684 52.037 -0.153 0.000 0.622 568 A CB -0.531 18.376 19.000 -0.154 0.000 0.824 568 A HN 0.292 nan 8.150 nan 0.000 0.444 569 S N -1.356 114.295 115.700 -0.083 0.000 2.368 569 S HA -0.098 4.372 4.470 -0.000 0.000 0.224 569 S C 1.997 176.595 174.600 -0.003 0.000 1.029 569 S CA 2.144 60.338 58.200 -0.010 0.000 0.988 569 S CB -0.238 63.025 63.200 0.105 0.000 0.838 569 S HN 0.614 nan 8.310 nan 0.000 0.462 570 T N 0.697 115.209 114.554 -0.070 0.000 3.046 570 T HA 0.188 4.538 4.350 -0.000 0.000 0.242 570 T C 1.219 175.859 174.700 -0.100 0.000 1.018 570 T CA 0.383 62.452 62.100 -0.051 0.000 1.131 570 T CB 0.003 68.861 68.868 -0.018 0.000 0.904 570 T HN 0.206 nan 8.240 nan 0.000 0.459 571 E N 1.496 121.552 120.200 -0.239 0.000 2.474 571 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 571 E C 0.158 176.741 176.600 -0.030 0.000 1.039 571 E CA -0.104 56.205 56.400 -0.151 0.000 0.881 571 E CB -0.064 29.488 29.700 -0.247 0.000 0.970 571 E HN 0.327 nan 8.360 nan 0.000 0.486 572 N N 0.691 119.390 118.700 -0.002 0.000 2.725 572 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 572 N C -0.496 175.134 175.510 0.199 0.000 1.103 572 N CA 0.614 53.747 53.050 0.138 0.000 0.707 572 N CB -1.399 37.200 38.487 0.187 0.000 1.043 572 N HN 0.280 nan 8.380 nan 0.000 0.553 573 I N 1.249 121.860 120.570 0.068 0.000 2.331 573 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 573 I C 0.975 177.097 176.117 0.008 0.000 0.998 573 I CA -0.622 60.729 61.300 0.084 0.000 1.267 573 I CB 0.988 39.038 38.000 0.082 0.000 1.386 573 I HN -0.039 nan 8.210 nan 0.000 0.476 574 I N 7.179 127.756 120.570 0.011 0.000 2.505 574 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 574 I C -0.190 175.915 176.117 -0.021 0.000 1.104 574 I CA -0.062 61.190 61.300 -0.079 0.000 1.387 574 I CB 0.458 38.399 38.000 -0.099 0.000 1.404 574 I HN 0.208 nan 8.210 nan 0.000 0.528 575 V N 7.209 127.098 119.914 -0.041 0.000 2.364 575 V HA 0.570 4.690 4.120 -0.000 0.000 0.272 575 V C 0.533 176.652 176.094 0.042 0.000 1.036 575 V CA -0.438 61.885 62.300 0.039 0.000 0.880 575 V CB 0.845 32.694 31.823 0.043 0.000 0.991 575 V HN 0.821 nan 8.190 nan 0.000 0.460 576 A N 4.141 127.013 122.820 0.086 0.000 2.337 576 A HA 0.911 5.231 4.320 -0.000 0.000 0.331 576 A C -0.107 177.632 177.584 0.259 0.000 1.137 576 A CA -0.466 51.610 52.037 0.066 0.000 0.807 576 A CB 1.687 20.549 19.000 -0.229 0.000 1.250 576 A HN 0.671 nan 8.150 nan 0.000 0.468 577 S N -0.353 115.555 115.700 0.346 0.000 2.569 577 S HA 0.788 5.258 4.470 -0.000 0.000 0.280 577 S C -1.614 173.353 174.600 0.612 0.000 1.111 577 S CA -0.291 58.160 58.200 0.418 0.000 0.887 577 S CB 1.330 64.712 63.200 0.305 0.000 1.095 577 S HN 0.877 nan 8.310 nan 0.000 0.476 578 F N 1.864 122.045 119.950 0.385 0.000 2.588 578 F HA 0.403 4.930 4.527 -0.000 0.000 0.318 578 F C -1.661 174.333 175.800 0.324 0.000 1.155 578 F CA -0.635 57.617 58.000 0.419 0.000 0.967 578 F CB 1.343 40.582 39.000 0.400 0.000 1.236 578 F HN 0.383 nan 8.300 nan 0.000 0.455 579 D N 4.929 125.091 120.400 -0.397 0.000 2.411 579 D HA 0.357 4.997 4.640 -0.000 0.000 0.225 579 D C 0.410 176.404 176.300 -0.510 0.000 1.156 579 D CA 0.259 54.120 54.000 -0.231 0.000 0.874 579 D CB 1.483 42.305 40.800 0.037 0.000 1.034 579 D HN 0.766 nan 8.370 nan 0.000 0.502 580 G N 1.515 110.119 108.800 -0.327 0.000 2.606 580 G HA2 0.300 4.260 3.960 -0.000 0.000 0.262 580 G HA3 0.300 4.260 3.960 -0.000 0.000 0.262 580 G C 0.302 175.126 174.900 -0.127 0.000 1.394 580 G CA -0.669 44.248 45.100 -0.305 0.000 1.044 580 G HN 0.295 nan 8.290 nan 0.000 0.553 581 R N -1.163 119.244 120.500 -0.155 0.000 2.756 581 R HA 0.348 4.688 4.340 -0.000 0.000 0.264 581 R C 1.435 177.788 176.300 0.088 0.000 1.026 581 R CA 1.434 57.563 56.100 0.049 0.000 1.121 581 R CB 0.286 30.618 30.300 0.054 0.000 0.999 581 R HN 1.079 nan 8.270 nan 0.000 0.449 582 G N 0.556 109.415 108.800 0.097 0.000 2.234 582 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 582 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 582 G C 0.118 175.028 174.900 0.016 0.000 0.987 582 G CA 0.484 45.625 45.100 0.067 0.000 0.625 582 G HN 0.731 nan 8.290 nan 0.000 0.532 583 S N -0.007 115.715 115.700 0.038 0.000 2.632 583 S HA 0.731 5.201 4.470 -0.000 0.000 0.267 583 S C 0.733 175.316 174.600 -0.028 0.000 1.276 583 S CA 0.360 58.579 58.200 0.031 0.000 0.998 583 S CB 2.003 65.252 63.200 0.083 0.000 0.953 583 S HN 1.620 nan 8.310 nan 0.000 0.547 584 G N -0.977 107.767 108.800 -0.092 0.000 2.601 584 G HA2 0.520 4.480 3.960 -0.000 0.000 0.317 584 G HA3 0.520 4.480 3.960 -0.000 0.000 0.317 584 G C -0.998 173.771 174.900 -0.218 0.000 1.246 584 G CA -1.029 43.869 45.100 -0.337 0.000 1.012 584 G HN 0.890 nan 8.290 nan 0.000 0.494 585 Y N -2.329 117.991 120.300 0.033 0.000 4.841 585 Y HA -0.218 4.332 4.550 -0.000 0.000 0.242 585 Y C 1.495 177.431 175.900 0.060 0.000 1.002 585 Y CA 1.125 59.255 58.100 0.050 0.000 2.011 585 Y CB -2.069 36.431 38.460 0.067 0.000 1.554 585 Y HN 0.559 nan 8.280 nan 0.000 0.618 586 Q N -0.232 119.629 119.800 0.103 0.000 2.093 586 Q HA 0.521 4.861 4.340 -0.000 0.000 0.217 586 Q C 0.962 176.961 176.000 -0.001 0.000 0.785 586 Q CA 0.271 56.152 55.803 0.130 0.000 1.038 586 Q CB 1.786 30.594 28.738 0.116 0.000 1.190 586 Q HN 0.569 nan 8.270 nan 0.000 0.468 587 G N 0.674 109.346 108.800 -0.213 0.000 2.612 587 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 587 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 587 G C -0.640 173.944 174.900 -0.528 0.000 1.274 587 G CA -0.499 44.205 45.100 -0.660 0.000 0.849 587 G HN 0.070 nan 8.290 nan 0.000 0.595 588 D N -0.329 119.705 120.400 -0.610 0.000 2.194 588 D HA 0.003 4.643 4.640 -0.000 0.000 0.204 588 D C 2.253 178.317 176.300 -0.393 0.000 0.964 588 D CA 1.179 54.816 54.000 -0.604 0.000 0.846 588 D CB 0.017 40.516 40.800 -0.502 0.000 0.962 588 D HN 0.510 nan 8.370 nan 0.000 0.490 589 K N 0.269 120.482 120.400 -0.312 0.000 2.063 589 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 589 K C 1.983 178.519 176.600 -0.107 0.000 1.048 589 K CA 0.965 57.149 56.287 -0.171 0.000 0.928 589 K CB -0.066 32.348 32.500 -0.144 0.000 0.713 589 K HN 0.106 nan 8.250 nan 0.000 0.442 590 I N 0.224 120.729 120.570 -0.108 0.000 2.277 590 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 590 I C 2.583 178.680 176.117 -0.034 0.000 1.094 590 I CA 0.886 62.188 61.300 0.004 0.000 1.393 590 I CB -0.076 37.971 38.000 0.078 0.000 1.078 590 I HN 0.249 nan 8.210 nan 0.000 0.417 591 M N -0.031 119.463 119.600 -0.176 0.000 2.099 591 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 591 M C 1.890 178.113 176.300 -0.127 0.000 1.067 591 M CA 1.936 57.115 55.300 -0.202 0.000 1.124 591 M CB -0.265 32.098 32.600 -0.395 0.000 1.353 591 M HN 0.258 nan 8.290 nan 0.000 0.410 592 H N -0.588 118.368 119.070 -0.190 0.000 2.553 592 H HA 0.161 4.717 4.556 -0.000 0.000 0.269 592 H C 1.734 177.078 175.328 0.027 0.000 1.011 592 H CA 0.144 56.096 56.048 -0.160 0.000 1.150 592 H CB 0.039 29.621 29.762 -0.300 0.000 1.339 592 H HN 0.506 nan 8.280 nan 0.000 0.604 593 A N 0.601 123.515 122.820 0.156 0.000 2.125 593 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 593 A C 1.896 179.706 177.584 0.377 0.000 1.156 593 A CA 1.104 53.262 52.037 0.202 0.000 0.671 593 A CB -0.155 18.915 19.000 0.117 0.000 0.794 593 A HN 0.437 nan 8.150 nan 0.000 0.459 594 I N -0.971 119.773 120.570 0.291 0.000 4.082 594 I HA 0.092 4.262 4.170 -0.000 0.000 0.337 594 I C 0.434 176.636 176.117 0.143 0.000 1.352 594 I CA -0.322 61.098 61.300 0.201 0.000 1.097 594 I CB 0.004 38.095 38.000 0.152 0.000 1.048 594 I HN 0.305 nan 8.210 nan 0.000 0.393 595 N N 2.171 121.029 118.700 0.263 0.000 2.301 595 N HA -0.149 4.591 4.740 -0.000 0.000 0.267 595 N C 0.431 175.976 175.510 0.057 0.000 1.304 595 N CA 0.764 53.971 53.050 0.262 0.000 0.851 595 N CB 0.106 38.717 38.487 0.207 0.000 1.070 595 N HN 0.210 nan 8.380 nan 0.000 0.483 596 R N 0.510 121.006 120.500 -0.008 0.000 3.989 596 R HA -0.229 4.111 4.340 -0.000 0.000 0.377 596 R C -0.223 175.875 176.300 -0.336 0.000 1.158 596 R CA 1.121 57.153 56.100 -0.115 0.000 1.035 596 R CB -1.507 28.762 30.300 -0.053 0.000 1.557 596 R HN 0.642 nan 8.270 nan 0.000 0.551 597 R N 0.339 120.606 120.500 -0.389 0.000 2.559 597 R HA 0.305 4.645 4.340 -0.000 0.000 0.448 597 R C -0.308 175.783 176.300 -0.348 0.000 0.953 597 R CA -0.325 55.323 56.100 -0.754 0.000 1.086 597 R CB 0.719 30.682 30.300 -0.561 0.000 1.491 597 R HN 0.006 nan 8.270 nan 0.000 0.597 598 L N 0.742 121.879 121.223 -0.144 0.000 2.559 598 L HA 0.052 4.392 4.340 -0.000 0.000 0.282 598 L C 1.064 178.187 176.870 0.422 0.000 1.232 598 L CA 1.505 56.401 54.840 0.093 0.000 0.885 598 L CB 0.322 42.246 42.059 -0.225 0.000 1.131 598 L HN 0.722 nan 8.230 nan 0.000 0.498 599 G N 2.019 111.080 108.800 0.434 0.000 2.255 599 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.239 599 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.239 599 G C 0.104 175.084 174.900 0.134 0.000 1.083 599 G CA 0.226 45.522 45.100 0.327 0.000 0.826 599 G HN 0.769 nan 8.290 nan 0.000 0.493 600 T N -1.889 112.705 114.554 0.068 0.000 3.175 600 T HA 0.424 4.774 4.350 -0.000 0.000 0.120 600 T C 1.486 176.172 174.700 -0.024 0.000 0.818 600 T CA 0.826 62.884 62.100 -0.070 0.000 0.721 600 T CB -0.222 68.489 68.868 -0.262 0.000 1.629 600 T HN 0.095 nan 8.240 nan 0.000 0.289 601 F N 3.318 123.302 119.950 0.057 0.000 2.216 601 F HA 0.059 4.586 4.527 -0.000 0.000 0.300 601 F C 2.591 178.408 175.800 0.029 0.000 1.085 601 F CA 1.289 59.308 58.000 0.032 0.000 1.326 601 F CB -0.511 38.504 39.000 0.025 0.000 1.027 601 F HN 0.453 nan 8.300 nan 0.000 0.497 602 E N 0.723 121.053 120.200 0.216 0.000 2.153 602 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 602 E C 2.046 178.728 176.600 0.137 0.000 0.988 602 E CA 1.535 58.034 56.400 0.165 0.000 0.811 602 E CB -0.987 28.818 29.700 0.174 0.000 0.746 602 E HN 0.301 nan 8.360 nan 0.000 0.466 603 V N 1.808 121.781 119.914 0.098 0.000 2.273 603 V HA -0.195 3.925 4.120 -0.000 0.000 0.242 603 V C 2.399 178.523 176.094 0.050 0.000 1.035 603 V CA 1.976 64.297 62.300 0.035 0.000 1.013 603 V CB -0.683 31.117 31.823 -0.038 0.000 0.652 603 V HN 0.188 nan 8.190 nan 0.000 0.452 604 E N 0.515 120.757 120.200 0.070 0.000 2.070 604 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 604 E C 1.883 178.506 176.600 0.039 0.000 1.004 604 E CA 1.772 58.212 56.400 0.066 0.000 0.805 604 E CB -0.282 29.489 29.700 0.118 0.000 0.744 604 E HN 0.587 nan 8.360 nan 0.000 0.451 605 D N 0.186 120.620 120.400 0.057 0.000 2.219 605 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 605 D C 1.943 178.244 176.300 0.001 0.000 0.970 605 D CA 0.679 54.691 54.000 0.020 0.000 0.851 605 D CB -0.101 40.721 40.800 0.037 0.000 0.943 605 D HN 0.112 nan 8.370 nan 0.000 0.488 606 Q N -0.056 119.793 119.800 0.081 0.000 2.123 606 Q HA 0.001 4.340 4.340 -0.000 0.000 0.199 606 Q C 2.462 178.483 176.000 0.034 0.000 0.966 606 Q CA 0.528 56.389 55.803 0.097 0.000 0.845 606 Q CB 0.015 28.842 28.738 0.149 0.000 0.907 606 Q HN 0.405 nan 8.270 nan 0.000 0.439 607 I N 0.680 121.282 120.570 0.054 0.000 2.233 607 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 607 I C 2.374 178.420 176.117 -0.119 0.000 1.093 607 I CA 0.960 62.301 61.300 0.069 0.000 1.380 607 I CB -0.217 37.836 38.000 0.089 0.000 1.067 607 I HN 0.085 nan 8.210 nan 0.000 0.413 608 E N 1.562 121.666 120.200 -0.159 0.000 2.130 608 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 608 E C 2.059 178.401 176.600 -0.429 0.000 0.998 608 E CA 1.903 58.164 56.400 -0.232 0.000 0.806 608 E CB -0.194 29.404 29.700 -0.171 0.000 0.738 608 E HN 0.461 nan 8.360 nan 0.000 0.459 609 A N 0.176 122.587 122.820 -0.683 0.000 1.970 609 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 609 A C 2.367 179.283 177.584 -1.113 0.000 1.170 609 A CA 1.435 52.764 52.037 -1.180 0.000 0.645 609 A CB -0.646 17.111 19.000 -2.071 0.000 0.816 609 A HN 0.341 nan 8.150 nan 0.000 0.447 610 A N -0.007 122.485 122.820 -0.546 0.000 1.873 610 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 610 A C 2.211 179.602 177.584 -0.322 0.000 1.186 610 A CA 1.494 53.369 52.037 -0.271 0.000 0.616 610 A CB -0.508 18.424 19.000 -0.113 0.000 0.823 610 A HN 0.495 nan 8.150 nan 0.000 0.442 611 R N -0.718 119.586 120.500 -0.327 0.000 2.112 611 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 611 R C 2.576 178.716 176.300 -0.266 0.000 1.137 611 R CA 2.163 58.104 56.100 -0.265 0.000 0.944 611 R CB -0.362 29.808 30.300 -0.217 0.000 0.857 611 R HN 0.689 nan 8.270 nan 0.000 0.435 612 Q N -0.816 118.765 119.800 -0.365 0.000 2.084 612 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 612 Q C 1.993 177.843 176.000 -0.249 0.000 0.978 612 Q CA 1.377 56.983 55.803 -0.329 0.000 0.844 612 Q CB -0.089 28.406 28.738 -0.405 0.000 0.898 612 Q HN 0.273 nan 8.270 nan 0.000 0.426 613 F N 0.372 120.157 119.950 -0.276 0.000 2.202 613 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 613 F C 2.552 178.182 175.800 -0.284 0.000 1.082 613 F CA 0.756 58.582 58.000 -0.289 0.000 1.313 613 F CB -0.905 37.955 39.000 -0.233 0.000 1.024 613 F HN -0.034 nan 8.300 nan 0.000 0.495 614 S N -0.323 115.332 115.700 -0.076 0.000 2.356 614 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 614 S C 2.078 176.588 174.600 -0.150 0.000 1.032 614 S CA 1.144 59.268 58.200 -0.127 0.000 1.005 614 S CB -0.152 62.957 63.200 -0.151 0.000 0.867 614 S HN 0.318 nan 8.310 nan 0.000 0.449 615 K N 0.224 120.534 120.400 -0.149 0.000 2.211 615 K HA 0.045 4.365 4.320 -0.000 0.000 0.203 615 K C 0.403 176.902 176.600 -0.169 0.000 1.050 615 K CA 0.500 56.704 56.287 -0.137 0.000 0.945 615 K CB -0.127 32.303 32.500 -0.116 0.000 0.732 615 K HN 0.406 nan 8.250 nan 0.000 0.451 616 M N -0.065 119.388 119.600 -0.245 0.000 2.252 616 M HA -0.011 4.468 4.480 -0.000 0.000 0.333 616 M C 1.170 177.196 176.300 -0.457 0.000 1.111 616 M CA 0.237 55.294 55.300 -0.406 0.000 1.140 616 M CB 0.697 32.876 32.600 -0.703 0.000 1.538 616 M HN 0.079 nan 8.290 nan 0.000 0.448 617 G N 1.821 110.424 108.800 -0.329 0.000 3.383 617 G HA2 0.256 4.216 3.960 -0.000 0.000 0.251 617 G HA3 0.256 4.216 3.960 -0.000 0.000 0.251 617 G C 0.314 175.210 174.900 -0.007 0.000 1.203 617 G CA -0.211 44.810 45.100 -0.130 0.000 0.852 617 G HN 0.814 nan 8.290 nan 0.000 0.531 618 F N -1.118 118.897 119.950 0.108 0.000 2.817 618 F HA 0.418 4.945 4.527 -0.000 0.000 0.333 618 F C 0.112 176.033 175.800 0.202 0.000 1.085 618 F CA -1.302 56.808 58.000 0.183 0.000 1.170 618 F CB -0.009 39.201 39.000 0.349 0.000 1.066 618 F HN -0.008 nan 8.300 nan 0.000 0.564 619 V N 1.583 121.495 119.914 -0.003 0.000 2.370 619 V HA 0.482 4.602 4.120 -0.000 0.000 0.279 619 V C -0.756 175.320 176.094 -0.030 0.000 1.029 619 V CA -0.543 61.780 62.300 0.038 0.000 0.870 619 V CB 1.146 32.951 31.823 -0.031 0.000 0.984 619 V HN 0.223 nan 8.190 nan 0.000 0.451 620 D N 4.861 125.247 120.400 -0.023 0.000 2.352 620 D HA 0.145 4.785 4.640 -0.000 0.000 0.245 620 D C 1.355 177.596 176.300 -0.099 0.000 1.224 620 D CA 0.275 54.234 54.000 -0.068 0.000 0.879 620 D CB 0.667 41.417 40.800 -0.083 0.000 1.057 620 D HN 0.796 nan 8.370 nan 0.000 0.491 621 N N 3.454 122.098 118.700 -0.093 0.000 2.550 621 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 621 N C 0.779 176.233 175.510 -0.093 0.000 1.110 621 N CA 0.194 53.181 53.050 -0.105 0.000 0.912 621 N CB 0.184 38.607 38.487 -0.107 0.000 0.968 621 N HN 0.362 nan 8.380 nan 0.000 0.448 622 K N 0.518 120.871 120.400 -0.078 0.000 2.296 622 K HA 0.078 4.398 4.320 -0.000 0.000 0.200 622 K C 0.385 176.964 176.600 -0.034 0.000 1.048 622 K CA 0.518 56.777 56.287 -0.047 0.000 0.966 622 K CB 0.233 32.711 32.500 -0.038 0.000 0.754 622 K HN 0.235 nan 8.250 nan 0.000 0.466 623 R N 1.017 121.447 120.500 -0.116 0.000 2.651 623 R HA 0.334 4.674 4.340 -0.000 0.000 0.282 623 R C -0.999 175.129 176.300 -0.288 0.000 1.565 623 R CA -0.195 55.770 56.100 -0.225 0.000 1.661 623 R CB 0.526 30.498 30.300 -0.546 0.000 1.189 623 R HN -0.035 nan 8.270 nan 0.000 0.621 624 I N 1.435 122.014 120.570 0.015 0.000 2.389 624 I HA 0.434 4.604 4.170 -0.000 0.000 0.288 624 I C 0.042 176.472 176.117 0.522 0.000 0.999 624 I CA -0.409 60.979 61.300 0.147 0.000 1.129 624 I CB 1.874 39.826 38.000 -0.080 0.000 1.288 624 I HN 0.396 nan 8.210 nan 0.000 0.444 625 A N 7.097 130.363 122.820 0.744 0.000 2.309 625 A HA 0.923 5.243 4.320 -0.000 0.000 0.317 625 A C -0.932 177.037 177.584 0.641 0.000 1.134 625 A CA -0.652 51.805 52.037 0.700 0.000 0.866 625 A CB 1.575 20.886 19.000 0.518 0.000 1.329 625 A HN 0.705 nan 8.150 nan 0.000 0.477 626 I N 0.350 121.173 120.570 0.421 0.000 2.722 626 I HA 0.638 4.808 4.170 -0.000 0.000 0.292 626 I C -2.063 174.288 176.117 0.389 0.000 1.267 626 I CA -0.540 60.925 61.300 0.275 0.000 1.036 626 I CB 1.574 39.387 38.000 -0.313 0.000 1.281 626 I HN 0.936 nan 8.210 nan 0.000 0.423 627 W N 6.956 128.366 121.300 0.182 0.000 3.213 627 W HA 0.842 5.502 4.660 -0.000 0.000 0.318 627 W C -1.702 174.955 176.519 0.230 0.000 1.248 627 W CA -1.312 56.152 57.345 0.197 0.000 1.187 627 W CB 1.132 30.758 29.460 0.277 0.000 1.403 627 W HN 0.797 nan 8.180 nan 0.000 0.556 628 G N 1.639 110.337 108.800 -0.170 0.000 2.759 628 G HA2 0.420 4.380 3.960 -0.000 0.000 0.297 628 G HA3 0.420 4.380 3.960 -0.000 0.000 0.297 628 G C -2.342 172.502 174.900 -0.093 0.000 1.434 628 G CA -0.711 44.182 45.100 -0.345 0.000 0.980 628 G HN 0.571 nan 8.290 nan 0.000 0.531 629 W N 2.267 123.429 121.300 -0.231 0.000 2.315 629 W HA 0.504 5.164 4.660 -0.000 0.000 0.316 629 W C 0.918 177.494 176.519 0.096 0.000 1.211 629 W CA 0.955 58.284 57.345 -0.026 0.000 1.201 629 W CB 1.508 30.969 29.460 0.002 0.000 1.184 629 W HN 1.113 nan 8.180 nan 0.000 0.544 630 S N 3.509 119.420 115.700 0.351 0.000 4.143 630 S HA -0.409 4.061 4.470 -0.000 0.000 0.624 630 S C 1.079 175.807 174.600 0.214 0.000 1.890 630 S CA 1.343 59.792 58.200 0.414 0.000 4.233 630 S CB -1.878 61.787 63.200 0.775 0.000 0.204 630 S HN 0.661 nan 8.310 nan 0.000 0.485 631 Y N 2.665 123.018 120.300 0.089 0.000 2.256 631 Y HA 0.036 4.586 4.550 -0.000 0.000 0.288 631 Y C 2.430 178.254 175.900 -0.127 0.000 1.155 631 Y CA 2.796 60.837 58.100 -0.099 0.000 1.203 631 Y CB -1.050 37.163 38.460 -0.411 0.000 0.980 631 Y HN 0.600 nan 8.280 nan 0.000 0.530 632 G N -0.826 108.017 108.800 0.071 0.000 2.440 632 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 632 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 632 G C 1.941 176.864 174.900 0.039 0.000 1.154 632 G CA 0.878 46.025 45.100 0.079 0.000 0.767 632 G HN 0.573 nan 8.290 nan 0.000 0.552 633 G N -0.313 108.518 108.800 0.052 0.000 2.402 633 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 633 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 633 G C 1.637 176.546 174.900 0.015 0.000 1.162 633 G CA 1.121 46.233 45.100 0.020 0.000 0.777 633 G HN 0.429 nan 8.290 nan 0.000 0.539 634 Y N 1.463 121.648 120.300 -0.192 0.000 2.145 634 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 634 Y C 2.738 178.521 175.900 -0.196 0.000 1.145 634 Y CA 1.570 59.498 58.100 -0.287 0.000 1.148 634 Y CB -0.554 37.564 38.460 -0.570 0.000 0.981 634 Y HN 0.035 nan 8.280 nan 0.000 0.507 635 V N -0.263 119.460 119.914 -0.318 0.000 2.295 635 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 635 V C 2.343 178.312 176.094 -0.209 0.000 1.049 635 V CA 2.475 64.597 62.300 -0.297 0.000 1.024 635 V CB -1.238 30.555 31.823 -0.050 0.000 0.648 635 V HN 0.482 nan 8.190 nan 0.000 0.447 636 T N 0.019 114.507 114.554 -0.110 0.000 2.699 636 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 636 T C 2.102 176.740 174.700 -0.104 0.000 1.036 636 T CA 2.055 64.101 62.100 -0.090 0.000 1.147 636 T CB -0.278 68.610 68.868 0.033 0.000 0.862 636 T HN 0.532 nan 8.240 nan 0.000 0.446 637 S N 0.932 116.604 115.700 -0.046 0.000 2.368 637 S HA 0.022 4.491 4.470 -0.000 0.000 0.224 637 S C 2.122 176.635 174.600 -0.146 0.000 1.029 637 S CA 0.833 59.043 58.200 0.016 0.000 0.988 637 S CB -0.243 63.032 63.200 0.124 0.000 0.838 637 S HN 0.326 nan 8.310 nan 0.000 0.462 638 M N 1.019 120.459 119.600 -0.268 0.000 2.159 638 M HA -0.018 4.462 4.480 -0.000 0.000 0.263 638 M C 2.206 178.350 176.300 -0.261 0.000 1.063 638 M CA 1.023 56.144 55.300 -0.298 0.000 1.110 638 M CB -1.413 30.910 32.600 -0.462 0.000 1.374 638 M HN 0.171 nan 8.290 nan 0.000 0.411 639 V N 0.742 120.498 119.914 -0.264 0.000 2.295 639 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 639 V C 2.549 178.447 176.094 -0.326 0.000 1.049 639 V CA 1.361 63.508 62.300 -0.255 0.000 1.024 639 V CB -0.614 31.017 31.823 -0.321 0.000 0.648 639 V HN 0.416 nan 8.190 nan 0.000 0.447 640 L N 0.311 121.263 121.223 -0.452 0.000 2.191 640 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 640 L C 2.212 178.534 176.870 -0.913 0.000 1.103 640 L CA 1.662 56.117 54.840 -0.640 0.000 0.769 640 L CB -0.876 40.741 42.059 -0.737 0.000 0.908 640 L HN 0.520 nan 8.230 nan 0.000 0.438 641 G N -1.276 107.016 108.800 -0.846 0.000 3.189 641 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.225 641 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.225 641 G C 1.477 176.212 174.900 -0.275 0.000 1.159 641 G CA 0.556 45.277 45.100 -0.630 0.000 0.763 641 G HN 0.444 nan 8.290 nan 0.000 0.549 642 S N -0.638 114.931 115.700 -0.219 0.000 2.489 642 S HA 0.286 4.756 4.470 -0.000 0.000 0.228 642 S C 1.978 176.532 174.600 -0.076 0.000 0.995 642 S CA 0.978 59.111 58.200 -0.112 0.000 0.934 642 S CB -0.085 63.070 63.200 -0.074 0.000 0.771 642 S HN 1.343 nan 8.310 nan 0.000 0.522 643 G N 1.398 110.145 108.800 -0.088 0.000 2.143 643 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.249 643 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.249 643 G C 1.008 175.895 174.900 -0.021 0.000 0.981 643 G CA 0.975 46.045 45.100 -0.050 0.000 0.665 643 G HN 1.187 nan 8.290 nan 0.000 0.528 644 S N 0.122 115.820 115.700 -0.004 0.000 2.419 644 S HA 0.214 4.684 4.470 -0.000 0.000 0.235 644 S C 2.581 177.182 174.600 0.001 0.000 1.019 644 S CA 1.822 60.030 58.200 0.013 0.000 0.982 644 S CB -0.583 62.657 63.200 0.067 0.000 0.789 644 S HN 2.432 nan 8.310 nan 0.000 0.490 645 G N -0.155 108.654 108.800 0.015 0.000 2.212 645 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 645 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 645 G C 0.650 175.537 174.900 -0.021 0.000 1.002 645 G CA 0.547 45.651 45.100 0.007 0.000 0.729 645 G HN 0.761 nan 8.290 nan 0.000 0.517 646 V N -1.201 118.684 119.914 -0.049 0.000 2.992 646 V HA 0.347 4.467 4.120 -0.000 0.000 0.250 646 V C 0.906 176.760 176.094 -0.400 0.000 1.090 646 V CA 0.945 63.087 62.300 -0.264 0.000 1.101 646 V CB -0.136 31.432 31.823 -0.426 0.000 0.743 646 V HN 0.301 nan 8.190 nan 0.000 0.468 647 F N -0.001 119.967 119.950 0.030 0.000 2.436 647 F HA 0.398 4.925 4.527 -0.000 0.000 0.340 647 F C 1.109 176.965 175.800 0.093 0.000 1.113 647 F CA -0.531 57.517 58.000 0.080 0.000 1.022 647 F CB 1.613 40.664 39.000 0.085 0.000 1.128 647 F HN -0.260 nan 8.300 nan 0.000 0.466 648 K N 1.789 122.369 120.400 0.300 0.000 2.057 648 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 648 K C -0.037 176.721 176.600 0.263 0.000 1.050 648 K CA 1.352 57.782 56.287 0.240 0.000 0.935 648 K CB 0.170 32.821 32.500 0.251 0.000 0.715 648 K HN 0.808 nan 8.250 nan 0.000 0.439 649 c N -4.026 114.780 118.600 0.343 0.000 3.295 649 c HA 0.875 5.445 4.570 -0.000 0.000 0.341 649 c C -0.297 174.034 174.090 0.402 0.000 1.418 649 c CA -0.575 55.972 56.329 0.364 0.000 1.240 649 c CB 1.096 43.792 42.510 0.309 0.000 1.562 649 c HN 0.399 nan 8.230 nan 0.000 0.457 650 G N -0.206 108.872 108.800 0.464 0.000 2.523 650 G HA2 0.666 4.625 3.960 -0.000 0.000 0.291 650 G HA3 0.666 4.625 3.960 -0.000 0.000 0.291 650 G C -2.081 173.015 174.900 0.327 0.000 1.450 650 G CA -0.726 44.608 45.100 0.391 0.000 0.790 650 G HN 1.078 nan 8.290 nan 0.000 0.496 651 I N 0.825 121.561 120.570 0.278 0.000 2.389 651 I HA 0.593 4.763 4.170 -0.000 0.000 0.288 651 I C 0.304 176.518 176.117 0.163 0.000 0.999 651 I CA -0.920 60.436 61.300 0.094 0.000 1.129 651 I CB 2.124 40.159 38.000 0.059 0.000 1.288 651 I HN 0.629 nan 8.210 nan 0.000 0.444 652 A N 6.879 129.699 122.820 -0.000 0.000 2.273 652 A HA 0.687 5.007 4.320 -0.000 0.000 0.320 652 A C -0.497 176.989 177.584 -0.164 0.000 1.358 652 A CA -0.476 51.564 52.037 0.006 0.000 0.910 652 A CB 0.604 19.685 19.000 0.134 0.000 1.159 652 A HN 0.469 nan 8.150 nan 0.000 0.526 653 V N 2.263 122.039 119.914 -0.230 0.000 2.370 653 V HA 0.541 4.661 4.120 -0.000 0.000 0.279 653 V C 0.986 176.666 176.094 -0.689 0.000 1.029 653 V CA 0.394 62.353 62.300 -0.568 0.000 0.870 653 V CB 0.604 31.848 31.823 -0.965 0.000 0.984 653 V HN 1.984 nan 8.190 nan 0.000 0.451 654 A N 5.802 128.187 122.820 -0.724 0.000 2.362 654 A HA -0.094 4.226 4.320 -0.000 0.000 0.290 654 A C -2.109 175.265 177.584 -0.349 0.000 1.441 654 A CA 0.202 51.679 52.037 -0.933 0.000 0.743 654 A CB -1.520 17.029 19.000 -0.751 0.000 1.125 654 A HN 0.606 nan 8.150 nan 0.000 0.378 655 P HA 0.463 nan 4.420 nan 0.000 0.286 655 P C 0.144 177.404 177.300 -0.066 0.000 1.261 655 P CA -0.335 62.725 63.100 -0.066 0.000 0.821 655 P CB 1.383 33.066 31.700 -0.028 0.000 1.013 656 V N 2.663 122.444 119.914 -0.222 0.000 2.585 656 V HA 0.008 4.128 4.120 -0.000 0.000 0.296 656 V C 1.717 177.575 176.094 -0.394 0.000 1.035 656 V CA 1.141 63.148 62.300 -0.489 0.000 1.084 656 V CB 0.185 31.319 31.823 -1.148 0.000 0.953 656 V HN 0.798 nan 8.190 nan 0.000 0.483 657 S N 3.885 119.419 115.700 -0.275 0.000 2.520 657 S HA 0.287 4.757 4.470 -0.000 0.000 0.219 657 S C 0.553 174.994 174.600 -0.264 0.000 1.028 657 S CA -0.384 57.725 58.200 -0.151 0.000 0.921 657 S CB 0.364 63.553 63.200 -0.018 0.000 0.844 657 S HN 0.729 nan 8.310 nan 0.000 0.495 658 R N -0.861 119.373 120.500 -0.444 0.000 2.536 658 R HA 0.286 4.626 4.340 -0.000 0.000 0.269 658 R C -1.308 174.710 176.300 -0.470 0.000 1.113 658 R CA -0.644 55.156 56.100 -0.499 0.000 0.948 658 R CB 0.441 30.331 30.300 -0.683 0.000 1.237 658 R HN 0.262 nan 8.270 nan 0.000 0.441 659 W N 1.988 123.189 121.300 -0.166 0.000 2.595 659 W HA 0.045 4.705 4.660 -0.000 0.000 0.257 659 W C 1.170 177.809 176.519 0.200 0.000 1.267 659 W CA 0.276 57.600 57.345 -0.035 0.000 1.300 659 W CB 0.486 29.823 29.460 -0.205 0.000 1.120 659 W HN 0.681 nan 8.180 nan 0.000 0.618 660 E N -0.892 119.470 120.200 0.270 0.000 2.478 660 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 660 E C 1.114 177.842 176.600 0.214 0.000 1.046 660 E CA 0.732 57.245 56.400 0.189 0.000 0.870 660 E CB -0.153 29.545 29.700 -0.004 0.000 0.818 660 E HN 0.359 nan 8.360 nan 0.000 0.527 661 Y N -1.450 118.965 120.300 0.190 0.000 2.503 661 Y HA 0.062 4.612 4.550 -0.000 0.000 0.278 661 Y C 0.792 176.821 175.900 0.216 0.000 1.111 661 Y CA -0.308 57.875 58.100 0.138 0.000 1.270 661 Y CB -0.355 38.127 38.460 0.038 0.000 1.063 661 Y HN 0.021 nan 8.280 nan 0.000 0.548 662 Y N 2.000 122.482 120.300 0.303 0.000 2.289 662 Y HA 0.243 4.793 4.550 -0.000 0.000 0.332 662 Y C 0.420 176.551 175.900 0.385 0.000 1.324 662 Y CA -1.664 56.628 58.100 0.320 0.000 1.478 662 Y CB 0.240 38.932 38.460 0.387 0.000 1.378 662 Y HN 0.160 nan 8.280 nan 0.000 0.558 663 D N -0.842 119.331 120.400 -0.379 0.000 2.339 663 D HA 0.109 4.749 4.640 -0.000 0.000 0.245 663 D C 0.882 177.175 176.300 -0.012 0.000 1.115 663 D CA 0.211 54.019 54.000 -0.320 0.000 0.917 663 D CB 0.936 41.297 40.800 -0.732 0.000 1.192 663 D HN 0.475 nan 8.370 nan 0.000 0.428 664 S N 0.966 116.652 115.700 -0.023 0.000 2.353 664 S HA -0.220 4.250 4.470 -0.000 0.000 0.222 664 S C 1.963 176.588 174.600 0.043 0.000 1.035 664 S CA 1.225 59.461 58.200 0.061 0.000 1.025 664 S CB -1.014 62.222 63.200 0.060 0.000 0.902 664 S HN 0.409 nan 8.310 nan 0.000 0.440 665 V N 0.671 120.544 119.914 -0.068 0.000 2.407 665 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 665 V C 2.265 178.292 176.094 -0.113 0.000 1.055 665 V CA 2.059 64.250 62.300 -0.182 0.000 1.049 665 V CB -0.973 30.553 31.823 -0.496 0.000 0.662 665 V HN 0.609 nan 8.190 nan 0.000 0.455 666 Y N 1.083 121.341 120.300 -0.071 0.000 2.176 666 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 666 Y C 2.653 178.557 175.900 0.006 0.000 1.122 666 Y CA 2.192 60.324 58.100 0.053 0.000 1.128 666 Y CB -0.435 38.258 38.460 0.389 0.000 1.005 666 Y HN 0.188 nan 8.280 nan 0.000 0.509 667 T N 0.357 115.119 114.554 0.345 0.000 2.668 667 T HA -0.173 4.177 4.350 -0.000 0.000 0.262 667 T C 1.534 176.200 174.700 -0.056 0.000 1.045 667 T CA 1.797 64.022 62.100 0.209 0.000 1.152 667 T CB -0.347 68.797 68.868 0.460 0.000 0.864 667 T HN 0.370 nan 8.240 nan 0.000 0.419 668 E N 0.577 120.790 120.200 0.022 0.000 2.273 668 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 668 E C 2.229 178.707 176.600 -0.204 0.000 1.002 668 E CA 0.711 57.105 56.400 -0.011 0.000 0.828 668 E CB -0.129 29.604 29.700 0.054 0.000 0.747 668 E HN 0.307 nan 8.360 nan 0.000 0.491 669 R N -0.358 119.847 120.500 -0.492 0.000 2.148 669 R HA -0.130 4.210 4.340 -0.000 0.000 0.223 669 R C 0.980 176.636 176.300 -1.074 0.000 1.088 669 R CA 1.242 56.830 56.100 -0.855 0.000 0.985 669 R CB 0.144 29.634 30.300 -1.350 0.000 0.880 669 R HN 0.228 nan 8.270 nan 0.000 0.451 670 Y N -2.373 117.589 120.300 -0.564 0.000 2.483 670 Y HA 0.272 4.822 4.550 -0.000 0.000 0.258 670 Y C 1.438 177.140 175.900 -0.330 0.000 1.083 670 Y CA -0.116 57.646 58.100 -0.564 0.000 1.283 670 Y CB 0.621 38.629 38.460 -0.754 0.000 1.178 670 Y HN -0.055 nan 8.280 nan 0.000 0.515 671 M N -0.445 119.048 119.600 -0.180 0.000 2.306 671 M HA 0.395 4.875 4.480 -0.000 0.000 0.292 671 M C 1.072 177.409 176.300 0.061 0.000 1.018 671 M CA 0.711 55.920 55.300 -0.152 0.000 1.007 671 M CB -0.039 32.281 32.600 -0.467 0.000 1.510 671 M HN 0.308 nan 8.290 nan 0.000 0.537 672 G N 2.176 111.008 108.800 0.053 0.000 2.601 672 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.261 672 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.261 672 G C -0.440 174.586 174.900 0.209 0.000 1.289 672 G CA -0.627 44.536 45.100 0.105 0.000 0.920 672 G HN 0.358 nan 8.290 nan 0.000 0.571 673 L N 2.177 123.484 121.223 0.139 0.000 2.325 673 L HA 0.431 4.771 4.340 -0.000 0.000 0.279 673 L C -1.459 175.373 176.870 -0.065 0.000 1.054 673 L CA -1.777 53.094 54.840 0.052 0.000 0.804 673 L CB 2.002 44.064 42.059 0.005 0.000 1.200 673 L HN 0.443 nan 8.230 nan 0.000 0.436 674 P HA 0.086 nan 4.420 nan 0.000 0.220 674 P C -0.665 176.460 177.300 -0.292 0.000 1.806 674 P CA -0.126 62.523 63.100 -0.752 0.000 0.976 674 P CB -0.344 30.591 31.700 -1.275 0.000 1.952 675 T N -2.444 112.029 114.554 -0.134 0.000 2.916 675 T HA 0.475 4.825 4.350 -0.000 0.000 0.292 675 T C -2.284 172.402 174.700 -0.023 0.000 1.055 675 T CA -2.508 59.552 62.100 -0.067 0.000 1.009 675 T CB 1.714 70.556 68.868 -0.043 0.000 1.118 675 T HN -0.292 nan 8.240 nan 0.000 0.497 676 P HA -0.116 nan 4.420 nan 0.000 0.216 676 P C 0.852 178.160 177.300 0.013 0.000 1.150 676 P CA 1.206 64.309 63.100 0.006 0.000 0.843 676 P CB 0.002 31.703 31.700 0.002 0.000 0.787 677 E N -1.496 118.707 120.200 0.006 0.000 2.427 677 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 677 E C 1.156 177.767 176.600 0.018 0.000 1.028 677 E CA 0.759 57.165 56.400 0.010 0.000 0.864 677 E CB -0.442 29.259 29.700 0.002 0.000 0.813 677 E HN 0.323 nan 8.360 nan 0.000 0.514 678 D N -0.407 120.008 120.400 0.026 0.000 3.435 678 D HA 0.158 4.798 4.640 -0.000 0.000 0.209 678 D C -0.033 176.315 176.300 0.079 0.000 1.157 678 D CA -0.262 53.765 54.000 0.046 0.000 1.322 678 D CB -0.054 40.772 40.800 0.043 0.000 0.924 678 D HN -0.024 nan 8.370 nan 0.000 0.180 679 N N 0.769 119.547 118.700 0.129 0.000 2.282 679 N HA 0.120 4.860 4.740 -0.000 0.000 0.240 679 N C 1.392 177.094 175.510 0.320 0.000 1.182 679 N CA -0.146 53.039 53.050 0.225 0.000 0.874 679 N CB 0.728 39.383 38.487 0.281 0.000 1.126 679 N HN 0.141 nan 8.380 nan 0.000 0.516 680 L N 0.702 122.016 121.223 0.152 0.000 2.013 680 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 680 L C 1.216 178.191 176.870 0.174 0.000 1.073 680 L CA 1.966 56.868 54.840 0.104 0.000 0.753 680 L CB -0.424 41.642 42.059 0.011 0.000 0.890 680 L HN 0.307 nan 8.230 nan 0.000 0.432 681 D N -1.023 119.460 120.400 0.138 0.000 2.127 681 D HA -0.290 4.350 4.640 -0.000 0.000 0.190 681 D C 2.087 178.468 176.300 0.135 0.000 1.000 681 D CA 1.604 55.673 54.000 0.114 0.000 0.839 681 D CB -0.494 40.364 40.800 0.097 0.000 0.955 681 D HN 0.468 nan 8.370 nan 0.000 0.446 682 H N -0.786 118.350 119.070 0.111 0.000 2.491 682 H HA -0.101 4.455 4.556 -0.000 0.000 0.290 682 H C 1.858 177.251 175.328 0.107 0.000 1.050 682 H CA 0.830 56.924 56.048 0.077 0.000 1.309 682 H CB -0.062 29.711 29.762 0.018 0.000 1.392 682 H HN 0.235 nan 8.280 nan 0.000 0.554 683 Y N 0.826 121.167 120.300 0.067 0.000 2.181 683 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 683 Y C 2.730 178.615 175.900 -0.024 0.000 1.146 683 Y CA 1.569 59.707 58.100 0.063 0.000 1.164 683 Y CB 0.054 38.556 38.460 0.070 0.000 0.982 683 Y HN 0.067 nan 8.280 nan 0.000 0.515 684 R N -0.265 120.315 120.500 0.134 0.000 2.153 684 R HA -0.067 4.272 4.340 -0.000 0.000 0.218 684 R C 1.665 177.943 176.300 -0.037 0.000 1.072 684 R CA 0.938 57.059 56.100 0.035 0.000 0.990 684 R CB -0.343 29.977 30.300 0.033 0.000 0.889 684 R HN 0.188 nan 8.270 nan 0.000 0.452 685 N N -0.858 117.773 118.700 -0.115 0.000 2.463 685 N HA -0.039 4.701 4.740 -0.000 0.000 0.181 685 N C -0.055 175.334 175.510 -0.202 0.000 1.078 685 N CA 0.803 53.758 53.050 -0.157 0.000 0.902 685 N CB 0.388 38.766 38.487 -0.182 0.000 0.970 685 N HN 0.118 nan 8.380 nan 0.000 0.451 686 S N -1.501 114.058 115.700 -0.235 0.000 2.588 686 S HA 0.159 4.629 4.470 -0.000 0.000 0.245 686 S C 0.292 174.939 174.600 0.079 0.000 1.021 686 S CA -0.739 57.403 58.200 -0.097 0.000 1.006 686 S CB -0.510 62.627 63.200 -0.105 0.000 0.830 686 S HN 0.190 nan 8.310 nan 0.000 0.468 687 T N -1.618 112.941 114.554 0.007 0.000 2.909 687 T HA 0.523 4.873 4.350 -0.000 0.000 0.286 687 T C 1.309 176.021 174.700 0.020 0.000 1.002 687 T CA -0.673 61.426 62.100 -0.001 0.000 1.074 687 T CB 1.427 70.262 68.868 -0.054 0.000 0.984 687 T HN -0.065 nan 8.240 nan 0.000 0.495 688 V N 1.989 121.921 119.914 0.029 0.000 2.407 688 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 688 V C 2.547 178.637 176.094 -0.006 0.000 1.055 688 V CA 1.815 64.126 62.300 0.017 0.000 1.049 688 V CB -0.923 30.907 31.823 0.011 0.000 0.662 688 V HN 0.832 nan 8.190 nan 0.000 0.455 689 M N 0.878 120.457 119.600 -0.035 0.000 2.213 689 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 689 M C 2.326 178.614 176.300 -0.021 0.000 1.062 689 M CA 1.917 57.188 55.300 -0.048 0.000 1.105 689 M CB -1.017 31.561 32.600 -0.037 0.000 1.385 689 M HN 0.520 nan 8.290 nan 0.000 0.417 690 S N 0.549 116.243 115.700 -0.010 0.000 2.465 690 S HA -0.140 4.330 4.470 -0.000 0.000 0.241 690 S C 1.354 175.960 174.600 0.011 0.000 1.000 690 S CA 0.800 58.998 58.200 -0.004 0.000 0.964 690 S CB -0.468 62.724 63.200 -0.013 0.000 0.763 690 S HN 0.624 nan 8.310 nan 0.000 0.512 691 R N 0.147 120.668 120.500 0.035 0.000 2.727 691 R HA 0.584 4.924 4.340 -0.000 0.000 0.410 691 R C 1.415 177.811 176.300 0.160 0.000 1.101 691 R CA 0.340 56.476 56.100 0.060 0.000 1.045 691 R CB 0.132 30.448 30.300 0.026 0.000 1.380 691 R HN 0.315 nan 8.270 nan 0.000 0.587 692 A N 1.737 124.618 122.820 0.101 0.000 1.902 692 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 692 A C 1.806 179.496 177.584 0.177 0.000 1.181 692 A CA 1.132 53.224 52.037 0.092 0.000 0.623 692 A CB -0.077 18.895 19.000 -0.047 0.000 0.818 692 A HN 0.312 nan 8.150 nan 0.000 0.443 693 E N 0.694 120.956 120.200 0.105 0.000 2.114 693 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 693 E C 1.424 178.083 176.600 0.099 0.000 1.008 693 E CA 1.392 57.845 56.400 0.088 0.000 0.810 693 E CB -0.618 29.113 29.700 0.052 0.000 0.739 693 E HN 0.638 nan 8.360 nan 0.000 0.456 694 N N 0.410 119.155 118.700 0.075 0.000 2.364 694 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 694 N C 1.572 177.046 175.510 -0.059 0.000 1.022 694 N CA 0.595 53.637 53.050 -0.013 0.000 0.883 694 N CB -0.309 38.127 38.487 -0.084 0.000 0.965 694 N HN 0.152 nan 8.380 nan 0.000 0.438 695 F N 1.977 121.879 119.950 -0.079 0.000 2.408 695 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 695 F C 2.221 178.023 175.800 0.005 0.000 1.090 695 F CA 0.825 58.772 58.000 -0.089 0.000 1.427 695 F CB -0.158 38.737 39.000 -0.175 0.000 1.070 695 F HN 0.160 nan 8.300 nan 0.000 0.549 696 K N 0.338 120.841 120.400 0.170 0.000 2.362 696 K HA -0.166 4.154 4.320 -0.000 0.000 0.200 696 K C 1.355 178.020 176.600 0.108 0.000 1.046 696 K CA 1.392 57.764 56.287 0.142 0.000 0.952 696 K CB -0.438 32.127 32.500 0.109 0.000 0.753 696 K HN 0.322 nan 8.250 nan 0.000 0.466 697 Q N 1.102 120.944 119.800 0.070 0.000 2.424 697 Q HA 0.065 4.405 4.340 -0.000 0.000 0.204 697 Q C 0.436 176.480 176.000 0.073 0.000 0.933 697 Q CA 0.350 56.186 55.803 0.054 0.000 0.929 697 Q CB 0.654 29.404 28.738 0.019 0.000 1.037 697 Q HN 0.366 nan 8.270 nan 0.000 0.511 698 V N -2.580 117.391 119.914 0.094 0.000 3.074 698 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 698 V C -1.053 175.180 176.094 0.232 0.000 1.117 698 V CA -1.275 61.105 62.300 0.134 0.000 1.014 698 V CB 2.209 34.061 31.823 0.049 0.000 1.057 698 V HN -0.032 nan 8.190 nan 0.000 0.438 699 E N 1.502 121.875 120.200 0.289 0.000 2.156 699 E HA 0.497 4.847 4.350 -0.000 0.000 0.279 699 E C -1.839 175.139 176.600 0.630 0.000 0.965 699 E CA -0.397 56.249 56.400 0.410 0.000 0.789 699 E CB 1.875 31.756 29.700 0.302 0.000 1.098 699 E HN 0.696 nan 8.360 nan 0.000 0.397 700 Y N 3.102 123.668 120.300 0.444 0.000 2.361 700 Y HA 0.421 4.971 4.550 -0.000 0.000 0.337 700 Y C -1.675 174.284 175.900 0.098 0.000 0.965 700 Y CA -1.569 56.709 58.100 0.297 0.000 1.091 700 Y CB 1.071 39.737 38.460 0.344 0.000 1.182 700 Y HN 0.442 nan 8.280 nan 0.000 0.450 701 L N 7.861 128.763 121.223 -0.535 0.000 2.280 701 L HA 0.602 4.942 4.340 -0.000 0.000 0.287 701 L C -1.930 174.503 176.870 -0.728 0.000 1.023 701 L CA -0.699 53.698 54.840 -0.738 0.000 0.819 701 L CB 1.136 42.442 42.059 -1.255 0.000 1.212 701 L HN 0.644 nan 8.230 nan 0.000 0.420 702 L N 6.740 127.613 121.223 -0.583 0.000 2.319 702 L HA 0.700 5.040 4.340 -0.000 0.000 0.281 702 L C -1.248 175.489 176.870 -0.222 0.000 1.005 702 L CA 0.071 54.604 54.840 -0.512 0.000 0.828 702 L CB 1.075 42.802 42.059 -0.552 0.000 1.227 702 L HN 0.606 nan 8.230 nan 0.000 0.415 703 I N 4.423 124.872 120.570 -0.202 0.000 2.608 703 I HA 0.519 4.689 4.170 -0.000 0.000 0.295 703 I C -1.098 174.991 176.117 -0.047 0.000 1.049 703 I CA -0.605 60.639 61.300 -0.093 0.000 1.063 703 I CB 2.042 39.951 38.000 -0.150 0.000 1.248 703 I HN 0.680 nan 8.210 nan 0.000 0.424 704 H N 2.435 121.547 119.070 0.069 0.000 3.163 704 H HA 0.398 4.954 4.556 -0.000 0.000 0.322 704 H C -0.391 175.178 175.328 0.402 0.000 1.047 704 H CA -0.641 55.493 56.048 0.143 0.000 1.418 704 H CB 1.475 31.237 29.762 -0.001 0.000 2.016 704 H HN 0.767 nan 8.280 nan 0.000 0.454 705 G N 1.475 110.617 108.800 0.570 0.000 2.432 705 G HA2 0.190 4.150 3.960 -0.000 0.000 0.257 705 G HA3 0.190 4.150 3.960 -0.000 0.000 0.257 705 G C 1.186 176.377 174.900 0.487 0.000 1.238 705 G CA 0.163 45.568 45.100 0.509 0.000 0.838 705 G HN 0.727 nan 8.290 nan 0.000 0.547 706 T N -0.690 114.013 114.554 0.249 0.000 2.995 706 T HA 0.086 4.436 4.350 -0.000 0.000 0.269 706 T C 1.794 176.477 174.700 -0.029 0.000 1.091 706 T CA 1.130 63.182 62.100 -0.080 0.000 1.128 706 T CB 0.158 68.889 68.868 -0.228 0.000 0.891 706 T HN 0.667 nan 8.240 nan 0.000 0.492 707 A N 1.278 124.173 122.820 0.124 0.000 2.579 707 A HA 0.296 4.616 4.320 -0.000 0.000 0.273 707 A C 0.406 177.954 177.584 -0.061 0.000 1.363 707 A CA -0.487 51.589 52.037 0.064 0.000 0.953 707 A CB -0.540 18.793 19.000 0.554 0.000 1.034 707 A HN 0.329 nan 8.150 nan 0.000 0.536 708 D N 1.466 121.854 120.400 -0.020 0.000 2.342 708 D HA 0.018 4.658 4.640 -0.000 0.000 0.260 708 D C 0.577 176.859 176.300 -0.030 0.000 1.278 708 D CA 0.080 54.172 54.000 0.153 0.000 0.910 708 D CB 0.636 41.691 40.800 0.424 0.000 1.079 708 D HN 0.560 nan 8.370 nan 0.000 0.496 709 D N 2.118 122.551 120.400 0.057 0.000 2.348 709 D HA -0.129 4.511 4.640 -0.000 0.000 0.211 709 D C 0.983 177.205 176.300 -0.131 0.000 0.998 709 D CA -0.017 53.951 54.000 -0.053 0.000 0.873 709 D CB 0.406 41.114 40.800 -0.153 0.000 0.925 709 D HN 0.228 nan 8.370 nan 0.000 0.524 710 N N 0.862 119.599 118.700 0.063 0.000 2.335 710 N HA -0.060 4.680 4.740 -0.000 0.000 0.197 710 N C -0.098 175.334 175.510 -0.130 0.000 1.045 710 N CA 0.592 53.723 53.050 0.135 0.000 0.928 710 N CB 0.249 38.870 38.487 0.224 0.000 1.118 710 N HN -0.114 nan 8.380 nan 0.000 0.471 711 V N 2.784 122.693 119.914 -0.008 0.000 2.288 711 V HA 0.236 4.356 4.120 -0.000 0.000 0.266 711 V C -0.653 175.516 176.094 0.125 0.000 1.048 711 V CA -0.503 61.837 62.300 0.065 0.000 0.842 711 V CB -0.340 31.593 31.823 0.183 0.000 1.064 711 V HN 0.315 nan 8.190 nan 0.000 0.472 712 H N 3.298 122.360 119.070 -0.012 0.000 2.897 712 H HA 0.005 4.561 4.556 -0.000 0.000 0.347 712 H C 0.836 176.005 175.328 -0.265 0.000 1.068 712 H CA -0.109 55.839 56.048 -0.166 0.000 1.426 712 H CB 0.734 30.310 29.762 -0.311 0.000 1.410 712 H HN 0.607 nan 8.280 nan 0.000 0.597 713 F N 2.128 121.851 119.950 -0.380 0.000 2.176 713 F HA -0.344 4.183 4.527 -0.000 0.000 0.301 713 F C 2.581 178.106 175.800 -0.459 0.000 1.071 713 F CA 1.939 59.538 58.000 -0.667 0.000 1.289 713 F CB -0.173 38.598 39.000 -0.381 0.000 1.028 713 F HN 0.680 nan 8.300 nan 0.000 0.494 714 Q N 0.072 119.737 119.800 -0.225 0.000 2.173 714 Q HA -0.296 4.044 4.340 -0.000 0.000 0.208 714 Q C 2.034 177.773 176.000 -0.435 0.000 0.989 714 Q CA 2.129 57.739 55.803 -0.322 0.000 0.872 714 Q CB -0.347 28.158 28.738 -0.388 0.000 0.909 714 Q HN 0.596 nan 8.270 nan 0.000 0.420 715 Q N -0.262 119.318 119.800 -0.366 0.000 2.084 715 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 715 Q C 2.245 178.127 176.000 -0.197 0.000 0.978 715 Q CA 1.647 57.342 55.803 -0.180 0.000 0.844 715 Q CB -0.046 28.685 28.738 -0.012 0.000 0.898 715 Q HN 0.320 nan 8.270 nan 0.000 0.426 716 S N 0.551 116.034 115.700 -0.362 0.000 2.436 716 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 716 S C 1.924 176.267 174.600 -0.429 0.000 1.014 716 S CA 0.682 58.673 58.200 -0.349 0.000 0.950 716 S CB 0.005 63.012 63.200 -0.321 0.000 0.784 716 S HN 0.443 nan 8.310 nan 0.000 0.504 717 A N 0.759 123.248 122.820 -0.551 0.000 2.119 717 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 717 A C 2.054 179.540 177.584 -0.163 0.000 1.153 717 A CA 0.815 52.665 52.037 -0.311 0.000 0.692 717 A CB -0.170 18.708 19.000 -0.203 0.000 0.799 717 A HN 0.333 nan 8.150 nan 0.000 0.458 718 Q N -0.609 119.096 119.800 -0.158 0.000 2.297 718 Q HA 0.128 4.468 4.340 -0.000 0.000 0.203 718 Q C 2.017 177.970 176.000 -0.079 0.000 0.931 718 Q CA 0.604 56.369 55.803 -0.064 0.000 0.885 718 Q CB -0.156 28.608 28.738 0.043 0.000 0.991 718 Q HN 0.756 nan 8.270 nan 0.000 0.498 719 I N 1.346 121.841 120.570 -0.125 0.000 2.113 719 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 719 I C 2.561 178.519 176.117 -0.265 0.000 1.070 719 I CA 1.659 62.839 61.300 -0.200 0.000 1.332 719 I CB -0.572 37.304 38.000 -0.206 0.000 1.044 719 I HN 0.167 nan 8.210 nan 0.000 0.402 720 S N 0.788 116.354 115.700 -0.224 0.000 2.383 720 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 720 S C 2.047 176.641 174.600 -0.011 0.000 1.030 720 S CA 1.563 59.674 58.200 -0.149 0.000 1.002 720 S CB -0.438 62.813 63.200 0.085 0.000 0.829 720 S HN 0.397 nan 8.310 nan 0.000 0.467 721 K N 1.295 121.678 120.400 -0.028 0.000 2.057 721 K HA 0.121 4.441 4.320 -0.000 0.000 0.206 721 K C 2.341 178.932 176.600 -0.013 0.000 1.050 721 K CA 0.988 57.278 56.287 0.005 0.000 0.935 721 K CB -0.571 31.926 32.500 -0.005 0.000 0.715 721 K HN 0.467 nan 8.250 nan 0.000 0.439 722 A N 1.050 123.831 122.820 -0.065 0.000 1.930 722 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 722 A C 2.036 179.569 177.584 -0.085 0.000 1.175 722 A CA 1.057 53.052 52.037 -0.071 0.000 0.627 722 A CB -0.513 18.430 19.000 -0.095 0.000 0.815 722 A HN 0.275 nan 8.150 nan 0.000 0.443 723 L N -0.536 120.589 121.223 -0.163 0.000 2.046 723 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 723 L C 2.531 179.450 176.870 0.081 0.000 1.077 723 L CA 1.144 55.908 54.840 -0.126 0.000 0.747 723 L CB -0.680 41.143 42.059 -0.395 0.000 0.896 723 L HN 0.246 nan 8.230 nan 0.000 0.432 724 V N -0.415 119.581 119.914 0.136 0.000 2.261 724 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 724 V C 1.922 178.063 176.094 0.079 0.000 1.047 724 V CA 1.891 64.280 62.300 0.148 0.000 1.015 724 V CB -0.591 31.311 31.823 0.133 0.000 0.642 724 V HN 0.395 nan 8.190 nan 0.000 0.446 725 D N -0.675 119.753 120.400 0.048 0.000 2.362 725 D HA -0.130 4.510 4.640 -0.000 0.000 0.215 725 D C 1.532 177.851 176.300 0.033 0.000 0.978 725 D CA 1.105 55.124 54.000 0.032 0.000 0.921 725 D CB 0.082 40.892 40.800 0.017 0.000 0.895 725 D HN 0.367 nan 8.370 nan 0.000 0.494 726 V N -1.768 118.170 119.914 0.042 0.000 3.451 726 V HA 0.308 4.428 4.120 -0.000 0.000 0.288 726 V C 1.161 177.291 176.094 0.060 0.000 1.502 726 V CA 0.850 63.176 62.300 0.043 0.000 1.026 726 V CB 0.734 32.578 31.823 0.035 0.000 0.840 726 V HN 0.280 nan 8.190 nan 0.000 0.437 727 G N 0.658 109.504 108.800 0.076 0.000 2.131 727 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.223 727 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.223 727 G C 0.047 175.015 174.900 0.113 0.000 0.990 727 G CA 0.141 45.291 45.100 0.083 0.000 0.671 727 G HN 0.580 nan 8.290 nan 0.000 0.521 728 V N 1.216 121.223 119.914 0.154 0.000 2.406 728 V HA 0.454 4.574 4.120 -0.000 0.000 0.272 728 V C 0.581 176.871 176.094 0.325 0.000 1.043 728 V CA -0.419 62.010 62.300 0.214 0.000 0.915 728 V CB 1.534 33.476 31.823 0.200 0.000 0.988 728 V HN 0.386 nan 8.190 nan 0.000 0.466 729 D N 4.036 124.585 120.400 0.248 0.000 2.329 729 D HA 0.617 5.257 4.640 -0.000 0.000 0.246 729 D C -0.495 176.025 176.300 0.366 0.000 1.111 729 D CA 0.251 54.358 54.000 0.178 0.000 0.941 729 D CB 0.897 41.747 40.800 0.083 0.000 1.169 729 D HN 0.372 nan 8.370 nan 0.000 0.441 730 F N -1.415 118.614 119.950 0.132 0.000 2.900 730 F HA 0.348 4.875 4.527 -0.000 0.000 0.321 730 F C -1.614 174.248 175.800 0.102 0.000 1.160 730 F CA -1.164 56.941 58.000 0.174 0.000 0.890 730 F CB 0.513 39.656 39.000 0.238 0.000 1.334 730 F HN 0.149 nan 8.300 nan 0.000 0.459 731 Q N 1.465 121.400 119.800 0.225 0.000 2.226 731 Q HA 0.844 5.184 4.340 -0.000 0.000 0.256 731 Q C -0.950 175.115 176.000 0.108 0.000 0.962 731 Q CA -0.945 54.890 55.803 0.053 0.000 0.887 731 Q CB 2.359 31.139 28.738 0.071 0.000 1.282 731 Q HN 1.036 nan 8.270 nan 0.000 0.449 732 A N 1.403 124.234 122.820 0.017 0.000 2.498 732 A HA 0.815 5.135 4.320 -0.000 0.000 0.298 732 A C -1.273 176.269 177.584 -0.070 0.000 1.075 732 A CA -0.650 51.413 52.037 0.043 0.000 0.714 732 A CB 1.951 21.046 19.000 0.158 0.000 1.299 732 A HN 0.681 nan 8.150 nan 0.000 0.407 733 M N 1.820 121.365 119.600 -0.092 0.000 2.206 733 M HA 0.539 5.019 4.480 -0.000 0.000 0.272 733 M C -1.560 174.685 176.300 -0.091 0.000 1.012 733 M CA -0.237 54.889 55.300 -0.289 0.000 0.986 733 M CB 1.099 33.398 32.600 -0.500 0.000 1.740 733 M HN 0.906 nan 8.290 nan 0.000 0.472 734 W N 4.628 125.852 121.300 -0.126 0.000 2.283 734 W HA 0.702 5.362 4.660 -0.000 0.000 0.341 734 W C -1.931 174.422 176.519 -0.277 0.000 1.206 734 W CA -0.612 56.730 57.345 -0.004 0.000 1.294 734 W CB 0.283 29.771 29.460 0.046 0.000 1.154 734 W HN 0.609 nan 8.180 nan 0.000 0.613 735 Y N 2.592 123.045 120.300 0.256 0.000 2.526 735 Y HA 0.248 4.798 4.550 -0.000 0.000 0.328 735 Y C 0.407 176.444 175.900 0.229 0.000 0.995 735 Y CA -1.217 56.943 58.100 0.100 0.000 1.304 735 Y CB 0.886 39.381 38.460 0.058 0.000 1.096 735 Y HN 0.472 nan 8.280 nan 0.000 0.499 736 T N 4.096 118.878 114.554 0.379 0.000 2.777 736 T HA -0.122 4.228 4.350 -0.000 0.000 0.273 736 T C 0.283 175.087 174.700 0.174 0.000 1.016 736 T CA 0.973 63.215 62.100 0.237 0.000 1.156 736 T CB -0.131 68.801 68.868 0.107 0.000 1.019 736 T HN 0.701 nan 8.240 nan 0.000 0.503 737 D N 0.575 121.065 120.400 0.150 0.000 3.012 737 D HA -0.127 4.513 4.640 -0.000 0.000 0.222 737 D C 0.232 176.720 176.300 0.314 0.000 1.167 737 D CA 1.107 55.172 54.000 0.109 0.000 0.854 737 D CB -0.337 40.257 40.800 -0.343 0.000 1.107 737 D HN 0.599 nan 8.370 nan 0.000 0.421 738 E N 0.719 121.100 120.200 0.301 0.000 2.242 738 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 738 E C 0.690 177.490 176.600 0.333 0.000 1.002 738 E CA -0.409 56.172 56.400 0.301 0.000 0.841 738 E CB 1.391 31.248 29.700 0.263 0.000 1.109 738 E HN 0.287 nan 8.360 nan 0.000 0.394 739 D N -0.457 120.143 120.400 0.333 0.000 2.511 739 D HA -0.001 4.639 4.640 -0.000 0.000 0.283 739 D C 1.102 177.636 176.300 0.389 0.000 1.198 739 D CA -0.128 54.090 54.000 0.364 0.000 1.097 739 D CB -0.125 40.912 40.800 0.395 0.000 1.160 739 D HN 0.435 nan 8.370 nan 0.000 0.589 740 H N -1.657 117.607 119.070 0.324 0.000 2.421 740 H HA 0.090 4.646 4.556 -0.000 0.000 0.298 740 H C 1.874 177.475 175.328 0.456 0.000 1.087 740 H CA 2.226 58.490 56.048 0.360 0.000 1.330 740 H CB -0.340 29.616 29.762 0.323 0.000 1.388 740 H HN 0.482 nan 8.280 nan 0.000 0.526 741 G N -0.647 108.320 108.800 0.279 0.000 2.939 741 G HA2 0.053 4.013 3.960 -0.000 0.000 0.210 741 G HA3 0.053 4.013 3.960 -0.000 0.000 0.210 741 G C 0.523 175.581 174.900 0.262 0.000 1.160 741 G CA 0.205 45.367 45.100 0.104 0.000 0.770 741 G HN 0.479 nan 8.290 nan 0.000 0.543 742 I N 0.091 120.864 120.570 0.337 0.000 5.071 742 I HA -0.325 3.845 4.170 -0.000 0.000 0.126 742 I C 1.574 177.803 176.117 0.187 0.000 1.290 742 I CA 0.207 61.658 61.300 0.252 0.000 2.644 742 I CB -0.797 37.348 38.000 0.240 0.000 2.208 742 I HN 0.239 nan 8.210 nan 0.000 0.322 743 A N 1.504 124.402 122.820 0.130 0.000 2.390 743 A HA 0.312 4.632 4.320 -0.000 0.000 0.232 743 A C 1.126 178.740 177.584 0.051 0.000 1.233 743 A CA 0.530 52.598 52.037 0.052 0.000 0.907 743 A CB 0.141 19.143 19.000 0.005 0.000 0.967 743 A HN 0.633 nan 8.150 nan 0.000 0.512 744 S N -0.362 115.390 115.700 0.086 0.000 2.562 744 S HA 0.169 4.638 4.470 -0.000 0.000 0.281 744 S C 1.181 175.829 174.600 0.080 0.000 1.333 744 S CA 0.377 58.624 58.200 0.079 0.000 1.052 744 S CB 1.127 64.382 63.200 0.092 0.000 0.884 744 S HN 0.433 nan 8.310 nan 0.000 0.506 745 S N 2.627 118.365 115.700 0.063 0.000 2.393 745 S HA -0.228 4.242 4.470 -0.000 0.000 0.234 745 S C 2.027 176.677 174.600 0.083 0.000 1.064 745 S CA 2.516 60.756 58.200 0.068 0.000 1.088 745 S CB -1.468 61.756 63.200 0.040 0.000 0.939 745 S HN 1.043 nan 8.310 nan 0.000 0.448 746 T N -0.218 114.376 114.554 0.067 0.000 2.770 746 T HA 0.205 4.555 4.350 -0.000 0.000 0.263 746 T C 2.024 176.769 174.700 0.074 0.000 1.039 746 T CA 1.249 63.386 62.100 0.062 0.000 1.142 746 T CB -0.996 67.897 68.868 0.042 0.000 0.868 746 T HN 0.456 nan 8.240 nan 0.000 0.435 747 A N 1.567 124.413 122.820 0.043 0.000 1.902 747 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 747 A C 2.212 179.765 177.584 -0.051 0.000 1.181 747 A CA 2.103 54.094 52.037 -0.076 0.000 0.623 747 A CB -1.289 17.622 19.000 -0.148 0.000 0.818 747 A HN 0.699 nan 8.150 nan 0.000 0.443 748 H N -0.006 119.053 119.070 -0.019 0.000 2.265 748 H HA -0.200 4.356 4.556 -0.000 0.000 0.293 748 H C 2.132 177.514 175.328 0.090 0.000 1.089 748 H CA 2.508 58.598 56.048 0.069 0.000 1.244 748 H CB -0.401 29.378 29.762 0.028 0.000 1.355 748 H HN 0.592 nan 8.280 nan 0.000 0.485 749 Q N -1.545 118.223 119.800 -0.053 0.000 2.135 749 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 749 Q C 2.230 178.207 176.000 -0.039 0.000 0.981 749 Q CA 1.777 57.507 55.803 -0.123 0.000 0.856 749 Q CB -0.171 28.539 28.738 -0.048 0.000 0.902 749 Q HN 0.655 nan 8.270 nan 0.000 0.425 750 H N 0.148 119.187 119.070 -0.052 0.000 2.363 750 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 750 H C 1.876 177.213 175.328 0.014 0.000 1.074 750 H CA 1.376 57.435 56.048 0.018 0.000 1.354 750 H CB 0.054 29.885 29.762 0.115 0.000 1.397 750 H HN 0.233 nan 8.280 nan 0.000 0.516 751 I N -0.482 120.072 120.570 -0.026 0.000 2.179 751 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 751 I C 1.303 177.214 176.117 -0.344 0.000 1.088 751 I CA 1.421 62.618 61.300 -0.172 0.000 1.357 751 I CB -0.135 37.606 38.000 -0.432 0.000 1.051 751 I HN 0.299 nan 8.210 nan 0.000 0.409 752 Y N 0.814 120.911 120.300 -0.338 0.000 2.373 752 Y HA -0.177 4.373 4.550 -0.000 0.000 0.293 752 Y C 2.673 178.332 175.900 -0.401 0.000 1.129 752 Y CA 1.721 59.499 58.100 -0.537 0.000 1.226 752 Y CB -0.685 37.444 38.460 -0.552 0.000 1.000 752 Y HN 0.154 nan 8.280 nan 0.000 0.549 753 T N -1.574 112.868 114.554 -0.186 0.000 2.708 753 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 753 T C 1.539 176.050 174.700 -0.316 0.000 1.037 753 T CA 1.891 63.828 62.100 -0.273 0.000 1.146 753 T CB -0.463 68.267 68.868 -0.229 0.000 0.865 753 T HN 0.382 nan 8.240 nan 0.000 0.435 754 H N 1.061 119.948 119.070 -0.305 0.000 2.352 754 H HA 0.039 4.595 4.556 -0.000 0.000 0.299 754 H C 2.143 177.407 175.328 -0.106 0.000 1.097 754 H CA 1.647 57.590 56.048 -0.175 0.000 1.311 754 H CB -0.270 29.405 29.762 -0.145 0.000 1.377 754 H HN 0.299 nan 8.280 nan 0.000 0.504 755 M N -1.120 118.376 119.600 -0.175 0.000 2.229 755 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 755 M C 2.417 178.810 176.300 0.154 0.000 1.063 755 M CA 1.175 56.394 55.300 -0.135 0.000 1.114 755 M CB -0.014 32.255 32.600 -0.552 0.000 1.387 755 M HN 0.145 nan 8.290 nan 0.000 0.420 756 S N -0.269 115.522 115.700 0.151 0.000 2.353 756 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 756 S C 1.745 176.410 174.600 0.108 0.000 1.035 756 S CA 1.180 59.544 58.200 0.273 0.000 1.025 756 S CB -0.576 62.740 63.200 0.194 0.000 0.902 756 S HN 0.471 nan 8.310 nan 0.000 0.440 757 H N -0.215 118.892 119.070 0.062 0.000 2.352 757 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 757 H C 1.950 177.257 175.328 -0.035 0.000 1.097 757 H CA 1.243 57.283 56.048 -0.013 0.000 1.311 757 H CB -0.781 28.926 29.762 -0.092 0.000 1.377 757 H HN 0.448 nan 8.280 nan 0.000 0.504 758 F N 0.803 120.720 119.950 -0.055 0.000 2.186 758 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 758 F C 2.391 178.133 175.800 -0.097 0.000 1.090 758 F CA 0.858 58.804 58.000 -0.091 0.000 1.307 758 F CB -0.303 38.625 39.000 -0.119 0.000 1.019 758 F HN -0.022 nan 8.300 nan 0.000 0.489 759 I N -0.177 120.395 120.570 0.003 0.000 2.400 759 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 759 I C 2.312 178.233 176.117 -0.328 0.000 1.109 759 I CA 0.761 61.901 61.300 -0.266 0.000 1.425 759 I CB -0.352 37.553 38.000 -0.159 0.000 1.094 759 I HN -0.023 nan 8.210 nan 0.000 0.425 760 K N 0.753 121.100 120.400 -0.089 0.000 2.032 760 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 760 K C 2.073 178.650 176.600 -0.038 0.000 1.048 760 K CA 2.119 58.400 56.287 -0.009 0.000 0.927 760 K CB -0.276 32.273 32.500 0.081 0.000 0.712 760 K HN 0.469 nan 8.250 nan 0.000 0.441 761 Q N 0.287 120.032 119.800 -0.091 0.000 2.245 761 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 761 Q C 2.230 178.137 176.000 -0.154 0.000 0.955 761 Q CA 1.274 57.017 55.803 -0.100 0.000 0.870 761 Q CB -0.828 27.848 28.738 -0.103 0.000 0.945 761 Q HN 0.278 nan 8.270 nan 0.000 0.461 762 c N 0.199 118.608 118.600 -0.318 0.000 2.413 762 c HA -0.037 4.533 4.570 -0.000 0.000 0.276 762 c C 1.277 175.390 174.090 0.039 0.000 1.248 762 c CA 0.417 56.572 56.329 -0.290 0.000 1.742 762 c CB -1.009 41.184 42.510 -0.529 0.000 2.017 762 c HN 0.612 nan 8.230 nan 0.000 0.481 763 F N 1.637 121.561 119.950 -0.044 0.000 2.663 763 F HA 0.282 4.809 4.527 -0.000 0.000 0.299 763 F C 1.599 177.389 175.800 -0.016 0.000 1.143 763 F CA 0.125 58.117 58.000 -0.012 0.000 1.387 763 F CB -1.557 37.447 39.000 0.006 0.000 1.019 763 F HN 0.178 nan 8.300 nan 0.000 0.523 764 S N 0.970 116.747 115.700 0.129 0.000 3.549 764 S HA -0.202 4.267 4.470 -0.000 0.000 0.366 764 S C 0.054 174.693 174.600 0.065 0.000 1.012 764 S CA 0.214 58.454 58.200 0.066 0.000 1.141 764 S CB -1.611 61.621 63.200 0.053 0.000 0.910 764 S HN 0.274 nan 8.310 nan 0.000 0.471 765 L N 1.279 122.548 121.223 0.076 0.000 2.295 765 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 765 L C -1.643 175.260 176.870 0.054 0.000 1.035 765 L CA -2.010 52.872 54.840 0.071 0.000 0.806 765 L CB 0.905 43.022 42.059 0.098 0.000 1.214 765 L HN 0.026 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.126 63.100 0.043 0.000 0.800 766 P CB 0.000 31.718 31.700 0.031 0.000 0.726