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 2g5p_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 IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.649 174.600 0.081 0.000 1.055 39 S CA 0.000 58.244 58.200 0.073 0.000 1.107 39 S CB 0.000 63.241 63.200 0.068 0.000 0.593 40 R N 0.323 120.865 120.500 0.069 0.000 3.249 40 R HA -0.215 4.115 4.340 -0.017 0.000 0.671 40 R C 0.104 176.451 176.300 0.078 0.000 0.241 40 R CA 1.258 57.401 56.100 0.072 0.000 2.057 40 R CB -1.424 28.919 30.300 0.072 0.000 0.769 40 R HN 1.027 nan 8.270 nan 0.000 0.655 41 K N -0.169 120.282 120.400 0.085 0.000 2.136 41 K HA 0.424 4.734 4.320 -0.017 0.000 0.237 41 K C -0.183 176.473 176.600 0.094 0.000 1.048 41 K CA 0.038 56.383 56.287 0.096 0.000 0.880 41 K CB 0.696 33.269 32.500 0.121 0.000 1.105 41 K HN 0.921 nan 8.250 nan 0.000 0.507 42 T N -3.314 111.307 114.554 0.112 0.000 2.865 42 T HA 0.199 4.539 4.350 -0.017 0.000 0.294 42 T C -1.113 173.699 174.700 0.187 0.000 1.119 42 T CA -0.854 61.316 62.100 0.118 0.000 1.007 42 T CB 0.581 69.509 68.868 0.100 0.000 1.225 42 T HN 0.508 nan 8.240 nan 0.000 0.515 43 Y N 3.098 123.440 120.300 0.070 0.000 2.624 43 Y HA 0.376 4.916 4.550 -0.017 0.000 0.354 43 Y C 1.075 177.124 175.900 0.247 0.000 1.051 43 Y CA -0.230 57.951 58.100 0.134 0.000 1.377 43 Y CB -0.428 38.068 38.460 0.059 0.000 1.168 43 Y HN 0.968 nan 8.280 nan 0.000 0.525 44 T N 2.317 116.866 114.554 -0.008 0.000 2.816 44 T HA 0.104 4.444 4.350 -0.017 0.000 0.282 44 T C 1.092 175.703 174.700 -0.148 0.000 0.993 44 T CA -0.691 61.450 62.100 0.068 0.000 0.994 44 T CB 1.169 70.054 68.868 0.028 0.000 1.025 44 T HN 0.675 nan 8.240 nan 0.000 0.529 45 L N 1.348 122.347 121.223 -0.373 0.000 2.042 45 L HA -0.002 4.328 4.340 -0.017 0.000 0.210 45 L C 2.601 179.311 176.870 -0.266 0.000 1.076 45 L CA 2.160 56.592 54.840 -0.681 0.000 0.749 45 L CB -1.520 39.988 42.059 -0.918 0.000 0.893 45 L HN 0.956 nan 8.230 nan 0.000 0.432 46 T N -0.570 113.865 114.554 -0.198 0.000 2.833 46 T HA -0.145 4.195 4.350 -0.017 0.000 0.269 46 T C 1.462 176.077 174.700 -0.140 0.000 1.054 46 T CA 1.390 63.408 62.100 -0.137 0.000 1.135 46 T CB -0.361 68.453 68.868 -0.091 0.000 0.869 46 T HN 0.419 nan 8.240 nan 0.000 0.466 47 D N 0.058 120.347 120.400 -0.185 0.000 2.178 47 D HA -0.068 4.562 4.640 -0.017 0.000 0.202 47 D C 1.682 177.898 176.300 -0.139 0.000 0.974 47 D CA 0.873 54.757 54.000 -0.194 0.000 0.841 47 D CB -0.203 40.442 40.800 -0.259 0.000 0.953 47 D HN 0.432 nan 8.370 nan 0.000 0.478 48 Y N 1.441 121.559 120.300 -0.304 0.000 2.206 48 Y HA -0.015 4.524 4.550 -0.017 0.000 0.292 48 Y C 2.098 177.997 175.900 -0.002 0.000 1.123 48 Y CA 1.006 59.077 58.100 -0.049 0.000 1.142 48 Y CB -0.472 38.001 38.460 0.021 0.000 1.006 48 Y HN -0.136 nan 8.280 nan 0.000 0.518 49 L N -0.083 120.941 121.223 -0.332 0.000 2.156 49 L HA -0.117 4.213 4.340 -0.017 0.000 0.208 49 L C 1.853 178.608 176.870 -0.190 0.000 1.095 49 L CA 1.125 55.758 54.840 -0.346 0.000 0.770 49 L CB -0.399 41.533 42.059 -0.212 0.000 0.914 49 L HN 0.020 nan 8.230 nan 0.000 0.439 50 K N -0.169 120.148 120.400 -0.138 0.000 2.374 50 K HA 0.067 4.377 4.320 -0.017 0.000 0.196 50 K C 0.168 176.723 176.600 -0.075 0.000 1.023 50 K CA -0.077 56.155 56.287 -0.092 0.000 1.103 50 K CB -0.244 32.207 32.500 -0.082 0.000 0.848 50 K HN 0.270 nan 8.250 nan 0.000 0.528 51 N N 2.002 120.666 118.700 -0.059 0.000 2.714 51 N HA -0.206 4.523 4.740 -0.017 0.000 0.253 51 N C 0.550 176.052 175.510 -0.013 0.000 1.024 51 N CA 0.579 53.636 53.050 0.012 0.000 0.726 51 N CB -0.380 38.107 38.487 -0.001 0.000 0.908 51 N HN 0.355 nan 8.380 nan 0.000 0.542 52 T N -2.510 111.995 114.554 -0.081 0.000 2.951 52 T HA -0.096 4.244 4.350 -0.017 0.000 0.268 52 T C 0.559 175.032 174.700 -0.379 0.000 1.073 52 T CA 1.034 62.970 62.100 -0.273 0.000 1.134 52 T CB -0.123 68.479 68.868 -0.443 0.000 0.884 52 T HN 0.346 nan 8.240 nan 0.000 0.479 53 Y N 1.635 122.036 120.300 0.170 0.000 2.478 53 Y HA 0.613 5.152 4.550 -0.017 0.000 0.329 53 Y C 0.469 176.478 175.900 0.181 0.000 0.967 53 Y CA -1.469 56.747 58.100 0.193 0.000 1.255 53 Y CB 0.769 39.401 38.460 0.286 0.000 1.103 53 Y HN 0.026 nan 8.280 nan 0.000 0.497 54 R N 2.656 123.289 120.500 0.221 0.000 2.486 54 R HA 0.628 4.958 4.340 -0.017 0.000 0.286 54 R C -1.145 175.263 176.300 0.179 0.000 0.999 54 R CA -0.685 55.519 56.100 0.174 0.000 0.993 54 R CB 0.897 31.258 30.300 0.101 0.000 1.084 54 R HN 0.661 nan 8.270 nan 0.000 0.487 55 L N 4.067 125.393 121.223 0.172 0.000 2.276 55 L HA 0.349 4.679 4.340 -0.017 0.000 0.286 55 L C 0.206 177.156 176.870 0.134 0.000 1.061 55 L CA -0.376 54.567 54.840 0.172 0.000 0.807 55 L CB 1.283 43.463 42.059 0.201 0.000 1.177 55 L HN 0.446 nan 8.230 nan 0.000 0.429 56 K N 4.210 124.683 120.400 0.123 0.000 2.218 56 K HA 0.515 4.825 4.320 -0.017 0.000 0.276 56 K C -0.540 176.105 176.600 0.074 0.000 1.022 56 K CA -0.365 55.973 56.287 0.084 0.000 0.946 56 K CB 1.349 33.894 32.500 0.076 0.000 1.000 56 K HN 0.443 nan 8.250 nan 0.000 0.468 57 L N 1.473 122.680 121.223 -0.026 0.000 2.299 57 L HA 0.447 4.776 4.340 -0.017 0.000 0.268 57 L C -0.793 175.862 176.870 -0.359 0.000 1.012 57 L CA -1.006 53.712 54.840 -0.204 0.000 0.816 57 L CB 0.777 42.795 42.059 -0.067 0.000 1.355 57 L HN 0.539 nan 8.230 nan 0.000 0.457 58 Y N 0.132 119.990 120.300 -0.736 0.000 2.542 58 Y HA 0.279 4.819 4.550 -0.017 0.000 0.316 58 Y C -0.760 175.001 175.900 -0.231 0.000 1.107 58 Y CA -0.656 57.181 58.100 -0.439 0.000 1.233 58 Y CB 0.984 39.013 38.460 -0.719 0.000 1.111 58 Y HN 0.378 nan 8.280 nan 0.000 0.613 59 S N 5.152 120.816 115.700 -0.060 0.000 2.422 59 S HA 0.499 4.959 4.470 -0.017 0.000 0.283 59 S C -0.442 174.154 174.600 -0.007 0.000 1.163 59 S CA -0.440 57.752 58.200 -0.014 0.000 1.054 59 S CB -0.231 62.946 63.200 -0.038 0.000 0.967 59 S HN 0.523 nan 8.310 nan 0.000 0.499 60 L N 1.202 122.404 121.223 -0.036 0.000 2.304 60 L HA 0.808 5.138 4.340 -0.017 0.000 0.268 60 L C -0.128 176.659 176.870 -0.137 0.000 1.010 60 L CA -0.862 53.898 54.840 -0.133 0.000 0.813 60 L CB 0.812 42.501 42.059 -0.616 0.000 1.315 60 L HN 0.315 nan 8.230 nan 0.000 0.445 61 R N 0.726 121.167 120.500 -0.099 0.000 2.500 61 R HA 0.290 4.620 4.340 -0.017 0.000 0.299 61 R C -1.967 174.363 176.300 0.050 0.000 1.038 61 R CA -0.440 55.660 56.100 0.000 0.000 0.903 61 R CB 1.003 31.345 30.300 0.068 0.000 1.177 61 R HN 0.851 nan 8.270 nan 0.000 0.455 62 W N 5.576 126.992 121.300 0.194 0.000 2.308 62 W HA 0.113 4.762 4.660 -0.017 0.000 0.324 62 W C 1.817 178.434 176.519 0.164 0.000 1.387 62 W CA -0.335 57.141 57.345 0.218 0.000 1.250 62 W CB 0.458 30.039 29.460 0.202 0.000 1.257 62 W HN 0.580 nan 8.180 nan 0.000 0.554 63 I N 0.417 121.210 120.570 0.371 0.000 4.057 63 I HA 0.276 4.435 4.170 -0.017 0.000 0.334 63 I C 0.695 176.956 176.117 0.240 0.000 1.308 63 I CA 0.012 61.445 61.300 0.221 0.000 1.125 63 I CB -0.134 37.926 38.000 0.099 0.000 1.034 63 I HN 0.280 nan 8.210 nan 0.000 0.401 64 S N -0.415 115.491 115.700 0.343 0.000 2.755 64 S HA 0.254 4.713 4.470 -0.017 0.000 0.286 64 S C -0.209 174.596 174.600 0.342 0.000 1.207 64 S CA -0.190 58.197 58.200 0.312 0.000 0.892 64 S CB 1.355 64.739 63.200 0.307 0.000 1.240 64 S HN 0.082 nan 8.310 nan 0.000 0.525 65 D N -0.903 119.685 120.400 0.312 0.000 2.340 65 D HA 0.258 4.888 4.640 -0.017 0.000 0.220 65 D C 0.734 177.007 176.300 -0.045 0.000 1.039 65 D CA 0.806 54.830 54.000 0.039 0.000 0.866 65 D CB -0.000 40.733 40.800 -0.110 0.000 0.913 65 D HN 0.591 nan 8.370 nan 0.000 0.523 66 H N -1.622 117.656 119.070 0.346 0.000 3.643 66 H HA 0.435 4.980 4.556 -0.017 0.000 0.256 66 H C -0.157 175.345 175.328 0.289 0.000 1.107 66 H CA -0.207 56.056 56.048 0.358 0.000 1.175 66 H CB 0.613 30.517 29.762 0.237 0.000 1.519 66 H HN 0.008 nan 8.280 nan 0.000 0.565 67 E N 0.535 121.012 120.200 0.463 0.000 2.312 67 E HA 0.439 4.779 4.350 -0.017 0.000 0.267 67 E C -1.444 175.357 176.600 0.335 0.000 0.894 67 E CA -1.307 55.250 56.400 0.261 0.000 0.773 67 E CB 2.863 32.652 29.700 0.148 0.000 1.241 67 E HN 0.196 nan 8.360 nan 0.000 0.432 68 Y N -0.853 119.483 120.300 0.060 0.000 2.562 68 Y HA 0.598 5.138 4.550 -0.017 0.000 0.345 68 Y C -1.610 174.279 175.900 -0.018 0.000 1.045 68 Y CA -1.371 56.651 58.100 -0.131 0.000 1.028 68 Y CB 0.743 38.755 38.460 -0.746 0.000 1.297 68 Y HN 0.353 nan 8.280 nan 0.000 0.463 69 L N 3.313 124.659 121.223 0.205 0.000 2.357 69 L HA 0.401 4.731 4.340 -0.017 0.000 0.273 69 L C -1.255 175.807 176.870 0.320 0.000 1.080 69 L CA -0.974 53.954 54.840 0.148 0.000 0.803 69 L CB 1.252 43.277 42.059 -0.058 0.000 1.174 69 L HN 0.777 nan 8.230 nan 0.000 0.443 70 Y N 3.217 123.616 120.300 0.165 0.000 2.327 70 Y HA 0.341 4.880 4.550 -0.017 0.000 0.325 70 Y C -0.239 175.658 175.900 -0.005 0.000 0.999 70 Y CA -1.133 57.011 58.100 0.074 0.000 1.195 70 Y CB 0.832 39.405 38.460 0.188 0.000 1.132 70 Y HN 0.463 nan 8.280 nan 0.000 0.455 71 K N 3.994 124.094 120.400 -0.499 0.000 2.156 71 K HA 0.360 4.670 4.320 -0.017 0.000 0.242 71 K C -0.720 175.499 176.600 -0.634 0.000 1.033 71 K CA -0.388 55.639 56.287 -0.433 0.000 0.878 71 K CB 0.607 32.936 32.500 -0.284 0.000 1.057 71 K HN 0.700 nan 8.250 nan 0.000 0.505 72 Q N -0.229 119.368 119.800 -0.339 0.000 2.578 72 Q HA 0.002 4.331 4.340 -0.017 0.000 0.284 72 Q C -0.199 175.722 176.000 -0.131 0.000 0.960 72 Q CA -0.423 55.227 55.803 -0.254 0.000 0.809 72 Q CB 1.805 30.446 28.738 -0.162 0.000 1.462 72 Q HN 0.714 nan 8.270 nan 0.000 0.392 73 E N 0.684 120.830 120.200 -0.090 0.000 2.333 73 E HA -0.251 4.089 4.350 -0.017 0.000 0.200 73 E C 0.443 177.034 176.600 -0.016 0.000 1.010 73 E CA 1.599 57.973 56.400 -0.043 0.000 0.841 73 E CB 0.322 30.002 29.700 -0.033 0.000 0.757 73 E HN 0.424 nan 8.360 nan 0.000 0.508 74 N N -0.294 118.388 118.700 -0.029 0.000 2.765 74 N HA 0.001 4.731 4.740 -0.017 0.000 0.230 74 N C 0.067 175.556 175.510 -0.036 0.000 1.022 74 N CA 0.471 53.512 53.050 -0.016 0.000 1.106 74 N CB 0.229 38.705 38.487 -0.019 0.000 1.527 74 N HN 0.143 nan 8.380 nan 0.000 0.507 75 N N 0.584 119.246 118.700 -0.062 0.000 2.653 75 N HA 0.410 5.140 4.740 -0.017 0.000 0.294 75 N C -1.064 174.382 175.510 -0.107 0.000 1.305 75 N CA -0.493 52.503 53.050 -0.090 0.000 0.827 75 N CB 1.218 39.663 38.487 -0.069 0.000 1.415 75 N HN -0.022 nan 8.380 nan 0.000 0.546 76 I N 0.269 120.779 120.570 -0.100 0.000 2.378 76 I HA 0.358 4.518 4.170 -0.017 0.000 0.291 76 I C -0.448 175.681 176.117 0.020 0.000 0.992 76 I CA -0.766 60.491 61.300 -0.072 0.000 1.154 76 I CB 1.256 39.188 38.000 -0.115 0.000 1.315 76 I HN 0.239 nan 8.210 nan 0.000 0.448 77 L N 6.217 127.471 121.223 0.052 0.000 2.322 77 L HA 0.647 4.977 4.340 -0.017 0.000 0.269 77 L C -0.465 176.431 176.870 0.043 0.000 1.012 77 L CA -1.070 53.788 54.840 0.029 0.000 0.815 77 L CB 2.250 44.298 42.059 -0.018 0.000 1.295 77 L HN 0.298 nan 8.230 nan 0.000 0.438 78 V N 1.503 121.374 119.914 -0.072 0.000 2.459 78 V HA 0.526 4.636 4.120 -0.017 0.000 0.295 78 V C -1.049 174.864 176.094 -0.301 0.000 1.029 78 V CA -0.230 62.030 62.300 -0.067 0.000 0.874 78 V CB 1.511 33.368 31.823 0.057 0.000 0.985 78 V HN 0.459 nan 8.190 nan 0.000 0.438 79 F N 4.948 124.668 119.950 -0.383 0.000 2.492 79 F HA 0.521 5.038 4.527 -0.017 0.000 0.327 79 F C 0.447 175.952 175.800 -0.492 0.000 1.079 79 F CA -0.532 57.132 58.000 -0.560 0.000 0.967 79 F CB 1.773 40.087 39.000 -1.142 0.000 1.169 79 F HN 0.493 nan 8.300 nan 0.000 0.472 80 N N 1.770 120.405 118.700 -0.109 0.000 2.457 80 N HA 0.286 5.016 4.740 -0.017 0.000 0.250 80 N C 0.405 175.850 175.510 -0.109 0.000 0.982 80 N CA 0.080 53.095 53.050 -0.058 0.000 0.941 80 N CB 1.793 40.301 38.487 0.036 0.000 1.120 80 N HN 0.799 nan 8.380 nan 0.000 0.505 81 A N 3.775 126.484 122.820 -0.184 0.000 1.883 81 A HA -0.210 4.100 4.320 -0.017 0.000 0.217 81 A C 1.892 179.198 177.584 -0.464 0.000 1.186 81 A CA 1.763 53.589 52.037 -0.352 0.000 0.624 81 A CB -0.518 18.058 19.000 -0.706 0.000 0.822 81 A HN 0.795 nan 8.150 nan 0.000 0.444 82 E N -1.107 118.808 120.200 -0.475 0.000 2.038 82 E HA -0.203 4.136 4.350 -0.017 0.000 0.195 82 E C 1.499 177.854 176.600 -0.410 0.000 1.000 82 E CA 2.076 58.211 56.400 -0.441 0.000 0.803 82 E CB -0.349 28.988 29.700 -0.606 0.000 0.750 82 E HN 0.724 nan 8.360 nan 0.000 0.448 83 Y N -2.264 118.030 120.300 -0.010 0.000 2.535 83 Y HA 0.380 4.919 4.550 -0.017 0.000 0.266 83 Y C 1.773 177.673 175.900 -0.001 0.000 1.088 83 Y CA 0.399 58.498 58.100 -0.001 0.000 1.285 83 Y CB 0.703 39.166 38.460 0.005 0.000 1.166 83 Y HN 0.211 nan 8.280 nan 0.000 0.525 84 G N 0.560 109.440 108.800 0.134 0.000 2.194 84 G HA2 -0.295 3.655 3.960 -0.017 0.000 0.236 84 G HA3 -0.295 3.655 3.960 -0.017 0.000 0.236 84 G C 0.084 175.100 174.900 0.194 0.000 0.987 84 G CA 0.054 45.246 45.100 0.155 0.000 0.635 84 G HN 0.440 nan 8.290 nan 0.000 0.520 85 N N 0.979 119.747 118.700 0.114 0.000 2.453 85 N HA 0.514 5.244 4.740 -0.017 0.000 0.253 85 N C 0.207 175.630 175.510 -0.146 0.000 1.252 85 N CA 0.856 53.910 53.050 0.007 0.000 0.917 85 N CB 1.399 39.888 38.487 0.004 0.000 1.117 85 N HN 0.983 nan 8.380 nan 0.000 0.442 86 S N -0.309 115.211 115.700 -0.299 0.000 2.740 86 S HA 0.815 5.275 4.470 -0.017 0.000 0.300 86 S C -0.916 173.492 174.600 -0.320 0.000 1.147 86 S CA -0.808 57.063 58.200 -0.548 0.000 0.871 86 S CB 1.460 63.926 63.200 -1.224 0.000 1.173 86 S HN 0.670 nan 8.310 nan 0.000 0.510 87 S N -0.144 115.375 115.700 -0.303 0.000 2.537 87 S HA 0.465 4.925 4.470 -0.017 0.000 0.271 87 S C -1.076 173.445 174.600 -0.132 0.000 1.148 87 S CA -0.789 57.308 58.200 -0.172 0.000 0.868 87 S CB 1.475 64.604 63.200 -0.118 0.000 1.115 87 S HN 0.787 nan 8.310 nan 0.000 0.461 88 V N 3.207 123.062 119.914 -0.098 0.000 2.585 88 V HA 0.133 4.243 4.120 -0.017 0.000 0.296 88 V C 0.718 176.797 176.094 -0.025 0.000 1.035 88 V CA 0.363 62.628 62.300 -0.058 0.000 1.084 88 V CB 0.047 31.826 31.823 -0.072 0.000 0.953 88 V HN 0.954 nan 8.190 nan 0.000 0.483 89 F N 5.852 125.737 119.950 -0.107 0.000 2.262 89 F HA 0.263 4.780 4.527 -0.017 0.000 0.292 89 F C 0.547 176.292 175.800 -0.091 0.000 1.081 89 F CA 0.607 58.553 58.000 -0.090 0.000 1.355 89 F CB 0.553 39.509 39.000 -0.073 0.000 1.069 89 F HN 0.364 nan 8.300 nan 0.000 0.506 90 L N 0.066 121.312 121.223 0.039 0.000 2.543 90 L HA 0.472 4.802 4.340 -0.017 0.000 0.265 90 L C -0.961 175.846 176.870 -0.105 0.000 0.945 90 L CA -1.006 53.787 54.840 -0.077 0.000 0.869 90 L CB 0.588 42.639 42.059 -0.013 0.000 1.294 90 L HN -0.175 nan 8.230 nan 0.000 0.405 91 E N 1.698 121.809 120.200 -0.148 0.000 2.418 91 E HA 0.130 4.470 4.350 -0.017 0.000 0.261 91 E C 1.333 177.849 176.600 -0.140 0.000 1.070 91 E CA 0.812 57.133 56.400 -0.132 0.000 0.931 91 E CB 0.789 30.410 29.700 -0.133 0.000 0.954 91 E HN 0.805 nan 8.360 nan 0.000 0.439 92 N N 0.435 119.079 118.700 -0.092 0.000 2.573 92 N HA -0.156 4.574 4.740 -0.017 0.000 0.187 92 N C 0.756 176.235 175.510 -0.052 0.000 1.107 92 N CA 0.750 53.766 53.050 -0.057 0.000 0.918 92 N CB 0.086 38.553 38.487 -0.034 0.000 0.966 92 N HN 0.292 nan 8.380 nan 0.000 0.448 93 S N -0.784 114.856 115.700 -0.099 0.000 2.502 93 S HA 0.041 4.501 4.470 -0.017 0.000 0.215 93 S C 1.662 176.150 174.600 -0.186 0.000 1.009 93 S CA -0.007 58.134 58.200 -0.098 0.000 0.908 93 S CB -0.188 62.962 63.200 -0.083 0.000 0.801 93 S HN 0.137 nan 8.310 nan 0.000 0.505 94 T N 1.876 116.217 114.554 -0.355 0.000 2.848 94 T HA -0.051 4.289 4.350 -0.017 0.000 0.269 94 T C -0.054 174.117 174.700 -0.881 0.000 1.081 94 T CA 1.317 62.998 62.100 -0.699 0.000 1.125 94 T CB -0.492 67.716 68.868 -1.101 0.000 0.848 94 T HN 0.562 nan 8.240 nan 0.000 0.503 95 F N 0.565 120.441 119.950 -0.123 0.000 2.818 95 F HA 0.365 4.882 4.527 -0.017 0.000 0.369 95 F C 0.903 176.710 175.800 0.012 0.000 1.327 95 F CA -1.481 56.472 58.000 -0.079 0.000 1.211 95 F CB 0.264 39.159 39.000 -0.175 0.000 1.036 95 F HN -0.051 nan 8.300 nan 0.000 0.510 96 D N 0.932 121.394 120.400 0.103 0.000 2.117 96 D HA -0.133 4.496 4.640 -0.017 0.000 0.198 96 D C 1.225 177.583 176.300 0.096 0.000 0.982 96 D CA 1.313 55.363 54.000 0.082 0.000 0.828 96 D CB 0.093 40.908 40.800 0.026 0.000 0.967 96 D HN 0.554 nan 8.370 nan 0.000 0.464 97 E N 0.016 120.276 120.200 0.101 0.000 2.598 97 E HA 0.062 4.402 4.350 -0.017 0.000 0.233 97 E C 0.607 177.277 176.600 0.116 0.000 1.173 97 E CA -0.415 56.027 56.400 0.070 0.000 1.473 97 E CB -0.248 29.471 29.700 0.032 0.000 1.398 97 E HN 0.032 nan 8.360 nan 0.000 0.431 98 F N 1.745 121.697 119.950 0.003 0.000 2.293 98 F HA 0.192 4.708 4.527 -0.017 0.000 0.297 98 F C 1.676 177.378 175.800 -0.164 0.000 1.089 98 F CA 1.730 59.721 58.000 -0.015 0.000 1.377 98 F CB 0.232 39.235 39.000 0.005 0.000 1.051 98 F HN 0.404 nan 8.300 nan 0.000 0.511 99 G N -0.971 107.664 108.800 -0.276 0.000 2.232 99 G HA2 -0.207 3.743 3.960 -0.017 0.000 0.226 99 G HA3 -0.207 3.743 3.960 -0.017 0.000 0.226 99 G C 0.246 174.697 174.900 -0.749 0.000 0.996 99 G CA 0.238 44.996 45.100 -0.569 0.000 0.626 99 G HN 0.543 nan 8.290 nan 0.000 0.509 100 H N -0.244 118.671 119.070 -0.259 0.000 2.834 100 H HA 0.669 5.214 4.556 -0.017 0.000 0.369 100 H C -0.587 174.764 175.328 0.037 0.000 1.174 100 H CA 0.027 55.986 56.048 -0.148 0.000 1.165 100 H CB 1.601 31.120 29.762 -0.404 0.000 1.820 100 H HN 0.147 nan 8.280 nan 0.000 0.558 101 S N 1.732 117.537 115.700 0.175 0.000 2.416 101 S HA 0.287 4.747 4.470 -0.017 0.000 0.287 101 S C 0.122 174.768 174.600 0.075 0.000 1.139 101 S CA -0.709 57.551 58.200 0.099 0.000 1.058 101 S CB -0.932 62.308 63.200 0.066 0.000 0.967 101 S HN 0.336 nan 8.310 nan 0.000 0.495 102 I N 5.933 126.491 120.570 -0.020 0.000 2.416 102 I HA 0.172 4.332 4.170 -0.017 0.000 0.288 102 I C 1.418 177.392 176.117 -0.238 0.000 1.051 102 I CA -0.375 60.809 61.300 -0.192 0.000 1.375 102 I CB 0.697 38.395 38.000 -0.503 0.000 1.407 102 I HN 0.730 nan 8.210 nan 0.000 0.516 103 N N 3.892 122.449 118.700 -0.238 0.000 2.236 103 N HA 0.093 4.823 4.740 -0.017 0.000 0.196 103 N C -0.445 174.897 175.510 -0.280 0.000 1.114 103 N CA 0.008 52.910 53.050 -0.246 0.000 0.859 103 N CB 0.728 39.050 38.487 -0.275 0.000 0.982 103 N HN 0.634 nan 8.380 nan 0.000 0.493 104 D N -1.078 119.097 120.400 -0.374 0.000 2.722 104 D HA 0.343 4.973 4.640 -0.017 0.000 0.231 104 D C -1.892 174.194 176.300 -0.357 0.000 1.218 104 D CA -0.430 53.412 54.000 -0.264 0.000 0.753 104 D CB 0.909 41.646 40.800 -0.106 0.000 1.471 104 D HN -0.043 nan 8.370 nan 0.000 0.455 105 Y N 0.130 120.438 120.300 0.014 0.000 2.562 105 Y HA 0.721 5.261 4.550 -0.017 0.000 0.343 105 Y C -0.031 175.938 175.900 0.116 0.000 1.025 105 Y CA -0.941 57.188 58.100 0.048 0.000 1.082 105 Y CB 2.566 41.042 38.460 0.027 0.000 1.264 105 Y HN 0.186 nan 8.280 nan 0.000 0.478 106 S N 1.983 117.904 115.700 0.369 0.000 2.680 106 S HA 0.517 4.977 4.470 -0.017 0.000 0.262 106 S C -1.375 173.519 174.600 0.491 0.000 1.138 106 S CA -0.477 57.953 58.200 0.382 0.000 1.072 106 S CB -0.068 63.351 63.200 0.365 0.000 1.097 106 S HN 0.569 nan 8.310 nan 0.000 0.468 107 I N 4.651 125.370 120.570 0.248 0.000 2.371 107 I HA 0.234 4.394 4.170 -0.017 0.000 0.290 107 I C 1.043 177.020 176.117 -0.234 0.000 1.028 107 I CA -0.394 60.951 61.300 0.075 0.000 1.345 107 I CB 1.473 39.423 38.000 -0.083 0.000 1.407 107 I HN 0.745 nan 8.210 nan 0.000 0.501 108 S N 6.350 121.600 115.700 -0.750 0.000 2.573 108 S HA 0.117 4.577 4.470 -0.017 0.000 0.277 108 S C -1.772 172.515 174.600 -0.522 0.000 1.346 108 S CA -0.935 56.409 58.200 -1.428 0.000 1.034 108 S CB 0.590 62.707 63.200 -1.806 0.000 0.879 108 S HN 0.432 nan 8.310 nan 0.000 0.528 109 P HA -0.092 nan 4.420 nan 0.000 0.220 109 P C 0.592 177.843 177.300 -0.082 0.000 1.144 109 P CA 1.098 64.118 63.100 -0.134 0.000 0.800 109 P CB 0.015 31.661 31.700 -0.090 0.000 0.772 110 D N -1.935 118.405 120.400 -0.100 0.000 2.277 110 D HA 0.012 4.642 4.640 -0.017 0.000 0.208 110 D C 1.839 178.134 176.300 -0.008 0.000 0.962 110 D CA 1.433 55.424 54.000 -0.016 0.000 0.865 110 D CB -0.380 40.459 40.800 0.066 0.000 0.939 110 D HN 0.137 nan 8.370 nan 0.000 0.510 111 G N 0.977 109.767 108.800 -0.017 0.000 2.179 111 G HA2 -0.378 3.572 3.960 -0.017 0.000 0.260 111 G HA3 -0.378 3.572 3.960 -0.017 0.000 0.260 111 G C 1.048 175.983 174.900 0.057 0.000 0.977 111 G CA 0.582 45.769 45.100 0.145 0.000 0.641 111 G HN 0.380 nan 8.290 nan 0.000 0.533 112 Q N -1.330 118.394 119.800 -0.127 0.000 2.311 112 Q HA 0.354 4.684 4.340 -0.017 0.000 0.203 112 Q C 0.244 175.770 176.000 -0.791 0.000 0.954 112 Q CA 0.692 56.227 55.803 -0.447 0.000 0.885 112 Q CB 0.218 28.654 28.738 -0.504 0.000 0.963 112 Q HN 0.578 nan 8.270 nan 0.000 0.471 113 F N -0.831 119.065 119.950 -0.090 0.000 2.629 113 F HA 0.518 5.035 4.527 -0.017 0.000 0.316 113 F C -0.607 175.287 175.800 0.157 0.000 1.081 113 F CA -1.083 56.935 58.000 0.030 0.000 0.954 113 F CB 1.582 40.600 39.000 0.030 0.000 1.337 113 F HN -0.271 nan 8.300 nan 0.000 0.474 114 I N 2.702 123.628 120.570 0.592 0.000 2.499 114 I HA 0.330 4.490 4.170 -0.017 0.000 0.288 114 I C -1.507 174.963 176.117 0.588 0.000 1.048 114 I CA -0.877 60.755 61.300 0.553 0.000 1.062 114 I CB 2.121 40.424 38.000 0.505 0.000 1.238 114 I HN 0.268 nan 8.210 nan 0.000 0.426 115 L N 7.434 129.007 121.223 0.582 0.000 2.265 115 L HA 0.484 4.814 4.340 -0.017 0.000 0.288 115 L C -0.778 176.237 176.870 0.242 0.000 1.058 115 L CA -0.009 55.049 54.840 0.364 0.000 0.809 115 L CB 0.787 42.972 42.059 0.210 0.000 1.179 115 L HN 0.417 nan 8.230 nan 0.000 0.429 116 L N 5.058 126.360 121.223 0.132 0.000 2.287 116 L HA 0.503 4.833 4.340 -0.017 0.000 0.287 116 L C -0.081 176.785 176.870 -0.007 0.000 1.022 116 L CA -0.437 54.344 54.840 -0.099 0.000 0.814 116 L CB 1.461 43.272 42.059 -0.414 0.000 1.217 116 L HN 0.604 nan 8.230 nan 0.000 0.420 117 E N 3.954 124.062 120.200 -0.153 0.000 2.156 117 E HA 0.473 4.813 4.350 -0.017 0.000 0.279 117 E C -1.590 174.908 176.600 -0.171 0.000 0.965 117 E CA -0.499 55.687 56.400 -0.357 0.000 0.789 117 E CB 1.197 30.747 29.700 -0.252 0.000 1.098 117 E HN 0.455 nan 8.360 nan 0.000 0.397 118 Y N 1.467 121.538 120.300 -0.382 0.000 2.728 118 Y HA 0.431 4.971 4.550 -0.017 0.000 0.330 118 Y C -0.273 175.512 175.900 -0.192 0.000 1.234 118 Y CA -1.638 56.335 58.100 -0.212 0.000 1.070 118 Y CB 0.405 38.806 38.460 -0.099 0.000 1.300 118 Y HN 0.500 nan 8.280 nan 0.000 0.467 119 N N -0.130 118.539 118.700 -0.052 0.000 2.727 119 N HA -0.295 4.435 4.740 -0.017 0.000 0.249 119 N C -1.132 174.319 175.510 -0.098 0.000 1.048 119 N CA 1.012 53.992 53.050 -0.118 0.000 0.714 119 N CB -1.435 36.872 38.487 -0.301 0.000 0.959 119 N HN 0.841 nan 8.380 nan 0.000 0.544 120 Y N 0.106 120.316 120.300 -0.151 0.000 2.569 120 Y HA 0.312 4.852 4.550 -0.017 0.000 0.332 120 Y C -0.047 175.806 175.900 -0.079 0.000 1.120 120 Y CA -0.135 57.881 58.100 -0.140 0.000 1.416 120 Y CB 0.692 39.026 38.460 -0.210 0.000 1.210 120 Y HN 0.001 nan 8.280 nan 0.000 0.528 121 V N 8.316 127.892 119.914 -0.563 0.000 2.380 121 V HA 0.190 4.300 4.120 -0.017 0.000 0.286 121 V C -0.208 175.521 176.094 -0.608 0.000 1.015 121 V CA -1.322 60.693 62.300 -0.475 0.000 0.834 121 V CB 1.110 32.798 31.823 -0.225 0.000 1.009 121 V HN 0.741 nan 8.190 nan 0.000 0.428 122 K N 3.983 123.971 120.400 -0.686 0.000 2.382 122 K HA 0.196 4.505 4.320 -0.017 0.000 0.275 122 K C 0.394 176.840 176.600 -0.256 0.000 1.009 122 K CA 0.239 56.291 56.287 -0.393 0.000 0.970 122 K CB 1.169 33.599 32.500 -0.116 0.000 0.934 122 K HN 0.806 nan 8.250 nan 0.000 0.479 123 Q N 3.296 122.937 119.800 -0.266 0.000 2.729 123 Q HA 0.177 4.507 4.340 -0.017 0.000 0.228 123 Q C -0.042 175.776 176.000 -0.304 0.000 1.021 123 Q CA -0.454 55.014 55.803 -0.559 0.000 0.561 123 Q CB 0.093 28.304 28.738 -0.880 0.000 3.921 123 Q HN 0.734 nan 8.270 nan 0.000 0.430 124 W N 0.444 121.748 121.300 0.006 0.000 1.833 124 W HA 0.273 4.922 4.660 -0.018 0.000 0.593 124 W C 1.802 178.313 176.519 -0.013 0.000 1.936 124 W CA -0.427 56.948 57.345 0.049 0.000 2.192 124 W CB -0.070 29.381 29.460 -0.015 0.000 2.633 124 W HN 0.388 nan 8.180 nan 0.000 0.783 125 R N -0.662 119.942 120.500 0.173 0.000 2.148 125 R HA -0.130 4.200 4.340 -0.017 0.000 0.227 125 R C 1.508 177.633 176.300 -0.291 0.000 1.103 125 R CA 1.824 57.844 56.100 -0.133 0.000 0.983 125 R CB -0.364 29.725 30.300 -0.351 0.000 0.874 125 R HN 0.477 nan 8.270 nan 0.000 0.451 126 H N -1.169 117.981 119.070 0.133 0.000 2.926 126 H HA 0.201 4.747 4.556 -0.016 0.000 0.249 126 H C 0.412 175.832 175.328 0.153 0.000 0.963 126 H CA 0.529 56.670 56.048 0.155 0.000 1.158 126 H CB 0.162 29.982 29.762 0.097 0.000 1.445 126 H HN 0.209 nan 8.280 nan 0.000 0.452 127 S N 1.385 117.088 115.700 0.006 0.000 2.585 127 S HA 0.367 4.827 4.470 -0.017 0.000 0.273 127 S C -0.285 174.208 174.600 -0.177 0.000 1.339 127 S CA -0.381 57.531 58.200 -0.480 0.000 1.028 127 S CB 0.664 63.064 63.200 -1.334 0.000 0.906 127 S HN 0.443 nan 8.310 nan 0.000 0.528 128 Y N -2.397 117.788 120.300 -0.193 0.000 2.717 128 Y HA 0.594 5.134 4.550 -0.017 0.000 0.345 128 Y C -0.859 175.054 175.900 0.022 0.000 1.187 128 Y CA -0.848 57.151 58.100 -0.168 0.000 1.128 128 Y CB 0.339 38.681 38.460 -0.195 0.000 1.360 128 Y HN 0.915 nan 8.280 nan 0.000 0.467 129 T N 0.119 114.757 114.554 0.139 0.000 2.942 129 T HA 1.039 5.379 4.350 -0.017 0.000 0.289 129 T C -0.341 174.454 174.700 0.159 0.000 1.044 129 T CA -0.111 62.074 62.100 0.142 0.000 1.023 129 T CB 1.842 70.737 68.868 0.045 0.000 1.123 129 T HN 1.948 nan 8.240 nan 0.000 0.512 130 A N 0.786 123.661 122.820 0.092 0.000 2.467 130 A HA 0.789 5.099 4.320 -0.017 0.000 0.301 130 A C -0.762 176.611 177.584 -0.352 0.000 1.126 130 A CA -0.981 50.969 52.037 -0.145 0.000 0.632 130 A CB 0.866 19.772 19.000 -0.157 0.000 1.331 130 A HN 0.874 nan 8.150 nan 0.000 0.482 131 S N -0.964 114.272 115.700 -0.773 0.000 2.578 131 S HA 0.836 5.296 4.470 -0.017 0.000 0.301 131 S C -1.638 172.316 174.600 -1.077 0.000 1.091 131 S CA -0.123 57.533 58.200 -0.906 0.000 1.032 131 S CB 0.898 63.246 63.200 -1.420 0.000 1.064 131 S HN 0.466 nan 8.310 nan 0.000 0.508 132 Y N 0.107 120.185 120.300 -0.370 0.000 2.524 132 Y HA 0.506 5.046 4.550 -0.017 0.000 0.347 132 Y C -0.401 175.534 175.900 0.059 0.000 1.005 132 Y CA -0.887 57.144 58.100 -0.115 0.000 1.025 132 Y CB 1.836 40.167 38.460 -0.216 0.000 1.275 132 Y HN 0.501 nan 8.280 nan 0.000 0.460 133 D N 2.287 122.881 120.400 0.323 0.000 2.732 133 D HA 0.537 5.167 4.640 -0.017 0.000 0.229 133 D C -1.028 175.399 176.300 0.211 0.000 1.152 133 D CA -0.338 53.827 54.000 0.274 0.000 0.854 133 D CB 2.818 43.870 40.800 0.419 0.000 1.590 133 D HN 0.399 nan 8.370 nan 0.000 0.468 134 I N 1.687 122.383 120.570 0.209 0.000 2.404 134 I HA 0.265 4.425 4.170 -0.017 0.000 0.293 134 I C -0.897 175.451 176.117 0.385 0.000 0.992 134 I CA -0.961 60.508 61.300 0.282 0.000 1.149 134 I CB 1.480 39.597 38.000 0.195 0.000 1.315 134 I HN 0.236 nan 8.210 nan 0.000 0.446 135 Y N 5.467 125.968 120.300 0.335 0.000 2.335 135 Y HA 0.303 4.843 4.550 -0.017 0.000 0.338 135 Y C -0.251 175.858 175.900 0.349 0.000 0.977 135 Y CA -0.680 57.622 58.100 0.338 0.000 1.114 135 Y CB 1.090 39.803 38.460 0.422 0.000 1.182 135 Y HN 0.490 nan 8.280 nan 0.000 0.463 136 D N 6.025 126.332 120.400 -0.155 0.000 2.317 136 D HA 0.110 4.740 4.640 -0.017 0.000 0.252 136 D C 0.506 176.511 176.300 -0.493 0.000 1.174 136 D CA 0.257 54.124 54.000 -0.222 0.000 0.866 136 D CB 1.188 41.915 40.800 -0.122 0.000 1.127 136 D HN 0.875 nan 8.370 nan 0.000 0.467 137 L N 3.572 124.571 121.223 -0.373 0.000 2.341 137 L HA -0.004 4.326 4.340 -0.017 0.000 0.214 137 L C 1.979 178.679 176.870 -0.283 0.000 1.115 137 L CA 0.126 54.820 54.840 -0.245 0.000 0.820 137 L CB -0.124 41.837 42.059 -0.164 0.000 0.944 137 L HN 0.357 nan 8.230 nan 0.000 0.452 138 N N 1.337 119.829 118.700 -0.347 0.000 2.270 138 N HA -0.125 4.605 4.740 -0.017 0.000 0.181 138 N C 1.370 176.758 175.510 -0.203 0.000 1.016 138 N CA 1.121 54.014 53.050 -0.262 0.000 0.870 138 N CB 0.096 38.419 38.487 -0.273 0.000 0.979 138 N HN 0.524 nan 8.380 nan 0.000 0.431 139 K N 0.186 120.453 120.400 -0.221 0.000 2.413 139 K HA 0.290 4.600 4.320 -0.017 0.000 0.204 139 K C -0.199 176.282 176.600 -0.199 0.000 1.041 139 K CA -0.361 55.825 56.287 -0.169 0.000 1.082 139 K CB 0.654 33.078 32.500 -0.127 0.000 0.871 139 K HN -0.189 nan 8.250 nan 0.000 0.535 140 R N 1.089 121.412 120.500 -0.295 0.000 3.322 140 R HA -0.195 4.135 4.340 -0.017 0.000 0.253 140 R C -0.901 175.177 176.300 -0.369 0.000 0.987 140 R CA 0.775 56.668 56.100 -0.344 0.000 0.666 140 R CB -1.784 28.464 30.300 -0.086 0.000 1.072 140 R HN 0.432 nan 8.270 nan 0.000 0.447 141 Q N -0.153 119.346 119.800 -0.501 0.000 2.433 141 Q HA 0.590 4.920 4.340 -0.017 0.000 0.279 141 Q C -0.546 175.326 176.000 -0.213 0.000 1.105 141 Q CA -0.731 54.937 55.803 -0.225 0.000 0.815 141 Q CB 1.781 30.460 28.738 -0.098 0.000 1.403 141 Q HN 0.259 nan 8.270 nan 0.000 0.435 142 L N 2.419 123.704 121.223 0.104 0.000 2.260 142 L HA 0.432 4.761 4.340 -0.017 0.000 0.289 142 L C -0.415 176.552 176.870 0.162 0.000 1.057 142 L CA -0.430 54.569 54.840 0.264 0.000 0.811 142 L CB 0.592 42.885 42.059 0.390 0.000 1.184 142 L HN 0.552 nan 8.230 nan 0.000 0.429 143 I N 3.387 124.051 120.570 0.157 0.000 2.664 143 I HA -0.078 4.082 4.170 -0.017 0.000 0.284 143 I C 1.370 177.544 176.117 0.095 0.000 1.154 143 I CA 0.366 61.731 61.300 0.108 0.000 1.402 143 I CB 0.804 38.866 38.000 0.103 0.000 1.395 143 I HN 0.717 nan 8.210 nan 0.000 0.545 144 T N 1.402 115.995 114.554 0.065 0.000 3.022 144 T HA 0.087 4.427 4.350 -0.017 0.000 0.250 144 T C 0.532 175.241 174.700 0.015 0.000 1.060 144 T CA -0.390 61.739 62.100 0.047 0.000 1.013 144 T CB 0.079 68.973 68.868 0.044 0.000 0.982 144 T HN 0.614 nan 8.240 nan 0.000 0.508 145 E N 1.808 122.012 120.200 0.007 0.000 2.231 145 E HA 0.237 4.577 4.350 -0.017 0.000 0.277 145 E C -0.509 176.070 176.600 -0.035 0.000 0.999 145 E CA -0.607 55.785 56.400 -0.014 0.000 0.827 145 E CB 0.809 30.504 29.700 -0.008 0.000 1.101 145 E HN 0.127 nan 8.360 nan 0.000 0.393 146 E N 0.775 120.941 120.200 -0.056 0.000 2.328 146 E HA -0.247 4.093 4.350 -0.017 0.000 0.233 146 E C -0.287 176.246 176.600 -0.113 0.000 1.219 146 E CA 0.831 57.180 56.400 -0.086 0.000 0.717 146 E CB -1.594 28.062 29.700 -0.074 0.000 1.210 146 E HN 0.686 nan 8.360 nan 0.000 0.381 147 R N -0.321 120.109 120.500 -0.116 0.000 2.694 147 R HA 0.426 4.755 4.340 -0.017 0.000 0.268 147 R C 0.938 177.078 176.300 -0.267 0.000 1.061 147 R CA -0.509 55.507 56.100 -0.140 0.000 1.133 147 R CB 0.495 30.747 30.300 -0.080 0.000 1.020 147 R HN 0.026 nan 8.270 nan 0.000 0.475 148 I N 3.559 123.929 120.570 -0.332 0.000 2.668 148 I HA 0.030 4.190 4.170 -0.017 0.000 0.285 148 I C -1.367 174.420 176.117 -0.549 0.000 1.168 148 I CA -1.601 59.338 61.300 -0.602 0.000 1.424 148 I CB 0.271 37.886 38.000 -0.641 0.000 1.377 148 I HN 0.510 nan 8.210 nan 0.000 0.560 149 P HA -0.012 nan 4.420 nan 0.000 0.269 149 P C -0.789 176.229 177.300 -0.471 0.000 1.217 149 P CA -0.159 62.483 63.100 -0.764 0.000 0.783 149 P CB 0.484 31.241 31.700 -1.572 0.000 0.898 150 N N 1.754 120.288 118.700 -0.276 0.000 2.424 150 N HA 0.021 4.751 4.740 -0.017 0.000 0.257 150 N C 0.570 176.121 175.510 0.068 0.000 1.250 150 N CA 0.037 53.008 53.050 -0.132 0.000 0.946 150 N CB -0.302 38.127 38.487 -0.097 0.000 1.175 150 N HN 0.432 nan 8.380 nan 0.000 0.477 151 N N -0.963 117.765 118.700 0.046 0.000 2.754 151 N HA -0.149 4.581 4.740 -0.017 0.000 0.248 151 N C -0.892 174.779 175.510 0.267 0.000 1.093 151 N CA 0.697 53.826 53.050 0.133 0.000 0.699 151 N CB -1.803 36.779 38.487 0.158 0.000 1.016 151 N HN 0.467 nan 8.380 nan 0.000 0.552 152 T N 0.794 115.476 114.554 0.214 0.000 2.832 152 T HA 0.150 4.490 4.350 -0.017 0.000 0.296 152 T C 1.716 176.552 174.700 0.226 0.000 0.968 152 T CA -0.100 62.147 62.100 0.244 0.000 1.107 152 T CB 1.296 70.194 68.868 0.050 0.000 0.916 152 T HN 0.165 nan 8.240 nan 0.000 0.517 153 Q N 2.016 121.941 119.800 0.208 0.000 2.269 153 Q HA 0.115 4.445 4.340 -0.017 0.000 0.201 153 Q C 0.166 176.281 176.000 0.191 0.000 0.946 153 Q CA 0.544 56.470 55.803 0.204 0.000 0.877 153 Q CB 0.663 29.459 28.738 0.096 0.000 0.963 153 Q HN 0.698 nan 8.270 nan 0.000 0.472 154 W N -0.090 121.141 121.300 -0.116 0.000 3.818 154 W HA 0.423 5.073 4.660 -0.017 0.000 0.283 154 W C -2.354 174.067 176.519 -0.164 0.000 1.265 154 W CA -0.621 56.620 57.345 -0.174 0.000 1.226 154 W CB 1.099 30.395 29.460 -0.273 0.000 1.281 154 W HN -0.360 nan 8.180 nan 0.000 0.539 155 V N 3.600 122.756 119.914 -1.263 0.000 2.925 155 V HA 0.781 4.891 4.120 -0.017 0.000 0.311 155 V C -0.438 174.935 176.094 -1.201 0.000 1.104 155 V CA -0.674 60.993 62.300 -1.055 0.000 0.954 155 V CB 1.815 32.941 31.823 -1.161 0.000 1.022 155 V HN 0.496 nan 8.190 nan 0.000 0.427 156 T N 2.379 116.557 114.554 -0.625 0.000 3.291 156 T HA 0.451 4.791 4.350 -0.017 0.000 0.344 156 T C -1.452 173.217 174.700 -0.051 0.000 1.293 156 T CA -0.368 61.563 62.100 -0.282 0.000 1.108 156 T CB 0.659 69.581 68.868 0.089 0.000 1.231 156 T HN 0.530 nan 8.240 nan 0.000 0.474 157 W N 3.036 124.323 121.300 -0.023 0.000 2.049 157 W HA 0.470 5.121 4.660 -0.017 0.000 0.356 157 W C 1.372 177.674 176.519 -0.362 0.000 1.323 157 W CA -0.439 56.841 57.345 -0.109 0.000 1.336 157 W CB 0.511 29.924 29.460 -0.078 0.000 1.176 157 W HN 0.797 nan 8.180 nan 0.000 0.623 158 S N 0.398 115.811 115.700 -0.479 0.000 2.634 158 S HA 0.230 4.689 4.470 -0.017 0.000 0.261 158 S C -1.918 172.381 174.600 -0.502 0.000 1.271 158 S CA -0.956 56.433 58.200 -1.352 0.000 0.985 158 S CB 0.824 63.161 63.200 -1.438 0.000 0.968 158 S HN 0.245 nan 8.310 nan 0.000 0.568 159 P HA 0.006 nan 4.420 nan 0.000 0.219 159 P C 1.381 178.628 177.300 -0.088 0.000 1.150 159 P CA 0.882 63.918 63.100 -0.107 0.000 0.814 159 P CB -0.091 31.594 31.700 -0.025 0.000 0.787 160 V N -5.063 114.762 119.914 -0.147 0.000 2.948 160 V HA 0.423 4.533 4.120 -0.017 0.000 0.234 160 V C 1.658 177.682 176.094 -0.115 0.000 1.205 160 V CA 1.014 63.255 62.300 -0.099 0.000 1.234 160 V CB -1.186 30.592 31.823 -0.076 0.000 1.020 160 V HN 0.021 nan 8.190 nan 0.000 0.491 161 G N 1.404 110.096 108.800 -0.180 0.000 3.197 161 G HA2 0.198 4.148 3.960 -0.017 0.000 0.167 161 G HA3 0.198 4.148 3.960 -0.017 0.000 0.167 161 G C 0.794 175.611 174.900 -0.138 0.000 1.914 161 G CA 0.666 45.651 45.100 -0.193 0.000 0.956 161 G HN 0.922 nan 8.290 nan 0.000 0.480 162 H N -0.875 118.173 119.070 -0.036 0.000 3.043 162 H HA 0.376 4.922 4.556 -0.017 0.000 0.244 162 H C -0.313 175.146 175.328 0.218 0.000 1.199 162 H CA -0.469 55.594 56.048 0.024 0.000 0.956 162 H CB -0.261 29.544 29.762 0.072 0.000 2.305 162 H HN 0.180 nan 8.280 nan 0.000 0.665 163 K N 1.626 122.028 120.400 0.004 0.000 2.219 163 K HA 0.477 4.787 4.320 -0.017 0.000 0.258 163 K C -0.395 176.297 176.600 0.154 0.000 1.008 163 K CA -0.327 55.975 56.287 0.026 0.000 0.928 163 K CB 1.631 34.008 32.500 -0.205 0.000 0.983 163 K HN 0.116 nan 8.250 nan 0.000 0.484 164 L N 1.039 122.381 121.223 0.199 0.000 2.408 164 L HA 0.553 4.883 4.340 -0.017 0.000 0.268 164 L C -0.997 176.056 176.870 0.305 0.000 0.986 164 L CA -0.836 54.082 54.840 0.129 0.000 0.820 164 L CB 2.147 44.132 42.059 -0.124 0.000 1.303 164 L HN 0.710 nan 8.230 nan 0.000 0.411 165 A N 2.786 125.790 122.820 0.308 0.000 2.356 165 A HA 0.831 5.140 4.320 -0.017 0.000 0.310 165 A C -1.593 176.003 177.584 0.019 0.000 1.075 165 A CA -0.374 51.735 52.037 0.120 0.000 0.746 165 A CB 1.171 20.195 19.000 0.040 0.000 1.221 165 A HN 0.644 nan 8.150 nan 0.000 0.443 166 Y N -0.456 119.794 120.300 -0.083 0.000 2.625 166 Y HA 0.773 5.312 4.550 -0.017 0.000 0.338 166 Y C -1.280 174.617 175.900 -0.005 0.000 1.123 166 Y CA -1.671 56.349 58.100 -0.135 0.000 1.046 166 Y CB 1.031 39.337 38.460 -0.257 0.000 1.299 166 Y HN 0.420 nan 8.280 nan 0.000 0.464 167 V N 1.839 121.900 119.914 0.246 0.000 2.495 167 V HA 0.408 4.518 4.120 -0.017 0.000 0.298 167 V C -1.477 174.833 176.094 0.359 0.000 1.031 167 V CA -0.635 61.784 62.300 0.197 0.000 0.871 167 V CB 1.422 33.262 31.823 0.028 0.000 0.988 167 V HN 0.873 nan 8.190 nan 0.000 0.432 168 W N 4.462 125.855 121.300 0.155 0.000 3.097 168 W HA 0.465 5.115 4.660 -0.017 0.000 0.335 168 W C 0.354 176.912 176.519 0.064 0.000 1.114 168 W CA -0.860 56.535 57.345 0.084 0.000 1.231 168 W CB 1.267 30.739 29.460 0.019 0.000 1.388 168 W HN 0.795 nan 8.180 nan 0.000 0.485 169 N N 5.442 123.808 118.700 -0.557 0.000 2.721 169 N HA -0.360 4.370 4.740 -0.017 0.000 0.249 169 N C 0.160 175.507 175.510 -0.272 0.000 1.072 169 N CA 1.064 53.779 53.050 -0.559 0.000 0.710 169 N CB -1.050 36.900 38.487 -0.895 0.000 0.993 169 N HN 0.844 nan 8.380 nan 0.000 0.547 170 N N -1.777 116.825 118.700 -0.165 0.000 2.828 170 N HA -0.166 4.564 4.740 -0.017 0.000 0.248 170 N C -1.287 174.148 175.510 -0.124 0.000 1.044 170 N CA 1.037 54.008 53.050 -0.133 0.000 0.851 170 N CB -0.367 37.999 38.487 -0.202 0.000 1.136 170 N HN 0.427 nan 8.380 nan 0.000 0.572 171 D N 0.588 120.933 120.400 -0.091 0.000 2.342 171 D HA 0.479 5.109 4.640 -0.017 0.000 0.243 171 D C 0.223 176.398 176.300 -0.208 0.000 1.019 171 D CA -0.370 53.509 54.000 -0.203 0.000 0.864 171 D CB 1.650 42.281 40.800 -0.280 0.000 1.315 171 D HN 0.037 nan 8.370 nan 0.000 0.468 172 I N 1.676 121.955 120.570 -0.485 0.000 2.472 172 I HA 0.223 4.383 4.170 -0.017 0.000 0.290 172 I C -0.670 175.000 176.117 -0.745 0.000 1.016 172 I CA -0.349 60.644 61.300 -0.513 0.000 1.348 172 I CB 0.541 38.140 38.000 -0.668 0.000 1.417 172 I HN 0.175 nan 8.210 nan 0.000 0.521 173 Y N 3.730 123.647 120.300 -0.639 0.000 2.524 173 Y HA 0.606 5.145 4.550 -0.017 0.000 0.347 173 Y C -0.427 175.118 175.900 -0.591 0.000 1.005 173 Y CA -0.918 56.764 58.100 -0.697 0.000 1.025 173 Y CB 2.007 39.798 38.460 -1.114 0.000 1.275 173 Y HN 0.097 nan 8.280 nan 0.000 0.460 174 V N 2.527 122.366 119.914 -0.126 0.000 2.604 174 V HA 0.479 4.589 4.120 -0.017 0.000 0.305 174 V C -0.789 175.423 176.094 0.197 0.000 1.043 174 V CA -1.310 61.010 62.300 0.034 0.000 0.888 174 V CB 2.015 33.872 31.823 0.057 0.000 0.995 174 V HN 0.625 nan 8.190 nan 0.000 0.429 175 K N 3.965 124.491 120.400 0.209 0.000 2.521 175 K HA 0.453 4.763 4.320 -0.017 0.000 0.248 175 K C 0.499 177.230 176.600 0.218 0.000 0.978 175 K CA -0.630 55.779 56.287 0.202 0.000 0.947 175 K CB 1.056 33.643 32.500 0.144 0.000 1.165 175 K HN 0.502 nan 8.250 nan 0.000 0.445 176 I N 1.360 122.091 120.570 0.270 0.000 2.286 176 I HA -0.112 4.048 4.170 -0.017 0.000 0.248 176 I C 0.408 176.639 176.117 0.190 0.000 1.115 176 I CA 1.447 62.873 61.300 0.210 0.000 1.392 176 I CB -0.303 37.838 38.000 0.235 0.000 1.065 176 I HN 0.562 nan 8.210 nan 0.000 0.418 177 E N -0.289 120.013 120.200 0.170 0.000 2.234 177 E HA 0.266 4.605 4.350 -0.017 0.000 0.266 177 E C -1.852 174.753 176.600 0.010 0.000 0.877 177 E CA -1.947 54.534 56.400 0.134 0.000 0.758 177 E CB 2.074 31.847 29.700 0.121 0.000 1.170 177 E HN -0.141 nan 8.360 nan 0.000 0.415 178 P HA -0.187 nan 4.420 nan 0.000 0.217 178 P C 0.780 178.019 177.300 -0.102 0.000 1.148 178 P CA 1.391 64.361 63.100 -0.215 0.000 0.834 178 P CB 0.314 31.647 31.700 -0.611 0.000 0.783 179 N N -1.906 116.759 118.700 -0.058 0.000 2.236 179 N HA 0.038 4.768 4.740 -0.017 0.000 0.196 179 N C 0.027 175.527 175.510 -0.017 0.000 1.114 179 N CA 0.185 53.224 53.050 -0.019 0.000 0.859 179 N CB -0.200 38.295 38.487 0.013 0.000 0.982 179 N HN 0.081 nan 8.380 nan 0.000 0.493 180 L N 1.300 122.514 121.223 -0.015 0.000 2.399 180 L HA 0.531 4.861 4.340 -0.017 0.000 0.265 180 L C -2.094 174.735 176.870 -0.068 0.000 1.089 180 L CA -2.011 52.814 54.840 -0.026 0.000 0.802 180 L CB 0.599 42.661 42.059 0.006 0.000 1.180 180 L HN -0.118 nan 8.230 nan 0.000 0.454 181 P HA 0.027 nan 4.420 nan 0.000 0.268 181 P C -0.714 176.450 177.300 -0.228 0.000 1.208 181 P CA -0.059 62.947 63.100 -0.157 0.000 0.777 181 P CB 0.550 32.145 31.700 -0.174 0.000 0.875 182 S N 1.525 117.140 115.700 -0.142 0.000 2.586 182 S HA 0.361 4.821 4.470 -0.017 0.000 0.274 182 S C -1.074 173.457 174.600 -0.114 0.000 1.281 182 S CA -0.371 57.792 58.200 -0.061 0.000 1.035 182 S CB -0.146 63.108 63.200 0.090 0.000 0.962 182 S HN 0.172 nan 8.310 nan 0.000 0.512 183 Y N 2.855 123.183 120.300 0.046 0.000 2.341 183 Y HA 0.386 4.926 4.550 -0.017 0.000 0.340 183 Y C 0.844 176.667 175.900 -0.129 0.000 0.997 183 Y CA -0.550 57.550 58.100 0.000 0.000 1.149 183 Y CB 0.702 39.156 38.460 -0.009 0.000 1.171 183 Y HN 0.546 nan 8.280 nan 0.000 0.494 184 R N 4.224 124.660 120.500 -0.106 0.000 2.248 184 R HA 0.178 4.508 4.340 -0.017 0.000 0.328 184 R C 0.247 176.248 176.300 -0.498 0.000 1.067 184 R CA -0.105 55.574 56.100 -0.702 0.000 0.924 184 R CB 0.333 29.973 30.300 -1.100 0.000 1.013 184 R HN 0.777 nan 8.270 nan 0.000 0.454 185 I N 2.093 122.310 120.570 -0.589 0.000 2.480 185 I HA -0.042 4.118 4.170 -0.017 0.000 0.251 185 I C 1.321 177.218 176.117 -0.368 0.000 1.124 185 I CA 1.040 62.115 61.300 -0.375 0.000 1.444 185 I CB -0.599 37.144 38.000 -0.428 0.000 1.098 185 I HN 0.504 nan 8.210 nan 0.000 0.428 186 T N -1.425 112.767 114.554 -0.604 0.000 2.908 186 T HA 0.352 4.692 4.350 -0.017 0.000 0.290 186 T C -1.019 173.350 174.700 -0.551 0.000 1.034 186 T CA -0.372 61.474 62.100 -0.422 0.000 1.010 186 T CB 1.235 69.837 68.868 -0.443 0.000 1.068 186 T HN 0.170 nan 8.240 nan 0.000 0.481 187 W N 1.285 122.463 121.300 -0.203 0.000 2.518 187 W HA 0.235 4.885 4.660 -0.017 0.000 0.352 187 W C 1.837 178.293 176.519 -0.105 0.000 0.952 187 W CA -0.164 57.098 57.345 -0.139 0.000 1.624 187 W CB 0.053 29.453 29.460 -0.099 0.000 1.135 187 W HN 0.792 nan 8.180 nan 0.000 0.540 188 T N -2.679 111.905 114.554 0.050 0.000 3.086 188 T HA 0.315 4.655 4.350 -0.017 0.000 0.250 188 T C 1.153 175.841 174.700 -0.020 0.000 1.074 188 T CA 0.112 62.228 62.100 0.027 0.000 0.988 188 T CB -0.102 68.781 68.868 0.023 0.000 0.988 188 T HN -0.001 nan 8.240 nan 0.000 0.530 189 G N 1.199 109.957 108.800 -0.070 0.000 2.353 189 G HA2 0.375 4.325 3.960 -0.017 0.000 0.239 189 G HA3 0.375 4.325 3.960 -0.017 0.000 0.239 189 G C -0.615 174.220 174.900 -0.110 0.000 1.295 189 G CA -0.443 44.593 45.100 -0.106 0.000 0.884 189 G HN 0.543 nan 8.290 nan 0.000 0.537 190 K N 1.723 122.035 120.400 -0.146 0.000 2.635 190 K HA 0.126 4.436 4.320 -0.017 0.000 0.266 190 K C -0.181 176.293 176.600 -0.208 0.000 1.033 190 K CA -0.605 55.599 56.287 -0.139 0.000 0.919 190 K CB 1.250 33.705 32.500 -0.074 0.000 1.289 190 K HN 0.669 nan 8.250 nan 0.000 0.463 191 E N 3.363 123.439 120.200 -0.207 0.000 2.900 191 E HA -0.193 4.147 4.350 -0.017 0.000 0.259 191 E C -0.545 175.955 176.600 -0.167 0.000 0.918 191 E CA 1.262 57.533 56.400 -0.214 0.000 0.960 191 E CB 0.234 29.851 29.700 -0.139 0.000 0.908 191 E HN 0.667 nan 8.360 nan 0.000 0.511 192 D N 2.214 122.491 120.400 -0.204 0.000 2.978 192 D HA -0.233 4.397 4.640 -0.017 0.000 0.205 192 D C 0.558 176.915 176.300 0.094 0.000 1.093 192 D CA 1.471 55.496 54.000 0.043 0.000 1.006 192 D CB -0.558 40.299 40.800 0.095 0.000 1.116 192 D HN 0.404 nan 8.370 nan 0.000 0.419 193 I N -1.099 119.434 120.570 -0.061 0.000 3.809 193 I HA 0.169 4.328 4.170 -0.017 0.000 0.245 193 I C 0.809 177.007 176.117 0.135 0.000 1.119 193 I CA 0.282 61.627 61.300 0.075 0.000 1.597 193 I CB -0.358 37.658 38.000 0.027 0.000 1.605 193 I HN -0.191 nan 8.210 nan 0.000 0.441 194 I N 1.329 121.897 120.570 -0.004 0.000 2.362 194 I HA 0.238 4.398 4.170 -0.017 0.000 0.289 194 I C -1.226 174.895 176.117 0.007 0.000 0.994 194 I CA -0.292 61.066 61.300 0.098 0.000 1.158 194 I CB 0.967 38.999 38.000 0.054 0.000 1.315 194 I HN -0.006 nan 8.210 nan 0.000 0.451 195 Y N 5.062 125.449 120.300 0.146 0.000 2.334 195 Y HA 0.466 5.005 4.550 -0.017 0.000 0.336 195 Y C 0.167 176.120 175.900 0.088 0.000 0.960 195 Y CA -0.872 57.314 58.100 0.144 0.000 1.164 195 Y CB 0.824 39.450 38.460 0.277 0.000 1.155 195 Y HN 0.434 nan 8.280 nan 0.000 0.478 196 N N 2.166 120.923 118.700 0.095 0.000 2.444 196 N HA 0.348 5.078 4.740 -0.017 0.000 0.262 196 N C 0.864 176.311 175.510 -0.105 0.000 0.974 196 N CA 0.490 53.521 53.050 -0.032 0.000 0.933 196 N CB 1.859 40.230 38.487 -0.193 0.000 1.137 196 N HN 0.974 nan 8.380 nan 0.000 0.498 197 G N 1.656 110.410 108.800 -0.075 0.000 2.205 197 G HA2 -0.256 3.694 3.960 -0.017 0.000 0.261 197 G HA3 -0.256 3.694 3.960 -0.017 0.000 0.261 197 G C 0.127 174.902 174.900 -0.208 0.000 0.980 197 G CA 0.679 45.676 45.100 -0.172 0.000 0.632 197 G HN 0.652 nan 8.290 nan 0.000 0.533 198 I N -1.294 119.227 120.570 -0.081 0.000 2.730 198 I HA 0.761 4.920 4.170 -0.017 0.000 0.298 198 I C 0.352 176.559 176.117 0.150 0.000 1.089 198 I CA -0.636 60.558 61.300 -0.177 0.000 1.041 198 I CB 2.013 39.726 38.000 -0.479 0.000 1.235 198 I HN 0.176 nan 8.210 nan 0.000 0.423 199 T N -0.008 114.585 114.554 0.065 0.000 2.904 199 T HA 0.305 4.645 4.350 -0.017 0.000 0.290 199 T C -0.076 174.480 174.700 -0.241 0.000 1.018 199 T CA -0.611 61.389 62.100 -0.167 0.000 1.075 199 T CB 1.138 69.974 68.868 -0.054 0.000 0.986 199 T HN 0.761 nan 8.240 nan 0.000 0.523 200 D N 0.726 120.713 120.400 -0.689 0.000 2.478 200 D HA 0.032 4.662 4.640 -0.017 0.000 0.274 200 D C 0.987 177.203 176.300 -0.140 0.000 1.234 200 D CA -1.084 52.486 54.000 -0.718 0.000 1.069 200 D CB 0.041 40.346 40.800 -0.826 0.000 1.113 200 D HN 0.698 nan 8.370 nan 0.000 0.571 201 W N -0.087 121.160 121.300 -0.088 0.000 2.333 201 W HA -0.212 4.439 4.660 -0.015 0.000 0.316 201 W C 2.195 178.606 176.519 -0.181 0.000 1.215 201 W CA 2.383 59.670 57.345 -0.097 0.000 1.278 201 W CB -0.429 28.919 29.460 -0.187 0.000 1.154 201 W HN 0.186 nan 8.180 nan 0.000 0.486 202 V N -0.293 119.666 119.914 0.074 0.000 2.453 202 V HA -0.273 3.837 4.120 -0.017 0.000 0.247 202 V C 1.842 177.749 176.094 -0.312 0.000 1.048 202 V CA 1.897 64.118 62.300 -0.131 0.000 1.049 202 V CB -0.724 31.048 31.823 -0.086 0.000 0.672 202 V HN 0.283 nan 8.190 nan 0.000 0.457 203 Y N 0.648 120.746 120.300 -0.336 0.000 2.293 203 Y HA -0.147 4.393 4.550 -0.017 0.000 0.291 203 Y C 2.581 178.354 175.900 -0.211 0.000 1.137 203 Y CA 2.065 59.970 58.100 -0.324 0.000 1.202 203 Y CB 0.002 38.141 38.460 -0.535 0.000 0.990 203 Y HN 0.391 nan 8.280 nan 0.000 0.537 204 E N 0.230 120.368 120.200 -0.103 0.000 2.047 204 E HA -0.265 4.075 4.350 -0.017 0.000 0.191 204 E C 1.961 178.494 176.600 -0.112 0.000 0.987 204 E CA 1.445 57.813 56.400 -0.053 0.000 0.799 204 E CB 0.053 29.713 29.700 -0.066 0.000 0.752 204 E HN 0.408 nan 8.360 nan 0.000 0.449 205 E N 0.189 120.138 120.200 -0.419 0.000 2.076 205 E HA -0.134 4.206 4.350 -0.017 0.000 0.190 205 E C 1.720 178.183 176.600 -0.229 0.000 0.979 205 E CA 1.278 57.424 56.400 -0.424 0.000 0.807 205 E CB 0.177 29.274 29.700 -1.006 0.000 0.761 205 E HN 0.174 nan 8.360 nan 0.000 0.454 206 E N -0.483 119.557 120.200 -0.266 0.000 2.307 206 E HA 0.028 4.368 4.350 -0.017 0.000 0.195 206 E C 1.826 178.287 176.600 -0.233 0.000 0.975 206 E CA 0.881 57.173 56.400 -0.181 0.000 0.878 206 E CB 0.793 30.375 29.700 -0.196 0.000 0.845 206 E HN 0.299 nan 8.360 nan 0.000 0.488 207 V N -1.457 118.257 119.914 -0.334 0.000 2.948 207 V HA 0.103 4.213 4.120 -0.017 0.000 0.234 207 V C 1.188 177.045 176.094 -0.394 0.000 1.205 207 V CA 0.352 62.382 62.300 -0.451 0.000 1.234 207 V CB -0.214 31.147 31.823 -0.769 0.000 1.020 207 V HN -0.013 nan 8.190 nan 0.000 0.491 208 F N 1.689 121.651 119.950 0.020 0.000 2.754 208 F HA 0.438 4.955 4.527 -0.017 0.000 0.297 208 F C 1.644 177.413 175.800 -0.053 0.000 1.122 208 F CA 0.580 58.612 58.000 0.054 0.000 1.400 208 F CB -0.396 38.692 39.000 0.147 0.000 1.117 208 F HN 0.207 nan 8.300 nan 0.000 0.587 209 S N 0.443 116.154 115.700 0.019 0.000 3.549 209 S HA -0.015 4.444 4.470 -0.017 0.000 0.366 209 S C 0.118 174.385 174.600 -0.555 0.000 1.012 209 S CA 0.446 58.525 58.200 -0.201 0.000 1.141 209 S CB -1.692 61.422 63.200 -0.143 0.000 0.910 209 S HN 0.647 nan 8.310 nan 0.000 0.471 210 A N -0.593 122.104 122.820 -0.204 0.000 2.608 210 A HA 0.692 5.002 4.320 -0.017 0.000 0.292 210 A C -0.215 177.350 177.584 -0.032 0.000 1.066 210 A CA -0.520 51.401 52.037 -0.194 0.000 0.676 210 A CB 0.318 19.193 19.000 -0.209 0.000 1.277 210 A HN 0.249 nan 8.150 nan 0.000 0.413 211 Y N 1.384 121.525 120.300 -0.266 0.000 2.365 211 Y HA 0.152 4.692 4.550 -0.017 0.000 0.293 211 Y C 1.647 177.266 175.900 -0.468 0.000 1.119 211 Y CA 1.117 59.067 58.100 -0.249 0.000 1.203 211 Y CB -0.094 38.255 38.460 -0.186 0.000 1.026 211 Y HN 0.688 nan 8.280 nan 0.000 0.549 212 S N 0.604 115.784 115.700 -0.867 0.000 2.549 212 S HA 0.386 4.846 4.470 -0.017 0.000 0.286 212 S C 0.329 174.418 174.600 -0.853 0.000 1.314 212 S CA 0.246 57.693 58.200 -1.254 0.000 1.062 212 S CB 0.340 62.466 63.200 -1.790 0.000 0.865 212 S HN 0.427 nan 8.310 nan 0.000 0.498 213 A N 4.466 126.803 122.820 -0.804 0.000 2.806 213 A HA 0.513 4.823 4.320 -0.017 0.000 0.266 213 A C -0.832 176.193 177.584 -0.931 0.000 0.926 213 A CA -0.624 50.931 52.037 -0.804 0.000 1.068 213 A CB -0.316 18.610 19.000 -0.123 0.000 1.189 213 A HN 0.925 nan 8.150 nan 0.000 0.481 214 L N -4.657 115.827 121.223 -1.232 0.000 2.431 214 L HA 0.862 5.192 4.340 -0.017 0.000 0.266 214 L C -1.321 175.121 176.870 -0.714 0.000 0.978 214 L CA -1.202 53.240 54.840 -0.663 0.000 0.822 214 L CB 1.008 42.864 42.059 -0.337 0.000 1.310 214 L HN 0.223 nan 8.230 nan 0.000 0.409 215 W N 2.147 123.500 121.300 0.088 0.000 2.587 215 W HA 0.342 4.992 4.660 -0.017 0.000 0.324 215 W C -1.340 175.400 176.519 0.368 0.000 1.008 215 W CA -0.730 56.786 57.345 0.285 0.000 1.265 215 W CB 1.597 31.286 29.460 0.382 0.000 1.328 215 W HN 0.624 nan 8.180 nan 0.000 0.432 216 W N 2.330 123.825 121.300 0.324 0.000 2.170 216 W HA 0.194 4.844 4.660 -0.017 0.000 0.336 216 W C 1.296 177.623 176.519 -0.321 0.000 1.283 216 W CA 0.382 57.775 57.345 0.081 0.000 1.224 216 W CB 0.735 30.220 29.460 0.041 0.000 1.132 216 W HN 0.184 nan 8.180 nan 0.000 0.571 217 S N 2.307 117.738 115.700 -0.449 0.000 2.600 217 S HA 0.186 4.646 4.470 -0.017 0.000 0.265 217 S C -1.781 172.565 174.600 -0.424 0.000 1.325 217 S CA -1.018 56.400 58.200 -1.303 0.000 1.002 217 S CB 1.030 63.578 63.200 -1.087 0.000 0.921 217 S HN 0.284 nan 8.310 nan 0.000 0.554 218 P HA -0.183 nan 4.420 nan 0.000 0.218 218 P C 0.784 178.055 177.300 -0.047 0.000 1.154 218 P CA 1.760 64.826 63.100 -0.058 0.000 0.872 218 P CB -0.209 31.504 31.700 0.021 0.000 0.790 219 N N -2.233 116.427 118.700 -0.068 0.000 2.235 219 N HA 0.156 4.886 4.740 -0.017 0.000 0.209 219 N C 1.041 176.489 175.510 -0.103 0.000 1.122 219 N CA 0.357 53.367 53.050 -0.067 0.000 0.845 219 N CB -0.719 37.742 38.487 -0.044 0.000 1.004 219 N HN 0.179 nan 8.380 nan 0.000 0.499 220 G N -0.790 107.955 108.800 -0.092 0.000 2.184 220 G HA2 -0.363 3.587 3.960 -0.017 0.000 0.264 220 G HA3 -0.363 3.587 3.960 -0.017 0.000 0.264 220 G C 0.974 175.921 174.900 0.078 0.000 0.975 220 G CA 0.893 45.961 45.100 -0.053 0.000 0.642 220 G HN 0.390 nan 8.290 nan 0.000 0.536 221 T N -0.056 114.451 114.554 -0.079 0.000 2.737 221 T HA 0.188 4.528 4.350 -0.017 0.000 0.265 221 T C 0.864 175.381 174.700 -0.305 0.000 1.038 221 T CA 1.337 63.277 62.100 -0.267 0.000 1.144 221 T CB -0.073 68.480 68.868 -0.526 0.000 0.866 221 T HN 0.295 nan 8.240 nan 0.000 0.434 222 F N 0.485 120.451 119.950 0.026 0.000 2.425 222 F HA 0.617 5.133 4.527 -0.017 0.000 0.331 222 F C -0.225 175.600 175.800 0.040 0.000 1.085 222 F CA -1.727 56.313 58.000 0.068 0.000 1.028 222 F CB 1.152 40.267 39.000 0.191 0.000 1.177 222 F HN -0.099 nan 8.300 nan 0.000 0.487 223 L N 3.054 124.385 121.223 0.180 0.000 2.345 223 L HA 0.796 5.126 4.340 -0.017 0.000 0.274 223 L C -0.616 176.327 176.870 0.122 0.000 0.999 223 L CA -0.592 54.171 54.840 -0.129 0.000 0.849 223 L CB 0.560 42.257 42.059 -0.604 0.000 1.220 223 L HN 0.649 nan 8.230 nan 0.000 0.422 224 A N 4.850 127.837 122.820 0.278 0.000 2.304 224 A HA 0.765 5.075 4.320 -0.017 0.000 0.301 224 A C -1.318 176.324 177.584 0.098 0.000 1.132 224 A CA -0.211 51.881 52.037 0.092 0.000 0.819 224 A CB 0.474 19.625 19.000 0.253 0.000 1.094 224 A HN 0.907 nan 8.150 nan 0.000 0.492 225 Y N -1.659 118.392 120.300 -0.415 0.000 2.609 225 Y HA 0.753 5.293 4.550 -0.017 0.000 0.336 225 Y C -0.314 175.367 175.900 -0.364 0.000 1.129 225 Y CA -0.885 57.069 58.100 -0.242 0.000 1.040 225 Y CB 0.801 39.115 38.460 -0.244 0.000 1.310 225 Y HN 0.918 nan 8.280 nan 0.000 0.460 226 A N 2.018 124.877 122.820 0.066 0.000 2.299 226 A HA 0.736 5.046 4.320 -0.017 0.000 0.332 226 A C -1.194 176.297 177.584 -0.156 0.000 1.131 226 A CA -0.856 51.123 52.037 -0.097 0.000 0.844 226 A CB 1.799 20.728 19.000 -0.118 0.000 1.251 226 A HN 0.827 nan 8.150 nan 0.000 0.486 227 Q N 0.591 120.197 119.800 -0.324 0.000 2.304 227 Q HA 0.587 4.917 4.340 -0.017 0.000 0.270 227 Q C -2.150 173.596 176.000 -0.424 0.000 1.035 227 Q CA -0.358 55.339 55.803 -0.177 0.000 0.781 227 Q CB 1.203 30.038 28.738 0.161 0.000 1.261 227 Q HN 0.588 nan 8.270 nan 0.000 0.444 228 F N 2.233 122.278 119.950 0.159 0.000 2.469 228 F HA 0.433 4.950 4.527 -0.017 0.000 0.332 228 F C 0.413 176.358 175.800 0.242 0.000 1.103 228 F CA -0.889 57.182 58.000 0.119 0.000 0.979 228 F CB 1.446 40.418 39.000 -0.047 0.000 1.137 228 F HN 0.421 nan 8.300 nan 0.000 0.463 229 N N 1.948 120.867 118.700 0.364 0.000 2.479 229 N HA 0.220 4.949 4.740 -0.017 0.000 0.261 229 N C -0.887 174.799 175.510 0.293 0.000 0.979 229 N CA -0.302 52.927 53.050 0.298 0.000 0.930 229 N CB 1.084 39.694 38.487 0.205 0.000 1.172 229 N HN 0.561 nan 8.380 nan 0.000 0.499 230 D N 1.369 121.965 120.400 0.326 0.000 2.402 230 D HA 0.123 4.753 4.640 -0.017 0.000 0.216 230 D C 1.232 177.654 176.300 0.205 0.000 1.128 230 D CA 0.136 54.304 54.000 0.280 0.000 0.833 230 D CB 0.569 41.588 40.800 0.365 0.000 0.971 230 D HN 0.470 nan 8.370 nan 0.000 0.503 231 T N 0.572 115.229 114.554 0.171 0.000 2.620 231 T HA -0.239 4.101 4.350 -0.017 0.000 0.267 231 T C 1.305 176.067 174.700 0.103 0.000 1.044 231 T CA 1.415 63.588 62.100 0.121 0.000 1.161 231 T CB -0.097 68.831 68.868 0.100 0.000 0.862 231 T HN 0.345 nan 8.240 nan 0.000 0.438 232 E N 0.330 120.592 120.200 0.103 0.000 2.465 232 E HA 0.191 4.531 4.350 -0.017 0.000 0.195 232 E C -0.392 176.263 176.600 0.092 0.000 1.028 232 E CA -0.253 56.198 56.400 0.085 0.000 0.899 232 E CB 0.516 30.259 29.700 0.071 0.000 1.032 232 E HN 0.214 nan 8.360 nan 0.000 0.468 233 V N 3.604 123.587 119.914 0.116 0.000 2.508 233 V HA 0.085 4.195 4.120 -0.017 0.000 0.281 233 V C -1.983 174.175 176.094 0.106 0.000 1.041 233 V CA -1.467 60.905 62.300 0.120 0.000 1.016 233 V CB 0.409 32.323 31.823 0.151 0.000 0.984 233 V HN 0.039 nan 8.190 nan 0.000 0.478 234 P HA 0.216 nan 4.420 nan 0.000 0.270 234 P C -0.770 176.575 177.300 0.075 0.000 1.223 234 P CA -0.155 62.989 63.100 0.074 0.000 0.785 234 P CB 0.479 32.221 31.700 0.070 0.000 0.923 235 L N 2.102 123.346 121.223 0.036 0.000 2.317 235 L HA 0.468 4.797 4.340 -0.017 0.000 0.281 235 L C 0.215 177.046 176.870 -0.065 0.000 1.024 235 L CA -0.981 53.863 54.840 0.006 0.000 0.810 235 L CB 1.195 43.253 42.059 -0.003 0.000 1.240 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 I N 2.532 123.018 120.570 -0.140 0.000 2.365 236 I HA 0.245 4.405 4.170 -0.017 0.000 0.291 236 I C -0.316 175.665 176.117 -0.227 0.000 1.004 236 I CA 0.255 61.374 61.300 -0.301 0.000 1.311 236 I CB 0.828 38.394 38.000 -0.722 0.000 1.401 236 I HN 0.567 nan 8.210 nan 0.000 0.491 237 E N 7.460 127.548 120.200 -0.186 0.000 2.222 237 E HA 0.536 4.876 4.350 -0.017 0.000 0.267 237 E C -1.755 174.797 176.600 -0.080 0.000 0.884 237 E CA -0.598 55.694 56.400 -0.181 0.000 0.764 237 E CB 1.981 31.598 29.700 -0.138 0.000 1.169 237 E HN 0.576 nan 8.360 nan 0.000 0.413 238 Y N -1.810 118.399 120.300 -0.152 0.000 2.581 238 Y HA 0.507 5.046 4.550 -0.019 0.000 0.337 238 Y C -0.767 175.060 175.900 -0.121 0.000 1.108 238 Y CA -1.301 56.717 58.100 -0.136 0.000 1.033 238 Y CB 0.787 39.170 38.460 -0.128 0.000 1.318 238 Y HN 0.208 nan 8.280 nan 0.000 0.459 239 S N 2.134 117.821 115.700 -0.022 0.000 2.565 239 S HA 0.452 4.912 4.470 -0.017 0.000 0.276 239 S C -1.345 173.096 174.600 -0.264 0.000 1.326 239 S CA -0.324 57.724 58.200 -0.253 0.000 1.045 239 S CB 0.409 63.331 63.200 -0.463 0.000 0.918 239 S HN 0.532 nan 8.310 nan 0.000 0.505 240 F N 2.460 122.136 119.950 -0.455 0.000 2.499 240 F HA 0.426 4.944 4.527 -0.015 0.000 0.333 240 F C -0.175 175.390 175.800 -0.390 0.000 1.138 240 F CA -1.045 56.781 58.000 -0.290 0.000 0.945 240 F CB 0.708 39.654 39.000 -0.090 0.000 1.181 240 F HN 0.644 nan 8.300 nan 0.000 0.435 241 Y N 2.741 122.811 120.300 -0.382 0.000 2.337 241 Y HA 0.076 4.614 4.550 -0.020 0.000 0.293 241 Y C 1.751 177.540 175.900 -0.184 0.000 1.123 241 Y CA 1.200 59.163 58.100 -0.228 0.000 1.201 241 Y CB -0.612 37.716 38.460 -0.219 0.000 1.011 241 Y HN 0.722 nan 8.280 nan 0.000 0.545 242 S N -0.345 115.188 115.700 -0.278 0.000 3.513 242 S HA -0.215 4.245 4.470 -0.017 0.000 0.636 242 S C -0.593 174.024 174.600 0.029 0.000 2.452 242 S CA 0.107 58.310 58.200 0.005 0.000 2.644 242 S CB -1.120 62.213 63.200 0.222 0.000 0.331 242 S HN 0.456 nan 8.310 nan 0.000 1.787 243 D N 1.524 121.971 120.400 0.078 0.000 2.400 243 D HA 0.137 4.767 4.640 -0.017 0.000 0.238 243 D C 1.424 177.748 176.300 0.040 0.000 1.157 243 D CA 0.454 54.486 54.000 0.053 0.000 0.889 243 D CB 0.209 41.045 40.800 0.060 0.000 1.199 243 D HN 0.636 nan 8.370 nan 0.000 0.436 244 E N 0.648 120.862 120.200 0.023 0.000 2.147 244 E HA -0.272 4.068 4.350 -0.017 0.000 0.199 244 E C 1.614 178.223 176.600 0.015 0.000 1.005 244 E CA 1.674 58.081 56.400 0.011 0.000 0.810 244 E CB 0.099 29.801 29.700 0.002 0.000 0.736 244 E HN 0.467 nan 8.360 nan 0.000 0.460 245 S N 0.098 115.813 115.700 0.025 0.000 2.469 245 S HA -0.113 4.347 4.470 -0.017 0.000 0.238 245 S C 1.121 175.742 174.600 0.035 0.000 0.998 245 S CA 0.145 58.361 58.200 0.026 0.000 0.957 245 S CB -0.266 62.952 63.200 0.031 0.000 0.764 245 S HN 0.273 nan 8.310 nan 0.000 0.514 246 L N 2.089 123.341 121.223 0.048 0.000 2.418 246 L HA 0.146 4.476 4.340 -0.017 0.000 0.274 246 L C 1.586 178.482 176.870 0.044 0.000 1.135 246 L CA -0.041 54.838 54.840 0.065 0.000 0.870 246 L CB 1.014 43.125 42.059 0.087 0.000 1.154 246 L HN 0.412 nan 8.230 nan 0.000 0.462 247 Q N 3.955 123.785 119.800 0.050 0.000 2.049 247 Q HA -0.084 4.246 4.340 -0.017 0.000 0.198 247 Q C -0.564 175.347 176.000 -0.149 0.000 0.971 247 Q CA 1.272 57.050 55.803 -0.043 0.000 0.833 247 Q CB 0.198 28.934 28.738 -0.003 0.000 0.896 247 Q HN 0.594 nan 8.270 nan 0.000 0.434 248 Y N 0.846 121.156 120.300 0.017 0.000 2.331 248 Y HA 0.367 4.909 4.550 -0.013 0.000 0.338 248 Y C -2.060 173.844 175.900 0.006 0.000 0.976 248 Y CA -2.870 55.236 58.100 0.010 0.000 1.137 248 Y CB 1.272 39.731 38.460 -0.002 0.000 1.172 248 Y HN 0.159 nan 8.280 nan 0.000 0.478 249 P HA 0.013 nan 4.420 nan 0.000 0.266 249 P C -0.798 176.505 177.300 0.006 0.000 1.195 249 P CA -0.296 62.812 63.100 0.013 0.000 0.768 249 P CB 0.510 32.175 31.700 -0.059 0.000 0.838 250 K N 0.524 120.918 120.400 -0.011 0.000 2.106 250 K HA 0.589 4.899 4.320 -0.017 0.000 0.246 250 K C -0.791 175.764 176.600 -0.074 0.000 0.987 250 K CA -0.690 55.591 56.287 -0.011 0.000 0.904 250 K CB 0.674 33.191 32.500 0.028 0.000 1.071 250 K HN 0.174 nan 8.250 nan 0.000 0.453 251 T N 1.581 116.075 114.554 -0.099 0.000 2.772 251 T HA 0.253 4.593 4.350 -0.017 0.000 0.288 251 T C -0.522 174.045 174.700 -0.222 0.000 0.994 251 T CA -0.732 61.271 62.100 -0.161 0.000 0.951 251 T CB 1.144 69.932 68.868 -0.134 0.000 0.933 251 T HN 0.371 nan 8.240 nan 0.000 0.447 252 V N 5.975 125.656 119.914 -0.389 0.000 2.509 252 V HA 0.572 4.682 4.120 -0.017 0.000 0.284 252 V C 0.307 176.101 176.094 -0.500 0.000 1.047 252 V CA -0.701 61.310 62.300 -0.480 0.000 0.952 252 V CB 0.780 32.150 31.823 -0.756 0.000 0.988 252 V HN 0.787 nan 8.190 nan 0.000 0.469 253 R N 4.057 124.402 120.500 -0.259 0.000 2.621 253 R HA 0.829 5.159 4.340 -0.017 0.000 0.284 253 R C -1.675 174.604 176.300 -0.036 0.000 0.998 253 R CA -0.673 55.325 56.100 -0.170 0.000 0.895 253 R CB 1.806 32.040 30.300 -0.110 0.000 1.195 253 R HN 0.522 nan 8.270 nan 0.000 0.450 254 V N 1.086 120.994 119.914 -0.011 0.000 2.808 254 V HA 0.512 4.622 4.120 -0.017 0.000 0.308 254 V C -2.839 173.316 176.094 0.102 0.000 1.099 254 V CA -2.285 60.083 62.300 0.114 0.000 0.920 254 V CB 2.749 34.667 31.823 0.158 0.000 1.014 254 V HN 0.621 nan 8.190 nan 0.000 0.425 255 P HA 0.205 nan 4.420 nan 0.000 0.261 255 P C -1.764 175.650 177.300 0.191 0.000 1.203 255 P CA 0.656 63.870 63.100 0.190 0.000 0.767 255 P CB -0.355 31.500 31.700 0.258 0.000 0.785 256 Y N 6.648 126.932 120.300 -0.026 0.000 2.315 256 Y HA 0.383 4.924 4.550 -0.015 0.000 0.324 256 Y C -2.703 173.180 175.900 -0.028 0.000 1.062 256 Y CA -2.890 55.148 58.100 -0.103 0.000 1.159 256 Y CB 1.811 40.085 38.460 -0.310 0.000 1.145 256 Y HN 0.285 nan 8.280 nan 0.000 0.442 257 P HA 0.242 nan 4.420 nan 0.000 0.287 257 P C -0.958 176.405 177.300 0.106 0.000 1.307 257 P CA -0.196 62.955 63.100 0.085 0.000 0.777 257 P CB 1.427 33.160 31.700 0.054 0.000 0.883 258 K N 2.043 122.577 120.400 0.223 0.000 2.102 258 K HA 0.508 4.818 4.320 -0.017 0.000 0.244 258 K C 0.520 177.224 176.600 0.173 0.000 1.021 258 K CA -0.769 55.668 56.287 0.250 0.000 0.913 258 K CB 0.642 33.300 32.500 0.262 0.000 1.062 258 K HN 0.446 nan 8.250 nan 0.000 0.485 259 A N 0.748 123.692 122.820 0.208 0.000 2.573 259 A HA 0.256 4.566 4.320 -0.017 0.000 0.250 259 A C 1.181 178.801 177.584 0.060 0.000 1.049 259 A CA 1.108 53.250 52.037 0.175 0.000 0.767 259 A CB -1.305 17.867 19.000 0.288 0.000 0.965 259 A HN 0.908 nan 8.150 nan 0.000 0.514 260 G N 1.096 109.927 108.800 0.052 0.000 2.225 260 G HA2 0.093 4.043 3.960 -0.017 0.000 0.254 260 G HA3 0.093 4.043 3.960 -0.017 0.000 0.254 260 G C 0.738 175.654 174.900 0.028 0.000 0.988 260 G CA 0.746 45.852 45.100 0.009 0.000 0.625 260 G HN 2.184 nan 8.290 nan 0.000 0.527 261 A N -0.220 122.633 122.820 0.056 0.000 2.267 261 A HA 0.702 5.011 4.320 -0.017 0.000 0.271 261 A C 0.926 178.548 177.584 0.062 0.000 1.131 261 A CA 0.418 52.492 52.037 0.061 0.000 0.818 261 A CB 0.459 19.510 19.000 0.085 0.000 1.118 261 A HN 1.193 nan 8.150 nan 0.000 0.501 262 V N 2.330 122.282 119.914 0.064 0.000 2.529 262 V HA 0.041 4.151 4.120 -0.017 0.000 0.292 262 V C 0.351 176.498 176.094 0.088 0.000 1.028 262 V CA -0.120 62.219 62.300 0.065 0.000 1.074 262 V CB -0.175 31.686 31.823 0.065 0.000 0.958 262 V HN 0.785 nan 8.190 nan 0.000 0.481 263 N N 6.047 124.801 118.700 0.089 0.000 2.476 263 N HA 0.498 5.228 4.740 -0.017 0.000 0.275 263 N C -2.379 173.226 175.510 0.158 0.000 1.190 263 N CA -1.490 51.638 53.050 0.130 0.000 0.977 263 N CB 1.234 39.801 38.487 0.133 0.000 1.200 263 N HN 0.406 nan 8.380 nan 0.000 0.515 264 P HA 0.132 nan 4.420 nan 0.000 0.277 264 P C -0.504 176.965 177.300 0.281 0.000 1.240 264 P CA -0.206 63.056 63.100 0.270 0.000 0.798 264 P CB 0.498 32.397 31.700 0.331 0.000 0.979 265 T N -1.461 113.234 114.554 0.235 0.000 2.944 265 T HA 0.573 4.913 4.350 -0.017 0.000 0.284 265 T C -0.231 174.605 174.700 0.226 0.000 1.010 265 T CA -0.812 61.390 62.100 0.170 0.000 1.025 265 T CB 1.443 70.377 68.868 0.110 0.000 1.079 265 T HN 0.331 nan 8.240 nan 0.000 0.516 266 V N 0.479 120.502 119.914 0.181 0.000 2.925 266 V HA 0.735 4.845 4.120 -0.017 0.000 0.311 266 V C -1.506 174.683 176.094 0.158 0.000 1.104 266 V CA -0.873 61.501 62.300 0.124 0.000 0.954 266 V CB 2.081 34.021 31.823 0.196 0.000 1.022 266 V HN 1.040 nan 8.190 nan 0.000 0.427 267 K N 4.551 124.987 120.400 0.060 0.000 2.426 267 K HA 0.551 4.861 4.320 -0.017 0.000 0.251 267 K C -1.899 174.684 176.600 -0.028 0.000 0.941 267 K CA -0.478 55.835 56.287 0.042 0.000 0.808 267 K CB 2.774 35.318 32.500 0.074 0.000 1.265 267 K HN 0.559 nan 8.250 nan 0.000 0.432 268 F N 2.375 122.097 119.950 -0.381 0.000 2.495 268 F HA 0.585 5.101 4.527 -0.017 0.000 0.327 268 F C -1.301 173.995 175.800 -0.840 0.000 1.103 268 F CA -0.611 57.134 58.000 -0.425 0.000 0.949 268 F CB 0.845 39.700 39.000 -0.243 0.000 1.142 268 F HN 0.385 nan 8.300 nan 0.000 0.457 269 F N 3.308 122.538 119.950 -1.200 0.000 2.613 269 F HA 0.755 5.272 4.527 -0.017 0.000 0.314 269 F C -1.058 174.102 175.800 -1.067 0.000 1.075 269 F CA -1.210 56.189 58.000 -1.002 0.000 0.945 269 F CB 2.046 40.369 39.000 -1.128 0.000 1.310 269 F HN 0.107 nan 8.300 nan 0.000 0.467 270 V N 2.309 122.021 119.914 -0.335 0.000 2.623 270 V HA 0.580 4.689 4.120 -0.017 0.000 0.304 270 V C -1.240 174.939 176.094 0.142 0.000 1.054 270 V CA -0.780 61.406 62.300 -0.190 0.000 0.882 270 V CB 1.913 33.426 31.823 -0.516 0.000 1.002 270 V HN 0.626 nan 8.190 nan 0.000 0.424 271 V N 4.471 124.531 119.914 0.243 0.000 2.628 271 V HA 0.537 4.647 4.120 -0.017 0.000 0.306 271 V C -0.083 176.216 176.094 0.341 0.000 1.045 271 V CA -0.603 61.863 62.300 0.276 0.000 0.905 271 V CB 2.013 33.943 31.823 0.179 0.000 0.997 271 V HN 0.999 nan 8.190 nan 0.000 0.436 272 N N 3.084 121.966 118.700 0.304 0.000 2.437 272 N HA 0.147 4.877 4.740 -0.017 0.000 0.243 272 N C 1.155 176.656 175.510 -0.014 0.000 1.041 272 N CA 0.287 53.414 53.050 0.129 0.000 0.940 272 N CB 1.047 39.601 38.487 0.111 0.000 1.133 272 N HN 0.888 nan 8.380 nan 0.000 0.506 273 T N -0.200 114.329 114.554 -0.041 0.000 3.155 273 T HA -0.050 4.289 4.350 -0.017 0.000 0.264 273 T C 0.520 175.163 174.700 -0.095 0.000 1.160 273 T CA 0.658 62.733 62.100 -0.042 0.000 1.075 273 T CB 0.046 68.983 68.868 0.115 0.000 0.921 273 T HN 0.402 nan 8.240 nan 0.000 0.533 274 D N 0.651 120.978 120.400 -0.122 0.000 2.349 274 D HA 0.205 4.835 4.640 -0.017 0.000 0.214 274 D C 1.106 177.348 176.300 -0.097 0.000 1.063 274 D CA 0.130 54.062 54.000 -0.113 0.000 0.847 274 D CB 0.382 41.103 40.800 -0.131 0.000 0.933 274 D HN 0.385 nan 8.370 nan 0.000 0.513 275 S N -0.032 115.609 115.700 -0.098 0.000 2.578 275 S HA 0.131 4.590 4.470 -0.017 0.000 0.231 275 S C 0.412 174.944 174.600 -0.114 0.000 0.994 275 S CA -0.452 57.709 58.200 -0.064 0.000 0.956 275 S CB 0.883 64.082 63.200 -0.001 0.000 0.870 275 S HN 0.046 nan 8.310 nan 0.000 0.494 276 L N 2.855 123.919 121.223 -0.265 0.000 2.453 276 L HA 0.253 4.582 4.340 -0.017 0.000 0.272 276 L C 1.482 178.177 176.870 -0.291 0.000 1.182 276 L CA 0.336 54.888 54.840 -0.481 0.000 0.858 276 L CB 0.261 41.554 42.059 -1.276 0.000 1.120 276 L HN 0.265 nan 8.230 nan 0.000 0.474 277 S N 0.615 116.304 115.700 -0.019 0.000 2.826 277 S HA 0.224 4.684 4.470 -0.017 0.000 0.193 277 S C 0.822 175.658 174.600 0.393 0.000 0.838 277 S CA 0.715 59.014 58.200 0.166 0.000 0.844 277 S CB 0.493 63.759 63.200 0.110 0.000 0.816 277 S HN 0.875 nan 8.310 nan 0.000 0.626 278 S N -1.288 114.614 115.700 0.336 0.000 1.815 278 S HA -0.108 4.352 4.470 -0.017 0.000 0.240 278 S C 0.542 175.232 174.600 0.150 0.000 1.262 278 S CA 0.323 58.669 58.200 0.242 0.000 1.069 278 S CB -1.641 61.649 63.200 0.150 0.000 1.331 278 S HN 0.790 nan 8.310 nan 0.000 0.597 279 V N 1.410 121.404 119.914 0.133 0.000 3.604 279 V HA 0.417 4.527 4.120 -0.017 0.000 0.277 279 V C 0.628 176.767 176.094 0.076 0.000 1.399 279 V CA 1.181 63.534 62.300 0.088 0.000 1.034 279 V CB 0.960 32.824 31.823 0.068 0.000 0.824 279 V HN 0.646 nan 8.190 nan 0.000 0.439 280 T N 0.727 115.338 114.554 0.095 0.000 2.900 280 T HA 0.403 4.743 4.350 -0.017 0.000 0.295 280 T C -0.542 174.218 174.700 0.100 0.000 1.044 280 T CA -0.494 61.649 62.100 0.071 0.000 0.995 280 T CB 1.812 70.714 68.868 0.056 0.000 1.072 280 T HN 0.004 nan 8.240 nan 0.000 0.473 281 N N 1.816 120.558 118.700 0.069 0.000 2.497 281 N HA 0.429 5.159 4.740 -0.017 0.000 0.271 281 N C 0.089 175.661 175.510 0.103 0.000 1.142 281 N CA -0.204 52.914 53.050 0.114 0.000 0.965 281 N CB 1.094 39.588 38.487 0.011 0.000 1.077 281 N HN 0.847 nan 8.380 nan 0.000 0.462 282 A N 2.120 125.016 122.820 0.127 0.000 2.540 282 A HA 0.159 4.469 4.320 -0.017 0.000 0.239 282 A C 0.263 177.898 177.584 0.085 0.000 1.061 282 A CA 0.259 52.342 52.037 0.077 0.000 0.758 282 A CB -0.069 18.954 19.000 0.039 0.000 0.991 282 A HN 0.548 nan 8.150 nan 0.000 0.502 283 T N 2.864 117.472 114.554 0.090 0.000 2.733 283 T HA 0.408 4.748 4.350 -0.017 0.000 0.294 283 T C 0.091 174.882 174.700 0.150 0.000 0.956 283 T CA -0.013 62.154 62.100 0.111 0.000 0.987 283 T CB 0.684 69.620 68.868 0.114 0.000 0.920 283 T HN 0.535 nan 8.240 nan 0.000 0.470 284 S N 3.333 119.126 115.700 0.156 0.000 2.429 284 S HA 0.428 4.888 4.470 -0.017 0.000 0.302 284 S C 0.103 174.881 174.600 0.298 0.000 1.115 284 S CA -0.702 57.627 58.200 0.215 0.000 1.095 284 S CB 0.198 63.485 63.200 0.146 0.000 0.987 284 S HN 0.462 nan 8.310 nan 0.000 0.474 285 I N 3.291 124.037 120.570 0.293 0.000 2.416 285 I HA 0.205 4.365 4.170 -0.017 0.000 0.288 285 I C 0.601 176.825 176.117 0.179 0.000 1.051 285 I CA 0.187 61.656 61.300 0.280 0.000 1.375 285 I CB 0.746 38.987 38.000 0.403 0.000 1.407 285 I HN 0.578 nan 8.210 nan 0.000 0.516 286 Q N 6.010 125.859 119.800 0.082 0.000 2.230 286 Q HA 0.582 4.912 4.340 -0.017 0.000 0.248 286 Q C -1.107 174.804 176.000 -0.149 0.000 0.915 286 Q CA -0.549 55.087 55.803 -0.278 0.000 0.900 286 Q CB 1.136 29.638 28.738 -0.393 0.000 1.229 286 Q HN 0.559 nan 8.270 nan 0.000 0.439 287 I N 3.793 124.256 120.570 -0.178 0.000 2.382 287 I HA 0.220 4.380 4.170 -0.017 0.000 0.285 287 I C 0.497 176.587 176.117 -0.045 0.000 1.007 287 I CA -0.469 60.810 61.300 -0.033 0.000 1.142 287 I CB 1.545 39.567 38.000 0.037 0.000 1.289 287 I HN 0.765 nan 8.210 nan 0.000 0.453 288 T N 3.086 117.583 114.554 -0.095 0.000 2.946 288 T HA 0.829 5.169 4.350 -0.017 0.000 0.295 288 T C 0.807 175.325 174.700 -0.304 0.000 1.143 288 T CA 0.192 62.185 62.100 -0.178 0.000 0.944 288 T CB 1.067 69.839 68.868 -0.160 0.000 1.800 288 T HN 0.905 nan 8.240 nan 0.000 0.590 289 A N 0.739 123.319 122.820 -0.399 0.000 6.182 289 A HA -0.038 4.271 4.320 -0.017 0.000 0.285 289 A C -2.481 174.553 177.584 -0.916 0.000 1.979 289 A CA 0.179 51.914 52.037 -0.504 0.000 0.740 289 A CB -2.822 15.997 19.000 -0.301 0.000 1.172 289 A HN 0.862 nan 8.150 nan 0.000 0.388 290 P HA 0.428 nan 4.420 nan 0.000 0.272 290 P C 0.914 178.005 177.300 -0.349 0.000 1.223 290 P CA 0.661 63.524 63.100 -0.396 0.000 0.784 290 P CB 0.587 32.130 31.700 -0.262 0.000 0.923 291 A N 1.941 124.629 122.820 -0.220 0.000 1.978 291 A HA -0.172 4.137 4.320 -0.017 0.000 0.220 291 A C 1.941 179.428 177.584 -0.162 0.000 1.170 291 A CA 2.211 54.141 52.037 -0.178 0.000 0.636 291 A CB -1.668 17.260 19.000 -0.120 0.000 0.810 291 A HN 0.604 nan 8.150 nan 0.000 0.448 292 S N -2.286 113.339 115.700 -0.125 0.000 2.555 292 S HA 0.063 4.523 4.470 -0.017 0.000 0.230 292 S C 1.461 175.999 174.600 -0.104 0.000 0.978 292 S CA 1.380 59.533 58.200 -0.079 0.000 0.934 292 S CB -0.081 63.145 63.200 0.043 0.000 0.766 292 S HN 0.373 nan 8.310 nan 0.000 0.533 293 M N 0.699 120.164 119.600 -0.224 0.000 2.730 293 M HA 0.501 4.971 4.480 -0.017 0.000 0.258 293 M C 1.492 177.510 176.300 -0.470 0.000 1.279 293 M CA 0.793 55.891 55.300 -0.337 0.000 1.183 293 M CB -0.268 32.008 32.600 -0.540 0.000 1.291 293 M HN 0.224 nan 8.290 nan 0.000 0.518 294 L N 0.610 121.556 121.223 -0.461 0.000 2.265 294 L HA -0.123 4.207 4.340 -0.017 0.000 0.215 294 L C 2.082 178.874 176.870 -0.130 0.000 1.117 294 L CA 0.851 55.502 54.840 -0.314 0.000 0.782 294 L CB -1.033 40.870 42.059 -0.261 0.000 0.914 294 L HN 0.402 nan 8.230 nan 0.000 0.441 295 I N -2.396 118.101 120.570 -0.123 0.000 2.657 295 I HA 0.013 4.173 4.170 -0.017 0.000 0.261 295 I C 1.084 177.178 176.117 -0.038 0.000 1.212 295 I CA 0.931 62.186 61.300 -0.075 0.000 1.453 295 I CB -0.587 37.362 38.000 -0.084 0.000 1.092 295 I HN 0.137 nan 8.210 nan 0.000 0.452 296 G N -0.051 108.744 108.800 -0.008 0.000 2.650 296 G HA2 0.252 4.202 3.960 -0.017 0.000 0.310 296 G HA3 0.252 4.202 3.960 -0.017 0.000 0.310 296 G C -1.839 173.123 174.900 0.103 0.000 1.270 296 G CA -0.566 44.548 45.100 0.024 0.000 0.810 296 G HN 0.037 nan 8.290 nan 0.000 0.493 297 D N 1.273 121.687 120.400 0.023 0.000 2.414 297 D HA 0.457 5.087 4.640 -0.017 0.000 0.242 297 D C 0.366 176.626 176.300 -0.067 0.000 1.129 297 D CA 0.683 54.645 54.000 -0.063 0.000 0.885 297 D CB 0.471 41.195 40.800 -0.127 0.000 1.198 297 D HN 0.547 nan 8.370 nan 0.000 0.437 298 H N -0.677 118.256 119.070 -0.228 0.000 2.918 298 H HA 0.453 4.999 4.556 -0.017 0.000 0.303 298 H C -1.375 173.839 175.328 -0.191 0.000 1.380 298 H CA -0.778 55.143 56.048 -0.212 0.000 1.134 298 H CB 0.352 30.118 29.762 0.006 0.000 1.842 298 H HN 0.313 nan 8.280 nan 0.000 0.533 299 Y N -0.269 120.264 120.300 0.387 0.000 2.581 299 Y HA 0.442 4.982 4.550 -0.017 0.000 0.345 299 Y C -0.603 175.604 175.900 0.512 0.000 1.036 299 Y CA -1.147 57.190 58.100 0.394 0.000 1.042 299 Y CB 1.895 40.425 38.460 0.117 0.000 1.289 299 Y HN 0.496 nan 8.280 nan 0.000 0.471 300 L N 2.496 124.089 121.223 0.616 0.000 2.264 300 L HA 0.467 4.796 4.340 -0.017 0.000 0.289 300 L C 0.299 177.229 176.870 0.099 0.000 1.044 300 L CA -0.331 54.509 54.840 -0.001 0.000 0.807 300 L CB 0.588 42.585 42.059 -0.104 0.000 1.192 300 L HN 0.977 nan 8.230 nan 0.000 0.425 301 C N 1.224 120.437 119.300 -0.146 0.000 3.392 301 C HA 0.539 4.989 4.460 -0.017 0.000 0.301 301 C C 0.147 174.998 174.990 -0.231 0.000 1.354 301 C CA -0.405 58.458 59.018 -0.259 0.000 1.732 301 C CB -0.700 26.942 27.740 -0.162 0.000 2.269 301 C HN 0.847 nan 8.230 nan 0.000 0.673 302 D N 0.145 120.439 120.400 -0.176 0.000 2.745 302 D HA 0.365 4.995 4.640 -0.017 0.000 0.221 302 D C -1.807 174.243 176.300 -0.417 0.000 1.237 302 D CA 0.133 54.049 54.000 -0.140 0.000 0.781 302 D CB 2.527 43.226 40.800 -0.168 0.000 1.575 302 D HN 0.368 nan 8.370 nan 0.000 0.482 303 V N 1.411 121.009 119.914 -0.528 0.000 2.668 303 V HA 0.805 4.915 4.120 -0.017 0.000 0.304 303 V C -1.640 174.080 176.094 -0.624 0.000 1.071 303 V CA 0.041 61.821 62.300 -0.866 0.000 0.894 303 V CB 1.885 32.797 31.823 -1.519 0.000 1.008 303 V HN 0.600 nan 8.190 nan 0.000 0.425 304 T N 6.268 120.537 114.554 -0.475 0.000 3.011 304 T HA 0.413 4.753 4.350 -0.017 0.000 0.303 304 T C -1.036 173.531 174.700 -0.222 0.000 0.997 304 T CA -0.173 61.803 62.100 -0.207 0.000 1.007 304 T CB 0.912 69.727 68.868 -0.088 0.000 1.017 304 T HN 0.780 nan 8.240 nan 0.000 0.443 305 W N 1.977 123.224 121.300 -0.087 0.000 2.190 305 W HA 0.482 5.132 4.660 -0.017 0.000 0.330 305 W C 1.155 177.550 176.519 -0.206 0.000 1.299 305 W CA -0.223 57.062 57.345 -0.099 0.000 1.215 305 W CB 0.581 30.064 29.460 0.039 0.000 1.147 305 W HN 0.841 nan 8.180 nan 0.000 0.563 306 A N 1.705 124.417 122.820 -0.180 0.000 1.963 306 A HA 0.233 4.543 4.320 -0.017 0.000 0.207 306 A C 0.812 178.340 177.584 -0.094 0.000 1.243 306 A CA 1.490 53.165 52.037 -0.603 0.000 0.728 306 A CB -0.323 17.874 19.000 -1.337 0.000 0.895 306 A HN 0.539 nan 8.150 nan 0.000 0.467 307 T N -5.683 108.934 114.554 0.105 0.000 2.647 307 T HA 0.322 4.662 4.350 -0.017 0.000 0.295 307 T C 0.113 174.988 174.700 0.292 0.000 1.126 307 T CA -0.345 61.862 62.100 0.178 0.000 1.040 307 T CB 0.592 69.548 68.868 0.146 0.000 1.472 307 T HN -0.058 nan 8.240 nan 0.000 0.500 308 Q N 0.365 120.301 119.800 0.226 0.000 2.234 308 Q HA -0.014 4.315 4.340 -0.017 0.000 0.206 308 Q C 0.864 177.124 176.000 0.434 0.000 0.980 308 Q CA 1.608 57.550 55.803 0.232 0.000 0.869 308 Q CB -0.160 28.676 28.738 0.165 0.000 0.912 308 Q HN 0.828 nan 8.270 nan 0.000 0.436 309 E N -0.453 120.010 120.200 0.439 0.000 2.810 309 E HA 0.193 4.532 4.350 -0.017 0.000 0.214 309 E C -0.208 176.689 176.600 0.495 0.000 0.980 309 E CA -0.169 56.520 56.400 0.481 0.000 1.159 309 E CB 1.091 30.970 29.700 0.297 0.000 1.047 309 E HN -0.047 nan 8.360 nan 0.000 0.484 310 R N 1.707 122.501 120.500 0.490 0.000 2.532 310 R HA 0.534 4.864 4.340 -0.017 0.000 0.297 310 R C -1.618 174.724 176.300 0.071 0.000 0.984 310 R CA -0.464 55.799 56.100 0.271 0.000 0.884 310 R CB 1.290 31.636 30.300 0.076 0.000 1.182 310 R HN 0.087 nan 8.270 nan 0.000 0.442 311 I N 2.925 123.373 120.570 -0.204 0.000 2.608 311 I HA 0.388 4.548 4.170 -0.017 0.000 0.295 311 I C -0.807 175.007 176.117 -0.505 0.000 1.049 311 I CA -0.472 60.418 61.300 -0.683 0.000 1.063 311 I CB 2.215 39.352 38.000 -1.439 0.000 1.248 311 I HN 0.786 nan 8.210 nan 0.000 0.424 312 S N 7.307 122.704 115.700 -0.504 0.000 2.501 312 S HA 0.778 5.238 4.470 -0.017 0.000 0.301 312 S C -1.058 173.238 174.600 -0.506 0.000 1.096 312 S CA -0.689 57.296 58.200 -0.358 0.000 1.063 312 S CB 1.896 65.004 63.200 -0.152 0.000 1.042 312 S HN 0.460 nan 8.310 nan 0.000 0.494 313 L N 1.832 122.773 121.223 -0.470 0.000 2.381 313 L HA 0.562 4.892 4.340 -0.017 0.000 0.268 313 L C -0.507 176.067 176.870 -0.493 0.000 0.997 313 L CA -0.176 54.271 54.840 -0.654 0.000 0.818 313 L CB 2.164 43.759 42.059 -0.773 0.000 1.310 313 L HN 0.870 nan 8.230 nan 0.000 0.416 314 Q N 1.903 121.349 119.800 -0.591 0.000 2.330 314 Q HA 0.445 4.775 4.340 -0.017 0.000 0.269 314 Q C -1.732 174.009 176.000 -0.431 0.000 1.022 314 Q CA -0.477 55.108 55.803 -0.364 0.000 0.796 314 Q CB 2.063 30.647 28.738 -0.256 0.000 1.271 314 Q HN 0.517 nan 8.270 nan 0.000 0.450 315 W N 2.455 123.715 121.300 -0.066 0.000 2.647 315 W HA 0.674 5.323 4.660 -0.017 0.000 0.353 315 W C -0.862 175.692 176.519 0.059 0.000 1.080 315 W CA -0.668 56.690 57.345 0.022 0.000 1.208 315 W CB 1.077 30.537 29.460 0.000 0.000 1.396 315 W HN 0.379 nan 8.180 nan 0.000 0.573 316 L N 2.016 123.486 121.223 0.412 0.000 2.464 316 L HA 0.531 4.861 4.340 -0.017 0.000 0.266 316 L C -0.215 176.843 176.870 0.314 0.000 0.965 316 L CA -1.073 53.955 54.840 0.314 0.000 0.833 316 L CB 1.378 43.603 42.059 0.275 0.000 1.296 316 L HN 0.420 nan 8.230 nan 0.000 0.405 317 R N 2.309 122.952 120.500 0.238 0.000 2.738 317 R HA 0.214 4.544 4.340 -0.017 0.000 0.268 317 R C 1.006 177.332 176.300 0.044 0.000 1.062 317 R CA -0.069 56.113 56.100 0.137 0.000 1.158 317 R CB 0.463 30.834 30.300 0.119 0.000 1.046 317 R HN 0.640 nan 8.270 nan 0.000 0.493 318 R N 1.120 121.559 120.500 -0.103 0.000 2.127 318 R HA -0.079 4.251 4.340 -0.017 0.000 0.238 318 R C 0.368 176.692 176.300 0.040 0.000 1.134 318 R CA 1.157 57.164 56.100 -0.154 0.000 0.975 318 R CB 0.163 30.363 30.300 -0.166 0.000 0.865 318 R HN 0.384 nan 8.270 nan 0.000 0.447 319 I N 2.946 123.539 120.570 0.038 0.000 2.278 319 I HA 0.010 4.169 4.170 -0.017 0.000 0.296 319 I C 0.112 176.283 176.117 0.089 0.000 1.121 319 I CA 0.341 61.672 61.300 0.052 0.000 1.267 319 I CB 0.832 38.851 38.000 0.032 0.000 1.447 319 I HN 0.282 nan 8.210 nan 0.000 0.509 320 Q N 3.720 123.575 119.800 0.093 0.000 2.271 320 Q HA -0.054 4.276 4.340 -0.017 0.000 0.206 320 Q C 0.923 176.999 176.000 0.128 0.000 0.860 320 Q CA 0.041 55.914 55.803 0.116 0.000 0.991 320 Q CB -0.110 28.662 28.738 0.055 0.000 1.232 320 Q HN 0.467 nan 8.270 nan 0.000 0.410 321 N N -0.386 118.391 118.700 0.128 0.000 2.387 321 N HA -0.031 4.699 4.740 -0.017 0.000 0.176 321 N C -0.907 174.715 175.510 0.187 0.000 1.022 321 N CA 0.568 53.692 53.050 0.122 0.000 0.883 321 N CB 0.506 39.053 38.487 0.099 0.000 1.019 321 N HN 0.312 nan 8.380 nan 0.000 0.435 322 Y N 0.515 120.840 120.300 0.042 0.000 2.406 322 Y HA 0.477 5.016 4.550 -0.017 0.000 0.340 322 Y C -0.858 175.079 175.900 0.063 0.000 0.975 322 Y CA -1.092 57.033 58.100 0.042 0.000 1.056 322 Y CB 1.284 39.759 38.460 0.026 0.000 1.210 322 Y HN -0.059 nan 8.280 nan 0.000 0.448 323 S N 4.546 120.147 115.700 -0.165 0.000 2.548 323 S HA 0.895 5.355 4.470 -0.017 0.000 0.286 323 S C -1.918 172.553 174.600 -0.215 0.000 1.098 323 S CA -0.722 57.431 58.200 -0.078 0.000 0.930 323 S CB 1.760 64.952 63.200 -0.013 0.000 1.070 323 S HN 0.492 nan 8.310 nan 0.000 0.480 324 V N 3.282 123.169 119.914 -0.044 0.000 2.656 324 V HA 0.573 4.683 4.120 -0.017 0.000 0.307 324 V C -0.466 175.656 176.094 0.048 0.000 1.051 324 V CA -0.707 61.573 62.300 -0.033 0.000 0.893 324 V CB 1.891 33.723 31.823 0.015 0.000 0.999 324 V HN 1.036 nan 8.190 nan 0.000 0.426 325 M N 3.640 123.247 119.600 0.012 0.000 2.227 325 M HA 0.535 5.005 4.480 -0.017 0.000 0.335 325 M C -1.402 174.922 176.300 0.041 0.000 1.053 325 M CA -0.339 54.952 55.300 -0.015 0.000 0.973 325 M CB 1.255 33.794 32.600 -0.103 0.000 1.623 325 M HN 0.595 nan 8.290 nan 0.000 0.434 326 D N 5.173 125.584 120.400 0.019 0.000 2.185 326 D HA 0.523 5.153 4.640 -0.017 0.000 0.247 326 D C -0.962 175.324 176.300 -0.023 0.000 1.027 326 D CA -0.037 53.978 54.000 0.025 0.000 0.861 326 D CB 1.935 42.767 40.800 0.053 0.000 1.202 326 D HN 0.619 nan 8.370 nan 0.000 0.453 327 I N 2.487 123.075 120.570 0.028 0.000 2.466 327 I HA 0.231 4.391 4.170 -0.017 0.000 0.279 327 I C -0.589 175.551 176.117 0.039 0.000 1.033 327 I CA -0.600 60.718 61.300 0.030 0.000 1.123 327 I CB 1.102 39.188 38.000 0.144 0.000 1.237 327 I HN 0.140 nan 8.210 nan 0.000 0.460 328 c N 3.587 122.198 118.600 0.018 0.000 2.319 328 c HA 0.504 5.064 4.570 -0.017 0.000 0.335 328 c C -0.018 174.236 174.090 0.272 0.000 1.274 328 c CA -0.733 55.673 56.329 0.128 0.000 1.806 328 c CB 0.554 43.144 42.510 0.134 0.000 2.329 328 c HN 0.559 nan 8.230 nan 0.000 0.524 329 D N 0.538 121.057 120.400 0.198 0.000 2.163 329 D HA 0.286 4.916 4.640 -0.017 0.000 0.248 329 D C -0.500 175.710 176.300 -0.150 0.000 1.035 329 D CA -0.204 53.857 54.000 0.103 0.000 0.872 329 D CB 0.764 41.582 40.800 0.030 0.000 1.183 329 D HN 0.598 nan 8.370 nan 0.000 0.445 330 Y N 1.608 121.475 120.300 -0.723 0.000 2.377 330 Y HA 0.146 4.686 4.550 -0.017 0.000 0.330 330 Y C -0.033 175.536 175.900 -0.552 0.000 1.108 330 Y CA -0.164 57.171 58.100 -1.274 0.000 1.308 330 Y CB 0.659 38.227 38.460 -1.487 0.000 1.216 330 Y HN 0.170 nan 8.280 nan 0.000 0.518 331 D N 5.529 125.296 120.400 -1.055 0.000 2.428 331 D HA 0.049 4.679 4.640 -0.017 0.000 0.221 331 D C 0.863 176.552 176.300 -1.019 0.000 1.123 331 D CA -0.024 53.530 54.000 -0.742 0.000 0.869 331 D CB 0.973 41.513 40.800 -0.433 0.000 1.032 331 D HN 0.838 nan 8.370 nan 0.000 0.506 332 E N 1.646 121.406 120.200 -0.734 0.000 2.114 332 E HA -0.188 4.152 4.350 -0.017 0.000 0.199 332 E C 1.282 177.726 176.600 -0.261 0.000 1.008 332 E CA 1.514 57.659 56.400 -0.426 0.000 0.810 332 E CB 0.189 29.819 29.700 -0.116 0.000 0.739 332 E HN 0.297 nan 8.360 nan 0.000 0.456 333 S N -1.315 114.252 115.700 -0.223 0.000 2.503 333 S HA 0.107 4.567 4.470 -0.017 0.000 0.217 333 S C 1.627 176.157 174.600 -0.118 0.000 0.999 333 S CA 0.519 58.644 58.200 -0.125 0.000 0.914 333 S CB 0.362 63.508 63.200 -0.089 0.000 0.782 333 S HN 0.125 nan 8.310 nan 0.000 0.520 334 S N -0.135 115.455 115.700 -0.183 0.000 2.506 334 S HA 0.364 4.824 4.470 -0.017 0.000 0.219 334 S C 1.613 176.152 174.600 -0.102 0.000 1.031 334 S CA 0.440 58.567 58.200 -0.123 0.000 0.911 334 S CB 0.516 63.641 63.200 -0.125 0.000 0.812 334 S HN 0.626 nan 8.310 nan 0.000 0.497 335 G N 2.115 110.786 108.800 -0.215 0.000 2.189 335 G HA2 -0.293 3.656 3.960 -0.017 0.000 0.267 335 G HA3 -0.293 3.656 3.960 -0.017 0.000 0.267 335 G C 0.208 175.140 174.900 0.053 0.000 0.975 335 G CA 0.388 45.484 45.100 -0.008 0.000 0.644 335 G HN 0.427 nan 8.290 nan 0.000 0.537 336 R N -1.636 118.797 120.500 -0.113 0.000 2.549 336 R HA 0.595 4.925 4.340 -0.017 0.000 0.259 336 R C -0.756 175.461 176.300 -0.139 0.000 1.095 336 R CA -0.653 55.452 56.100 0.009 0.000 1.148 336 R CB 0.619 30.929 30.300 0.016 0.000 1.181 336 R HN 0.173 nan 8.270 nan 0.000 0.571 337 W N 0.568 121.882 121.300 0.023 0.000 2.362 337 W HA 0.362 5.012 4.660 -0.017 0.000 0.316 337 W C -0.608 175.896 176.519 -0.025 0.000 1.024 337 W CA -0.380 56.969 57.345 0.007 0.000 1.270 337 W CB 0.956 30.416 29.460 0.001 0.000 1.273 337 W HN 0.409 nan 8.180 nan 0.000 0.424 338 N N 2.358 121.124 118.700 0.110 0.000 2.426 338 N HA 0.412 5.141 4.740 -0.017 0.000 0.275 338 N C -1.142 174.413 175.510 0.076 0.000 1.019 338 N CA -0.531 52.554 53.050 0.059 0.000 0.941 338 N CB 0.899 39.383 38.487 -0.005 0.000 1.123 338 N HN 0.209 nan 8.380 nan 0.000 0.486 339 c N 3.554 122.184 118.600 0.051 0.000 2.242 339 c HA 0.285 4.845 4.570 -0.017 0.000 0.317 339 c C 0.556 174.655 174.090 0.015 0.000 1.087 339 c CA -0.999 55.352 56.329 0.037 0.000 1.535 339 c CB -1.351 41.171 42.510 0.021 0.000 1.893 339 c HN 0.638 nan 8.230 nan 0.000 0.426 340 L N 3.075 124.310 121.223 0.020 0.000 2.597 340 L HA 0.074 4.403 4.340 -0.017 0.000 0.271 340 L C 0.713 177.581 176.870 -0.004 0.000 1.157 340 L CA 0.272 55.116 54.840 0.006 0.000 0.928 340 L CB 0.496 42.563 42.059 0.012 0.000 1.216 340 L HN 0.561 nan 8.230 nan 0.000 0.481 341 V N 5.874 125.777 119.914 -0.019 0.000 2.458 341 V HA 0.286 4.396 4.120 -0.017 0.000 0.287 341 V C 0.910 176.982 176.094 -0.037 0.000 1.009 341 V CA 1.187 63.468 62.300 -0.032 0.000 1.091 341 V CB 0.342 32.144 31.823 -0.035 0.000 0.960 341 V HN 1.077 nan 8.190 nan 0.000 0.476 342 A N 5.559 128.345 122.820 -0.057 0.000 3.042 342 A HA -0.011 4.299 4.320 -0.017 0.000 0.205 342 A C 1.447 178.977 177.584 -0.090 0.000 2.174 342 A CA 0.427 52.424 52.037 -0.066 0.000 1.926 342 A CB -0.792 18.190 19.000 -0.031 0.000 0.286 342 A HN 0.665 nan 8.150 nan 0.000 0.551 343 R N 0.340 120.815 120.500 -0.041 0.000 2.393 343 R HA 0.237 4.567 4.340 -0.017 0.000 0.244 343 R C 0.033 176.340 176.300 0.010 0.000 0.920 343 R CA -0.023 56.105 56.100 0.046 0.000 1.076 343 R CB 0.355 30.730 30.300 0.124 0.000 1.119 343 R HN 0.619 nan 8.270 nan 0.000 0.524 344 Q N 0.516 120.241 119.800 -0.125 0.000 2.267 344 Q HA 0.142 4.472 4.340 -0.017 0.000 0.255 344 Q C -1.019 174.815 176.000 -0.277 0.000 0.923 344 Q CA 0.060 55.811 55.803 -0.086 0.000 0.925 344 Q CB 1.223 29.924 28.738 -0.062 0.000 1.195 344 Q HN 0.187 nan 8.270 nan 0.000 0.417 345 H N 1.570 120.642 119.070 0.004 0.000 2.589 345 H HA 0.398 4.944 4.556 -0.017 0.000 0.335 345 H C -0.632 174.665 175.328 -0.053 0.000 1.019 345 H CA -0.429 55.628 56.048 0.016 0.000 1.213 345 H CB 0.966 30.757 29.762 0.048 0.000 1.472 345 H HN 0.453 nan 8.280 nan 0.000 0.508 346 I N 2.159 122.729 120.570 -0.000 0.000 2.396 346 I HA 0.209 4.368 4.170 -0.017 0.000 0.292 346 I C 0.170 176.228 176.117 -0.098 0.000 0.999 346 I CA -0.098 61.110 61.300 -0.154 0.000 1.310 346 I CB 1.114 38.989 38.000 -0.209 0.000 1.404 346 I HN 0.570 nan 8.210 nan 0.000 0.496 347 E N 8.110 128.201 120.200 -0.182 0.000 2.265 347 E HA 0.532 4.872 4.350 -0.017 0.000 0.262 347 E C -1.247 175.279 176.600 -0.124 0.000 0.889 347 E CA -0.648 55.703 56.400 -0.081 0.000 0.789 347 E CB 1.410 31.090 29.700 -0.033 0.000 1.221 347 E HN 0.615 nan 8.360 nan 0.000 0.414 348 M N 1.023 120.593 119.600 -0.050 0.000 2.704 348 M HA 0.671 5.141 4.480 -0.017 0.000 0.284 348 M C -0.963 175.355 176.300 0.031 0.000 1.275 348 M CA -0.973 54.335 55.300 0.014 0.000 0.811 348 M CB 2.267 34.932 32.600 0.109 0.000 1.741 348 M HN 0.218 nan 8.290 nan 0.000 0.458 349 S N -0.741 114.980 115.700 0.036 0.000 2.541 349 S HA 0.576 5.036 4.470 -0.017 0.000 0.280 349 S C 0.164 174.764 174.600 -0.000 0.000 1.112 349 S CA 0.034 58.234 58.200 0.001 0.000 0.925 349 S CB 1.850 65.019 63.200 -0.051 0.000 1.067 349 S HN 0.929 nan 8.310 nan 0.000 0.479 350 T N -0.275 114.277 114.554 -0.004 0.000 3.014 350 T HA 0.073 4.413 4.350 -0.017 0.000 0.250 350 T C 1.493 176.178 174.700 -0.025 0.000 1.060 350 T CA 0.919 63.016 62.100 -0.005 0.000 1.040 350 T CB -0.412 68.459 68.868 0.005 0.000 0.971 350 T HN 0.673 nan 8.240 nan 0.000 0.497 351 T N -1.900 112.634 114.554 -0.034 0.000 3.037 351 T HA 0.598 4.938 4.350 -0.017 0.000 0.252 351 T C 1.220 175.785 174.700 -0.225 0.000 1.073 351 T CA 0.435 62.515 62.100 -0.034 0.000 1.091 351 T CB 0.315 69.236 68.868 0.088 0.000 0.935 351 T HN 0.614 nan 8.240 nan 0.000 0.488 352 G N 0.449 108.984 108.800 -0.443 0.000 2.795 352 G HA2 0.470 4.420 3.960 -0.017 0.000 0.127 352 G HA3 0.470 4.420 3.960 -0.017 0.000 0.127 352 G C -1.671 172.982 174.900 -0.411 0.000 1.203 352 G CA -0.495 44.153 45.100 -0.753 0.000 1.145 352 G HN 0.506 nan 8.290 nan 0.000 0.580 353 W N 0.225 121.270 121.300 -0.426 0.000 2.367 353 W HA 0.766 5.416 4.660 -0.016 0.000 0.369 353 W C -0.446 176.023 176.519 -0.082 0.000 1.276 353 W CA -1.360 55.859 57.345 -0.210 0.000 1.415 353 W CB 0.824 30.126 29.460 -0.263 0.000 1.306 353 W HN 0.273 nan 8.180 nan 0.000 0.669 354 V N 3.322 123.318 119.914 0.136 0.000 2.432 354 V HA 0.684 4.794 4.120 -0.017 0.000 0.275 354 V C 0.819 177.008 176.094 0.158 0.000 1.043 354 V CA 0.374 62.718 62.300 0.075 0.000 0.925 354 V CB -0.086 31.779 31.823 0.070 0.000 0.985 354 V HN 1.321 nan 8.190 nan 0.000 0.466 355 G N 5.146 113.993 108.800 0.077 0.000 2.795 355 G HA2 -0.192 3.758 3.960 -0.017 0.000 0.664 355 G HA3 -0.192 3.758 3.960 -0.017 0.000 0.664 355 G C 0.338 175.357 174.900 0.199 0.000 1.381 355 G CA 0.168 45.340 45.100 0.120 0.000 0.853 355 G HN 0.651 nan 8.290 nan 0.000 0.545 356 R N -0.765 119.835 120.500 0.167 0.000 2.066 356 R HA 0.123 4.453 4.340 -0.017 0.000 0.232 356 R C 1.910 178.194 176.300 -0.028 0.000 1.131 356 R CA 2.118 58.281 56.100 0.105 0.000 0.955 356 R CB -0.071 30.298 30.300 0.115 0.000 0.851 356 R HN 0.467 nan 8.270 nan 0.000 0.432 357 F N -0.921 119.164 119.950 0.225 0.000 2.834 357 F HA 0.261 4.778 4.527 -0.017 0.000 0.332 357 F C 0.225 176.044 175.800 0.032 0.000 1.056 357 F CA -0.421 57.649 58.000 0.117 0.000 1.178 357 F CB 0.812 39.878 39.000 0.110 0.000 1.037 357 F HN -0.106 nan 8.300 nan 0.000 0.580 358 R N -1.543 119.085 120.500 0.213 0.000 2.828 358 R HA 0.373 4.703 4.340 -0.017 0.000 0.280 358 R C -3.353 173.003 176.300 0.093 0.000 1.020 358 R CA -1.826 54.331 56.100 0.095 0.000 0.855 358 R CB 0.013 30.314 30.300 0.003 0.000 1.278 358 R HN -0.363 nan 8.270 nan 0.000 0.495 359 P HA -0.016 nan 4.420 nan 0.000 0.265 359 P C -0.236 177.075 177.300 0.019 0.000 1.193 359 P CA 0.115 63.229 63.100 0.023 0.000 0.765 359 P CB 0.781 32.469 31.700 -0.020 0.000 0.823 360 S N 1.831 117.553 115.700 0.037 0.000 2.589 360 S HA 0.103 4.562 4.470 -0.017 0.000 0.265 360 S C 0.125 174.720 174.600 -0.008 0.000 1.342 360 S CA -0.603 57.630 58.200 0.055 0.000 1.005 360 S CB 0.232 63.487 63.200 0.093 0.000 0.909 360 S HN 0.566 nan 8.310 nan 0.000 0.555 361 E N 1.288 121.494 120.200 0.009 0.000 2.313 361 E HA 0.536 4.876 4.350 -0.017 0.000 0.272 361 E C -2.610 173.911 176.600 -0.130 0.000 1.038 361 E CA -2.192 54.157 56.400 -0.085 0.000 0.863 361 E CB 0.605 30.260 29.700 -0.075 0.000 1.060 361 E HN 0.480 nan 8.360 nan 0.000 0.402 362 P HA 0.167 nan 4.420 nan 0.000 0.284 362 P C -1.062 176.073 177.300 -0.275 0.000 1.258 362 P CA -0.448 62.438 63.100 -0.357 0.000 0.824 362 P CB 0.850 31.985 31.700 -0.943 0.000 1.038 363 H N 1.958 121.031 119.070 0.005 0.000 2.792 363 H HA 0.283 4.829 4.556 -0.017 0.000 0.298 363 H C -0.122 175.350 175.328 0.239 0.000 1.042 363 H CA -0.318 55.834 56.048 0.174 0.000 1.300 363 H CB 0.168 30.040 29.762 0.184 0.000 1.431 363 H HN 0.295 nan 8.280 nan 0.000 0.496 364 F N 1.646 121.780 119.950 0.306 0.000 2.406 364 F HA 0.058 4.575 4.527 -0.017 0.000 0.327 364 F C 1.663 177.661 175.800 0.329 0.000 1.153 364 F CA -0.282 57.919 58.000 0.335 0.000 1.218 364 F CB 0.759 39.895 39.000 0.226 0.000 1.215 364 F HN 0.318 nan 8.300 nan 0.000 0.570 365 T N 0.018 114.884 114.554 0.521 0.000 2.882 365 T HA 0.202 4.542 4.350 -0.017 0.000 0.287 365 T C 1.047 175.940 174.700 0.322 0.000 1.014 365 T CA -0.829 61.504 62.100 0.389 0.000 1.049 365 T CB 0.981 70.063 68.868 0.356 0.000 1.001 365 T HN 0.565 nan 8.240 nan 0.000 0.525 366 L N 1.426 122.792 121.223 0.239 0.000 2.064 366 L HA -0.183 4.147 4.340 -0.017 0.000 0.216 366 L C 2.122 179.102 176.870 0.182 0.000 1.077 366 L CA 2.542 57.496 54.840 0.191 0.000 0.766 366 L CB -0.909 41.237 42.059 0.146 0.000 0.890 366 L HN 0.966 nan 8.230 nan 0.000 0.435 367 D N -1.689 118.821 120.400 0.184 0.000 2.355 367 D HA 0.059 4.688 4.640 -0.017 0.000 0.218 367 D C 1.665 178.076 176.300 0.185 0.000 1.004 367 D CA 0.817 54.915 54.000 0.163 0.000 0.880 367 D CB -0.503 40.382 40.800 0.142 0.000 0.911 367 D HN 0.446 nan 8.370 nan 0.000 0.528 368 G N 0.603 109.557 108.800 0.257 0.000 2.155 368 G HA2 -0.388 3.562 3.960 -0.017 0.000 0.257 368 G HA3 -0.388 3.562 3.960 -0.017 0.000 0.257 368 G C 0.718 175.844 174.900 0.377 0.000 0.983 368 G CA 0.452 45.736 45.100 0.307 0.000 0.676 368 G HN 0.518 nan 8.290 nan 0.000 0.528 369 N N -0.026 118.850 118.700 0.293 0.000 2.412 369 N HA 0.307 5.036 4.740 -0.017 0.000 0.184 369 N C 0.664 176.288 175.510 0.190 0.000 1.101 369 N CA 0.606 53.791 53.050 0.225 0.000 0.881 369 N CB 0.269 38.841 38.487 0.142 0.000 0.969 369 N HN 0.657 nan 8.380 nan 0.000 0.459 370 S N -0.089 115.755 115.700 0.241 0.000 2.570 370 S HA 0.682 5.142 4.470 -0.017 0.000 0.270 370 S C -1.203 173.445 174.600 0.079 0.000 1.149 370 S CA -1.092 57.107 58.200 -0.001 0.000 0.837 370 S CB 1.410 64.561 63.200 -0.082 0.000 1.124 370 S HN 0.175 nan 8.310 nan 0.000 0.465 371 F N -1.674 118.138 119.950 -0.229 0.000 2.686 371 F HA 0.854 5.371 4.527 -0.017 0.000 0.311 371 F C -2.229 173.455 175.800 -0.193 0.000 1.128 371 F CA -1.554 56.264 58.000 -0.303 0.000 0.946 371 F CB 0.544 38.915 39.000 -1.049 0.000 1.336 371 F HN 0.596 nan 8.300 nan 0.000 0.457 372 Y N 0.986 121.459 120.300 0.289 0.000 2.429 372 Y HA 0.718 5.258 4.550 -0.017 0.000 0.342 372 Y C -0.615 175.456 175.900 0.284 0.000 1.004 372 Y CA -1.036 57.225 58.100 0.268 0.000 1.075 372 Y CB 2.236 40.787 38.460 0.152 0.000 1.214 372 Y HN 0.727 nan 8.280 nan 0.000 0.455 373 K N 0.878 121.515 120.400 0.396 0.000 2.572 373 K HA 0.583 4.893 4.320 -0.017 0.000 0.263 373 K C -1.906 174.836 176.600 0.236 0.000 0.932 373 K CA -0.675 55.773 56.287 0.268 0.000 0.838 373 K CB 1.295 33.856 32.500 0.101 0.000 1.366 373 K HN 0.570 nan 8.250 nan 0.000 0.425 374 I N 4.261 124.940 120.570 0.182 0.000 2.452 374 I HA 0.260 4.420 4.170 -0.017 0.000 0.287 374 I C 0.192 176.402 176.117 0.155 0.000 1.079 374 I CA -0.322 61.071 61.300 0.155 0.000 1.387 374 I CB -0.028 38.039 38.000 0.113 0.000 1.404 374 I HN 0.634 nan 8.210 nan 0.000 0.522 375 I N 2.081 122.778 120.570 0.212 0.000 2.969 375 I HA 0.501 4.661 4.170 -0.017 0.000 0.307 375 I C -0.165 176.080 176.117 0.214 0.000 1.149 375 I CA -0.784 60.634 61.300 0.198 0.000 1.008 375 I CB 2.126 40.264 38.000 0.229 0.000 1.232 375 I HN 0.346 nan 8.210 nan 0.000 0.435 376 S N 2.689 118.452 115.700 0.105 0.000 2.549 376 S HA 0.191 4.651 4.470 -0.017 0.000 0.283 376 S C 0.241 174.882 174.600 0.067 0.000 1.320 376 S CA -0.205 58.002 58.200 0.012 0.000 1.058 376 S CB -0.149 63.001 63.200 -0.082 0.000 0.882 376 S HN 0.695 nan 8.310 nan 0.000 0.498 377 N N 2.010 120.657 118.700 -0.089 0.000 2.263 377 N HA 0.057 4.787 4.740 -0.017 0.000 0.239 377 N C 1.064 176.504 175.510 -0.117 0.000 1.317 377 N CA -0.101 52.791 53.050 -0.263 0.000 0.909 377 N CB 0.267 38.578 38.487 -0.294 0.000 1.171 377 N HN 0.774 nan 8.380 nan 0.000 0.492 378 E N 0.336 120.451 120.200 -0.142 0.000 2.216 378 E HA -0.063 4.277 4.350 -0.017 0.000 0.192 378 E C 0.894 177.451 176.600 -0.071 0.000 0.988 378 E CA 1.099 57.462 56.400 -0.062 0.000 0.834 378 E CB 0.046 29.714 29.700 -0.054 0.000 0.772 378 E HN 0.603 nan 8.360 nan 0.000 0.479 379 E N -1.388 118.760 120.200 -0.086 0.000 2.489 379 E HA 0.050 4.390 4.350 -0.017 0.000 0.193 379 E C 0.572 177.160 176.600 -0.019 0.000 1.057 379 E CA 0.499 56.888 56.400 -0.018 0.000 0.866 379 E CB 0.023 29.735 29.700 0.019 0.000 0.916 379 E HN 0.385 nan 8.360 nan 0.000 0.500 380 G N 0.411 109.144 108.800 -0.113 0.000 2.176 380 G HA2 -0.284 3.666 3.960 -0.017 0.000 0.253 380 G HA3 -0.284 3.666 3.960 -0.017 0.000 0.253 380 G C -0.301 174.360 174.900 -0.398 0.000 0.979 380 G CA 0.305 45.245 45.100 -0.266 0.000 0.641 380 G HN 0.246 nan 8.290 nan 0.000 0.530 381 Y N 0.715 120.879 120.300 -0.227 0.000 2.323 381 Y HA 0.645 5.185 4.550 -0.017 0.000 0.331 381 Y C 1.227 176.946 175.900 -0.301 0.000 1.092 381 Y CA -0.755 57.186 58.100 -0.264 0.000 1.150 381 Y CB 0.870 39.182 38.460 -0.246 0.000 1.200 381 Y HN 0.081 nan 8.280 nan 0.000 0.472 382 R N 3.654 124.006 120.500 -0.247 0.000 2.316 382 R HA 0.270 4.600 4.340 -0.017 0.000 0.314 382 R C -0.735 175.267 176.300 -0.497 0.000 1.069 382 R CA -0.002 55.962 56.100 -0.227 0.000 0.959 382 R CB 0.134 30.354 30.300 -0.133 0.000 0.987 382 R HN 0.666 nan 8.270 nan 0.000 0.446 383 H N 1.627 120.664 119.070 -0.055 0.000 2.977 383 H HA 0.328 4.874 4.556 -0.017 0.000 0.350 383 H C -0.187 175.214 175.328 0.122 0.000 1.238 383 H CA -0.911 55.082 56.048 -0.091 0.000 1.124 383 H CB 1.507 31.107 29.762 -0.270 0.000 1.866 383 H HN 0.321 nan 8.280 nan 0.000 0.550 384 I N 1.368 122.039 120.570 0.168 0.000 2.452 384 I HA 0.037 4.196 4.170 -0.017 0.000 0.287 384 I C 0.360 176.561 176.117 0.140 0.000 1.079 384 I CA 0.142 61.522 61.300 0.134 0.000 1.387 384 I CB 0.300 38.302 38.000 0.004 0.000 1.404 384 I HN 0.125 nan 8.210 nan 0.000 0.522 385 c N 7.477 126.106 118.600 0.049 0.000 2.382 385 c HA 0.397 4.957 4.570 -0.017 0.000 0.327 385 c C -0.287 173.733 174.090 -0.117 0.000 1.250 385 c CA -0.500 55.633 56.329 -0.328 0.000 1.707 385 c CB 0.838 42.885 42.510 -0.772 0.000 2.272 385 c HN 0.631 nan 8.230 nan 0.000 0.506 386 Y N 5.378 125.386 120.300 -0.486 0.000 2.350 386 Y HA 0.639 5.179 4.550 -0.017 0.000 0.340 386 Y C -0.974 174.511 175.900 -0.690 0.000 1.006 386 Y CA -0.793 56.946 58.100 -0.601 0.000 1.166 386 Y CB 0.077 38.227 38.460 -0.516 0.000 1.168 386 Y HN 0.600 nan 8.280 nan 0.000 0.502 387 F N 3.234 122.532 119.950 -1.087 0.000 2.507 387 F HA 0.494 5.011 4.527 -0.017 0.000 0.327 387 F C -0.250 174.829 175.800 -1.202 0.000 1.068 387 F CA -1.017 56.257 58.000 -1.211 0.000 0.965 387 F CB 1.608 39.548 39.000 -1.767 0.000 1.192 387 F HN 0.260 nan 8.300 nan 0.000 0.476 388 Q N 1.861 121.323 119.800 -0.564 0.000 2.333 388 Q HA 0.377 4.707 4.340 -0.017 0.000 0.265 388 Q C 1.006 176.952 176.000 -0.091 0.000 0.989 388 Q CA -0.263 55.329 55.803 -0.351 0.000 0.842 388 Q CB 1.284 29.864 28.738 -0.263 0.000 1.262 388 Q HN 0.675 nan 8.270 nan 0.000 0.451 389 I N -0.287 120.300 120.570 0.028 0.000 2.462 389 I HA -0.281 3.879 4.170 -0.017 0.000 0.259 389 I C 0.155 176.471 176.117 0.332 0.000 1.156 389 I CA 2.015 63.503 61.300 0.313 0.000 1.417 389 I CB -0.093 38.115 38.000 0.347 0.000 1.088 389 I HN 0.522 nan 8.210 nan 0.000 0.442 390 D N -0.671 119.822 120.400 0.155 0.000 2.469 390 D HA 0.198 4.828 4.640 -0.017 0.000 0.215 390 D C 0.333 176.646 176.300 0.022 0.000 1.154 390 D CA -0.356 53.688 54.000 0.072 0.000 0.832 390 D CB 0.178 41.002 40.800 0.041 0.000 1.008 390 D HN 0.140 nan 8.370 nan 0.000 0.506 391 K N 0.714 121.139 120.400 0.042 0.000 2.206 391 K HA 0.292 4.601 4.320 -0.017 0.000 0.264 391 K C 0.726 177.334 176.600 0.013 0.000 0.967 391 K CA -0.676 55.596 56.287 -0.024 0.000 0.844 391 K CB 1.427 33.861 32.500 -0.109 0.000 1.099 391 K HN -0.142 nan 8.250 nan 0.000 0.441 392 K N 0.407 120.783 120.400 -0.041 0.000 2.155 392 K HA 0.047 4.357 4.320 -0.017 0.000 0.203 392 K C -0.249 176.329 176.600 -0.036 0.000 1.052 392 K CA 1.165 57.431 56.287 -0.034 0.000 0.948 392 K CB 0.084 32.552 32.500 -0.055 0.000 0.728 392 K HN 0.341 nan 8.250 nan 0.000 0.448 393 D N 0.915 121.245 120.400 -0.117 0.000 2.256 393 D HA 0.175 4.805 4.640 -0.017 0.000 0.240 393 D C -0.214 175.846 176.300 -0.400 0.000 1.062 393 D CA -0.590 53.284 54.000 -0.209 0.000 0.832 393 D CB 1.498 42.204 40.800 -0.157 0.000 1.135 393 D HN 0.353 nan 8.370 nan 0.000 0.484 394 c N 0.740 118.930 118.600 -0.684 0.000 2.335 394 c HA 0.799 5.359 4.570 -0.017 0.000 0.363 394 c C 0.393 174.057 174.090 -0.710 0.000 1.198 394 c CA -0.501 55.201 56.329 -1.045 0.000 2.279 394 c CB 0.840 42.013 42.510 -2.228 0.000 2.334 394 c HN 0.477 nan 8.230 nan 0.000 0.559 395 T N 2.049 116.251 114.554 -0.586 0.000 2.779 395 T HA 0.493 4.833 4.350 -0.017 0.000 0.280 395 T C -0.590 173.902 174.700 -0.346 0.000 0.987 395 T CA 0.136 62.046 62.100 -0.316 0.000 0.966 395 T CB 0.427 69.256 68.868 -0.065 0.000 0.933 395 T HN 0.500 nan 8.240 nan 0.000 0.442 396 F N 2.786 122.631 119.950 -0.175 0.000 2.459 396 F HA 0.311 4.828 4.527 -0.017 0.000 0.346 396 F C 1.593 177.227 175.800 -0.276 0.000 1.128 396 F CA -0.754 57.128 58.000 -0.197 0.000 1.268 396 F CB 0.554 39.441 39.000 -0.189 0.000 1.161 396 F HN 0.568 nan 8.300 nan 0.000 0.583 397 I N -1.398 119.062 120.570 -0.183 0.000 4.227 397 I HA 0.283 4.443 4.170 -0.017 0.000 0.334 397 I C -0.057 175.910 176.117 -0.249 0.000 1.341 397 I CA 0.007 60.987 61.300 -0.534 0.000 1.123 397 I CB 0.298 37.668 38.000 -1.051 0.000 1.097 397 I HN 0.487 nan 8.210 nan 0.000 0.399 398 T N 0.140 114.591 114.554 -0.172 0.000 2.903 398 T HA 0.704 5.044 4.350 -0.017 0.000 0.299 398 T C -0.745 173.562 174.700 -0.656 0.000 1.093 398 T CA -0.640 61.334 62.100 -0.210 0.000 1.002 398 T CB 2.757 71.567 68.868 -0.097 0.000 1.127 398 T HN 0.475 nan 8.240 nan 0.000 0.488 399 K N -0.031 119.834 120.400 -0.892 0.000 2.615 399 K HA 0.796 5.106 4.320 -0.017 0.000 0.291 399 K C -0.432 175.529 176.600 -1.066 0.000 1.017 399 K CA -0.883 54.583 56.287 -1.368 0.000 0.882 399 K CB 1.385 33.480 32.500 -0.674 0.000 1.522 399 K HN 1.653 nan 8.250 nan 0.000 0.412 400 G N -0.083 108.145 108.800 -0.953 0.000 2.347 400 G HA2 0.044 3.994 3.960 -0.017 0.000 0.477 400 G HA3 0.044 3.994 3.960 -0.017 0.000 0.477 400 G C -0.650 173.728 174.900 -0.870 0.000 1.349 400 G CA -0.372 44.340 45.100 -0.646 0.000 1.000 400 G HN 1.038 nan 8.290 nan 0.000 0.605 401 T N -0.400 113.809 114.554 -0.575 0.000 4.309 401 T HA 0.549 4.888 4.350 -0.017 0.000 0.242 401 T C 0.260 174.834 174.700 -0.211 0.000 1.142 401 T CA 0.710 62.317 62.100 -0.822 0.000 1.042 401 T CB -0.999 67.634 68.868 -0.391 0.000 1.366 401 T HN 1.614 nan 8.240 nan 0.000 0.942 402 W N -0.300 120.857 121.300 -0.237 0.000 2.881 402 W HA 0.623 5.273 4.660 -0.017 0.000 0.380 402 W C -1.576 174.936 176.519 -0.011 0.000 1.170 402 W CA -0.980 56.357 57.345 -0.015 0.000 1.171 402 W CB 0.579 30.015 29.460 -0.041 0.000 1.464 402 W HN 0.223 nan 8.180 nan 0.000 0.574 403 E N 0.661 121.040 120.200 0.299 0.000 2.367 403 E HA 0.450 4.790 4.350 -0.017 0.000 0.273 403 E C -1.264 175.436 176.600 0.168 0.000 0.903 403 E CA -1.184 55.178 56.400 -0.064 0.000 0.764 403 E CB 3.331 33.028 29.700 -0.005 0.000 1.252 403 E HN 0.167 nan 8.360 nan 0.000 0.446 404 V N 3.691 123.569 119.914 -0.060 0.000 2.455 404 V HA 0.008 4.117 4.120 -0.017 0.000 0.273 404 V C 1.301 177.463 176.094 0.114 0.000 1.045 404 V CA -0.066 62.286 62.300 0.087 0.000 0.976 404 V CB 0.441 32.211 31.823 -0.089 0.000 0.993 404 V HN 0.696 nan 8.190 nan 0.000 0.475 405 I N 3.412 124.077 120.570 0.159 0.000 2.286 405 I HA 0.153 4.313 4.170 -0.017 0.000 0.245 405 I C 1.159 177.377 176.117 0.168 0.000 1.104 405 I CA 1.365 62.752 61.300 0.145 0.000 1.397 405 I CB -0.859 37.168 38.000 0.044 0.000 1.072 405 I HN 0.756 nan 8.210 nan 0.000 0.417 406 G N 0.352 109.255 108.800 0.171 0.000 2.632 406 G HA2 0.519 4.469 3.960 -0.017 0.000 0.292 406 G HA3 0.519 4.469 3.960 -0.017 0.000 0.292 406 G C -1.215 173.777 174.900 0.152 0.000 1.465 406 G CA -0.601 44.601 45.100 0.171 0.000 0.824 406 G HN -0.032 nan 8.290 nan 0.000 0.509 407 I N 1.719 122.333 120.570 0.072 0.000 2.325 407 I HA 0.227 4.387 4.170 -0.017 0.000 0.291 407 I C 0.740 176.780 176.117 -0.128 0.000 1.019 407 I CA -0.561 60.665 61.300 -0.122 0.000 1.302 407 I CB 1.675 39.358 38.000 -0.529 0.000 1.401 407 I HN 0.520 nan 8.210 nan 0.000 0.485 408 E N 4.930 125.106 120.200 -0.040 0.000 2.162 408 E HA 0.271 4.611 4.350 -0.017 0.000 0.193 408 E C 0.273 176.774 176.600 -0.165 0.000 0.953 408 E CA 0.375 56.785 56.400 0.016 0.000 0.849 408 E CB 0.539 30.342 29.700 0.172 0.000 0.810 408 E HN 0.680 nan 8.360 nan 0.000 0.470 409 A N 0.604 123.210 122.820 -0.358 0.000 2.594 409 A HA 0.612 4.921 4.320 -0.017 0.000 0.295 409 A C -1.860 175.591 177.584 -0.223 0.000 1.071 409 A CA -0.614 51.134 52.037 -0.481 0.000 0.685 409 A CB 1.421 19.587 19.000 -1.391 0.000 1.285 409 A HN 0.055 nan 8.150 nan 0.000 0.405 410 L N 1.683 122.834 121.223 -0.120 0.000 2.439 410 L HA 0.768 5.098 4.340 -0.017 0.000 0.270 410 L C 0.128 177.010 176.870 0.020 0.000 0.972 410 L CA 0.341 55.161 54.840 -0.034 0.000 0.836 410 L CB 2.000 44.061 42.059 0.005 0.000 1.255 410 L HN 1.058 nan 8.230 nan 0.000 0.404 411 T N -0.254 114.336 114.554 0.061 0.000 2.949 411 T HA 0.405 4.745 4.350 -0.017 0.000 0.287 411 T C 1.042 175.782 174.700 0.065 0.000 1.034 411 T CA -0.005 62.144 62.100 0.081 0.000 1.018 411 T CB 1.379 70.333 68.868 0.143 0.000 1.135 411 T HN 0.629 nan 8.240 nan 0.000 0.532 412 S N -0.824 114.917 115.700 0.067 0.000 2.507 412 S HA -0.089 4.371 4.470 -0.017 0.000 0.235 412 S C 1.048 175.647 174.600 -0.002 0.000 0.988 412 S CA 1.174 59.406 58.200 0.053 0.000 0.944 412 S CB -0.500 62.736 63.200 0.059 0.000 0.762 412 S HN 0.793 nan 8.310 nan 0.000 0.526 413 D N -0.466 119.930 120.400 -0.007 0.000 2.615 413 D HA 0.248 4.878 4.640 -0.017 0.000 0.259 413 D C -0.419 175.653 176.300 -0.381 0.000 0.999 413 D CA 0.482 54.398 54.000 -0.139 0.000 0.938 413 D CB 0.379 41.198 40.800 0.032 0.000 1.121 413 D HN 0.439 nan 8.370 nan 0.000 0.487 414 Y N -0.335 119.916 120.300 -0.081 0.000 2.576 414 Y HA 0.476 5.016 4.550 -0.017 0.000 0.346 414 Y C -0.662 175.080 175.900 -0.264 0.000 1.018 414 Y CA -1.214 56.750 58.100 -0.225 0.000 1.050 414 Y CB 1.892 40.097 38.460 -0.425 0.000 1.280 414 Y HN -0.207 nan 8.280 nan 0.000 0.474 415 L N 2.902 124.007 121.223 -0.196 0.000 2.325 415 L HA 0.509 4.839 4.340 -0.017 0.000 0.281 415 L C -1.981 174.750 176.870 -0.232 0.000 1.004 415 L CA -0.837 53.868 54.840 -0.225 0.000 0.823 415 L CB 0.508 42.344 42.059 -0.371 0.000 1.236 415 L HN 0.635 nan 8.230 nan 0.000 0.415 416 Y N 5.950 126.137 120.300 -0.189 0.000 2.330 416 Y HA 0.549 5.089 4.550 -0.017 0.000 0.336 416 Y C -0.113 175.748 175.900 -0.065 0.000 1.036 416 Y CA -0.416 57.567 58.100 -0.196 0.000 1.125 416 Y CB 1.273 39.508 38.460 -0.376 0.000 1.194 416 Y HN 0.556 nan 8.280 nan 0.000 0.469 417 Y N 0.910 121.244 120.300 0.058 0.000 2.588 417 Y HA 0.780 5.319 4.550 -0.017 0.000 0.343 417 Y C -1.752 174.214 175.900 0.110 0.000 1.065 417 Y CA -1.876 56.256 58.100 0.053 0.000 1.038 417 Y CB 1.067 39.539 38.460 0.020 0.000 1.297 417 Y HN 0.293 nan 8.280 nan 0.000 0.467 418 I N 3.268 124.018 120.570 0.299 0.000 2.392 418 I HA 0.591 4.751 4.170 -0.017 0.000 0.295 418 I C -0.060 176.235 176.117 0.297 0.000 0.985 418 I CA -0.204 61.217 61.300 0.203 0.000 1.221 418 I CB 1.377 39.448 38.000 0.119 0.000 1.366 418 I HN 0.891 nan 8.210 nan 0.000 0.467 419 S N 4.052 119.878 115.700 0.210 0.000 2.638 419 S HA 0.463 4.923 4.470 -0.017 0.000 0.274 419 S C -0.304 174.320 174.600 0.039 0.000 1.157 419 S CA -0.809 57.485 58.200 0.157 0.000 0.826 419 S CB 1.919 65.197 63.200 0.131 0.000 1.139 419 S HN 0.573 nan 8.310 nan 0.000 0.474 420 N N -0.181 118.543 118.700 0.041 0.000 2.321 420 N HA 0.120 4.850 4.740 -0.017 0.000 0.242 420 N C 0.623 176.094 175.510 -0.064 0.000 1.141 420 N CA -0.096 52.944 53.050 -0.017 0.000 0.864 420 N CB 0.187 38.658 38.487 -0.026 0.000 1.100 420 N HN 0.850 nan 8.380 nan 0.000 0.510 421 E N 0.100 120.123 120.200 -0.295 0.000 2.031 421 E HA -0.229 4.111 4.350 -0.017 0.000 0.193 421 E C -0.252 176.199 176.600 -0.248 0.000 0.994 421 E CA 0.362 56.365 56.400 -0.662 0.000 0.800 421 E CB -0.204 28.498 29.700 -1.662 0.000 0.752 421 E HN 0.350 nan 8.360 nan 0.000 0.447 422 Y N 1.752 121.957 120.300 -0.158 0.000 2.944 422 Y HA -0.152 4.388 4.550 -0.017 0.000 0.340 422 Y C 0.441 176.300 175.900 -0.069 0.000 1.275 422 Y CA 1.004 59.068 58.100 -0.061 0.000 1.590 422 Y CB 0.092 38.550 38.460 -0.003 0.000 1.218 422 Y HN 0.186 nan 8.280 nan 0.000 0.576 423 K N 3.199 123.301 120.400 -0.496 0.000 3.349 423 K HA -0.220 4.090 4.320 -0.017 0.000 0.310 423 K C 0.777 177.280 176.600 -0.162 0.000 1.267 423 K CA 1.287 57.335 56.287 -0.398 0.000 0.920 423 K CB -1.597 30.624 32.500 -0.464 0.000 1.240 423 K HN 1.372 nan 8.250 nan 0.000 0.453 424 G N -0.093 108.632 108.800 -0.124 0.000 2.258 424 G HA2 -0.351 3.599 3.960 -0.017 0.000 0.274 424 G HA3 -0.351 3.599 3.960 -0.017 0.000 0.274 424 G C 0.004 174.852 174.900 -0.087 0.000 1.021 424 G CA 0.787 45.857 45.100 -0.050 0.000 0.798 424 G HN 0.301 nan 8.290 nan 0.000 0.507 425 M N -0.038 119.437 119.600 -0.209 0.000 2.069 425 M HA 0.262 4.731 4.480 -0.017 0.000 0.349 425 M C -1.260 174.767 176.300 -0.455 0.000 1.194 425 M CA -2.026 52.971 55.300 -0.504 0.000 1.081 425 M CB 1.720 34.095 32.600 -0.376 0.000 1.500 425 M HN -0.145 nan 8.290 nan 0.000 0.438 426 P HA -0.073 nan 4.420 nan 0.000 0.222 426 P C 1.146 178.299 177.300 -0.246 0.000 1.147 426 P CA 0.923 63.834 63.100 -0.316 0.000 0.790 426 P CB 0.229 31.739 31.700 -0.316 0.000 0.780 427 G N -1.184 107.406 108.800 -0.351 0.000 3.042 427 G HA2 0.251 4.201 3.960 -0.017 0.000 0.212 427 G HA3 0.251 4.201 3.960 -0.017 0.000 0.212 427 G C 0.647 175.551 174.900 0.006 0.000 1.166 427 G CA 0.095 45.124 45.100 -0.118 0.000 0.767 427 G HN 0.371 nan 8.290 nan 0.000 0.546 428 G N -0.274 108.464 108.800 -0.103 0.000 2.471 428 G HA2 0.649 4.599 3.960 -0.017 0.000 0.332 428 G HA3 0.649 4.599 3.960 -0.017 0.000 0.332 428 G C -0.882 173.886 174.900 -0.220 0.000 1.176 428 G CA -0.745 44.317 45.100 -0.063 0.000 0.949 428 G HN 0.064 nan 8.290 nan 0.000 0.488 429 R N 0.859 121.187 120.500 -0.286 0.000 2.574 429 R HA 0.455 4.784 4.340 -0.017 0.000 0.288 429 R C -1.269 175.011 176.300 -0.033 0.000 1.004 429 R CA -0.830 55.098 56.100 -0.286 0.000 0.895 429 R CB 2.101 31.999 30.300 -0.671 0.000 1.191 429 R HN 0.609 nan 8.270 nan 0.000 0.444 430 N N 1.599 120.319 118.700 0.034 0.000 2.277 430 N HA 0.272 5.002 4.740 -0.017 0.000 0.286 430 N C -1.286 174.195 175.510 -0.049 0.000 1.140 430 N CA -0.811 52.213 53.050 -0.044 0.000 0.799 430 N CB 2.766 41.156 38.487 -0.163 0.000 1.596 430 N HN 0.253 nan 8.380 nan 0.000 0.473 431 L N 2.522 123.571 121.223 -0.291 0.000 2.290 431 L HA 0.432 4.762 4.340 -0.017 0.000 0.284 431 L C -1.341 175.265 176.870 -0.440 0.000 1.078 431 L CA 0.188 54.873 54.840 -0.257 0.000 0.815 431 L CB -0.356 41.526 42.059 -0.296 0.000 1.162 431 L HN 0.397 nan 8.230 nan 0.000 0.435 432 Y N 3.669 123.608 120.300 -0.603 0.000 2.598 432 Y HA 0.655 5.194 4.550 -0.017 0.000 0.340 432 Y C -0.398 175.075 175.900 -0.712 0.000 1.038 432 Y CA -0.896 56.769 58.100 -0.725 0.000 1.100 432 Y CB 1.663 39.487 38.460 -1.060 0.000 1.281 432 Y HN 0.576 nan 8.280 nan 0.000 0.488 433 K N 1.656 121.828 120.400 -0.379 0.000 2.468 433 K HA 0.732 5.041 4.320 -0.017 0.000 0.252 433 K C -2.034 174.487 176.600 -0.133 0.000 0.932 433 K CA -0.687 55.321 56.287 -0.465 0.000 0.794 433 K CB 2.551 34.543 32.500 -0.846 0.000 1.241 433 K HN 0.744 nan 8.250 nan 0.000 0.428 434 I N 2.225 122.800 120.570 0.007 0.000 2.433 434 I HA 0.180 4.340 4.170 -0.017 0.000 0.292 434 I C -0.696 175.490 176.117 0.116 0.000 1.001 434 I CA -0.775 60.611 61.300 0.142 0.000 1.119 434 I CB 2.008 40.126 38.000 0.197 0.000 1.289 434 I HN 0.858 nan 8.210 nan 0.000 0.438 435 Q N 5.455 125.299 119.800 0.074 0.000 2.286 435 Q HA 0.089 4.419 4.340 -0.017 0.000 0.267 435 Q C 0.147 176.058 176.000 -0.149 0.000 1.028 435 Q CA -0.439 55.194 55.803 -0.283 0.000 0.901 435 Q CB 1.116 29.735 28.738 -0.198 0.000 1.183 435 Q HN 0.752 nan 8.270 nan 0.000 0.392 436 L N 3.193 124.272 121.223 -0.239 0.000 2.353 436 L HA -0.158 4.172 4.340 -0.017 0.000 0.220 436 L C 2.154 178.939 176.870 -0.142 0.000 1.133 436 L CA 1.727 56.521 54.840 -0.077 0.000 0.798 436 L CB -0.645 41.343 42.059 -0.120 0.000 0.922 436 L HN 0.744 nan 8.230 nan 0.000 0.445 437 S N -3.070 112.501 115.700 -0.216 0.000 2.524 437 S HA 0.060 4.520 4.470 -0.017 0.000 0.216 437 S C 0.663 175.101 174.600 -0.270 0.000 0.987 437 S CA -0.044 58.019 58.200 -0.228 0.000 0.909 437 S CB 0.153 63.248 63.200 -0.175 0.000 0.781 437 S HN 0.354 nan 8.310 nan 0.000 0.521 438 D N 0.125 120.384 120.400 -0.235 0.000 2.411 438 D HA 0.201 4.831 4.640 -0.017 0.000 0.239 438 D C -0.504 175.772 176.300 -0.039 0.000 1.307 438 D CA -0.492 53.398 54.000 -0.184 0.000 0.930 438 D CB 0.166 40.908 40.800 -0.096 0.000 1.395 438 D HN 0.015 nan 8.370 nan 0.000 0.536 439 Y N 0.820 121.104 120.300 -0.027 0.000 2.538 439 Y HA -0.105 4.435 4.550 -0.017 0.000 0.287 439 Y C 2.310 178.222 175.900 0.020 0.000 1.157 439 Y CA 0.813 58.912 58.100 -0.002 0.000 1.338 439 Y CB -0.822 37.641 38.460 0.004 0.000 0.970 439 Y HN 0.268 nan 8.280 nan 0.000 0.564 440 T N -0.562 114.069 114.554 0.129 0.000 3.088 440 T HA -0.017 4.322 4.350 -0.017 0.000 0.259 440 T C 0.707 175.457 174.700 0.083 0.000 1.122 440 T CA 0.501 62.656 62.100 0.091 0.000 1.095 440 T CB -0.111 68.783 68.868 0.044 0.000 0.930 440 T HN 0.199 nan 8.240 nan 0.000 0.508 441 K N 2.111 122.562 120.400 0.085 0.000 2.357 441 K HA 0.482 4.792 4.320 -0.017 0.000 0.251 441 K C -1.103 175.566 176.600 0.114 0.000 1.069 441 K CA -0.255 56.082 56.287 0.083 0.000 0.994 441 K CB 1.596 34.135 32.500 0.065 0.000 1.411 441 K HN 0.005 nan 8.250 nan 0.000 0.450 442 V N 2.245 122.227 119.914 0.114 0.000 2.513 442 V HA 0.472 4.582 4.120 -0.017 0.000 0.299 442 V C -0.916 175.222 176.094 0.074 0.000 1.035 442 V CA -0.059 62.319 62.300 0.131 0.000 0.889 442 V CB 1.939 33.882 31.823 0.201 0.000 0.988 442 V HN 0.611 nan 8.190 nan 0.000 0.440 443 T N 5.861 120.415 114.554 -0.001 0.000 2.824 443 T HA 0.302 4.642 4.350 -0.017 0.000 0.282 443 T C -0.643 173.899 174.700 -0.263 0.000 0.993 443 T CA -0.271 61.764 62.100 -0.109 0.000 0.967 443 T CB 1.094 69.873 68.868 -0.149 0.000 0.960 443 T HN 0.914 nan 8.240 nan 0.000 0.441 444 C N 5.253 124.299 119.300 -0.424 0.000 2.394 444 C HA 0.430 4.880 4.460 -0.017 0.000 0.362 444 C C 1.633 176.246 174.990 -0.629 0.000 1.268 444 C CA -0.572 57.903 59.018 -0.904 0.000 1.828 444 C CB -1.871 25.210 27.740 -1.098 0.000 2.442 444 C HN 0.988 nan 8.230 nan 0.000 0.549 445 L N 4.724 125.580 121.223 -0.612 0.000 2.509 445 L HA 0.077 4.407 4.340 -0.017 0.000 0.222 445 L C 2.168 178.729 176.870 -0.515 0.000 1.123 445 L CA 0.900 55.474 54.840 -0.444 0.000 0.856 445 L CB -0.226 41.617 42.059 -0.359 0.000 0.985 445 L HN 0.895 nan 8.230 nan 0.000 0.456 446 S N -2.969 112.316 115.700 -0.692 0.000 2.554 446 S HA -0.026 4.434 4.470 -0.017 0.000 0.227 446 S C 1.928 176.150 174.600 -0.629 0.000 1.050 446 S CA -0.007 57.682 58.200 -0.851 0.000 0.927 446 S CB -0.338 62.001 63.200 -1.436 0.000 0.859 446 S HN 0.304 nan 8.310 nan 0.000 0.494 447 C N 2.319 121.205 119.300 -0.691 0.000 2.349 447 C HA -0.094 4.356 4.460 -0.017 0.000 0.274 447 C C 2.461 177.188 174.990 -0.439 0.000 1.178 447 C CA 1.647 60.186 59.018 -0.799 0.000 1.769 447 C CB -1.201 25.773 27.740 -1.276 0.000 2.047 447 C HN 0.591 nan 8.230 nan 0.000 0.448 448 E N 0.081 120.087 120.200 -0.323 0.000 2.479 448 E HA 0.175 4.515 4.350 -0.017 0.000 0.193 448 E C 1.873 178.424 176.600 -0.081 0.000 1.049 448 E CA -0.064 56.247 56.400 -0.147 0.000 0.870 448 E CB -0.291 29.335 29.700 -0.123 0.000 0.944 448 E HN 0.576 nan 8.360 nan 0.000 0.492 449 L N 0.212 121.384 121.223 -0.086 0.000 2.012 449 L HA -0.115 4.215 4.340 -0.017 0.000 0.210 449 L C 0.966 177.853 176.870 0.027 0.000 1.073 449 L CA 0.990 55.821 54.840 -0.015 0.000 0.748 449 L CB -0.052 42.020 42.059 0.022 0.000 0.891 449 L HN 0.143 nan 8.230 nan 0.000 0.431 450 N N -1.778 116.956 118.700 0.056 0.000 2.946 450 N HA 0.115 4.845 4.740 -0.017 0.000 0.213 450 N C -2.197 173.348 175.510 0.060 0.000 1.440 450 N CA -0.851 52.227 53.050 0.045 0.000 0.745 450 N CB 0.831 39.338 38.487 0.034 0.000 1.471 450 N HN -0.240 nan 8.380 nan 0.000 0.569 451 P HA -0.186 nan 4.420 nan 0.000 0.217 451 P C 1.119 178.468 177.300 0.083 0.000 1.158 451 P CA 1.394 64.556 63.100 0.103 0.000 0.887 451 P CB 0.535 32.299 31.700 0.108 0.000 0.792 452 E N -0.877 119.352 120.200 0.049 0.000 2.017 452 E HA -0.193 4.147 4.350 -0.017 0.000 0.193 452 E C 2.212 178.820 176.600 0.014 0.000 0.997 452 E CA 1.176 57.595 56.400 0.031 0.000 0.804 452 E CB -0.554 29.156 29.700 0.016 0.000 0.757 452 E HN 0.265 nan 8.360 nan 0.000 0.448 453 R N -0.184 120.312 120.500 -0.006 0.000 2.153 453 R HA 0.012 4.342 4.340 -0.017 0.000 0.218 453 R C 0.039 176.298 176.300 -0.068 0.000 1.072 453 R CA 0.582 56.655 56.100 -0.044 0.000 0.990 453 R CB 0.305 30.568 30.300 -0.062 0.000 0.889 453 R HN 0.061 nan 8.270 nan 0.000 0.452 454 c N 0.804 119.378 118.600 -0.044 0.000 2.344 454 c HA 0.395 4.955 4.570 -0.017 0.000 0.326 454 c C -0.040 174.047 174.090 -0.006 0.000 1.201 454 c CA -0.743 55.507 56.329 -0.133 0.000 1.410 454 c CB 1.504 43.864 42.510 -0.250 0.000 2.070 454 c HN 0.510 nan 8.230 nan 0.000 0.445 455 Q N 0.457 120.251 119.800 -0.011 0.000 2.103 455 Q HA 0.185 4.515 4.340 -0.017 0.000 0.219 455 Q C -0.977 175.097 176.000 0.124 0.000 0.784 455 Q CA 0.048 55.923 55.803 0.120 0.000 1.014 455 Q CB 1.388 30.204 28.738 0.130 0.000 1.183 455 Q HN 0.788 nan 8.270 nan 0.000 0.469 456 Y N 0.486 120.701 120.300 -0.141 0.000 2.333 456 Y HA 0.389 4.929 4.550 -0.017 0.000 0.324 456 Y C -1.589 174.183 175.900 -0.214 0.000 1.033 456 Y CA -1.034 57.006 58.100 -0.100 0.000 1.224 456 Y CB 0.860 39.264 38.460 -0.093 0.000 1.120 456 Y HN -0.071 nan 8.280 nan 0.000 0.457 457 Y N 2.278 122.531 120.300 -0.078 0.000 2.485 457 Y HA 0.648 5.188 4.550 -0.017 0.000 0.345 457 Y C 0.077 175.955 175.900 -0.038 0.000 0.998 457 Y CA -0.708 57.366 58.100 -0.042 0.000 1.059 457 Y CB 2.322 40.730 38.460 -0.088 0.000 1.234 457 Y HN 0.507 nan 8.280 nan 0.000 0.461 458 S N 1.146 116.965 115.700 0.198 0.000 2.599 458 S HA 0.884 5.344 4.470 -0.017 0.000 0.294 458 S C -1.570 173.125 174.600 0.158 0.000 1.094 458 S CA -0.723 57.572 58.200 0.159 0.000 0.931 458 S CB 1.899 65.200 63.200 0.168 0.000 1.093 458 S HN 0.632 nan 8.310 nan 0.000 0.488 459 V N 0.330 120.336 119.914 0.152 0.000 3.130 459 V HA 0.892 5.002 4.120 -0.017 0.000 0.310 459 V C -1.219 174.977 176.094 0.171 0.000 1.158 459 V CA -0.336 62.032 62.300 0.113 0.000 1.029 459 V CB 2.362 34.189 31.823 0.008 0.000 1.057 459 V HN 1.186 nan 8.190 nan 0.000 0.436 460 S N 3.572 119.355 115.700 0.138 0.000 2.721 460 S HA 0.617 5.077 4.470 -0.017 0.000 0.264 460 S C -1.166 173.580 174.600 0.243 0.000 1.161 460 S CA -0.412 57.965 58.200 0.295 0.000 1.113 460 S CB 0.203 63.635 63.200 0.386 0.000 1.079 460 S HN 0.491 nan 8.310 nan 0.000 0.479 461 F N 2.847 122.837 119.950 0.066 0.000 2.380 461 F HA 0.462 4.978 4.527 -0.017 0.000 0.325 461 F C 1.521 176.871 175.800 -0.750 0.000 1.136 461 F CA -0.167 57.692 58.000 -0.235 0.000 1.171 461 F CB 1.071 39.914 39.000 -0.262 0.000 1.230 461 F HN 0.599 nan 8.300 nan 0.000 0.554 462 S N 1.237 116.312 115.700 -1.041 0.000 2.652 462 S HA 0.239 4.699 4.470 -0.017 0.000 0.267 462 S C 1.167 175.532 174.600 -0.392 0.000 1.201 462 S CA -0.812 56.569 58.200 -1.365 0.000 0.996 462 S CB 0.750 63.163 63.200 -1.312 0.000 1.054 462 S HN 0.487 nan 8.310 nan 0.000 0.561 463 K N 1.002 121.317 120.400 -0.142 0.000 2.059 463 K HA -0.105 4.205 4.320 -0.017 0.000 0.212 463 K C 1.248 177.834 176.600 -0.023 0.000 1.050 463 K CA 1.657 57.946 56.287 0.002 0.000 0.927 463 K CB -0.493 32.059 32.500 0.087 0.000 0.714 463 K HN 0.678 nan 8.250 nan 0.000 0.447 464 E N -0.887 119.271 120.200 -0.070 0.000 2.501 464 E HA 0.219 4.559 4.350 -0.017 0.000 0.200 464 E C 0.109 176.642 176.600 -0.112 0.000 1.016 464 E CA 0.239 56.602 56.400 -0.063 0.000 0.921 464 E CB 0.633 30.305 29.700 -0.047 0.000 1.034 464 E HN 0.248 nan 8.360 nan 0.000 0.468 465 A N 1.531 124.265 122.820 -0.145 0.000 2.905 465 A HA -0.305 4.005 4.320 -0.017 0.000 0.260 465 A C 1.449 178.952 177.584 -0.134 0.000 1.398 465 A CA 1.619 53.591 52.037 -0.109 0.000 0.840 465 A CB -2.194 16.641 19.000 -0.275 0.000 1.059 465 A HN 0.272 nan 8.150 nan 0.000 0.647 466 K N -1.762 118.473 120.400 -0.276 0.000 2.217 466 K HA 0.115 4.425 4.320 -0.017 0.000 0.202 466 K C 0.065 176.241 176.600 -0.707 0.000 1.051 466 K CA 1.453 57.435 56.287 -0.508 0.000 0.952 466 K CB -0.008 32.081 32.500 -0.685 0.000 0.736 466 K HN 0.677 nan 8.250 nan 0.000 0.453 467 Y N -1.005 119.176 120.300 -0.200 0.000 2.581 467 Y HA 0.326 4.866 4.550 -0.017 0.000 0.345 467 Y C -1.046 174.726 175.900 -0.212 0.000 1.036 467 Y CA -1.394 56.604 58.100 -0.170 0.000 1.042 467 Y CB 1.670 40.060 38.460 -0.116 0.000 1.289 467 Y HN -0.034 nan 8.280 nan 0.000 0.471 468 Y N -0.950 119.292 120.300 -0.098 0.000 2.513 468 Y HA 0.549 5.089 4.550 -0.017 0.000 0.340 468 Y C -1.249 174.655 175.900 0.007 0.000 1.055 468 Y CA -1.492 56.390 58.100 -0.364 0.000 1.020 468 Y CB 1.594 39.307 38.460 -1.245 0.000 1.301 468 Y HN 0.597 nan 8.280 nan 0.000 0.453 469 Q N 4.118 124.031 119.800 0.188 0.000 2.325 469 Q HA 0.540 4.870 4.340 -0.017 0.000 0.262 469 Q C -1.771 174.316 176.000 0.145 0.000 0.968 469 Q CA -0.642 55.251 55.803 0.150 0.000 0.877 469 Q CB 1.271 30.078 28.738 0.113 0.000 1.253 469 Q HN 0.978 nan 8.270 nan 0.000 0.448 470 L N 4.181 125.510 121.223 0.177 0.000 2.334 470 L HA 0.509 4.839 4.340 -0.017 0.000 0.277 470 L C -0.105 176.849 176.870 0.141 0.000 1.075 470 L CA -0.485 54.463 54.840 0.179 0.000 0.804 470 L CB 1.177 43.339 42.059 0.172 0.000 1.174 470 L HN 0.594 nan 8.230 nan 0.000 0.438 471 R N 2.319 122.883 120.500 0.107 0.000 2.358 471 R HA 0.289 4.619 4.340 -0.017 0.000 0.309 471 R C -1.042 175.118 176.300 -0.233 0.000 1.026 471 R CA -0.506 55.479 56.100 -0.192 0.000 0.909 471 R CB 1.483 31.731 30.300 -0.088 0.000 1.153 471 R HN 0.594 nan 8.270 nan 0.000 0.515 472 c N 2.822 121.157 118.600 -0.442 0.000 2.415 472 c HA 0.336 4.896 4.570 -0.017 0.000 0.369 472 c C 1.472 175.325 174.090 -0.395 0.000 1.279 472 c CA -0.250 55.706 56.329 -0.622 0.000 1.886 472 c CB -0.018 42.089 42.510 -0.672 0.000 2.468 472 c HN 0.962 nan 8.230 nan 0.000 0.553 473 S N 3.814 119.372 115.700 -0.236 0.000 2.650 473 S HA 0.612 5.072 4.470 -0.017 0.000 0.240 473 S C 0.390 174.946 174.600 -0.074 0.000 1.007 473 S CA 0.225 58.349 58.200 -0.126 0.000 0.984 473 S CB 0.009 63.166 63.200 -0.071 0.000 0.910 473 S HN 1.928 nan 8.310 nan 0.000 0.509 474 G N 1.843 110.583 108.800 -0.100 0.000 2.321 474 G HA2 0.354 4.304 3.960 -0.017 0.000 0.298 474 G HA3 0.354 4.304 3.960 -0.017 0.000 0.298 474 G C -2.947 171.934 174.900 -0.032 0.000 1.385 474 G CA -0.423 44.659 45.100 -0.029 0.000 0.856 474 G HN -0.129 nan 8.290 nan 0.000 0.584 475 P HA 0.083 nan 4.420 nan 0.000 0.223 475 P C 1.329 178.648 177.300 0.032 0.000 1.151 475 P CA 1.524 64.654 63.100 0.050 0.000 0.787 475 P CB 0.235 31.963 31.700 0.048 0.000 0.788 476 G N 0.353 109.102 108.800 -0.086 0.000 2.535 476 G HA2 0.389 4.339 3.960 -0.017 0.000 0.282 476 G HA3 0.389 4.339 3.960 -0.017 0.000 0.282 476 G C -0.218 174.418 174.900 -0.439 0.000 1.350 476 G CA -0.734 44.229 45.100 -0.228 0.000 1.039 476 G HN 0.051 nan 8.290 nan 0.000 0.509 477 L N 0.993 121.882 121.223 -0.557 0.000 2.456 477 L HA 0.160 4.490 4.340 -0.017 0.000 0.272 477 L C -1.882 174.819 176.870 -0.281 0.000 1.189 477 L CA -1.288 53.203 54.840 -0.582 0.000 0.846 477 L CB 0.555 42.364 42.059 -0.417 0.000 1.111 477 L HN 0.235 nan 8.230 nan 0.000 0.475 478 P HA -0.021 nan 4.420 nan 0.000 0.261 478 P C -0.924 176.309 177.300 -0.111 0.000 1.173 478 P CA 0.152 63.175 63.100 -0.127 0.000 0.760 478 P CB 0.462 32.188 31.700 0.044 0.000 0.783 479 L N 5.767 126.837 121.223 -0.255 0.000 2.406 479 L HA 0.475 4.805 4.340 -0.017 0.000 0.272 479 L C -1.702 175.011 176.870 -0.260 0.000 0.980 479 L CA -0.673 54.080 54.840 -0.146 0.000 0.831 479 L CB 0.839 42.826 42.059 -0.120 0.000 1.253 479 L HN 0.208 nan 8.230 nan 0.000 0.406 480 Y N 2.820 123.078 120.300 -0.070 0.000 2.331 480 Y HA 0.765 5.304 4.550 -0.017 0.000 0.338 480 Y C 0.560 176.348 175.900 -0.187 0.000 0.992 480 Y CA -0.475 57.562 58.100 -0.106 0.000 1.121 480 Y CB 2.043 40.413 38.460 -0.150 0.000 1.184 480 Y HN 0.687 nan 8.280 nan 0.000 0.469 481 T N 1.190 115.730 114.554 -0.023 0.000 2.896 481 T HA 0.714 5.054 4.350 -0.017 0.000 0.297 481 T C -1.270 173.292 174.700 -0.230 0.000 1.108 481 T CA -0.951 61.052 62.100 -0.163 0.000 1.004 481 T CB 1.691 70.481 68.868 -0.129 0.000 1.159 481 T HN 0.547 nan 8.240 nan 0.000 0.499 482 L N 1.558 122.507 121.223 -0.456 0.000 2.346 482 L HA 0.679 5.008 4.340 -0.017 0.000 0.274 482 L C -1.039 175.417 176.870 -0.690 0.000 1.007 482 L CA -0.824 53.792 54.840 -0.373 0.000 0.818 482 L CB 1.693 43.601 42.059 -0.251 0.000 1.284 482 L HN 0.901 nan 8.230 nan 0.000 0.424 483 H N -0.031 118.789 119.070 -0.416 0.000 2.946 483 H HA 0.480 5.025 4.556 -0.017 0.000 0.365 483 H C -0.712 174.416 175.328 -0.332 0.000 1.197 483 H CA -0.811 54.914 56.048 -0.538 0.000 1.131 483 H CB 1.908 30.992 29.762 -1.131 0.000 1.849 483 H HN 0.433 nan 8.280 nan 0.000 0.555 484 S N -0.264 115.419 115.700 -0.029 0.000 2.454 484 S HA 0.305 4.764 4.470 -0.017 0.000 0.306 484 S C 0.268 174.883 174.600 0.025 0.000 1.100 484 S CA -0.726 57.492 58.200 0.029 0.000 1.087 484 S CB 1.701 64.944 63.200 0.071 0.000 1.019 484 S HN 0.549 nan 8.310 nan 0.000 0.480 485 S N 2.034 117.753 115.700 0.032 0.000 2.447 485 S HA -0.100 4.360 4.470 -0.017 0.000 0.233 485 S C 1.887 176.515 174.600 0.046 0.000 1.006 485 S CA 0.849 59.137 58.200 0.146 0.000 0.957 485 S CB -0.413 62.837 63.200 0.084 0.000 0.773 485 S HN 0.695 nan 8.310 nan 0.000 0.507 486 V N 2.491 122.388 119.914 -0.029 0.000 2.282 486 V HA -0.223 3.887 4.120 -0.017 0.000 0.249 486 V C 0.880 176.974 176.094 -0.000 0.000 1.057 486 V CA 2.086 64.377 62.300 -0.016 0.000 1.032 486 V CB -0.343 31.461 31.823 -0.033 0.000 0.645 486 V HN 0.585 nan 8.190 nan 0.000 0.447 487 N N -1.349 117.355 118.700 0.007 0.000 2.240 487 N HA 0.138 4.868 4.740 -0.017 0.000 0.240 487 N C -0.650 174.869 175.510 0.016 0.000 1.277 487 N CA 0.377 53.429 53.050 0.003 0.000 0.873 487 N CB 0.612 39.102 38.487 0.005 0.000 1.222 487 N HN 0.363 nan 8.380 nan 0.000 0.507 488 D N 1.461 121.897 120.400 0.061 0.000 2.751 488 D HA -0.196 4.433 4.640 -0.017 0.000 0.233 488 D C 0.009 176.350 176.300 0.070 0.000 1.149 488 D CA 1.205 55.276 54.000 0.119 0.000 0.682 488 D CB -0.634 40.211 40.800 0.074 0.000 1.068 488 D HN 0.455 nan 8.370 nan 0.000 0.429 489 K N 0.546 120.970 120.400 0.040 0.000 2.218 489 K HA 0.392 4.702 4.320 -0.017 0.000 0.276 489 K C 0.655 177.255 176.600 0.000 0.000 1.022 489 K CA -0.117 56.182 56.287 0.020 0.000 0.946 489 K CB 0.836 33.339 32.500 0.005 0.000 1.000 489 K HN 0.075 nan 8.250 nan 0.000 0.468 490 G N 4.369 113.155 108.800 -0.023 0.000 2.365 490 G HA2 0.190 4.140 3.960 -0.017 0.000 0.293 490 G HA3 0.190 4.140 3.960 -0.017 0.000 0.293 490 G C 0.726 175.503 174.900 -0.205 0.000 1.128 490 G CA -0.456 44.535 45.100 -0.181 0.000 0.971 490 G HN 0.684 nan 8.290 nan 0.000 0.422 491 L N 1.896 122.948 121.223 -0.286 0.000 2.127 491 L HA 0.266 4.596 4.340 -0.017 0.000 0.203 491 L C 1.586 178.351 176.870 -0.174 0.000 1.080 491 L CA 0.853 55.586 54.840 -0.178 0.000 0.768 491 L CB -0.298 41.668 42.059 -0.154 0.000 0.924 491 L HN 0.762 nan 8.230 nan 0.000 0.444 492 R N -2.468 117.882 120.500 -0.249 0.000 3.012 492 R HA 0.351 4.681 4.340 -0.017 0.000 0.287 492 R C -1.656 174.501 176.300 -0.239 0.000 0.990 492 R CA -0.946 55.036 56.100 -0.197 0.000 0.839 492 R CB 1.000 31.212 30.300 -0.145 0.000 1.317 492 R HN -0.293 nan 8.270 nan 0.000 0.518 493 V N 2.640 122.445 119.914 -0.181 0.000 2.461 493 V HA 0.202 4.312 4.120 -0.017 0.000 0.275 493 V C 1.218 177.173 176.094 -0.232 0.000 1.047 493 V CA -0.395 61.800 62.300 -0.175 0.000 0.955 493 V CB 1.194 32.954 31.823 -0.105 0.000 0.988 493 V HN 0.630 nan 8.190 nan 0.000 0.471 494 L N 2.517 123.536 121.223 -0.340 0.000 2.253 494 L HA 0.319 4.649 4.340 -0.017 0.000 0.205 494 L C 0.679 177.339 176.870 -0.349 0.000 1.078 494 L CA 0.628 55.096 54.840 -0.620 0.000 0.805 494 L CB 0.230 41.499 42.059 -1.317 0.000 0.963 494 L HN 0.680 nan 8.230 nan 0.000 0.459 495 E N -0.058 120.063 120.200 -0.133 0.000 2.347 495 E HA 0.112 4.452 4.350 -0.017 0.000 0.285 495 E C -1.248 175.411 176.600 0.098 0.000 0.925 495 E CA -0.362 56.060 56.400 0.038 0.000 0.779 495 E CB 1.249 31.000 29.700 0.085 0.000 1.233 495 E HN 0.142 nan 8.360 nan 0.000 0.414 496 D N 3.026 123.459 120.400 0.056 0.000 2.503 496 D HA 0.143 4.773 4.640 -0.017 0.000 0.218 496 D C -0.319 175.995 176.300 0.024 0.000 1.183 496 D CA -0.252 53.766 54.000 0.030 0.000 0.827 496 D CB -0.058 40.739 40.800 -0.004 0.000 1.034 496 D HN 0.443 nan 8.370 nan 0.000 0.510 497 N N 0.657 119.389 118.700 0.053 0.000 2.721 497 N HA -0.218 4.512 4.740 -0.017 0.000 0.249 497 N C 1.029 176.551 175.510 0.019 0.000 1.072 497 N CA 0.934 54.010 53.050 0.043 0.000 0.710 497 N CB -1.337 37.167 38.487 0.029 0.000 0.993 497 N HN 0.497 nan 8.380 nan 0.000 0.547 498 S N -1.214 114.498 115.700 0.019 0.000 2.399 498 S HA -0.080 4.379 4.470 -0.017 0.000 0.231 498 S C 2.081 176.698 174.600 0.028 0.000 1.022 498 S CA 1.056 59.264 58.200 0.013 0.000 0.983 498 S CB -0.139 63.069 63.200 0.013 0.000 0.803 498 S HN 0.520 nan 8.310 nan 0.000 0.480 499 A N 2.280 125.125 122.820 0.042 0.000 1.845 499 A HA 0.054 4.364 4.320 -0.017 0.000 0.215 499 A C 2.257 179.886 177.584 0.074 0.000 1.195 499 A CA 1.644 53.715 52.037 0.055 0.000 0.616 499 A CB -1.079 17.957 19.000 0.059 0.000 0.832 499 A HN 0.538 nan 8.150 nan 0.000 0.443 500 L N 0.322 121.595 121.223 0.083 0.000 2.079 500 L HA -0.179 4.151 4.340 -0.017 0.000 0.210 500 L C 1.915 178.831 176.870 0.077 0.000 1.081 500 L CA 2.803 57.713 54.840 0.116 0.000 0.752 500 L CB -0.668 41.463 42.059 0.120 0.000 0.896 500 L HN 0.525 nan 8.230 nan 0.000 0.433 501 D N -0.747 119.669 120.400 0.027 0.000 2.104 501 D HA -0.220 4.410 4.640 -0.017 0.000 0.194 501 D C 2.012 178.323 176.300 0.019 0.000 0.994 501 D CA 1.325 55.322 54.000 -0.005 0.000 0.830 501 D CB 0.074 40.859 40.800 -0.025 0.000 0.959 501 D HN 0.140 nan 8.370 nan 0.000 0.452 502 K N -0.223 120.199 120.400 0.036 0.000 2.097 502 K HA -0.100 4.210 4.320 -0.017 0.000 0.206 502 K C 2.277 178.919 176.600 0.071 0.000 1.049 502 K CA 0.730 57.044 56.287 0.045 0.000 0.933 502 K CB -0.415 32.113 32.500 0.047 0.000 0.717 502 K HN 0.388 nan 8.250 nan 0.000 0.442 503 M N 0.354 120.018 119.600 0.108 0.000 2.099 503 M HA -0.108 4.362 4.480 -0.017 0.000 0.262 503 M C 2.045 178.420 176.300 0.125 0.000 1.067 503 M CA 1.393 56.803 55.300 0.183 0.000 1.124 503 M CB -0.228 32.559 32.600 0.311 0.000 1.353 503 M HN 0.014 nan 8.290 nan 0.000 0.410 504 L N 0.296 121.539 121.223 0.034 0.000 2.456 504 L HA -0.184 4.145 4.340 -0.017 0.000 0.224 504 L C 2.351 179.195 176.870 -0.044 0.000 1.148 504 L CA 0.756 55.545 54.840 -0.085 0.000 0.825 504 L CB -0.720 41.293 42.059 -0.077 0.000 0.937 504 L HN 0.502 nan 8.230 nan 0.000 0.450 505 Q N -1.327 118.473 119.800 0.000 0.000 2.444 505 Q HA -0.028 4.302 4.340 -0.017 0.000 0.206 505 Q C 0.788 176.803 176.000 0.025 0.000 0.948 505 Q CA 0.451 56.258 55.803 0.008 0.000 0.946 505 Q CB -0.057 28.689 28.738 0.014 0.000 1.027 505 Q HN 0.422 nan 8.270 nan 0.000 0.513 506 N N 0.783 119.506 118.700 0.039 0.000 2.230 506 N HA 0.119 4.849 4.740 -0.017 0.000 0.202 506 N C -0.782 174.764 175.510 0.059 0.000 1.119 506 N CA 0.133 53.219 53.050 0.061 0.000 0.851 506 N CB 1.714 40.255 38.487 0.091 0.000 0.990 506 N HN 0.102 nan 8.380 nan 0.000 0.497 507 V N 0.838 120.762 119.914 0.018 0.000 2.876 507 V HA 0.248 4.358 4.120 -0.017 0.000 0.312 507 V C -0.886 175.198 176.094 -0.017 0.000 1.085 507 V CA -0.746 61.558 62.300 0.007 0.000 0.945 507 V CB 2.332 34.120 31.823 -0.058 0.000 1.017 507 V HN -0.001 nan 8.190 nan 0.000 0.428 508 Q N 6.069 125.863 119.800 -0.009 0.000 2.641 508 Q HA 0.284 4.614 4.340 -0.017 0.000 0.225 508 Q C -0.364 175.585 176.000 -0.085 0.000 1.309 508 Q CA -0.158 55.603 55.803 -0.071 0.000 0.935 508 Q CB 0.364 29.054 28.738 -0.080 0.000 1.557 508 Q HN 0.569 nan 8.270 nan 0.000 0.563 509 M N 3.316 122.861 119.600 -0.092 0.000 2.241 509 M HA 0.322 4.792 4.480 -0.017 0.000 0.335 509 M C -1.917 174.313 176.300 -0.117 0.000 1.122 509 M CA -2.260 52.981 55.300 -0.099 0.000 1.164 509 M CB -0.085 32.462 32.600 -0.089 0.000 1.459 509 M HN 0.283 nan 8.290 nan 0.000 0.461 510 P HA 0.301 nan 4.420 nan 0.000 0.278 510 P C -0.980 176.247 177.300 -0.121 0.000 1.266 510 P CA -0.400 62.616 63.100 -0.140 0.000 0.807 510 P CB 0.860 32.465 31.700 -0.159 0.000 1.094 511 S N -0.483 115.135 115.700 -0.137 0.000 2.664 511 S HA 0.594 5.054 4.470 -0.017 0.000 0.304 511 S C -0.531 173.986 174.600 -0.138 0.000 1.099 511 S CA -0.812 57.322 58.200 -0.110 0.000 1.003 511 S CB 1.760 64.899 63.200 -0.102 0.000 1.092 511 S HN 0.490 nan 8.310 nan 0.000 0.525 512 K N 0.706 121.051 120.400 -0.092 0.000 2.413 512 K HA 0.377 4.687 4.320 -0.017 0.000 0.257 512 K C -1.202 175.359 176.600 -0.066 0.000 0.946 512 K CA -0.486 55.751 56.287 -0.085 0.000 0.823 512 K CB 1.150 33.623 32.500 -0.046 0.000 1.109 512 K HN 0.724 nan 8.250 nan 0.000 0.427 513 K N 5.909 126.258 120.400 -0.086 0.000 2.240 513 K HA 0.300 4.610 4.320 -0.017 0.000 0.271 513 K C -1.273 175.315 176.600 -0.020 0.000 1.018 513 K CA -0.618 55.635 56.287 -0.057 0.000 0.874 513 K CB 0.861 33.301 32.500 -0.101 0.000 1.098 513 K HN 0.571 nan 8.250 nan 0.000 0.458 514 L N 4.422 125.652 121.223 0.013 0.000 2.313 514 L HA 0.487 4.817 4.340 -0.017 0.000 0.283 514 L C -1.005 175.893 176.870 0.047 0.000 1.013 514 L CA -0.165 54.712 54.840 0.061 0.000 0.816 514 L CB 1.347 43.502 42.059 0.159 0.000 1.236 514 L HN 0.910 nan 8.230 nan 0.000 0.419 515 D N 2.474 122.779 120.400 -0.158 0.000 2.992 515 D HA 0.393 5.023 4.640 -0.017 0.000 0.349 515 D C -1.646 174.384 176.300 -0.450 0.000 1.393 515 D CA -0.038 53.802 54.000 -0.266 0.000 0.887 515 D CB 1.830 42.444 40.800 -0.310 0.000 1.447 515 D HN 0.216 nan 8.370 nan 0.000 0.524 516 F N 0.044 119.650 119.950 -0.574 0.000 2.692 516 F HA 0.779 5.296 4.527 -0.017 0.000 0.320 516 F C -0.955 174.934 175.800 0.148 0.000 1.123 516 F CA -1.040 56.773 58.000 -0.311 0.000 0.961 516 F CB 0.764 39.202 39.000 -0.938 0.000 1.383 516 F HN 0.322 nan 8.300 nan 0.000 0.483 517 I N -0.321 120.424 120.570 0.291 0.000 2.969 517 I HA 0.715 4.875 4.170 -0.017 0.000 0.307 517 I C -1.532 174.755 176.117 0.284 0.000 1.149 517 I CA -1.259 60.127 61.300 0.144 0.000 1.008 517 I CB 2.573 40.650 38.000 0.128 0.000 1.232 517 I HN 0.644 nan 8.210 nan 0.000 0.435 518 I N 4.032 124.705 120.570 0.173 0.000 2.460 518 I HA 0.495 4.655 4.170 -0.017 0.000 0.298 518 I C -0.831 175.420 176.117 0.224 0.000 0.989 518 I CA -0.739 60.702 61.300 0.235 0.000 1.173 518 I CB 1.851 39.943 38.000 0.153 0.000 1.338 518 I HN 0.374 nan 8.210 nan 0.000 0.456 519 L N 5.787 127.208 121.223 0.331 0.000 2.504 519 L HA 0.383 4.713 4.340 -0.017 0.000 0.265 519 L C -0.891 176.127 176.870 0.247 0.000 0.975 519 L CA -0.747 54.250 54.840 0.262 0.000 0.864 519 L CB 1.410 43.633 42.059 0.274 0.000 1.212 519 L HN 0.626 nan 8.230 nan 0.000 0.416 520 N N 3.224 122.001 118.700 0.128 0.000 2.671 520 N HA -0.196 4.533 4.740 -0.017 0.000 0.261 520 N C 0.537 176.104 175.510 0.096 0.000 1.053 520 N CA 1.144 54.248 53.050 0.091 0.000 0.732 520 N CB -0.702 37.828 38.487 0.073 0.000 0.887 520 N HN 0.822 nan 8.380 nan 0.000 0.546 521 E N -4.087 116.163 120.200 0.082 0.000 5.086 521 E HA -0.264 4.076 4.350 -0.017 0.000 0.187 521 E C -0.118 176.517 176.600 0.059 0.000 1.056 521 E CA 2.189 58.626 56.400 0.062 0.000 2.105 521 E CB -1.387 28.337 29.700 0.040 0.000 1.787 521 E HN 0.612 nan 8.360 nan 0.000 0.445 522 T N 3.220 117.817 114.554 0.071 0.000 2.869 522 T HA 0.312 4.652 4.350 -0.017 0.000 0.295 522 T C 0.393 175.040 174.700 -0.088 0.000 0.987 522 T CA -0.147 61.919 62.100 -0.058 0.000 1.109 522 T CB 1.097 69.879 68.868 -0.143 0.000 0.932 522 T HN 0.118 nan 8.240 nan 0.000 0.518 523 K N 2.326 122.604 120.400 -0.203 0.000 2.183 523 K HA 0.555 4.865 4.320 -0.017 0.000 0.274 523 K C -1.340 175.096 176.600 -0.273 0.000 1.009 523 K CA -0.614 55.653 56.287 -0.034 0.000 0.888 523 K CB 0.854 33.348 32.500 -0.010 0.000 1.078 523 K HN 0.349 nan 8.250 nan 0.000 0.459 524 F N 1.539 121.674 119.950 0.309 0.000 2.507 524 F HA 0.363 4.880 4.527 -0.017 0.000 0.325 524 F C -0.619 175.433 175.800 0.420 0.000 1.116 524 F CA -0.788 57.409 58.000 0.329 0.000 0.930 524 F CB 1.087 40.267 39.000 0.300 0.000 1.146 524 F HN 0.520 nan 8.300 nan 0.000 0.447 525 W N 3.256 124.780 121.300 0.373 0.000 2.303 525 W HA 0.504 5.154 4.660 -0.017 0.000 0.334 525 W C -0.486 176.300 176.519 0.445 0.000 1.197 525 W CA -0.559 56.998 57.345 0.354 0.000 1.262 525 W CB 0.422 29.985 29.460 0.172 0.000 1.153 525 W HN 0.465 nan 8.180 nan 0.000 0.596 526 Y N -0.759 119.933 120.300 0.653 0.000 2.689 526 Y HA 0.701 5.240 4.550 -0.017 0.000 0.333 526 Y C -1.016 175.134 175.900 0.417 0.000 1.190 526 Y CA -1.924 56.535 58.100 0.599 0.000 1.063 526 Y CB 1.088 40.047 38.460 0.832 0.000 1.294 526 Y HN 0.557 nan 8.280 nan 0.000 0.466 527 Q N 1.326 121.426 119.800 0.500 0.000 2.456 527 Q HA 0.773 5.103 4.340 -0.017 0.000 0.284 527 Q C -1.916 174.231 176.000 0.245 0.000 1.061 527 Q CA -1.188 54.767 55.803 0.254 0.000 0.799 527 Q CB 3.363 32.200 28.738 0.165 0.000 1.445 527 Q HN 0.855 nan 8.270 nan 0.000 0.411 528 M N 2.146 121.802 119.600 0.094 0.000 2.271 528 M HA 0.409 4.879 4.480 -0.017 0.000 0.285 528 M C -1.383 174.844 176.300 -0.121 0.000 1.059 528 M CA -0.830 54.451 55.300 -0.032 0.000 0.940 528 M CB 2.295 34.843 32.600 -0.088 0.000 1.636 528 M HN 0.595 nan 8.290 nan 0.000 0.460 529 I N 5.093 125.585 120.570 -0.130 0.000 2.291 529 I HA 0.303 4.463 4.170 -0.017 0.000 0.292 529 I C -0.328 175.638 176.117 -0.252 0.000 1.064 529 I CA -0.182 61.018 61.300 -0.167 0.000 1.269 529 I CB -0.134 37.786 38.000 -0.132 0.000 1.418 529 I HN 0.640 nan 8.210 nan 0.000 0.485 530 L N 8.400 129.417 121.223 -0.343 0.000 2.292 530 L HA 0.391 4.721 4.340 -0.017 0.000 0.284 530 L C -2.075 174.603 176.870 -0.321 0.000 1.065 530 L CA -1.728 52.809 54.840 -0.505 0.000 0.806 530 L CB 0.804 42.351 42.059 -0.852 0.000 1.175 530 L HN 0.242 nan 8.230 nan 0.000 0.431 531 P HA 0.022 nan 4.420 nan 0.000 0.269 531 P C -2.431 174.819 177.300 -0.083 0.000 1.217 531 P CA -0.762 62.262 63.100 -0.127 0.000 0.783 531 P CB -0.193 31.487 31.700 -0.034 0.000 0.898 532 P HA -0.018 nan 4.420 nan 0.000 0.271 532 P C -0.466 176.762 177.300 -0.121 0.000 1.216 532 P CA 0.389 63.356 63.100 -0.222 0.000 0.776 532 P CB -0.006 31.465 31.700 -0.382 0.000 0.881 533 H N -1.774 117.335 119.070 0.065 0.000 2.903 533 H HA -0.199 4.347 4.556 -0.017 0.000 0.285 533 H C 0.014 175.403 175.328 0.102 0.000 1.231 533 H CA -0.436 55.653 56.048 0.069 0.000 1.135 533 H CB -2.342 27.454 29.762 0.057 0.000 1.328 533 H HN 0.336 nan 8.280 nan 0.000 0.388 534 F N 2.692 122.649 119.950 0.011 0.000 2.604 534 F HA 0.030 4.547 4.527 -0.017 0.000 0.393 534 F C 0.576 176.374 175.800 -0.005 0.000 1.043 534 F CA 0.200 58.141 58.000 -0.098 0.000 1.227 534 F CB 0.388 39.236 39.000 -0.254 0.000 1.016 534 F HN 0.263 nan 8.300 nan 0.000 0.556 535 D N 5.912 126.019 120.400 -0.489 0.000 2.454 535 D HA 0.146 4.776 4.640 -0.017 0.000 0.247 535 D C 0.648 176.600 176.300 -0.580 0.000 1.129 535 D CA -0.599 53.166 54.000 -0.391 0.000 0.877 535 D CB 0.877 41.622 40.800 -0.092 0.000 1.082 535 D HN 0.646 nan 8.370 nan 0.000 0.537 536 K N 1.005 120.962 120.400 -0.738 0.000 2.442 536 K HA -0.110 4.200 4.320 -0.017 0.000 0.200 536 K C 1.284 177.862 176.600 -0.037 0.000 1.045 536 K CA 0.852 56.895 56.287 -0.406 0.000 0.937 536 K CB 0.071 32.477 32.500 -0.156 0.000 0.757 536 K HN 0.053 nan 8.250 nan 0.000 0.474 537 S N 0.598 116.251 115.700 -0.079 0.000 2.362 537 S HA 0.002 4.462 4.470 -0.017 0.000 0.221 537 S C 0.477 175.064 174.600 -0.023 0.000 1.032 537 S CA 0.500 58.683 58.200 -0.029 0.000 0.973 537 S CB 0.038 63.209 63.200 -0.049 0.000 0.849 537 S HN 0.315 nan 8.310 nan 0.000 0.465 538 K N 1.470 121.833 120.400 -0.061 0.000 2.230 538 K HA 0.160 4.469 4.320 -0.017 0.000 0.253 538 K C -0.329 176.221 176.600 -0.083 0.000 1.008 538 K CA 0.449 56.643 56.287 -0.156 0.000 0.910 538 K CB 0.350 32.631 32.500 -0.365 0.000 0.994 538 K HN 0.080 nan 8.250 nan 0.000 0.495 539 K N 2.347 122.639 120.400 -0.181 0.000 2.307 539 K HA 0.239 4.549 4.320 -0.017 0.000 0.263 539 K C -1.215 175.290 176.600 -0.158 0.000 0.973 539 K CA -0.504 55.757 56.287 -0.044 0.000 0.846 539 K CB 0.904 33.371 32.500 -0.054 0.000 1.100 539 K HN 0.342 nan 8.250 nan 0.000 0.438 540 Y N 2.800 123.127 120.300 0.045 0.000 2.457 540 Y HA 0.295 4.835 4.550 -0.017 0.000 0.333 540 Y C -1.965 173.859 175.900 -0.127 0.000 1.119 540 Y CA -2.675 55.418 58.100 -0.012 0.000 1.143 540 Y CB 0.763 39.272 38.460 0.081 0.000 1.230 540 Y HN 0.465 nan 8.280 nan 0.000 0.469 541 P HA 0.207 nan 4.420 nan 0.000 0.279 541 P C -1.126 175.951 177.300 -0.371 0.000 1.239 541 P CA -0.230 62.552 63.100 -0.530 0.000 0.789 541 P CB 1.703 32.725 31.700 -1.128 0.000 0.933 542 L N 3.576 124.641 121.223 -0.263 0.000 2.341 542 L HA 0.525 4.855 4.340 -0.017 0.000 0.278 542 L C -0.988 176.015 176.870 0.223 0.000 1.005 542 L CA -1.063 53.770 54.840 -0.012 0.000 0.818 542 L CB 1.480 43.549 42.059 0.018 0.000 1.259 542 L HN 0.276 nan 8.230 nan 0.000 0.418 543 L N 5.591 126.978 121.223 0.273 0.000 2.305 543 L HA 0.433 4.763 4.340 -0.017 0.000 0.284 543 L C -1.188 175.901 176.870 0.366 0.000 1.013 543 L CA -0.903 54.183 54.840 0.410 0.000 0.819 543 L CB 1.732 44.005 42.059 0.357 0.000 1.227 543 L HN 0.601 nan 8.230 nan 0.000 0.417 544 L N 5.241 126.732 121.223 0.446 0.000 2.268 544 L HA 0.325 4.654 4.340 -0.017 0.000 0.289 544 L C -0.237 176.850 176.870 0.362 0.000 1.064 544 L CA 0.056 55.139 54.840 0.404 0.000 0.824 544 L CB 0.735 43.089 42.059 0.492 0.000 1.202 544 L HN 0.468 nan 8.230 nan 0.000 0.433 545 D N 4.173 124.760 120.400 0.312 0.000 2.336 545 D HA 0.214 4.844 4.640 -0.017 0.000 0.249 545 D C -0.931 175.435 176.300 0.110 0.000 1.213 545 D CA 0.238 54.340 54.000 0.170 0.000 0.870 545 D CB 1.196 42.154 40.800 0.264 0.000 1.076 545 D HN 0.342 nan 8.370 nan 0.000 0.483 546 V N 5.445 125.354 119.914 -0.008 0.000 2.823 546 V HA 0.461 4.571 4.120 -0.017 0.000 0.312 546 V C -1.098 175.078 176.094 0.136 0.000 1.072 546 V CA -0.434 61.930 62.300 0.106 0.000 0.937 546 V CB 1.920 33.816 31.823 0.120 0.000 1.013 546 V HN 0.635 nan 8.190 nan 0.000 0.430 547 Y N 4.812 125.174 120.300 0.102 0.000 3.266 547 Y HA 0.582 5.121 4.550 -0.017 0.000 0.189 547 Y C 1.449 177.475 175.900 0.211 0.000 0.895 547 Y CA 1.328 59.518 58.100 0.150 0.000 1.706 547 Y CB 0.002 38.529 38.460 0.112 0.000 1.449 547 Y HN 1.282 nan 8.280 nan 0.000 0.391 548 A N 1.205 124.113 122.820 0.146 0.000 2.832 548 A HA -0.120 4.189 4.320 -0.017 0.000 0.280 548 A C 0.821 178.185 177.584 -0.367 0.000 1.464 548 A CA 1.021 53.068 52.037 0.018 0.000 0.804 548 A CB -2.305 16.769 19.000 0.123 0.000 1.020 548 A HN 0.999 nan 8.150 nan 0.000 0.563 549 G N -0.541 107.763 108.800 -0.827 0.000 2.599 549 G HA2 0.554 4.504 3.960 -0.017 0.000 0.264 549 G HA3 0.554 4.504 3.960 -0.017 0.000 0.264 549 G C -1.901 172.630 174.900 -0.616 0.000 1.200 549 G CA -0.871 43.303 45.100 -1.544 0.000 0.896 549 G HN 0.402 nan 8.290 nan 0.000 0.536 550 P HA 0.015 nan 4.420 nan 0.000 0.264 550 P C 0.556 177.693 177.300 -0.272 0.000 1.193 550 P CA 0.258 63.069 63.100 -0.483 0.000 0.763 550 P CB 0.742 31.809 31.700 -1.055 0.000 0.810 551 C N 2.381 121.593 119.300 -0.147 0.000 4.454 551 C HA -0.123 4.327 4.460 -0.017 0.000 0.298 551 C C 0.859 175.846 174.990 -0.006 0.000 1.384 551 C CA 1.068 59.974 59.018 -0.187 0.000 2.002 551 C CB -2.680 24.830 27.740 -0.384 0.000 1.249 551 C HN 0.829 nan 8.230 nan 0.000 0.783 552 S N -0.008 115.751 115.700 0.098 0.000 2.722 552 S HA 0.738 5.198 4.470 -0.017 0.000 0.292 552 S C -0.778 173.975 174.600 0.254 0.000 1.135 552 S CA -0.149 58.209 58.200 0.263 0.000 1.003 552 S CB 1.891 65.331 63.200 0.400 0.000 1.067 552 S HN 0.838 nan 8.310 nan 0.000 0.546 553 Q N 0.048 120.030 119.800 0.304 0.000 2.309 553 Q HA 0.369 4.699 4.340 -0.017 0.000 0.254 553 Q C -0.810 175.316 176.000 0.210 0.000 0.938 553 Q CA -0.553 55.420 55.803 0.282 0.000 0.789 553 Q CB 1.078 30.047 28.738 0.386 0.000 1.313 553 Q HN 0.692 nan 8.270 nan 0.000 0.438 554 K N 1.074 121.594 120.400 0.199 0.000 2.358 554 K HA 0.335 4.645 4.320 -0.017 0.000 0.200 554 K C -0.424 176.283 176.600 0.178 0.000 1.030 554 K CA 0.270 56.664 56.287 0.178 0.000 1.097 554 K CB 1.516 34.144 32.500 0.212 0.000 0.862 554 K HN 0.486 nan 8.250 nan 0.000 0.534 555 A N 2.688 125.623 122.820 0.192 0.000 2.316 555 A HA 0.433 4.743 4.320 -0.017 0.000 0.324 555 A C -0.831 176.834 177.584 0.135 0.000 1.375 555 A CA -0.563 51.594 52.037 0.201 0.000 0.882 555 A CB 0.155 19.335 19.000 0.301 0.000 1.152 555 A HN 0.234 nan 8.150 nan 0.000 0.512 556 D N -0.156 120.300 120.400 0.093 0.000 2.752 556 D HA 0.443 5.073 4.640 -0.017 0.000 0.313 556 D C 0.427 176.754 176.300 0.044 0.000 1.225 556 D CA 0.288 54.331 54.000 0.071 0.000 0.976 556 D CB 0.325 41.170 40.800 0.076 0.000 1.443 556 D HN 0.153 nan 8.370 nan 0.000 0.515 557 T N -2.309 112.288 114.554 0.072 0.000 3.186 557 T HA 0.325 4.665 4.350 -0.017 0.000 0.257 557 T C 0.402 175.082 174.700 -0.033 0.000 1.029 557 T CA -0.393 61.741 62.100 0.056 0.000 0.916 557 T CB -0.686 68.254 68.868 0.120 0.000 1.041 557 T HN 0.269 nan 8.240 nan 0.000 0.562 558 V N 2.435 122.225 119.914 -0.207 0.000 2.715 558 V HA 0.317 4.427 4.120 -0.017 0.000 0.299 558 V C 0.099 176.143 176.094 -0.083 0.000 1.054 558 V CA -0.875 61.257 62.300 -0.280 0.000 1.077 558 V CB 0.132 31.663 31.823 -0.488 0.000 0.972 558 V HN 0.558 nan 8.190 nan 0.000 0.484 559 F N 6.101 125.956 119.950 -0.158 0.000 2.420 559 F HA 0.574 5.091 4.527 -0.017 0.000 0.352 559 F C 0.464 176.208 175.800 -0.094 0.000 1.108 559 F CA -0.248 57.685 58.000 -0.111 0.000 1.162 559 F CB 0.316 39.259 39.000 -0.095 0.000 1.118 559 F HN 0.426 nan 8.300 nan 0.000 0.510 560 R N 5.457 125.507 120.500 -0.749 0.000 2.744 560 R HA 0.599 4.929 4.340 -0.017 0.000 0.279 560 R C -1.907 173.980 176.300 -0.689 0.000 0.977 560 R CA -1.283 54.500 56.100 -0.528 0.000 0.906 560 R CB 2.002 32.146 30.300 -0.259 0.000 1.197 560 R HN 0.482 nan 8.270 nan 0.000 0.463 561 L N 3.923 124.925 121.223 -0.368 0.000 2.384 561 L HA 0.340 4.669 4.340 -0.017 0.000 0.261 561 L C -0.959 175.890 176.870 -0.036 0.000 1.024 561 L CA -0.404 54.266 54.840 -0.284 0.000 0.899 561 L CB 0.416 42.430 42.059 -0.074 0.000 1.243 561 L HN 0.739 nan 8.230 nan 0.000 0.449 562 N N 0.064 118.673 118.700 -0.152 0.000 3.479 562 N HA 0.197 4.927 4.740 -0.017 0.000 0.336 562 N C 0.467 175.653 175.510 -0.540 0.000 1.623 562 N CA -0.813 52.036 53.050 -0.334 0.000 0.759 562 N CB -0.094 38.313 38.487 -0.134 0.000 2.016 562 N HN 0.190 nan 8.380 nan 0.000 0.637 563 W N 0.575 121.271 121.300 -1.006 0.000 2.342 563 W HA 0.120 4.771 4.660 -0.016 0.000 0.297 563 W C 2.031 178.522 176.519 -0.048 0.000 1.213 563 W CA 2.815 59.836 57.345 -0.540 0.000 1.251 563 W CB -0.971 28.305 29.460 -0.306 0.000 1.136 563 W HN 0.693 nan 8.180 nan 0.000 0.526 564 A N -0.562 122.258 122.820 0.000 0.000 1.972 564 A HA -0.208 4.102 4.320 -0.017 0.000 0.219 564 A C 1.941 179.442 177.584 -0.139 0.000 1.169 564 A CA 2.456 54.433 52.037 -0.101 0.000 0.635 564 A CB -1.275 17.742 19.000 0.028 0.000 0.810 564 A HN 0.299 nan 8.150 nan 0.000 0.446 565 T N -1.267 113.223 114.554 -0.108 0.000 2.746 565 T HA -0.199 4.141 4.350 -0.017 0.000 0.267 565 T C 1.804 176.551 174.700 0.078 0.000 1.039 565 T CA 1.731 63.751 62.100 -0.133 0.000 1.142 565 T CB -0.470 68.159 68.868 -0.399 0.000 0.866 565 T HN 0.690 nan 8.240 nan 0.000 0.444 566 Y N 2.055 122.447 120.300 0.152 0.000 2.200 566 Y HA -0.025 4.515 4.550 -0.017 0.000 0.290 566 Y C 1.946 177.823 175.900 -0.038 0.000 1.137 566 Y CA 0.904 59.095 58.100 0.152 0.000 1.163 566 Y CB -0.742 37.784 38.460 0.111 0.000 0.988 566 Y HN 0.114 nan 8.280 nan 0.000 0.518 567 L N 0.261 121.087 121.223 -0.662 0.000 2.042 567 L HA -0.247 4.083 4.340 -0.017 0.000 0.210 567 L C 2.827 179.447 176.870 -0.417 0.000 1.076 567 L CA 1.473 55.866 54.840 -0.745 0.000 0.749 567 L CB -1.025 40.660 42.059 -0.623 0.000 0.893 567 L HN 0.417 nan 8.230 nan 0.000 0.432 568 A N -1.341 121.318 122.820 -0.269 0.000 1.898 568 A HA -0.167 4.143 4.320 -0.017 0.000 0.214 568 A C 2.514 180.019 177.584 -0.132 0.000 1.183 568 A CA 1.705 53.635 52.037 -0.177 0.000 0.622 568 A CB -0.541 18.356 19.000 -0.170 0.000 0.824 568 A HN 0.339 nan 8.150 nan 0.000 0.444 569 S N -1.223 114.414 115.700 -0.104 0.000 2.357 569 S HA -0.101 4.359 4.470 -0.017 0.000 0.221 569 S C 1.982 176.569 174.600 -0.022 0.000 1.031 569 S CA 2.179 60.359 58.200 -0.034 0.000 0.982 569 S CB -0.345 62.895 63.200 0.067 0.000 0.853 569 S HN 0.560 nan 8.310 nan 0.000 0.458 570 T N 1.195 115.705 114.554 -0.074 0.000 2.983 570 T HA 0.180 4.519 4.350 -0.017 0.000 0.250 570 T C 1.276 175.919 174.700 -0.095 0.000 1.037 570 T CA 0.546 62.621 62.100 -0.042 0.000 1.142 570 T CB -0.060 68.854 68.868 0.076 0.000 0.876 570 T HN 0.309 nan 8.240 nan 0.000 0.455 571 E N 1.247 121.305 120.200 -0.236 0.000 2.474 571 E HA 0.169 4.509 4.350 -0.017 0.000 0.195 571 E C -0.145 176.424 176.600 -0.053 0.000 1.039 571 E CA -0.091 56.225 56.400 -0.140 0.000 0.881 571 E CB -0.283 29.289 29.700 -0.213 0.000 0.970 571 E HN 0.460 nan 8.360 nan 0.000 0.486 572 N N 0.814 119.491 118.700 -0.038 0.000 2.714 572 N HA -0.193 4.537 4.740 -0.017 0.000 0.253 572 N C -0.918 174.655 175.510 0.105 0.000 1.024 572 N CA 0.449 53.544 53.050 0.075 0.000 0.726 572 N CB -1.318 37.267 38.487 0.162 0.000 0.908 572 N HN 0.251 nan 8.380 nan 0.000 0.542 573 I N 0.482 121.040 120.570 -0.020 0.000 2.412 573 I HA 0.378 4.538 4.170 -0.017 0.000 0.296 573 I C 0.556 176.632 176.117 -0.068 0.000 0.987 573 I CA -0.911 60.373 61.300 -0.028 0.000 1.180 573 I CB 1.430 39.413 38.000 -0.028 0.000 1.340 573 I HN 0.034 nan 8.210 nan 0.000 0.455 574 I N 6.187 126.724 120.570 -0.055 0.000 2.371 574 I HA 0.190 4.350 4.170 -0.017 0.000 0.290 574 I C -0.452 175.634 176.117 -0.052 0.000 1.028 574 I CA -0.481 60.755 61.300 -0.107 0.000 1.345 574 I CB 1.218 39.161 38.000 -0.095 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.501 575 V N 6.824 126.701 119.914 -0.061 0.000 2.334 575 V HA 0.586 4.696 4.120 -0.017 0.000 0.281 575 V C 0.370 176.479 176.094 0.025 0.000 1.016 575 V CA -0.448 61.866 62.300 0.023 0.000 0.832 575 V CB 1.081 32.919 31.823 0.026 0.000 0.999 575 V HN 0.834 nan 8.190 nan 0.000 0.439 576 A N 3.984 126.836 122.820 0.053 0.000 2.330 576 A HA 0.959 5.268 4.320 -0.017 0.000 0.329 576 A C -0.118 177.593 177.584 0.213 0.000 1.135 576 A CA -0.532 51.531 52.037 0.043 0.000 0.817 576 A CB 1.643 20.489 19.000 -0.257 0.000 1.269 576 A HN 0.688 nan 8.150 nan 0.000 0.469 577 S N -0.334 115.549 115.700 0.306 0.000 2.548 577 S HA 0.679 5.139 4.470 -0.017 0.000 0.276 577 S C -1.520 173.422 174.600 0.571 0.000 1.129 577 S CA -0.301 58.128 58.200 0.381 0.000 0.931 577 S CB 1.234 64.603 63.200 0.282 0.000 1.068 577 S HN 0.756 nan 8.310 nan 0.000 0.480 578 F N 2.041 122.222 119.950 0.385 0.000 2.565 578 F HA 0.532 5.048 4.527 -0.017 0.000 0.313 578 F C -1.456 174.546 175.800 0.337 0.000 1.091 578 F CA -0.853 57.402 58.000 0.424 0.000 0.915 578 F CB 1.529 40.764 39.000 0.392 0.000 1.208 578 F HN 0.400 nan 8.300 nan 0.000 0.453 579 D N 4.390 124.507 120.400 -0.472 0.000 2.454 579 D HA 0.386 5.016 4.640 -0.017 0.000 0.225 579 D C 0.271 176.196 176.300 -0.625 0.000 1.081 579 D CA 0.054 53.870 54.000 -0.306 0.000 0.864 579 D CB 1.524 42.339 40.800 0.024 0.000 1.040 579 D HN 0.773 nan 8.370 nan 0.000 0.517 580 G N 1.238 109.755 108.800 -0.472 0.000 2.736 580 G HA2 0.323 4.273 3.960 -0.017 0.000 0.229 580 G HA3 0.323 4.273 3.960 -0.017 0.000 0.229 580 G C 0.100 174.964 174.900 -0.060 0.000 1.380 580 G CA -0.653 44.205 45.100 -0.404 0.000 1.040 580 G HN 0.225 nan 8.290 nan 0.000 0.568 581 R N -0.787 119.669 120.500 -0.073 0.000 2.566 581 R HA 0.368 4.698 4.340 -0.017 0.000 0.273 581 R C 1.361 177.733 176.300 0.121 0.000 0.981 581 R CA 2.008 58.170 56.100 0.104 0.000 1.091 581 R CB 0.310 30.674 30.300 0.107 0.000 0.924 581 R HN 1.321 nan 8.270 nan 0.000 0.411 582 G N 1.014 109.888 108.800 0.123 0.000 2.254 582 G HA2 -0.289 3.661 3.960 -0.017 0.000 0.225 582 G HA3 -0.289 3.661 3.960 -0.017 0.000 0.225 582 G C 0.142 175.061 174.900 0.032 0.000 1.003 582 G CA 0.117 45.267 45.100 0.083 0.000 0.622 582 G HN 0.641 nan 8.290 nan 0.000 0.507 583 S N 0.846 116.575 115.700 0.050 0.000 2.576 583 S HA 0.510 4.970 4.470 -0.017 0.000 0.272 583 S C 0.964 175.541 174.600 -0.039 0.000 1.352 583 S CA 0.396 58.618 58.200 0.036 0.000 1.021 583 S CB 1.199 64.453 63.200 0.090 0.000 0.887 583 S HN 1.336 nan 8.310 nan 0.000 0.542 584 G N -0.571 108.152 108.800 -0.128 0.000 2.601 584 G HA2 0.518 4.468 3.960 -0.017 0.000 0.317 584 G HA3 0.518 4.468 3.960 -0.017 0.000 0.317 584 G C -1.105 173.597 174.900 -0.329 0.000 1.246 584 G CA -0.790 44.061 45.100 -0.414 0.000 1.012 584 G HN 0.772 nan 8.290 nan 0.000 0.494 585 Y N -2.379 117.923 120.300 0.003 0.000 4.490 585 Y HA -0.206 4.334 4.550 -0.017 0.000 0.233 585 Y C 1.272 177.173 175.900 0.001 0.000 1.101 585 Y CA 0.967 59.070 58.100 0.006 0.000 2.010 585 Y CB -2.235 36.246 38.460 0.035 0.000 1.622 585 Y HN 0.546 nan 8.280 nan 0.000 0.675 586 Q N -0.252 119.554 119.800 0.011 0.000 2.057 586 Q HA 0.499 4.829 4.340 -0.017 0.000 0.216 586 Q C 0.879 176.744 176.000 -0.225 0.000 0.788 586 Q CA 0.206 56.017 55.803 0.014 0.000 1.053 586 Q CB 1.699 30.449 28.738 0.020 0.000 1.210 586 Q HN 0.627 nan 8.270 nan 0.000 0.455 587 G N 0.781 109.324 108.800 -0.429 0.000 2.663 587 G HA2 -0.180 3.770 3.960 -0.017 0.000 0.686 587 G HA3 -0.180 3.770 3.960 -0.017 0.000 0.686 587 G C -0.472 174.056 174.900 -0.620 0.000 1.246 587 G CA -0.548 44.035 45.100 -0.863 0.000 0.795 587 G HN 0.115 nan 8.290 nan 0.000 0.627 588 D N -0.062 119.927 120.400 -0.684 0.000 2.264 588 D HA -0.049 4.581 4.640 -0.017 0.000 0.208 588 D C 2.153 178.174 176.300 -0.464 0.000 0.966 588 D CA 1.271 54.818 54.000 -0.755 0.000 0.864 588 D CB 0.085 40.360 40.800 -0.875 0.000 0.933 588 D HN 0.599 nan 8.370 nan 0.000 0.499 589 K N 0.254 120.442 120.400 -0.355 0.000 2.148 589 K HA -0.040 4.270 4.320 -0.017 0.000 0.204 589 K C 1.884 178.421 176.600 -0.105 0.000 1.050 589 K CA 0.703 56.878 56.287 -0.186 0.000 0.942 589 K CB 0.112 32.522 32.500 -0.151 0.000 0.724 589 K HN 0.111 nan 8.250 nan 0.000 0.446 590 I N 0.062 120.558 120.570 -0.124 0.000 2.429 590 I HA -0.152 4.008 4.170 -0.017 0.000 0.247 590 I C 2.513 178.635 176.117 0.009 0.000 1.099 590 I CA 0.489 61.792 61.300 0.005 0.000 1.422 590 I CB -0.083 37.937 38.000 0.034 0.000 1.112 590 I HN 0.226 nan 8.210 nan 0.000 0.430 591 M N 0.335 119.876 119.600 -0.098 0.000 2.086 591 M HA -0.235 4.235 4.480 -0.017 0.000 0.261 591 M C 1.923 178.284 176.300 0.102 0.000 1.067 591 M CA 2.034 57.306 55.300 -0.047 0.000 1.116 591 M CB -0.325 32.160 32.600 -0.192 0.000 1.348 591 M HN 0.263 nan 8.290 nan 0.000 0.407 592 H N -0.685 118.289 119.070 -0.160 0.000 2.547 592 H HA 0.152 4.698 4.556 -0.017 0.000 0.266 592 H C 1.790 177.126 175.328 0.014 0.000 0.988 592 H CA 0.102 56.053 56.048 -0.161 0.000 1.147 592 H CB 0.143 29.711 29.762 -0.322 0.000 1.365 592 H HN 0.533 nan 8.280 nan 0.000 0.589 593 A N 1.488 124.408 122.820 0.167 0.000 2.070 593 A HA -0.110 4.200 4.320 -0.017 0.000 0.220 593 A C 1.967 179.743 177.584 0.320 0.000 1.159 593 A CA 0.935 53.085 52.037 0.189 0.000 0.656 593 A CB -0.607 18.469 19.000 0.125 0.000 0.800 593 A HN 0.575 nan 8.150 nan 0.000 0.453 594 I N -3.511 117.221 120.570 0.271 0.000 3.914 594 I HA 0.205 4.365 4.170 -0.017 0.000 0.333 594 I C 0.239 176.437 176.117 0.135 0.000 1.449 594 I CA -0.535 60.886 61.300 0.203 0.000 1.135 594 I CB -0.557 37.536 38.000 0.155 0.000 1.073 594 I HN 0.177 nan 8.210 nan 0.000 0.401 595 N N 2.835 121.647 118.700 0.187 0.000 2.412 595 N HA -0.023 4.707 4.740 -0.017 0.000 0.258 595 N C 0.197 175.725 175.510 0.030 0.000 1.236 595 N CA 0.145 53.301 53.050 0.177 0.000 0.882 595 N CB 0.354 38.905 38.487 0.106 0.000 1.066 595 N HN 0.379 nan 8.380 nan 0.000 0.465 596 R N 0.330 120.829 120.500 -0.003 0.000 4.000 596 R HA -0.213 4.117 4.340 -0.017 0.000 0.348 596 R C -0.251 175.906 176.300 -0.240 0.000 1.204 596 R CA 0.808 56.857 56.100 -0.083 0.000 0.987 596 R CB -0.909 29.361 30.300 -0.051 0.000 1.446 596 R HN 0.539 nan 8.270 nan 0.000 0.555 597 R N 0.816 121.159 120.500 -0.261 0.000 2.647 597 R HA 0.330 4.660 4.340 -0.017 0.000 0.295 597 R C -0.668 175.555 176.300 -0.128 0.000 1.267 597 R CA -0.201 55.568 56.100 -0.551 0.000 1.386 597 R CB 0.479 30.502 30.300 -0.462 0.000 1.309 597 R HN 0.077 nan 8.270 nan 0.000 0.692 598 L N -0.225 121.054 121.223 0.093 0.000 2.439 598 L HA 0.304 4.634 4.340 -0.017 0.000 0.269 598 L C 1.234 178.353 176.870 0.416 0.000 1.179 598 L CA 0.859 55.792 54.840 0.155 0.000 0.828 598 L CB 0.806 42.749 42.059 -0.194 0.000 1.106 598 L HN 0.723 nan 8.230 nan 0.000 0.467 599 G N 0.891 109.952 108.800 0.435 0.000 2.136 599 G HA2 -0.290 3.660 3.960 -0.017 0.000 0.242 599 G HA3 -0.290 3.660 3.960 -0.017 0.000 0.242 599 G C 0.461 175.441 174.900 0.133 0.000 0.989 599 G CA 0.558 45.864 45.100 0.344 0.000 0.682 599 G HN 0.809 nan 8.290 nan 0.000 0.522 600 T N -3.274 111.313 114.554 0.056 0.000 3.330 600 T HA 0.462 4.802 4.350 -0.017 0.000 0.185 600 T C 1.686 176.339 174.700 -0.078 0.000 0.874 600 T CA 0.961 62.983 62.100 -0.129 0.000 1.268 600 T CB -0.091 68.510 68.868 -0.444 0.000 1.866 600 T HN 0.128 nan 8.240 nan 0.000 0.395 601 F N 3.465 123.453 119.950 0.065 0.000 2.171 601 F HA 0.080 4.597 4.527 -0.017 0.000 0.300 601 F C 2.817 178.648 175.800 0.051 0.000 1.090 601 F CA 1.097 59.124 58.000 0.044 0.000 1.293 601 F CB -0.732 38.288 39.000 0.034 0.000 1.013 601 F HN 0.488 nan 8.300 nan 0.000 0.486 602 E N 0.995 121.342 120.200 0.244 0.000 2.153 602 E HA -0.168 4.172 4.350 -0.017 0.000 0.194 602 E C 2.291 178.994 176.600 0.171 0.000 0.988 602 E CA 1.663 58.178 56.400 0.192 0.000 0.811 602 E CB -1.239 28.573 29.700 0.188 0.000 0.746 602 E HN 0.368 nan 8.360 nan 0.000 0.466 603 V N 0.529 120.522 119.914 0.133 0.000 2.535 603 V HA -0.109 4.001 4.120 -0.017 0.000 0.246 603 V C 2.026 178.167 176.094 0.079 0.000 1.045 603 V CA 1.617 63.959 62.300 0.070 0.000 1.058 603 V CB -0.153 31.655 31.823 -0.025 0.000 0.689 603 V HN 0.122 nan 8.190 nan 0.000 0.461 604 E N 0.165 120.427 120.200 0.103 0.000 2.051 604 E HA -0.233 4.107 4.350 -0.017 0.000 0.192 604 E C 1.946 178.597 176.600 0.085 0.000 0.991 604 E CA 1.779 58.240 56.400 0.101 0.000 0.799 604 E CB -0.220 29.577 29.700 0.162 0.000 0.748 604 E HN 0.641 nan 8.360 nan 0.000 0.449 605 D N 0.320 120.788 120.400 0.113 0.000 2.182 605 D HA -0.164 4.466 4.640 -0.017 0.000 0.201 605 D C 1.928 178.293 176.300 0.108 0.000 0.986 605 D CA 0.920 54.977 54.000 0.095 0.000 0.847 605 D CB -0.166 40.722 40.800 0.147 0.000 0.942 605 D HN 0.040 nan 8.370 nan 0.000 0.467 606 Q N 0.251 120.160 119.800 0.181 0.000 2.079 606 Q HA -0.000 4.330 4.340 -0.017 0.000 0.200 606 Q C 2.196 178.280 176.000 0.141 0.000 0.974 606 Q CA 0.833 56.761 55.803 0.208 0.000 0.840 606 Q CB -0.224 28.627 28.738 0.189 0.000 0.898 606 Q HN 0.331 nan 8.270 nan 0.000 0.430 607 I N 0.104 120.754 120.570 0.133 0.000 2.179 607 I HA -0.240 3.920 4.170 -0.017 0.000 0.242 607 I C 2.182 178.296 176.117 -0.004 0.000 1.088 607 I CA 1.360 62.772 61.300 0.187 0.000 1.357 607 I CB -0.263 37.821 38.000 0.140 0.000 1.051 607 I HN 0.245 nan 8.210 nan 0.000 0.409 608 E N 1.560 121.702 120.200 -0.095 0.000 2.110 608 E HA -0.197 4.143 4.350 -0.017 0.000 0.193 608 E C 2.077 178.414 176.600 -0.438 0.000 0.988 608 E CA 1.701 57.972 56.400 -0.215 0.000 0.804 608 E CB -0.168 29.423 29.700 -0.182 0.000 0.745 608 E HN 0.413 nan 8.360 nan 0.000 0.458 609 A N 0.712 123.141 122.820 -0.652 0.000 1.902 609 A HA -0.010 4.300 4.320 -0.017 0.000 0.217 609 A C 2.438 179.313 177.584 -1.182 0.000 1.181 609 A CA 2.029 53.337 52.037 -1.215 0.000 0.623 609 A CB -0.972 17.025 19.000 -1.672 0.000 0.818 609 A HN 0.385 nan 8.150 nan 0.000 0.443 610 A N -0.459 122.083 122.820 -0.464 0.000 1.969 610 A HA -0.116 4.194 4.320 -0.017 0.000 0.218 610 A C 2.220 179.640 177.584 -0.273 0.000 1.169 610 A CA 1.578 53.525 52.037 -0.150 0.000 0.635 610 A CB -0.457 18.552 19.000 0.016 0.000 0.810 610 A HN 0.558 nan 8.150 nan 0.000 0.445 611 R N -0.377 119.937 120.500 -0.310 0.000 2.081 611 R HA -0.146 4.184 4.340 -0.017 0.000 0.235 611 R C 2.234 178.371 176.300 -0.273 0.000 1.131 611 R CA 1.718 57.664 56.100 -0.257 0.000 0.960 611 R CB -0.263 29.913 30.300 -0.205 0.000 0.856 611 R HN 0.664 nan 8.270 nan 0.000 0.436 612 Q N -0.710 118.850 119.800 -0.400 0.000 2.123 612 Q HA -0.128 4.202 4.340 -0.017 0.000 0.199 612 Q C 1.880 177.705 176.000 -0.292 0.000 0.966 612 Q CA 1.146 56.726 55.803 -0.372 0.000 0.845 612 Q CB -0.017 28.436 28.738 -0.475 0.000 0.907 612 Q HN 0.307 nan 8.270 nan 0.000 0.439 613 F N 1.137 120.919 119.950 -0.279 0.000 2.134 613 F HA -0.156 4.361 4.527 -0.017 0.000 0.299 613 F C 2.664 178.299 175.800 -0.276 0.000 1.097 613 F CA 1.342 59.169 58.000 -0.289 0.000 1.264 613 F CB -1.080 37.776 39.000 -0.241 0.000 1.001 613 F HN 0.046 nan 8.300 nan 0.000 0.479 614 S N -1.054 114.614 115.700 -0.053 0.000 2.595 614 S HA -0.083 4.377 4.470 -0.017 0.000 0.235 614 S C 1.342 175.859 174.600 -0.138 0.000 0.974 614 S CA 0.667 58.801 58.200 -0.110 0.000 0.942 614 S CB -0.348 62.771 63.200 -0.135 0.000 0.766 614 S HN 0.208 nan 8.310 nan 0.000 0.536 615 K N -0.010 120.298 120.400 -0.154 0.000 2.537 615 K HA 0.410 4.719 4.320 -0.017 0.000 0.206 615 K C 0.425 176.918 176.600 -0.179 0.000 1.041 615 K CA -0.047 56.151 56.287 -0.148 0.000 1.090 615 K CB 0.202 32.624 32.500 -0.130 0.000 0.833 615 K HN 0.414 nan 8.250 nan 0.000 0.493 616 M N -1.156 118.277 119.600 -0.278 0.000 2.509 616 M HA 0.037 4.507 4.480 -0.017 0.000 0.250 616 M C 1.058 177.088 176.300 -0.450 0.000 1.132 616 M CA 0.865 55.920 55.300 -0.408 0.000 1.080 616 M CB 0.635 32.835 32.600 -0.666 0.000 1.408 616 M HN 0.412 nan 8.290 nan 0.000 0.484 617 G N 0.484 109.081 108.800 -0.338 0.000 2.308 617 G HA2 -0.290 3.659 3.960 -0.017 0.000 0.221 617 G HA3 -0.290 3.659 3.960 -0.017 0.000 0.221 617 G C 0.408 175.274 174.900 -0.056 0.000 1.032 617 G CA 0.277 45.285 45.100 -0.154 0.000 0.623 617 G HN 0.553 nan 8.290 nan 0.000 0.506 618 F N 0.768 120.771 119.950 0.088 0.000 2.708 618 F HA 0.794 5.311 4.527 -0.017 0.000 0.300 618 F C -0.087 175.834 175.800 0.200 0.000 1.118 618 F CA -1.329 56.764 58.000 0.156 0.000 1.307 618 F CB 0.327 39.456 39.000 0.214 0.000 0.986 618 F HN 0.098 nan 8.300 nan 0.000 0.522 619 V N 1.321 121.222 119.914 -0.022 0.000 2.444 619 V HA 0.219 4.328 4.120 -0.017 0.000 0.294 619 V C -0.822 175.250 176.094 -0.036 0.000 1.022 619 V CA -0.734 61.568 62.300 0.003 0.000 0.850 619 V CB 1.599 33.359 31.823 -0.105 0.000 0.992 619 V HN 0.101 nan 8.190 nan 0.000 0.426 620 D N 4.166 124.548 120.400 -0.030 0.000 2.383 620 D HA 0.035 4.665 4.640 -0.017 0.000 0.245 620 D C 1.295 177.550 176.300 -0.074 0.000 1.263 620 D CA -0.215 53.746 54.000 -0.065 0.000 0.936 620 D CB 0.601 41.346 40.800 -0.091 0.000 1.053 620 D HN 0.638 nan 8.370 nan 0.000 0.507 621 N N 3.165 121.821 118.700 -0.074 0.000 2.635 621 N HA -0.178 4.552 4.740 -0.017 0.000 0.191 621 N C 0.649 176.121 175.510 -0.063 0.000 1.155 621 N CA 0.798 53.799 53.050 -0.083 0.000 0.927 621 N CB -0.116 38.316 38.487 -0.092 0.000 0.976 621 N HN 0.386 nan 8.380 nan 0.000 0.448 622 K N -0.408 119.966 120.400 -0.044 0.000 2.374 622 K HA 0.209 4.519 4.320 -0.017 0.000 0.196 622 K C 0.049 176.665 176.600 0.026 0.000 1.023 622 K CA 0.061 56.340 56.287 -0.013 0.000 1.103 622 K CB 0.536 33.028 32.500 -0.014 0.000 0.848 622 K HN 0.131 nan 8.250 nan 0.000 0.528 623 R N 1.260 121.763 120.500 0.006 0.000 2.644 623 R HA 0.354 4.684 4.340 -0.017 0.000 0.271 623 R C -1.090 175.253 176.300 0.072 0.000 1.687 623 R CA -0.129 56.013 56.100 0.070 0.000 1.655 623 R CB 0.682 30.902 30.300 -0.133 0.000 1.285 623 R HN -0.015 nan 8.270 nan 0.000 0.643 624 I N 1.283 121.981 120.570 0.214 0.000 2.418 624 I HA 0.530 4.690 4.170 -0.017 0.000 0.287 624 I C -0.013 176.391 176.117 0.478 0.000 1.008 624 I CA -0.701 60.740 61.300 0.235 0.000 1.104 624 I CB 1.905 39.870 38.000 -0.057 0.000 1.264 624 I HN 0.339 nan 8.210 nan 0.000 0.438 625 A N 7.132 130.342 122.820 0.650 0.000 2.344 625 A HA 0.938 5.247 4.320 -0.017 0.000 0.307 625 A C -1.009 176.951 177.584 0.626 0.000 1.151 625 A CA -0.674 51.718 52.037 0.593 0.000 0.842 625 A CB 2.021 21.229 19.000 0.346 0.000 1.350 625 A HN 0.726 nan 8.150 nan 0.000 0.459 626 I N 0.187 121.023 120.570 0.443 0.000 2.722 626 I HA 0.631 4.791 4.170 -0.017 0.000 0.292 626 I C -1.978 174.382 176.117 0.405 0.000 1.267 626 I CA -0.532 60.954 61.300 0.310 0.000 1.036 626 I CB 1.558 39.441 38.000 -0.196 0.000 1.281 626 I HN 0.950 nan 8.210 nan 0.000 0.423 627 W N 7.067 128.496 121.300 0.216 0.000 3.075 627 W HA 0.874 5.523 4.660 -0.018 0.000 0.334 627 W C -1.302 175.370 176.519 0.255 0.000 1.243 627 W CA -0.856 56.628 57.345 0.232 0.000 1.170 627 W CB 1.080 30.728 29.460 0.314 0.000 1.452 627 W HN 0.839 nan 8.180 nan 0.000 0.572 628 G N 0.293 109.040 108.800 -0.089 0.000 2.506 628 G HA2 0.471 4.421 3.960 -0.017 0.000 0.292 628 G HA3 0.471 4.421 3.960 -0.017 0.000 0.292 628 G C -2.837 172.059 174.900 -0.005 0.000 1.425 628 G CA -0.762 44.136 45.100 -0.337 0.000 0.788 628 G HN 0.615 nan 8.290 nan 0.000 0.490 629 W N 0.578 121.823 121.300 -0.092 0.000 2.819 629 W HA 0.585 5.236 4.660 -0.016 0.000 0.337 629 W C 0.860 177.472 176.519 0.155 0.000 1.077 629 W CA 0.388 57.762 57.345 0.047 0.000 1.226 629 W CB 1.914 31.402 29.460 0.047 0.000 1.419 629 W HN 1.235 nan 8.180 nan 0.000 0.502 630 S N 2.651 118.639 115.700 0.480 0.000 4.150 630 S HA -0.435 4.025 4.470 -0.017 0.000 0.575 630 S C 1.169 175.889 174.600 0.199 0.000 1.878 630 S CA 2.073 60.533 58.200 0.434 0.000 4.245 630 S CB -1.833 61.778 63.200 0.684 0.000 0.231 630 S HN 0.721 nan 8.310 nan 0.000 0.469 631 Y N 2.558 122.893 120.300 0.058 0.000 2.274 631 Y HA 0.114 4.654 4.550 -0.016 0.000 0.290 631 Y C 2.363 178.213 175.900 -0.082 0.000 1.145 631 Y CA 2.302 60.328 58.100 -0.125 0.000 1.203 631 Y CB -0.966 37.185 38.460 -0.514 0.000 0.984 631 Y HN 0.488 nan 8.280 nan 0.000 0.533 632 G N -1.164 107.725 108.800 0.148 0.000 2.448 632 G HA2 -0.163 3.787 3.960 -0.017 0.000 0.218 632 G HA3 -0.163 3.787 3.960 -0.017 0.000 0.218 632 G C 1.880 176.839 174.900 0.099 0.000 1.135 632 G CA 0.651 45.837 45.100 0.144 0.000 0.784 632 G HN 0.551 nan 8.290 nan 0.000 0.543 633 G N -0.245 108.622 108.800 0.113 0.000 2.421 633 G HA2 -0.165 3.785 3.960 -0.017 0.000 0.217 633 G HA3 -0.165 3.785 3.960 -0.017 0.000 0.217 633 G C 1.551 176.491 174.900 0.067 0.000 1.143 633 G CA 0.959 46.104 45.100 0.075 0.000 0.784 633 G HN 0.390 nan 8.290 nan 0.000 0.541 634 Y N 1.476 121.695 120.300 -0.134 0.000 2.133 634 Y HA -0.105 4.435 4.550 -0.018 0.000 0.287 634 Y C 2.744 178.563 175.900 -0.135 0.000 1.134 634 Y CA 1.519 59.482 58.100 -0.228 0.000 1.133 634 Y CB -0.531 37.635 38.460 -0.490 0.000 0.987 634 Y HN 0.017 nan 8.280 nan 0.000 0.502 635 V N -0.185 119.618 119.914 -0.186 0.000 2.332 635 V HA -0.336 3.773 4.120 -0.017 0.000 0.248 635 V C 2.326 178.320 176.094 -0.167 0.000 1.055 635 V CA 2.468 64.648 62.300 -0.200 0.000 1.038 635 V CB -1.208 30.640 31.823 0.042 0.000 0.651 635 V HN 0.499 nan 8.190 nan 0.000 0.450 636 T N -0.253 114.259 114.554 -0.071 0.000 2.720 636 T HA -0.183 4.157 4.350 -0.017 0.000 0.268 636 T C 2.132 176.801 174.700 -0.052 0.000 1.037 636 T CA 1.940 64.012 62.100 -0.046 0.000 1.144 636 T CB -0.221 68.696 68.868 0.081 0.000 0.864 636 T HN 0.531 nan 8.240 nan 0.000 0.444 637 S N 1.056 116.752 115.700 -0.007 0.000 2.357 637 S HA 0.015 4.475 4.470 -0.017 0.000 0.221 637 S C 2.142 176.681 174.600 -0.100 0.000 1.031 637 S CA 0.849 59.076 58.200 0.045 0.000 0.982 637 S CB -0.261 62.997 63.200 0.096 0.000 0.853 637 S HN 0.303 nan 8.310 nan 0.000 0.458 638 M N 1.120 120.565 119.600 -0.258 0.000 2.149 638 M HA -0.047 4.423 4.480 -0.017 0.000 0.261 638 M C 2.176 178.326 176.300 -0.250 0.000 1.064 638 M CA 1.063 56.184 55.300 -0.298 0.000 1.102 638 M CB -1.444 30.863 32.600 -0.488 0.000 1.369 638 M HN 0.170 nan 8.290 nan 0.000 0.408 639 V N 0.500 120.261 119.914 -0.256 0.000 2.270 639 V HA -0.235 3.875 4.120 -0.017 0.000 0.245 639 V C 2.512 178.424 176.094 -0.303 0.000 1.043 639 V CA 1.379 63.527 62.300 -0.254 0.000 1.014 639 V CB -0.609 31.004 31.823 -0.351 0.000 0.645 639 V HN 0.395 nan 8.190 nan 0.000 0.447 640 L N 0.442 121.426 121.223 -0.398 0.000 2.187 640 L HA -0.101 4.229 4.340 -0.017 0.000 0.213 640 L C 2.087 178.418 176.870 -0.898 0.000 1.100 640 L CA 1.507 56.014 54.840 -0.556 0.000 0.765 640 L CB -0.695 41.013 42.059 -0.586 0.000 0.904 640 L HN 0.505 nan 8.230 nan 0.000 0.437 641 G N -1.583 106.715 108.800 -0.837 0.000 3.434 641 G HA2 0.013 3.963 3.960 -0.017 0.000 0.258 641 G HA3 0.013 3.963 3.960 -0.017 0.000 0.258 641 G C 1.398 176.131 174.900 -0.278 0.000 1.128 641 G CA 0.527 45.228 45.100 -0.666 0.000 0.792 641 G HN 0.411 nan 8.290 nan 0.000 0.539 642 S N -0.798 114.763 115.700 -0.231 0.000 2.446 642 S HA 0.306 4.766 4.470 -0.017 0.000 0.225 642 S C 1.958 176.507 174.600 -0.085 0.000 1.016 642 S CA 1.123 59.252 58.200 -0.119 0.000 0.943 642 S CB -0.060 63.092 63.200 -0.080 0.000 0.786 642 S HN 1.366 nan 8.310 nan 0.000 0.508 643 G N 1.214 109.951 108.800 -0.105 0.000 2.141 643 G HA2 -0.326 3.624 3.960 -0.017 0.000 0.242 643 G HA3 -0.326 3.624 3.960 -0.017 0.000 0.242 643 G C 0.981 175.863 174.900 -0.029 0.000 0.982 643 G CA 0.922 45.983 45.100 -0.065 0.000 0.662 643 G HN 1.300 nan 8.290 nan 0.000 0.527 644 S N -0.232 115.463 115.700 -0.009 0.000 2.447 644 S HA 0.297 4.757 4.470 -0.017 0.000 0.233 644 S C 2.570 177.176 174.600 0.010 0.000 1.006 644 S CA 1.683 59.892 58.200 0.014 0.000 0.957 644 S CB -0.328 62.905 63.200 0.055 0.000 0.773 644 S HN 2.400 nan 8.310 nan 0.000 0.507 645 G N 0.205 109.018 108.800 0.022 0.000 2.196 645 G HA2 -0.304 3.646 3.960 -0.017 0.000 0.268 645 G HA3 -0.304 3.646 3.960 -0.017 0.000 0.268 645 G C 0.784 175.683 174.900 -0.002 0.000 0.975 645 G CA 0.516 45.625 45.100 0.015 0.000 0.648 645 G HN 0.714 nan 8.290 nan 0.000 0.538 646 V N -0.724 119.180 119.914 -0.017 0.000 2.548 646 V HA 0.187 4.297 4.120 -0.017 0.000 0.249 646 V C 1.224 177.102 176.094 -0.360 0.000 1.055 646 V CA 1.549 63.715 62.300 -0.222 0.000 1.065 646 V CB -0.395 31.211 31.823 -0.361 0.000 0.681 646 V HN 0.327 nan 8.190 nan 0.000 0.462 647 F N -0.327 119.640 119.950 0.028 0.000 2.443 647 F HA 0.412 4.929 4.527 -0.017 0.000 0.335 647 F C 1.049 176.892 175.800 0.071 0.000 1.104 647 F CA -0.697 57.345 58.000 0.071 0.000 1.013 647 F CB 1.449 40.497 39.000 0.081 0.000 1.136 647 F HN -0.277 nan 8.300 nan 0.000 0.470 648 K N 1.463 122.020 120.400 0.262 0.000 2.098 648 K HA 0.094 4.404 4.320 -0.017 0.000 0.203 648 K C -0.095 176.622 176.600 0.194 0.000 1.051 648 K CA 0.954 57.353 56.287 0.186 0.000 0.957 648 K CB 0.242 32.845 32.500 0.172 0.000 0.738 648 K HN 0.795 nan 8.250 nan 0.000 0.447 649 c N -2.305 116.441 118.600 0.244 0.000 3.241 649 c HA 0.909 5.468 4.570 -0.017 0.000 0.312 649 c C -0.171 174.137 174.090 0.364 0.000 1.350 649 c CA -0.708 55.786 56.329 0.275 0.000 1.415 649 c CB 1.123 43.689 42.510 0.093 0.000 1.770 649 c HN 0.358 nan 8.230 nan 0.000 0.466 650 G N 0.172 109.261 108.800 0.481 0.000 2.698 650 G HA2 0.742 4.691 3.960 -0.017 0.000 0.293 650 G HA3 0.742 4.691 3.960 -0.017 0.000 0.293 650 G C -1.924 173.224 174.900 0.413 0.000 1.437 650 G CA -0.705 44.654 45.100 0.432 0.000 0.852 650 G HN 0.974 nan 8.290 nan 0.000 0.499 651 I N 0.689 121.462 120.570 0.339 0.000 2.466 651 I HA 0.621 4.781 4.170 -0.017 0.000 0.289 651 I C 0.075 176.310 176.117 0.196 0.000 1.026 651 I CA -0.973 60.406 61.300 0.130 0.000 1.078 651 I CB 2.317 40.383 38.000 0.110 0.000 1.249 651 I HN 0.647 nan 8.210 nan 0.000 0.429 652 A N 6.380 129.202 122.820 0.003 0.000 2.304 652 A HA 0.790 5.100 4.320 -0.017 0.000 0.314 652 A C -0.830 176.665 177.584 -0.149 0.000 1.187 652 A CA -0.520 51.532 52.037 0.024 0.000 0.810 652 A CB 1.210 20.282 19.000 0.119 0.000 1.183 652 A HN 0.433 nan 8.150 nan 0.000 0.487 653 V N 2.084 121.862 119.914 -0.228 0.000 2.384 653 V HA 0.579 4.689 4.120 -0.017 0.000 0.287 653 V C 0.901 176.602 176.094 -0.655 0.000 1.020 653 V CA 0.292 62.225 62.300 -0.612 0.000 0.850 653 V CB 0.761 31.876 31.823 -1.180 0.000 0.987 653 V HN 2.127 nan 8.190 nan 0.000 0.436 654 A N 5.729 128.144 122.820 -0.675 0.000 2.312 654 A HA -0.101 4.209 4.320 -0.017 0.000 0.286 654 A C -1.898 175.564 177.584 -0.203 0.000 1.425 654 A CA 0.424 51.984 52.037 -0.795 0.000 0.748 654 A CB -1.471 17.243 19.000 -0.476 0.000 1.126 654 A HN 0.608 nan 8.150 nan 0.000 0.368 655 P HA 0.490 nan 4.420 nan 0.000 0.282 655 P C 0.079 177.357 177.300 -0.036 0.000 1.259 655 P CA -0.375 62.717 63.100 -0.012 0.000 0.826 655 P CB 1.530 33.243 31.700 0.022 0.000 1.064 656 V N 2.002 121.799 119.914 -0.194 0.000 2.649 656 V HA 0.107 4.217 4.120 -0.017 0.000 0.292 656 V C 1.714 177.620 176.094 -0.313 0.000 1.055 656 V CA 0.846 62.882 62.300 -0.440 0.000 1.023 656 V CB 0.902 32.062 31.823 -1.105 0.000 0.992 656 V HN 0.843 nan 8.190 nan 0.000 0.480 657 S N 3.654 119.197 115.700 -0.261 0.000 2.575 657 S HA 0.245 4.705 4.470 -0.017 0.000 0.230 657 S C 0.454 174.890 174.600 -0.274 0.000 1.062 657 S CA -0.307 57.813 58.200 -0.134 0.000 0.913 657 S CB 0.318 63.509 63.200 -0.016 0.000 0.837 657 S HN 0.847 nan 8.310 nan 0.000 0.487 658 R N -1.132 119.078 120.500 -0.483 0.000 2.522 658 R HA 0.431 4.761 4.340 -0.017 0.000 0.273 658 R C -0.961 174.992 176.300 -0.578 0.000 1.133 658 R CA -0.834 54.919 56.100 -0.579 0.000 0.969 658 R CB -0.316 29.611 30.300 -0.623 0.000 1.235 658 R HN 0.133 nan 8.270 nan 0.000 0.433 659 W N 1.647 122.857 121.300 -0.150 0.000 2.387 659 W HA -0.075 4.576 4.660 -0.015 0.000 0.272 659 W C 1.046 177.698 176.519 0.220 0.000 1.224 659 W CA 0.931 58.290 57.345 0.024 0.000 1.210 659 W CB 0.192 29.611 29.460 -0.068 0.000 1.125 659 W HN 0.715 nan 8.180 nan 0.000 0.572 660 E N -1.105 119.236 120.200 0.236 0.000 2.418 660 E HA -0.170 4.170 4.350 -0.017 0.000 0.197 660 E C 1.125 177.855 176.600 0.216 0.000 1.026 660 E CA 0.684 57.170 56.400 0.142 0.000 0.862 660 E CB -0.189 29.482 29.700 -0.048 0.000 0.799 660 E HN 0.388 nan 8.360 nan 0.000 0.518 661 Y N -1.527 118.860 120.300 0.145 0.000 2.500 661 Y HA 0.088 4.628 4.550 -0.015 0.000 0.270 661 Y C 0.572 176.569 175.900 0.161 0.000 1.134 661 Y CA -0.365 57.792 58.100 0.096 0.000 1.293 661 Y CB -0.342 38.118 38.460 0.001 0.000 1.063 661 Y HN 0.003 nan 8.280 nan 0.000 0.534 662 Y N 1.913 122.374 120.300 0.268 0.000 2.458 662 Y HA 0.301 4.840 4.550 -0.018 0.000 0.322 662 Y C 0.268 176.394 175.900 0.377 0.000 1.259 662 Y CA -2.202 56.070 58.100 0.287 0.000 1.302 662 Y CB 0.439 39.100 38.460 0.336 0.000 1.314 662 Y HN 0.185 nan 8.280 nan 0.000 0.509 663 D N -0.322 119.826 120.400 -0.420 0.000 2.400 663 D HA 0.047 4.676 4.640 -0.017 0.000 0.238 663 D C 0.994 177.302 176.300 0.013 0.000 1.157 663 D CA 0.504 54.317 54.000 -0.313 0.000 0.889 663 D CB 0.824 41.215 40.800 -0.681 0.000 1.199 663 D HN 0.491 nan 8.370 nan 0.000 0.436 664 S N 1.309 117.022 115.700 0.022 0.000 2.356 664 S HA -0.224 4.236 4.470 -0.017 0.000 0.223 664 S C 1.929 176.573 174.600 0.073 0.000 1.032 664 S CA 1.132 59.392 58.200 0.100 0.000 1.005 664 S CB -0.998 62.265 63.200 0.104 0.000 0.867 664 S HN 0.432 nan 8.310 nan 0.000 0.449 665 V N 0.708 120.602 119.914 -0.033 0.000 2.380 665 V HA -0.182 3.928 4.120 -0.017 0.000 0.251 665 V C 2.266 178.286 176.094 -0.124 0.000 1.063 665 V CA 2.286 64.471 62.300 -0.193 0.000 1.055 665 V CB -1.056 30.489 31.823 -0.462 0.000 0.657 665 V HN 0.636 nan 8.190 nan 0.000 0.455 666 Y N 1.114 121.378 120.300 -0.061 0.000 2.163 666 Y HA -0.162 4.378 4.550 -0.017 0.000 0.288 666 Y C 2.754 178.672 175.900 0.029 0.000 1.112 666 Y CA 2.142 60.279 58.100 0.063 0.000 1.104 666 Y CB -0.629 38.067 38.460 0.393 0.000 1.016 666 Y HN 0.190 nan 8.280 nan 0.000 0.497 667 T N 0.612 115.422 114.554 0.426 0.000 2.597 667 T HA -0.274 4.066 4.350 -0.017 0.000 0.267 667 T C 1.590 176.261 174.700 -0.050 0.000 1.053 667 T CA 2.164 64.410 62.100 0.243 0.000 1.165 667 T CB -0.490 68.675 68.868 0.494 0.000 0.863 667 T HN 0.430 nan 8.240 nan 0.000 0.427 668 E N 0.335 120.549 120.200 0.023 0.000 2.209 668 E HA -0.150 4.190 4.350 -0.017 0.000 0.196 668 E C 2.364 178.834 176.600 -0.217 0.000 0.993 668 E CA 0.663 57.057 56.400 -0.009 0.000 0.819 668 E CB -0.152 29.590 29.700 0.070 0.000 0.745 668 E HN 0.339 nan 8.360 nan 0.000 0.477 669 R N -0.189 120.013 120.500 -0.496 0.000 2.127 669 R HA -0.178 4.152 4.340 -0.017 0.000 0.238 669 R C 1.126 176.833 176.300 -0.989 0.000 1.134 669 R CA 1.498 57.104 56.100 -0.824 0.000 0.975 669 R CB 0.062 29.566 30.300 -1.327 0.000 0.865 669 R HN 0.252 nan 8.270 nan 0.000 0.447 670 Y N -2.609 117.372 120.300 -0.532 0.000 2.498 670 Y HA 0.241 4.780 4.550 -0.017 0.000 0.259 670 Y C 1.607 177.314 175.900 -0.322 0.000 1.086 670 Y CA -0.119 57.678 58.100 -0.505 0.000 1.287 670 Y CB 0.456 38.484 38.460 -0.721 0.000 1.146 670 Y HN -0.060 nan 8.280 nan 0.000 0.523 671 M N -0.228 119.243 119.600 -0.216 0.000 2.337 671 M HA 0.376 4.846 4.480 -0.017 0.000 0.256 671 M C 1.054 177.353 176.300 -0.003 0.000 1.075 671 M CA 0.778 55.940 55.300 -0.229 0.000 1.024 671 M CB -0.307 31.923 32.600 -0.617 0.000 1.429 671 M HN 0.350 nan 8.290 nan 0.000 0.497 672 G N 1.819 110.644 108.800 0.041 0.000 2.645 672 G HA2 -0.222 3.728 3.960 -0.017 0.000 0.239 672 G HA3 -0.222 3.728 3.960 -0.017 0.000 0.239 672 G C -0.784 174.263 174.900 0.244 0.000 1.331 672 G CA -0.808 44.361 45.100 0.116 0.000 0.890 672 G HN 0.263 nan 8.290 nan 0.000 0.572 673 L N 2.449 123.779 121.223 0.178 0.000 2.312 673 L HA 0.476 4.805 4.340 -0.017 0.000 0.281 673 L C -1.093 175.806 176.870 0.048 0.000 1.070 673 L CA -1.451 53.453 54.840 0.107 0.000 0.805 673 L CB 1.335 43.418 42.059 0.040 0.000 1.174 673 L HN 0.442 nan 8.230 nan 0.000 0.434 674 P HA 0.049 nan 4.420 nan 0.000 0.237 674 P C -0.514 176.653 177.300 -0.222 0.000 1.723 674 P CA -0.152 62.571 63.100 -0.627 0.000 0.882 674 P CB -0.515 30.487 31.700 -1.162 0.000 1.810 675 T N -3.821 110.689 114.554 -0.073 0.000 2.918 675 T HA 0.444 4.784 4.350 -0.017 0.000 0.286 675 T C -2.153 172.552 174.700 0.008 0.000 1.026 675 T CA -2.482 59.600 62.100 -0.031 0.000 1.031 675 T CB 1.831 70.689 68.868 -0.016 0.000 1.046 675 T HN -0.293 nan 8.240 nan 0.000 0.479 676 P HA -0.102 nan 4.420 nan 0.000 0.216 676 P C 0.946 178.263 177.300 0.029 0.000 1.150 676 P CA 1.105 64.218 63.100 0.023 0.000 0.843 676 P CB 0.023 31.732 31.700 0.014 0.000 0.787 677 E N -1.351 118.862 120.200 0.022 0.000 2.409 677 E HA -0.100 4.240 4.350 -0.017 0.000 0.198 677 E C 1.332 177.951 176.600 0.031 0.000 1.024 677 E CA 0.843 57.256 56.400 0.022 0.000 0.861 677 E CB -0.463 29.245 29.700 0.013 0.000 0.788 677 E HN 0.345 nan 8.360 nan 0.000 0.521 678 D N -0.575 119.851 120.400 0.044 0.000 3.066 678 D HA 0.120 4.749 4.640 -0.017 0.000 0.225 678 D C 0.263 176.622 176.300 0.098 0.000 1.397 678 D CA -0.025 54.013 54.000 0.063 0.000 1.344 678 D CB -0.052 40.788 40.800 0.067 0.000 0.934 678 D HN 0.005 nan 8.370 nan 0.000 0.202 679 N N 0.121 118.916 118.700 0.159 0.000 2.238 679 N HA 0.044 4.774 4.740 -0.017 0.000 0.235 679 N C 1.356 177.073 175.510 0.346 0.000 1.209 679 N CA -0.126 53.066 53.050 0.237 0.000 0.879 679 N CB 0.877 39.521 38.487 0.262 0.000 1.136 679 N HN -0.003 nan 8.380 nan 0.000 0.517 680 L N 1.316 122.665 121.223 0.211 0.000 2.043 680 L HA -0.203 4.127 4.340 -0.017 0.000 0.212 680 L C 1.473 178.456 176.870 0.188 0.000 1.075 680 L CA 1.984 56.918 54.840 0.157 0.000 0.752 680 L CB -0.484 41.599 42.059 0.040 0.000 0.891 680 L HN 0.167 nan 8.230 nan 0.000 0.432 681 D N -1.486 119.005 120.400 0.151 0.000 2.123 681 D HA -0.259 4.371 4.640 -0.017 0.000 0.196 681 D C 2.075 178.467 176.300 0.153 0.000 0.992 681 D CA 1.779 55.855 54.000 0.127 0.000 0.833 681 D CB -0.155 40.707 40.800 0.104 0.000 0.954 681 D HN 0.604 nan 8.370 nan 0.000 0.455 682 H N -0.972 118.161 119.070 0.106 0.000 2.470 682 H HA -0.047 4.499 4.556 -0.016 0.000 0.289 682 H C 1.686 177.075 175.328 0.102 0.000 1.033 682 H CA 1.076 57.163 56.048 0.066 0.000 1.331 682 H CB -0.256 29.508 29.762 0.003 0.000 1.414 682 H HN 0.130 nan 8.280 nan 0.000 0.545 683 Y N 0.336 120.619 120.300 -0.030 0.000 2.181 683 Y HA -0.157 4.383 4.550 -0.017 0.000 0.288 683 Y C 2.222 178.080 175.900 -0.071 0.000 1.146 683 Y CA 1.474 59.562 58.100 -0.020 0.000 1.164 683 Y CB 0.175 38.659 38.460 0.040 0.000 0.982 683 Y HN 0.136 nan 8.280 nan 0.000 0.515 684 R N -0.453 120.112 120.500 0.108 0.000 2.200 684 R HA -0.016 4.314 4.340 -0.017 0.000 0.208 684 R C 1.234 177.524 176.300 -0.016 0.000 1.033 684 R CA 0.715 56.833 56.100 0.031 0.000 1.000 684 R CB -0.635 29.687 30.300 0.036 0.000 0.906 684 R HN 0.353 nan 8.270 nan 0.000 0.462 685 N N 0.170 118.840 118.700 -0.051 0.000 2.424 685 N HA -0.060 4.670 4.740 -0.017 0.000 0.178 685 N C 0.508 175.962 175.510 -0.094 0.000 1.060 685 N CA 0.659 53.678 53.050 -0.051 0.000 0.901 685 N CB 0.304 38.795 38.487 0.006 0.000 0.979 685 N HN 0.101 nan 8.380 nan 0.000 0.451 686 S N -0.998 114.595 115.700 -0.180 0.000 2.573 686 S HA 0.133 4.593 4.470 -0.017 0.000 0.244 686 S C 0.475 175.103 174.600 0.046 0.000 0.984 686 S CA -0.730 57.426 58.200 -0.073 0.000 1.001 686 S CB -0.715 62.395 63.200 -0.150 0.000 0.788 686 S HN 0.195 nan 8.310 nan 0.000 0.456 687 T N -1.873 112.671 114.554 -0.017 0.000 2.918 687 T HA 0.518 4.858 4.350 -0.017 0.000 0.283 687 T C 1.246 175.936 174.700 -0.017 0.000 1.001 687 T CA -0.657 61.421 62.100 -0.036 0.000 1.041 687 T CB 1.325 70.144 68.868 -0.083 0.000 1.028 687 T HN -0.038 nan 8.240 nan 0.000 0.511 688 V N 2.074 121.974 119.914 -0.023 0.000 2.488 688 V HA -0.112 3.998 4.120 -0.017 0.000 0.246 688 V C 2.727 178.791 176.094 -0.050 0.000 1.046 688 V CA 1.457 63.737 62.300 -0.034 0.000 1.053 688 V CB -0.789 31.009 31.823 -0.041 0.000 0.679 688 V HN 0.878 nan 8.190 nan 0.000 0.458 689 M N 1.236 120.792 119.600 -0.075 0.000 2.267 689 M HA -0.117 4.353 4.480 -0.017 0.000 0.263 689 M C 2.325 178.596 176.300 -0.048 0.000 1.063 689 M CA 2.219 57.468 55.300 -0.086 0.000 1.090 689 M CB -2.014 30.544 32.600 -0.070 0.000 1.392 689 M HN 0.557 nan 8.290 nan 0.000 0.422 690 S N 0.703 116.386 115.700 -0.028 0.000 2.474 690 S HA -0.053 4.407 4.470 -0.017 0.000 0.235 690 S C 1.866 176.470 174.600 0.005 0.000 0.997 690 S CA 0.560 58.752 58.200 -0.013 0.000 0.949 690 S CB -0.418 62.774 63.200 -0.013 0.000 0.766 690 S HN 0.617 nan 8.310 nan 0.000 0.517 691 R N 0.508 121.023 120.500 0.025 0.000 2.334 691 R HA 0.448 4.778 4.340 -0.017 0.000 0.216 691 R C 2.314 178.713 176.300 0.165 0.000 0.905 691 R CA 0.443 56.584 56.100 0.067 0.000 1.064 691 R CB -0.341 29.997 30.300 0.063 0.000 1.046 691 R HN 0.488 nan 8.270 nan 0.000 0.508 692 A N 1.666 124.537 122.820 0.086 0.000 1.915 692 A HA -0.338 3.972 4.320 -0.017 0.000 0.220 692 A C 2.030 179.700 177.584 0.144 0.000 1.198 692 A CA 2.167 54.227 52.037 0.038 0.000 0.647 692 A CB -0.408 18.546 19.000 -0.077 0.000 0.825 692 A HN 0.315 nan 8.150 nan 0.000 0.456 693 E N 0.427 120.680 120.200 0.088 0.000 2.130 693 E HA -0.192 4.147 4.350 -0.017 0.000 0.196 693 E C 1.601 178.256 176.600 0.091 0.000 0.998 693 E CA 1.885 58.331 56.400 0.076 0.000 0.806 693 E CB -0.555 29.171 29.700 0.043 0.000 0.738 693 E HN 0.805 nan 8.360 nan 0.000 0.459 694 N N -1.085 117.662 118.700 0.077 0.000 2.550 694 N HA -0.081 4.649 4.740 -0.017 0.000 0.186 694 N C 0.486 175.955 175.510 -0.067 0.000 1.110 694 N CA 0.042 53.085 53.050 -0.013 0.000 0.912 694 N CB -0.095 38.336 38.487 -0.093 0.000 0.968 694 N HN 0.154 nan 8.380 nan 0.000 0.448 695 F N 1.435 121.337 119.950 -0.080 0.000 2.802 695 F HA 0.083 4.601 4.527 -0.015 0.000 0.300 695 F C 1.897 177.695 175.800 -0.004 0.000 1.168 695 F CA 0.474 58.422 58.000 -0.087 0.000 1.433 695 F CB 0.079 38.973 39.000 -0.177 0.000 1.115 695 F HN -0.088 nan 8.300 nan 0.000 0.582 696 K N -0.235 120.251 120.400 0.144 0.000 2.147 696 K HA -0.165 4.145 4.320 -0.017 0.000 0.205 696 K C 1.677 178.332 176.600 0.091 0.000 1.049 696 K CA 0.921 57.278 56.287 0.118 0.000 0.936 696 K CB -0.118 32.432 32.500 0.083 0.000 0.722 696 K HN 0.244 nan 8.250 nan 0.000 0.446 697 Q N 0.320 120.151 119.800 0.051 0.000 2.444 697 Q HA 0.004 4.334 4.340 -0.017 0.000 0.206 697 Q C 0.827 176.861 176.000 0.057 0.000 0.948 697 Q CA 0.403 56.230 55.803 0.039 0.000 0.946 697 Q CB 0.156 28.899 28.738 0.008 0.000 1.027 697 Q HN 0.229 nan 8.270 nan 0.000 0.513 698 V N -3.180 116.782 119.914 0.080 0.000 3.141 698 V HA 0.534 4.644 4.120 -0.017 0.000 0.312 698 V C -0.787 175.445 176.094 0.230 0.000 1.157 698 V CA -1.248 61.128 62.300 0.127 0.000 1.041 698 V CB 2.419 34.282 31.823 0.066 0.000 1.071 698 V HN -0.068 nan 8.190 nan 0.000 0.441 699 E N 1.296 121.663 120.200 0.279 0.000 2.134 699 E HA 0.464 4.804 4.350 -0.017 0.000 0.278 699 E C -1.931 175.034 176.600 0.607 0.000 0.959 699 E CA -0.385 56.252 56.400 0.395 0.000 0.783 699 E CB 1.913 31.779 29.700 0.276 0.000 1.095 699 E HN 0.696 nan 8.360 nan 0.000 0.399 700 Y N 3.327 123.883 120.300 0.426 0.000 2.409 700 Y HA 0.418 4.957 4.550 -0.017 0.000 0.343 700 Y C -1.528 174.441 175.900 0.116 0.000 0.973 700 Y CA -1.111 57.180 58.100 0.318 0.000 1.064 700 Y CB 1.027 39.699 38.460 0.354 0.000 1.207 700 Y HN 0.435 nan 8.280 nan 0.000 0.452 701 L N 8.041 128.967 121.223 -0.495 0.000 2.319 701 L HA 0.489 4.819 4.340 -0.017 0.000 0.281 701 L C -1.625 174.793 176.870 -0.753 0.000 1.005 701 L CA -0.739 53.664 54.840 -0.728 0.000 0.828 701 L CB 1.070 42.385 42.059 -1.240 0.000 1.227 701 L HN 0.672 nan 8.230 nan 0.000 0.415 702 L N 6.260 127.137 121.223 -0.576 0.000 2.307 702 L HA 0.613 4.943 4.340 -0.017 0.000 0.284 702 L C -0.936 175.812 176.870 -0.204 0.000 1.023 702 L CA -0.511 54.044 54.840 -0.475 0.000 0.810 702 L CB 1.675 43.529 42.059 -0.340 0.000 1.231 702 L HN 0.607 nan 8.230 nan 0.000 0.423 703 I N 3.831 124.296 120.570 -0.174 0.000 2.686 703 I HA 0.487 4.647 4.170 -0.017 0.000 0.295 703 I C -1.088 175.025 176.117 -0.007 0.000 1.114 703 I CA -0.747 60.511 61.300 -0.070 0.000 1.038 703 I CB 2.213 40.134 38.000 -0.130 0.000 1.238 703 I HN 0.538 nan 8.210 nan 0.000 0.420 704 H N 2.439 121.569 119.070 0.100 0.000 3.112 704 H HA 0.402 4.948 4.556 -0.016 0.000 0.347 704 H C -0.894 174.680 175.328 0.410 0.000 1.188 704 H CA -0.570 55.588 56.048 0.184 0.000 1.240 704 H CB 2.499 32.308 29.762 0.078 0.000 1.920 704 H HN 0.765 nan 8.280 nan 0.000 0.535 705 G N 0.831 110.026 108.800 0.658 0.000 2.390 705 G HA2 0.249 4.199 3.960 -0.017 0.000 0.270 705 G HA3 0.249 4.199 3.960 -0.017 0.000 0.270 705 G C 1.112 176.316 174.900 0.507 0.000 1.211 705 G CA 0.210 45.630 45.100 0.533 0.000 0.842 705 G HN 0.640 nan 8.290 nan 0.000 0.519 706 T N -0.667 114.028 114.554 0.235 0.000 3.035 706 T HA 0.091 4.431 4.350 -0.017 0.000 0.268 706 T C 1.688 176.378 174.700 -0.016 0.000 1.109 706 T CA 1.290 63.319 62.100 -0.118 0.000 1.119 706 T CB 0.167 68.885 68.868 -0.251 0.000 0.900 706 T HN 0.668 nan 8.240 nan 0.000 0.503 707 A N 0.859 123.754 122.820 0.126 0.000 2.610 707 A HA 0.307 4.617 4.320 -0.017 0.000 0.286 707 A C 0.431 178.013 177.584 -0.002 0.000 1.306 707 A CA -0.499 51.605 52.037 0.111 0.000 0.942 707 A CB -0.231 19.072 19.000 0.505 0.000 1.112 707 A HN 0.396 nan 8.150 nan 0.000 0.527 708 D N 1.588 122.012 120.400 0.040 0.000 2.363 708 D HA -0.015 4.615 4.640 -0.017 0.000 0.263 708 D C 0.305 176.578 176.300 -0.045 0.000 1.258 708 D CA 0.257 54.368 54.000 0.184 0.000 0.907 708 D CB 0.719 41.791 40.800 0.453 0.000 1.107 708 D HN 0.559 nan 8.370 nan 0.000 0.495 709 D N 2.402 122.829 120.400 0.046 0.000 2.348 709 D HA -0.127 4.503 4.640 -0.017 0.000 0.211 709 D C 0.958 177.222 176.300 -0.060 0.000 0.998 709 D CA -0.085 53.866 54.000 -0.082 0.000 0.873 709 D CB 0.386 41.087 40.800 -0.165 0.000 0.925 709 D HN 0.212 nan 8.370 nan 0.000 0.524 710 N N 0.883 119.671 118.700 0.146 0.000 2.335 710 N HA -0.050 4.680 4.740 -0.017 0.000 0.197 710 N C -0.035 175.466 175.510 -0.014 0.000 1.045 710 N CA 0.584 53.760 53.050 0.211 0.000 0.928 710 N CB 0.300 38.912 38.487 0.207 0.000 1.118 710 N HN -0.108 nan 8.380 nan 0.000 0.471 711 V N 3.037 122.986 119.914 0.058 0.000 2.288 711 V HA 0.207 4.316 4.120 -0.017 0.000 0.266 711 V C -0.518 175.666 176.094 0.150 0.000 1.048 711 V CA -0.456 61.902 62.300 0.097 0.000 0.842 711 V CB -0.486 31.449 31.823 0.188 0.000 1.064 711 V HN 0.303 nan 8.190 nan 0.000 0.472 712 H N 3.332 122.383 119.070 -0.031 0.000 2.972 712 H HA -0.047 4.499 4.556 -0.017 0.000 0.343 712 H C 0.844 176.018 175.328 -0.257 0.000 1.054 712 H CA -0.036 55.900 56.048 -0.186 0.000 1.412 712 H CB 0.697 30.265 29.762 -0.324 0.000 1.385 712 H HN 0.625 nan 8.280 nan 0.000 0.600 713 F N 2.266 121.999 119.950 -0.361 0.000 2.184 713 F HA -0.321 4.195 4.527 -0.017 0.000 0.301 713 F C 2.587 178.117 175.800 -0.450 0.000 1.076 713 F CA 1.860 59.462 58.000 -0.664 0.000 1.295 713 F CB -0.207 38.579 39.000 -0.356 0.000 1.026 713 F HN 0.677 nan 8.300 nan 0.000 0.494 714 Q N 0.172 119.840 119.800 -0.219 0.000 2.156 714 Q HA -0.321 4.009 4.340 -0.017 0.000 0.211 714 Q C 2.066 177.829 176.000 -0.394 0.000 0.995 714 Q CA 2.319 57.940 55.803 -0.304 0.000 0.877 714 Q CB -0.393 28.129 28.738 -0.360 0.000 0.920 714 Q HN 0.592 nan 8.270 nan 0.000 0.416 715 Q N -0.284 119.324 119.800 -0.320 0.000 2.096 715 Q HA -0.128 4.202 4.340 -0.017 0.000 0.204 715 Q C 2.235 178.134 176.000 -0.168 0.000 0.982 715 Q CA 1.767 57.494 55.803 -0.127 0.000 0.850 715 Q CB -0.107 28.635 28.738 0.006 0.000 0.901 715 Q HN 0.340 nan 8.270 nan 0.000 0.422 716 S N 0.447 115.942 115.700 -0.343 0.000 2.436 716 S HA 0.034 4.494 4.470 -0.017 0.000 0.228 716 S C 1.977 176.339 174.600 -0.398 0.000 1.014 716 S CA 0.619 58.621 58.200 -0.330 0.000 0.950 716 S CB -0.002 62.983 63.200 -0.360 0.000 0.784 716 S HN 0.453 nan 8.310 nan 0.000 0.504 717 A N 1.346 123.849 122.820 -0.528 0.000 1.933 717 A HA -0.111 4.199 4.320 -0.017 0.000 0.218 717 A C 2.121 179.607 177.584 -0.163 0.000 1.175 717 A CA 1.072 52.918 52.037 -0.318 0.000 0.628 717 A CB -0.358 18.508 19.000 -0.224 0.000 0.814 717 A HN 0.344 nan 8.150 nan 0.000 0.444 718 Q N -0.420 119.293 119.800 -0.147 0.000 2.172 718 Q HA 0.010 4.340 4.340 -0.017 0.000 0.200 718 Q C 2.113 178.063 176.000 -0.084 0.000 0.964 718 Q CA 0.937 56.704 55.803 -0.060 0.000 0.855 718 Q CB -0.305 28.466 28.738 0.056 0.000 0.918 718 Q HN 0.776 nan 8.270 nan 0.000 0.444 719 I N 1.120 121.614 120.570 -0.127 0.000 2.133 719 I HA -0.283 3.877 4.170 -0.017 0.000 0.238 719 I C 2.541 178.498 176.117 -0.266 0.000 1.074 719 I CA 1.502 62.683 61.300 -0.199 0.000 1.342 719 I CB -0.524 37.360 38.000 -0.193 0.000 1.053 719 I HN 0.187 nan 8.210 nan 0.000 0.404 720 S N 0.906 116.480 115.700 -0.210 0.000 2.383 720 S HA -0.301 4.159 4.470 -0.017 0.000 0.229 720 S C 2.022 176.612 174.600 -0.016 0.000 1.030 720 S CA 1.679 59.808 58.200 -0.119 0.000 1.002 720 S CB -0.482 62.805 63.200 0.145 0.000 0.829 720 S HN 0.393 nan 8.310 nan 0.000 0.467 721 K N 1.512 121.893 120.400 -0.032 0.000 2.097 721 K HA 0.136 4.446 4.320 -0.017 0.000 0.205 721 K C 2.244 178.826 176.600 -0.030 0.000 1.050 721 K CA 0.974 57.257 56.287 -0.007 0.000 0.938 721 K CB -0.582 31.910 32.500 -0.013 0.000 0.718 721 K HN 0.457 nan 8.250 nan 0.000 0.442 722 A N 0.834 123.606 122.820 -0.081 0.000 1.968 722 A HA -0.041 4.269 4.320 -0.017 0.000 0.217 722 A C 1.988 179.506 177.584 -0.110 0.000 1.169 722 A CA 0.931 52.915 52.037 -0.089 0.000 0.638 722 A CB -0.397 18.534 19.000 -0.114 0.000 0.812 722 A HN 0.289 nan 8.150 nan 0.000 0.446 723 L N -0.811 120.303 121.223 -0.183 0.000 2.072 723 L HA -0.107 4.223 4.340 -0.017 0.000 0.205 723 L C 2.485 179.372 176.870 0.029 0.000 1.079 723 L CA 0.794 55.526 54.840 -0.181 0.000 0.752 723 L CB -0.500 41.257 42.059 -0.504 0.000 0.906 723 L HN 0.224 nan 8.230 nan 0.000 0.436 724 V N -0.170 119.801 119.914 0.095 0.000 2.343 724 V HA -0.278 3.831 4.120 -0.017 0.000 0.247 724 V C 1.898 178.030 176.094 0.063 0.000 1.051 724 V CA 1.830 64.204 62.300 0.124 0.000 1.036 724 V CB -0.513 31.380 31.823 0.118 0.000 0.654 724 V HN 0.422 nan 8.190 nan 0.000 0.451 725 D N -0.558 119.861 120.400 0.033 0.000 2.309 725 D HA -0.091 4.539 4.640 -0.017 0.000 0.212 725 D C 1.681 177.994 176.300 0.022 0.000 0.968 725 D CA 0.835 54.848 54.000 0.021 0.000 0.882 725 D CB 0.169 40.973 40.800 0.008 0.000 0.918 725 D HN 0.350 nan 8.370 nan 0.000 0.503 726 V N -0.805 119.124 119.914 0.024 0.000 3.578 726 V HA 0.233 4.343 4.120 -0.017 0.000 0.290 726 V C 1.149 177.272 176.094 0.047 0.000 1.376 726 V CA 0.698 63.016 62.300 0.029 0.000 1.083 726 V CB 0.442 32.276 31.823 0.018 0.000 0.911 726 V HN 0.321 nan 8.190 nan 0.000 0.433 727 G N 0.990 109.827 108.800 0.062 0.000 2.212 727 G HA2 -0.184 3.766 3.960 -0.017 0.000 0.255 727 G HA3 -0.184 3.766 3.960 -0.017 0.000 0.255 727 G C -0.088 174.874 174.900 0.102 0.000 1.062 727 G CA 0.294 45.439 45.100 0.076 0.000 0.815 727 G HN 0.431 nan 8.290 nan 0.000 0.497 728 V N 0.445 120.441 119.914 0.137 0.000 2.398 728 V HA 0.508 4.618 4.120 -0.017 0.000 0.286 728 V C 0.285 176.567 176.094 0.313 0.000 1.026 728 V CA -0.562 61.851 62.300 0.187 0.000 0.868 728 V CB 1.810 33.725 31.823 0.153 0.000 0.982 728 V HN 0.449 nan 8.190 nan 0.000 0.443 729 D N 4.047 124.610 120.400 0.272 0.000 2.264 729 D HA 0.632 5.262 4.640 -0.017 0.000 0.249 729 D C -0.651 175.902 176.300 0.422 0.000 1.070 729 D CA 0.146 54.298 54.000 0.253 0.000 0.912 729 D CB 0.892 41.770 40.800 0.129 0.000 1.193 729 D HN 0.342 nan 8.370 nan 0.000 0.427 730 F N -0.334 119.688 119.950 0.120 0.000 2.773 730 F HA 0.454 4.970 4.527 -0.017 0.000 0.314 730 F C -1.514 174.336 175.800 0.084 0.000 1.160 730 F CA -1.176 56.916 58.000 0.153 0.000 0.920 730 F CB 0.620 39.748 39.000 0.213 0.000 1.323 730 F HN 0.065 nan 8.300 nan 0.000 0.457 731 Q N 1.426 121.294 119.800 0.114 0.000 2.222 731 Q HA 0.827 5.156 4.340 -0.017 0.000 0.252 731 Q C -0.683 175.294 176.000 -0.038 0.000 0.926 731 Q CA -0.634 55.143 55.803 -0.042 0.000 0.899 731 Q CB 1.928 30.658 28.738 -0.014 0.000 1.250 731 Q HN 1.056 nan 8.270 nan 0.000 0.441 732 A N 1.668 124.442 122.820 -0.077 0.000 2.527 732 A HA 0.875 5.185 4.320 -0.017 0.000 0.293 732 A C -1.288 176.253 177.584 -0.071 0.000 1.117 732 A CA -0.604 51.425 52.037 -0.014 0.000 0.723 732 A CB 1.953 20.990 19.000 0.061 0.000 1.313 732 A HN 0.622 nan 8.150 nan 0.000 0.411 733 M N 1.168 120.719 119.600 -0.082 0.000 2.296 733 M HA 0.540 5.010 4.480 -0.017 0.000 0.268 733 M C -2.096 174.080 176.300 -0.206 0.000 1.048 733 M CA -0.481 54.627 55.300 -0.319 0.000 0.966 733 M CB 1.007 33.351 32.600 -0.428 0.000 1.912 733 M HN 0.986 nan 8.290 nan 0.000 0.484 734 W N 4.386 125.522 121.300 -0.273 0.000 2.516 734 W HA 0.788 5.440 4.660 -0.013 0.000 0.343 734 W C -2.005 174.248 176.519 -0.443 0.000 1.094 734 W CA -0.814 56.459 57.345 -0.121 0.000 1.250 734 W CB 0.472 29.921 29.460 -0.018 0.000 1.308 734 W HN 0.613 nan 8.180 nan 0.000 0.588 735 Y N 2.631 123.056 120.300 0.209 0.000 2.555 735 Y HA 0.267 4.808 4.550 -0.015 0.000 0.326 735 Y C 0.829 176.831 175.900 0.170 0.000 0.984 735 Y CA -1.137 56.995 58.100 0.054 0.000 1.298 735 Y CB 1.207 39.681 38.460 0.024 0.000 1.094 735 Y HN 0.630 nan 8.280 nan 0.000 0.500 736 T N 1.780 116.500 114.554 0.277 0.000 2.871 736 T HA 0.054 4.394 4.350 -0.017 0.000 0.296 736 T C 0.521 175.300 174.700 0.132 0.000 0.998 736 T CA 0.484 62.694 62.100 0.184 0.000 1.162 736 T CB 0.103 69.004 68.868 0.054 0.000 0.947 736 T HN 0.793 nan 8.240 nan 0.000 0.536 737 D N 1.073 121.540 120.400 0.112 0.000 3.046 737 D HA -0.114 4.516 4.640 -0.017 0.000 0.210 737 D C -0.011 176.434 176.300 0.242 0.000 1.124 737 D CA 1.221 55.244 54.000 0.038 0.000 0.986 737 D CB -0.654 39.977 40.800 -0.282 0.000 1.118 737 D HN 0.705 nan 8.370 nan 0.000 0.416 738 E N 0.919 121.272 120.200 0.256 0.000 2.313 738 E HA 0.348 4.687 4.350 -0.017 0.000 0.272 738 E C 0.708 177.498 176.600 0.317 0.000 1.038 738 E CA -0.277 56.287 56.400 0.274 0.000 0.863 738 E CB 1.197 31.041 29.700 0.241 0.000 1.060 738 E HN 0.348 nan 8.360 nan 0.000 0.402 739 D N -0.511 120.084 120.400 0.326 0.000 2.560 739 D HA -0.001 4.629 4.640 -0.017 0.000 0.277 739 D C 1.117 177.653 176.300 0.392 0.000 1.194 739 D CA -0.236 53.982 54.000 0.363 0.000 1.092 739 D CB -0.192 40.845 40.800 0.396 0.000 1.169 739 D HN 0.422 nan 8.370 nan 0.000 0.607 740 H N -1.374 117.889 119.070 0.322 0.000 2.426 740 H HA -0.004 4.541 4.556 -0.017 0.000 0.298 740 H C 1.918 177.495 175.328 0.417 0.000 1.107 740 H CA 2.416 58.678 56.048 0.357 0.000 1.298 740 H CB -0.461 29.492 29.762 0.318 0.000 1.377 740 H HN 0.499 nan 8.280 nan 0.000 0.519 741 G N -0.307 108.645 108.800 0.254 0.000 2.551 741 G HA2 -0.014 3.935 3.960 -0.017 0.000 0.216 741 G HA3 -0.014 3.935 3.960 -0.017 0.000 0.216 741 G C 0.718 175.764 174.900 0.243 0.000 1.137 741 G CA 0.335 45.500 45.100 0.109 0.000 0.798 741 G HN 0.539 nan 8.290 nan 0.000 0.536 742 I N 0.042 120.785 120.570 0.289 0.000 6.272 742 I HA -0.324 3.836 4.170 -0.017 0.000 0.126 742 I C 1.578 177.807 176.117 0.187 0.000 1.619 742 I CA 0.129 61.553 61.300 0.206 0.000 2.452 742 I CB -1.171 36.940 38.000 0.185 0.000 3.064 742 I HN 0.266 nan 8.210 nan 0.000 0.279 743 A N 0.939 123.849 122.820 0.150 0.000 2.348 743 A HA 0.267 4.577 4.320 -0.017 0.000 0.224 743 A C 1.232 178.863 177.584 0.078 0.000 1.227 743 A CA 0.576 52.671 52.037 0.097 0.000 0.885 743 A CB 0.096 19.121 19.000 0.042 0.000 0.933 743 A HN 0.655 nan 8.150 nan 0.000 0.506 744 S N -0.389 115.370 115.700 0.099 0.000 2.566 744 S HA 0.115 4.575 4.470 -0.017 0.000 0.280 744 S C 1.249 175.901 174.600 0.086 0.000 1.343 744 S CA 0.368 58.620 58.200 0.086 0.000 1.036 744 S CB 0.955 64.211 63.200 0.093 0.000 0.866 744 S HN 0.501 nan 8.310 nan 0.000 0.526 745 S N 1.850 117.588 115.700 0.065 0.000 2.365 745 S HA -0.189 4.271 4.470 -0.017 0.000 0.225 745 S C 2.085 176.742 174.600 0.095 0.000 1.039 745 S CA 2.305 60.545 58.200 0.066 0.000 1.033 745 S CB -1.599 61.624 63.200 0.038 0.000 0.887 745 S HN 1.047 nan 8.310 nan 0.000 0.447 746 T N -0.183 114.417 114.554 0.077 0.000 2.812 746 T HA 0.190 4.529 4.350 -0.017 0.000 0.264 746 T C 2.011 176.764 174.700 0.088 0.000 1.042 746 T CA 1.275 63.422 62.100 0.079 0.000 1.140 746 T CB -0.971 67.936 68.868 0.064 0.000 0.870 746 T HN 0.462 nan 8.240 nan 0.000 0.445 747 A N 1.561 124.413 122.820 0.053 0.000 1.902 747 A HA -0.108 4.202 4.320 -0.017 0.000 0.217 747 A C 2.204 179.740 177.584 -0.080 0.000 1.181 747 A CA 2.086 54.086 52.037 -0.063 0.000 0.623 747 A CB -1.267 17.665 19.000 -0.113 0.000 0.818 747 A HN 0.765 nan 8.150 nan 0.000 0.443 748 H N -0.100 118.951 119.070 -0.031 0.000 2.290 748 H HA -0.154 4.392 4.556 -0.017 0.000 0.298 748 H C 2.089 177.482 175.328 0.108 0.000 1.087 748 H CA 2.404 58.486 56.048 0.056 0.000 1.291 748 H CB -0.256 29.546 29.762 0.065 0.000 1.369 748 H HN 0.576 nan 8.280 nan 0.000 0.492 749 Q N -1.129 118.652 119.800 -0.033 0.000 2.167 749 Q HA -0.169 4.161 4.340 -0.017 0.000 0.202 749 Q C 2.165 178.137 176.000 -0.047 0.000 0.970 749 Q CA 1.203 56.949 55.803 -0.096 0.000 0.855 749 Q CB -0.121 28.607 28.738 -0.018 0.000 0.911 749 Q HN 0.623 nan 8.270 nan 0.000 0.438 750 H N 0.764 119.793 119.070 -0.068 0.000 2.357 750 H HA -0.043 4.504 4.556 -0.016 0.000 0.301 750 H C 1.940 177.254 175.328 -0.023 0.000 1.082 750 H CA 1.158 57.199 56.048 -0.012 0.000 1.342 750 H CB 0.036 29.838 29.762 0.066 0.000 1.389 750 H HN 0.288 nan 8.280 nan 0.000 0.511 751 I N -0.024 120.532 120.570 -0.024 0.000 2.252 751 I HA -0.302 3.858 4.170 -0.017 0.000 0.245 751 I C 1.742 177.629 176.117 -0.384 0.000 1.102 751 I CA 1.104 62.301 61.300 -0.170 0.000 1.385 751 I CB -0.258 37.445 38.000 -0.495 0.000 1.064 751 I HN 0.102 nan 8.210 nan 0.000 0.414 752 Y N 0.944 121.033 120.300 -0.352 0.000 2.293 752 Y HA -0.194 4.346 4.550 -0.016 0.000 0.291 752 Y C 2.721 178.408 175.900 -0.355 0.000 1.137 752 Y CA 1.824 59.597 58.100 -0.544 0.000 1.202 752 Y CB -0.843 37.292 38.460 -0.541 0.000 0.990 752 Y HN 0.142 nan 8.280 nan 0.000 0.537 753 T N -1.647 112.829 114.554 -0.130 0.000 2.737 753 T HA -0.227 4.113 4.350 -0.017 0.000 0.265 753 T C 1.586 176.192 174.700 -0.158 0.000 1.038 753 T CA 1.857 63.853 62.100 -0.173 0.000 1.144 753 T CB -0.442 68.318 68.868 -0.180 0.000 0.866 753 T HN 0.396 nan 8.240 nan 0.000 0.434 754 H N 0.703 119.666 119.070 -0.177 0.000 2.387 754 H HA 0.128 4.674 4.556 -0.016 0.000 0.299 754 H C 2.108 177.429 175.328 -0.012 0.000 1.090 754 H CA 1.492 57.510 56.048 -0.050 0.000 1.332 754 H CB -0.247 29.490 29.762 -0.042 0.000 1.386 754 H HN 0.268 nan 8.280 nan 0.000 0.516 755 M N -1.025 118.498 119.600 -0.128 0.000 2.254 755 M HA -0.123 4.347 4.480 -0.017 0.000 0.265 755 M C 2.320 178.718 176.300 0.164 0.000 1.066 755 M CA 1.250 56.472 55.300 -0.131 0.000 1.123 755 M CB 0.188 32.476 32.600 -0.519 0.000 1.388 755 M HN 0.186 nan 8.290 nan 0.000 0.425 756 S N -0.731 115.082 115.700 0.188 0.000 2.368 756 S HA -0.133 4.327 4.470 -0.017 0.000 0.224 756 S C 1.679 176.371 174.600 0.152 0.000 1.029 756 S CA 0.898 59.300 58.200 0.337 0.000 0.988 756 S CB -0.494 62.879 63.200 0.288 0.000 0.838 756 S HN 0.466 nan 8.310 nan 0.000 0.462 757 H N -0.140 118.992 119.070 0.103 0.000 2.353 757 H HA -0.029 4.517 4.556 -0.017 0.000 0.300 757 H C 1.940 177.281 175.328 0.023 0.000 1.090 757 H CA 1.207 57.278 56.048 0.038 0.000 1.327 757 H CB -0.642 29.103 29.762 -0.028 0.000 1.383 757 H HN 0.436 nan 8.280 nan 0.000 0.508 758 F N 1.061 121.000 119.950 -0.018 0.000 2.146 758 F HA -0.163 4.354 4.527 -0.016 0.000 0.298 758 F C 2.225 177.977 175.800 -0.081 0.000 1.096 758 F CA 0.742 58.696 58.000 -0.077 0.000 1.275 758 F CB -0.208 38.713 39.000 -0.131 0.000 1.008 758 F HN -0.039 nan 8.300 nan 0.000 0.480 759 I N 0.578 121.147 120.570 -0.002 0.000 2.163 759 I HA -0.240 3.920 4.170 -0.017 0.000 0.240 759 I C 2.301 178.248 176.117 -0.283 0.000 1.081 759 I CA 1.281 62.432 61.300 -0.249 0.000 1.353 759 I CB -1.273 36.692 38.000 -0.058 0.000 1.054 759 I HN 0.125 nan 8.210 nan 0.000 0.407 760 K N 0.481 120.857 120.400 -0.040 0.000 2.074 760 K HA -0.245 4.065 4.320 -0.017 0.000 0.209 760 K C 1.974 178.568 176.600 -0.009 0.000 1.048 760 K CA 1.308 57.618 56.287 0.039 0.000 0.926 760 K CB -0.454 32.113 32.500 0.112 0.000 0.713 760 K HN 0.439 nan 8.250 nan 0.000 0.444 761 Q N 1.086 120.839 119.800 -0.078 0.000 2.079 761 Q HA -0.160 4.170 4.340 -0.017 0.000 0.200 761 Q C 2.242 178.141 176.000 -0.169 0.000 0.974 761 Q CA 1.570 57.310 55.803 -0.105 0.000 0.840 761 Q CB -0.457 28.210 28.738 -0.119 0.000 0.898 761 Q HN 0.385 nan 8.270 nan 0.000 0.430 762 c N 0.073 118.458 118.600 -0.358 0.000 2.432 762 c HA -0.022 4.538 4.570 -0.017 0.000 0.282 762 c C 2.150 176.192 174.090 -0.080 0.000 1.388 762 c CA 0.260 56.372 56.329 -0.361 0.000 1.777 762 c CB -1.217 40.892 42.510 -0.669 0.000 1.882 762 c HN 0.527 nan 8.230 nan 0.000 0.520 763 F N 0.883 120.792 119.950 -0.068 0.000 2.622 763 F HA 0.313 4.831 4.527 -0.016 0.000 0.288 763 F C 1.771 177.556 175.800 -0.025 0.000 1.120 763 F CA 0.109 58.090 58.000 -0.031 0.000 1.423 763 F CB -0.893 38.096 39.000 -0.017 0.000 1.127 763 F HN 0.072 nan 8.300 nan 0.000 0.588 764 S N 0.000 115.796 115.700 0.160 0.000 2.498 764 S HA 0.000 4.460 4.470 -0.017 0.000 0.327 764 S CA 0.000 58.252 58.200 0.087 0.000 1.107 764 S CB 0.000 63.243 63.200 0.072 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517