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 2i03_1_D 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 0.000 174.644 174.600 0.074 0.000 1.055 39 S CA 0.000 58.255 58.200 0.092 0.000 1.107 39 S CB 0.000 63.274 63.200 0.123 0.000 0.593 40 R N 2.383 122.927 120.500 0.073 0.000 2.524 40 R HA 0.633 4.973 4.340 -0.000 0.000 0.236 40 R C 0.017 176.363 176.300 0.076 0.000 1.240 40 R CA -0.949 55.193 56.100 0.070 0.000 1.111 40 R CB -0.199 30.144 30.300 0.070 0.000 1.436 40 R HN 0.516 nan 8.270 nan 0.000 0.573 41 K N -0.050 120.402 120.400 0.086 0.000 2.187 41 K HA 0.111 4.431 4.320 -0.000 0.000 0.247 41 K C -0.294 176.372 176.600 0.109 0.000 1.019 41 K CA -0.181 56.164 56.287 0.095 0.000 0.893 41 K CB 0.059 32.621 32.500 0.103 0.000 1.025 41 K HN 0.822 nan 8.250 nan 0.000 0.500 42 T N -2.176 112.449 114.554 0.117 0.000 2.849 42 T HA 0.210 4.560 4.350 -0.000 0.000 0.276 42 T C -0.383 174.449 174.700 0.220 0.000 0.971 42 T CA -0.681 61.503 62.100 0.139 0.000 0.949 42 T CB 0.329 69.266 68.868 0.115 0.000 1.093 42 T HN 0.477 nan 8.240 nan 0.000 0.545 43 Y N 2.326 122.702 120.300 0.126 0.000 2.504 43 Y HA 0.386 4.936 4.550 -0.000 0.000 0.351 43 Y C 0.901 176.964 175.900 0.272 0.000 0.988 43 Y CA -0.533 57.689 58.100 0.203 0.000 1.239 43 Y CB -0.230 38.315 38.460 0.141 0.000 1.128 43 Y HN 1.017 nan 8.280 nan 0.000 0.525 44 T N 2.310 116.855 114.554 -0.015 0.000 2.810 44 T HA 0.117 4.467 4.350 -0.000 0.000 0.277 44 T C 0.982 175.605 174.700 -0.129 0.000 0.973 44 T CA -0.685 61.462 62.100 0.079 0.000 0.949 44 T CB 1.040 69.918 68.868 0.017 0.000 1.075 44 T HN 0.642 nan 8.240 nan 0.000 0.537 45 L N 0.760 121.780 121.223 -0.339 0.000 2.056 45 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 45 L C 2.674 179.410 176.870 -0.223 0.000 1.078 45 L CA 2.124 56.642 54.840 -0.537 0.000 0.749 45 L CB -1.664 39.943 42.059 -0.753 0.000 0.901 45 L HN 0.955 nan 8.230 nan 0.000 0.433 46 T N -0.433 114.006 114.554 -0.192 0.000 2.788 46 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 46 T C 1.500 176.100 174.700 -0.168 0.000 1.044 46 T CA 1.456 63.467 62.100 -0.149 0.000 1.139 46 T CB -0.348 68.453 68.868 -0.113 0.000 0.867 46 T HN 0.406 nan 8.240 nan 0.000 0.454 47 D N 0.066 120.324 120.400 -0.237 0.000 2.117 47 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 47 D C 1.780 177.979 176.300 -0.168 0.000 0.987 47 D CA 1.066 54.882 54.000 -0.306 0.000 0.829 47 D CB -0.319 40.155 40.800 -0.543 0.000 0.961 47 D HN 0.416 nan 8.370 nan 0.000 0.460 48 Y N 1.697 121.825 120.300 -0.287 0.000 2.133 48 Y HA -0.099 4.451 4.550 -0.000 0.000 0.287 48 Y C 2.223 178.132 175.900 0.014 0.000 1.134 48 Y CA 1.195 59.304 58.100 0.015 0.000 1.133 48 Y CB -0.651 37.873 38.460 0.106 0.000 0.987 48 Y HN -0.117 nan 8.280 nan 0.000 0.502 49 L N 0.002 121.047 121.223 -0.296 0.000 2.141 49 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 49 L C 1.768 178.532 176.870 -0.178 0.000 1.094 49 L CA 1.314 55.953 54.840 -0.334 0.000 0.763 49 L CB -0.450 41.473 42.059 -0.228 0.000 0.908 49 L HN 0.072 nan 8.230 nan 0.000 0.437 50 K N -0.026 120.293 120.400 -0.135 0.000 2.372 50 K HA 0.074 4.394 4.320 -0.000 0.000 0.200 50 K C -0.009 176.542 176.600 -0.081 0.000 1.022 50 K CA -0.154 56.075 56.287 -0.096 0.000 1.125 50 K CB -0.373 32.071 32.500 -0.094 0.000 0.855 50 K HN 0.273 nan 8.250 nan 0.000 0.524 51 N N 1.964 120.625 118.700 -0.066 0.000 2.686 51 N HA -0.232 4.508 4.740 -0.000 0.000 0.261 51 N C 0.573 176.070 175.510 -0.020 0.000 1.001 51 N CA 0.435 53.487 53.050 0.003 0.000 0.764 51 N CB -0.206 38.280 38.487 -0.002 0.000 0.898 51 N HN 0.342 nan 8.380 nan 0.000 0.544 52 T N -2.486 112.005 114.554 -0.106 0.000 2.904 52 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 52 T C 0.514 175.047 174.700 -0.279 0.000 1.059 52 T CA 1.004 62.946 62.100 -0.264 0.000 1.137 52 T CB -0.086 68.491 68.868 -0.485 0.000 0.879 52 T HN 0.332 nan 8.240 nan 0.000 0.467 53 Y N 1.994 122.393 120.300 0.166 0.000 2.593 53 Y HA 0.634 5.184 4.550 -0.000 0.000 0.331 53 Y C 0.457 176.466 175.900 0.181 0.000 0.986 53 Y CA -1.828 56.390 58.100 0.196 0.000 1.262 53 Y CB 0.509 39.150 38.460 0.302 0.000 1.098 53 Y HN 0.062 nan 8.280 nan 0.000 0.506 54 R N 2.430 123.076 120.500 0.244 0.000 2.486 54 R HA 0.621 4.961 4.340 -0.000 0.000 0.286 54 R C -1.127 175.278 176.300 0.176 0.000 0.999 54 R CA -0.495 55.713 56.100 0.179 0.000 0.993 54 R CB 0.780 31.144 30.300 0.106 0.000 1.084 54 R HN 0.665 nan 8.270 nan 0.000 0.487 55 L N 3.694 125.017 121.223 0.166 0.000 2.312 55 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 55 L C 0.009 176.948 176.870 0.115 0.000 1.070 55 L CA -0.349 54.587 54.840 0.159 0.000 0.805 55 L CB 1.406 43.580 42.059 0.191 0.000 1.174 55 L HN 0.529 nan 8.230 nan 0.000 0.434 56 K N 3.685 124.146 120.400 0.103 0.000 2.156 56 K HA 0.628 4.948 4.320 -0.000 0.000 0.271 56 K C -0.776 175.834 176.600 0.017 0.000 0.995 56 K CA -0.420 55.901 56.287 0.055 0.000 0.890 56 K CB 1.448 33.980 32.500 0.052 0.000 1.073 56 K HN 0.389 nan 8.250 nan 0.000 0.454 57 L N 1.444 122.611 121.223 -0.094 0.000 2.341 57 L HA 0.533 4.873 4.340 -0.000 0.000 0.267 57 L C -0.878 175.719 176.870 -0.456 0.000 1.022 57 L CA -1.133 53.493 54.840 -0.358 0.000 0.844 57 L CB 0.664 42.642 42.059 -0.134 0.000 1.436 57 L HN 0.542 nan 8.230 nan 0.000 0.483 58 Y N 0.117 119.924 120.300 -0.822 0.000 2.517 58 Y HA 0.293 4.843 4.550 -0.000 0.000 0.328 58 Y C -0.898 174.853 175.900 -0.248 0.000 1.130 58 Y CA -0.627 57.207 58.100 -0.443 0.000 1.280 58 Y CB 1.076 39.139 38.460 -0.663 0.000 1.101 58 Y HN 0.390 nan 8.280 nan 0.000 0.610 59 S N 5.694 121.375 115.700 -0.032 0.000 2.399 59 S HA 0.511 4.981 4.470 -0.000 0.000 0.301 59 S C -0.412 174.173 174.600 -0.025 0.000 1.093 59 S CA -0.553 57.639 58.200 -0.014 0.000 1.077 59 S CB -0.228 62.953 63.200 -0.031 0.000 0.980 59 S HN 0.548 nan 8.310 nan 0.000 0.494 60 L N 1.114 122.276 121.223 -0.102 0.000 2.331 60 L HA 0.807 5.147 4.340 -0.000 0.000 0.268 60 L C -0.007 176.745 176.870 -0.197 0.000 1.015 60 L CA -0.769 53.932 54.840 -0.232 0.000 0.807 60 L CB 0.668 42.208 42.059 -0.866 0.000 1.293 60 L HN 0.303 nan 8.230 nan 0.000 0.451 61 R N 0.677 121.099 120.500 -0.131 0.000 2.539 61 R HA 0.269 4.608 4.340 -0.000 0.000 0.295 61 R C -1.939 174.409 176.300 0.079 0.000 1.138 61 R CA -0.492 55.605 56.100 -0.004 0.000 0.936 61 R CB 0.836 31.171 30.300 0.057 0.000 1.182 61 R HN 0.855 nan 8.270 nan 0.000 0.459 62 W N 5.549 126.959 121.300 0.183 0.000 2.322 62 W HA 0.079 4.739 4.660 -0.000 0.000 0.328 62 W C 1.814 178.431 176.519 0.162 0.000 1.395 62 W CA -0.282 57.194 57.345 0.218 0.000 1.267 62 W CB 0.493 30.071 29.460 0.197 0.000 1.259 62 W HN 0.574 nan 8.180 nan 0.000 0.560 63 I N 0.195 121.002 120.570 0.396 0.000 4.181 63 I HA 0.265 4.435 4.170 -0.000 0.000 0.331 63 I C 0.774 177.034 176.117 0.238 0.000 1.312 63 I CA -0.053 61.386 61.300 0.231 0.000 1.146 63 I CB -0.099 37.971 38.000 0.117 0.000 1.074 63 I HN 0.286 nan 8.210 nan 0.000 0.402 64 S N -0.108 115.790 115.700 0.331 0.000 2.929 64 S HA 0.333 4.803 4.470 -0.000 0.000 0.311 64 S C -0.270 174.487 174.600 0.262 0.000 1.213 64 S CA -0.142 58.230 58.200 0.287 0.000 0.908 64 S CB 1.647 65.043 63.200 0.327 0.000 1.287 64 S HN 0.098 nan 8.310 nan 0.000 0.594 65 D N -1.194 119.306 120.400 0.167 0.000 2.363 65 D HA 0.311 4.951 4.640 -0.000 0.000 0.214 65 D C 0.492 176.617 176.300 -0.291 0.000 1.093 65 D CA 0.338 54.238 54.000 -0.168 0.000 0.837 65 D CB 0.032 40.645 40.800 -0.312 0.000 0.948 65 D HN 0.604 nan 8.370 nan 0.000 0.507 66 H N -1.725 117.527 119.070 0.304 0.000 3.622 66 H HA 0.453 5.008 4.556 -0.000 0.000 0.259 66 H C -0.120 175.436 175.328 0.381 0.000 1.145 66 H CA -0.257 56.030 56.048 0.397 0.000 1.178 66 H CB 0.717 30.635 29.762 0.260 0.000 1.542 66 H HN -0.005 nan 8.280 nan 0.000 0.586 67 E N 0.376 120.901 120.200 0.542 0.000 2.392 67 E HA 0.460 4.810 4.350 -0.000 0.000 0.269 67 E C -1.479 175.411 176.600 0.483 0.000 0.924 67 E CA -1.320 55.297 56.400 0.361 0.000 0.784 67 E CB 3.045 32.873 29.700 0.214 0.000 1.292 67 E HN 0.156 nan 8.360 nan 0.000 0.447 68 Y N -1.439 118.959 120.300 0.165 0.000 2.638 68 Y HA 0.599 5.149 4.550 -0.000 0.000 0.335 68 Y C -1.951 173.960 175.900 0.017 0.000 1.155 68 Y CA -1.256 56.819 58.100 -0.042 0.000 1.046 68 Y CB 0.672 38.739 38.460 -0.654 0.000 1.303 68 Y HN 0.369 nan 8.280 nan 0.000 0.460 69 L N 2.291 123.681 121.223 0.279 0.000 2.334 69 L HA 0.512 4.852 4.340 -0.000 0.000 0.272 69 L C -1.441 175.642 176.870 0.355 0.000 1.020 69 L CA -1.140 53.823 54.840 0.205 0.000 0.812 69 L CB 1.837 43.870 42.059 -0.042 0.000 1.264 69 L HN 0.781 nan 8.230 nan 0.000 0.439 70 Y N 2.097 122.499 120.300 0.171 0.000 2.373 70 Y HA 0.312 4.862 4.550 -0.000 0.000 0.327 70 Y C -0.739 175.144 175.900 -0.028 0.000 1.036 70 Y CA -1.274 56.844 58.100 0.029 0.000 1.265 70 Y CB 0.855 39.351 38.460 0.059 0.000 1.108 70 Y HN 0.400 nan 8.280 nan 0.000 0.471 71 K N 5.480 125.604 120.400 -0.461 0.000 2.383 71 K HA 0.173 4.493 4.320 -0.000 0.000 0.286 71 K C -0.230 175.998 176.600 -0.621 0.000 1.051 71 K CA -0.021 56.006 56.287 -0.432 0.000 0.974 71 K CB 0.768 33.090 32.500 -0.296 0.000 0.968 71 K HN 0.676 nan 8.250 nan 0.000 0.475 72 Q N 1.342 120.905 119.800 -0.395 0.000 2.207 72 Q HA 0.067 4.407 4.340 -0.000 0.000 0.237 72 Q C 0.815 176.700 176.000 -0.191 0.000 0.998 72 Q CA -0.587 55.031 55.803 -0.309 0.000 0.951 72 Q CB 1.157 29.803 28.738 -0.154 0.000 1.213 72 Q HN 0.615 nan 8.270 nan 0.000 0.499 73 E N 0.102 120.225 120.200 -0.129 0.000 2.160 73 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 73 E C 0.795 177.360 176.600 -0.058 0.000 0.991 73 E CA 1.257 57.608 56.400 -0.082 0.000 0.810 73 E CB 0.336 30.004 29.700 -0.054 0.000 0.742 73 E HN 0.418 nan 8.360 nan 0.000 0.466 74 N N -0.210 118.454 118.700 -0.061 0.000 2.646 74 N HA 0.007 4.747 4.740 -0.000 0.000 0.214 74 N C -0.096 175.376 175.510 -0.063 0.000 1.042 74 N CA 0.506 53.530 53.050 -0.044 0.000 0.925 74 N CB 0.266 38.733 38.487 -0.034 0.000 1.383 74 N HN 0.143 nan 8.380 nan 0.000 0.439 75 N N -0.010 118.640 118.700 -0.084 0.000 2.509 75 N HA 0.451 5.191 4.740 -0.000 0.000 0.280 75 N C -0.969 174.467 175.510 -0.123 0.000 1.306 75 N CA -0.578 52.410 53.050 -0.103 0.000 0.782 75 N CB 1.464 39.909 38.487 -0.071 0.000 1.493 75 N HN -0.097 nan 8.380 nan 0.000 0.498 76 I N 0.022 120.521 120.570 -0.117 0.000 2.566 76 I HA 0.397 4.567 4.170 -0.000 0.000 0.303 76 I C -0.443 175.692 176.117 0.031 0.000 0.983 76 I CA -0.883 60.366 61.300 -0.086 0.000 1.235 76 I CB 0.968 38.892 38.000 -0.126 0.000 1.386 76 I HN 0.243 nan 8.210 nan 0.000 0.494 77 L N 5.189 126.460 121.223 0.080 0.000 2.354 77 L HA 0.591 4.931 4.340 -0.000 0.000 0.264 77 L C -0.820 176.127 176.870 0.128 0.000 1.008 77 L CA -0.943 53.948 54.840 0.084 0.000 0.819 77 L CB 2.398 44.491 42.059 0.056 0.000 1.339 77 L HN 0.263 nan 8.230 nan 0.000 0.420 78 V N 2.351 122.279 119.914 0.024 0.000 2.378 78 V HA 0.513 4.633 4.120 -0.000 0.000 0.288 78 V C -0.834 175.161 176.094 -0.165 0.000 1.016 78 V CA -0.174 62.145 62.300 0.032 0.000 0.840 78 V CB 1.093 33.014 31.823 0.162 0.000 0.994 78 V HN 0.474 nan 8.190 nan 0.000 0.431 79 F N 4.951 124.672 119.950 -0.381 0.000 2.408 79 F HA 0.515 5.042 4.527 -0.000 0.000 0.325 79 F C 0.739 176.282 175.800 -0.430 0.000 1.082 79 F CA -0.465 57.231 58.000 -0.507 0.000 1.032 79 F CB 1.359 39.774 39.000 -0.975 0.000 1.259 79 F HN 0.468 nan 8.300 nan 0.000 0.503 80 N N 1.241 119.907 118.700 -0.056 0.000 2.558 80 N HA 0.251 4.991 4.740 -0.000 0.000 0.242 80 N C 0.418 175.880 175.510 -0.080 0.000 0.979 80 N CA 0.013 53.056 53.050 -0.012 0.000 0.931 80 N CB 1.655 40.189 38.487 0.078 0.000 1.122 80 N HN 0.778 nan 8.380 nan 0.000 0.508 81 A N 3.261 126.008 122.820 -0.122 0.000 1.997 81 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 81 A C 1.895 179.102 177.584 -0.628 0.000 1.172 81 A CA 1.907 53.749 52.037 -0.325 0.000 0.645 81 A CB -0.314 18.449 19.000 -0.394 0.000 0.813 81 A HN 0.778 nan 8.150 nan 0.000 0.454 82 E N -0.941 118.927 120.200 -0.554 0.000 2.006 82 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 82 E C 1.572 177.861 176.600 -0.517 0.000 0.993 82 E CA 1.784 57.838 56.400 -0.578 0.000 0.808 82 E CB -0.436 28.832 29.700 -0.721 0.000 0.764 82 E HN 0.673 nan 8.360 nan 0.000 0.449 83 Y N -1.283 119.005 120.300 -0.020 0.000 2.503 83 Y HA 0.343 4.893 4.550 -0.000 0.000 0.278 83 Y C 1.756 177.651 175.900 -0.009 0.000 1.111 83 Y CA 0.520 58.615 58.100 -0.009 0.000 1.270 83 Y CB 0.416 38.877 38.460 0.002 0.000 1.063 83 Y HN 0.294 nan 8.280 nan 0.000 0.548 84 G N 0.497 109.356 108.800 0.097 0.000 2.175 84 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 84 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 84 G C 0.004 175.009 174.900 0.175 0.000 0.982 84 G CA 0.077 45.257 45.100 0.133 0.000 0.641 84 G HN 0.458 nan 8.290 nan 0.000 0.527 85 N N 0.867 119.633 118.700 0.110 0.000 2.525 85 N HA 0.536 5.276 4.740 -0.000 0.000 0.271 85 N C 0.322 175.747 175.510 -0.142 0.000 1.194 85 N CA 0.698 53.751 53.050 0.004 0.000 0.964 85 N CB 1.564 40.061 38.487 0.016 0.000 1.126 85 N HN 0.817 nan 8.380 nan 0.000 0.452 86 S N 0.630 116.133 115.700 -0.329 0.000 2.874 86 S HA 0.844 5.314 4.470 -0.000 0.000 0.318 86 S C -0.716 173.683 174.600 -0.336 0.000 1.109 86 S CA -0.734 57.107 58.200 -0.598 0.000 0.878 86 S CB 1.279 63.644 63.200 -1.392 0.000 1.307 86 S HN 0.704 nan 8.310 nan 0.000 0.592 87 S N -0.522 114.986 115.700 -0.319 0.000 2.580 87 S HA 0.359 4.829 4.470 -0.000 0.000 0.281 87 S C -1.352 173.172 174.600 -0.126 0.000 1.129 87 S CA -0.868 57.228 58.200 -0.172 0.000 0.862 87 S CB 1.155 64.287 63.200 -0.114 0.000 1.090 87 S HN 0.798 nan 8.310 nan 0.000 0.451 88 V N 3.183 123.041 119.914 -0.093 0.000 2.479 88 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 88 V C 0.805 176.885 176.094 -0.023 0.000 1.031 88 V CA 0.193 62.463 62.300 -0.051 0.000 1.038 88 V CB -0.190 31.593 31.823 -0.066 0.000 0.981 88 V HN 0.936 nan 8.190 nan 0.000 0.478 89 F N 6.351 126.250 119.950 -0.084 0.000 2.293 89 F HA 0.231 4.758 4.527 -0.000 0.000 0.297 89 F C 0.587 176.355 175.800 -0.054 0.000 1.089 89 F CA 0.616 58.581 58.000 -0.059 0.000 1.377 89 F CB 0.512 39.488 39.000 -0.039 0.000 1.051 89 F HN 0.388 nan 8.300 nan 0.000 0.511 90 L N -0.216 121.039 121.223 0.054 0.000 2.905 90 L HA 0.395 4.735 4.340 -0.000 0.000 0.260 90 L C -0.754 176.070 176.870 -0.078 0.000 0.933 90 L CA -0.967 53.850 54.840 -0.038 0.000 1.034 90 L CB 0.081 42.187 42.059 0.078 0.000 1.550 90 L HN -0.216 nan 8.230 nan 0.000 0.480 91 E N 2.401 122.523 120.200 -0.130 0.000 2.492 91 E HA 0.025 4.375 4.350 -0.000 0.000 0.266 91 E C 1.329 177.856 176.600 -0.121 0.000 1.187 91 E CA 1.014 57.339 56.400 -0.125 0.000 1.036 91 E CB 0.609 30.225 29.700 -0.140 0.000 0.994 91 E HN 0.775 nan 8.360 nan 0.000 0.468 92 N N -0.256 118.394 118.700 -0.083 0.000 2.424 92 N HA -0.093 4.647 4.740 -0.000 0.000 0.178 92 N C 0.937 176.423 175.510 -0.040 0.000 1.060 92 N CA 0.878 53.904 53.050 -0.040 0.000 0.901 92 N CB 0.050 38.519 38.487 -0.030 0.000 0.979 92 N HN 0.277 nan 8.380 nan 0.000 0.451 93 S N -0.272 115.374 115.700 -0.090 0.000 2.486 93 S HA 0.016 4.486 4.470 -0.000 0.000 0.220 93 S C 1.634 176.124 174.600 -0.184 0.000 1.011 93 S CA 0.351 58.495 58.200 -0.093 0.000 0.921 93 S CB -0.641 62.510 63.200 -0.082 0.000 0.785 93 S HN 0.145 nan 8.310 nan 0.000 0.517 94 T N 1.881 116.226 114.554 -0.349 0.000 2.751 94 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 94 T C 0.267 174.430 174.700 -0.894 0.000 1.045 94 T CA 1.624 63.290 62.100 -0.723 0.000 1.142 94 T CB -0.516 67.650 68.868 -1.170 0.000 0.851 94 T HN 0.610 nan 8.240 nan 0.000 0.474 95 F N 0.445 120.348 119.950 -0.078 0.000 2.805 95 F HA 0.357 4.884 4.527 -0.000 0.000 0.317 95 F C 1.111 176.928 175.800 0.029 0.000 1.146 95 F CA -1.393 56.583 58.000 -0.040 0.000 1.265 95 F CB 0.022 38.924 39.000 -0.165 0.000 0.992 95 F HN -0.083 nan 8.300 nan 0.000 0.511 96 D N 1.525 121.980 120.400 0.091 0.000 2.205 96 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 96 D C 1.291 177.649 176.300 0.096 0.000 1.002 96 D CA 1.824 55.867 54.000 0.072 0.000 0.848 96 D CB -0.227 40.584 40.800 0.019 0.000 0.975 96 D HN 0.539 nan 8.370 nan 0.000 0.449 97 E N 0.304 120.552 120.200 0.080 0.000 2.368 97 E HA 0.047 4.397 4.350 -0.000 0.000 0.283 97 E C 0.687 177.335 176.600 0.080 0.000 1.476 97 E CA -0.375 56.054 56.400 0.050 0.000 1.786 97 E CB -0.394 29.312 29.700 0.010 0.000 1.518 97 E HN 0.164 nan 8.360 nan 0.000 0.456 98 F N 1.733 121.672 119.950 -0.019 0.000 2.325 98 F HA 0.146 4.673 4.527 -0.000 0.000 0.299 98 F C 1.671 177.361 175.800 -0.183 0.000 1.090 98 F CA 1.643 59.617 58.000 -0.043 0.000 1.392 98 F CB 0.223 39.205 39.000 -0.031 0.000 1.053 98 F HN 0.439 nan 8.300 nan 0.000 0.521 99 G N -1.015 107.626 108.800 -0.265 0.000 2.232 99 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.226 99 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.226 99 G C 0.194 174.658 174.900 -0.728 0.000 0.996 99 G CA 0.237 45.005 45.100 -0.554 0.000 0.626 99 G HN 0.541 nan 8.290 nan 0.000 0.509 100 H N -0.382 118.632 119.070 -0.093 0.000 2.946 100 H HA 0.668 5.224 4.556 -0.000 0.000 0.365 100 H C -0.609 174.804 175.328 0.143 0.000 1.197 100 H CA 0.024 56.079 56.048 0.011 0.000 1.131 100 H CB 1.421 31.095 29.762 -0.147 0.000 1.849 100 H HN 0.167 nan 8.280 nan 0.000 0.555 101 S N 1.458 117.299 115.700 0.234 0.000 2.439 101 S HA 0.307 4.777 4.470 -0.000 0.000 0.282 101 S C 0.106 174.746 174.600 0.066 0.000 1.170 101 S CA -0.704 57.568 58.200 0.120 0.000 1.054 101 S CB -0.756 62.497 63.200 0.089 0.000 0.956 101 S HN 0.343 nan 8.310 nan 0.000 0.490 102 I N 6.216 126.742 120.570 -0.074 0.000 2.337 102 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 102 I C 1.583 177.565 176.117 -0.226 0.000 1.046 102 I CA -0.419 60.718 61.300 -0.271 0.000 1.324 102 I CB 0.652 38.266 38.000 -0.644 0.000 1.409 102 I HN 0.726 nan 8.210 nan 0.000 0.494 103 N N 5.169 123.750 118.700 -0.198 0.000 2.422 103 N HA 0.008 4.748 4.740 -0.000 0.000 0.181 103 N C -0.090 175.297 175.510 -0.205 0.000 1.080 103 N CA 0.519 53.456 53.050 -0.188 0.000 0.893 103 N CB 0.614 38.972 38.487 -0.215 0.000 0.973 103 N HN 0.591 nan 8.380 nan 0.000 0.456 104 D N -1.345 118.881 120.400 -0.290 0.000 2.683 104 D HA 0.251 4.891 4.640 -0.000 0.000 0.246 104 D C -1.702 174.394 176.300 -0.341 0.000 1.238 104 D CA -0.360 53.536 54.000 -0.174 0.000 0.759 104 D CB 1.227 41.982 40.800 -0.075 0.000 1.349 104 D HN -0.108 nan 8.370 nan 0.000 0.426 105 Y N -0.107 120.182 120.300 -0.020 0.000 2.602 105 Y HA 0.594 5.144 4.550 -0.000 0.000 0.342 105 Y C 0.139 176.092 175.900 0.089 0.000 1.029 105 Y CA -0.776 57.333 58.100 0.015 0.000 1.080 105 Y CB 2.290 40.749 38.460 -0.001 0.000 1.284 105 Y HN 0.138 nan 8.280 nan 0.000 0.485 106 S N 1.828 117.723 115.700 0.326 0.000 2.536 106 S HA 0.477 4.947 4.470 -0.000 0.000 0.246 106 S C -1.458 173.409 174.600 0.445 0.000 1.077 106 S CA -0.462 57.947 58.200 0.348 0.000 1.091 106 S CB -0.192 63.218 63.200 0.349 0.000 1.148 106 S HN 0.570 nan 8.310 nan 0.000 0.447 107 I N 4.598 125.302 120.570 0.222 0.000 2.416 107 I HA 0.227 4.397 4.170 -0.000 0.000 0.288 107 I C 1.124 177.090 176.117 -0.252 0.000 1.051 107 I CA -0.342 60.996 61.300 0.063 0.000 1.375 107 I CB 1.430 39.397 38.000 -0.054 0.000 1.407 107 I HN 0.753 nan 8.210 nan 0.000 0.516 108 S N 8.022 123.240 115.700 -0.803 0.000 2.566 108 S HA 0.106 4.576 4.470 -0.000 0.000 0.280 108 S C -1.425 172.844 174.600 -0.552 0.000 1.343 108 S CA -0.947 56.338 58.200 -1.525 0.000 1.036 108 S CB 0.352 62.433 63.200 -1.865 0.000 0.866 108 S HN 0.557 nan 8.310 nan 0.000 0.526 109 P HA -0.005 nan 4.420 nan 0.000 0.239 109 P C 0.232 177.465 177.300 -0.111 0.000 1.184 109 P CA 0.736 63.753 63.100 -0.139 0.000 0.760 109 P CB 0.012 31.667 31.700 -0.075 0.000 0.884 110 D N -0.240 120.060 120.400 -0.167 0.000 2.240 110 D HA 0.062 4.702 4.640 -0.000 0.000 0.206 110 D C 1.826 178.105 176.300 -0.035 0.000 0.963 110 D CA 1.572 55.529 54.000 -0.071 0.000 0.863 110 D CB -0.319 40.481 40.800 -0.000 0.000 0.973 110 D HN 0.151 nan 8.370 nan 0.000 0.501 111 G N 0.158 108.928 108.800 -0.050 0.000 2.199 111 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.254 111 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.254 111 G C 1.167 176.077 174.900 0.016 0.000 0.982 111 G CA 0.652 45.782 45.100 0.050 0.000 0.632 111 G HN 0.430 nan 8.290 nan 0.000 0.529 112 Q N -1.233 118.503 119.800 -0.106 0.000 2.212 112 Q HA 0.332 4.672 4.340 -0.000 0.000 0.199 112 Q C 0.277 175.891 176.000 -0.643 0.000 0.950 112 Q CA 0.755 56.326 55.803 -0.387 0.000 0.863 112 Q CB 0.237 28.686 28.738 -0.481 0.000 0.944 112 Q HN 0.563 nan 8.270 nan 0.000 0.465 113 F N -0.539 119.398 119.950 -0.022 0.000 2.603 113 F HA 0.508 5.035 4.527 -0.000 0.000 0.317 113 F C -0.410 175.507 175.800 0.194 0.000 1.066 113 F CA -1.081 56.975 58.000 0.093 0.000 0.941 113 F CB 1.538 40.622 39.000 0.139 0.000 1.291 113 F HN -0.240 nan 8.300 nan 0.000 0.472 114 I N 2.928 123.849 120.570 0.585 0.000 2.465 114 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 114 I C -1.348 175.094 176.117 0.541 0.000 1.014 114 I CA -1.014 60.608 61.300 0.536 0.000 1.093 114 I CB 2.064 40.379 38.000 0.525 0.000 1.267 114 I HN 0.286 nan 8.210 nan 0.000 0.431 115 L N 7.324 128.856 121.223 0.516 0.000 2.289 115 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 115 L C -0.927 176.035 176.870 0.154 0.000 1.049 115 L CA -0.066 54.971 54.840 0.327 0.000 0.804 115 L CB 0.993 43.202 42.059 0.249 0.000 1.195 115 L HN 0.425 nan 8.230 nan 0.000 0.428 116 L N 4.881 126.130 121.223 0.044 0.000 2.325 116 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 116 L C -0.287 176.518 176.870 -0.110 0.000 1.004 116 L CA -0.491 54.207 54.840 -0.236 0.000 0.823 116 L CB 1.699 43.439 42.059 -0.532 0.000 1.236 116 L HN 0.616 nan 8.230 nan 0.000 0.415 117 E N 3.672 123.732 120.200 -0.234 0.000 2.156 117 E HA 0.472 4.822 4.350 -0.000 0.000 0.279 117 E C -1.604 174.886 176.600 -0.183 0.000 0.965 117 E CA -0.497 55.699 56.400 -0.339 0.000 0.789 117 E CB 1.157 30.726 29.700 -0.219 0.000 1.098 117 E HN 0.440 nan 8.360 nan 0.000 0.397 118 Y N 1.544 121.616 120.300 -0.380 0.000 2.715 118 Y HA 0.447 4.996 4.550 -0.000 0.000 0.331 118 Y C -0.104 175.682 175.900 -0.190 0.000 1.197 118 Y CA -1.701 56.274 58.100 -0.209 0.000 1.079 118 Y CB 0.405 38.818 38.460 -0.078 0.000 1.298 118 Y HN 0.506 nan 8.280 nan 0.000 0.477 119 N N -0.472 118.215 118.700 -0.022 0.000 2.721 119 N HA -0.301 4.439 4.740 -0.000 0.000 0.249 119 N C -0.971 174.488 175.510 -0.085 0.000 1.072 119 N CA 1.025 54.013 53.050 -0.102 0.000 0.710 119 N CB -1.573 36.746 38.487 -0.279 0.000 0.993 119 N HN 0.850 nan 8.380 nan 0.000 0.547 120 Y N 0.290 120.506 120.300 -0.141 0.000 2.632 120 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 120 Y C 0.016 175.874 175.900 -0.071 0.000 1.174 120 Y CA 0.067 58.090 58.100 -0.128 0.000 1.469 120 Y CB 0.653 38.991 38.460 -0.203 0.000 1.242 120 Y HN -0.013 nan 8.280 nan 0.000 0.540 121 V N 8.062 127.604 119.914 -0.620 0.000 2.482 121 V HA 0.214 4.334 4.120 -0.000 0.000 0.295 121 V C -0.403 175.288 176.094 -0.672 0.000 1.026 121 V CA -1.385 60.612 62.300 -0.506 0.000 0.856 121 V CB 1.422 33.100 31.823 -0.242 0.000 1.001 121 V HN 0.738 nan 8.190 nan 0.000 0.424 122 K N 3.964 123.969 120.400 -0.657 0.000 2.298 122 K HA 0.318 4.637 4.320 -0.000 0.000 0.280 122 K C 0.415 176.853 176.600 -0.270 0.000 1.032 122 K CA 0.011 56.068 56.287 -0.383 0.000 0.958 122 K CB 1.369 33.814 32.500 -0.093 0.000 0.978 122 K HN 0.814 nan 8.250 nan 0.000 0.472 123 Q N 3.383 123.004 119.800 -0.298 0.000 2.679 123 Q HA 0.168 4.508 4.340 -0.000 0.000 0.255 123 Q C -0.101 175.630 176.000 -0.448 0.000 1.053 123 Q CA -0.366 55.065 55.803 -0.620 0.000 0.620 123 Q CB 0.061 28.275 28.738 -0.872 0.000 3.775 123 Q HN 0.729 nan 8.270 nan 0.000 0.446 124 W N 0.114 121.422 121.300 0.013 0.000 1.945 124 W HA 0.314 4.974 4.660 -0.000 0.000 0.606 124 W C 1.818 178.341 176.519 0.007 0.000 1.803 124 W CA -0.520 56.864 57.345 0.065 0.000 1.990 124 W CB -0.136 29.340 29.460 0.026 0.000 2.848 124 W HN 0.352 nan 8.180 nan 0.000 0.771 125 R N -0.572 120.052 120.500 0.208 0.000 2.105 125 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 125 R C 1.654 177.783 176.300 -0.286 0.000 1.135 125 R CA 2.076 58.103 56.100 -0.121 0.000 0.967 125 R CB -0.476 29.606 30.300 -0.364 0.000 0.861 125 R HN 0.466 nan 8.270 nan 0.000 0.442 126 H N -1.339 117.835 119.070 0.174 0.000 2.926 126 H HA 0.245 4.801 4.556 -0.000 0.000 0.249 126 H C 0.484 175.943 175.328 0.219 0.000 0.963 126 H CA 0.515 56.687 56.048 0.205 0.000 1.158 126 H CB 0.137 29.994 29.762 0.157 0.000 1.445 126 H HN 0.222 nan 8.280 nan 0.000 0.452 127 S N 1.225 116.962 115.700 0.063 0.000 2.600 127 S HA 0.390 4.860 4.470 -0.000 0.000 0.265 127 S C -0.257 174.265 174.600 -0.130 0.000 1.325 127 S CA -0.387 57.564 58.200 -0.415 0.000 1.002 127 S CB 0.872 63.265 63.200 -1.345 0.000 0.921 127 S HN 0.485 nan 8.310 nan 0.000 0.554 128 Y N -3.020 117.128 120.300 -0.253 0.000 2.879 128 Y HA 0.535 5.085 4.550 -0.000 0.000 0.385 128 Y C -1.001 174.886 175.900 -0.021 0.000 1.153 128 Y CA -0.841 57.132 58.100 -0.211 0.000 1.245 128 Y CB 0.234 38.557 38.460 -0.227 0.000 1.472 128 Y HN 0.974 nan 8.280 nan 0.000 0.490 129 T N 0.148 114.754 114.554 0.086 0.000 2.924 129 T HA 1.041 5.391 4.350 -0.000 0.000 0.291 129 T C -0.480 174.307 174.700 0.145 0.000 1.045 129 T CA -0.157 62.005 62.100 0.103 0.000 1.015 129 T CB 1.841 70.728 68.868 0.031 0.000 1.103 129 T HN 2.011 nan 8.240 nan 0.000 0.496 130 A N 0.894 123.771 122.820 0.095 0.000 2.564 130 A HA 0.788 5.108 4.320 -0.000 0.000 0.291 130 A C -0.589 176.761 177.584 -0.390 0.000 1.102 130 A CA -0.980 50.958 52.037 -0.165 0.000 0.660 130 A CB 1.019 19.899 19.000 -0.199 0.000 1.283 130 A HN 0.875 nan 8.150 nan 0.000 0.430 131 S N -0.811 114.390 115.700 -0.832 0.000 2.651 131 S HA 0.805 5.275 4.470 -0.000 0.000 0.291 131 S C -1.582 172.338 174.600 -1.133 0.000 1.141 131 S CA -0.063 57.563 58.200 -0.957 0.000 1.027 131 S CB 0.683 62.952 63.200 -1.553 0.000 1.043 131 S HN 0.456 nan 8.310 nan 0.000 0.530 132 Y N 0.153 120.234 120.300 -0.366 0.000 2.396 132 Y HA 0.393 4.943 4.550 -0.000 0.000 0.332 132 Y C -0.491 175.444 175.900 0.057 0.000 1.034 132 Y CA -0.884 57.147 58.100 -0.115 0.000 1.057 132 Y CB 1.631 39.956 38.460 -0.224 0.000 1.220 132 Y HN 0.502 nan 8.280 nan 0.000 0.440 133 D N 3.567 124.169 120.400 0.338 0.000 2.350 133 D HA 0.543 5.183 4.640 -0.000 0.000 0.245 133 D C -0.694 175.731 176.300 0.208 0.000 1.036 133 D CA -0.309 53.859 54.000 0.280 0.000 0.848 133 D CB 2.588 43.638 40.800 0.416 0.000 1.307 133 D HN 0.427 nan 8.370 nan 0.000 0.469 134 I N 2.018 122.704 120.570 0.194 0.000 2.377 134 I HA 0.216 4.386 4.170 -0.000 0.000 0.293 134 I C -0.787 175.550 176.117 0.367 0.000 0.987 134 I CA -0.944 60.505 61.300 0.248 0.000 1.185 134 I CB 1.274 39.352 38.000 0.130 0.000 1.341 134 I HN 0.228 nan 8.210 nan 0.000 0.455 135 Y N 5.487 125.977 120.300 0.317 0.000 2.331 135 Y HA 0.263 4.813 4.550 -0.000 0.000 0.338 135 Y C -0.105 176.035 175.900 0.401 0.000 0.992 135 Y CA -0.767 57.538 58.100 0.343 0.000 1.121 135 Y CB 1.075 39.767 38.460 0.385 0.000 1.184 135 Y HN 0.482 nan 8.280 nan 0.000 0.469 136 D N 6.433 126.772 120.400 -0.101 0.000 2.352 136 D HA 0.071 4.711 4.640 -0.000 0.000 0.245 136 D C 0.752 176.798 176.300 -0.424 0.000 1.224 136 D CA 0.280 54.201 54.000 -0.132 0.000 0.879 136 D CB 0.845 41.618 40.800 -0.046 0.000 1.057 136 D HN 0.868 nan 8.370 nan 0.000 0.491 137 L N 3.691 124.755 121.223 -0.266 0.000 2.131 137 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 137 L C 2.154 178.893 176.870 -0.218 0.000 1.092 137 L CA 0.615 55.368 54.840 -0.144 0.000 0.759 137 L CB -0.294 41.730 42.059 -0.059 0.000 0.903 137 L HN 0.397 nan 8.230 nan 0.000 0.435 138 N N 0.746 119.269 118.700 -0.295 0.000 2.028 138 N HA -0.174 4.566 4.740 -0.000 0.000 0.194 138 N C 1.628 177.031 175.510 -0.178 0.000 1.050 138 N CA 1.438 54.353 53.050 -0.225 0.000 0.848 138 N CB -0.263 38.079 38.487 -0.242 0.000 1.038 138 N HN 0.369 nan 8.380 nan 0.000 0.423 139 K N 0.841 121.127 120.400 -0.189 0.000 2.432 139 K HA 0.129 4.449 4.320 -0.000 0.000 0.196 139 K C -0.143 176.355 176.600 -0.169 0.000 1.038 139 K CA 0.015 56.215 56.287 -0.145 0.000 0.986 139 K CB 0.214 32.646 32.500 -0.112 0.000 0.782 139 K HN 0.179 nan 8.250 nan 0.000 0.485 140 R N 0.876 121.216 120.500 -0.266 0.000 3.336 140 R HA -0.193 4.147 4.340 -0.000 0.000 0.260 140 R C -0.532 175.597 176.300 -0.286 0.000 1.032 140 R CA 0.467 56.421 56.100 -0.244 0.000 0.693 140 R CB -2.020 28.259 30.300 -0.035 0.000 1.134 140 R HN 0.313 nan 8.270 nan 0.000 0.433 141 Q N 0.023 119.481 119.800 -0.571 0.000 2.416 141 Q HA 0.571 4.911 4.340 -0.000 0.000 0.281 141 Q C -1.042 174.834 176.000 -0.208 0.000 1.067 141 Q CA -0.742 54.922 55.803 -0.233 0.000 0.809 141 Q CB 1.804 30.486 28.738 -0.093 0.000 1.418 141 Q HN 0.292 nan 8.270 nan 0.000 0.411 142 L N 3.274 124.591 121.223 0.157 0.000 2.371 142 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 142 L C -0.354 176.605 176.870 0.147 0.000 1.124 142 L CA -0.473 54.539 54.840 0.287 0.000 0.816 142 L CB 0.750 43.024 42.059 0.358 0.000 1.129 142 L HN 0.641 nan 8.230 nan 0.000 0.448 143 I N 2.142 122.800 120.570 0.146 0.000 2.325 143 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 143 I C 1.122 177.275 176.117 0.060 0.000 1.019 143 I CA -0.055 61.293 61.300 0.080 0.000 1.302 143 I CB 1.537 39.571 38.000 0.056 0.000 1.401 143 I HN 0.688 nan 8.210 nan 0.000 0.485 144 T N 1.149 115.724 114.554 0.035 0.000 3.040 144 T HA 0.122 4.472 4.350 -0.000 0.000 0.250 144 T C 0.480 175.171 174.700 -0.014 0.000 1.058 144 T CA -0.271 61.839 62.100 0.016 0.000 0.988 144 T CB 0.007 68.884 68.868 0.016 0.000 0.993 144 T HN 0.610 nan 8.240 nan 0.000 0.519 145 E N 1.358 121.544 120.200 -0.023 0.000 2.202 145 E HA 0.281 4.631 4.350 -0.000 0.000 0.272 145 E C -0.557 176.002 176.600 -0.068 0.000 0.951 145 E CA -0.677 55.697 56.400 -0.043 0.000 0.813 145 E CB 0.995 30.674 29.700 -0.035 0.000 1.151 145 E HN 0.107 nan 8.360 nan 0.000 0.398 146 E N 0.171 120.317 120.200 -0.089 0.000 2.539 146 E HA -0.254 4.096 4.350 -0.000 0.000 0.253 146 E C 0.105 176.616 176.600 -0.149 0.000 1.145 146 E CA 1.097 57.425 56.400 -0.119 0.000 0.738 146 E CB -1.727 27.909 29.700 -0.107 0.000 1.308 146 E HN 0.772 nan 8.360 nan 0.000 0.409 147 R N -0.116 120.296 120.500 -0.147 0.000 2.738 147 R HA 0.397 4.737 4.340 -0.000 0.000 0.268 147 R C 0.759 176.883 176.300 -0.293 0.000 1.062 147 R CA -0.412 55.587 56.100 -0.168 0.000 1.158 147 R CB 0.440 30.677 30.300 -0.105 0.000 1.046 147 R HN 0.037 nan 8.270 nan 0.000 0.493 148 I N 3.233 123.593 120.570 -0.350 0.000 2.598 148 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 148 I C -1.421 174.388 176.117 -0.514 0.000 1.140 148 I CA -1.824 59.111 61.300 -0.609 0.000 1.420 148 I CB 0.534 38.182 38.000 -0.587 0.000 1.387 148 I HN 0.599 nan 8.210 nan 0.000 0.553 149 P HA 0.029 nan 4.420 nan 0.000 0.271 149 P C -0.854 176.211 177.300 -0.393 0.000 1.233 149 P CA -0.269 62.434 63.100 -0.661 0.000 0.789 149 P CB 0.540 31.458 31.700 -1.303 0.000 0.951 150 N N 1.444 119.998 118.700 -0.244 0.000 2.381 150 N HA 0.031 4.771 4.740 -0.000 0.000 0.254 150 N C 0.723 176.273 175.510 0.067 0.000 1.264 150 N CA -0.053 52.920 53.050 -0.128 0.000 0.942 150 N CB -0.378 38.043 38.487 -0.109 0.000 1.190 150 N HN 0.444 nan 8.380 nan 0.000 0.495 151 N N -1.230 117.502 118.700 0.053 0.000 2.725 151 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 151 N C -0.784 174.890 175.510 0.273 0.000 1.103 151 N CA 0.753 53.885 53.050 0.136 0.000 0.707 151 N CB -1.657 36.924 38.487 0.157 0.000 1.043 151 N HN 0.484 nan 8.380 nan 0.000 0.553 152 T N 0.737 115.443 114.554 0.253 0.000 2.919 152 T HA 0.124 4.473 4.350 -0.000 0.000 0.302 152 T C 1.718 176.564 174.700 0.244 0.000 1.031 152 T CA 0.118 62.392 62.100 0.291 0.000 1.127 152 T CB 1.231 70.177 68.868 0.131 0.000 0.952 152 T HN 0.183 nan 8.240 nan 0.000 0.540 153 Q N 1.255 121.191 119.800 0.228 0.000 2.349 153 Q HA 0.185 4.525 4.340 -0.000 0.000 0.209 153 Q C 0.061 176.210 176.000 0.247 0.000 0.920 153 Q CA 0.277 56.227 55.803 0.245 0.000 0.901 153 Q CB 0.941 29.796 28.738 0.196 0.000 1.021 153 Q HN 0.680 nan 8.270 nan 0.000 0.519 154 W N 0.343 121.593 121.300 -0.085 0.000 3.573 154 W HA 0.467 5.127 4.660 -0.000 0.000 0.306 154 W C -2.177 174.245 176.519 -0.161 0.000 1.227 154 W CA -0.615 56.638 57.345 -0.153 0.000 1.212 154 W CB 1.352 30.667 29.460 -0.242 0.000 1.331 154 W HN -0.336 nan 8.180 nan 0.000 0.524 155 V N 3.260 122.510 119.914 -1.106 0.000 2.962 155 V HA 0.804 4.924 4.120 -0.000 0.000 0.313 155 V C -0.425 175.117 176.094 -0.921 0.000 1.099 155 V CA -0.690 61.087 62.300 -0.872 0.000 0.971 155 V CB 1.851 33.006 31.823 -1.114 0.000 1.028 155 V HN 0.498 nan 8.190 nan 0.000 0.430 156 T N 1.942 116.237 114.554 -0.432 0.000 3.225 156 T HA 0.418 4.768 4.350 -0.000 0.000 0.356 156 T C -1.733 172.987 174.700 0.034 0.000 1.460 156 T CA -0.390 61.632 62.100 -0.132 0.000 1.126 156 T CB 0.663 69.681 68.868 0.250 0.000 1.321 156 T HN 0.544 nan 8.240 nan 0.000 0.478 157 W N 3.094 124.428 121.300 0.057 0.000 2.161 157 W HA 0.498 5.158 4.660 -0.000 0.000 0.344 157 W C 1.250 177.564 176.519 -0.343 0.000 1.262 157 W CA -0.552 56.756 57.345 -0.062 0.000 1.270 157 W CB 0.687 30.122 29.460 -0.041 0.000 1.126 157 W HN 0.780 nan 8.180 nan 0.000 0.598 158 S N 1.038 116.487 115.700 -0.419 0.000 2.600 158 S HA 0.185 4.655 4.470 -0.000 0.000 0.265 158 S C -1.880 172.439 174.600 -0.468 0.000 1.325 158 S CA -0.988 56.459 58.200 -1.256 0.000 1.002 158 S CB 1.089 63.586 63.200 -1.171 0.000 0.921 158 S HN 0.258 nan 8.310 nan 0.000 0.554 159 P HA -0.067 nan 4.420 nan 0.000 0.219 159 P C 1.336 178.583 177.300 -0.087 0.000 1.146 159 P CA 1.195 64.234 63.100 -0.102 0.000 0.808 159 P CB -0.105 31.574 31.700 -0.035 0.000 0.779 160 V N -5.028 114.799 119.914 -0.145 0.000 3.097 160 V HA 0.436 4.556 4.120 -0.000 0.000 0.223 160 V C 1.754 177.764 176.094 -0.139 0.000 1.199 160 V CA 0.833 63.067 62.300 -0.109 0.000 1.260 160 V CB -1.438 30.332 31.823 -0.088 0.000 1.155 160 V HN 0.026 nan 8.190 nan 0.000 0.509 161 G N 1.642 110.328 108.800 -0.189 0.000 2.792 161 G HA2 0.068 4.028 3.960 -0.000 0.000 0.147 161 G HA3 0.068 4.028 3.960 -0.000 0.000 0.147 161 G C 0.741 175.526 174.900 -0.192 0.000 1.838 161 G CA 0.800 45.749 45.100 -0.253 0.000 0.980 161 G HN 1.062 nan 8.290 nan 0.000 0.436 162 H N -1.176 117.896 119.070 0.004 0.000 2.885 162 H HA 0.428 4.984 4.556 -0.000 0.000 0.237 162 H C -0.129 175.376 175.328 0.296 0.000 1.229 162 H CA -0.534 55.572 56.048 0.097 0.000 0.947 162 H CB -0.062 29.793 29.762 0.155 0.000 2.223 162 H HN 0.160 nan 8.280 nan 0.000 0.628 163 K N 1.552 122.080 120.400 0.212 0.000 2.180 163 K HA 0.486 4.806 4.320 -0.000 0.000 0.251 163 K C -0.476 176.256 176.600 0.219 0.000 1.014 163 K CA -0.316 56.068 56.287 0.162 0.000 0.913 163 K CB 1.441 33.885 32.500 -0.094 0.000 1.008 163 K HN 0.151 nan 8.250 nan 0.000 0.490 164 L N 0.498 121.846 121.223 0.209 0.000 2.409 164 L HA 0.586 4.925 4.340 -0.000 0.000 0.262 164 L C -1.276 175.775 176.870 0.302 0.000 0.992 164 L CA -0.872 54.036 54.840 0.113 0.000 0.817 164 L CB 2.263 44.220 42.059 -0.170 0.000 1.350 164 L HN 0.714 nan 8.230 nan 0.000 0.411 165 A N 2.312 125.303 122.820 0.284 0.000 2.381 165 A HA 0.798 5.118 4.320 -0.000 0.000 0.299 165 A C -1.652 175.960 177.584 0.048 0.000 1.049 165 A CA -0.382 51.726 52.037 0.119 0.000 0.715 165 A CB 1.133 20.157 19.000 0.041 0.000 1.222 165 A HN 0.635 nan 8.150 nan 0.000 0.428 166 Y N -0.307 119.954 120.300 -0.065 0.000 2.609 166 Y HA 0.818 5.368 4.550 -0.000 0.000 0.342 166 Y C -1.055 174.858 175.900 0.022 0.000 1.058 166 Y CA -1.681 56.360 58.100 -0.098 0.000 1.055 166 Y CB 1.257 39.590 38.460 -0.211 0.000 1.292 166 Y HN 0.373 nan 8.280 nan 0.000 0.476 167 V N 1.873 121.932 119.914 0.243 0.000 2.448 167 V HA 0.361 4.481 4.120 -0.000 0.000 0.295 167 V C -1.493 174.824 176.094 0.371 0.000 1.025 167 V CA -0.628 61.784 62.300 0.186 0.000 0.859 167 V CB 1.309 33.148 31.823 0.027 0.000 0.988 167 V HN 0.872 nan 8.190 nan 0.000 0.431 168 W N 5.061 126.476 121.300 0.191 0.000 3.042 168 W HA 0.470 5.130 4.660 -0.000 0.000 0.337 168 W C 0.225 176.806 176.519 0.103 0.000 1.086 168 W CA -0.770 56.656 57.345 0.135 0.000 1.236 168 W CB 1.219 30.741 29.460 0.104 0.000 1.381 168 W HN 0.791 nan 8.180 nan 0.000 0.472 169 N N 5.482 123.830 118.700 -0.587 0.000 2.740 169 N HA -0.338 4.402 4.740 -0.000 0.000 0.248 169 N C 0.127 175.463 175.510 -0.289 0.000 1.062 169 N CA 0.974 53.664 53.050 -0.599 0.000 0.704 169 N CB -1.188 36.713 38.487 -0.977 0.000 0.968 169 N HN 0.861 nan 8.380 nan 0.000 0.547 170 N N -1.765 116.829 118.700 -0.177 0.000 2.753 170 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 170 N C -1.279 174.150 175.510 -0.135 0.000 1.097 170 N CA 1.081 54.049 53.050 -0.137 0.000 0.786 170 N CB -0.351 38.016 38.487 -0.200 0.000 1.137 170 N HN 0.436 nan 8.380 nan 0.000 0.566 171 D N 0.441 120.769 120.400 -0.119 0.000 2.340 171 D HA 0.486 5.125 4.640 -0.000 0.000 0.240 171 D C 0.229 176.349 176.300 -0.301 0.000 1.001 171 D CA -0.376 53.475 54.000 -0.247 0.000 0.888 171 D CB 1.563 42.172 40.800 -0.318 0.000 1.310 171 D HN 0.026 nan 8.370 nan 0.000 0.474 172 I N 1.560 121.789 120.570 -0.569 0.000 2.396 172 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 172 I C -0.691 174.900 176.117 -0.876 0.000 0.999 172 I CA -0.474 60.463 61.300 -0.605 0.000 1.310 172 I CB 0.580 38.153 38.000 -0.710 0.000 1.404 172 I HN 0.163 nan 8.210 nan 0.000 0.496 173 Y N 4.018 123.928 120.300 -0.650 0.000 2.512 173 Y HA 0.607 5.157 4.550 -0.000 0.000 0.348 173 Y C -0.347 175.178 175.900 -0.625 0.000 0.990 173 Y CA -0.881 56.782 58.100 -0.728 0.000 1.033 173 Y CB 2.165 39.906 38.460 -1.198 0.000 1.259 173 Y HN 0.116 nan 8.280 nan 0.000 0.461 174 V N 2.908 122.733 119.914 -0.149 0.000 2.588 174 V HA 0.453 4.573 4.120 -0.000 0.000 0.304 174 V C -0.862 175.321 176.094 0.148 0.000 1.042 174 V CA -1.359 60.958 62.300 0.029 0.000 0.877 174 V CB 2.013 33.896 31.823 0.099 0.000 0.996 174 V HN 0.618 nan 8.190 nan 0.000 0.425 175 K N 3.856 124.358 120.400 0.171 0.000 2.394 175 K HA 0.464 4.784 4.320 -0.000 0.000 0.260 175 K C 0.100 176.811 176.600 0.184 0.000 0.967 175 K CA -0.640 55.725 56.287 0.130 0.000 0.855 175 K CB 1.989 34.536 32.500 0.079 0.000 1.101 175 K HN 0.446 nan 8.250 nan 0.000 0.433 176 I N 1.333 122.026 120.570 0.205 0.000 2.617 176 I HA -0.097 4.073 4.170 -0.000 0.000 0.256 176 I C 0.331 176.578 176.117 0.216 0.000 1.167 176 I CA 1.305 62.739 61.300 0.224 0.000 1.469 176 I CB 0.160 38.313 38.000 0.254 0.000 1.098 176 I HN 0.475 nan 8.210 nan 0.000 0.436 177 E N -0.769 119.505 120.200 0.125 0.000 2.275 177 E HA 0.263 4.613 4.350 -0.000 0.000 0.270 177 E C -1.938 174.598 176.600 -0.106 0.000 0.882 177 E CA -1.795 54.627 56.400 0.037 0.000 0.758 177 E CB 1.707 31.430 29.700 0.038 0.000 1.195 177 E HN -0.209 nan 8.360 nan 0.000 0.419 178 P HA -0.213 nan 4.420 nan 0.000 0.218 178 P C 0.639 177.813 177.300 -0.209 0.000 1.150 178 P CA 1.638 64.526 63.100 -0.354 0.000 0.841 178 P CB 0.288 31.486 31.700 -0.836 0.000 0.784 179 N N -2.910 115.695 118.700 -0.159 0.000 2.205 179 N HA 0.075 4.815 4.740 -0.000 0.000 0.201 179 N C -0.068 175.397 175.510 -0.075 0.000 1.128 179 N CA 0.062 53.057 53.050 -0.091 0.000 0.867 179 N CB -0.541 37.916 38.487 -0.051 0.000 0.996 179 N HN -0.014 nan 8.380 nan 0.000 0.503 180 L N 0.621 121.797 121.223 -0.078 0.000 2.399 180 L HA 0.553 4.893 4.340 -0.000 0.000 0.265 180 L C -2.076 174.721 176.870 -0.122 0.000 1.089 180 L CA -2.184 52.608 54.840 -0.080 0.000 0.802 180 L CB 0.336 42.359 42.059 -0.059 0.000 1.180 180 L HN -0.059 nan 8.230 nan 0.000 0.454 181 P HA 0.065 nan 4.420 nan 0.000 0.269 181 P C -0.670 176.455 177.300 -0.292 0.000 1.209 181 P CA -0.049 62.938 63.100 -0.190 0.000 0.776 181 P CB 0.658 32.252 31.700 -0.177 0.000 0.876 182 S N 1.830 117.414 115.700 -0.193 0.000 2.601 182 S HA 0.354 4.824 4.470 -0.000 0.000 0.271 182 S C -0.970 173.521 174.600 -0.182 0.000 1.305 182 S CA -0.277 57.838 58.200 -0.142 0.000 1.022 182 S CB -0.088 63.141 63.200 0.050 0.000 0.940 182 S HN 0.168 nan 8.310 nan 0.000 0.525 183 Y N 2.192 122.516 120.300 0.041 0.000 2.328 183 Y HA 0.415 4.965 4.550 -0.000 0.000 0.337 183 Y C 0.783 176.627 175.900 -0.093 0.000 1.008 183 Y CA -0.608 57.495 58.100 0.005 0.000 1.129 183 Y CB 0.772 39.227 38.460 -0.009 0.000 1.185 183 Y HN 0.533 nan 8.280 nan 0.000 0.476 184 R N 4.118 124.614 120.500 -0.007 0.000 2.267 184 R HA 0.223 4.563 4.340 -0.000 0.000 0.319 184 R C 0.207 176.266 176.300 -0.401 0.000 1.067 184 R CA -0.096 55.696 56.100 -0.513 0.000 0.936 184 R CB 0.353 30.200 30.300 -0.756 0.000 1.006 184 R HN 0.757 nan 8.270 nan 0.000 0.452 185 I N 1.898 122.141 120.570 -0.546 0.000 2.585 185 I HA -0.019 4.151 4.170 -0.000 0.000 0.254 185 I C 1.257 177.167 176.117 -0.346 0.000 1.129 185 I CA 0.988 62.066 61.300 -0.372 0.000 1.455 185 I CB -0.444 37.277 38.000 -0.465 0.000 1.111 185 I HN 0.490 nan 8.210 nan 0.000 0.433 186 T N -1.523 112.702 114.554 -0.548 0.000 2.906 186 T HA 0.373 4.723 4.350 -0.000 0.000 0.295 186 T C -1.320 173.120 174.700 -0.432 0.000 1.061 186 T CA -0.343 61.549 62.100 -0.347 0.000 1.000 186 T CB 1.260 69.894 68.868 -0.389 0.000 1.103 186 T HN 0.148 nan 8.240 nan 0.000 0.486 187 W N 1.293 122.477 121.300 -0.193 0.000 2.499 187 W HA 0.250 4.910 4.660 -0.000 0.000 0.362 187 W C 1.702 178.162 176.519 -0.099 0.000 0.945 187 W CA -0.223 57.045 57.345 -0.127 0.000 1.721 187 W CB 0.074 29.483 29.460 -0.086 0.000 1.156 187 W HN 0.790 nan 8.180 nan 0.000 0.547 188 T N -2.929 111.659 114.554 0.056 0.000 3.069 188 T HA 0.321 4.671 4.350 -0.000 0.000 0.252 188 T C 1.156 175.844 174.700 -0.019 0.000 1.053 188 T CA 0.087 62.205 62.100 0.029 0.000 0.964 188 T CB -0.005 68.878 68.868 0.025 0.000 1.005 188 T HN 0.003 nan 8.240 nan 0.000 0.532 189 G N 1.327 110.085 108.800 -0.069 0.000 2.321 189 G HA2 0.369 4.329 3.960 -0.000 0.000 0.237 189 G HA3 0.369 4.329 3.960 -0.000 0.000 0.237 189 G C -0.617 174.216 174.900 -0.112 0.000 1.282 189 G CA -0.395 44.640 45.100 -0.109 0.000 0.886 189 G HN 0.573 nan 8.290 nan 0.000 0.528 190 K N 1.851 122.163 120.400 -0.147 0.000 2.616 190 K HA 0.157 4.477 4.320 -0.000 0.000 0.255 190 K C -0.187 176.291 176.600 -0.203 0.000 0.995 190 K CA -0.640 55.564 56.287 -0.137 0.000 0.860 190 K CB 1.446 33.902 32.500 -0.074 0.000 1.264 190 K HN 0.631 nan 8.250 nan 0.000 0.451 191 E N 3.187 123.273 120.200 -0.190 0.000 2.829 191 E HA -0.180 4.170 4.350 -0.000 0.000 0.264 191 E C -0.520 175.984 176.600 -0.160 0.000 0.922 191 E CA 1.195 57.481 56.400 -0.191 0.000 0.960 191 E CB 0.243 29.870 29.700 -0.122 0.000 0.918 191 E HN 0.652 nan 8.360 nan 0.000 0.497 192 D N 2.578 122.861 120.400 -0.194 0.000 3.018 192 D HA -0.242 4.398 4.640 -0.000 0.000 0.224 192 D C 0.450 176.794 176.300 0.073 0.000 1.185 192 D CA 1.114 55.125 54.000 0.018 0.000 0.858 192 D CB -0.383 40.480 40.800 0.106 0.000 1.112 192 D HN 0.384 nan 8.370 nan 0.000 0.415 193 I N -1.174 119.350 120.570 -0.077 0.000 3.685 193 I HA 0.099 4.269 4.170 -0.000 0.000 0.258 193 I C 0.741 176.940 176.117 0.137 0.000 1.135 193 I CA 0.361 61.709 61.300 0.081 0.000 1.436 193 I CB 0.091 38.112 38.000 0.034 0.000 1.670 193 I HN -0.137 nan 8.210 nan 0.000 0.424 194 I N 1.950 122.510 120.570 -0.016 0.000 2.362 194 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 194 I C -1.226 174.877 176.117 -0.023 0.000 0.994 194 I CA -0.496 60.855 61.300 0.084 0.000 1.158 194 I CB 0.845 38.871 38.000 0.043 0.000 1.315 194 I HN 0.046 nan 8.210 nan 0.000 0.451 195 Y N 4.735 125.114 120.300 0.132 0.000 2.328 195 Y HA 0.406 4.955 4.550 -0.000 0.000 0.336 195 Y C 0.370 176.311 175.900 0.068 0.000 0.960 195 Y CA -0.837 57.340 58.100 0.129 0.000 1.134 195 Y CB 1.117 39.738 38.460 0.268 0.000 1.166 195 Y HN 0.413 nan 8.280 nan 0.000 0.464 196 N N 2.019 120.775 118.700 0.093 0.000 2.417 196 N HA 0.353 5.093 4.740 -0.000 0.000 0.274 196 N C 0.817 176.269 175.510 -0.097 0.000 0.987 196 N CA 0.401 53.445 53.050 -0.010 0.000 0.912 196 N CB 1.909 40.303 38.487 -0.155 0.000 1.177 196 N HN 0.964 nan 8.380 nan 0.000 0.490 197 G N 1.570 110.327 108.800 -0.073 0.000 2.184 197 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 197 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 197 G C 0.112 174.850 174.900 -0.270 0.000 0.975 197 G CA 0.828 45.806 45.100 -0.204 0.000 0.642 197 G HN 0.662 nan 8.290 nan 0.000 0.536 198 I N -1.762 118.728 120.570 -0.133 0.000 2.865 198 I HA 0.780 4.949 4.170 -0.000 0.000 0.302 198 I C 0.319 176.483 176.117 0.078 0.000 1.140 198 I CA -0.699 60.448 61.300 -0.256 0.000 1.021 198 I CB 2.014 39.707 38.000 -0.511 0.000 1.233 198 I HN 0.144 nan 8.210 nan 0.000 0.427 199 T N -0.255 114.277 114.554 -0.037 0.000 2.899 199 T HA 0.371 4.721 4.350 -0.000 0.000 0.284 199 T C -0.178 174.373 174.700 -0.248 0.000 1.004 199 T CA -0.644 61.326 62.100 -0.217 0.000 1.043 199 T CB 1.292 70.082 68.868 -0.129 0.000 1.013 199 T HN 0.767 nan 8.240 nan 0.000 0.518 200 D N 0.128 120.112 120.400 -0.693 0.000 2.478 200 D HA 0.052 4.692 4.640 -0.000 0.000 0.274 200 D C 0.953 177.181 176.300 -0.120 0.000 1.234 200 D CA -1.090 52.507 54.000 -0.672 0.000 1.069 200 D CB 0.062 40.339 40.800 -0.871 0.000 1.113 200 D HN 0.669 nan 8.370 nan 0.000 0.571 201 W N -0.041 121.218 121.300 -0.069 0.000 2.332 201 W HA -0.206 4.454 4.660 -0.000 0.000 0.321 201 W C 2.215 178.627 176.519 -0.179 0.000 1.219 201 W CA 2.451 59.736 57.345 -0.100 0.000 1.277 201 W CB -0.515 28.827 29.460 -0.196 0.000 1.161 201 W HN 0.183 nan 8.180 nan 0.000 0.476 202 V N -0.189 119.753 119.914 0.046 0.000 2.515 202 V HA -0.279 3.840 4.120 -0.000 0.000 0.250 202 V C 1.819 177.727 176.094 -0.310 0.000 1.058 202 V CA 1.927 64.136 62.300 -0.151 0.000 1.064 202 V CB -0.710 31.065 31.823 -0.079 0.000 0.675 202 V HN 0.302 nan 8.190 nan 0.000 0.461 203 Y N 0.554 120.658 120.300 -0.326 0.000 2.314 203 Y HA -0.103 4.446 4.550 -0.000 0.000 0.293 203 Y C 2.569 178.367 175.900 -0.170 0.000 1.129 203 Y CA 1.967 59.897 58.100 -0.284 0.000 1.201 203 Y CB 0.004 38.193 38.460 -0.452 0.000 0.999 203 Y HN 0.382 nan 8.280 nan 0.000 0.541 204 E N 0.312 120.469 120.200 -0.072 0.000 2.047 204 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 204 E C 1.976 178.539 176.600 -0.063 0.000 0.987 204 E CA 1.494 57.886 56.400 -0.012 0.000 0.799 204 E CB 0.055 29.752 29.700 -0.006 0.000 0.752 204 E HN 0.437 nan 8.360 nan 0.000 0.449 205 E N 0.338 120.312 120.200 -0.377 0.000 2.033 205 E HA -0.155 4.195 4.350 -0.000 0.000 0.189 205 E C 1.885 178.366 176.600 -0.198 0.000 0.979 205 E CA 1.541 57.716 56.400 -0.376 0.000 0.802 205 E CB 0.061 29.205 29.700 -0.927 0.000 0.763 205 E HN 0.179 nan 8.360 nan 0.000 0.449 206 E N -0.214 119.832 120.200 -0.257 0.000 2.190 206 E HA -0.010 4.339 4.350 -0.000 0.000 0.191 206 E C 2.011 178.478 176.600 -0.221 0.000 0.978 206 E CA 1.028 57.330 56.400 -0.164 0.000 0.839 206 E CB 0.459 30.059 29.700 -0.166 0.000 0.787 206 E HN 0.323 nan 8.360 nan 0.000 0.473 207 V N -1.364 118.349 119.914 -0.334 0.000 2.806 207 V HA 0.090 4.210 4.120 -0.000 0.000 0.239 207 V C 1.286 177.137 176.094 -0.405 0.000 1.113 207 V CA 0.475 62.502 62.300 -0.455 0.000 1.137 207 V CB -0.153 31.202 31.823 -0.780 0.000 0.865 207 V HN -0.007 nan 8.190 nan 0.000 0.482 208 F N 1.325 121.272 119.950 -0.004 0.000 2.746 208 F HA 0.442 4.969 4.527 -0.000 0.000 0.297 208 F C 1.653 177.417 175.800 -0.059 0.000 1.113 208 F CA 0.582 58.602 58.000 0.034 0.000 1.367 208 F CB -0.163 38.904 39.000 0.113 0.000 1.111 208 F HN 0.177 nan 8.300 nan 0.000 0.590 209 S N 0.476 116.192 115.700 0.028 0.000 3.521 209 S HA -0.021 4.449 4.470 -0.000 0.000 0.362 209 S C 0.080 174.322 174.600 -0.597 0.000 1.044 209 S CA 0.448 58.524 58.200 -0.207 0.000 1.091 209 S CB -1.683 61.444 63.200 -0.121 0.000 0.908 209 S HN 0.638 nan 8.310 nan 0.000 0.473 210 A N -0.647 122.031 122.820 -0.237 0.000 2.608 210 A HA 0.705 5.025 4.320 -0.000 0.000 0.292 210 A C -0.327 177.250 177.584 -0.012 0.000 1.066 210 A CA -0.474 51.447 52.037 -0.194 0.000 0.676 210 A CB 0.336 19.227 19.000 -0.181 0.000 1.277 210 A HN 0.328 nan 8.150 nan 0.000 0.413 211 Y N 1.187 121.345 120.300 -0.238 0.000 2.397 211 Y HA 0.253 4.802 4.550 -0.000 0.000 0.292 211 Y C 1.460 177.083 175.900 -0.462 0.000 1.115 211 Y CA 0.927 58.896 58.100 -0.219 0.000 1.208 211 Y CB 0.025 38.417 38.460 -0.114 0.000 1.046 211 Y HN 0.618 nan 8.280 nan 0.000 0.552 212 S N 0.659 115.817 115.700 -0.903 0.000 2.533 212 S HA 0.450 4.920 4.470 -0.000 0.000 0.282 212 S C 0.350 174.402 174.600 -0.913 0.000 1.304 212 S CA 0.230 57.639 58.200 -1.318 0.000 1.063 212 S CB 0.308 62.293 63.200 -2.024 0.000 0.881 212 S HN 0.427 nan 8.310 nan 0.000 0.493 213 A N 4.714 127.018 122.820 -0.860 0.000 2.795 213 A HA 0.521 4.841 4.320 -0.000 0.000 0.282 213 A C -0.779 176.077 177.584 -1.214 0.000 0.964 213 A CA -0.588 50.908 52.037 -0.901 0.000 1.045 213 A CB -0.356 18.497 19.000 -0.245 0.000 1.174 213 A HN 0.750 nan 8.150 nan 0.000 0.493 214 L N -4.883 115.456 121.223 -1.473 0.000 2.393 214 L HA 0.896 5.236 4.340 -0.000 0.000 0.260 214 L C -1.279 174.979 176.870 -1.021 0.000 1.002 214 L CA -1.334 52.912 54.840 -0.990 0.000 0.818 214 L CB 1.007 42.785 42.059 -0.469 0.000 1.369 214 L HN 0.224 nan 8.230 nan 0.000 0.412 215 W N 1.177 122.508 121.300 0.053 0.000 2.884 215 W HA 0.330 4.990 4.660 -0.000 0.000 0.336 215 W C -1.567 175.125 176.519 0.288 0.000 1.038 215 W CA -0.721 56.766 57.345 0.237 0.000 1.247 215 W CB 1.431 31.111 29.460 0.366 0.000 1.351 215 W HN 0.600 nan 8.180 nan 0.000 0.446 216 W N 2.371 123.845 121.300 0.289 0.000 2.170 216 W HA 0.239 4.899 4.660 -0.000 0.000 0.336 216 W C 1.311 177.600 176.519 -0.383 0.000 1.283 216 W CA 0.398 57.773 57.345 0.049 0.000 1.224 216 W CB 0.754 30.231 29.460 0.029 0.000 1.132 216 W HN 0.181 nan 8.180 nan 0.000 0.571 217 S N 2.191 117.566 115.700 -0.541 0.000 2.608 217 S HA 0.206 4.676 4.470 -0.000 0.000 0.261 217 S C -1.794 172.515 174.600 -0.485 0.000 1.314 217 S CA -0.993 56.309 58.200 -1.496 0.000 0.992 217 S CB 0.893 63.293 63.200 -1.333 0.000 0.935 217 S HN 0.270 nan 8.310 nan 0.000 0.564 218 P HA -0.203 nan 4.420 nan 0.000 0.216 218 P C 1.113 178.385 177.300 -0.047 0.000 1.167 218 P CA 1.882 64.945 63.100 -0.063 0.000 0.914 218 P CB -0.222 31.493 31.700 0.024 0.000 0.793 219 N N -2.064 116.605 118.700 -0.052 0.000 2.422 219 N HA 0.071 4.811 4.740 -0.000 0.000 0.181 219 N C 1.193 176.654 175.510 -0.082 0.000 1.080 219 N CA 1.172 54.194 53.050 -0.048 0.000 0.893 219 N CB -0.736 37.737 38.487 -0.024 0.000 0.973 219 N HN 0.273 nan 8.380 nan 0.000 0.456 220 G N -1.598 107.163 108.800 -0.065 0.000 2.179 220 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 220 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 220 G C 0.926 175.886 174.900 0.100 0.000 0.990 220 G CA 0.453 45.542 45.100 -0.018 0.000 0.646 220 G HN 0.338 nan 8.290 nan 0.000 0.517 221 T N 0.281 114.817 114.554 -0.029 0.000 2.737 221 T HA 0.215 4.565 4.350 -0.000 0.000 0.265 221 T C 0.826 175.379 174.700 -0.245 0.000 1.038 221 T CA 1.264 63.249 62.100 -0.191 0.000 1.144 221 T CB -0.097 68.542 68.868 -0.381 0.000 0.866 221 T HN 0.284 nan 8.240 nan 0.000 0.434 222 F N 0.085 120.071 119.950 0.060 0.000 2.470 222 F HA 0.643 5.170 4.527 -0.000 0.000 0.329 222 F C -0.242 175.601 175.800 0.072 0.000 1.072 222 F CA -1.568 56.497 58.000 0.108 0.000 0.989 222 F CB 1.186 40.346 39.000 0.267 0.000 1.193 222 F HN -0.118 nan 8.300 nan 0.000 0.481 223 L N 2.392 123.751 121.223 0.227 0.000 2.372 223 L HA 0.798 5.138 4.340 -0.000 0.000 0.274 223 L C -0.775 176.175 176.870 0.132 0.000 0.988 223 L CA -0.456 54.324 54.840 -0.100 0.000 0.833 223 L CB 0.926 42.655 42.059 -0.550 0.000 1.236 223 L HN 0.660 nan 8.230 nan 0.000 0.410 224 A N 4.533 127.513 122.820 0.267 0.000 2.303 224 A HA 0.809 5.129 4.320 -0.000 0.000 0.317 224 A C -1.480 176.211 177.584 0.177 0.000 1.149 224 A CA -0.267 51.851 52.037 0.136 0.000 0.822 224 A CB 0.683 19.860 19.000 0.294 0.000 1.131 224 A HN 0.890 nan 8.150 nan 0.000 0.493 225 Y N -1.578 118.524 120.300 -0.330 0.000 2.581 225 Y HA 0.746 5.296 4.550 -0.000 0.000 0.337 225 Y C -0.397 175.352 175.900 -0.252 0.000 1.108 225 Y CA -0.998 56.987 58.100 -0.191 0.000 1.033 225 Y CB 0.824 39.135 38.460 -0.249 0.000 1.318 225 Y HN 0.935 nan 8.280 nan 0.000 0.459 226 A N 2.672 125.515 122.820 0.039 0.000 2.320 226 A HA 0.693 5.013 4.320 -0.000 0.000 0.334 226 A C -1.100 176.301 177.584 -0.305 0.000 1.147 226 A CA -0.832 51.103 52.037 -0.170 0.000 0.820 226 A CB 1.676 20.570 19.000 -0.178 0.000 1.218 226 A HN 0.834 nan 8.150 nan 0.000 0.482 227 Q N 1.117 120.689 119.800 -0.379 0.000 2.337 227 Q HA 0.611 4.951 4.340 -0.000 0.000 0.270 227 Q C -2.053 173.676 176.000 -0.452 0.000 1.043 227 Q CA -0.398 55.276 55.803 -0.215 0.000 0.794 227 Q CB 1.115 29.949 28.738 0.161 0.000 1.281 227 Q HN 0.589 nan 8.270 nan 0.000 0.446 228 F N 2.180 122.212 119.950 0.137 0.000 2.480 228 F HA 0.414 4.941 4.527 -0.000 0.000 0.329 228 F C 0.397 176.334 175.800 0.227 0.000 1.091 228 F CA -0.945 57.111 58.000 0.093 0.000 0.972 228 F CB 1.407 40.351 39.000 -0.093 0.000 1.150 228 F HN 0.444 nan 8.300 nan 0.000 0.467 229 N N 1.857 120.771 118.700 0.357 0.000 2.518 229 N HA 0.200 4.940 4.740 -0.000 0.000 0.254 229 N C -0.817 174.864 175.510 0.286 0.000 0.979 229 N CA -0.277 52.949 53.050 0.292 0.000 0.930 229 N CB 0.816 39.421 38.487 0.198 0.000 1.152 229 N HN 0.527 nan 8.380 nan 0.000 0.505 230 D N 1.391 121.992 120.400 0.336 0.000 2.358 230 D HA 0.119 4.759 4.640 -0.000 0.000 0.224 230 D C 1.184 177.609 176.300 0.208 0.000 1.123 230 D CA 0.194 54.366 54.000 0.287 0.000 0.833 230 D CB 0.495 41.531 40.800 0.393 0.000 0.946 230 D HN 0.469 nan 8.370 nan 0.000 0.505 231 T N 0.102 114.759 114.554 0.171 0.000 2.624 231 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 231 T C 1.377 176.137 174.700 0.101 0.000 1.041 231 T CA 1.279 63.452 62.100 0.120 0.000 1.159 231 T CB -0.029 68.898 68.868 0.099 0.000 0.863 231 T HN 0.275 nan 8.240 nan 0.000 0.434 232 E N 0.419 120.679 120.200 0.100 0.000 2.451 232 E HA 0.186 4.536 4.350 -0.000 0.000 0.194 232 E C -0.627 176.025 176.600 0.087 0.000 1.027 232 E CA -0.250 56.199 56.400 0.081 0.000 0.914 232 E CB 0.559 30.298 29.700 0.066 0.000 1.054 232 E HN 0.199 nan 8.360 nan 0.000 0.461 233 V N 3.261 123.241 119.914 0.111 0.000 2.508 233 V HA 0.104 4.224 4.120 -0.000 0.000 0.281 233 V C -1.971 174.183 176.094 0.100 0.000 1.041 233 V CA -1.440 60.930 62.300 0.116 0.000 1.016 233 V CB 0.495 32.407 31.823 0.147 0.000 0.984 233 V HN 0.084 nan 8.190 nan 0.000 0.478 234 P HA 0.269 nan 4.420 nan 0.000 0.271 234 P C -0.799 176.537 177.300 0.059 0.000 1.233 234 P CA -0.247 62.889 63.100 0.061 0.000 0.789 234 P CB 0.501 32.233 31.700 0.054 0.000 0.951 235 L N 1.439 122.672 121.223 0.018 0.000 2.325 235 L HA 0.492 4.831 4.340 -0.000 0.000 0.278 235 L C 0.093 176.909 176.870 -0.091 0.000 1.023 235 L CA -0.989 53.844 54.840 -0.012 0.000 0.811 235 L CB 1.204 43.252 42.059 -0.018 0.000 1.249 235 L HN 0.260 nan 8.230 nan 0.000 0.431 236 I N 2.266 122.736 120.570 -0.167 0.000 2.342 236 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 236 I C -0.384 175.582 176.117 -0.252 0.000 1.010 236 I CA 0.020 61.117 61.300 -0.338 0.000 1.308 236 I CB 0.836 38.377 38.000 -0.764 0.000 1.400 236 I HN 0.563 nan 8.210 nan 0.000 0.488 237 E N 7.867 127.940 120.200 -0.212 0.000 2.210 237 E HA 0.510 4.860 4.350 -0.000 0.000 0.266 237 E C -1.740 174.799 176.600 -0.102 0.000 0.883 237 E CA -0.592 55.687 56.400 -0.203 0.000 0.761 237 E CB 1.939 31.548 29.700 -0.153 0.000 1.156 237 E HN 0.577 nan 8.360 nan 0.000 0.412 238 Y N -1.636 118.584 120.300 -0.134 0.000 2.581 238 Y HA 0.535 5.085 4.550 -0.000 0.000 0.337 238 Y C -0.644 175.198 175.900 -0.097 0.000 1.108 238 Y CA -1.265 56.766 58.100 -0.114 0.000 1.033 238 Y CB 0.873 39.278 38.460 -0.092 0.000 1.318 238 Y HN 0.206 nan 8.280 nan 0.000 0.459 239 S N 1.910 117.619 115.700 0.016 0.000 2.601 239 S HA 0.510 4.980 4.470 -0.000 0.000 0.271 239 S C -1.421 173.083 174.600 -0.159 0.000 1.305 239 S CA -0.350 57.723 58.200 -0.211 0.000 1.022 239 S CB 0.578 63.495 63.200 -0.471 0.000 0.940 239 S HN 0.540 nan 8.310 nan 0.000 0.525 240 F N 1.789 121.492 119.950 -0.413 0.000 2.536 240 F HA 0.428 4.955 4.527 -0.000 0.000 0.322 240 F C -0.453 175.131 175.800 -0.360 0.000 1.144 240 F CA -0.889 56.976 58.000 -0.224 0.000 0.924 240 F CB 0.895 39.874 39.000 -0.035 0.000 1.181 240 F HN 0.631 nan 8.300 nan 0.000 0.438 241 Y N 2.630 122.767 120.300 -0.270 0.000 2.490 241 Y HA 0.165 4.715 4.550 -0.000 0.000 0.285 241 Y C 1.636 177.486 175.900 -0.084 0.000 1.117 241 Y CA 0.897 58.913 58.100 -0.139 0.000 1.262 241 Y CB -0.625 37.736 38.460 -0.165 0.000 1.043 241 Y HN 0.711 nan 8.280 nan 0.000 0.553 242 S N -0.067 115.590 115.700 -0.071 0.000 3.381 242 S HA -0.222 4.248 4.470 -0.000 0.000 0.636 242 S C -0.402 174.245 174.600 0.078 0.000 2.614 242 S CA 0.287 58.557 58.200 0.117 0.000 2.810 242 S CB -1.050 62.306 63.200 0.260 0.000 0.331 242 S HN 0.488 nan 8.310 nan 0.000 1.788 243 D N 1.448 121.909 120.400 0.101 0.000 2.390 243 D HA 0.092 4.732 4.640 -0.000 0.000 0.236 243 D C 1.419 177.751 176.300 0.053 0.000 1.189 243 D CA 0.370 54.410 54.000 0.068 0.000 0.887 243 D CB 0.072 40.914 40.800 0.069 0.000 1.198 243 D HN 0.640 nan 8.370 nan 0.000 0.444 244 E N 0.328 120.548 120.200 0.033 0.000 2.171 244 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 244 E C 1.670 178.284 176.600 0.023 0.000 0.997 244 E CA 1.364 57.775 56.400 0.020 0.000 0.810 244 E CB 0.134 29.840 29.700 0.009 0.000 0.738 244 E HN 0.464 nan 8.360 nan 0.000 0.467 245 S N 0.132 115.852 115.700 0.033 0.000 2.447 245 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 245 S C 1.161 175.787 174.600 0.044 0.000 1.006 245 S CA 0.023 58.243 58.200 0.033 0.000 0.957 245 S CB -0.214 63.008 63.200 0.036 0.000 0.773 245 S HN 0.248 nan 8.310 nan 0.000 0.507 246 L N 2.358 123.616 121.223 0.059 0.000 2.500 246 L HA 0.107 4.447 4.340 -0.000 0.000 0.272 246 L C 1.608 178.514 176.870 0.060 0.000 1.149 246 L CA 0.044 54.930 54.840 0.077 0.000 0.897 246 L CB 0.773 42.891 42.059 0.099 0.000 1.178 246 L HN 0.428 nan 8.230 nan 0.000 0.473 247 Q N 3.894 123.736 119.800 0.070 0.000 2.123 247 Q HA -0.087 4.253 4.340 -0.000 0.000 0.199 247 Q C -0.637 175.289 176.000 -0.123 0.000 0.966 247 Q CA 1.273 57.069 55.803 -0.012 0.000 0.845 247 Q CB 0.255 29.019 28.738 0.043 0.000 0.907 247 Q HN 0.591 nan 8.270 nan 0.000 0.439 248 Y N 0.325 120.636 120.300 0.019 0.000 2.341 248 Y HA 0.376 4.926 4.550 -0.000 0.000 0.338 248 Y C -2.097 173.806 175.900 0.004 0.000 0.965 248 Y CA -2.919 55.187 58.100 0.010 0.000 1.108 248 Y CB 1.419 39.877 38.460 -0.003 0.000 1.180 248 Y HN 0.098 nan 8.280 nan 0.000 0.458 249 P HA 0.038 nan 4.420 nan 0.000 0.267 249 P C -0.964 176.329 177.300 -0.011 0.000 1.200 249 P CA -0.340 62.752 63.100 -0.012 0.000 0.772 249 P CB 0.512 32.136 31.700 -0.126 0.000 0.855 250 K N 0.228 120.607 120.400 -0.034 0.000 2.118 250 K HA 0.571 4.891 4.320 -0.000 0.000 0.254 250 K C -0.831 175.719 176.600 -0.084 0.000 0.961 250 K CA -0.676 55.596 56.287 -0.026 0.000 0.876 250 K CB 0.728 33.236 32.500 0.013 0.000 1.077 250 K HN 0.181 nan 8.250 nan 0.000 0.440 251 T N 1.821 116.313 114.554 -0.103 0.000 2.749 251 T HA 0.228 4.578 4.350 -0.000 0.000 0.287 251 T C -0.276 174.298 174.700 -0.211 0.000 0.970 251 T CA -0.706 61.299 62.100 -0.158 0.000 0.980 251 T CB 1.048 69.837 68.868 -0.132 0.000 0.924 251 T HN 0.366 nan 8.240 nan 0.000 0.456 252 V N 5.930 125.624 119.914 -0.366 0.000 2.465 252 V HA 0.540 4.660 4.120 -0.000 0.000 0.279 252 V C 0.356 176.164 176.094 -0.477 0.000 1.045 252 V CA -0.749 61.276 62.300 -0.458 0.000 0.938 252 V CB 0.691 32.075 31.823 -0.733 0.000 0.986 252 V HN 0.811 nan 8.190 nan 0.000 0.467 253 R N 4.218 124.569 120.500 -0.248 0.000 2.502 253 R HA 0.762 5.102 4.340 -0.000 0.000 0.298 253 R C -1.603 174.673 176.300 -0.041 0.000 1.018 253 R CA -0.524 55.475 56.100 -0.169 0.000 0.899 253 R CB 1.670 31.898 30.300 -0.120 0.000 1.181 253 R HN 0.517 nan 8.270 nan 0.000 0.444 254 V N 1.333 121.236 119.914 -0.019 0.000 2.823 254 V HA 0.624 4.744 4.120 -0.000 0.000 0.312 254 V C -2.791 173.358 176.094 0.092 0.000 1.072 254 V CA -2.597 59.767 62.300 0.107 0.000 0.937 254 V CB 2.606 34.552 31.823 0.204 0.000 1.013 254 V HN 0.594 nan 8.190 nan 0.000 0.430 255 P HA 0.251 nan 4.420 nan 0.000 0.270 255 P C -1.809 175.610 177.300 0.198 0.000 1.242 255 P CA 0.568 63.778 63.100 0.184 0.000 0.768 255 P CB -0.253 31.596 31.700 0.249 0.000 0.820 256 Y N 6.531 126.816 120.300 -0.025 0.000 2.307 256 Y HA 0.377 4.927 4.550 -0.000 0.000 0.323 256 Y C -2.728 173.158 175.900 -0.022 0.000 1.100 256 Y CA -2.938 55.106 58.100 -0.094 0.000 1.140 256 Y CB 1.792 40.065 38.460 -0.312 0.000 1.159 256 Y HN 0.284 nan 8.280 nan 0.000 0.436 257 P HA 0.234 nan 4.420 nan 0.000 0.284 257 P C -0.957 176.447 177.300 0.174 0.000 1.343 257 P CA -0.186 62.996 63.100 0.137 0.000 0.826 257 P CB 1.087 32.838 31.700 0.084 0.000 0.956 258 K N 2.147 122.708 120.400 0.270 0.000 2.138 258 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 258 K C 0.623 177.339 176.600 0.194 0.000 1.015 258 K CA -0.662 55.793 56.287 0.281 0.000 0.917 258 K CB 0.585 33.239 32.500 0.258 0.000 1.021 258 K HN 0.449 nan 8.250 nan 0.000 0.485 259 A N 1.040 123.996 122.820 0.227 0.000 2.591 259 A HA 0.195 4.515 4.320 -0.000 0.000 0.244 259 A C 1.285 178.914 177.584 0.075 0.000 1.031 259 A CA 1.152 53.304 52.037 0.192 0.000 0.767 259 A CB -1.222 17.963 19.000 0.307 0.000 0.942 259 A HN 0.943 nan 8.150 nan 0.000 0.514 260 G N 1.007 109.840 108.800 0.055 0.000 2.234 260 G HA2 0.093 4.053 3.960 -0.000 0.000 0.260 260 G HA3 0.093 4.053 3.960 -0.000 0.000 0.260 260 G C 0.733 175.650 174.900 0.029 0.000 0.987 260 G CA 0.880 45.985 45.100 0.008 0.000 0.625 260 G HN 2.253 nan 8.290 nan 0.000 0.532 261 A N -0.230 122.626 122.820 0.059 0.000 2.280 261 A HA 0.731 5.051 4.320 -0.000 0.000 0.268 261 A C 0.888 178.510 177.584 0.064 0.000 1.111 261 A CA 0.344 52.418 52.037 0.063 0.000 0.814 261 A CB 0.600 19.651 19.000 0.086 0.000 1.093 261 A HN 1.179 nan 8.150 nan 0.000 0.498 262 V N 2.278 122.230 119.914 0.062 0.000 2.529 262 V HA 0.017 4.136 4.120 -0.000 0.000 0.292 262 V C 0.385 176.530 176.094 0.085 0.000 1.028 262 V CA 0.021 62.359 62.300 0.063 0.000 1.074 262 V CB -0.207 31.652 31.823 0.061 0.000 0.958 262 V HN 0.802 nan 8.190 nan 0.000 0.481 263 N N 6.133 124.883 118.700 0.082 0.000 2.476 263 N HA 0.493 5.233 4.740 -0.000 0.000 0.275 263 N C -2.375 173.220 175.510 0.141 0.000 1.190 263 N CA -1.478 51.643 53.050 0.118 0.000 0.977 263 N CB 1.124 39.674 38.487 0.106 0.000 1.200 263 N HN 0.417 nan 8.380 nan 0.000 0.515 264 P HA 0.155 nan 4.420 nan 0.000 0.277 264 P C -0.547 176.902 177.300 0.248 0.000 1.240 264 P CA -0.248 62.995 63.100 0.240 0.000 0.798 264 P CB 0.580 32.452 31.700 0.286 0.000 0.979 265 T N -1.382 113.297 114.554 0.208 0.000 2.936 265 T HA 0.598 4.948 4.350 -0.000 0.000 0.282 265 T C -0.187 174.641 174.700 0.213 0.000 1.003 265 T CA -0.819 61.369 62.100 0.147 0.000 1.005 265 T CB 1.408 70.328 68.868 0.088 0.000 1.097 265 T HN 0.359 nan 8.240 nan 0.000 0.532 266 V N 0.071 120.080 119.914 0.157 0.000 2.971 266 V HA 0.708 4.827 4.120 -0.000 0.000 0.309 266 V C -1.696 174.478 176.094 0.132 0.000 1.130 266 V CA -0.871 61.498 62.300 0.115 0.000 0.964 266 V CB 2.136 34.071 31.823 0.187 0.000 1.029 266 V HN 1.047 nan 8.190 nan 0.000 0.427 267 K N 4.554 124.965 120.400 0.019 0.000 2.435 267 K HA 0.585 4.905 4.320 -0.000 0.000 0.251 267 K C -1.821 174.682 176.600 -0.161 0.000 0.954 267 K CA -0.513 55.750 56.287 -0.040 0.000 0.820 267 K CB 2.783 35.236 32.500 -0.079 0.000 1.292 267 K HN 0.541 nan 8.250 nan 0.000 0.436 268 F N 1.958 121.614 119.950 -0.489 0.000 2.480 268 F HA 0.591 5.118 4.527 -0.000 0.000 0.329 268 F C -1.236 173.968 175.800 -0.993 0.000 1.091 268 F CA -0.721 56.952 58.000 -0.545 0.000 0.972 268 F CB 0.833 39.642 39.000 -0.319 0.000 1.150 268 F HN 0.394 nan 8.300 nan 0.000 0.467 269 F N 2.974 122.147 119.950 -1.296 0.000 2.629 269 F HA 0.774 5.301 4.527 -0.000 0.000 0.316 269 F C -1.037 174.121 175.800 -1.070 0.000 1.081 269 F CA -1.125 56.234 58.000 -1.069 0.000 0.954 269 F CB 2.131 40.352 39.000 -1.299 0.000 1.337 269 F HN 0.139 nan 8.300 nan 0.000 0.474 270 V N 2.024 121.741 119.914 -0.328 0.000 2.777 270 V HA 0.636 4.756 4.120 -0.000 0.000 0.306 270 V C -1.424 174.770 176.094 0.166 0.000 1.112 270 V CA -0.792 61.396 62.300 -0.188 0.000 0.917 270 V CB 2.032 33.504 31.823 -0.585 0.000 1.018 270 V HN 0.619 nan 8.190 nan 0.000 0.426 271 V N 4.227 124.312 119.914 0.285 0.000 2.709 271 V HA 0.554 4.674 4.120 -0.000 0.000 0.308 271 V C -0.351 175.959 176.094 0.361 0.000 1.062 271 V CA -0.573 61.909 62.300 0.303 0.000 0.901 271 V CB 2.049 33.973 31.823 0.168 0.000 1.003 271 V HN 1.009 nan 8.190 nan 0.000 0.425 272 N N 3.282 122.153 118.700 0.285 0.000 2.415 272 N HA 0.140 4.880 4.740 -0.000 0.000 0.246 272 N C 1.188 176.667 175.510 -0.052 0.000 1.078 272 N CA 0.343 53.395 53.050 0.004 0.000 0.942 272 N CB 1.192 39.640 38.487 -0.065 0.000 1.140 272 N HN 0.913 nan 8.380 nan 0.000 0.501 273 T N 0.069 114.596 114.554 -0.046 0.000 3.113 273 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 273 T C 0.563 175.237 174.700 -0.044 0.000 1.143 273 T CA 0.713 62.811 62.100 -0.003 0.000 1.090 273 T CB 0.065 69.037 68.868 0.173 0.000 0.922 273 T HN 0.426 nan 8.240 nan 0.000 0.521 274 D N 1.599 121.941 120.400 -0.096 0.000 2.354 274 D HA 0.071 4.711 4.640 -0.000 0.000 0.209 274 D C 1.555 177.806 176.300 -0.081 0.000 1.015 274 D CA 0.647 54.598 54.000 -0.083 0.000 0.867 274 D CB 0.215 40.950 40.800 -0.109 0.000 0.933 274 D HN 0.654 nan 8.370 nan 0.000 0.520 275 S N 0.363 116.006 115.700 -0.094 0.000 2.602 275 S HA 0.171 4.641 4.470 -0.000 0.000 0.240 275 S C 0.810 175.339 174.600 -0.118 0.000 0.992 275 S CA -0.651 57.505 58.200 -0.073 0.000 0.971 275 S CB -0.292 62.892 63.200 -0.026 0.000 0.855 275 S HN 0.151 nan 8.310 nan 0.000 0.481 276 L N 0.658 121.738 121.223 -0.240 0.000 2.350 276 L HA 0.652 4.992 4.340 -0.000 0.000 0.275 276 L C 0.784 177.408 176.870 -0.409 0.000 1.099 276 L CA -0.460 54.127 54.840 -0.421 0.000 0.808 276 L CB 0.782 42.359 42.059 -0.804 0.000 1.149 276 L HN 0.252 nan 8.230 nan 0.000 0.442 277 S N 1.861 117.434 115.700 -0.212 0.000 2.650 277 S HA 0.181 4.650 4.470 -0.000 0.000 0.182 277 S C 0.981 175.741 174.600 0.266 0.000 0.832 277 S CA 0.779 58.987 58.200 0.013 0.000 0.860 277 S CB 0.121 63.345 63.200 0.039 0.000 0.818 277 S HN 1.142 nan 8.310 nan 0.000 0.600 278 S N -1.364 114.488 115.700 0.254 0.000 4.424 278 S HA -0.055 4.415 4.470 -0.000 0.000 0.062 278 S C 0.891 175.603 174.600 0.188 0.000 0.840 278 S CA 0.341 58.735 58.200 0.324 0.000 1.089 278 S CB -1.216 62.146 63.200 0.270 0.000 0.540 278 S HN 0.521 nan 8.310 nan 0.000 0.778 279 V N 2.151 122.144 119.914 0.131 0.000 2.490 279 V HA 0.290 4.409 4.120 -0.000 0.000 0.238 279 V C 1.151 177.290 176.094 0.076 0.000 1.056 279 V CA 1.538 63.892 62.300 0.090 0.000 1.075 279 V CB -0.579 31.283 31.823 0.064 0.000 0.746 279 V HN 0.559 nan 8.190 nan 0.000 0.479 280 T N 2.716 117.307 114.554 0.062 0.000 2.761 280 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 280 T C 0.084 174.819 174.700 0.057 0.000 0.934 280 T CA -0.269 61.856 62.100 0.042 0.000 1.091 280 T CB -0.019 68.864 68.868 0.026 0.000 0.896 280 T HN 0.273 nan 8.240 nan 0.000 0.515 281 N N 2.318 121.053 118.700 0.057 0.000 2.407 281 N HA 0.203 4.943 4.740 -0.000 0.000 0.250 281 N C 0.351 175.903 175.510 0.069 0.000 1.236 281 N CA -0.143 52.968 53.050 0.102 0.000 0.879 281 N CB 0.412 38.931 38.487 0.054 0.000 1.088 281 N HN 0.775 nan 8.380 nan 0.000 0.450 282 A N 1.743 124.609 122.820 0.076 0.000 2.520 282 A HA 0.185 4.505 4.320 -0.000 0.000 0.235 282 A C 0.335 177.948 177.584 0.047 0.000 1.065 282 A CA 0.258 52.310 52.037 0.025 0.000 0.764 282 A CB 0.007 19.000 19.000 -0.012 0.000 1.002 282 A HN 0.546 nan 8.150 nan 0.000 0.502 283 T N 2.461 117.049 114.554 0.057 0.000 2.758 283 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 283 T C -0.066 174.712 174.700 0.129 0.000 0.981 283 T CA -0.030 62.123 62.100 0.087 0.000 0.965 283 T CB 0.769 69.696 68.868 0.099 0.000 0.927 283 T HN 0.539 nan 8.240 nan 0.000 0.448 284 S N 3.977 119.755 115.700 0.131 0.000 2.433 284 S HA 0.440 4.910 4.470 -0.000 0.000 0.310 284 S C 0.081 174.849 174.600 0.280 0.000 1.097 284 S CA -0.793 57.523 58.200 0.192 0.000 1.103 284 S CB 0.294 63.554 63.200 0.101 0.000 0.992 284 S HN 0.472 nan 8.310 nan 0.000 0.469 285 I N 3.410 124.152 120.570 0.287 0.000 2.371 285 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 285 I C 0.613 176.834 176.117 0.174 0.000 1.028 285 I CA -0.149 61.318 61.300 0.277 0.000 1.345 285 I CB 0.663 38.903 38.000 0.400 0.000 1.407 285 I HN 0.642 nan 8.210 nan 0.000 0.501 286 Q N 6.315 126.176 119.800 0.101 0.000 2.278 286 Q HA 0.482 4.822 4.340 -0.000 0.000 0.257 286 Q C -1.006 174.914 176.000 -0.133 0.000 0.928 286 Q CA -0.562 55.097 55.803 -0.240 0.000 0.932 286 Q CB 1.382 29.909 28.738 -0.351 0.000 1.221 286 Q HN 0.548 nan 8.270 nan 0.000 0.434 287 I N 4.551 125.035 120.570 -0.144 0.000 2.307 287 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 287 I C 0.902 177.017 176.117 -0.004 0.000 1.021 287 I CA -0.295 61.002 61.300 -0.004 0.000 1.224 287 I CB 1.217 39.257 38.000 0.067 0.000 1.376 287 I HN 0.759 nan 8.210 nan 0.000 0.470 288 T N 3.396 117.915 114.554 -0.059 0.000 3.070 288 T HA 0.789 5.139 4.350 -0.000 0.000 0.295 288 T C 0.793 175.333 174.700 -0.266 0.000 1.221 288 T CA 0.211 62.229 62.100 -0.137 0.000 0.926 288 T CB 0.754 69.538 68.868 -0.139 0.000 2.158 288 T HN 0.871 nan 8.240 nan 0.000 0.573 289 A N 0.859 123.455 122.820 -0.372 0.000 6.319 289 A HA -0.012 4.307 4.320 -0.000 0.000 0.281 289 A C -2.577 174.448 177.584 -0.932 0.000 2.002 289 A CA 0.184 51.928 52.037 -0.489 0.000 0.752 289 A CB -2.756 16.069 19.000 -0.293 0.000 1.139 289 A HN 0.856 nan 8.150 nan 0.000 0.391 290 P HA 0.489 nan 4.420 nan 0.000 0.276 290 P C 0.907 177.984 177.300 -0.373 0.000 1.244 290 P CA 0.521 63.370 63.100 -0.418 0.000 0.801 290 P CB 0.779 32.308 31.700 -0.284 0.000 1.006 291 A N 1.704 124.379 122.820 -0.241 0.000 1.940 291 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 291 A C 2.038 179.503 177.584 -0.197 0.000 1.176 291 A CA 2.366 54.281 52.037 -0.202 0.000 0.631 291 A CB -1.872 17.045 19.000 -0.138 0.000 0.814 291 A HN 0.612 nan 8.150 nan 0.000 0.446 292 S N -1.777 113.825 115.700 -0.164 0.000 2.469 292 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 292 S C 1.667 176.159 174.600 -0.181 0.000 0.998 292 S CA 1.667 59.778 58.200 -0.149 0.000 0.957 292 S CB -0.245 62.913 63.200 -0.070 0.000 0.764 292 S HN 0.434 nan 8.310 nan 0.000 0.514 293 M N 0.658 120.104 119.600 -0.257 0.000 2.657 293 M HA 0.462 4.941 4.480 -0.000 0.000 0.262 293 M C 1.607 177.603 176.300 -0.508 0.000 1.213 293 M CA 0.815 55.905 55.300 -0.351 0.000 1.182 293 M CB -0.152 32.146 32.600 -0.504 0.000 1.303 293 M HN 0.215 nan 8.290 nan 0.000 0.501 294 L N 0.646 121.563 121.223 -0.510 0.000 2.353 294 L HA -0.128 4.212 4.340 -0.000 0.000 0.220 294 L C 2.088 178.849 176.870 -0.182 0.000 1.133 294 L CA 0.765 55.372 54.840 -0.388 0.000 0.798 294 L CB -1.025 40.848 42.059 -0.310 0.000 0.922 294 L HN 0.437 nan 8.230 nan 0.000 0.445 295 I N -2.427 118.045 120.570 -0.164 0.000 2.700 295 I HA 0.043 4.213 4.170 -0.000 0.000 0.261 295 I C 1.033 177.113 176.117 -0.062 0.000 1.219 295 I CA 0.807 62.045 61.300 -0.104 0.000 1.463 295 I CB -0.582 37.351 38.000 -0.112 0.000 1.092 295 I HN 0.132 nan 8.210 nan 0.000 0.452 296 G N -0.013 108.766 108.800 -0.035 0.000 2.554 296 G HA2 0.230 4.190 3.960 -0.000 0.000 0.306 296 G HA3 0.230 4.190 3.960 -0.000 0.000 0.306 296 G C -1.840 173.119 174.900 0.097 0.000 1.320 296 G CA -0.662 44.443 45.100 0.009 0.000 0.800 296 G HN 0.044 nan 8.290 nan 0.000 0.481 297 D N 1.402 121.816 120.400 0.023 0.000 2.525 297 D HA 0.400 5.040 4.640 -0.000 0.000 0.235 297 D C 0.536 176.796 176.300 -0.065 0.000 1.137 297 D CA 0.954 54.919 54.000 -0.058 0.000 0.868 297 D CB 0.277 41.001 40.800 -0.128 0.000 1.180 297 D HN 0.557 nan 8.370 nan 0.000 0.465 298 H N -0.547 118.375 119.070 -0.247 0.000 2.933 298 H HA 0.500 5.056 4.556 -0.000 0.000 0.310 298 H C -1.321 173.879 175.328 -0.214 0.000 1.351 298 H CA -0.824 55.085 56.048 -0.232 0.000 1.137 298 H CB 0.394 30.155 29.762 -0.003 0.000 1.853 298 H HN 0.332 nan 8.280 nan 0.000 0.539 299 Y N -0.244 120.272 120.300 0.359 0.000 2.588 299 Y HA 0.422 4.972 4.550 -0.000 0.000 0.343 299 Y C -0.653 175.504 175.900 0.429 0.000 1.065 299 Y CA -1.121 57.189 58.100 0.350 0.000 1.038 299 Y CB 2.011 40.517 38.460 0.076 0.000 1.297 299 Y HN 0.495 nan 8.280 nan 0.000 0.467 300 L N 2.773 124.325 121.223 0.549 0.000 2.257 300 L HA 0.465 4.805 4.340 -0.000 0.000 0.290 300 L C 0.286 177.206 176.870 0.083 0.000 1.044 300 L CA -0.327 54.523 54.840 0.017 0.000 0.810 300 L CB 0.495 42.491 42.059 -0.105 0.000 1.193 300 L HN 0.983 nan 8.230 nan 0.000 0.425 301 C N 1.216 120.427 119.300 -0.149 0.000 3.228 301 C HA 0.540 5.000 4.460 -0.000 0.000 0.290 301 C C 0.171 174.996 174.990 -0.274 0.000 1.301 301 C CA -0.419 58.413 59.018 -0.309 0.000 1.703 301 C CB -0.786 26.836 27.740 -0.196 0.000 2.141 301 C HN 0.854 nan 8.230 nan 0.000 0.656 302 D N 0.023 120.304 120.400 -0.198 0.000 2.747 302 D HA 0.307 4.946 4.640 -0.000 0.000 0.218 302 D C -1.842 174.201 176.300 -0.428 0.000 1.230 302 D CA 0.115 54.015 54.000 -0.165 0.000 0.774 302 D CB 2.378 43.076 40.800 -0.170 0.000 1.667 302 D HN 0.258 nan 8.370 nan 0.000 0.499 303 V N 2.040 121.621 119.914 -0.555 0.000 2.623 303 V HA 0.801 4.921 4.120 -0.000 0.000 0.304 303 V C -1.532 174.177 176.094 -0.642 0.000 1.054 303 V CA 0.103 61.885 62.300 -0.863 0.000 0.882 303 V CB 1.874 32.832 31.823 -1.442 0.000 1.002 303 V HN 0.604 nan 8.190 nan 0.000 0.424 304 T N 6.351 120.610 114.554 -0.492 0.000 3.011 304 T HA 0.411 4.761 4.350 -0.000 0.000 0.303 304 T C -1.129 173.399 174.700 -0.287 0.000 0.997 304 T CA -0.143 61.811 62.100 -0.243 0.000 1.007 304 T CB 1.010 69.822 68.868 -0.093 0.000 1.017 304 T HN 0.754 nan 8.240 nan 0.000 0.443 305 W N 2.328 123.537 121.300 -0.152 0.000 2.303 305 W HA 0.471 5.131 4.660 -0.000 0.000 0.318 305 W C 1.174 177.510 176.519 -0.305 0.000 1.362 305 W CA -0.389 56.859 57.345 -0.162 0.000 1.234 305 W CB 0.526 29.989 29.460 0.005 0.000 1.248 305 W HN 0.880 nan 8.180 nan 0.000 0.546 306 A N 2.480 125.094 122.820 -0.343 0.000 1.911 306 A HA 0.163 4.483 4.320 -0.000 0.000 0.212 306 A C 0.982 178.492 177.584 -0.124 0.000 1.189 306 A CA 1.688 53.277 52.037 -0.746 0.000 0.639 306 A CB -0.331 17.915 19.000 -1.256 0.000 0.839 306 A HN 0.549 nan 8.150 nan 0.000 0.449 307 T N -5.989 108.623 114.554 0.096 0.000 2.626 307 T HA 0.310 4.660 4.350 -0.000 0.000 0.299 307 T C 0.092 174.980 174.700 0.312 0.000 1.181 307 T CA -0.352 61.859 62.100 0.185 0.000 1.053 307 T CB 0.491 69.452 68.868 0.155 0.000 1.566 307 T HN -0.063 nan 8.240 nan 0.000 0.486 308 Q N 0.374 120.322 119.800 0.246 0.000 2.291 308 Q HA 0.056 4.396 4.340 -0.000 0.000 0.205 308 Q C 0.819 177.092 176.000 0.455 0.000 0.970 308 Q CA 1.430 57.389 55.803 0.260 0.000 0.876 308 Q CB -0.107 28.742 28.738 0.185 0.000 0.935 308 Q HN 0.811 nan 8.270 nan 0.000 0.455 309 E N -0.245 120.212 120.200 0.428 0.000 2.758 309 E HA 0.198 4.548 4.350 -0.000 0.000 0.215 309 E C -0.223 176.627 176.600 0.416 0.000 0.985 309 E CA -0.161 56.495 56.400 0.426 0.000 1.102 309 E CB 1.088 30.955 29.700 0.278 0.000 1.042 309 E HN -0.050 nan 8.360 nan 0.000 0.480 310 R N 1.619 122.381 120.500 0.436 0.000 2.538 310 R HA 0.524 4.864 4.340 -0.000 0.000 0.292 310 R C -1.683 174.620 176.300 0.004 0.000 1.008 310 R CA -0.460 55.770 56.100 0.217 0.000 0.896 310 R CB 1.372 31.710 30.300 0.064 0.000 1.187 310 R HN 0.089 nan 8.270 nan 0.000 0.440 311 I N 2.668 123.075 120.570 -0.271 0.000 2.689 311 I HA 0.407 4.577 4.170 -0.000 0.000 0.299 311 I C -0.882 174.908 176.117 -0.546 0.000 1.059 311 I CA -0.534 60.322 61.300 -0.740 0.000 1.055 311 I CB 2.294 39.434 38.000 -1.432 0.000 1.243 311 I HN 0.787 nan 8.210 nan 0.000 0.425 312 S N 7.331 122.691 115.700 -0.566 0.000 2.478 312 S HA 0.736 5.206 4.470 -0.000 0.000 0.312 312 S C -1.163 173.122 174.600 -0.525 0.000 1.094 312 S CA -0.703 57.255 58.200 -0.404 0.000 1.081 312 S CB 1.490 64.570 63.200 -0.199 0.000 1.007 312 S HN 0.393 nan 8.310 nan 0.000 0.475 313 L N 2.823 123.743 121.223 -0.504 0.000 2.341 313 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 313 L C -0.006 176.557 176.870 -0.512 0.000 1.005 313 L CA -0.183 54.243 54.840 -0.689 0.000 0.818 313 L CB 1.807 43.351 42.059 -0.858 0.000 1.259 313 L HN 0.771 nan 8.230 nan 0.000 0.418 314 Q N 2.015 121.474 119.800 -0.569 0.000 2.322 314 Q HA 0.454 4.793 4.340 -0.000 0.000 0.265 314 Q C -1.607 174.168 176.000 -0.375 0.000 0.985 314 Q CA -0.486 55.116 55.803 -0.335 0.000 0.849 314 Q CB 1.955 30.547 28.738 -0.244 0.000 1.274 314 Q HN 0.509 nan 8.270 nan 0.000 0.449 315 W N 2.517 123.774 121.300 -0.071 0.000 2.639 315 W HA 0.631 5.291 4.660 -0.000 0.000 0.347 315 W C -0.770 175.783 176.519 0.058 0.000 1.067 315 W CA -0.652 56.703 57.345 0.018 0.000 1.218 315 W CB 1.071 30.532 29.460 0.001 0.000 1.393 315 W HN 0.384 nan 8.180 nan 0.000 0.557 316 L N 2.006 123.468 121.223 0.398 0.000 2.422 316 L HA 0.595 4.935 4.340 -0.000 0.000 0.264 316 L C -0.297 176.768 176.870 0.325 0.000 0.984 316 L CA -1.254 53.772 54.840 0.310 0.000 0.819 316 L CB 1.611 43.827 42.059 0.261 0.000 1.330 316 L HN 0.432 nan 8.230 nan 0.000 0.410 317 R N 1.889 122.540 120.500 0.251 0.000 2.615 317 R HA 0.325 4.665 4.340 -0.000 0.000 0.270 317 R C 0.929 177.281 176.300 0.087 0.000 1.081 317 R CA -0.290 55.898 56.100 0.147 0.000 1.154 317 R CB 0.655 31.025 30.300 0.117 0.000 1.063 317 R HN 0.648 nan 8.270 nan 0.000 0.519 318 R N 1.029 121.489 120.500 -0.067 0.000 2.159 318 R HA -0.057 4.283 4.340 -0.000 0.000 0.237 318 R C 0.302 176.653 176.300 0.085 0.000 1.131 318 R CA 1.127 57.173 56.100 -0.090 0.000 0.982 318 R CB 0.200 30.413 30.300 -0.144 0.000 0.868 318 R HN 0.371 nan 8.270 nan 0.000 0.453 319 I N 2.759 123.367 120.570 0.062 0.000 2.276 319 I HA 0.037 4.207 4.170 -0.000 0.000 0.290 319 I C 0.108 176.283 176.117 0.096 0.000 1.109 319 I CA 0.141 61.480 61.300 0.064 0.000 1.229 319 I CB 0.846 38.871 38.000 0.042 0.000 1.452 319 I HN 0.230 nan 8.210 nan 0.000 0.497 320 Q N 3.073 122.930 119.800 0.096 0.000 2.263 320 Q HA -0.094 4.246 4.340 -0.000 0.000 0.175 320 Q C 1.085 177.155 176.000 0.117 0.000 0.826 320 Q CA 0.175 56.042 55.803 0.107 0.000 1.045 320 Q CB -0.190 28.568 28.738 0.034 0.000 1.140 320 Q HN 0.450 nan 8.270 nan 0.000 0.461 321 N N -0.589 118.187 118.700 0.125 0.000 2.405 321 N HA -0.026 4.713 4.740 -0.000 0.000 0.175 321 N C -0.944 174.671 175.510 0.175 0.000 1.051 321 N CA 0.488 53.610 53.050 0.120 0.000 0.899 321 N CB 0.503 39.052 38.487 0.104 0.000 1.000 321 N HN 0.289 nan 8.380 nan 0.000 0.451 322 Y N 0.193 120.517 120.300 0.040 0.000 2.457 322 Y HA 0.463 5.013 4.550 -0.000 0.000 0.343 322 Y C -0.957 174.976 175.900 0.056 0.000 0.994 322 Y CA -1.130 56.993 58.100 0.038 0.000 1.031 322 Y CB 1.452 39.926 38.460 0.024 0.000 1.246 322 Y HN -0.077 nan 8.280 nan 0.000 0.449 323 S N 3.946 119.510 115.700 -0.226 0.000 2.541 323 S HA 0.865 5.335 4.470 -0.000 0.000 0.271 323 S C -2.127 172.341 174.600 -0.220 0.000 1.133 323 S CA -0.767 57.389 58.200 -0.073 0.000 0.876 323 S CB 1.521 64.709 63.200 -0.021 0.000 1.105 323 S HN 0.523 nan 8.310 nan 0.000 0.470 324 V N 3.096 123.007 119.914 -0.004 0.000 2.680 324 V HA 0.603 4.723 4.120 -0.000 0.000 0.309 324 V C -0.408 175.723 176.094 0.061 0.000 1.052 324 V CA -0.709 61.595 62.300 0.007 0.000 0.908 324 V CB 1.884 33.760 31.823 0.088 0.000 1.001 324 V HN 1.019 nan 8.190 nan 0.000 0.431 325 M N 3.754 123.365 119.600 0.019 0.000 2.125 325 M HA 0.472 4.952 4.480 -0.000 0.000 0.321 325 M C -1.358 174.961 176.300 0.032 0.000 0.983 325 M CA -0.387 54.902 55.300 -0.019 0.000 0.934 325 M CB 0.981 33.513 32.600 -0.114 0.000 1.542 325 M HN 0.636 nan 8.290 nan 0.000 0.424 326 D N 5.166 125.581 120.400 0.024 0.000 2.175 326 D HA 0.484 5.124 4.640 -0.000 0.000 0.248 326 D C -0.830 175.449 176.300 -0.035 0.000 1.047 326 D CA -0.037 53.977 54.000 0.024 0.000 0.883 326 D CB 1.861 42.700 40.800 0.064 0.000 1.180 326 D HN 0.628 nan 8.370 nan 0.000 0.438 327 I N 2.777 123.352 120.570 0.009 0.000 2.437 327 I HA 0.207 4.377 4.170 -0.000 0.000 0.279 327 I C -0.471 175.654 176.117 0.014 0.000 1.028 327 I CA -0.582 60.721 61.300 0.006 0.000 1.142 327 I CB 1.075 39.142 38.000 0.111 0.000 1.266 327 I HN 0.146 nan 8.210 nan 0.000 0.461 328 c N 3.947 122.537 118.600 -0.018 0.000 2.319 328 c HA 0.499 5.069 4.570 -0.000 0.000 0.335 328 c C 0.075 174.290 174.090 0.210 0.000 1.274 328 c CA -0.641 55.740 56.329 0.087 0.000 1.806 328 c CB 0.504 43.060 42.510 0.076 0.000 2.329 328 c HN 0.595 nan 8.230 nan 0.000 0.524 329 D N 0.066 120.584 120.400 0.196 0.000 2.252 329 D HA 0.356 4.996 4.640 -0.000 0.000 0.245 329 D C -0.678 175.606 176.300 -0.028 0.000 1.009 329 D CA -0.243 53.840 54.000 0.137 0.000 0.870 329 D CB 0.745 41.576 40.800 0.051 0.000 1.251 329 D HN 0.571 nan 8.370 nan 0.000 0.460 330 Y N 1.431 121.427 120.300 -0.507 0.000 2.377 330 Y HA 0.172 4.722 4.550 -0.000 0.000 0.330 330 Y C -0.030 175.587 175.900 -0.471 0.000 1.108 330 Y CA -0.293 57.192 58.100 -1.024 0.000 1.308 330 Y CB 0.784 38.499 38.460 -1.242 0.000 1.216 330 Y HN 0.220 nan 8.280 nan 0.000 0.518 331 D N 5.548 125.280 120.400 -1.114 0.000 2.500 331 D HA 0.048 4.688 4.640 -0.000 0.000 0.219 331 D C 0.960 176.658 176.300 -1.002 0.000 1.137 331 D CA 0.041 53.581 54.000 -0.766 0.000 0.946 331 D CB 0.476 41.013 40.800 -0.438 0.000 1.022 331 D HN 0.872 nan 8.370 nan 0.000 0.518 332 E N 1.224 120.942 120.200 -0.804 0.000 2.172 332 E HA -0.216 4.134 4.350 -0.000 0.000 0.213 332 E C 0.345 176.787 176.600 -0.264 0.000 1.051 332 E CA 1.456 57.594 56.400 -0.437 0.000 0.860 332 E CB 0.145 29.762 29.700 -0.139 0.000 0.755 332 E HN 0.147 nan 8.360 nan 0.000 0.462 333 S N -0.862 114.709 115.700 -0.216 0.000 2.979 333 S HA 0.328 4.798 4.470 -0.000 0.000 0.210 333 S C -0.174 174.352 174.600 -0.124 0.000 1.364 333 S CA 0.035 58.162 58.200 -0.122 0.000 1.208 333 S CB 0.752 63.905 63.200 -0.079 0.000 1.167 333 S HN 0.123 nan 8.310 nan 0.000 0.519 334 S N -0.431 115.178 115.700 -0.152 0.000 1.913 334 S HA 0.266 4.736 4.470 -0.000 0.000 0.231 334 S C 1.345 175.906 174.600 -0.065 0.000 0.854 334 S CA 0.110 58.247 58.200 -0.105 0.000 1.513 334 S CB 0.024 63.144 63.200 -0.133 0.000 1.020 334 S HN 0.704 nan 8.310 nan 0.000 0.455 335 G N 2.178 110.908 108.800 -0.117 0.000 2.347 335 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.247 335 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.247 335 G C 0.057 175.072 174.900 0.192 0.000 1.037 335 G CA 0.709 45.877 45.100 0.112 0.000 0.622 335 G HN 0.652 nan 8.290 nan 0.000 0.521 336 R N -0.467 120.052 120.500 0.032 0.000 2.549 336 R HA 0.699 5.039 4.340 -0.000 0.000 0.259 336 R C -0.605 175.683 176.300 -0.021 0.000 1.095 336 R CA -0.835 55.344 56.100 0.132 0.000 1.148 336 R CB 0.168 30.542 30.300 0.124 0.000 1.181 336 R HN 0.272 nan 8.270 nan 0.000 0.571 337 W N -0.305 121.039 121.300 0.074 0.000 2.551 337 W HA 0.490 5.149 4.660 -0.000 0.000 0.330 337 W C -0.675 175.840 176.519 -0.006 0.000 1.063 337 W CA -0.486 56.884 57.345 0.042 0.000 1.222 337 W CB 1.195 30.668 29.460 0.022 0.000 1.349 337 W HN 0.519 nan 8.180 nan 0.000 0.536 338 N N 1.256 120.060 118.700 0.173 0.000 2.296 338 N HA 0.492 5.232 4.740 -0.000 0.000 0.294 338 N C -1.701 173.860 175.510 0.084 0.000 1.033 338 N CA -0.647 52.456 53.050 0.089 0.000 0.839 338 N CB 1.351 39.849 38.487 0.018 0.000 1.395 338 N HN 0.207 nan 8.380 nan 0.000 0.479 339 c N 2.699 121.332 118.600 0.055 0.000 2.242 339 c HA 0.364 4.934 4.570 -0.000 0.000 0.317 339 c C 0.474 174.573 174.090 0.015 0.000 1.087 339 c CA -1.096 55.254 56.329 0.036 0.000 1.535 339 c CB -1.559 40.964 42.510 0.021 0.000 1.893 339 c HN 0.620 nan 8.230 nan 0.000 0.426 340 L N 2.774 124.008 121.223 0.017 0.000 2.628 340 L HA 0.038 4.378 4.340 -0.000 0.000 0.274 340 L C 0.882 177.748 176.870 -0.007 0.000 1.209 340 L CA 0.472 55.314 54.840 0.004 0.000 0.930 340 L CB 0.157 42.222 42.059 0.009 0.000 1.183 340 L HN 0.553 nan 8.230 nan 0.000 0.492 341 V N 5.525 125.427 119.914 -0.019 0.000 3.376 341 V HA 0.272 4.392 4.120 -0.000 0.000 0.303 341 V C 1.316 177.388 176.094 -0.037 0.000 1.100 341 V CA 0.635 62.917 62.300 -0.030 0.000 1.126 341 V CB 1.162 32.965 31.823 -0.034 0.000 1.085 341 V HN 1.109 nan 8.190 nan 0.000 0.480 342 A N 2.767 125.553 122.820 -0.055 0.000 3.396 342 A HA -0.283 4.037 4.320 -0.000 0.000 0.267 342 A C 1.633 179.162 177.584 -0.092 0.000 1.139 342 A CA 1.967 53.962 52.037 -0.069 0.000 1.115 342 A CB -1.877 17.097 19.000 -0.044 0.000 1.133 342 A HN 1.203 nan 8.150 nan 0.000 0.920 343 R N -0.081 120.371 120.500 -0.079 0.000 2.509 343 R HA 0.185 4.525 4.340 -0.000 0.000 0.297 343 R C 0.427 176.685 176.300 -0.070 0.000 0.951 343 R CA 0.677 56.747 56.100 -0.050 0.000 1.103 343 R CB 0.158 30.476 30.300 0.030 0.000 1.283 343 R HN 0.828 nan 8.270 nan 0.000 0.534 344 Q N 0.058 119.778 119.800 -0.134 0.000 2.235 344 Q HA 0.310 4.650 4.340 -0.000 0.000 0.256 344 Q C -1.331 174.533 176.000 -0.227 0.000 0.951 344 Q CA -0.852 54.915 55.803 -0.059 0.000 0.890 344 Q CB 1.598 30.327 28.738 -0.014 0.000 1.279 344 Q HN 0.163 nan 8.270 nan 0.000 0.444 345 H N 0.963 120.027 119.070 -0.010 0.000 2.489 345 H HA 0.497 5.053 4.556 -0.000 0.000 0.343 345 H C -0.676 174.612 175.328 -0.067 0.000 1.086 345 H CA -0.640 55.403 56.048 -0.008 0.000 1.198 345 H CB 1.330 31.087 29.762 -0.008 0.000 1.490 345 H HN 0.528 nan 8.280 nan 0.000 0.504 346 I N 1.736 122.318 120.570 0.020 0.000 2.428 346 I HA 0.246 4.416 4.170 -0.000 0.000 0.296 346 I C 0.117 176.164 176.117 -0.116 0.000 0.985 346 I CA -0.297 60.917 61.300 -0.143 0.000 1.260 346 I CB 1.321 39.208 38.000 -0.188 0.000 1.389 346 I HN 0.571 nan 8.210 nan 0.000 0.484 347 E N 7.877 127.947 120.200 -0.218 0.000 2.255 347 E HA 0.493 4.843 4.350 -0.000 0.000 0.256 347 E C -1.265 175.232 176.600 -0.172 0.000 0.887 347 E CA -0.634 55.695 56.400 -0.118 0.000 0.782 347 E CB 1.463 31.121 29.700 -0.069 0.000 1.214 347 E HN 0.615 nan 8.360 nan 0.000 0.417 348 M N 1.183 120.724 119.600 -0.098 0.000 2.658 348 M HA 0.679 5.159 4.480 -0.000 0.000 0.295 348 M C -1.136 175.165 176.300 0.001 0.000 1.248 348 M CA -0.839 54.436 55.300 -0.041 0.000 0.843 348 M CB 2.367 34.981 32.600 0.025 0.000 1.749 348 M HN 0.237 nan 8.290 nan 0.000 0.464 349 S N -0.668 115.043 115.700 0.018 0.000 2.548 349 S HA 0.668 5.138 4.470 -0.000 0.000 0.286 349 S C 0.135 174.741 174.600 0.010 0.000 1.098 349 S CA 0.098 58.298 58.200 0.000 0.000 0.930 349 S CB 1.986 65.165 63.200 -0.035 0.000 1.070 349 S HN 0.940 nan 8.310 nan 0.000 0.480 350 T N -0.986 113.570 114.554 0.004 0.000 2.971 350 T HA 0.098 4.448 4.350 -0.000 0.000 0.252 350 T C 1.442 176.141 174.700 -0.001 0.000 1.022 350 T CA 0.778 62.883 62.100 0.008 0.000 0.980 350 T CB -0.394 68.480 68.868 0.010 0.000 1.044 350 T HN 0.650 nan 8.240 nan 0.000 0.501 351 T N -1.563 112.995 114.554 0.006 0.000 3.051 351 T HA 0.586 4.936 4.350 -0.000 0.000 0.255 351 T C 1.265 175.919 174.700 -0.077 0.000 1.085 351 T CA 0.527 62.648 62.100 0.036 0.000 1.109 351 T CB 0.263 69.194 68.868 0.106 0.000 0.921 351 T HN 0.618 nan 8.240 nan 0.000 0.488 352 G N 0.386 108.987 108.800 -0.331 0.000 3.046 352 G HA2 0.492 4.452 3.960 -0.000 0.000 0.137 352 G HA3 0.492 4.452 3.960 -0.000 0.000 0.137 352 G C -1.634 173.029 174.900 -0.395 0.000 1.207 352 G CA -0.508 44.111 45.100 -0.802 0.000 1.218 352 G HN 0.517 nan 8.290 nan 0.000 0.625 353 W N -0.212 120.791 121.300 -0.495 0.000 2.630 353 W HA 0.791 5.451 4.660 -0.000 0.000 0.365 353 W C -0.591 175.861 176.519 -0.113 0.000 1.270 353 W CA -1.376 55.822 57.345 -0.246 0.000 1.291 353 W CB 0.952 30.232 29.460 -0.301 0.000 1.440 353 W HN 0.272 nan 8.180 nan 0.000 0.652 354 V N 3.055 123.041 119.914 0.120 0.000 2.383 354 V HA 0.697 4.817 4.120 -0.000 0.000 0.275 354 V C 0.738 176.900 176.094 0.113 0.000 1.036 354 V CA 0.451 62.778 62.300 0.046 0.000 0.889 354 V CB -0.048 31.801 31.823 0.043 0.000 0.985 354 V HN 1.286 nan 8.190 nan 0.000 0.459 355 G N 5.207 114.031 108.800 0.039 0.000 2.781 355 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.683 355 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.683 355 G C 0.336 175.320 174.900 0.139 0.000 1.390 355 G CA 0.057 45.207 45.100 0.082 0.000 0.850 355 G HN 0.612 nan 8.290 nan 0.000 0.557 356 R N -0.633 119.945 120.500 0.130 0.000 2.062 356 R HA 0.086 4.426 4.340 -0.000 0.000 0.231 356 R C 1.898 178.202 176.300 0.006 0.000 1.136 356 R CA 2.153 58.300 56.100 0.079 0.000 0.948 356 R CB -0.105 30.252 30.300 0.095 0.000 0.845 356 R HN 0.480 nan 8.270 nan 0.000 0.430 357 F N -0.934 119.149 119.950 0.223 0.000 2.831 357 F HA 0.262 4.788 4.527 -0.000 0.000 0.334 357 F C 0.363 176.181 175.800 0.030 0.000 1.071 357 F CA -0.415 57.660 58.000 0.126 0.000 1.172 357 F CB 0.800 39.874 39.000 0.123 0.000 1.054 357 F HN -0.067 nan 8.300 nan 0.000 0.572 358 R N -1.242 119.379 120.500 0.201 0.000 3.033 358 R HA 0.318 4.658 4.340 -0.000 0.000 0.284 358 R C -3.404 172.941 176.300 0.074 0.000 0.997 358 R CA -1.570 54.577 56.100 0.078 0.000 0.851 358 R CB 0.132 30.429 30.300 -0.006 0.000 1.297 358 R HN -0.344 nan 8.270 nan 0.000 0.518 359 P HA -0.031 nan 4.420 nan 0.000 0.265 359 P C -0.317 176.991 177.300 0.014 0.000 1.187 359 P CA 0.205 63.310 63.100 0.009 0.000 0.766 359 P CB 0.655 32.335 31.700 -0.032 0.000 0.820 360 S N 1.101 116.818 115.700 0.027 0.000 2.600 360 S HA 0.125 4.595 4.470 -0.000 0.000 0.265 360 S C 0.049 174.652 174.600 0.005 0.000 1.325 360 S CA -0.715 57.516 58.200 0.052 0.000 1.002 360 S CB 0.493 63.743 63.200 0.083 0.000 0.921 360 S HN 0.546 nan 8.310 nan 0.000 0.554 361 E N 1.914 122.136 120.200 0.036 0.000 2.283 361 E HA 0.333 4.683 4.350 -0.000 0.000 0.278 361 E C -2.361 174.201 176.600 -0.064 0.000 1.027 361 E CA -2.364 54.015 56.400 -0.035 0.000 0.843 361 E CB 0.666 30.358 29.700 -0.015 0.000 1.062 361 E HN 0.481 nan 8.360 nan 0.000 0.401 362 P HA 0.138 nan 4.420 nan 0.000 0.282 362 P C -1.157 176.014 177.300 -0.216 0.000 1.249 362 P CA -0.229 62.716 63.100 -0.258 0.000 0.806 362 P CB 0.819 32.094 31.700 -0.709 0.000 0.984 363 H N 2.470 121.571 119.070 0.052 0.000 2.786 363 H HA 0.274 4.830 4.556 -0.000 0.000 0.284 363 H C -0.100 175.382 175.328 0.256 0.000 1.104 363 H CA -0.360 55.806 56.048 0.197 0.000 1.339 363 H CB 0.090 29.971 29.762 0.198 0.000 1.427 363 H HN 0.297 nan 8.280 nan 0.000 0.497 364 F N 1.734 121.856 119.950 0.286 0.000 2.450 364 F HA 0.043 4.570 4.527 -0.000 0.000 0.339 364 F C 1.589 177.583 175.800 0.323 0.000 1.146 364 F CA -0.246 57.941 58.000 0.313 0.000 1.267 364 F CB 0.748 39.863 39.000 0.191 0.000 1.178 364 F HN 0.292 nan 8.300 nan 0.000 0.585 365 T N 0.784 115.646 114.554 0.513 0.000 2.904 365 T HA 0.192 4.542 4.350 -0.000 0.000 0.290 365 T C 1.096 175.992 174.700 0.327 0.000 1.018 365 T CA -0.855 61.484 62.100 0.399 0.000 1.075 365 T CB 1.046 70.142 68.868 0.381 0.000 0.986 365 T HN 0.602 nan 8.240 nan 0.000 0.523 366 L N 1.459 122.830 121.223 0.247 0.000 2.113 366 L HA -0.229 4.111 4.340 -0.000 0.000 0.221 366 L C 1.973 178.956 176.870 0.188 0.000 1.084 366 L CA 2.505 57.462 54.840 0.195 0.000 0.787 366 L CB -0.889 41.260 42.059 0.151 0.000 0.893 366 L HN 0.947 nan 8.230 nan 0.000 0.440 367 D N -1.374 119.143 120.400 0.196 0.000 2.349 367 D HA 0.058 4.697 4.640 -0.000 0.000 0.224 367 D C 1.463 177.884 176.300 0.201 0.000 1.029 367 D CA 0.682 54.787 54.000 0.175 0.000 0.879 367 D CB -0.698 40.195 40.800 0.155 0.000 0.906 367 D HN 0.457 nan 8.370 nan 0.000 0.528 368 G N 0.944 109.906 108.800 0.270 0.000 2.323 368 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.292 368 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.292 368 G C 0.373 175.484 174.900 0.352 0.000 1.040 368 G CA 0.539 45.836 45.100 0.329 0.000 0.942 368 G HN 0.537 nan 8.290 nan 0.000 0.506 369 N N -1.067 117.831 118.700 0.329 0.000 2.193 369 N HA 0.278 5.018 4.740 -0.000 0.000 0.210 369 N C 0.560 176.189 175.510 0.197 0.000 1.215 369 N CA 0.392 53.589 53.050 0.245 0.000 0.901 369 N CB 0.670 39.256 38.487 0.166 0.000 1.060 369 N HN 0.603 nan 8.380 nan 0.000 0.508 370 S N 0.082 115.910 115.700 0.213 0.000 2.607 370 S HA 0.729 5.199 4.470 -0.000 0.000 0.273 370 S C -1.285 173.325 174.600 0.017 0.000 1.148 370 S CA -0.957 57.200 58.200 -0.071 0.000 0.833 370 S CB 1.555 64.635 63.200 -0.201 0.000 1.130 370 S HN 0.175 nan 8.310 nan 0.000 0.470 371 F N -1.741 117.976 119.950 -0.388 0.000 2.668 371 F HA 0.838 5.365 4.527 -0.000 0.000 0.309 371 F C -2.209 173.452 175.800 -0.232 0.000 1.117 371 F CA -1.492 56.304 58.000 -0.339 0.000 0.951 371 F CB 0.586 39.003 39.000 -0.972 0.000 1.323 371 F HN 0.586 nan 8.300 nan 0.000 0.451 372 Y N 1.105 121.537 120.300 0.221 0.000 2.446 372 Y HA 0.739 5.289 4.550 -0.000 0.000 0.338 372 Y C -0.596 175.453 175.900 0.249 0.000 1.055 372 Y CA -1.100 57.124 58.100 0.206 0.000 1.101 372 Y CB 2.192 40.749 38.460 0.161 0.000 1.221 372 Y HN 0.744 nan 8.280 nan 0.000 0.460 373 K N 0.671 121.274 120.400 0.339 0.000 2.589 373 K HA 0.534 4.854 4.320 -0.000 0.000 0.265 373 K C -2.034 174.676 176.600 0.184 0.000 0.935 373 K CA -0.643 55.797 56.287 0.255 0.000 0.850 373 K CB 0.867 33.465 32.500 0.163 0.000 1.372 373 K HN 0.555 nan 8.250 nan 0.000 0.420 374 I N 4.102 124.763 120.570 0.151 0.000 2.496 374 I HA 0.363 4.533 4.170 -0.000 0.000 0.285 374 I C 0.289 176.475 176.117 0.116 0.000 1.080 374 I CA -0.462 60.909 61.300 0.119 0.000 1.404 374 I CB 0.150 38.209 38.000 0.098 0.000 1.403 374 I HN 0.682 nan 8.210 nan 0.000 0.539 375 I N 1.649 122.309 120.570 0.150 0.000 3.006 375 I HA 0.451 4.621 4.170 -0.000 0.000 0.306 375 I C -0.342 175.879 176.117 0.173 0.000 1.250 375 I CA -0.795 60.593 61.300 0.146 0.000 0.996 375 I CB 2.153 40.253 38.000 0.167 0.000 1.261 375 I HN 0.365 nan 8.210 nan 0.000 0.442 376 S N 2.714 118.456 115.700 0.070 0.000 2.533 376 S HA 0.191 4.661 4.470 -0.000 0.000 0.282 376 S C 0.277 174.891 174.600 0.023 0.000 1.304 376 S CA -0.170 58.017 58.200 -0.021 0.000 1.063 376 S CB -0.244 62.883 63.200 -0.122 0.000 0.881 376 S HN 0.679 nan 8.310 nan 0.000 0.493 377 N N 2.069 120.704 118.700 -0.110 0.000 2.229 377 N HA 0.023 4.763 4.740 -0.000 0.000 0.242 377 N C 1.031 176.433 175.510 -0.181 0.000 1.327 377 N CA -0.031 52.843 53.050 -0.293 0.000 0.896 377 N CB 0.221 38.539 38.487 -0.281 0.000 1.129 377 N HN 0.779 nan 8.380 nan 0.000 0.490 378 E N 0.155 120.223 120.200 -0.219 0.000 2.385 378 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 378 E C 0.867 177.398 176.600 -0.114 0.000 1.013 378 E CA 0.878 57.204 56.400 -0.123 0.000 0.866 378 E CB 0.060 29.693 29.700 -0.111 0.000 0.832 378 E HN 0.641 nan 8.360 nan 0.000 0.500 379 E N -1.305 118.821 120.200 -0.122 0.000 2.474 379 E HA 0.109 4.459 4.350 -0.000 0.000 0.195 379 E C 0.729 177.299 176.600 -0.050 0.000 1.039 379 E CA 0.568 56.942 56.400 -0.044 0.000 0.881 379 E CB 0.078 29.776 29.700 -0.003 0.000 0.970 379 E HN 0.304 nan 8.360 nan 0.000 0.486 380 G N 0.291 108.995 108.800 -0.161 0.000 2.175 380 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 380 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 380 G C -0.415 174.174 174.900 -0.518 0.000 0.982 380 G CA 0.293 45.180 45.100 -0.354 0.000 0.641 380 G HN 0.233 nan 8.290 nan 0.000 0.527 381 Y N 0.475 120.630 120.300 -0.241 0.000 2.342 381 Y HA 0.689 5.239 4.550 -0.000 0.000 0.334 381 Y C 1.084 176.788 175.900 -0.327 0.000 1.067 381 Y CA -0.938 56.991 58.100 -0.284 0.000 1.128 381 Y CB 0.991 39.288 38.460 -0.272 0.000 1.200 381 Y HN 0.070 nan 8.280 nan 0.000 0.464 382 R N 3.517 123.854 120.500 -0.273 0.000 2.296 382 R HA 0.271 4.611 4.340 -0.000 0.000 0.323 382 R C -0.740 175.264 176.300 -0.494 0.000 1.067 382 R CA -0.005 55.953 56.100 -0.238 0.000 0.946 382 R CB 0.049 30.267 30.300 -0.136 0.000 0.991 382 R HN 0.643 nan 8.270 nan 0.000 0.448 383 H N 1.754 120.832 119.070 0.013 0.000 2.907 383 H HA 0.343 4.899 4.556 -0.000 0.000 0.361 383 H C -0.065 175.336 175.328 0.121 0.000 1.194 383 H CA -0.977 55.062 56.048 -0.016 0.000 1.152 383 H CB 1.564 31.265 29.762 -0.103 0.000 1.867 383 H HN 0.325 nan 8.280 nan 0.000 0.561 384 I N 1.419 122.069 120.570 0.134 0.000 2.452 384 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 384 I C 0.449 176.539 176.117 -0.045 0.000 1.079 384 I CA 0.141 61.470 61.300 0.049 0.000 1.387 384 I CB 0.157 38.140 38.000 -0.030 0.000 1.404 384 I HN 0.106 nan 8.210 nan 0.000 0.522 385 c N 7.153 125.647 118.600 -0.177 0.000 2.376 385 c HA 0.413 4.983 4.570 -0.000 0.000 0.335 385 c C -0.260 173.627 174.090 -0.339 0.000 1.229 385 c CA -0.469 55.523 56.329 -0.562 0.000 1.867 385 c CB 0.919 42.851 42.510 -0.963 0.000 2.319 385 c HN 0.651 nan 8.230 nan 0.000 0.515 386 Y N 4.662 124.564 120.300 -0.663 0.000 2.335 386 Y HA 0.656 5.206 4.550 -0.000 0.000 0.339 386 Y C -0.922 174.497 175.900 -0.802 0.000 0.987 386 Y CA -0.629 57.037 58.100 -0.722 0.000 1.140 386 Y CB 0.231 38.304 38.460 -0.645 0.000 1.173 386 Y HN 0.621 nan 8.280 nan 0.000 0.486 387 F N 2.988 122.093 119.950 -1.408 0.000 2.575 387 F HA 0.546 5.073 4.527 -0.000 0.000 0.330 387 F C -0.411 174.595 175.800 -1.324 0.000 1.056 387 F CA -0.967 56.207 58.000 -1.376 0.000 0.964 387 F CB 1.678 39.498 39.000 -1.966 0.000 1.258 387 F HN 0.263 nan 8.300 nan 0.000 0.484 388 Q N 1.231 120.711 119.800 -0.532 0.000 2.330 388 Q HA 0.385 4.725 4.340 -0.000 0.000 0.269 388 Q C 0.844 176.849 176.000 0.009 0.000 1.022 388 Q CA -0.335 55.295 55.803 -0.288 0.000 0.796 388 Q CB 1.569 30.197 28.738 -0.184 0.000 1.271 388 Q HN 0.662 nan 8.270 nan 0.000 0.450 389 I N -0.701 119.949 120.570 0.134 0.000 2.730 389 I HA -0.265 3.905 4.170 -0.000 0.000 0.266 389 I C 0.007 176.311 176.117 0.311 0.000 1.228 389 I CA 2.019 63.545 61.300 0.377 0.000 1.445 389 I CB -0.023 38.188 38.000 0.351 0.000 1.102 389 I HN 0.518 nan 8.210 nan 0.000 0.464 390 D N -0.751 119.743 120.400 0.157 0.000 2.489 390 D HA 0.132 4.772 4.640 -0.000 0.000 0.231 390 D C 0.446 176.750 176.300 0.007 0.000 1.114 390 D CA -0.257 53.774 54.000 0.051 0.000 0.842 390 D CB -0.055 40.765 40.800 0.033 0.000 1.133 390 D HN 0.115 nan 8.370 nan 0.000 0.506 391 K N 1.316 121.739 120.400 0.037 0.000 2.339 391 K HA 0.180 4.500 4.320 -0.000 0.000 0.286 391 K C 1.180 177.799 176.600 0.030 0.000 1.050 391 K CA -0.222 56.062 56.287 -0.005 0.000 0.956 391 K CB 1.220 33.685 32.500 -0.059 0.000 0.990 391 K HN 0.161 nan 8.250 nan 0.000 0.475 392 K N 0.999 121.387 120.400 -0.020 0.000 2.148 392 K HA -0.036 4.283 4.320 -0.000 0.000 0.204 392 K C -0.234 176.385 176.600 0.032 0.000 1.050 392 K CA 1.095 57.381 56.287 -0.002 0.000 0.942 392 K CB 0.210 32.690 32.500 -0.033 0.000 0.724 392 K HN 0.358 nan 8.250 nan 0.000 0.446 393 D N 1.234 121.597 120.400 -0.062 0.000 2.163 393 D HA 0.173 4.813 4.640 -0.000 0.000 0.248 393 D C 0.073 176.155 176.300 -0.364 0.000 1.035 393 D CA -0.505 53.400 54.000 -0.158 0.000 0.872 393 D CB 1.666 42.394 40.800 -0.120 0.000 1.183 393 D HN 0.371 nan 8.370 nan 0.000 0.445 394 c N -0.099 118.114 118.600 -0.644 0.000 2.547 394 c HA 0.847 5.417 4.570 -0.000 0.000 0.411 394 c C 0.133 173.842 174.090 -0.634 0.000 1.424 394 c CA -0.481 55.238 56.329 -1.016 0.000 1.848 394 c CB 0.982 42.187 42.510 -2.176 0.000 2.062 394 c HN 0.514 nan 8.230 nan 0.000 0.504 395 T N 1.212 115.409 114.554 -0.596 0.000 2.985 395 T HA 0.414 4.763 4.350 -0.000 0.000 0.315 395 T C -0.785 173.711 174.700 -0.340 0.000 1.001 395 T CA 0.133 62.044 62.100 -0.315 0.000 1.016 395 T CB 0.094 68.906 68.868 -0.094 0.000 0.993 395 T HN 0.465 nan 8.240 nan 0.000 0.454 396 F N 3.255 123.079 119.950 -0.210 0.000 2.608 396 F HA 0.152 4.679 4.527 -0.000 0.000 0.380 396 F C 1.811 177.444 175.800 -0.278 0.000 1.083 396 F CA -0.482 57.387 58.000 -0.219 0.000 1.266 396 F CB 0.351 39.229 39.000 -0.203 0.000 1.076 396 F HN 0.602 nan 8.300 nan 0.000 0.574 397 I N -0.851 119.594 120.570 -0.209 0.000 3.941 397 I HA 0.201 4.371 4.170 -0.000 0.000 0.321 397 I C 0.348 176.331 176.117 -0.224 0.000 1.284 397 I CA 0.134 61.153 61.300 -0.467 0.000 1.226 397 I CB 0.029 37.507 38.000 -0.870 0.000 1.045 397 I HN 0.507 nan 8.210 nan 0.000 0.420 398 T N 0.255 114.713 114.554 -0.160 0.000 2.906 398 T HA 0.712 5.062 4.350 -0.000 0.000 0.295 398 T C -0.663 173.644 174.700 -0.656 0.000 1.075 398 T CA -0.683 61.286 62.100 -0.218 0.000 1.005 398 T CB 2.763 71.574 68.868 -0.095 0.000 1.136 398 T HN 0.501 nan 8.240 nan 0.000 0.498 399 K N -0.428 119.397 120.400 -0.958 0.000 2.615 399 K HA 0.764 5.084 4.320 -0.000 0.000 0.291 399 K C -0.539 175.410 176.600 -1.085 0.000 1.017 399 K CA -0.835 54.586 56.287 -1.444 0.000 0.882 399 K CB 1.290 33.367 32.500 -0.704 0.000 1.522 399 K HN 1.631 nan 8.250 nan 0.000 0.412 400 G N -0.132 108.110 108.800 -0.929 0.000 2.339 400 G HA2 0.089 4.049 3.960 -0.000 0.000 0.381 400 G HA3 0.089 4.049 3.960 -0.000 0.000 0.381 400 G C -0.643 173.737 174.900 -0.867 0.000 1.400 400 G CA -0.361 44.350 45.100 -0.648 0.000 1.002 400 G HN 0.944 nan 8.290 nan 0.000 0.633 401 T N -0.340 113.847 114.554 -0.611 0.000 3.607 401 T HA 0.527 4.877 4.350 -0.000 0.000 0.225 401 T C 0.321 174.840 174.700 -0.301 0.000 0.904 401 T CA 0.461 62.003 62.100 -0.930 0.000 0.962 401 T CB -0.901 67.669 68.868 -0.496 0.000 1.221 401 T HN 1.233 nan 8.240 nan 0.000 0.641 402 W N -0.449 120.710 121.300 -0.236 0.000 2.940 402 W HA 0.722 5.382 4.660 -0.000 0.000 0.394 402 W C -1.134 175.395 176.519 0.017 0.000 1.155 402 W CA -1.056 56.279 57.345 -0.016 0.000 1.165 402 W CB 0.755 30.196 29.460 -0.032 0.000 1.492 402 W HN 0.087 nan 8.180 nan 0.000 0.593 403 E N 0.465 120.841 120.200 0.294 0.000 2.393 403 E HA 0.449 4.798 4.350 -0.000 0.000 0.273 403 E C -1.383 175.327 176.600 0.183 0.000 0.918 403 E CA -1.125 55.269 56.400 -0.010 0.000 0.773 403 E CB 3.345 33.072 29.700 0.044 0.000 1.275 403 E HN 0.141 nan 8.360 nan 0.000 0.451 404 V N 3.668 123.569 119.914 -0.022 0.000 2.385 404 V HA 0.047 4.167 4.120 -0.000 0.000 0.269 404 V C 1.230 177.413 176.094 0.150 0.000 1.043 404 V CA -0.211 62.162 62.300 0.121 0.000 0.906 404 V CB 0.622 32.415 31.823 -0.051 0.000 0.995 404 V HN 0.686 nan 8.190 nan 0.000 0.467 405 I N 3.298 123.989 120.570 0.201 0.000 2.286 405 I HA 0.166 4.336 4.170 -0.000 0.000 0.245 405 I C 1.159 177.399 176.117 0.205 0.000 1.104 405 I CA 1.292 62.710 61.300 0.196 0.000 1.397 405 I CB -0.897 37.155 38.000 0.087 0.000 1.072 405 I HN 0.761 nan 8.210 nan 0.000 0.417 406 G N 0.425 109.346 108.800 0.203 0.000 2.579 406 G HA2 0.500 4.460 3.960 -0.000 0.000 0.292 406 G HA3 0.500 4.460 3.960 -0.000 0.000 0.292 406 G C -1.197 173.817 174.900 0.189 0.000 1.484 406 G CA -0.657 44.562 45.100 0.197 0.000 0.813 406 G HN -0.025 nan 8.290 nan 0.000 0.515 407 I N 1.723 122.361 120.570 0.114 0.000 2.352 407 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 407 I C 0.737 176.817 176.117 -0.063 0.000 1.036 407 I CA -0.574 60.698 61.300 -0.046 0.000 1.336 407 I CB 1.611 39.371 38.000 -0.400 0.000 1.407 407 I HN 0.503 nan 8.210 nan 0.000 0.497 408 E N 4.864 125.073 120.200 0.015 0.000 2.162 408 E HA 0.267 4.617 4.350 -0.000 0.000 0.193 408 E C 0.310 176.829 176.600 -0.134 0.000 0.953 408 E CA 0.373 56.806 56.400 0.055 0.000 0.849 408 E CB 0.519 30.346 29.700 0.213 0.000 0.810 408 E HN 0.685 nan 8.360 nan 0.000 0.470 409 A N 0.729 123.368 122.820 -0.302 0.000 2.549 409 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 409 A C -1.787 175.671 177.584 -0.209 0.000 1.061 409 A CA -0.621 51.131 52.037 -0.474 0.000 0.690 409 A CB 1.454 19.596 19.000 -1.428 0.000 1.287 409 A HN 0.058 nan 8.150 nan 0.000 0.402 410 L N 1.949 123.088 121.223 -0.139 0.000 2.406 410 L HA 0.749 5.089 4.340 -0.000 0.000 0.270 410 L C -0.047 176.819 176.870 -0.007 0.000 0.982 410 L CA 0.292 55.094 54.840 -0.064 0.000 0.843 410 L CB 1.828 43.873 42.059 -0.022 0.000 1.225 410 L HN 0.975 nan 8.230 nan 0.000 0.412 411 T N -0.170 114.407 114.554 0.038 0.000 2.912 411 T HA 0.386 4.736 4.350 -0.000 0.000 0.288 411 T C 1.031 175.777 174.700 0.077 0.000 1.030 411 T CA -0.037 62.103 62.100 0.067 0.000 1.020 411 T CB 1.463 70.398 68.868 0.112 0.000 1.056 411 T HN 0.634 nan 8.240 nan 0.000 0.480 412 S N -0.096 115.653 115.700 0.082 0.000 2.571 412 S HA -0.135 4.334 4.470 -0.000 0.000 0.245 412 S C 1.002 175.635 174.600 0.054 0.000 0.976 412 S CA 1.035 59.282 58.200 0.080 0.000 0.954 412 S CB -0.446 62.801 63.200 0.079 0.000 0.756 412 S HN 0.785 nan 8.310 nan 0.000 0.535 413 D N -0.514 119.933 120.400 0.078 0.000 2.652 413 D HA 0.214 4.854 4.640 -0.000 0.000 0.261 413 D C -0.272 175.999 176.300 -0.048 0.000 1.024 413 D CA 0.648 54.688 54.000 0.068 0.000 0.958 413 D CB 0.388 41.327 40.800 0.230 0.000 1.113 413 D HN 0.396 nan 8.370 nan 0.000 0.471 414 Y N -0.373 119.907 120.300 -0.034 0.000 2.662 414 Y HA 0.500 5.050 4.550 -0.000 0.000 0.335 414 Y C -0.346 175.451 175.900 -0.172 0.000 1.066 414 Y CA -1.037 56.974 58.100 -0.148 0.000 1.116 414 Y CB 1.637 39.892 38.460 -0.342 0.000 1.308 414 Y HN -0.188 nan 8.280 nan 0.000 0.502 415 L N 2.196 123.369 121.223 -0.084 0.000 2.404 415 L HA 0.478 4.818 4.340 -0.000 0.000 0.272 415 L C -2.073 174.732 176.870 -0.107 0.000 0.980 415 L CA -0.756 54.010 54.840 -0.124 0.000 0.836 415 L CB 0.473 42.385 42.059 -0.246 0.000 1.238 415 L HN 0.608 nan 8.230 nan 0.000 0.408 416 Y N 5.588 125.820 120.300 -0.114 0.000 2.361 416 Y HA 0.611 5.161 4.550 -0.000 0.000 0.332 416 Y C -0.025 175.888 175.900 0.021 0.000 1.101 416 Y CA -0.393 57.642 58.100 -0.108 0.000 1.137 416 Y CB 1.406 39.718 38.460 -0.246 0.000 1.207 416 Y HN 0.564 nan 8.280 nan 0.000 0.463 417 Y N 0.124 120.502 120.300 0.131 0.000 2.670 417 Y HA 0.772 5.322 4.550 -0.000 0.000 0.334 417 Y C -1.987 174.010 175.900 0.162 0.000 1.185 417 Y CA -1.838 56.328 58.100 0.111 0.000 1.053 417 Y CB 1.029 39.532 38.460 0.073 0.000 1.298 417 Y HN 0.300 nan 8.280 nan 0.000 0.459 418 I N 2.927 123.701 120.570 0.340 0.000 2.441 418 I HA 0.673 4.843 4.170 -0.000 0.000 0.295 418 I C -0.206 176.121 176.117 0.350 0.000 0.994 418 I CA -0.336 61.106 61.300 0.236 0.000 1.144 418 I CB 1.586 39.669 38.000 0.137 0.000 1.314 418 I HN 0.910 nan 8.210 nan 0.000 0.445 419 S N 3.687 119.550 115.700 0.271 0.000 2.656 419 S HA 0.456 4.926 4.470 -0.000 0.000 0.273 419 S C -0.528 174.147 174.600 0.124 0.000 1.168 419 S CA -0.795 57.557 58.200 0.255 0.000 0.817 419 S CB 1.951 65.366 63.200 0.357 0.000 1.146 419 S HN 0.587 nan 8.310 nan 0.000 0.475 420 N N -0.333 118.440 118.700 0.123 0.000 2.389 420 N HA 0.142 4.882 4.740 -0.000 0.000 0.260 420 N C 0.529 176.041 175.510 0.004 0.000 1.191 420 N CA -0.170 52.905 53.050 0.042 0.000 0.885 420 N CB 0.284 38.778 38.487 0.013 0.000 1.162 420 N HN 0.848 nan 8.380 nan 0.000 0.512 421 E N 0.001 120.085 120.200 -0.193 0.000 2.072 421 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 421 E C -0.301 176.149 176.600 -0.250 0.000 0.985 421 E CA 0.173 56.224 56.400 -0.582 0.000 0.801 421 E CB -0.137 28.549 29.700 -1.690 0.000 0.750 421 E HN 0.364 nan 8.360 nan 0.000 0.452 422 Y N 1.852 122.054 120.300 -0.162 0.000 2.881 422 Y HA -0.128 4.421 4.550 -0.000 0.000 0.335 422 Y C 0.437 176.303 175.900 -0.056 0.000 1.263 422 Y CA 0.927 58.986 58.100 -0.068 0.000 1.572 422 Y CB 0.200 38.651 38.460 -0.014 0.000 1.237 422 Y HN 0.109 nan 8.280 nan 0.000 0.568 423 K N 3.330 123.378 120.400 -0.586 0.000 3.274 423 K HA -0.227 4.093 4.320 -0.000 0.000 0.305 423 K C 0.790 177.308 176.600 -0.136 0.000 1.225 423 K CA 1.277 57.322 56.287 -0.404 0.000 0.904 423 K CB -1.644 30.617 32.500 -0.398 0.000 1.227 423 K HN 1.337 nan 8.250 nan 0.000 0.453 424 G N 0.411 109.144 108.800 -0.113 0.000 2.258 424 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.274 424 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.274 424 G C 0.031 174.926 174.900 -0.009 0.000 1.021 424 G CA 0.913 45.997 45.100 -0.028 0.000 0.798 424 G HN 0.510 nan 8.290 nan 0.000 0.507 425 M N -1.189 118.341 119.600 -0.116 0.000 2.047 425 M HA 0.457 4.937 4.480 -0.000 0.000 0.342 425 M C -1.168 174.864 176.300 -0.448 0.000 1.058 425 M CA -2.279 52.755 55.300 -0.442 0.000 0.991 425 M CB 1.900 34.292 32.600 -0.348 0.000 1.474 425 M HN -0.089 nan 8.290 nan 0.000 0.419 426 P HA -0.135 nan 4.420 nan 0.000 0.220 426 P C 0.975 178.127 177.300 -0.246 0.000 1.144 426 P CA 1.702 64.615 63.100 -0.310 0.000 0.800 426 P CB -0.002 31.507 31.700 -0.319 0.000 0.772 427 G N -0.689 107.905 108.800 -0.345 0.000 3.448 427 G HA2 0.386 4.346 3.960 -0.000 0.000 0.261 427 G HA3 0.386 4.346 3.960 -0.000 0.000 0.261 427 G C 0.509 175.429 174.900 0.034 0.000 1.173 427 G CA 0.058 45.093 45.100 -0.109 0.000 0.835 427 G HN 0.462 nan 8.290 nan 0.000 0.534 428 G N -0.204 108.563 108.800 -0.056 0.000 2.498 428 G HA2 0.679 4.639 3.960 -0.000 0.000 0.312 428 G HA3 0.679 4.639 3.960 -0.000 0.000 0.312 428 G C -0.982 173.807 174.900 -0.186 0.000 1.230 428 G CA -0.784 44.308 45.100 -0.013 0.000 0.968 428 G HN 0.083 nan 8.290 nan 0.000 0.481 429 R N 0.783 121.113 120.500 -0.284 0.000 2.686 429 R HA 0.538 4.878 4.340 -0.000 0.000 0.283 429 R C -1.179 175.083 176.300 -0.063 0.000 0.978 429 R CA -0.862 55.056 56.100 -0.303 0.000 0.897 429 R CB 2.274 32.144 30.300 -0.718 0.000 1.192 429 R HN 0.632 nan 8.270 nan 0.000 0.457 430 N N 1.157 119.846 118.700 -0.019 0.000 2.484 430 N HA 0.286 5.026 4.740 -0.000 0.000 0.269 430 N C -1.554 173.886 175.510 -0.117 0.000 1.237 430 N CA -0.750 52.219 53.050 -0.136 0.000 0.838 430 N CB 2.600 40.932 38.487 -0.258 0.000 1.593 430 N HN 0.254 nan 8.380 nan 0.000 0.485 431 L N 1.910 122.915 121.223 -0.363 0.000 2.289 431 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 431 L C -1.460 175.101 176.870 -0.515 0.000 1.049 431 L CA -0.038 54.631 54.840 -0.286 0.000 0.804 431 L CB 0.159 42.062 42.059 -0.260 0.000 1.195 431 L HN 0.431 nan 8.230 nan 0.000 0.428 432 Y N 2.977 122.931 120.300 -0.576 0.000 2.634 432 Y HA 0.665 5.215 4.550 -0.000 0.000 0.340 432 Y C -0.605 174.913 175.900 -0.636 0.000 1.058 432 Y CA -0.997 56.711 58.100 -0.653 0.000 1.081 432 Y CB 1.703 39.625 38.460 -0.897 0.000 1.295 432 Y HN 0.555 nan 8.280 nan 0.000 0.487 433 K N 1.625 121.840 120.400 -0.308 0.000 2.507 433 K HA 0.659 4.979 4.320 -0.000 0.000 0.251 433 K C -1.864 174.711 176.600 -0.041 0.000 0.943 433 K CA -0.655 55.389 56.287 -0.405 0.000 0.794 433 K CB 2.427 34.398 32.500 -0.882 0.000 1.188 433 K HN 0.746 nan 8.250 nan 0.000 0.428 434 I N 2.668 123.287 120.570 0.080 0.000 2.339 434 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 434 I C -0.424 175.721 176.117 0.046 0.000 0.994 434 I CA -0.606 60.786 61.300 0.153 0.000 1.191 434 I CB 1.609 39.734 38.000 0.209 0.000 1.343 434 I HN 0.889 nan 8.210 nan 0.000 0.458 435 Q N 5.627 125.391 119.800 -0.060 0.000 2.271 435 Q HA 0.056 4.396 4.340 -0.000 0.000 0.273 435 Q C 0.019 175.898 176.000 -0.202 0.000 1.051 435 Q CA -0.395 55.129 55.803 -0.465 0.000 0.901 435 Q CB 1.227 29.729 28.738 -0.392 0.000 1.174 435 Q HN 0.827 nan 8.270 nan 0.000 0.385 436 L N 3.410 124.485 121.223 -0.246 0.000 2.456 436 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 436 L C 1.901 178.669 176.870 -0.170 0.000 1.148 436 L CA 1.278 56.087 54.840 -0.053 0.000 0.825 436 L CB -0.318 41.707 42.059 -0.056 0.000 0.937 436 L HN 0.622 nan 8.230 nan 0.000 0.450 437 S N -1.578 113.979 115.700 -0.238 0.000 2.388 437 S HA -0.025 4.445 4.470 -0.000 0.000 0.223 437 S C 0.635 175.055 174.600 -0.300 0.000 1.034 437 S CA 0.568 58.620 58.200 -0.245 0.000 0.963 437 S CB 0.017 63.099 63.200 -0.196 0.000 0.827 437 S HN 0.409 nan 8.310 nan 0.000 0.481 438 D N -0.321 119.935 120.400 -0.240 0.000 2.402 438 D HA 0.299 4.939 4.640 -0.000 0.000 0.252 438 D C -0.455 175.811 176.300 -0.057 0.000 1.294 438 D CA -0.569 53.310 54.000 -0.202 0.000 0.948 438 D CB 0.309 41.040 40.800 -0.115 0.000 1.202 438 D HN -0.052 nan 8.370 nan 0.000 0.561 439 Y N 1.659 121.923 120.300 -0.061 0.000 2.716 439 Y HA -0.001 4.549 4.550 -0.000 0.000 0.302 439 Y C 2.232 178.128 175.900 -0.007 0.000 1.160 439 Y CA 0.543 58.623 58.100 -0.034 0.000 1.362 439 Y CB -0.609 37.829 38.460 -0.036 0.000 0.988 439 Y HN 0.370 nan 8.280 nan 0.000 0.546 440 T N -0.700 113.919 114.554 0.108 0.000 3.057 440 T HA 0.039 4.388 4.350 -0.000 0.000 0.254 440 T C 0.688 175.428 174.700 0.066 0.000 1.094 440 T CA 0.289 62.432 62.100 0.072 0.000 1.088 440 T CB -0.039 68.846 68.868 0.028 0.000 0.934 440 T HN 0.150 nan 8.240 nan 0.000 0.497 441 K N 2.022 122.459 120.400 0.063 0.000 2.290 441 K HA 0.448 4.768 4.320 -0.000 0.000 0.250 441 K C -1.145 175.514 176.600 0.099 0.000 1.092 441 K CA -0.214 56.111 56.287 0.063 0.000 1.006 441 K CB 1.544 34.064 32.500 0.034 0.000 1.549 441 K HN -0.004 nan 8.250 nan 0.000 0.436 442 V N 2.642 122.624 119.914 0.113 0.000 2.384 442 V HA 0.343 4.463 4.120 -0.000 0.000 0.287 442 V C -0.856 175.309 176.094 0.118 0.000 1.020 442 V CA -0.127 62.260 62.300 0.145 0.000 0.850 442 V CB 1.686 33.626 31.823 0.194 0.000 0.987 442 V HN 0.598 nan 8.190 nan 0.000 0.436 443 T N 6.052 120.647 114.554 0.069 0.000 2.779 443 T HA 0.304 4.654 4.350 -0.000 0.000 0.280 443 T C -0.297 174.321 174.700 -0.137 0.000 0.987 443 T CA -0.280 61.809 62.100 -0.020 0.000 0.966 443 T CB 1.063 69.893 68.868 -0.064 0.000 0.933 443 T HN 0.860 nan 8.240 nan 0.000 0.442 444 C N 4.403 123.540 119.300 -0.272 0.000 2.593 444 C HA 0.423 4.883 4.460 -0.000 0.000 0.409 444 C C 1.531 176.178 174.990 -0.572 0.000 1.304 444 C CA -0.481 58.048 59.018 -0.815 0.000 2.007 444 C CB -1.414 25.742 27.740 -0.973 0.000 2.614 444 C HN 0.991 nan 8.230 nan 0.000 0.585 445 L N 4.439 125.288 121.223 -0.622 0.000 2.638 445 L HA 0.149 4.488 4.340 -0.000 0.000 0.232 445 L C 1.903 178.467 176.870 -0.511 0.000 1.099 445 L CA 0.578 55.155 54.840 -0.439 0.000 0.883 445 L CB -0.152 41.696 42.059 -0.352 0.000 1.136 445 L HN 0.882 nan 8.230 nan 0.000 0.492 446 S N -3.331 111.934 115.700 -0.725 0.000 2.628 446 S HA -0.001 4.469 4.470 -0.000 0.000 0.246 446 S C 1.737 175.861 174.600 -0.794 0.000 1.062 446 S CA -0.096 57.551 58.200 -0.921 0.000 1.028 446 S CB -0.255 61.931 63.200 -1.689 0.000 0.985 446 S HN 0.263 nan 8.310 nan 0.000 0.551 447 C N 2.273 121.107 119.300 -0.776 0.000 2.363 447 C HA -0.085 4.375 4.460 -0.000 0.000 0.274 447 C C 2.612 177.268 174.990 -0.556 0.000 1.183 447 C CA 1.779 60.284 59.018 -0.855 0.000 1.771 447 C CB -1.080 26.052 27.740 -1.012 0.000 2.059 447 C HN 0.636 nan 8.230 nan 0.000 0.455 448 E N -0.071 119.910 120.200 -0.365 0.000 2.474 448 E HA 0.142 4.492 4.350 -0.000 0.000 0.194 448 E C 1.975 178.511 176.600 -0.106 0.000 1.041 448 E CA -0.042 56.249 56.400 -0.181 0.000 0.874 448 E CB -0.259 29.366 29.700 -0.125 0.000 0.914 448 E HN 0.546 nan 8.360 nan 0.000 0.498 449 L N 0.433 121.584 121.223 -0.121 0.000 2.064 449 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 449 L C 0.947 177.824 176.870 0.012 0.000 1.077 449 L CA 1.196 56.017 54.840 -0.031 0.000 0.766 449 L CB -0.205 41.861 42.059 0.012 0.000 0.890 449 L HN 0.183 nan 8.230 nan 0.000 0.435 450 N N -1.815 116.902 118.700 0.030 0.000 3.211 450 N HA 0.046 4.786 4.740 -0.000 0.000 0.183 450 N C -2.136 173.401 175.510 0.045 0.000 1.447 450 N CA -0.589 52.480 53.050 0.031 0.000 0.840 450 N CB 0.668 39.172 38.487 0.028 0.000 1.611 450 N HN -0.170 nan 8.380 nan 0.000 0.610 451 P HA -0.142 nan 4.420 nan 0.000 0.220 451 P C 0.914 178.264 177.300 0.084 0.000 1.144 451 P CA 1.048 64.197 63.100 0.081 0.000 0.800 451 P CB 0.709 32.473 31.700 0.107 0.000 0.772 452 E N -0.147 120.084 120.200 0.053 0.000 2.046 452 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 452 E C 2.271 178.886 176.600 0.026 0.000 0.982 452 E CA 0.923 57.347 56.400 0.040 0.000 0.800 452 E CB -0.162 29.552 29.700 0.023 0.000 0.756 452 E HN 0.292 nan 8.360 nan 0.000 0.449 453 R N -0.543 119.960 120.500 0.005 0.000 2.206 453 R HA 0.088 4.427 4.340 -0.000 0.000 0.198 453 R C 0.002 176.274 176.300 -0.047 0.000 0.986 453 R CA 0.327 56.409 56.100 -0.030 0.000 1.029 453 R CB 0.485 30.751 30.300 -0.057 0.000 0.966 453 R HN 0.010 nan 8.270 nan 0.000 0.487 454 c N 1.300 119.887 118.600 -0.022 0.000 2.322 454 c HA 0.436 5.006 4.570 -0.000 0.000 0.324 454 c C 0.085 174.215 174.090 0.067 0.000 1.249 454 c CA -0.664 55.616 56.329 -0.081 0.000 1.453 454 c CB 1.475 43.875 42.510 -0.183 0.000 2.145 454 c HN 0.525 nan 8.230 nan 0.000 0.466 455 Q N 0.502 120.331 119.800 0.048 0.000 2.081 455 Q HA 0.159 4.499 4.340 -0.000 0.000 0.220 455 Q C -0.980 175.124 176.000 0.172 0.000 0.775 455 Q CA 0.033 55.934 55.803 0.162 0.000 0.983 455 Q CB 1.311 30.147 28.738 0.163 0.000 1.188 455 Q HN 0.794 nan 8.270 nan 0.000 0.458 456 Y N 0.662 120.918 120.300 -0.072 0.000 2.488 456 Y HA 0.378 4.928 4.550 -0.000 0.000 0.330 456 Y C -1.448 174.343 175.900 -0.181 0.000 1.013 456 Y CA -1.016 57.047 58.100 -0.062 0.000 1.304 456 Y CB 0.709 39.125 38.460 -0.073 0.000 1.098 456 Y HN -0.072 nan 8.280 nan 0.000 0.498 457 Y N 1.766 121.990 120.300 -0.127 0.000 2.528 457 Y HA 0.708 5.258 4.550 -0.000 0.000 0.335 457 Y C 0.186 176.040 175.900 -0.077 0.000 1.093 457 Y CA -0.678 57.369 58.100 -0.088 0.000 1.134 457 Y CB 2.202 40.584 38.460 -0.130 0.000 1.253 457 Y HN 0.465 nan 8.280 nan 0.000 0.478 458 S N 0.272 116.061 115.700 0.148 0.000 2.579 458 S HA 0.825 5.295 4.470 -0.000 0.000 0.272 458 S C -1.769 172.907 174.600 0.127 0.000 1.141 458 S CA -0.776 57.498 58.200 0.124 0.000 0.843 458 S CB 1.666 64.947 63.200 0.134 0.000 1.122 458 S HN 0.649 nan 8.310 nan 0.000 0.468 459 V N 0.447 120.441 119.914 0.134 0.000 3.078 459 V HA 0.910 5.030 4.120 -0.000 0.000 0.311 459 V C -1.154 175.038 176.094 0.164 0.000 1.138 459 V CA -0.300 62.061 62.300 0.102 0.000 1.007 459 V CB 2.343 34.173 31.823 0.012 0.000 1.045 459 V HN 1.229 nan 8.190 nan 0.000 0.432 460 S N 3.882 119.664 115.700 0.137 0.000 2.775 460 S HA 0.654 5.124 4.470 -0.000 0.000 0.277 460 S C -1.201 173.573 174.600 0.291 0.000 1.156 460 S CA -0.401 57.977 58.200 0.297 0.000 1.081 460 S CB 0.343 63.750 63.200 0.345 0.000 1.054 460 S HN 0.487 nan 8.310 nan 0.000 0.482 461 F N 2.694 122.724 119.950 0.133 0.000 2.370 461 F HA 0.517 5.044 4.527 -0.000 0.000 0.319 461 F C 1.391 176.802 175.800 -0.648 0.000 1.129 461 F CA -0.304 57.605 58.000 -0.152 0.000 1.109 461 F CB 1.253 40.122 39.000 -0.218 0.000 1.262 461 F HN 0.592 nan 8.300 nan 0.000 0.534 462 S N 0.940 116.104 115.700 -0.893 0.000 2.669 462 S HA 0.257 4.727 4.470 -0.000 0.000 0.270 462 S C 1.058 175.424 174.600 -0.390 0.000 1.225 462 S CA -0.917 56.543 58.200 -1.233 0.000 0.991 462 S CB 1.089 63.495 63.200 -1.323 0.000 0.987 462 S HN 0.481 nan 8.310 nan 0.000 0.552 463 K N 1.021 121.309 120.400 -0.187 0.000 2.090 463 K HA -0.173 4.147 4.320 -0.000 0.000 0.218 463 K C 0.920 177.479 176.600 -0.070 0.000 1.055 463 K CA 1.820 58.080 56.287 -0.044 0.000 0.941 463 K CB -0.540 31.974 32.500 0.023 0.000 0.722 463 K HN 0.692 nan 8.250 nan 0.000 0.458 464 E N -0.945 119.178 120.200 -0.128 0.000 2.496 464 E HA 0.263 4.613 4.350 -0.000 0.000 0.200 464 E C -0.065 176.442 176.600 -0.155 0.000 1.016 464 E CA 0.198 56.530 56.400 -0.113 0.000 0.962 464 E CB 0.477 30.120 29.700 -0.095 0.000 1.071 464 E HN 0.278 nan 8.360 nan 0.000 0.457 465 A N 1.241 123.955 122.820 -0.177 0.000 2.872 465 A HA -0.315 4.005 4.320 -0.000 0.000 0.273 465 A C 1.473 178.975 177.584 -0.136 0.000 1.442 465 A CA 1.596 53.559 52.037 -0.122 0.000 0.801 465 A CB -2.086 16.725 19.000 -0.316 0.000 1.031 465 A HN 0.278 nan 8.150 nan 0.000 0.582 466 K N -1.823 118.399 120.400 -0.296 0.000 2.116 466 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 466 K C 0.152 176.369 176.600 -0.638 0.000 1.052 466 K CA 1.465 57.448 56.287 -0.505 0.000 0.952 466 K CB 0.021 32.094 32.500 -0.712 0.000 0.729 466 K HN 0.668 nan 8.250 nan 0.000 0.446 467 Y N -1.201 118.987 120.300 -0.188 0.000 2.605 467 Y HA 0.333 4.883 4.550 -0.000 0.000 0.343 467 Y C -1.046 174.766 175.900 -0.147 0.000 1.036 467 Y CA -1.388 56.630 58.100 -0.136 0.000 1.065 467 Y CB 1.664 40.076 38.460 -0.081 0.000 1.288 467 Y HN -0.024 nan 8.280 nan 0.000 0.481 468 Y N -1.016 119.264 120.300 -0.034 0.000 2.519 468 Y HA 0.536 5.086 4.550 -0.000 0.000 0.336 468 Y C -1.237 174.648 175.900 -0.025 0.000 1.089 468 Y CA -1.415 56.482 58.100 -0.340 0.000 1.025 468 Y CB 1.428 39.128 38.460 -1.268 0.000 1.318 468 Y HN 0.618 nan 8.280 nan 0.000 0.452 469 Q N 3.890 123.777 119.800 0.145 0.000 2.256 469 Q HA 0.651 4.991 4.340 -0.000 0.000 0.257 469 Q C -1.841 174.219 176.000 0.099 0.000 0.936 469 Q CA -0.787 55.074 55.803 0.096 0.000 0.903 469 Q CB 1.485 30.258 28.738 0.059 0.000 1.263 469 Q HN 0.969 nan 8.270 nan 0.000 0.440 470 L N 3.789 125.081 121.223 0.114 0.000 2.329 470 L HA 0.600 4.940 4.340 -0.000 0.000 0.279 470 L C -0.511 176.384 176.870 0.043 0.000 1.014 470 L CA -0.743 54.174 54.840 0.128 0.000 0.814 470 L CB 1.908 44.068 42.059 0.167 0.000 1.257 470 L HN 0.629 nan 8.230 nan 0.000 0.424 471 R N 1.962 122.444 120.500 -0.029 0.000 2.388 471 R HA 0.353 4.693 4.340 -0.000 0.000 0.314 471 R C -1.085 174.981 176.300 -0.391 0.000 0.959 471 R CA -0.486 55.405 56.100 -0.348 0.000 0.851 471 R CB 1.781 31.944 30.300 -0.228 0.000 1.168 471 R HN 0.598 nan 8.270 nan 0.000 0.472 472 c N 2.925 121.173 118.600 -0.586 0.000 2.325 472 c HA 0.348 4.918 4.570 -0.000 0.000 0.347 472 c C 1.432 175.278 174.090 -0.408 0.000 1.263 472 c CA -0.313 55.617 56.329 -0.664 0.000 1.806 472 c CB 0.031 42.115 42.510 -0.710 0.000 2.405 472 c HN 0.983 nan 8.230 nan 0.000 0.537 473 S N 3.824 119.390 115.700 -0.223 0.000 2.554 473 S HA 0.601 5.071 4.470 -0.000 0.000 0.226 473 S C 0.486 175.054 174.600 -0.054 0.000 0.980 473 S CA 0.220 58.355 58.200 -0.108 0.000 0.939 473 S CB 0.051 63.217 63.200 -0.056 0.000 0.832 473 S HN 1.850 nan 8.310 nan 0.000 0.486 474 G N 1.766 110.526 108.800 -0.067 0.000 2.321 474 G HA2 0.366 4.326 3.960 -0.000 0.000 0.298 474 G HA3 0.366 4.326 3.960 -0.000 0.000 0.298 474 G C -3.034 171.866 174.900 0.001 0.000 1.385 474 G CA -0.510 44.594 45.100 0.007 0.000 0.856 474 G HN -0.125 nan 8.290 nan 0.000 0.584 475 P HA 0.148 nan 4.420 nan 0.000 0.236 475 P C 1.139 178.493 177.300 0.091 0.000 1.177 475 P CA 1.234 64.385 63.100 0.085 0.000 0.773 475 P CB 0.505 32.251 31.700 0.078 0.000 0.878 476 G N 0.292 109.070 108.800 -0.037 0.000 2.537 476 G HA2 0.459 4.419 3.960 -0.000 0.000 0.297 476 G HA3 0.459 4.419 3.960 -0.000 0.000 0.297 476 G C -0.385 174.275 174.900 -0.399 0.000 1.310 476 G CA -0.845 44.147 45.100 -0.180 0.000 1.027 476 G HN 0.020 nan 8.290 nan 0.000 0.505 477 L N 1.229 122.101 121.223 -0.584 0.000 2.540 477 L HA 0.098 4.438 4.340 -0.000 0.000 0.276 477 L C -1.856 174.833 176.870 -0.301 0.000 1.212 477 L CA -1.057 53.409 54.840 -0.622 0.000 0.893 477 L CB 0.343 42.127 42.059 -0.457 0.000 1.138 477 L HN 0.234 nan 8.230 nan 0.000 0.491 478 P HA -0.039 nan 4.420 nan 0.000 0.263 478 P C -0.842 176.375 177.300 -0.139 0.000 1.175 478 P CA 0.150 63.154 63.100 -0.160 0.000 0.761 478 P CB 0.478 32.173 31.700 -0.008 0.000 0.794 479 L N 5.558 126.611 121.223 -0.284 0.000 2.376 479 L HA 0.464 4.804 4.340 -0.000 0.000 0.275 479 L C -1.685 175.004 176.870 -0.301 0.000 0.987 479 L CA -0.675 54.060 54.840 -0.174 0.000 0.828 479 L CB 0.875 42.847 42.059 -0.145 0.000 1.249 479 L HN 0.215 nan 8.230 nan 0.000 0.409 480 Y N 3.056 123.289 120.300 -0.111 0.000 2.342 480 Y HA 0.694 5.244 4.550 -0.000 0.000 0.338 480 Y C 0.556 176.323 175.900 -0.223 0.000 0.965 480 Y CA -0.563 57.447 58.100 -0.150 0.000 1.159 480 Y CB 1.726 40.074 38.460 -0.185 0.000 1.157 480 Y HN 0.672 nan 8.280 nan 0.000 0.486 481 T N 1.548 116.076 114.554 -0.043 0.000 2.916 481 T HA 0.728 5.078 4.350 -0.000 0.000 0.292 481 T C -1.116 173.489 174.700 -0.158 0.000 1.055 481 T CA -0.953 61.069 62.100 -0.130 0.000 1.009 481 T CB 1.923 70.762 68.868 -0.049 0.000 1.118 481 T HN 0.568 nan 8.240 nan 0.000 0.497 482 L N 1.359 122.350 121.223 -0.385 0.000 2.346 482 L HA 0.709 5.049 4.340 -0.000 0.000 0.274 482 L C -1.178 175.304 176.870 -0.647 0.000 1.007 482 L CA -0.812 53.833 54.840 -0.325 0.000 0.818 482 L CB 1.622 43.516 42.059 -0.276 0.000 1.284 482 L HN 0.909 nan 8.230 nan 0.000 0.424 483 H N 0.257 119.049 119.070 -0.464 0.000 2.949 483 H HA 0.462 5.018 4.556 -0.000 0.000 0.356 483 H C -0.795 174.321 175.328 -0.353 0.000 1.212 483 H CA -0.781 54.937 56.048 -0.550 0.000 1.136 483 H CB 1.902 31.061 29.762 -1.005 0.000 1.869 483 H HN 0.428 nan 8.280 nan 0.000 0.556 484 S N -0.116 115.582 115.700 -0.003 0.000 2.456 484 S HA 0.283 4.753 4.470 -0.000 0.000 0.316 484 S C 0.412 175.097 174.600 0.142 0.000 1.089 484 S CA -0.660 57.628 58.200 0.147 0.000 1.101 484 S CB 1.546 64.848 63.200 0.171 0.000 0.995 484 S HN 0.566 nan 8.310 nan 0.000 0.468 485 S N 2.699 118.501 115.700 0.170 0.000 2.359 485 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 485 S C 2.085 176.743 174.600 0.096 0.000 1.039 485 S CA 1.442 59.783 58.200 0.235 0.000 1.042 485 S CB -0.771 62.499 63.200 0.117 0.000 0.915 485 S HN 0.823 nan 8.310 nan 0.000 0.439 486 V N 2.324 122.245 119.914 0.011 0.000 2.243 486 V HA -0.373 3.747 4.120 -0.000 0.000 0.258 486 V C 0.922 177.026 176.094 0.016 0.000 1.073 486 V CA 2.752 65.054 62.300 0.004 0.000 1.069 486 V CB -0.576 31.242 31.823 -0.008 0.000 0.681 486 V HN 0.663 nan 8.190 nan 0.000 0.457 487 N N -1.274 117.445 118.700 0.033 0.000 2.238 487 N HA 0.190 4.930 4.740 -0.000 0.000 0.235 487 N C -0.444 175.093 175.510 0.044 0.000 1.209 487 N CA 0.462 53.528 53.050 0.026 0.000 0.879 487 N CB 0.588 39.091 38.487 0.026 0.000 1.136 487 N HN 0.536 nan 8.380 nan 0.000 0.517 488 D N 0.926 121.384 120.400 0.098 0.000 2.870 488 D HA -0.167 4.473 4.640 -0.000 0.000 0.228 488 D C -0.445 175.928 176.300 0.121 0.000 1.147 488 D CA 1.059 55.157 54.000 0.163 0.000 0.757 488 D CB -0.849 40.008 40.800 0.095 0.000 1.091 488 D HN 0.412 nan 8.370 nan 0.000 0.429 489 K N 0.464 120.913 120.400 0.082 0.000 2.350 489 K HA 0.335 4.655 4.320 -0.000 0.000 0.279 489 K C 1.102 177.708 176.600 0.011 0.000 1.027 489 K CA 0.181 56.494 56.287 0.044 0.000 0.969 489 K CB 0.836 33.352 32.500 0.026 0.000 0.954 489 K HN 0.122 nan 8.250 nan 0.000 0.474 490 G N 3.349 112.135 108.800 -0.023 0.000 2.360 490 G HA2 0.128 4.088 3.960 -0.000 0.000 0.279 490 G HA3 0.128 4.088 3.960 -0.000 0.000 0.279 490 G C 0.828 175.588 174.900 -0.233 0.000 1.189 490 G CA -0.389 44.586 45.100 -0.209 0.000 0.941 490 G HN 0.578 nan 8.290 nan 0.000 0.445 491 L N 1.904 122.927 121.223 -0.333 0.000 2.102 491 L HA 0.277 4.617 4.340 -0.000 0.000 0.202 491 L C 1.604 178.348 176.870 -0.210 0.000 1.076 491 L CA 0.919 55.627 54.840 -0.219 0.000 0.761 491 L CB -0.222 41.709 42.059 -0.214 0.000 0.921 491 L HN 0.750 nan 8.230 nan 0.000 0.444 492 R N -2.365 117.964 120.500 -0.285 0.000 2.829 492 R HA 0.378 4.718 4.340 -0.000 0.000 0.283 492 R C -1.635 174.511 176.300 -0.257 0.000 1.013 492 R CA -0.940 55.028 56.100 -0.221 0.000 0.848 492 R CB 1.332 31.533 30.300 -0.164 0.000 1.291 492 R HN -0.307 nan 8.270 nan 0.000 0.496 493 V N 2.668 122.466 119.914 -0.194 0.000 2.364 493 V HA 0.213 4.333 4.120 -0.000 0.000 0.272 493 V C 1.159 177.113 176.094 -0.233 0.000 1.036 493 V CA -0.451 61.738 62.300 -0.185 0.000 0.880 493 V CB 1.131 32.885 31.823 -0.115 0.000 0.991 493 V HN 0.619 nan 8.190 nan 0.000 0.460 494 L N 2.865 123.869 121.223 -0.365 0.000 2.270 494 L HA 0.283 4.623 4.340 -0.000 0.000 0.210 494 L C 0.674 177.323 176.870 -0.370 0.000 1.104 494 L CA 0.677 55.132 54.840 -0.642 0.000 0.804 494 L CB 0.197 41.398 42.059 -1.431 0.000 0.937 494 L HN 0.659 nan 8.230 nan 0.000 0.450 495 E N -0.155 119.950 120.200 -0.159 0.000 2.506 495 E HA 0.077 4.427 4.350 -0.000 0.000 0.308 495 E C -1.250 175.399 176.600 0.082 0.000 0.931 495 E CA -0.361 56.047 56.400 0.014 0.000 0.800 495 E CB 0.980 30.711 29.700 0.051 0.000 1.292 495 E HN 0.192 nan 8.360 nan 0.000 0.401 496 D N 2.690 123.113 120.400 0.038 0.000 2.469 496 D HA 0.210 4.850 4.640 -0.000 0.000 0.213 496 D C -0.125 176.180 176.300 0.009 0.000 1.135 496 D CA -0.253 53.755 54.000 0.014 0.000 0.834 496 D CB 0.132 40.921 40.800 -0.018 0.000 1.009 496 D HN 0.418 nan 8.370 nan 0.000 0.507 497 N N 0.271 118.994 118.700 0.037 0.000 2.741 497 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 497 N C 0.970 176.481 175.510 0.002 0.000 1.115 497 N CA 0.954 54.020 53.050 0.025 0.000 0.724 497 N CB -1.409 37.081 38.487 0.005 0.000 1.090 497 N HN 0.476 nan 8.380 nan 0.000 0.558 498 S N -0.971 114.731 115.700 0.004 0.000 2.402 498 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 498 S C 2.080 176.688 174.600 0.013 0.000 1.030 498 S CA 1.210 59.410 58.200 -0.000 0.000 1.003 498 S CB -0.195 63.007 63.200 0.002 0.000 0.813 498 S HN 0.549 nan 8.310 nan 0.000 0.477 499 A N 2.161 124.998 122.820 0.029 0.000 1.855 499 A HA 0.096 4.416 4.320 -0.000 0.000 0.215 499 A C 2.236 179.855 177.584 0.059 0.000 1.191 499 A CA 1.526 53.590 52.037 0.045 0.000 0.613 499 A CB -0.944 18.087 19.000 0.053 0.000 0.829 499 A HN 0.529 nan 8.150 nan 0.000 0.442 500 L N 0.549 121.810 121.223 0.063 0.000 2.042 500 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 500 L C 1.924 178.816 176.870 0.038 0.000 1.076 500 L CA 2.958 57.849 54.840 0.085 0.000 0.749 500 L CB -0.789 41.319 42.059 0.081 0.000 0.893 500 L HN 0.495 nan 8.230 nan 0.000 0.432 501 D N -0.755 119.642 120.400 -0.005 0.000 2.123 501 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 501 D C 1.931 178.227 176.300 -0.007 0.000 0.992 501 D CA 1.310 55.291 54.000 -0.032 0.000 0.833 501 D CB 0.061 40.833 40.800 -0.047 0.000 0.954 501 D HN 0.233 nan 8.370 nan 0.000 0.455 502 K N -0.164 120.246 120.400 0.017 0.000 2.057 502 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 502 K C 2.302 178.931 176.600 0.047 0.000 1.050 502 K CA 0.700 57.005 56.287 0.029 0.000 0.935 502 K CB -0.510 32.011 32.500 0.036 0.000 0.715 502 K HN 0.373 nan 8.250 nan 0.000 0.439 503 M N 0.496 120.142 119.600 0.076 0.000 2.159 503 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 503 M C 1.907 178.239 176.300 0.053 0.000 1.063 503 M CA 1.269 56.650 55.300 0.136 0.000 1.110 503 M CB -0.186 32.569 32.600 0.259 0.000 1.374 503 M HN 0.005 nan 8.290 nan 0.000 0.411 504 L N 0.166 121.365 121.223 -0.040 0.000 2.622 504 L HA -0.148 4.192 4.340 -0.000 0.000 0.233 504 L C 2.015 178.846 176.870 -0.064 0.000 1.156 504 L CA 0.493 55.252 54.840 -0.134 0.000 0.866 504 L CB -0.488 41.494 42.059 -0.128 0.000 0.980 504 L HN 0.451 nan 8.230 nan 0.000 0.448 505 Q N -1.101 118.691 119.800 -0.015 0.000 2.425 505 Q HA 0.025 4.365 4.340 -0.000 0.000 0.204 505 Q C 0.797 176.811 176.000 0.022 0.000 0.933 505 Q CA 0.354 56.158 55.803 0.003 0.000 0.939 505 Q CB -0.022 28.722 28.738 0.011 0.000 1.044 505 Q HN 0.517 nan 8.270 nan 0.000 0.513 506 N N 0.945 119.667 118.700 0.036 0.000 2.280 506 N HA 0.078 4.818 4.740 -0.000 0.000 0.192 506 N C -0.442 175.110 175.510 0.070 0.000 1.109 506 N CA 0.170 53.258 53.050 0.064 0.000 0.855 506 N CB 1.638 40.182 38.487 0.096 0.000 0.974 506 N HN 0.041 nan 8.380 nan 0.000 0.482 507 V N 0.929 120.861 119.914 0.030 0.000 2.789 507 V HA 0.238 4.357 4.120 -0.000 0.000 0.311 507 V C -0.988 175.113 176.094 0.011 0.000 1.073 507 V CA -0.755 61.567 62.300 0.037 0.000 0.921 507 V CB 2.420 34.241 31.823 -0.003 0.000 1.009 507 V HN -0.017 nan 8.190 nan 0.000 0.426 508 Q N 6.256 126.072 119.800 0.027 0.000 2.348 508 Q HA 0.334 4.674 4.340 -0.000 0.000 0.251 508 Q C -0.554 175.429 176.000 -0.029 0.000 1.113 508 Q CA -0.129 55.663 55.803 -0.019 0.000 0.902 508 Q CB 0.787 29.502 28.738 -0.039 0.000 1.333 508 Q HN 0.594 nan 8.270 nan 0.000 0.457 509 M N 4.400 123.969 119.600 -0.051 0.000 2.314 509 M HA 0.403 4.883 4.480 -0.000 0.000 0.342 509 M C -1.994 174.254 176.300 -0.087 0.000 1.171 509 M CA -2.499 52.760 55.300 -0.068 0.000 1.098 509 M CB 0.411 32.971 32.600 -0.066 0.000 1.559 509 M HN 0.345 nan 8.290 nan 0.000 0.459 510 P HA 0.273 nan 4.420 nan 0.000 0.276 510 P C -0.813 176.422 177.300 -0.108 0.000 1.261 510 P CA -0.350 62.680 63.100 -0.116 0.000 0.800 510 P CB 0.688 32.309 31.700 -0.133 0.000 1.066 511 S N -0.476 115.153 115.700 -0.119 0.000 2.681 511 S HA 0.586 5.056 4.470 -0.000 0.000 0.299 511 S C -0.437 174.085 174.600 -0.130 0.000 1.113 511 S CA -0.787 57.353 58.200 -0.100 0.000 1.013 511 S CB 1.755 64.902 63.200 -0.087 0.000 1.076 511 S HN 0.536 nan 8.310 nan 0.000 0.534 512 K N 0.396 120.744 120.400 -0.088 0.000 2.324 512 K HA 0.450 4.770 4.320 -0.000 0.000 0.253 512 K C -1.369 175.198 176.600 -0.054 0.000 0.932 512 K CA -0.591 55.649 56.287 -0.079 0.000 0.799 512 K CB 1.412 33.885 32.500 -0.045 0.000 1.154 512 K HN 0.741 nan 8.250 nan 0.000 0.425 513 K N 5.432 125.802 120.400 -0.049 0.000 2.413 513 K HA 0.332 4.652 4.320 -0.000 0.000 0.257 513 K C -1.530 175.109 176.600 0.065 0.000 0.946 513 K CA -0.704 55.580 56.287 -0.004 0.000 0.823 513 K CB 1.132 33.606 32.500 -0.043 0.000 1.109 513 K HN 0.561 nan 8.250 nan 0.000 0.427 514 L N 4.474 125.737 121.223 0.067 0.000 2.319 514 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 514 L C -1.277 175.632 176.870 0.065 0.000 1.005 514 L CA -0.144 54.757 54.840 0.102 0.000 0.828 514 L CB 1.250 43.411 42.059 0.170 0.000 1.227 514 L HN 0.879 nan 8.230 nan 0.000 0.415 515 D N 3.070 123.334 120.400 -0.227 0.000 3.057 515 D HA 0.553 5.193 4.640 -0.000 0.000 0.328 515 D C -1.506 174.407 176.300 -0.645 0.000 1.317 515 D CA 0.060 53.826 54.000 -0.391 0.000 0.973 515 D CB 1.758 42.293 40.800 -0.443 0.000 1.424 515 D HN 0.233 nan 8.370 nan 0.000 0.569 516 F N -0.295 119.204 119.950 -0.751 0.000 2.662 516 F HA 0.705 5.232 4.527 -0.000 0.000 0.312 516 F C -1.018 174.737 175.800 -0.074 0.000 1.113 516 F CA -1.103 56.561 58.000 -0.560 0.000 0.951 516 F CB 0.739 38.987 39.000 -1.253 0.000 1.344 516 F HN 0.345 nan 8.300 nan 0.000 0.462 517 I N -0.250 120.477 120.570 0.262 0.000 3.170 517 I HA 0.759 4.929 4.170 -0.000 0.000 0.312 517 I C -1.435 174.884 176.117 0.336 0.000 1.085 517 I CA -1.405 60.023 61.300 0.214 0.000 0.999 517 I CB 2.555 40.712 38.000 0.262 0.000 1.233 517 I HN 0.641 nan 8.210 nan 0.000 0.467 518 I N 3.575 124.291 120.570 0.244 0.000 2.382 518 I HA 0.405 4.575 4.170 -0.000 0.000 0.286 518 I C -0.857 175.403 176.117 0.240 0.000 1.002 518 I CA -0.445 61.006 61.300 0.253 0.000 1.135 518 I CB 1.668 39.776 38.000 0.180 0.000 1.288 518 I HN 0.355 nan 8.210 nan 0.000 0.448 519 L N 6.784 128.219 121.223 0.353 0.000 2.313 519 L HA 0.370 4.710 4.340 -0.000 0.000 0.283 519 L C 0.266 177.284 176.870 0.247 0.000 1.013 519 L CA -0.940 54.070 54.840 0.283 0.000 0.816 519 L CB 1.402 43.638 42.059 0.294 0.000 1.236 519 L HN 0.772 nan 8.230 nan 0.000 0.419 520 N N 4.167 122.950 118.700 0.139 0.000 2.903 520 N HA -0.307 4.433 4.740 -0.000 0.000 0.296 520 N C 0.070 175.642 175.510 0.103 0.000 1.037 520 N CA 1.115 54.224 53.050 0.098 0.000 0.841 520 N CB -0.376 38.151 38.487 0.067 0.000 0.958 520 N HN 0.897 nan 8.380 nan 0.000 0.605 521 E N -3.467 116.786 120.200 0.089 0.000 4.384 521 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 521 E C -0.248 176.375 176.600 0.040 0.000 0.793 521 E CA 1.838 58.273 56.400 0.058 0.000 2.528 521 E CB -1.695 28.030 29.700 0.041 0.000 1.597 521 E HN 0.735 nan 8.360 nan 0.000 0.616 522 T N 2.813 117.403 114.554 0.061 0.000 2.943 522 T HA 0.485 4.834 4.350 -0.000 0.000 0.284 522 T C 0.168 174.786 174.700 -0.136 0.000 1.015 522 T CA -0.660 61.377 62.100 -0.104 0.000 1.042 522 T CB 1.833 70.532 68.868 -0.282 0.000 1.055 522 T HN 0.119 nan 8.240 nan 0.000 0.500 523 K N 1.975 122.198 120.400 -0.295 0.000 2.263 523 K HA 0.453 4.773 4.320 -0.000 0.000 0.272 523 K C -1.531 174.876 176.600 -0.322 0.000 1.033 523 K CA -0.522 55.659 56.287 -0.177 0.000 0.884 523 K CB 0.580 32.869 32.500 -0.352 0.000 1.107 523 K HN 0.373 nan 8.250 nan 0.000 0.460 524 F N 2.242 122.295 119.950 0.172 0.000 2.427 524 F HA 0.368 4.895 4.527 -0.000 0.000 0.346 524 F C -0.296 175.622 175.800 0.197 0.000 1.120 524 F CA -0.713 57.382 58.000 0.159 0.000 1.033 524 F CB 0.851 39.899 39.000 0.080 0.000 1.126 524 F HN 0.506 nan 8.300 nan 0.000 0.462 525 W N 3.388 124.774 121.300 0.143 0.000 2.283 525 W HA 0.511 5.170 4.660 -0.000 0.000 0.341 525 W C -0.533 176.106 176.519 0.200 0.000 1.206 525 W CA -0.606 56.834 57.345 0.159 0.000 1.294 525 W CB 0.387 29.899 29.460 0.086 0.000 1.154 525 W HN 0.450 nan 8.180 nan 0.000 0.613 526 Y N -1.084 119.552 120.300 0.559 0.000 2.705 526 Y HA 0.647 5.197 4.550 -0.000 0.000 0.332 526 Y C -1.185 174.978 175.900 0.439 0.000 1.221 526 Y CA -2.087 56.346 58.100 0.555 0.000 1.059 526 Y CB 0.984 39.954 38.460 0.850 0.000 1.298 526 Y HN 0.558 nan 8.280 nan 0.000 0.459 527 Q N 1.570 121.770 119.800 0.667 0.000 2.416 527 Q HA 0.779 5.119 4.340 -0.000 0.000 0.281 527 Q C -1.924 174.266 176.000 0.316 0.000 1.067 527 Q CA -1.153 54.888 55.803 0.397 0.000 0.809 527 Q CB 3.378 32.251 28.738 0.225 0.000 1.418 527 Q HN 0.851 nan 8.270 nan 0.000 0.411 528 M N 2.364 122.052 119.600 0.146 0.000 2.326 528 M HA 0.451 4.931 4.480 -0.000 0.000 0.292 528 M C -1.284 174.942 176.300 -0.124 0.000 1.081 528 M CA -0.887 54.380 55.300 -0.056 0.000 0.919 528 M CB 2.312 34.797 32.600 -0.191 0.000 1.634 528 M HN 0.590 nan 8.290 nan 0.000 0.451 529 I N 4.913 125.398 120.570 -0.141 0.000 2.297 529 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 529 I C -0.462 175.506 176.117 -0.248 0.000 1.033 529 I CA -0.259 60.942 61.300 -0.165 0.000 1.253 529 I CB 0.338 38.262 38.000 -0.128 0.000 1.396 529 I HN 0.638 nan 8.210 nan 0.000 0.476 530 L N 8.450 129.483 121.223 -0.318 0.000 2.307 530 L HA 0.447 4.787 4.340 -0.000 0.000 0.282 530 L C -2.161 174.557 176.870 -0.253 0.000 1.051 530 L CA -1.774 52.801 54.840 -0.442 0.000 0.804 530 L CB 1.179 42.791 42.059 -0.746 0.000 1.197 530 L HN 0.263 nan 8.230 nan 0.000 0.431 531 P HA 0.070 nan 4.420 nan 0.000 0.269 531 P C -2.484 174.795 177.300 -0.034 0.000 1.217 531 P CA -0.800 62.264 63.100 -0.060 0.000 0.783 531 P CB -0.093 31.640 31.700 0.056 0.000 0.898 532 P HA -0.003 nan 4.420 nan 0.000 0.267 532 P C -0.576 176.648 177.300 -0.126 0.000 1.200 532 P CA 0.468 63.439 63.100 -0.216 0.000 0.772 532 P CB -0.291 31.181 31.700 -0.381 0.000 0.855 533 H N -1.373 117.738 119.070 0.069 0.000 2.713 533 H HA -0.222 4.334 4.556 -0.000 0.000 0.311 533 H C -0.092 175.294 175.328 0.096 0.000 1.175 533 H CA -0.569 55.520 56.048 0.069 0.000 1.143 533 H CB -2.097 27.695 29.762 0.050 0.000 1.434 533 H HN 0.334 nan 8.280 nan 0.000 0.418 534 F N 2.475 122.440 119.950 0.025 0.000 2.612 534 F HA 0.024 4.551 4.527 -0.000 0.000 0.389 534 F C 0.623 176.435 175.800 0.020 0.000 1.055 534 F CA -0.044 57.914 58.000 -0.070 0.000 1.232 534 F CB 0.464 39.307 39.000 -0.261 0.000 1.044 534 F HN 0.268 nan 8.300 nan 0.000 0.560 535 D N 6.620 126.663 120.400 -0.596 0.000 2.472 535 D HA 0.089 4.729 4.640 -0.000 0.000 0.234 535 D C 0.721 176.638 176.300 -0.639 0.000 1.088 535 D CA -0.486 53.267 54.000 -0.410 0.000 0.882 535 D CB 0.925 41.645 40.800 -0.133 0.000 1.037 535 D HN 0.727 nan 8.370 nan 0.000 0.520 536 K N 0.904 120.956 120.400 -0.580 0.000 2.520 536 K HA -0.155 4.165 4.320 -0.000 0.000 0.197 536 K C 1.261 177.911 176.600 0.083 0.000 1.044 536 K CA 1.276 57.477 56.287 -0.144 0.000 0.938 536 K CB -0.057 32.583 32.500 0.234 0.000 0.767 536 K HN 0.184 nan 8.250 nan 0.000 0.481 537 S N -0.118 115.571 115.700 -0.018 0.000 2.470 537 S HA 0.058 4.528 4.470 -0.000 0.000 0.222 537 S C 0.592 175.186 174.600 -0.009 0.000 1.024 537 S CA -0.397 57.808 58.200 0.008 0.000 0.931 537 S CB 0.045 63.234 63.200 -0.018 0.000 0.791 537 S HN 0.228 nan 8.310 nan 0.000 0.513 538 K N 1.201 121.573 120.400 -0.048 0.000 2.102 538 K HA 0.358 4.678 4.320 -0.000 0.000 0.244 538 K C -0.496 176.061 176.600 -0.072 0.000 1.021 538 K CA -0.257 55.946 56.287 -0.142 0.000 0.913 538 K CB 0.427 32.722 32.500 -0.341 0.000 1.062 538 K HN 0.113 nan 8.250 nan 0.000 0.485 539 K N 2.233 122.524 120.400 -0.180 0.000 2.449 539 K HA 0.220 4.540 4.320 -0.000 0.000 0.257 539 K C -1.207 175.299 176.600 -0.156 0.000 0.989 539 K CA -0.433 55.819 56.287 -0.058 0.000 0.916 539 K CB 0.747 33.209 32.500 -0.063 0.000 1.136 539 K HN 0.356 nan 8.250 nan 0.000 0.439 540 Y N 2.185 122.499 120.300 0.024 0.000 2.307 540 Y HA 0.248 4.798 4.550 -0.000 0.000 0.324 540 Y C -2.018 173.808 175.900 -0.123 0.000 1.238 540 Y CA -2.529 55.560 58.100 -0.018 0.000 1.280 540 Y CB 0.266 38.779 38.460 0.087 0.000 1.248 540 Y HN 0.443 nan 8.280 nan 0.000 0.508 541 P HA 0.265 nan 4.420 nan 0.000 0.278 541 P C -1.222 175.910 177.300 -0.280 0.000 1.238 541 P CA -0.430 62.343 63.100 -0.545 0.000 0.794 541 P CB 0.890 31.846 31.700 -1.241 0.000 0.955 542 L N 3.134 124.251 121.223 -0.178 0.000 2.362 542 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 542 L C -1.291 175.776 176.870 0.329 0.000 0.998 542 L CA -0.794 54.097 54.840 0.086 0.000 0.820 542 L CB 1.173 43.276 42.059 0.074 0.000 1.270 542 L HN 0.215 nan 8.230 nan 0.000 0.415 543 L N 6.228 127.656 121.223 0.342 0.000 2.298 543 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 543 L C -1.344 175.741 176.870 0.357 0.000 1.013 543 L CA -0.699 54.384 54.840 0.405 0.000 0.824 543 L CB 1.684 43.926 42.059 0.305 0.000 1.221 543 L HN 0.628 nan 8.230 nan 0.000 0.418 544 L N 5.571 127.056 121.223 0.436 0.000 2.265 544 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 544 L C -0.215 176.897 176.870 0.403 0.000 1.058 544 L CA 0.195 55.282 54.840 0.411 0.000 0.809 544 L CB 0.781 43.129 42.059 0.481 0.000 1.179 544 L HN 0.537 nan 8.230 nan 0.000 0.429 545 D N 4.503 125.114 120.400 0.351 0.000 2.359 545 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 545 D C -1.037 175.357 176.300 0.157 0.000 1.118 545 D CA 0.045 54.187 54.000 0.237 0.000 0.844 545 D CB 1.393 42.389 40.800 0.325 0.000 1.059 545 D HN 0.358 nan 8.370 nan 0.000 0.493 546 V N 5.268 125.206 119.914 0.041 0.000 2.864 546 V HA 0.475 4.595 4.120 -0.000 0.000 0.314 546 V C -1.032 175.174 176.094 0.187 0.000 1.073 546 V CA -0.355 62.033 62.300 0.148 0.000 0.956 546 V CB 1.927 33.841 31.823 0.152 0.000 1.023 546 V HN 0.653 nan 8.190 nan 0.000 0.435 547 Y N 4.295 124.676 120.300 0.136 0.000 3.284 547 Y HA 0.578 5.128 4.550 -0.000 0.000 0.165 547 Y C 1.438 177.494 175.900 0.260 0.000 0.881 547 Y CA 1.361 59.569 58.100 0.179 0.000 1.837 547 Y CB 0.004 38.545 38.460 0.136 0.000 1.398 547 Y HN 1.154 nan 8.280 nan 0.000 0.336 548 A N 0.825 123.799 122.820 0.256 0.000 2.887 548 A HA -0.129 4.191 4.320 -0.000 0.000 0.257 548 A C 0.888 178.343 177.584 -0.216 0.000 1.372 548 A CA 0.971 53.087 52.037 0.132 0.000 0.879 548 A CB -2.424 16.713 19.000 0.228 0.000 1.082 548 A HN 1.031 nan 8.150 nan 0.000 0.703 549 G N -0.311 108.092 108.800 -0.661 0.000 2.606 549 G HA2 0.497 4.457 3.960 -0.000 0.000 0.252 549 G HA3 0.497 4.457 3.960 -0.000 0.000 0.252 549 G C -1.785 172.778 174.900 -0.562 0.000 1.206 549 G CA -0.629 43.636 45.100 -1.393 0.000 0.861 549 G HN 0.411 nan 8.290 nan 0.000 0.561 550 P HA -0.005 nan 4.420 nan 0.000 0.261 550 P C 0.652 177.820 177.300 -0.220 0.000 1.183 550 P CA 0.296 63.140 63.100 -0.425 0.000 0.761 550 P CB 0.749 31.880 31.700 -0.948 0.000 0.785 551 C N 2.276 121.527 119.300 -0.081 0.000 4.475 551 C HA -0.143 4.317 4.460 -0.000 0.000 0.280 551 C C 1.074 176.116 174.990 0.086 0.000 1.338 551 C CA 1.129 60.081 59.018 -0.109 0.000 1.893 551 C CB -2.564 24.958 27.740 -0.363 0.000 1.299 551 C HN 0.826 nan 8.230 nan 0.000 0.767 552 S N -0.123 115.690 115.700 0.188 0.000 2.707 552 S HA 0.654 5.124 4.470 -0.000 0.000 0.276 552 S C -0.624 174.157 174.600 0.301 0.000 1.179 552 S CA 0.055 58.455 58.200 0.334 0.000 0.992 552 S CB 1.674 65.153 63.200 0.465 0.000 1.030 552 S HN 0.822 nan 8.310 nan 0.000 0.554 553 Q N -0.322 119.662 119.800 0.307 0.000 2.406 553 Q HA 0.326 4.666 4.340 -0.000 0.000 0.244 553 Q C -0.925 175.191 176.000 0.192 0.000 0.884 553 Q CA -0.542 55.420 55.803 0.266 0.000 0.813 553 Q CB 0.992 29.931 28.738 0.334 0.000 1.368 553 Q HN 0.638 nan 8.270 nan 0.000 0.439 554 K N 0.974 121.492 120.400 0.196 0.000 2.358 554 K HA 0.351 4.671 4.320 -0.000 0.000 0.197 554 K C -0.494 176.215 176.600 0.181 0.000 1.025 554 K CA 0.251 56.645 56.287 0.179 0.000 1.104 554 K CB 1.462 34.100 32.500 0.231 0.000 0.855 554 K HN 0.470 nan 8.250 nan 0.000 0.531 555 A N 2.397 125.325 122.820 0.180 0.000 2.360 555 A HA 0.463 4.783 4.320 -0.000 0.000 0.309 555 A C -0.944 176.708 177.584 0.113 0.000 1.311 555 A CA -0.645 51.503 52.037 0.184 0.000 0.805 555 A CB 0.235 19.392 19.000 0.262 0.000 1.144 555 A HN 0.225 nan 8.150 nan 0.000 0.486 556 D N -0.182 120.267 120.400 0.082 0.000 2.744 556 D HA 0.498 5.138 4.640 -0.000 0.000 0.304 556 D C 0.382 176.713 176.300 0.050 0.000 1.179 556 D CA 0.168 54.207 54.000 0.065 0.000 1.024 556 D CB 0.512 41.331 40.800 0.032 0.000 1.453 556 D HN 0.131 nan 8.370 nan 0.000 0.529 557 T N -2.313 112.295 114.554 0.090 0.000 3.223 557 T HA 0.324 4.674 4.350 -0.000 0.000 0.259 557 T C 0.250 174.948 174.700 -0.004 0.000 1.015 557 T CA -0.431 61.720 62.100 0.084 0.000 0.908 557 T CB -0.654 68.309 68.868 0.159 0.000 1.054 557 T HN 0.245 nan 8.240 nan 0.000 0.567 558 V N 2.573 122.380 119.914 -0.178 0.000 2.530 558 V HA 0.356 4.476 4.120 -0.000 0.000 0.282 558 V C 0.033 176.082 176.094 -0.075 0.000 1.048 558 V CA -1.074 61.079 62.300 -0.245 0.000 0.997 558 V CB 0.314 31.848 31.823 -0.481 0.000 0.987 558 V HN 0.588 nan 8.190 nan 0.000 0.477 559 F N 6.697 126.566 119.950 -0.136 0.000 2.445 559 F HA 0.511 5.038 4.527 -0.000 0.000 0.359 559 F C 0.534 176.285 175.800 -0.081 0.000 1.101 559 F CA -0.092 57.851 58.000 -0.095 0.000 1.177 559 F CB 0.162 39.114 39.000 -0.081 0.000 1.110 559 F HN 0.429 nan 8.300 nan 0.000 0.522 560 R N 5.867 125.900 120.500 -0.779 0.000 2.686 560 R HA 0.550 4.890 4.340 -0.000 0.000 0.283 560 R C -1.882 174.013 176.300 -0.675 0.000 0.978 560 R CA -1.250 54.526 56.100 -0.540 0.000 0.897 560 R CB 1.976 32.121 30.300 -0.259 0.000 1.192 560 R HN 0.498 nan 8.270 nan 0.000 0.457 561 L N 4.148 125.143 121.223 -0.381 0.000 2.356 561 L HA 0.315 4.655 4.340 -0.000 0.000 0.264 561 L C -0.769 176.075 176.870 -0.043 0.000 1.029 561 L CA -0.319 54.348 54.840 -0.289 0.000 0.897 561 L CB 0.376 42.381 42.059 -0.089 0.000 1.256 561 L HN 0.734 nan 8.230 nan 0.000 0.444 562 N N 0.077 118.683 118.700 -0.158 0.000 3.455 562 N HA 0.203 4.943 4.740 -0.000 0.000 0.358 562 N C 0.545 175.692 175.510 -0.605 0.000 1.580 562 N CA -0.733 52.123 53.050 -0.323 0.000 0.692 562 N CB -0.150 38.271 38.487 -0.111 0.000 1.978 562 N HN 0.175 nan 8.380 nan 0.000 0.651 563 W N 0.505 121.216 121.300 -0.982 0.000 2.358 563 W HA 0.181 4.841 4.660 -0.000 0.000 0.303 563 W C 2.149 178.624 176.519 -0.074 0.000 1.208 563 W CA 2.697 59.716 57.345 -0.543 0.000 1.274 563 W CB -1.069 28.265 29.460 -0.211 0.000 1.138 563 W HN 0.674 nan 8.180 nan 0.000 0.515 564 A N -0.279 122.535 122.820 -0.010 0.000 1.917 564 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 564 A C 1.970 179.464 177.584 -0.149 0.000 1.182 564 A CA 2.861 54.831 52.037 -0.113 0.000 0.633 564 A CB -1.401 17.599 19.000 0.000 0.000 0.819 564 A HN 0.306 nan 8.150 nan 0.000 0.448 565 T N -1.195 113.282 114.554 -0.129 0.000 2.665 565 T HA -0.252 4.097 4.350 -0.000 0.000 0.268 565 T C 1.800 176.528 174.700 0.048 0.000 1.035 565 T CA 1.921 63.929 62.100 -0.153 0.000 1.151 565 T CB -0.539 68.090 68.868 -0.398 0.000 0.862 565 T HN 0.690 nan 8.240 nan 0.000 0.438 566 Y N 2.026 122.402 120.300 0.127 0.000 2.145 566 Y HA -0.046 4.504 4.550 -0.000 0.000 0.286 566 Y C 2.005 177.898 175.900 -0.012 0.000 1.145 566 Y CA 0.965 59.172 58.100 0.179 0.000 1.148 566 Y CB -0.756 37.800 38.460 0.160 0.000 0.981 566 Y HN 0.128 nan 8.280 nan 0.000 0.507 567 L N 0.233 121.041 121.223 -0.692 0.000 2.042 567 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 567 L C 2.829 179.447 176.870 -0.420 0.000 1.076 567 L CA 1.391 55.766 54.840 -0.775 0.000 0.749 567 L CB -1.076 40.594 42.059 -0.647 0.000 0.893 567 L HN 0.433 nan 8.230 nan 0.000 0.432 568 A N -1.018 121.642 122.820 -0.268 0.000 1.854 568 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 568 A C 2.535 180.048 177.584 -0.118 0.000 1.192 568 A CA 1.805 53.744 52.037 -0.163 0.000 0.611 568 A CB -0.675 18.233 19.000 -0.153 0.000 0.832 568 A HN 0.351 nan 8.150 nan 0.000 0.442 569 S N -1.316 114.329 115.700 -0.091 0.000 2.368 569 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 569 S C 1.989 176.578 174.600 -0.018 0.000 1.029 569 S CA 2.289 60.475 58.200 -0.024 0.000 0.988 569 S CB -0.409 62.838 63.200 0.079 0.000 0.838 569 S HN 0.570 nan 8.310 nan 0.000 0.462 570 T N 1.277 115.787 114.554 -0.073 0.000 2.925 570 T HA 0.166 4.516 4.350 -0.000 0.000 0.245 570 T C 1.362 175.998 174.700 -0.107 0.000 1.025 570 T CA 0.609 62.677 62.100 -0.054 0.000 1.149 570 T CB -0.183 68.705 68.868 0.034 0.000 0.866 570 T HN 0.295 nan 8.240 nan 0.000 0.437 571 E N 1.471 121.515 120.200 -0.259 0.000 2.489 571 E HA 0.129 4.479 4.350 -0.000 0.000 0.193 571 E C -0.123 176.443 176.600 -0.055 0.000 1.057 571 E CA -0.080 56.228 56.400 -0.153 0.000 0.866 571 E CB -0.565 28.996 29.700 -0.231 0.000 0.916 571 E HN 0.482 nan 8.360 nan 0.000 0.500 572 N N 0.672 119.348 118.700 -0.040 0.000 2.705 572 N HA -0.203 4.537 4.740 -0.000 0.000 0.255 572 N C -0.924 174.661 175.510 0.125 0.000 1.008 572 N CA 0.455 53.547 53.050 0.070 0.000 0.742 572 N CB -1.264 37.296 38.487 0.122 0.000 0.906 572 N HN 0.255 nan 8.380 nan 0.000 0.541 573 I N 0.457 121.044 120.570 0.028 0.000 2.441 573 I HA 0.375 4.545 4.170 -0.000 0.000 0.295 573 I C 0.492 176.608 176.117 -0.002 0.000 0.994 573 I CA -0.926 60.410 61.300 0.060 0.000 1.144 573 I CB 1.491 39.542 38.000 0.086 0.000 1.314 573 I HN 0.025 nan 8.210 nan 0.000 0.445 574 I N 6.283 126.861 120.570 0.013 0.000 2.352 574 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 574 I C -0.417 175.678 176.117 -0.036 0.000 1.036 574 I CA -0.452 60.798 61.300 -0.084 0.000 1.336 574 I CB 1.023 38.957 38.000 -0.109 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.497 575 V N 6.709 126.586 119.914 -0.061 0.000 2.347 575 V HA 0.640 4.760 4.120 -0.000 0.000 0.280 575 V C 0.340 176.435 176.094 0.002 0.000 1.021 575 V CA -0.436 61.875 62.300 0.018 0.000 0.847 575 V CB 1.109 32.943 31.823 0.019 0.000 0.990 575 V HN 0.832 nan 8.190 nan 0.000 0.444 576 A N 3.958 126.797 122.820 0.033 0.000 2.356 576 A HA 0.937 5.257 4.320 -0.000 0.000 0.323 576 A C -0.207 177.519 177.584 0.236 0.000 1.119 576 A CA -0.519 51.523 52.037 0.008 0.000 0.790 576 A CB 1.811 20.561 19.000 -0.417 0.000 1.273 576 A HN 0.674 nan 8.150 nan 0.000 0.452 577 S N -0.151 115.753 115.700 0.339 0.000 2.568 577 S HA 0.793 5.263 4.470 -0.000 0.000 0.293 577 S C -1.459 173.525 174.600 0.640 0.000 1.089 577 S CA -0.288 58.168 58.200 0.427 0.000 0.945 577 S CB 1.321 64.710 63.200 0.316 0.000 1.077 577 S HN 0.756 nan 8.310 nan 0.000 0.485 578 F N 1.832 122.031 119.950 0.416 0.000 2.573 578 F HA 0.404 4.931 4.527 -0.000 0.000 0.316 578 F C -1.613 174.400 175.800 0.354 0.000 1.148 578 F CA -0.718 57.543 58.000 0.435 0.000 0.940 578 F CB 1.413 40.631 39.000 0.363 0.000 1.214 578 F HN 0.393 nan 8.300 nan 0.000 0.448 579 D N 4.909 125.156 120.400 -0.256 0.000 2.428 579 D HA 0.376 5.016 4.640 -0.000 0.000 0.221 579 D C 0.378 176.485 176.300 -0.321 0.000 1.123 579 D CA 0.188 54.114 54.000 -0.123 0.000 0.869 579 D CB 1.510 42.355 40.800 0.075 0.000 1.032 579 D HN 0.758 nan 8.370 nan 0.000 0.506 580 G N 1.416 110.132 108.800 -0.140 0.000 2.849 580 G HA2 0.274 4.234 3.960 -0.000 0.000 0.174 580 G HA3 0.274 4.234 3.960 -0.000 0.000 0.174 580 G C 0.078 175.057 174.900 0.131 0.000 1.370 580 G CA -0.597 44.475 45.100 -0.046 0.000 1.040 580 G HN 0.234 nan 8.290 nan 0.000 0.582 581 R N -0.550 119.986 120.500 0.060 0.000 2.585 581 R HA 0.402 4.742 4.340 -0.000 0.000 0.275 581 R C 1.263 177.660 176.300 0.162 0.000 1.018 581 R CA 1.863 58.049 56.100 0.143 0.000 1.072 581 R CB 0.469 30.826 30.300 0.095 0.000 0.953 581 R HN 1.227 nan 8.270 nan 0.000 0.419 582 G N 1.180 110.070 108.800 0.150 0.000 2.279 582 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.223 582 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.223 582 G C 0.207 175.155 174.900 0.080 0.000 1.015 582 G CA 0.105 45.277 45.100 0.120 0.000 0.621 582 G HN 0.645 nan 8.290 nan 0.000 0.506 583 S N 0.873 116.634 115.700 0.101 0.000 2.560 583 S HA 0.470 4.940 4.470 -0.000 0.000 0.276 583 S C 0.995 175.604 174.600 0.015 0.000 1.350 583 S CA 0.559 58.813 58.200 0.089 0.000 1.024 583 S CB 0.995 64.275 63.200 0.133 0.000 0.864 583 S HN 1.405 nan 8.310 nan 0.000 0.536 584 G N -0.598 108.182 108.800 -0.033 0.000 2.667 584 G HA2 0.524 4.484 3.960 -0.000 0.000 0.310 584 G HA3 0.524 4.484 3.960 -0.000 0.000 0.310 584 G C -1.056 173.737 174.900 -0.178 0.000 1.259 584 G CA -0.786 44.154 45.100 -0.266 0.000 1.019 584 G HN 0.761 nan 8.290 nan 0.000 0.496 585 Y N -2.193 118.114 120.300 0.011 0.000 4.604 585 Y HA -0.222 4.328 4.550 -0.000 0.000 0.230 585 Y C 1.516 177.412 175.900 -0.006 0.000 1.066 585 Y CA 1.145 59.251 58.100 0.010 0.000 1.990 585 Y CB -2.064 36.420 38.460 0.039 0.000 1.619 585 Y HN 0.550 nan 8.280 nan 0.000 0.649 586 Q N -0.280 119.529 119.800 0.015 0.000 2.127 586 Q HA 0.492 4.832 4.340 -0.000 0.000 0.222 586 Q C 0.997 176.900 176.000 -0.162 0.000 0.794 586 Q CA 0.263 56.072 55.803 0.010 0.000 1.010 586 Q CB 1.712 30.449 28.738 -0.001 0.000 1.170 586 Q HN 0.569 nan 8.270 nan 0.000 0.479 587 G N 0.745 109.327 108.800 -0.364 0.000 2.619 587 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.686 587 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.686 587 G C -0.603 173.928 174.900 -0.615 0.000 1.256 587 G CA -0.563 44.048 45.100 -0.816 0.000 0.826 587 G HN 0.065 nan 8.290 nan 0.000 0.619 588 D N -0.200 119.777 120.400 -0.704 0.000 2.178 588 D HA -0.043 4.596 4.640 -0.000 0.000 0.202 588 D C 2.244 178.225 176.300 -0.532 0.000 0.974 588 D CA 1.346 54.890 54.000 -0.761 0.000 0.841 588 D CB 0.031 40.327 40.800 -0.841 0.000 0.953 588 D HN 0.569 nan 8.370 nan 0.000 0.478 589 K N 0.465 120.629 120.400 -0.394 0.000 2.032 589 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 589 K C 2.074 178.591 176.600 -0.138 0.000 1.048 589 K CA 0.989 57.143 56.287 -0.221 0.000 0.927 589 K CB -0.112 32.284 32.500 -0.173 0.000 0.712 589 K HN 0.109 nan 8.250 nan 0.000 0.441 590 I N 0.520 121.006 120.570 -0.140 0.000 2.233 590 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 590 I C 2.693 178.812 176.117 0.004 0.000 1.093 590 I CA 1.057 62.349 61.300 -0.013 0.000 1.380 590 I CB -0.139 37.862 38.000 0.002 0.000 1.067 590 I HN 0.336 nan 8.210 nan 0.000 0.413 591 M N 0.019 119.564 119.600 -0.091 0.000 2.132 591 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 591 M C 1.834 178.215 176.300 0.135 0.000 1.065 591 M CA 1.943 57.232 55.300 -0.018 0.000 1.122 591 M CB -0.286 32.227 32.600 -0.146 0.000 1.365 591 M HN 0.271 nan 8.290 nan 0.000 0.411 592 H N -0.705 118.269 119.070 -0.159 0.000 2.533 592 H HA 0.189 4.745 4.556 -0.000 0.000 0.271 592 H C 1.791 177.131 175.328 0.020 0.000 1.000 592 H CA 0.071 56.035 56.048 -0.140 0.000 1.149 592 H CB 0.207 29.788 29.762 -0.302 0.000 1.375 592 H HN 0.519 nan 8.280 nan 0.000 0.582 593 A N 1.553 124.464 122.820 0.152 0.000 2.019 593 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 593 A C 2.008 179.754 177.584 0.271 0.000 1.164 593 A CA 1.046 53.161 52.037 0.131 0.000 0.644 593 A CB -0.604 18.423 19.000 0.046 0.000 0.805 593 A HN 0.572 nan 8.150 nan 0.000 0.449 594 I N -3.299 117.437 120.570 0.277 0.000 3.891 594 I HA 0.187 4.357 4.170 -0.000 0.000 0.331 594 I C 0.297 176.517 176.117 0.173 0.000 1.406 594 I CA -0.535 60.917 61.300 0.254 0.000 1.139 594 I CB -0.579 37.541 38.000 0.202 0.000 1.056 594 I HN 0.194 nan 8.210 nan 0.000 0.399 595 N N 2.861 121.693 118.700 0.219 0.000 2.357 595 N HA -0.063 4.677 4.740 -0.000 0.000 0.257 595 N C 0.336 175.884 175.510 0.064 0.000 1.250 595 N CA 0.331 53.503 53.050 0.204 0.000 0.862 595 N CB 0.368 38.941 38.487 0.142 0.000 1.066 595 N HN 0.406 nan 8.380 nan 0.000 0.468 596 R N 0.156 120.669 120.500 0.023 0.000 4.024 596 R HA -0.219 4.121 4.340 -0.000 0.000 0.391 596 R C -0.181 176.016 176.300 -0.172 0.000 1.157 596 R CA 1.096 57.165 56.100 -0.052 0.000 1.215 596 R CB -0.791 29.491 30.300 -0.029 0.000 1.738 596 R HN 0.528 nan 8.270 nan 0.000 0.566 597 R N 1.062 121.456 120.500 -0.176 0.000 2.886 597 R HA 0.361 4.701 4.340 -0.000 0.000 0.306 597 R C -0.608 175.670 176.300 -0.036 0.000 1.300 597 R CA -0.237 55.620 56.100 -0.405 0.000 1.441 597 R CB 0.401 30.486 30.300 -0.358 0.000 1.328 597 R HN 0.078 nan 8.270 nan 0.000 0.629 598 L N -0.192 121.097 121.223 0.110 0.000 2.439 598 L HA 0.277 4.617 4.340 -0.000 0.000 0.269 598 L C 1.160 178.256 176.870 0.377 0.000 1.179 598 L CA 0.751 55.667 54.840 0.126 0.000 0.828 598 L CB 0.815 42.718 42.059 -0.261 0.000 1.106 598 L HN 0.746 nan 8.230 nan 0.000 0.467 599 G N 1.034 110.076 108.800 0.402 0.000 2.149 599 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.235 599 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.235 599 G C 0.356 175.334 174.900 0.131 0.000 1.018 599 G CA 0.483 45.784 45.100 0.336 0.000 0.728 599 G HN 0.845 nan 8.290 nan 0.000 0.508 600 T N -3.861 110.734 114.554 0.067 0.000 3.216 600 T HA 0.456 4.806 4.350 -0.000 0.000 0.167 600 T C 1.613 176.258 174.700 -0.092 0.000 0.905 600 T CA 0.877 62.903 62.100 -0.123 0.000 1.042 600 T CB 0.007 68.629 68.868 -0.410 0.000 1.787 600 T HN 0.182 nan 8.240 nan 0.000 0.355 601 F N 3.533 123.526 119.950 0.072 0.000 2.161 601 F HA 0.031 4.557 4.527 -0.000 0.000 0.300 601 F C 2.814 178.655 175.800 0.068 0.000 1.089 601 F CA 1.445 59.477 58.000 0.053 0.000 1.282 601 F CB -0.614 38.413 39.000 0.044 0.000 1.010 601 F HN 0.535 nan 8.300 nan 0.000 0.485 602 E N 0.822 121.183 120.200 0.268 0.000 2.204 602 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 602 E C 2.268 178.984 176.600 0.192 0.000 0.989 602 E CA 1.599 58.137 56.400 0.230 0.000 0.824 602 E CB -1.082 28.761 29.700 0.238 0.000 0.756 602 E HN 0.381 nan 8.360 nan 0.000 0.477 603 V N 0.446 120.439 119.914 0.132 0.000 2.599 603 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 603 V C 1.961 178.094 176.094 0.066 0.000 1.046 603 V CA 1.445 63.781 62.300 0.061 0.000 1.065 603 V CB -0.114 31.683 31.823 -0.044 0.000 0.703 603 V HN 0.105 nan 8.190 nan 0.000 0.464 604 E N 0.182 120.432 120.200 0.083 0.000 2.077 604 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 604 E C 1.841 178.489 176.600 0.080 0.000 0.989 604 E CA 1.797 58.247 56.400 0.083 0.000 0.800 604 E CB -0.171 29.604 29.700 0.125 0.000 0.746 604 E HN 0.642 nan 8.360 nan 0.000 0.452 605 D N 0.089 120.559 120.400 0.116 0.000 2.219 605 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 605 D C 1.829 178.169 176.300 0.067 0.000 0.970 605 D CA 0.747 54.805 54.000 0.097 0.000 0.851 605 D CB -0.018 40.894 40.800 0.186 0.000 0.943 605 D HN -0.010 nan 8.370 nan 0.000 0.488 606 Q N -0.105 119.778 119.800 0.138 0.000 2.172 606 Q HA 0.078 4.418 4.340 -0.000 0.000 0.200 606 Q C 1.937 178.017 176.000 0.133 0.000 0.964 606 Q CA 0.723 56.621 55.803 0.159 0.000 0.855 606 Q CB -0.011 28.831 28.738 0.174 0.000 0.918 606 Q HN 0.340 nan 8.270 nan 0.000 0.444 607 I N -0.137 120.511 120.570 0.130 0.000 2.233 607 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 607 I C 2.093 178.205 176.117 -0.008 0.000 1.093 607 I CA 1.111 62.530 61.300 0.198 0.000 1.380 607 I CB -0.195 37.899 38.000 0.157 0.000 1.067 607 I HN 0.197 nan 8.210 nan 0.000 0.413 608 E N 1.630 121.770 120.200 -0.100 0.000 2.085 608 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 608 E C 2.098 178.452 176.600 -0.410 0.000 0.994 608 E CA 1.754 58.028 56.400 -0.209 0.000 0.801 608 E CB -0.194 29.392 29.700 -0.190 0.000 0.743 608 E HN 0.417 nan 8.360 nan 0.000 0.453 609 A N 0.744 123.184 122.820 -0.634 0.000 1.908 609 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 609 A C 2.459 179.591 177.584 -0.753 0.000 1.181 609 A CA 2.291 53.676 52.037 -1.087 0.000 0.627 609 A CB -1.089 17.125 19.000 -1.311 0.000 0.818 609 A HN 0.395 nan 8.150 nan 0.000 0.445 610 A N -0.207 122.456 122.820 -0.261 0.000 1.883 610 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 610 A C 2.242 179.713 177.584 -0.187 0.000 1.186 610 A CA 1.672 53.657 52.037 -0.086 0.000 0.624 610 A CB -0.500 18.381 19.000 -0.197 0.000 0.822 610 A HN 0.562 nan 8.150 nan 0.000 0.444 611 R N -0.755 119.601 120.500 -0.240 0.000 2.083 611 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 611 R C 2.437 178.601 176.300 -0.226 0.000 1.137 611 R CA 1.553 57.529 56.100 -0.208 0.000 0.951 611 R CB -0.321 29.871 30.300 -0.179 0.000 0.851 611 R HN 0.552 nan 8.270 nan 0.000 0.434 612 Q N -0.325 119.271 119.800 -0.340 0.000 2.170 612 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 612 Q C 1.991 177.811 176.000 -0.300 0.000 0.976 612 Q CA 1.419 57.009 55.803 -0.355 0.000 0.858 612 Q CB -0.156 28.288 28.738 -0.490 0.000 0.907 612 Q HN 0.297 nan 8.270 nan 0.000 0.433 613 F N 1.174 120.978 119.950 -0.243 0.000 2.128 613 F HA -0.126 4.401 4.527 -0.000 0.000 0.295 613 F C 2.764 178.390 175.800 -0.290 0.000 1.100 613 F CA 1.168 59.016 58.000 -0.253 0.000 1.260 613 F CB -1.254 37.638 39.000 -0.181 0.000 1.009 613 F HN 0.088 nan 8.300 nan 0.000 0.476 614 S N -0.052 115.628 115.700 -0.034 0.000 2.383 614 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 614 S C 1.543 176.039 174.600 -0.175 0.000 1.030 614 S CA 1.073 59.202 58.200 -0.117 0.000 1.002 614 S CB -0.519 62.612 63.200 -0.116 0.000 0.829 614 S HN 0.178 nan 8.310 nan 0.000 0.467 615 K N 0.733 121.035 120.400 -0.164 0.000 2.551 615 K HA 0.334 4.654 4.320 -0.000 0.000 0.204 615 K C 0.816 177.306 176.600 -0.184 0.000 1.033 615 K CA 0.105 56.299 56.287 -0.155 0.000 1.187 615 K CB -0.352 32.074 32.500 -0.123 0.000 0.900 615 K HN 0.571 nan 8.250 nan 0.000 0.499 616 M N -1.318 118.100 119.600 -0.303 0.000 2.382 616 M HA 0.083 4.563 4.480 -0.000 0.000 0.247 616 M C 1.025 177.028 176.300 -0.496 0.000 1.104 616 M CA 0.475 55.544 55.300 -0.384 0.000 1.030 616 M CB 0.610 32.897 32.600 -0.522 0.000 1.424 616 M HN 0.413 nan 8.290 nan 0.000 0.486 617 G N 1.302 109.840 108.800 -0.437 0.000 2.490 617 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.214 617 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.214 617 G C 0.413 175.208 174.900 -0.174 0.000 1.151 617 G CA 0.181 45.129 45.100 -0.254 0.000 0.684 617 G HN 0.493 nan 8.290 nan 0.000 0.518 618 F N 1.830 121.853 119.950 0.122 0.000 2.697 618 F HA 0.723 5.250 4.527 -0.000 0.000 0.297 618 F C 0.207 176.133 175.800 0.210 0.000 1.203 618 F CA -1.044 57.072 58.000 0.192 0.000 1.421 618 F CB -0.130 39.069 39.000 0.332 0.000 1.033 618 F HN 0.114 nan 8.300 nan 0.000 0.512 619 V N 1.298 121.245 119.914 0.054 0.000 2.409 619 V HA 0.174 4.293 4.120 -0.000 0.000 0.291 619 V C -0.590 175.495 176.094 -0.014 0.000 1.020 619 V CA -0.925 61.410 62.300 0.059 0.000 0.848 619 V CB 1.552 33.358 31.823 -0.029 0.000 0.990 619 V HN 0.126 nan 8.190 nan 0.000 0.430 620 D N 4.010 124.394 120.400 -0.027 0.000 2.359 620 D HA 0.048 4.688 4.640 -0.000 0.000 0.250 620 D C 1.104 177.349 176.300 -0.093 0.000 1.264 620 D CA -0.271 53.681 54.000 -0.079 0.000 0.911 620 D CB 0.675 41.403 40.800 -0.121 0.000 1.056 620 D HN 0.641 nan 8.370 nan 0.000 0.499 621 N N 3.257 121.907 118.700 -0.083 0.000 2.609 621 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 621 N C 1.071 176.535 175.510 -0.077 0.000 1.157 621 N CA 0.509 53.505 53.050 -0.090 0.000 0.918 621 N CB -0.045 38.388 38.487 -0.092 0.000 0.978 621 N HN 0.369 nan 8.380 nan 0.000 0.448 622 K N 0.118 120.478 120.400 -0.068 0.000 2.393 622 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 622 K C -0.129 176.459 176.600 -0.021 0.000 1.026 622 K CA 0.063 56.327 56.287 -0.039 0.000 1.064 622 K CB 0.348 32.825 32.500 -0.037 0.000 0.833 622 K HN 0.122 nan 8.250 nan 0.000 0.521 623 R N 1.063 121.517 120.500 -0.076 0.000 2.644 623 R HA 0.337 4.677 4.340 -0.000 0.000 0.271 623 R C -1.156 175.080 176.300 -0.107 0.000 1.687 623 R CA -0.183 55.854 56.100 -0.106 0.000 1.655 623 R CB 0.842 30.889 30.300 -0.421 0.000 1.285 623 R HN -0.004 nan 8.270 nan 0.000 0.643 624 I N 1.414 122.063 120.570 0.132 0.000 2.389 624 I HA 0.521 4.691 4.170 -0.000 0.000 0.288 624 I C 0.001 176.411 176.117 0.488 0.000 0.999 624 I CA -0.680 60.739 61.300 0.198 0.000 1.129 624 I CB 1.879 39.831 38.000 -0.080 0.000 1.288 624 I HN 0.369 nan 8.210 nan 0.000 0.444 625 A N 7.239 130.451 122.820 0.653 0.000 2.344 625 A HA 0.929 5.249 4.320 -0.000 0.000 0.307 625 A C -0.999 176.940 177.584 0.592 0.000 1.151 625 A CA -0.656 51.732 52.037 0.585 0.000 0.842 625 A CB 1.979 21.179 19.000 0.334 0.000 1.350 625 A HN 0.727 nan 8.150 nan 0.000 0.459 626 I N 0.345 121.170 120.570 0.425 0.000 2.722 626 I HA 0.650 4.820 4.170 -0.000 0.000 0.292 626 I C -2.020 174.346 176.117 0.415 0.000 1.267 626 I CA -0.521 60.967 61.300 0.314 0.000 1.036 626 I CB 1.580 39.488 38.000 -0.153 0.000 1.281 626 I HN 0.947 nan 8.210 nan 0.000 0.423 627 W N 7.156 128.587 121.300 0.217 0.000 3.137 627 W HA 0.853 5.513 4.660 -0.000 0.000 0.324 627 W C -1.422 175.260 176.519 0.270 0.000 1.253 627 W CA -0.905 56.585 57.345 0.241 0.000 1.183 627 W CB 1.086 30.739 29.460 0.322 0.000 1.424 627 W HN 0.840 nan 8.180 nan 0.000 0.566 628 G N 0.747 109.474 108.800 -0.122 0.000 2.576 628 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 628 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 628 G C -2.792 172.083 174.900 -0.042 0.000 1.442 628 G CA -0.738 44.150 45.100 -0.353 0.000 0.792 628 G HN 0.599 nan 8.290 nan 0.000 0.491 629 W N 0.654 121.860 121.300 -0.156 0.000 2.736 629 W HA 0.584 5.243 4.660 -0.000 0.000 0.335 629 W C 0.920 177.505 176.519 0.109 0.000 1.059 629 W CA 0.404 57.748 57.345 -0.002 0.000 1.226 629 W CB 1.969 31.427 29.460 -0.004 0.000 1.416 629 W HN 1.138 nan 8.180 nan 0.000 0.505 630 S N 2.452 118.445 115.700 0.489 0.000 4.155 630 S HA -0.438 4.032 4.470 -0.000 0.000 0.552 630 S C 1.231 175.921 174.600 0.151 0.000 1.869 630 S CA 2.156 60.593 58.200 0.395 0.000 4.246 630 S CB -1.830 61.731 63.200 0.602 0.000 0.245 630 S HN 0.710 nan 8.310 nan 0.000 0.461 631 Y N 2.482 122.759 120.300 -0.038 0.000 2.181 631 Y HA 0.049 4.598 4.550 -0.000 0.000 0.288 631 Y C 2.472 178.341 175.900 -0.051 0.000 1.146 631 Y CA 2.520 60.539 58.100 -0.134 0.000 1.164 631 Y CB -1.085 37.097 38.460 -0.463 0.000 0.982 631 Y HN 0.516 nan 8.280 nan 0.000 0.515 632 G N -0.968 107.896 108.800 0.106 0.000 2.450 632 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 632 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 632 G C 1.879 176.831 174.900 0.088 0.000 1.130 632 G CA 0.839 46.019 45.100 0.133 0.000 0.760 632 G HN 0.583 nan 8.290 nan 0.000 0.557 633 G N -0.473 108.387 108.800 0.101 0.000 2.421 633 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 633 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 633 G C 1.565 176.502 174.900 0.062 0.000 1.143 633 G CA 0.984 46.128 45.100 0.074 0.000 0.784 633 G HN 0.407 nan 8.290 nan 0.000 0.541 634 Y N 1.548 121.760 120.300 -0.147 0.000 2.089 634 Y HA -0.120 4.430 4.550 -0.000 0.000 0.282 634 Y C 2.752 178.558 175.900 -0.156 0.000 1.139 634 Y CA 1.538 59.492 58.100 -0.243 0.000 1.123 634 Y CB -0.590 37.574 38.460 -0.493 0.000 0.980 634 Y HN 0.019 nan 8.280 nan 0.000 0.493 635 V N -0.100 119.681 119.914 -0.223 0.000 2.287 635 V HA -0.360 3.759 4.120 -0.000 0.000 0.248 635 V C 2.354 178.335 176.094 -0.188 0.000 1.053 635 V CA 2.506 64.662 62.300 -0.240 0.000 1.027 635 V CB -1.316 30.517 31.823 0.016 0.000 0.646 635 V HN 0.505 nan 8.190 nan 0.000 0.447 636 T N -0.068 114.437 114.554 -0.082 0.000 2.665 636 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 636 T C 2.119 176.759 174.700 -0.099 0.000 1.035 636 T CA 2.114 64.176 62.100 -0.063 0.000 1.151 636 T CB -0.310 68.601 68.868 0.073 0.000 0.862 636 T HN 0.534 nan 8.240 nan 0.000 0.438 637 S N 0.811 116.483 115.700 -0.048 0.000 2.383 637 S HA -0.005 4.465 4.470 -0.000 0.000 0.227 637 S C 2.125 176.643 174.600 -0.137 0.000 1.026 637 S CA 0.865 59.052 58.200 -0.022 0.000 0.981 637 S CB -0.255 62.983 63.200 0.064 0.000 0.818 637 S HN 0.311 nan 8.310 nan 0.000 0.472 638 M N 0.933 120.368 119.600 -0.276 0.000 2.117 638 M HA -0.026 4.454 4.480 -0.000 0.000 0.262 638 M C 2.229 178.375 176.300 -0.257 0.000 1.065 638 M CA 1.119 56.235 55.300 -0.306 0.000 1.114 638 M CB -1.443 30.862 32.600 -0.492 0.000 1.361 638 M HN 0.175 nan 8.290 nan 0.000 0.408 639 V N 0.706 120.460 119.914 -0.267 0.000 2.261 639 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 639 V C 2.521 178.422 176.094 -0.322 0.000 1.047 639 V CA 1.437 63.578 62.300 -0.266 0.000 1.015 639 V CB -0.701 30.900 31.823 -0.371 0.000 0.642 639 V HN 0.415 nan 8.190 nan 0.000 0.446 640 L N 0.430 121.398 121.223 -0.424 0.000 2.265 640 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 640 L C 2.124 178.470 176.870 -0.873 0.000 1.117 640 L CA 1.415 55.909 54.840 -0.577 0.000 0.782 640 L CB -0.703 40.974 42.059 -0.637 0.000 0.914 640 L HN 0.504 nan 8.230 nan 0.000 0.441 641 G N -1.461 106.897 108.800 -0.738 0.000 3.337 641 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.246 641 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.246 641 G C 1.465 176.219 174.900 -0.244 0.000 1.131 641 G CA 0.543 45.299 45.100 -0.574 0.000 0.773 641 G HN 0.414 nan 8.290 nan 0.000 0.544 642 S N -0.544 115.030 115.700 -0.209 0.000 2.436 642 S HA 0.286 4.756 4.470 -0.000 0.000 0.228 642 S C 1.965 176.522 174.600 -0.072 0.000 1.014 642 S CA 1.149 59.286 58.200 -0.106 0.000 0.950 642 S CB -0.159 62.998 63.200 -0.073 0.000 0.784 642 S HN 1.389 nan 8.310 nan 0.000 0.504 643 G N 1.168 109.918 108.800 -0.084 0.000 2.136 643 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.242 643 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.242 643 G C 0.940 175.831 174.900 -0.016 0.000 0.989 643 G CA 0.927 45.998 45.100 -0.047 0.000 0.682 643 G HN 1.285 nan 8.290 nan 0.000 0.522 644 S N -0.538 115.165 115.700 0.005 0.000 2.423 644 S HA 0.293 4.763 4.470 -0.000 0.000 0.231 644 S C 2.577 177.185 174.600 0.014 0.000 1.014 644 S CA 1.706 59.920 58.200 0.023 0.000 0.965 644 S CB -0.263 62.978 63.200 0.070 0.000 0.785 644 S HN 2.419 nan 8.310 nan 0.000 0.495 645 G N 0.046 108.862 108.800 0.026 0.000 2.184 645 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 645 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 645 G C 0.776 175.670 174.900 -0.010 0.000 0.975 645 G CA 0.446 45.553 45.100 0.012 0.000 0.642 645 G HN 0.700 nan 8.290 nan 0.000 0.536 646 V N -0.519 119.379 119.914 -0.027 0.000 2.379 646 V HA 0.226 4.346 4.120 -0.000 0.000 0.245 646 V C 1.325 177.213 176.094 -0.343 0.000 1.044 646 V CA 1.635 63.794 62.300 -0.235 0.000 1.036 646 V CB -0.421 31.150 31.823 -0.419 0.000 0.664 646 V HN 0.305 nan 8.190 nan 0.000 0.453 647 F N -0.175 119.791 119.950 0.027 0.000 2.422 647 F HA 0.422 4.949 4.527 -0.000 0.000 0.333 647 F C 1.106 176.948 175.800 0.071 0.000 1.095 647 F CA -0.671 57.371 58.000 0.069 0.000 1.038 647 F CB 1.337 40.384 39.000 0.078 0.000 1.156 647 F HN -0.259 nan 8.300 nan 0.000 0.483 648 K N 1.160 121.730 120.400 0.283 0.000 2.098 648 K HA 0.102 4.422 4.320 -0.000 0.000 0.203 648 K C 0.041 176.773 176.600 0.220 0.000 1.051 648 K CA 1.003 57.414 56.287 0.207 0.000 0.957 648 K CB 0.245 32.865 32.500 0.201 0.000 0.738 648 K HN 0.826 nan 8.250 nan 0.000 0.447 649 c N -2.898 115.868 118.600 0.277 0.000 3.340 649 c HA 0.928 5.498 4.570 -0.000 0.000 0.333 649 c C -0.131 174.174 174.090 0.358 0.000 1.464 649 c CA -0.506 56.003 56.329 0.301 0.000 1.337 649 c CB 1.064 43.690 42.510 0.192 0.000 1.740 649 c HN 0.393 nan 8.230 nan 0.000 0.450 650 G N -0.310 108.774 108.800 0.474 0.000 2.547 650 G HA2 0.664 4.624 3.960 -0.000 0.000 0.291 650 G HA3 0.664 4.624 3.960 -0.000 0.000 0.291 650 G C -2.077 173.092 174.900 0.447 0.000 1.471 650 G CA -0.654 44.701 45.100 0.426 0.000 0.798 650 G HN 0.996 nan 8.290 nan 0.000 0.504 651 I N 0.494 121.293 120.570 0.381 0.000 2.498 651 I HA 0.651 4.821 4.170 -0.000 0.000 0.290 651 I C 0.116 176.394 176.117 0.268 0.000 1.032 651 I CA -1.027 60.393 61.300 0.201 0.000 1.073 651 I CB 2.345 40.437 38.000 0.153 0.000 1.251 651 I HN 0.702 nan 8.210 nan 0.000 0.426 652 A N 6.256 129.143 122.820 0.111 0.000 2.304 652 A HA 0.784 5.104 4.320 -0.000 0.000 0.314 652 A C -0.842 176.693 177.584 -0.082 0.000 1.187 652 A CA -0.519 51.580 52.037 0.103 0.000 0.810 652 A CB 1.171 20.303 19.000 0.220 0.000 1.183 652 A HN 0.432 nan 8.150 nan 0.000 0.487 653 V N 2.068 121.876 119.914 -0.176 0.000 2.417 653 V HA 0.579 4.699 4.120 -0.000 0.000 0.291 653 V C 0.951 176.686 176.094 -0.597 0.000 1.024 653 V CA 0.292 62.266 62.300 -0.543 0.000 0.861 653 V CB 0.818 31.980 31.823 -1.100 0.000 0.985 653 V HN 2.114 nan 8.190 nan 0.000 0.436 654 A N 5.559 128.008 122.820 -0.618 0.000 2.415 654 A HA -0.105 4.215 4.320 -0.000 0.000 0.292 654 A C -1.804 175.660 177.584 -0.199 0.000 1.452 654 A CA 0.510 52.099 52.037 -0.746 0.000 0.750 654 A CB -1.511 17.206 19.000 -0.473 0.000 1.099 654 A HN 0.620 nan 8.150 nan 0.000 0.391 655 P HA 0.478 nan 4.420 nan 0.000 0.284 655 P C 0.113 177.387 177.300 -0.044 0.000 1.258 655 P CA -0.344 62.749 63.100 -0.013 0.000 0.824 655 P CB 1.571 33.285 31.700 0.024 0.000 1.038 656 V N 2.213 122.002 119.914 -0.210 0.000 2.775 656 V HA 0.086 4.206 4.120 -0.000 0.000 0.299 656 V C 1.736 177.618 176.094 -0.352 0.000 1.062 656 V CA 0.901 62.933 62.300 -0.447 0.000 1.063 656 V CB 0.892 32.071 31.823 -1.073 0.000 0.994 656 V HN 0.842 nan 8.190 nan 0.000 0.483 657 S N 3.561 119.075 115.700 -0.309 0.000 2.613 657 S HA 0.246 4.716 4.470 -0.000 0.000 0.235 657 S C 0.435 174.812 174.600 -0.373 0.000 1.073 657 S CA -0.390 57.689 58.200 -0.202 0.000 0.899 657 S CB 0.331 63.486 63.200 -0.074 0.000 0.818 657 S HN 0.837 nan 8.310 nan 0.000 0.484 658 R N -1.079 119.069 120.500 -0.587 0.000 2.535 658 R HA 0.471 4.811 4.340 -0.000 0.000 0.274 658 R C -0.906 175.014 176.300 -0.634 0.000 1.090 658 R CA -0.890 54.807 56.100 -0.672 0.000 0.930 658 R CB -0.194 29.696 30.300 -0.683 0.000 1.223 658 R HN 0.134 nan 8.270 nan 0.000 0.441 659 W N 1.527 122.733 121.300 -0.157 0.000 2.359 659 W HA -0.093 4.567 4.660 -0.000 0.000 0.275 659 W C 0.995 177.652 176.519 0.230 0.000 1.217 659 W CA 1.005 58.373 57.345 0.039 0.000 1.196 659 W CB 0.127 29.574 29.460 -0.022 0.000 1.129 659 W HN 0.700 nan 8.180 nan 0.000 0.566 660 E N -1.035 119.324 120.200 0.265 0.000 2.478 660 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 660 E C 1.203 177.981 176.600 0.295 0.000 1.046 660 E CA 0.541 57.063 56.400 0.204 0.000 0.870 660 E CB -0.180 29.538 29.700 0.031 0.000 0.818 660 E HN 0.376 nan 8.360 nan 0.000 0.527 661 Y N -1.376 119.005 120.300 0.134 0.000 2.503 661 Y HA 0.065 4.614 4.550 -0.000 0.000 0.278 661 Y C 0.798 176.786 175.900 0.148 0.000 1.111 661 Y CA -0.336 57.812 58.100 0.080 0.000 1.270 661 Y CB -0.322 38.126 38.460 -0.020 0.000 1.063 661 Y HN 0.013 nan 8.280 nan 0.000 0.548 662 Y N 2.071 122.524 120.300 0.255 0.000 2.334 662 Y HA 0.273 4.823 4.550 -0.000 0.000 0.325 662 Y C 0.311 176.450 175.900 0.399 0.000 1.308 662 Y CA -1.953 56.313 58.100 0.277 0.000 1.389 662 Y CB 0.319 38.967 38.460 0.312 0.000 1.328 662 Y HN 0.185 nan 8.280 nan 0.000 0.532 663 D N -0.371 119.809 120.400 -0.368 0.000 2.382 663 D HA 0.074 4.714 4.640 -0.000 0.000 0.240 663 D C 0.954 177.277 176.300 0.037 0.000 1.146 663 D CA 0.419 54.280 54.000 -0.231 0.000 0.897 663 D CB 0.885 41.310 40.800 -0.625 0.000 1.197 663 D HN 0.498 nan 8.370 nan 0.000 0.432 664 S N 1.458 117.189 115.700 0.051 0.000 2.351 664 S HA -0.246 4.224 4.470 -0.000 0.000 0.220 664 S C 2.000 176.642 174.600 0.071 0.000 1.035 664 S CA 1.228 59.495 58.200 0.111 0.000 1.031 664 S CB -1.118 62.152 63.200 0.116 0.000 0.928 664 S HN 0.441 nan 8.310 nan 0.000 0.433 665 V N 0.966 120.859 119.914 -0.035 0.000 2.317 665 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 665 V C 2.321 178.322 176.094 -0.154 0.000 1.065 665 V CA 2.468 64.639 62.300 -0.215 0.000 1.049 665 V CB -1.088 30.453 31.823 -0.469 0.000 0.651 665 V HN 0.653 nan 8.190 nan 0.000 0.450 666 Y N 0.928 121.176 120.300 -0.087 0.000 2.231 666 Y HA -0.144 4.406 4.550 -0.000 0.000 0.294 666 Y C 2.677 178.606 175.900 0.047 0.000 1.120 666 Y CA 2.058 60.179 58.100 0.035 0.000 1.141 666 Y CB -0.497 38.163 38.460 0.333 0.000 1.022 666 Y HN 0.206 nan 8.280 nan 0.000 0.523 667 T N 0.463 115.241 114.554 0.374 0.000 2.674 667 T HA -0.194 4.156 4.350 -0.000 0.000 0.265 667 T C 1.583 176.267 174.700 -0.026 0.000 1.039 667 T CA 1.960 64.216 62.100 0.260 0.000 1.150 667 T CB -0.322 68.859 68.868 0.522 0.000 0.864 667 T HN 0.409 nan 8.240 nan 0.000 0.427 668 E N 0.598 120.815 120.200 0.029 0.000 2.160 668 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 668 E C 2.323 178.804 176.600 -0.199 0.000 0.991 668 E CA 0.661 57.065 56.400 0.006 0.000 0.810 668 E CB -0.152 29.595 29.700 0.077 0.000 0.742 668 E HN 0.328 nan 8.360 nan 0.000 0.466 669 R N -0.135 120.091 120.500 -0.457 0.000 2.170 669 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 669 R C 1.122 176.849 176.300 -0.955 0.000 1.145 669 R CA 1.562 57.195 56.100 -0.778 0.000 0.984 669 R CB 0.029 29.586 30.300 -1.239 0.000 0.869 669 R HN 0.252 nan 8.270 nan 0.000 0.455 670 Y N -2.348 117.633 120.300 -0.533 0.000 2.607 670 Y HA 0.216 4.766 4.550 -0.000 0.000 0.276 670 Y C 1.817 177.523 175.900 -0.323 0.000 1.117 670 Y CA -0.022 57.757 58.100 -0.535 0.000 1.273 670 Y CB 0.230 38.245 38.460 -0.742 0.000 1.282 670 Y HN -0.075 nan 8.280 nan 0.000 0.514 671 M N -0.093 119.390 119.600 -0.195 0.000 2.441 671 M HA 0.331 4.811 4.480 -0.000 0.000 0.244 671 M C 1.123 177.422 176.300 -0.002 0.000 1.122 671 M CA 0.929 56.101 55.300 -0.214 0.000 1.041 671 M CB -0.727 31.510 32.600 -0.606 0.000 1.438 671 M HN 0.407 nan 8.290 nan 0.000 0.484 672 G N 1.639 110.462 108.800 0.039 0.000 2.553 672 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.242 672 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.242 672 G C -0.841 174.201 174.900 0.237 0.000 1.277 672 G CA -0.773 44.395 45.100 0.112 0.000 0.910 672 G HN 0.264 nan 8.290 nan 0.000 0.576 673 L N 2.708 124.049 121.223 0.198 0.000 2.343 673 L HA 0.571 4.911 4.340 -0.000 0.000 0.275 673 L C -1.304 175.601 176.870 0.058 0.000 1.056 673 L CA -1.695 53.223 54.840 0.130 0.000 0.804 673 L CB 1.580 43.670 42.059 0.051 0.000 1.203 673 L HN 0.436 nan 8.230 nan 0.000 0.440 674 P HA 0.082 nan 4.420 nan 0.000 0.226 674 P C -0.698 176.469 177.300 -0.221 0.000 1.758 674 P CA -0.148 62.577 63.100 -0.626 0.000 0.896 674 P CB -0.484 30.586 31.700 -1.050 0.000 1.784 675 T N -3.224 111.287 114.554 -0.072 0.000 2.932 675 T HA 0.438 4.788 4.350 -0.000 0.000 0.289 675 T C -1.908 172.799 174.700 0.012 0.000 1.039 675 T CA -2.409 59.674 62.100 -0.028 0.000 1.024 675 T CB 1.947 70.808 68.868 -0.012 0.000 1.090 675 T HN -0.199 nan 8.240 nan 0.000 0.496 676 P HA -0.037 nan 4.420 nan 0.000 0.222 676 P C 0.662 177.982 177.300 0.033 0.000 1.147 676 P CA 0.976 64.093 63.100 0.028 0.000 0.790 676 P CB 0.186 31.898 31.700 0.020 0.000 0.780 677 E N -0.713 119.502 120.200 0.025 0.000 2.358 677 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 677 E C 1.510 178.131 176.600 0.035 0.000 1.010 677 E CA 0.714 57.129 56.400 0.025 0.000 0.856 677 E CB -0.307 29.402 29.700 0.016 0.000 0.795 677 E HN 0.310 nan 8.360 nan 0.000 0.504 678 D N -0.499 119.931 120.400 0.049 0.000 2.970 678 D HA 0.104 4.744 4.640 -0.000 0.000 0.236 678 D C 0.204 176.566 176.300 0.104 0.000 1.415 678 D CA 0.029 54.070 54.000 0.069 0.000 1.279 678 D CB -0.021 40.824 40.800 0.076 0.000 0.932 678 D HN -0.001 nan 8.370 nan 0.000 0.216 679 N N 0.208 119.009 118.700 0.167 0.000 2.351 679 N HA 0.050 4.790 4.740 -0.000 0.000 0.254 679 N C 1.284 177.011 175.510 0.362 0.000 1.241 679 N CA -0.127 53.067 53.050 0.239 0.000 0.883 679 N CB 0.756 39.395 38.487 0.252 0.000 1.202 679 N HN 0.004 nan 8.380 nan 0.000 0.512 680 L N 1.044 122.404 121.223 0.230 0.000 2.043 680 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 680 L C 1.407 178.404 176.870 0.211 0.000 1.075 680 L CA 2.021 56.973 54.840 0.187 0.000 0.752 680 L CB -0.428 41.666 42.059 0.058 0.000 0.891 680 L HN 0.170 nan 8.230 nan 0.000 0.432 681 D N -1.419 119.080 120.400 0.165 0.000 2.123 681 D HA -0.259 4.381 4.640 -0.000 0.000 0.196 681 D C 2.082 178.484 176.300 0.170 0.000 0.992 681 D CA 1.807 55.889 54.000 0.138 0.000 0.833 681 D CB -0.260 40.606 40.800 0.110 0.000 0.954 681 D HN 0.585 nan 8.370 nan 0.000 0.455 682 H N -0.768 118.367 119.070 0.108 0.000 2.428 682 H HA -0.080 4.476 4.556 -0.000 0.000 0.296 682 H C 1.720 177.111 175.328 0.106 0.000 1.062 682 H CA 1.197 57.285 56.048 0.068 0.000 1.350 682 H CB -0.343 29.424 29.762 0.007 0.000 1.403 682 H HN 0.128 nan 8.280 nan 0.000 0.533 683 Y N 0.296 120.608 120.300 0.020 0.000 2.207 683 Y HA -0.184 4.366 4.550 -0.000 0.000 0.287 683 Y C 2.300 178.178 175.900 -0.038 0.000 1.156 683 Y CA 1.525 59.635 58.100 0.016 0.000 1.182 683 Y CB 0.133 38.630 38.460 0.062 0.000 0.979 683 Y HN 0.130 nan 8.280 nan 0.000 0.521 684 R N -0.347 120.234 120.500 0.135 0.000 2.193 684 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 684 R C 1.341 177.638 176.300 -0.005 0.000 1.055 684 R CA 0.777 56.906 56.100 0.048 0.000 0.995 684 R CB -0.612 29.718 30.300 0.049 0.000 0.893 684 R HN 0.378 nan 8.270 nan 0.000 0.459 685 N N 0.044 118.721 118.700 -0.038 0.000 2.395 685 N HA -0.071 4.669 4.740 -0.000 0.000 0.175 685 N C 0.828 176.281 175.510 -0.095 0.000 1.029 685 N CA 0.894 53.914 53.050 -0.050 0.000 0.897 685 N CB 0.152 38.641 38.487 0.003 0.000 0.991 685 N HN 0.095 nan 8.380 nan 0.000 0.441 686 S N -0.502 115.081 115.700 -0.195 0.000 2.763 686 S HA 0.069 4.539 4.470 -0.000 0.000 0.237 686 S C 0.458 175.087 174.600 0.049 0.000 0.966 686 S CA -0.554 57.598 58.200 -0.079 0.000 1.017 686 S CB -1.125 61.990 63.200 -0.141 0.000 0.780 686 S HN 0.243 nan 8.310 nan 0.000 0.476 687 T N -1.771 112.769 114.554 -0.023 0.000 2.889 687 T HA 0.474 4.824 4.350 -0.000 0.000 0.291 687 T C 1.254 175.936 174.700 -0.029 0.000 0.995 687 T CA -0.736 61.332 62.100 -0.053 0.000 1.092 687 T CB 1.480 70.287 68.868 -0.101 0.000 0.954 687 T HN -0.031 nan 8.240 nan 0.000 0.506 688 V N 2.919 122.815 119.914 -0.030 0.000 2.427 688 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 688 V C 2.689 178.741 176.094 -0.069 0.000 1.051 688 V CA 1.704 63.978 62.300 -0.043 0.000 1.048 688 V CB -0.863 30.930 31.823 -0.051 0.000 0.666 688 V HN 0.877 nan 8.190 nan 0.000 0.456 689 M N 0.971 120.514 119.600 -0.095 0.000 2.213 689 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 689 M C 2.293 178.555 176.300 -0.062 0.000 1.062 689 M CA 2.166 57.404 55.300 -0.103 0.000 1.105 689 M CB -1.898 30.648 32.600 -0.089 0.000 1.385 689 M HN 0.564 nan 8.290 nan 0.000 0.417 690 S N 0.467 116.143 115.700 -0.040 0.000 2.547 690 S HA -0.012 4.458 4.470 -0.000 0.000 0.235 690 S C 1.652 176.253 174.600 0.001 0.000 0.980 690 S CA 0.437 58.625 58.200 -0.019 0.000 0.941 690 S CB -0.446 62.743 63.200 -0.018 0.000 0.763 690 S HN 0.600 nan 8.310 nan 0.000 0.532 691 R N 0.130 120.642 120.500 0.020 0.000 2.509 691 R HA 0.464 4.804 4.340 -0.000 0.000 0.300 691 R C 1.983 178.388 176.300 0.176 0.000 0.985 691 R CA 0.411 56.556 56.100 0.075 0.000 1.092 691 R CB -0.049 30.297 30.300 0.078 0.000 1.237 691 R HN 0.432 nan 8.270 nan 0.000 0.546 692 A N 1.504 124.361 122.820 0.062 0.000 1.917 692 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 692 A C 2.019 179.690 177.584 0.144 0.000 1.182 692 A CA 1.930 53.970 52.037 0.006 0.000 0.633 692 A CB -0.249 18.693 19.000 -0.097 0.000 0.819 692 A HN 0.280 nan 8.150 nan 0.000 0.448 693 E N 0.693 120.951 120.200 0.098 0.000 2.070 693 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 693 E C 1.589 178.257 176.600 0.113 0.000 1.004 693 E CA 1.988 58.441 56.400 0.089 0.000 0.805 693 E CB -0.558 29.173 29.700 0.052 0.000 0.744 693 E HN 0.793 nan 8.360 nan 0.000 0.451 694 N N -1.071 117.691 118.700 0.103 0.000 2.609 694 N HA -0.093 4.647 4.740 -0.000 0.000 0.190 694 N C 0.641 176.133 175.510 -0.030 0.000 1.157 694 N CA 0.061 53.121 53.050 0.017 0.000 0.918 694 N CB -0.117 38.334 38.487 -0.060 0.000 0.978 694 N HN 0.153 nan 8.380 nan 0.000 0.448 695 F N 1.460 121.378 119.950 -0.054 0.000 2.661 695 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 695 F C 1.873 177.690 175.800 0.028 0.000 1.137 695 F CA 0.578 58.547 58.000 -0.051 0.000 1.454 695 F CB 0.075 39.010 39.000 -0.108 0.000 1.103 695 F HN -0.091 nan 8.300 nan 0.000 0.577 696 K N -0.312 120.193 120.400 0.174 0.000 2.280 696 K HA -0.166 4.154 4.320 -0.000 0.000 0.202 696 K C 1.613 178.274 176.600 0.101 0.000 1.047 696 K CA 0.846 57.215 56.287 0.137 0.000 0.942 696 K CB -0.131 32.429 32.500 0.100 0.000 0.739 696 K HN 0.226 nan 8.250 nan 0.000 0.457 697 Q N 0.257 120.092 119.800 0.059 0.000 2.425 697 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 697 Q C 0.749 176.781 176.000 0.054 0.000 0.933 697 Q CA 0.393 56.221 55.803 0.041 0.000 0.939 697 Q CB 0.368 29.111 28.738 0.008 0.000 1.044 697 Q HN 0.249 nan 8.270 nan 0.000 0.513 698 V N -3.190 116.767 119.914 0.072 0.000 3.130 698 V HA 0.528 4.647 4.120 -0.000 0.000 0.310 698 V C -0.869 175.359 176.094 0.225 0.000 1.158 698 V CA -1.270 61.100 62.300 0.115 0.000 1.029 698 V CB 2.411 34.259 31.823 0.041 0.000 1.057 698 V HN -0.070 nan 8.190 nan 0.000 0.436 699 E N 1.529 121.892 120.200 0.271 0.000 2.146 699 E HA 0.461 4.811 4.350 -0.000 0.000 0.282 699 E C -1.851 175.105 176.600 0.594 0.000 0.989 699 E CA -0.333 56.297 56.400 0.385 0.000 0.799 699 E CB 1.669 31.529 29.700 0.268 0.000 1.088 699 E HN 0.687 nan 8.360 nan 0.000 0.397 700 Y N 3.621 124.187 120.300 0.443 0.000 2.391 700 Y HA 0.410 4.960 4.550 -0.000 0.000 0.341 700 Y C -1.638 174.371 175.900 0.181 0.000 0.965 700 Y CA -1.176 57.141 58.100 0.362 0.000 1.067 700 Y CB 0.993 39.716 38.460 0.437 0.000 1.199 700 Y HN 0.433 nan 8.280 nan 0.000 0.450 701 L N 8.130 129.095 121.223 -0.430 0.000 2.325 701 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 701 L C -1.726 174.720 176.870 -0.706 0.000 1.004 701 L CA -0.805 53.614 54.840 -0.702 0.000 0.823 701 L CB 1.210 42.535 42.059 -1.223 0.000 1.236 701 L HN 0.710 nan 8.230 nan 0.000 0.415 702 L N 6.524 127.414 121.223 -0.556 0.000 2.305 702 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 702 L C -0.909 175.857 176.870 -0.174 0.000 1.013 702 L CA -0.503 54.082 54.840 -0.425 0.000 0.819 702 L CB 1.675 43.517 42.059 -0.361 0.000 1.227 702 L HN 0.614 nan 8.230 nan 0.000 0.417 703 I N 3.906 124.391 120.570 -0.143 0.000 2.608 703 I HA 0.500 4.670 4.170 -0.000 0.000 0.295 703 I C -0.933 175.189 176.117 0.009 0.000 1.049 703 I CA -0.745 60.525 61.300 -0.050 0.000 1.063 703 I CB 2.117 40.053 38.000 -0.106 0.000 1.248 703 I HN 0.522 nan 8.210 nan 0.000 0.424 704 H N 2.668 121.804 119.070 0.110 0.000 3.085 704 H HA 0.379 4.934 4.556 -0.000 0.000 0.356 704 H C -0.818 174.749 175.328 0.397 0.000 1.178 704 H CA -0.545 55.615 56.048 0.186 0.000 1.214 704 H CB 2.474 32.289 29.762 0.087 0.000 1.881 704 H HN 0.769 nan 8.280 nan 0.000 0.538 705 G N 1.033 110.175 108.800 0.571 0.000 2.390 705 G HA2 0.226 4.186 3.960 -0.000 0.000 0.270 705 G HA3 0.226 4.186 3.960 -0.000 0.000 0.270 705 G C 1.141 176.338 174.900 0.496 0.000 1.211 705 G CA 0.217 45.611 45.100 0.491 0.000 0.842 705 G HN 0.653 nan 8.290 nan 0.000 0.519 706 T N -0.606 114.093 114.554 0.241 0.000 2.962 706 T HA 0.034 4.384 4.350 -0.000 0.000 0.270 706 T C 1.731 176.432 174.700 0.003 0.000 1.088 706 T CA 1.354 63.422 62.100 -0.053 0.000 1.127 706 T CB 0.117 68.902 68.868 -0.139 0.000 0.883 706 T HN 0.699 nan 8.240 nan 0.000 0.493 707 A N 0.918 123.803 122.820 0.109 0.000 2.577 707 A HA 0.310 4.630 4.320 -0.000 0.000 0.280 707 A C 0.364 177.917 177.584 -0.052 0.000 1.331 707 A CA -0.524 51.535 52.037 0.036 0.000 0.935 707 A CB -0.274 18.998 19.000 0.453 0.000 1.082 707 A HN 0.375 nan 8.150 nan 0.000 0.525 708 D N 1.479 121.894 120.400 0.025 0.000 2.358 708 D HA 0.012 4.652 4.640 -0.000 0.000 0.258 708 D C 0.232 176.518 176.300 -0.023 0.000 1.223 708 D CA 0.216 54.322 54.000 0.177 0.000 0.886 708 D CB 0.788 41.850 40.800 0.436 0.000 1.120 708 D HN 0.556 nan 8.370 nan 0.000 0.482 709 D N 2.281 122.724 120.400 0.072 0.000 2.367 709 D HA -0.108 4.532 4.640 -0.000 0.000 0.207 709 D C 0.928 177.208 176.300 -0.034 0.000 1.034 709 D CA -0.138 53.852 54.000 -0.016 0.000 0.861 709 D CB 0.414 41.165 40.800 -0.081 0.000 0.943 709 D HN 0.218 nan 8.370 nan 0.000 0.515 710 N N 0.829 119.603 118.700 0.124 0.000 2.324 710 N HA -0.034 4.706 4.740 -0.000 0.000 0.192 710 N C -0.085 175.411 175.510 -0.024 0.000 1.046 710 N CA 0.604 53.764 53.050 0.184 0.000 0.898 710 N CB 0.651 39.213 38.487 0.127 0.000 1.079 710 N HN -0.097 nan 8.380 nan 0.000 0.456 711 V N 2.988 122.890 119.914 -0.019 0.000 2.294 711 V HA 0.240 4.360 4.120 -0.000 0.000 0.272 711 V C -0.610 175.552 176.094 0.114 0.000 1.027 711 V CA -0.536 61.778 62.300 0.022 0.000 0.823 711 V CB -0.010 31.871 31.823 0.096 0.000 1.030 711 V HN 0.274 nan 8.190 nan 0.000 0.457 712 H N 3.208 122.274 119.070 -0.008 0.000 2.972 712 H HA -0.009 4.547 4.556 -0.000 0.000 0.343 712 H C 0.807 176.014 175.328 -0.202 0.000 1.054 712 H CA -0.065 55.904 56.048 -0.132 0.000 1.412 712 H CB 0.797 30.389 29.762 -0.283 0.000 1.385 712 H HN 0.631 nan 8.280 nan 0.000 0.600 713 F N 1.992 121.765 119.950 -0.295 0.000 2.236 713 F HA -0.288 4.239 4.527 -0.000 0.000 0.302 713 F C 2.534 178.063 175.800 -0.452 0.000 1.073 713 F CA 1.641 59.249 58.000 -0.653 0.000 1.336 713 F CB -0.177 38.624 39.000 -0.332 0.000 1.040 713 F HN 0.662 nan 8.300 nan 0.000 0.507 714 Q N 0.234 119.919 119.800 -0.191 0.000 2.096 714 Q HA -0.309 4.031 4.340 -0.000 0.000 0.208 714 Q C 2.075 177.865 176.000 -0.349 0.000 0.993 714 Q CA 2.301 57.943 55.803 -0.268 0.000 0.862 714 Q CB -0.383 28.157 28.738 -0.329 0.000 0.915 714 Q HN 0.583 nan 8.270 nan 0.000 0.416 715 Q N -0.307 119.328 119.800 -0.275 0.000 2.135 715 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 715 Q C 2.212 178.114 176.000 -0.164 0.000 0.981 715 Q CA 1.703 57.460 55.803 -0.077 0.000 0.856 715 Q CB -0.040 28.715 28.738 0.028 0.000 0.902 715 Q HN 0.340 nan 8.270 nan 0.000 0.425 716 S N 0.499 115.964 115.700 -0.392 0.000 2.425 716 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 716 S C 2.035 176.375 174.600 -0.433 0.000 1.024 716 S CA 0.608 58.573 58.200 -0.391 0.000 0.951 716 S CB -0.026 62.878 63.200 -0.494 0.000 0.796 716 S HN 0.463 nan 8.310 nan 0.000 0.498 717 A N 1.400 123.885 122.820 -0.559 0.000 1.978 717 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 717 A C 2.101 179.593 177.584 -0.155 0.000 1.170 717 A CA 1.202 53.057 52.037 -0.304 0.000 0.636 717 A CB -0.363 18.533 19.000 -0.173 0.000 0.810 717 A HN 0.362 nan 8.150 nan 0.000 0.448 718 Q N -0.712 119.006 119.800 -0.136 0.000 2.212 718 Q HA 0.090 4.429 4.340 -0.000 0.000 0.199 718 Q C 2.094 178.038 176.000 -0.094 0.000 0.950 718 Q CA 0.719 56.491 55.803 -0.053 0.000 0.863 718 Q CB -0.202 28.584 28.738 0.079 0.000 0.944 718 Q HN 0.772 nan 8.270 nan 0.000 0.465 719 I N 1.132 121.615 120.570 -0.145 0.000 2.202 719 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 719 I C 2.550 178.486 176.117 -0.301 0.000 1.091 719 I CA 1.500 62.668 61.300 -0.220 0.000 1.368 719 I CB -0.358 37.518 38.000 -0.208 0.000 1.058 719 I HN 0.184 nan 8.210 nan 0.000 0.410 720 S N 0.810 116.356 115.700 -0.257 0.000 2.368 720 S HA -0.263 4.207 4.470 -0.000 0.000 0.224 720 S C 2.058 176.615 174.600 -0.071 0.000 1.029 720 S CA 1.348 59.416 58.200 -0.219 0.000 0.988 720 S CB -0.417 62.828 63.200 0.076 0.000 0.838 720 S HN 0.342 nan 8.310 nan 0.000 0.462 721 K N 1.528 121.898 120.400 -0.050 0.000 2.103 721 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 721 K C 2.243 178.822 176.600 -0.036 0.000 1.048 721 K CA 1.177 57.455 56.287 -0.015 0.000 0.930 721 K CB -0.636 31.854 32.500 -0.016 0.000 0.716 721 K HN 0.487 nan 8.250 nan 0.000 0.444 722 A N 0.896 123.663 122.820 -0.089 0.000 1.898 722 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 722 A C 2.057 179.573 177.584 -0.114 0.000 1.181 722 A CA 1.093 53.071 52.037 -0.098 0.000 0.620 722 A CB -0.508 18.412 19.000 -0.133 0.000 0.819 722 A HN 0.299 nan 8.150 nan 0.000 0.442 723 L N -0.525 120.579 121.223 -0.198 0.000 2.093 723 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 723 L C 2.496 179.385 176.870 0.032 0.000 1.085 723 L CA 0.935 55.667 54.840 -0.181 0.000 0.755 723 L CB -0.507 41.258 42.059 -0.490 0.000 0.904 723 L HN 0.246 nan 8.230 nan 0.000 0.435 724 V N -0.324 119.642 119.914 0.086 0.000 2.358 724 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 724 V C 1.980 178.114 176.094 0.066 0.000 1.047 724 V CA 1.757 64.133 62.300 0.127 0.000 1.035 724 V CB -0.488 31.410 31.823 0.125 0.000 0.658 724 V HN 0.426 nan 8.190 nan 0.000 0.452 725 D N -0.440 119.979 120.400 0.032 0.000 2.263 725 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 725 D C 1.747 178.061 176.300 0.024 0.000 0.971 725 D CA 0.982 54.995 54.000 0.022 0.000 0.867 725 D CB 0.108 40.912 40.800 0.006 0.000 0.929 725 D HN 0.360 nan 8.370 nan 0.000 0.492 726 V N -0.478 119.451 119.914 0.025 0.000 3.621 726 V HA 0.238 4.357 4.120 -0.000 0.000 0.285 726 V C 1.109 177.235 176.094 0.053 0.000 1.346 726 V CA 0.803 63.122 62.300 0.032 0.000 1.104 726 V CB 0.077 31.912 31.823 0.021 0.000 0.913 726 V HN 0.349 nan 8.190 nan 0.000 0.432 727 G N 0.726 109.566 108.800 0.066 0.000 2.198 727 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.257 727 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.257 727 G C 0.028 174.994 174.900 0.110 0.000 1.042 727 G CA 0.336 45.484 45.100 0.080 0.000 0.791 727 G HN 0.501 nan 8.290 nan 0.000 0.502 728 V N 0.488 120.490 119.914 0.146 0.000 2.407 728 V HA 0.452 4.572 4.120 -0.000 0.000 0.278 728 V C 0.332 176.614 176.094 0.314 0.000 1.037 728 V CA -0.433 61.990 62.300 0.204 0.000 0.900 728 V CB 1.734 33.673 31.823 0.193 0.000 0.983 728 V HN 0.427 nan 8.190 nan 0.000 0.459 729 D N 4.462 125.017 120.400 0.259 0.000 2.277 729 D HA 0.537 5.177 4.640 -0.000 0.000 0.249 729 D C -0.512 175.998 176.300 0.351 0.000 1.134 729 D CA -0.008 54.124 54.000 0.220 0.000 0.863 729 D CB 0.607 41.476 40.800 0.114 0.000 1.143 729 D HN 0.326 nan 8.370 nan 0.000 0.458 730 F N 0.432 120.460 119.950 0.130 0.000 2.824 730 F HA 0.571 5.098 4.527 -0.000 0.000 0.330 730 F C -1.067 174.781 175.800 0.080 0.000 1.175 730 F CA -1.095 57.002 58.000 0.162 0.000 0.974 730 F CB 0.786 39.914 39.000 0.213 0.000 1.430 730 F HN 0.104 nan 8.300 nan 0.000 0.507 731 Q N 0.932 120.773 119.800 0.069 0.000 2.345 731 Q HA 0.811 5.151 4.340 -0.000 0.000 0.268 731 Q C -1.041 174.920 176.000 -0.066 0.000 1.054 731 Q CA -1.066 54.683 55.803 -0.090 0.000 0.835 731 Q CB 2.423 31.152 28.738 -0.015 0.000 1.339 731 Q HN 1.052 nan 8.270 nan 0.000 0.447 732 A N 1.559 124.320 122.820 -0.099 0.000 2.593 732 A HA 0.875 5.195 4.320 -0.000 0.000 0.290 732 A C -1.515 176.017 177.584 -0.087 0.000 1.126 732 A CA -0.558 51.464 52.037 -0.026 0.000 0.695 732 A CB 2.143 21.205 19.000 0.103 0.000 1.290 732 A HN 0.624 nan 8.150 nan 0.000 0.414 733 M N 0.667 120.212 119.600 -0.091 0.000 2.307 733 M HA 0.554 5.034 4.480 -0.000 0.000 0.279 733 M C -2.255 173.933 176.300 -0.186 0.000 1.080 733 M CA -0.465 54.644 55.300 -0.319 0.000 0.964 733 M CB 1.089 33.412 32.600 -0.462 0.000 1.825 733 M HN 1.078 nan 8.290 nan 0.000 0.489 734 W N 4.451 125.599 121.300 -0.254 0.000 2.570 734 W HA 0.788 5.448 4.660 -0.000 0.000 0.337 734 W C -2.094 174.171 176.519 -0.424 0.000 1.067 734 W CA -0.891 56.382 57.345 -0.119 0.000 1.229 734 W CB 0.467 29.897 29.460 -0.051 0.000 1.355 734 W HN 0.618 nan 8.180 nan 0.000 0.555 735 Y N 2.882 123.293 120.300 0.185 0.000 2.464 735 Y HA 0.291 4.841 4.550 -0.000 0.000 0.326 735 Y C 0.912 176.915 175.900 0.170 0.000 0.969 735 Y CA -1.056 57.072 58.100 0.046 0.000 1.270 735 Y CB 1.309 39.776 38.460 0.011 0.000 1.103 735 Y HN 0.626 nan 8.280 nan 0.000 0.491 736 T N 0.615 115.325 114.554 0.259 0.000 2.902 736 T HA 0.084 4.434 4.350 -0.000 0.000 0.301 736 T C 0.448 175.199 174.700 0.085 0.000 1.012 736 T CA 0.137 62.325 62.100 0.147 0.000 1.151 736 T CB 0.257 69.134 68.868 0.014 0.000 0.946 736 T HN 0.783 nan 8.240 nan 0.000 0.542 737 D N 0.484 120.912 120.400 0.046 0.000 3.046 737 D HA -0.116 4.524 4.640 -0.000 0.000 0.210 737 D C -0.081 176.329 176.300 0.184 0.000 1.124 737 D CA 1.194 55.153 54.000 -0.070 0.000 0.986 737 D CB -0.683 39.863 40.800 -0.423 0.000 1.118 737 D HN 0.724 nan 8.370 nan 0.000 0.416 738 E N 1.101 121.435 120.200 0.223 0.000 2.301 738 E HA 0.288 4.638 4.350 -0.000 0.000 0.275 738 E C 0.803 177.583 176.600 0.301 0.000 1.030 738 E CA -0.237 56.318 56.400 0.259 0.000 0.852 738 E CB 1.183 31.028 29.700 0.241 0.000 1.060 738 E HN 0.339 nan 8.360 nan 0.000 0.401 739 D N 0.298 120.890 120.400 0.320 0.000 2.481 739 D HA -0.029 4.611 4.640 -0.000 0.000 0.283 739 D C 1.135 177.664 176.300 0.382 0.000 1.192 739 D CA -0.063 54.150 54.000 0.355 0.000 1.100 739 D CB -0.267 40.773 40.800 0.399 0.000 1.166 739 D HN 0.434 nan 8.370 nan 0.000 0.584 740 H N -1.507 117.749 119.070 0.309 0.000 2.456 740 H HA 0.115 4.671 4.556 -0.000 0.000 0.296 740 H C 1.903 177.482 175.328 0.418 0.000 1.079 740 H CA 2.096 58.349 56.048 0.341 0.000 1.322 740 H CB -0.392 29.561 29.762 0.319 0.000 1.388 740 H HN 0.468 nan 8.280 nan 0.000 0.538 741 G N -0.187 108.783 108.800 0.284 0.000 2.494 741 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.216 741 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.216 741 G C 0.668 175.739 174.900 0.284 0.000 1.140 741 G CA 0.338 45.540 45.100 0.170 0.000 0.801 741 G HN 0.514 nan 8.290 nan 0.000 0.536 742 I N 0.082 120.819 120.570 0.279 0.000 6.697 742 I HA -0.310 3.860 4.170 -0.000 0.000 0.126 742 I C 1.494 177.727 176.117 0.193 0.000 1.764 742 I CA 0.172 61.590 61.300 0.198 0.000 2.245 742 I CB -1.337 36.757 38.000 0.156 0.000 3.404 742 I HN 0.279 nan 8.210 nan 0.000 0.228 743 A N 0.971 123.886 122.820 0.159 0.000 2.348 743 A HA 0.260 4.580 4.320 -0.000 0.000 0.224 743 A C 1.210 178.843 177.584 0.083 0.000 1.227 743 A CA 0.603 52.703 52.037 0.105 0.000 0.885 743 A CB 0.121 19.152 19.000 0.052 0.000 0.933 743 A HN 0.667 nan 8.150 nan 0.000 0.506 744 S N -0.083 115.680 115.700 0.106 0.000 2.558 744 S HA 0.117 4.587 4.470 -0.000 0.000 0.288 744 S C 1.240 175.896 174.600 0.093 0.000 1.318 744 S CA 0.378 58.634 58.200 0.093 0.000 1.056 744 S CB 0.975 64.236 63.200 0.103 0.000 0.853 744 S HN 0.606 nan 8.310 nan 0.000 0.505 745 S N 2.821 118.561 115.700 0.067 0.000 2.378 745 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 745 S C 2.086 176.747 174.600 0.102 0.000 1.052 745 S CA 2.596 60.837 58.200 0.069 0.000 1.084 745 S CB -1.683 61.541 63.200 0.040 0.000 0.950 745 S HN 1.104 nan 8.310 nan 0.000 0.440 746 T N -0.315 114.289 114.554 0.085 0.000 2.777 746 T HA 0.181 4.531 4.350 -0.000 0.000 0.266 746 T C 2.017 176.779 174.700 0.104 0.000 1.040 746 T CA 1.397 63.550 62.100 0.088 0.000 1.141 746 T CB -1.026 67.886 68.868 0.074 0.000 0.868 746 T HN 0.521 nan 8.240 nan 0.000 0.444 747 A N 1.474 124.343 122.820 0.081 0.000 1.930 747 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 747 A C 2.201 179.760 177.584 -0.042 0.000 1.175 747 A CA 2.036 54.070 52.037 -0.005 0.000 0.627 747 A CB -1.259 17.709 19.000 -0.053 0.000 0.815 747 A HN 0.768 nan 8.150 nan 0.000 0.443 748 H N 0.026 119.086 119.070 -0.015 0.000 2.319 748 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 748 H C 2.078 177.462 175.328 0.092 0.000 1.092 748 H CA 2.387 58.469 56.048 0.056 0.000 1.302 748 H CB -0.214 29.574 29.762 0.044 0.000 1.373 748 H HN 0.584 nan 8.280 nan 0.000 0.497 749 Q N -1.133 118.639 119.800 -0.047 0.000 2.167 749 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 749 Q C 2.121 178.094 176.000 -0.046 0.000 0.970 749 Q CA 1.169 56.908 55.803 -0.107 0.000 0.855 749 Q CB -0.121 28.602 28.738 -0.025 0.000 0.911 749 Q HN 0.640 nan 8.270 nan 0.000 0.438 750 H N 0.846 119.885 119.070 -0.051 0.000 2.363 750 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 750 H C 1.975 177.306 175.328 0.005 0.000 1.074 750 H CA 1.073 57.130 56.048 0.016 0.000 1.354 750 H CB 0.050 29.881 29.762 0.115 0.000 1.397 750 H HN 0.259 nan 8.280 nan 0.000 0.516 751 I N 0.057 120.621 120.570 -0.010 0.000 2.252 751 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 751 I C 1.702 177.601 176.117 -0.364 0.000 1.102 751 I CA 1.175 62.370 61.300 -0.174 0.000 1.385 751 I CB -0.227 37.452 38.000 -0.536 0.000 1.064 751 I HN 0.126 nan 8.210 nan 0.000 0.414 752 Y N 0.724 120.816 120.300 -0.346 0.000 2.314 752 Y HA -0.168 4.382 4.550 -0.000 0.000 0.293 752 Y C 2.698 178.404 175.900 -0.325 0.000 1.129 752 Y CA 1.704 59.487 58.100 -0.529 0.000 1.201 752 Y CB -0.664 37.468 38.460 -0.546 0.000 0.999 752 Y HN 0.116 nan 8.280 nan 0.000 0.541 753 T N -1.714 112.772 114.554 -0.114 0.000 2.777 753 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 753 T C 1.541 176.150 174.700 -0.151 0.000 1.040 753 T CA 1.761 63.759 62.100 -0.170 0.000 1.141 753 T CB -0.363 68.396 68.868 -0.180 0.000 0.868 753 T HN 0.405 nan 8.240 nan 0.000 0.444 754 H N 0.676 119.662 119.070 -0.140 0.000 2.357 754 H HA 0.152 4.707 4.556 -0.000 0.000 0.301 754 H C 2.119 177.459 175.328 0.020 0.000 1.082 754 H CA 1.440 57.484 56.048 -0.007 0.000 1.342 754 H CB -0.182 29.578 29.762 -0.005 0.000 1.389 754 H HN 0.259 nan 8.280 nan 0.000 0.511 755 M N -0.973 118.592 119.600 -0.058 0.000 2.229 755 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 755 M C 2.402 178.833 176.300 0.218 0.000 1.063 755 M CA 1.258 56.524 55.300 -0.056 0.000 1.114 755 M CB 0.125 32.450 32.600 -0.459 0.000 1.387 755 M HN 0.175 nan 8.290 nan 0.000 0.420 756 S N -0.569 115.274 115.700 0.238 0.000 2.348 756 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 756 S C 1.736 176.428 174.600 0.154 0.000 1.033 756 S CA 1.071 59.473 58.200 0.336 0.000 1.010 756 S CB -0.564 62.783 63.200 0.245 0.000 0.891 756 S HN 0.461 nan 8.310 nan 0.000 0.442 757 H N 0.016 119.143 119.070 0.095 0.000 2.319 757 H HA -0.103 4.453 4.556 -0.000 0.000 0.297 757 H C 2.007 177.341 175.328 0.010 0.000 1.097 757 H CA 1.569 57.629 56.048 0.020 0.000 1.285 757 H CB -0.885 28.840 29.762 -0.062 0.000 1.368 757 H HN 0.425 nan 8.280 nan 0.000 0.495 758 F N 1.289 121.230 119.950 -0.015 0.000 2.069 758 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 758 F C 2.378 178.139 175.800 -0.064 0.000 1.113 758 F CA 1.072 59.032 58.000 -0.066 0.000 1.214 758 F CB -0.399 38.541 39.000 -0.100 0.000 0.978 758 F HN -0.025 nan 8.300 nan 0.000 0.474 759 I N 0.724 121.280 120.570 -0.024 0.000 2.142 759 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 759 I C 2.306 178.231 176.117 -0.320 0.000 1.078 759 I CA 1.484 62.601 61.300 -0.306 0.000 1.343 759 I CB -1.351 36.526 38.000 -0.207 0.000 1.046 759 I HN 0.197 nan 8.210 nan 0.000 0.405 760 K N 0.377 120.728 120.400 -0.082 0.000 2.113 760 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 760 K C 1.994 178.591 176.600 -0.005 0.000 1.047 760 K CA 1.261 57.556 56.287 0.014 0.000 0.928 760 K CB -0.330 32.222 32.500 0.087 0.000 0.716 760 K HN 0.455 nan 8.250 nan 0.000 0.446 761 Q N 1.126 120.883 119.800 -0.072 0.000 2.119 761 Q HA -0.164 4.175 4.340 -0.000 0.000 0.201 761 Q C 2.233 178.150 176.000 -0.138 0.000 0.972 761 Q CA 1.529 57.275 55.803 -0.094 0.000 0.847 761 Q CB -0.361 28.307 28.738 -0.118 0.000 0.903 761 Q HN 0.394 nan 8.270 nan 0.000 0.433 762 c N 0.097 118.522 118.600 -0.292 0.000 2.446 762 c HA -0.007 4.563 4.570 -0.000 0.000 0.279 762 c C 2.276 176.430 174.090 0.105 0.000 1.366 762 c CA 0.162 56.348 56.329 -0.238 0.000 1.763 762 c CB -1.176 41.030 42.510 -0.507 0.000 1.929 762 c HN 0.531 nan 8.230 nan 0.000 0.509 763 F N 1.084 120.989 119.950 -0.076 0.000 2.274 763 F HA 0.278 4.805 4.527 -0.000 0.000 0.288 763 F C 1.999 177.780 175.800 -0.033 0.000 1.069 763 F CA 0.332 58.309 58.000 -0.038 0.000 1.343 763 F CB -1.315 37.670 39.000 -0.026 0.000 1.089 763 F HN 0.066 nan 8.300 nan 0.000 0.517 764 S N 0.000 115.802 115.700 0.170 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.250 58.200 0.083 0.000 1.107 764 S CB 0.000 63.238 63.200 0.064 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517