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 3hab_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.738 174.700 0.064 0.000 1.109 39 T CA 0.000 62.130 62.100 0.049 0.000 1.349 39 T CB 0.000 68.895 68.868 0.045 0.000 0.612 40 R N 2.546 123.091 120.500 0.075 0.000 2.585 40 R HA 0.194 4.531 4.340 -0.004 0.000 0.275 40 R C 1.058 177.413 176.300 0.093 0.000 1.018 40 R CA -0.326 55.824 56.100 0.082 0.000 1.072 40 R CB 0.649 30.997 30.300 0.081 0.000 0.953 40 R HN 0.641 nan 8.270 nan 0.000 0.419 41 K N 0.871 121.330 120.400 0.099 0.000 2.234 41 K HA 0.046 4.364 4.320 -0.004 0.000 0.251 41 K C 0.187 176.863 176.600 0.125 0.000 1.011 41 K CA -0.227 56.127 56.287 0.113 0.000 0.889 41 K CB 0.303 32.879 32.500 0.127 0.000 1.011 41 K HN 0.646 nan 8.250 nan 0.000 0.505 42 T N -2.139 112.499 114.554 0.140 0.000 2.897 42 T HA 0.150 4.498 4.350 -0.004 0.000 0.278 42 T C -0.665 174.171 174.700 0.227 0.000 0.981 42 T CA -0.798 61.400 62.100 0.163 0.000 0.973 42 T CB 0.519 69.480 68.868 0.155 0.000 1.092 42 T HN 0.544 nan 8.240 nan 0.000 0.543 43 Y N 2.353 122.726 120.300 0.121 0.000 2.504 43 Y HA 0.392 4.940 4.550 -0.004 0.000 0.351 43 Y C 0.877 176.938 175.900 0.267 0.000 0.988 43 Y CA -0.433 57.776 58.100 0.182 0.000 1.239 43 Y CB -0.126 38.399 38.460 0.108 0.000 1.128 43 Y HN 1.023 nan 8.280 nan 0.000 0.525 44 T N 2.250 116.800 114.554 -0.007 0.000 2.862 44 T HA 0.138 4.486 4.350 -0.004 0.000 0.276 44 T C 0.943 175.529 174.700 -0.190 0.000 0.974 44 T CA -0.716 61.418 62.100 0.057 0.000 0.966 44 T CB 1.233 70.105 68.868 0.007 0.000 1.072 44 T HN 0.683 nan 8.240 nan 0.000 0.538 45 L N 0.961 121.880 121.223 -0.508 0.000 2.046 45 L HA 0.022 4.360 4.340 -0.004 0.000 0.208 45 L C 2.649 179.363 176.870 -0.259 0.000 1.077 45 L CA 2.173 56.614 54.840 -0.664 0.000 0.747 45 L CB -1.456 40.067 42.059 -0.893 0.000 0.896 45 L HN 0.966 nan 8.230 nan 0.000 0.432 46 T N -0.625 113.805 114.554 -0.207 0.000 2.746 46 T HA -0.171 4.176 4.350 -0.004 0.000 0.267 46 T C 1.490 176.094 174.700 -0.160 0.000 1.039 46 T CA 1.387 63.400 62.100 -0.146 0.000 1.142 46 T CB -0.453 68.353 68.868 -0.103 0.000 0.866 46 T HN 0.387 nan 8.240 nan 0.000 0.444 47 D N 0.317 120.588 120.400 -0.214 0.000 2.106 47 D HA -0.129 4.508 4.640 -0.004 0.000 0.191 47 D C 1.760 177.945 176.300 -0.191 0.000 0.997 47 D CA 1.275 55.109 54.000 -0.278 0.000 0.834 47 D CB -0.518 39.995 40.800 -0.477 0.000 0.956 47 D HN 0.424 nan 8.370 nan 0.000 0.448 48 Y N 1.360 121.454 120.300 -0.343 0.000 2.114 48 Y HA -0.123 4.425 4.550 -0.004 0.000 0.284 48 Y C 2.240 178.144 175.900 0.006 0.000 1.143 48 Y CA 1.288 59.368 58.100 -0.032 0.000 1.135 48 Y CB -0.632 37.876 38.460 0.080 0.000 0.980 48 Y HN -0.073 nan 8.280 nan 0.000 0.499 49 L N -0.100 120.948 121.223 -0.291 0.000 2.217 49 L HA -0.138 4.200 4.340 -0.004 0.000 0.211 49 L C 1.811 178.572 176.870 -0.181 0.000 1.107 49 L CA 1.083 55.733 54.840 -0.316 0.000 0.783 49 L CB -0.379 41.568 42.059 -0.187 0.000 0.919 49 L HN 0.062 nan 8.230 nan 0.000 0.442 50 K N -0.716 119.600 120.400 -0.140 0.000 2.374 50 K HA 0.097 4.415 4.320 -0.004 0.000 0.196 50 K C 0.339 176.886 176.600 -0.087 0.000 1.023 50 K CA -0.120 56.106 56.287 -0.102 0.000 1.103 50 K CB -0.162 32.280 32.500 -0.096 0.000 0.848 50 K HN 0.119 nan 8.250 nan 0.000 0.528 51 N N 1.718 120.376 118.700 -0.070 0.000 2.738 51 N HA -0.183 4.555 4.740 -0.004 0.000 0.249 51 N C 0.789 176.282 175.510 -0.029 0.000 1.047 51 N CA 1.085 54.133 53.050 -0.003 0.000 0.707 51 N CB -0.786 37.694 38.487 -0.011 0.000 0.937 51 N HN 0.413 nan 8.380 nan 0.000 0.545 52 T N -2.228 112.257 114.554 -0.115 0.000 2.951 52 T HA -0.087 4.260 4.350 -0.004 0.000 0.268 52 T C 0.501 175.000 174.700 -0.336 0.000 1.073 52 T CA 1.084 63.015 62.100 -0.282 0.000 1.134 52 T CB -0.073 68.531 68.868 -0.441 0.000 0.884 52 T HN 0.291 nan 8.240 nan 0.000 0.479 53 Y N 1.743 122.132 120.300 0.149 0.000 2.593 53 Y HA 0.588 5.135 4.550 -0.004 0.000 0.331 53 Y C 0.367 176.374 175.900 0.179 0.000 0.986 53 Y CA -1.251 56.961 58.100 0.186 0.000 1.262 53 Y CB 0.559 39.189 38.460 0.284 0.000 1.098 53 Y HN 0.016 nan 8.280 nan 0.000 0.506 54 R N 3.285 123.926 120.500 0.234 0.000 2.294 54 R HA 0.497 4.835 4.340 -0.004 0.000 0.319 54 R C -0.906 175.495 176.300 0.168 0.000 0.984 54 R CA -0.645 55.558 56.100 0.170 0.000 0.861 54 R CB 0.719 31.077 30.300 0.098 0.000 1.104 54 R HN 0.682 nan 8.270 nan 0.000 0.451 55 L N 4.824 126.153 121.223 0.176 0.000 2.477 55 L HA 0.102 4.440 4.340 -0.004 0.000 0.272 55 L C 0.445 177.389 176.870 0.122 0.000 1.157 55 L CA 0.523 55.462 54.840 0.164 0.000 0.889 55 L CB 0.383 42.557 42.059 0.192 0.000 1.158 55 L HN 0.454 nan 8.230 nan 0.000 0.473 56 K N 3.373 123.839 120.400 0.110 0.000 2.218 56 K HA 0.493 4.811 4.320 -0.004 0.000 0.276 56 K C -0.696 175.935 176.600 0.051 0.000 1.022 56 K CA -0.720 55.610 56.287 0.071 0.000 0.946 56 K CB 1.287 33.827 32.500 0.066 0.000 1.000 56 K HN 0.240 nan 8.250 nan 0.000 0.468 57 L N 1.700 122.882 121.223 -0.068 0.000 2.298 57 L HA 0.400 4.737 4.340 -0.004 0.000 0.268 57 L C -0.958 175.625 176.870 -0.479 0.000 1.010 57 L CA -0.578 54.078 54.840 -0.307 0.000 0.812 57 L CB 0.588 42.574 42.059 -0.121 0.000 1.331 57 L HN 0.476 nan 8.230 nan 0.000 0.450 58 Y N 0.107 119.817 120.300 -0.983 0.000 2.628 58 Y HA 0.426 4.973 4.550 -0.004 0.000 0.354 58 Y C -0.644 175.089 175.900 -0.279 0.000 1.061 58 Y CA -0.447 57.332 58.100 -0.534 0.000 1.251 58 Y CB 1.114 39.165 38.460 -0.681 0.000 1.098 58 Y HN 0.478 nan 8.280 nan 0.000 0.626 59 S N 5.988 121.611 115.700 -0.129 0.000 2.416 59 S HA 0.507 4.975 4.470 -0.004 0.000 0.287 59 S C -0.636 173.936 174.600 -0.048 0.000 1.139 59 S CA -0.536 57.629 58.200 -0.060 0.000 1.058 59 S CB -0.193 62.975 63.200 -0.053 0.000 0.967 59 S HN 0.554 nan 8.310 nan 0.000 0.495 60 L N 1.617 122.779 121.223 -0.103 0.000 2.303 60 L HA 0.788 5.126 4.340 -0.004 0.000 0.266 60 L C -0.287 176.489 176.870 -0.155 0.000 1.011 60 L CA -0.933 53.808 54.840 -0.166 0.000 0.818 60 L CB 0.859 42.529 42.059 -0.649 0.000 1.326 60 L HN 0.340 nan 8.230 nan 0.000 0.435 61 R N 0.799 121.248 120.500 -0.085 0.000 2.435 61 R HA 0.359 4.696 4.340 -0.004 0.000 0.308 61 R C -1.739 174.574 176.300 0.023 0.000 0.975 61 R CA -0.323 55.768 56.100 -0.014 0.000 0.867 61 R CB 1.111 31.438 30.300 0.044 0.000 1.171 61 R HN 0.674 nan 8.270 nan 0.000 0.470 62 W N 4.257 125.651 121.300 0.156 0.000 2.308 62 W HA 0.099 4.757 4.660 -0.004 0.000 0.324 62 W C 1.531 178.117 176.519 0.111 0.000 1.387 62 W CA -0.392 57.052 57.345 0.165 0.000 1.250 62 W CB 0.404 29.953 29.460 0.149 0.000 1.257 62 W HN 0.669 nan 8.180 nan 0.000 0.554 63 I N 0.523 121.289 120.570 0.327 0.000 4.139 63 I HA 0.315 4.482 4.170 -0.004 0.000 0.335 63 I C 0.665 176.875 176.117 0.155 0.000 1.327 63 I CA -0.065 61.339 61.300 0.172 0.000 1.112 63 I CB -0.124 37.908 38.000 0.052 0.000 1.058 63 I HN 0.241 nan 8.210 nan 0.000 0.396 64 S N -0.778 115.046 115.700 0.207 0.000 2.714 64 S HA 0.259 4.727 4.470 -0.004 0.000 0.280 64 S C -0.204 174.402 174.600 0.009 0.000 1.200 64 S CA -0.280 57.961 58.200 0.068 0.000 0.900 64 S CB 1.031 64.244 63.200 0.020 0.000 1.235 64 S HN 0.034 nan 8.310 nan 0.000 0.512 65 D N 0.119 120.358 120.400 -0.268 0.000 2.363 65 D HA 0.151 4.788 4.640 -0.004 0.000 0.220 65 D C 0.946 177.170 176.300 -0.127 0.000 0.994 65 D CA 1.163 54.987 54.000 -0.292 0.000 0.890 65 D CB -0.079 40.544 40.800 -0.295 0.000 0.906 65 D HN 0.662 nan 8.370 nan 0.000 0.530 66 H N -2.697 116.569 119.070 0.326 0.000 3.474 66 H HA 0.388 4.942 4.556 -0.004 0.000 0.259 66 H C -0.325 175.173 175.328 0.282 0.000 1.164 66 H CA -0.345 55.906 56.048 0.339 0.000 1.078 66 H CB 0.361 30.303 29.762 0.301 0.000 1.957 66 H HN 0.007 nan 8.280 nan 0.000 0.765 67 E N 1.412 121.890 120.200 0.463 0.000 2.293 67 E HA 0.377 4.725 4.350 -0.004 0.000 0.270 67 E C -1.609 175.203 176.600 0.353 0.000 0.879 67 E CA -1.133 55.448 56.400 0.301 0.000 0.756 67 E CB 3.106 32.923 29.700 0.195 0.000 1.208 67 E HN 0.283 nan 8.360 nan 0.000 0.428 68 Y N -0.038 120.299 120.300 0.061 0.000 2.545 68 Y HA 0.623 5.170 4.550 -0.004 0.000 0.348 68 Y C -1.404 174.491 175.900 -0.008 0.000 1.002 68 Y CA -1.312 56.713 58.100 -0.126 0.000 1.039 68 Y CB 0.824 38.879 38.460 -0.675 0.000 1.271 68 Y HN 0.299 nan 8.280 nan 0.000 0.467 69 L N 3.463 124.790 121.223 0.174 0.000 2.325 69 L HA 0.440 4.778 4.340 -0.004 0.000 0.279 69 L C -1.256 175.820 176.870 0.343 0.000 1.054 69 L CA -0.883 54.051 54.840 0.156 0.000 0.804 69 L CB 1.255 43.344 42.059 0.050 0.000 1.200 69 L HN 0.777 nan 8.230 nan 0.000 0.436 70 Y N 2.794 123.203 120.300 0.183 0.000 2.396 70 Y HA 0.276 4.824 4.550 -0.004 0.000 0.332 70 Y C -0.489 175.448 175.900 0.062 0.000 1.034 70 Y CA -1.199 56.956 58.100 0.092 0.000 1.057 70 Y CB 1.578 40.101 38.460 0.106 0.000 1.220 70 Y HN 0.435 nan 8.280 nan 0.000 0.440 71 K N 5.116 125.180 120.400 -0.560 0.000 2.316 71 K HA 0.231 4.548 4.320 -0.004 0.000 0.289 71 K C -1.000 175.221 176.600 -0.632 0.000 1.070 71 K CA -0.194 55.822 56.287 -0.451 0.000 0.928 71 K CB 0.535 32.858 32.500 -0.295 0.000 1.039 71 K HN 0.831 nan 8.250 nan 0.000 0.480 72 Q N 4.133 123.778 119.800 -0.259 0.000 2.290 72 Q HA 0.105 4.443 4.340 -0.004 0.000 0.269 72 Q C -1.208 174.756 176.000 -0.061 0.000 1.016 72 Q CA -0.269 55.465 55.803 -0.115 0.000 0.754 72 Q CB 1.067 29.875 28.738 0.116 0.000 1.247 72 Q HN 0.713 nan 8.270 nan 0.000 0.451 73 E N 3.398 123.559 120.200 -0.064 0.000 2.416 73 E HA -0.369 3.979 4.350 -0.004 0.000 0.249 73 E C -0.407 176.159 176.600 -0.057 0.000 1.124 73 E CA 0.796 57.169 56.400 -0.045 0.000 0.732 73 E CB -1.816 27.872 29.700 -0.021 0.000 1.286 73 E HN 1.091 nan 8.360 nan 0.000 0.394 74 N N -1.536 117.117 118.700 -0.079 0.000 2.900 74 N HA -0.199 4.539 4.740 -0.004 0.000 0.240 74 N C -0.211 175.248 175.510 -0.085 0.000 0.953 74 N CA 1.110 54.114 53.050 -0.078 0.000 0.950 74 N CB -0.581 37.872 38.487 -0.056 0.000 1.102 74 N HN 0.376 nan 8.380 nan 0.000 0.593 75 N N 0.997 119.649 118.700 -0.080 0.000 2.513 75 N HA 0.320 5.058 4.740 -0.004 0.000 0.274 75 N C -0.232 175.225 175.510 -0.087 0.000 1.189 75 N CA 0.199 53.202 53.050 -0.078 0.000 0.975 75 N CB 1.041 39.496 38.487 -0.054 0.000 1.157 75 N HN 0.134 nan 8.380 nan 0.000 0.465 76 I N 2.479 123.003 120.570 -0.076 0.000 2.312 76 I HA 0.244 4.412 4.170 -0.004 0.000 0.290 76 I C 0.050 176.197 176.117 0.050 0.000 1.008 76 I CA -0.425 60.846 61.300 -0.049 0.000 1.226 76 I CB 0.736 38.665 38.000 -0.118 0.000 1.371 76 I HN 0.171 nan 8.210 nan 0.000 0.468 77 L N 6.665 127.931 121.223 0.072 0.000 2.343 77 L HA 0.549 4.887 4.340 -0.004 0.000 0.275 77 L C -0.173 176.722 176.870 0.041 0.000 1.056 77 L CA -0.882 53.980 54.840 0.035 0.000 0.804 77 L CB 1.909 43.968 42.059 -0.000 0.000 1.203 77 L HN 0.310 nan 8.230 nan 0.000 0.440 78 V N 2.908 122.779 119.914 -0.071 0.000 2.398 78 V HA 0.458 4.575 4.120 -0.004 0.000 0.286 78 V C -0.797 175.113 176.094 -0.307 0.000 1.026 78 V CA -0.211 62.028 62.300 -0.102 0.000 0.868 78 V CB 1.278 33.098 31.823 -0.005 0.000 0.982 78 V HN 0.437 nan 8.190 nan 0.000 0.443 79 F N 5.374 125.071 119.950 -0.423 0.000 2.443 79 F HA 0.465 4.990 4.527 -0.004 0.000 0.335 79 F C 0.615 176.152 175.800 -0.438 0.000 1.104 79 F CA -0.441 57.222 58.000 -0.563 0.000 1.013 79 F CB 1.500 39.793 39.000 -1.178 0.000 1.136 79 F HN 0.479 nan 8.300 nan 0.000 0.470 80 N N 2.401 121.058 118.700 -0.071 0.000 2.406 80 N HA 0.178 4.916 4.740 -0.004 0.000 0.251 80 N C 0.591 176.073 175.510 -0.048 0.000 1.069 80 N CA 0.155 53.198 53.050 -0.012 0.000 0.947 80 N CB 1.604 40.127 38.487 0.060 0.000 1.111 80 N HN 0.836 nan 8.380 nan 0.000 0.497 81 A N 4.135 126.896 122.820 -0.098 0.000 1.883 81 A HA -0.194 4.124 4.320 -0.004 0.000 0.217 81 A C 1.916 179.245 177.584 -0.425 0.000 1.186 81 A CA 1.599 53.487 52.037 -0.247 0.000 0.624 81 A CB -0.519 18.174 19.000 -0.512 0.000 0.822 81 A HN 0.872 nan 8.150 nan 0.000 0.444 82 E N -1.647 118.254 120.200 -0.498 0.000 2.077 82 E HA -0.202 4.146 4.350 -0.004 0.000 0.193 82 E C 1.450 177.747 176.600 -0.505 0.000 0.989 82 E CA 1.616 57.716 56.400 -0.499 0.000 0.800 82 E CB -0.161 29.138 29.700 -0.669 0.000 0.746 82 E HN 0.823 nan 8.360 nan 0.000 0.452 83 Y N -2.040 118.252 120.300 -0.013 0.000 2.462 83 Y HA 0.304 4.852 4.550 -0.004 0.000 0.253 83 Y C 1.534 177.438 175.900 0.006 0.000 1.095 83 Y CA -0.038 58.061 58.100 -0.002 0.000 1.283 83 Y CB 1.395 39.853 38.460 -0.003 0.000 1.138 83 Y HN 0.223 nan 8.280 nan 0.000 0.522 84 G N 1.282 110.157 108.800 0.124 0.000 2.179 84 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.260 84 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.260 84 G C -0.009 175.011 174.900 0.200 0.000 0.977 84 G CA 0.271 45.464 45.100 0.156 0.000 0.641 84 G HN 0.459 nan 8.290 nan 0.000 0.533 85 N N 0.603 119.373 118.700 0.116 0.000 2.503 85 N HA 0.552 5.289 4.740 -0.004 0.000 0.267 85 N C 0.050 175.466 175.510 -0.157 0.000 1.214 85 N CA 0.677 53.731 53.050 0.006 0.000 0.959 85 N CB 1.507 39.996 38.487 0.003 0.000 1.142 85 N HN 0.937 nan 8.380 nan 0.000 0.455 86 S N -0.470 115.041 115.700 -0.314 0.000 2.627 86 S HA 0.766 5.234 4.470 -0.004 0.000 0.283 86 S C -0.873 173.532 174.600 -0.324 0.000 1.127 86 S CA -0.803 57.056 58.200 -0.569 0.000 0.863 86 S CB 1.523 63.944 63.200 -1.299 0.000 1.121 86 S HN 0.652 nan 8.310 nan 0.000 0.479 87 S N -0.135 115.396 115.700 -0.282 0.000 2.697 87 S HA 0.660 5.128 4.470 -0.004 0.000 0.289 87 S C -0.960 173.567 174.600 -0.121 0.000 1.149 87 S CA -0.809 57.298 58.200 -0.155 0.000 0.850 87 S CB 1.453 64.601 63.200 -0.088 0.000 1.151 87 S HN 0.784 nan 8.310 nan 0.000 0.491 88 V N 2.446 122.315 119.914 -0.076 0.000 2.455 88 V HA 0.239 4.357 4.120 -0.004 0.000 0.273 88 V C 0.458 176.556 176.094 0.006 0.000 1.045 88 V CA -0.011 62.264 62.300 -0.043 0.000 0.976 88 V CB 0.086 31.870 31.823 -0.065 0.000 0.993 88 V HN 0.919 nan 8.190 nan 0.000 0.475 89 F N 4.807 124.701 119.950 -0.094 0.000 2.179 89 F HA 0.274 4.798 4.527 -0.004 0.000 0.292 89 F C 0.655 176.410 175.800 -0.075 0.000 1.089 89 F CA 1.106 59.065 58.000 -0.068 0.000 1.295 89 F CB 0.514 39.487 39.000 -0.045 0.000 1.041 89 F HN 0.350 nan 8.300 nan 0.000 0.487 90 L N 1.222 122.440 121.223 -0.008 0.000 2.504 90 L HA 0.248 4.585 4.340 -0.004 0.000 0.265 90 L C -0.533 176.258 176.870 -0.132 0.000 0.975 90 L CA -0.542 54.220 54.840 -0.129 0.000 0.864 90 L CB 1.180 43.203 42.059 -0.060 0.000 1.212 90 L HN -0.037 nan 8.230 nan 0.000 0.416 91 E N 1.385 121.482 120.200 -0.172 0.000 2.442 91 E HA -0.084 4.264 4.350 -0.004 0.000 0.262 91 E C 0.659 177.160 176.600 -0.165 0.000 1.004 91 E CA 0.180 56.488 56.400 -0.153 0.000 0.928 91 E CB 0.875 30.482 29.700 -0.155 0.000 0.937 91 E HN 0.715 nan 8.360 nan 0.000 0.446 92 N N 1.288 119.917 118.700 -0.118 0.000 2.272 92 N HA -0.231 4.506 4.740 -0.004 0.000 0.185 92 N C 1.240 176.687 175.510 -0.105 0.000 1.014 92 N CA 1.744 54.736 53.050 -0.097 0.000 0.870 92 N CB -0.158 38.287 38.487 -0.071 0.000 0.975 92 N HN 0.273 nan 8.380 nan 0.000 0.433 93 S N -2.549 113.072 115.700 -0.132 0.000 2.575 93 S HA 0.106 4.574 4.470 -0.004 0.000 0.215 93 S C 1.380 175.851 174.600 -0.215 0.000 0.966 93 S CA 0.040 58.162 58.200 -0.130 0.000 0.911 93 S CB -0.642 62.496 63.200 -0.104 0.000 0.780 93 S HN 0.251 nan 8.310 nan 0.000 0.514 94 T N 1.845 116.175 114.554 -0.373 0.000 2.720 94 T HA -0.011 4.337 4.350 -0.004 0.000 0.268 94 T C 0.198 174.393 174.700 -0.841 0.000 1.037 94 T CA 1.284 62.953 62.100 -0.718 0.000 1.144 94 T CB -0.454 67.728 68.868 -1.144 0.000 0.864 94 T HN 0.590 nan 8.240 nan 0.000 0.444 95 F N 1.021 120.868 119.950 -0.172 0.000 2.923 95 F HA 0.383 4.908 4.527 -0.004 0.000 0.314 95 F C 0.933 176.721 175.800 -0.020 0.000 1.196 95 F CA -1.272 56.653 58.000 -0.125 0.000 1.320 95 F CB -0.078 38.744 39.000 -0.298 0.000 0.953 95 F HN -0.073 nan 8.300 nan 0.000 0.505 96 D N 0.557 120.991 120.400 0.057 0.000 2.097 96 D HA -0.134 4.503 4.640 -0.004 0.000 0.197 96 D C 1.631 177.973 176.300 0.070 0.000 0.984 96 D CA 1.446 55.474 54.000 0.046 0.000 0.826 96 D CB 0.116 40.911 40.800 -0.007 0.000 0.973 96 D HN 0.197 nan 8.370 nan 0.000 0.460 97 E N -0.783 119.462 120.200 0.075 0.000 2.403 97 E HA 0.085 4.432 4.350 -0.004 0.000 0.187 97 E C 0.892 177.554 176.600 0.104 0.000 1.073 97 E CA -0.293 56.142 56.400 0.058 0.000 0.888 97 E CB -0.346 29.372 29.700 0.031 0.000 1.035 97 E HN 0.166 nan 8.360 nan 0.000 0.471 98 F N 0.360 120.320 119.950 0.018 0.000 2.234 98 F HA 0.007 4.531 4.527 -0.004 0.000 0.299 98 F C 1.844 177.580 175.800 -0.106 0.000 1.087 98 F CA 1.691 59.693 58.000 0.004 0.000 1.340 98 F CB 0.053 39.071 39.000 0.029 0.000 1.031 98 F HN 0.185 nan 8.300 nan 0.000 0.500 99 G N -0.684 108.023 108.800 -0.156 0.000 2.179 99 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.260 99 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.260 99 G C 0.123 174.640 174.900 -0.638 0.000 0.977 99 G CA 0.410 45.276 45.100 -0.390 0.000 0.641 99 G HN 0.559 nan 8.290 nan 0.000 0.533 100 H N -0.556 118.437 119.070 -0.130 0.000 2.895 100 H HA 0.584 5.138 4.556 -0.003 0.000 0.373 100 H C -0.505 174.906 175.328 0.138 0.000 1.174 100 H CA -0.040 55.986 56.048 -0.036 0.000 1.144 100 H CB 1.714 31.311 29.762 -0.275 0.000 1.793 100 H HN 0.158 nan 8.280 nan 0.000 0.551 101 S N 2.092 117.930 115.700 0.230 0.000 2.474 101 S HA 0.245 4.713 4.470 -0.004 0.000 0.276 101 S C 0.220 174.919 174.600 0.164 0.000 1.227 101 S CA -0.673 57.621 58.200 0.156 0.000 1.050 101 S CB -0.611 62.653 63.200 0.106 0.000 0.939 101 S HN 0.356 nan 8.310 nan 0.000 0.490 102 I N 5.612 126.226 120.570 0.073 0.000 2.396 102 I HA 0.147 4.315 4.170 -0.004 0.000 0.289 102 I C 1.440 177.563 176.117 0.010 0.000 1.056 102 I CA -0.269 61.035 61.300 0.007 0.000 1.365 102 I CB 0.849 38.734 38.000 -0.190 0.000 1.407 102 I HN 0.725 nan 8.210 nan 0.000 0.509 103 N N 3.689 122.398 118.700 0.015 0.000 2.250 103 N HA -0.056 4.681 4.740 -0.004 0.000 0.181 103 N C -0.048 175.420 175.510 -0.069 0.000 1.017 103 N CA 1.119 54.130 53.050 -0.065 0.000 0.866 103 N CB 0.380 38.792 38.487 -0.124 0.000 0.985 103 N HN 0.664 nan 8.380 nan 0.000 0.429 104 D N -2.766 117.631 120.400 -0.005 0.000 2.671 104 D HA 0.186 4.824 4.640 -0.004 0.000 0.273 104 D C -1.735 174.651 176.300 0.144 0.000 1.264 104 D CA -0.515 53.512 54.000 0.045 0.000 0.788 104 D CB 0.786 41.568 40.800 -0.029 0.000 1.324 104 D HN 0.072 nan 8.370 nan 0.000 0.424 105 Y N -1.210 119.110 120.300 0.033 0.000 2.615 105 Y HA 0.771 5.319 4.550 -0.003 0.000 0.341 105 Y C -1.280 174.706 175.900 0.143 0.000 1.089 105 Y CA -0.950 57.192 58.100 0.071 0.000 1.049 105 Y CB 1.809 40.295 38.460 0.043 0.000 1.296 105 Y HN 0.152 nan 8.280 nan 0.000 0.470 106 S N 3.149 118.990 115.700 0.235 0.000 2.706 106 S HA 0.581 5.048 4.470 -0.004 0.000 0.270 106 S C -1.498 173.392 174.600 0.484 0.000 1.163 106 S CA -0.720 57.628 58.200 0.246 0.000 1.042 106 S CB 0.153 63.525 63.200 0.286 0.000 1.079 106 S HN 0.642 nan 8.310 nan 0.000 0.474 107 I N 4.340 125.090 120.570 0.301 0.000 2.519 107 I HA 0.282 4.449 4.170 -0.004 0.000 0.287 107 I C 1.210 177.162 176.117 -0.274 0.000 1.047 107 I CA -0.333 61.060 61.300 0.155 0.000 1.381 107 I CB 0.983 39.071 38.000 0.146 0.000 1.417 107 I HN 0.786 nan 8.210 nan 0.000 0.540 108 S N 5.937 121.171 115.700 -0.776 0.000 2.576 108 S HA 0.218 4.686 4.470 -0.004 0.000 0.276 108 S C -1.743 172.567 174.600 -0.483 0.000 1.339 108 S CA -0.899 56.483 58.200 -1.364 0.000 1.039 108 S CB 0.892 63.147 63.200 -1.576 0.000 0.902 108 S HN 0.434 nan 8.310 nan 0.000 0.516 109 P HA -0.169 nan 4.420 nan 0.000 0.217 109 P C 0.710 177.967 177.300 -0.072 0.000 1.151 109 P CA 1.672 64.700 63.100 -0.121 0.000 0.849 109 P CB -0.196 31.452 31.700 -0.087 0.000 0.787 110 D N -2.201 118.156 120.400 -0.073 0.000 2.328 110 D HA 0.098 4.736 4.640 -0.004 0.000 0.226 110 D C 1.336 177.636 176.300 -0.001 0.000 1.066 110 D CA 0.474 54.470 54.000 -0.006 0.000 0.861 110 D CB -1.215 39.614 40.800 0.047 0.000 0.912 110 D HN 0.202 nan 8.370 nan 0.000 0.521 111 G N 0.448 109.234 108.800 -0.023 0.000 2.187 111 G HA2 -0.416 3.542 3.960 -0.004 0.000 0.261 111 G HA3 -0.416 3.542 3.960 -0.004 0.000 0.261 111 G C 0.898 175.787 174.900 -0.018 0.000 1.000 111 G CA 0.673 45.800 45.100 0.045 0.000 0.718 111 G HN 0.475 nan 8.290 nan 0.000 0.519 112 Q N -1.780 117.942 119.800 -0.130 0.000 2.354 112 Q HA 0.362 4.700 4.340 -0.004 0.000 0.203 112 Q C 0.181 175.721 176.000 -0.768 0.000 0.933 112 Q CA 0.645 56.193 55.803 -0.425 0.000 0.901 112 Q CB 0.377 28.840 28.738 -0.457 0.000 1.007 112 Q HN 0.580 nan 8.270 nan 0.000 0.495 113 F N -0.622 119.266 119.950 -0.103 0.000 2.613 113 F HA 0.482 5.006 4.527 -0.004 0.000 0.310 113 F C -0.667 175.210 175.800 0.128 0.000 1.085 113 F CA -1.165 56.842 58.000 0.011 0.000 0.945 113 F CB 1.723 40.751 39.000 0.046 0.000 1.298 113 F HN -0.212 nan 8.300 nan 0.000 0.455 114 I N 3.054 123.941 120.570 0.528 0.000 2.465 114 I HA 0.548 4.715 4.170 -0.004 0.000 0.291 114 I C -1.757 174.705 176.117 0.574 0.000 1.014 114 I CA -1.083 60.541 61.300 0.540 0.000 1.093 114 I CB 1.543 39.829 38.000 0.476 0.000 1.267 114 I HN 0.568 nan 8.210 nan 0.000 0.431 115 L N 8.320 129.911 121.223 0.614 0.000 2.265 115 L HA 0.476 4.814 4.340 -0.004 0.000 0.288 115 L C -1.281 175.755 176.870 0.276 0.000 1.058 115 L CA 0.017 55.089 54.840 0.387 0.000 0.809 115 L CB 0.902 43.093 42.059 0.220 0.000 1.179 115 L HN 0.517 nan 8.230 nan 0.000 0.429 116 L N 5.366 126.696 121.223 0.177 0.000 2.280 116 L HA 0.475 4.813 4.340 -0.004 0.000 0.287 116 L C -0.007 176.943 176.870 0.133 0.000 1.023 116 L CA -0.363 54.496 54.840 0.032 0.000 0.819 116 L CB 1.348 43.213 42.059 -0.323 0.000 1.212 116 L HN 0.624 nan 8.230 nan 0.000 0.420 117 E N 4.190 124.437 120.200 0.079 0.000 2.174 117 E HA 0.401 4.749 4.350 -0.004 0.000 0.282 117 E C -1.508 175.083 176.600 -0.015 0.000 0.992 117 E CA -0.483 55.842 56.400 -0.126 0.000 0.803 117 E CB 0.952 30.649 29.700 -0.005 0.000 1.090 117 E HN 0.453 nan 8.360 nan 0.000 0.396 118 Y N 1.673 121.819 120.300 -0.257 0.000 2.715 118 Y HA 0.434 4.982 4.550 -0.003 0.000 0.331 118 Y C -0.187 175.629 175.900 -0.140 0.000 1.197 118 Y CA -1.602 56.429 58.100 -0.115 0.000 1.079 118 Y CB 0.437 38.903 38.460 0.011 0.000 1.298 118 Y HN 0.475 nan 8.280 nan 0.000 0.477 119 N N -0.185 118.533 118.700 0.030 0.000 2.727 119 N HA -0.301 4.436 4.740 -0.004 0.000 0.249 119 N C -1.111 174.367 175.510 -0.053 0.000 1.048 119 N CA 1.003 54.022 53.050 -0.053 0.000 0.714 119 N CB -1.542 36.819 38.487 -0.210 0.000 0.959 119 N HN 0.835 nan 8.380 nan 0.000 0.544 120 Y N 0.115 120.353 120.300 -0.103 0.000 2.569 120 Y HA 0.282 4.829 4.550 -0.004 0.000 0.332 120 Y C -0.029 175.843 175.900 -0.047 0.000 1.120 120 Y CA -0.072 57.967 58.100 -0.101 0.000 1.416 120 Y CB 0.649 39.006 38.460 -0.171 0.000 1.210 120 Y HN 0.006 nan 8.280 nan 0.000 0.528 121 V N 8.194 127.794 119.914 -0.524 0.000 2.380 121 V HA 0.192 4.310 4.120 -0.004 0.000 0.286 121 V C -0.181 175.540 176.094 -0.620 0.000 1.015 121 V CA -1.429 60.594 62.300 -0.462 0.000 0.834 121 V CB 1.193 32.888 31.823 -0.213 0.000 1.009 121 V HN 0.734 nan 8.190 nan 0.000 0.428 122 K N 3.716 123.698 120.400 -0.696 0.000 2.485 122 K HA 0.120 4.438 4.320 -0.004 0.000 0.277 122 K C 0.459 176.890 176.600 -0.281 0.000 0.990 122 K CA 0.382 56.431 56.287 -0.396 0.000 0.994 122 K CB 1.022 33.463 32.500 -0.098 0.000 0.906 122 K HN 0.822 nan 8.250 nan 0.000 0.488 123 Q N 3.039 122.661 119.800 -0.298 0.000 2.729 123 Q HA 0.167 4.504 4.340 -0.004 0.000 0.228 123 Q C 0.009 175.768 176.000 -0.402 0.000 1.021 123 Q CA -0.353 55.087 55.803 -0.606 0.000 0.561 123 Q CB 0.070 28.273 28.738 -0.893 0.000 3.921 123 Q HN 0.726 nan 8.270 nan 0.000 0.430 124 W N 0.157 121.450 121.300 -0.010 0.000 1.756 124 W HA 0.373 5.031 4.660 -0.004 0.000 0.638 124 W C 1.873 178.373 176.519 -0.032 0.000 1.472 124 W CA -0.676 56.684 57.345 0.025 0.000 1.437 124 W CB -0.212 29.230 29.460 -0.031 0.000 3.368 124 W HN 0.284 nan 8.180 nan 0.000 0.771 125 R N -0.663 119.906 120.500 0.115 0.000 2.075 125 R HA -0.131 4.207 4.340 -0.004 0.000 0.232 125 R C 1.803 177.938 176.300 -0.274 0.000 1.126 125 R CA 1.691 57.695 56.100 -0.160 0.000 0.963 125 R CB -0.367 29.688 30.300 -0.408 0.000 0.858 125 R HN 0.493 nan 8.270 nan 0.000 0.435 126 H N -1.101 118.046 119.070 0.129 0.000 2.695 126 H HA 0.157 4.711 4.556 -0.004 0.000 0.267 126 H C 0.702 176.135 175.328 0.175 0.000 0.973 126 H CA 0.521 56.669 56.048 0.166 0.000 1.223 126 H CB 0.110 29.941 29.762 0.113 0.000 1.442 126 H HN 0.140 nan 8.280 nan 0.000 0.478 127 S N 1.338 117.052 115.700 0.024 0.000 2.585 127 S HA 0.366 4.834 4.470 -0.004 0.000 0.273 127 S C -0.280 174.225 174.600 -0.158 0.000 1.339 127 S CA -0.476 57.460 58.200 -0.440 0.000 1.028 127 S CB 0.667 63.036 63.200 -1.386 0.000 0.906 127 S HN 0.454 nan 8.310 nan 0.000 0.528 128 Y N -2.239 117.947 120.300 -0.190 0.000 2.741 128 Y HA 0.671 5.219 4.550 -0.004 0.000 0.339 128 Y C -0.738 175.154 175.900 -0.014 0.000 1.226 128 Y CA -0.922 57.063 58.100 -0.193 0.000 1.072 128 Y CB 0.509 38.833 38.460 -0.228 0.000 1.331 128 Y HN 0.874 nan 8.280 nan 0.000 0.453 129 T N -0.106 114.500 114.554 0.087 0.000 2.942 129 T HA 1.011 5.359 4.350 -0.004 0.000 0.289 129 T C -0.490 174.301 174.700 0.152 0.000 1.044 129 T CA -0.194 61.977 62.100 0.119 0.000 1.023 129 T CB 1.758 70.651 68.868 0.042 0.000 1.123 129 T HN 1.834 nan 8.240 nan 0.000 0.512 130 A N 0.826 123.697 122.820 0.084 0.000 2.601 130 A HA 0.749 5.067 4.320 -0.004 0.000 0.291 130 A C -0.485 176.847 177.584 -0.419 0.000 1.075 130 A CA -0.981 50.942 52.037 -0.190 0.000 0.671 130 A CB 1.116 19.959 19.000 -0.262 0.000 1.277 130 A HN 0.854 nan 8.150 nan 0.000 0.417 131 S N -0.540 114.694 115.700 -0.776 0.000 2.654 131 S HA 0.779 5.247 4.470 -0.004 0.000 0.283 131 S C -1.409 172.466 174.600 -1.209 0.000 1.180 131 S CA -0.024 57.617 58.200 -0.932 0.000 1.021 131 S CB 0.548 62.985 63.200 -1.271 0.000 1.018 131 S HN 0.455 nan 8.310 nan 0.000 0.532 132 Y N 0.075 120.130 120.300 -0.407 0.000 2.433 132 Y HA 0.423 4.971 4.550 -0.004 0.000 0.337 132 Y C -0.330 175.598 175.900 0.047 0.000 1.026 132 Y CA -0.919 57.094 58.100 -0.144 0.000 1.037 132 Y CB 1.708 40.037 38.460 -0.218 0.000 1.245 132 Y HN 0.504 nan 8.280 nan 0.000 0.443 133 D N 2.624 123.239 120.400 0.359 0.000 2.350 133 D HA 0.592 5.229 4.640 -0.004 0.000 0.238 133 D C -0.859 175.572 176.300 0.219 0.000 0.989 133 D CA -0.346 53.834 54.000 0.300 0.000 0.921 133 D CB 2.598 43.663 40.800 0.442 0.000 1.297 133 D HN 0.406 nan 8.370 nan 0.000 0.490 134 I N 1.636 122.331 120.570 0.208 0.000 2.433 134 I HA 0.231 4.399 4.170 -0.004 0.000 0.292 134 I C -1.008 175.323 176.117 0.357 0.000 1.001 134 I CA -0.963 60.496 61.300 0.265 0.000 1.119 134 I CB 1.588 39.694 38.000 0.175 0.000 1.289 134 I HN 0.215 nan 8.210 nan 0.000 0.438 135 Y N 5.640 126.111 120.300 0.284 0.000 2.335 135 Y HA 0.302 4.850 4.550 -0.004 0.000 0.338 135 Y C -0.188 175.904 175.900 0.320 0.000 0.977 135 Y CA -0.700 57.570 58.100 0.285 0.000 1.114 135 Y CB 1.111 39.752 38.460 0.302 0.000 1.182 135 Y HN 0.482 nan 8.280 nan 0.000 0.463 136 D N 6.399 126.706 120.400 -0.155 0.000 2.336 136 D HA 0.072 4.710 4.640 -0.004 0.000 0.249 136 D C 0.668 176.649 176.300 -0.531 0.000 1.213 136 D CA 0.358 54.210 54.000 -0.247 0.000 0.870 136 D CB 0.935 41.659 40.800 -0.126 0.000 1.076 136 D HN 0.881 nan 8.370 nan 0.000 0.483 137 L N 3.756 124.750 121.223 -0.380 0.000 2.093 137 L HA -0.120 4.218 4.340 -0.004 0.000 0.208 137 L C 2.065 178.774 176.870 -0.268 0.000 1.085 137 L CA 0.622 55.321 54.840 -0.235 0.000 0.755 137 L CB -0.207 41.761 42.059 -0.151 0.000 0.904 137 L HN 0.395 nan 8.230 nan 0.000 0.435 138 N N 0.030 118.541 118.700 -0.315 0.000 2.409 138 N HA -0.107 4.631 4.740 -0.004 0.000 0.179 138 N C 1.521 176.910 175.510 -0.202 0.000 1.032 138 N CA 0.978 53.887 53.050 -0.235 0.000 0.898 138 N CB 0.114 38.464 38.487 -0.228 0.000 0.971 138 N HN 0.373 nan 8.380 nan 0.000 0.441 139 K N 0.393 120.649 120.400 -0.239 0.000 2.361 139 K HA 0.233 4.551 4.320 -0.004 0.000 0.194 139 K C -0.100 176.376 176.600 -0.208 0.000 1.032 139 K CA -0.161 56.014 56.287 -0.187 0.000 1.048 139 K CB 0.604 33.010 32.500 -0.157 0.000 0.842 139 K HN -0.026 nan 8.250 nan 0.000 0.526 140 R N 1.540 121.855 120.500 -0.309 0.000 3.333 140 R HA -0.197 4.141 4.340 -0.004 0.000 0.256 140 R C -0.908 175.197 176.300 -0.325 0.000 1.010 140 R CA 0.684 56.603 56.100 -0.301 0.000 0.680 140 R CB -1.774 28.486 30.300 -0.067 0.000 1.102 140 R HN 0.388 nan 8.270 nan 0.000 0.440 141 Q N 0.235 119.689 119.800 -0.578 0.000 2.331 141 Q HA 0.347 4.684 4.340 -0.004 0.000 0.272 141 Q C -0.842 175.020 176.000 -0.230 0.000 1.062 141 Q CA -1.129 54.525 55.803 -0.247 0.000 0.806 141 Q CB 2.369 31.040 28.738 -0.112 0.000 1.312 141 Q HN 0.062 nan 8.270 nan 0.000 0.431 142 L N 2.506 123.826 121.223 0.162 0.000 2.426 142 L HA 0.288 4.626 4.340 -0.004 0.000 0.271 142 L C -0.601 176.369 176.870 0.168 0.000 1.169 142 L CA 0.422 55.449 54.840 0.311 0.000 0.836 142 L CB 0.539 42.849 42.059 0.420 0.000 1.112 142 L HN 0.538 nan 8.230 nan 0.000 0.465 143 I N 3.508 124.182 120.570 0.172 0.000 2.371 143 I HA 0.153 4.320 4.170 -0.004 0.000 0.290 143 I C 0.950 177.122 176.117 0.091 0.000 1.028 143 I CA 0.133 61.499 61.300 0.110 0.000 1.345 143 I CB 1.148 39.205 38.000 0.094 0.000 1.407 143 I HN 0.815 nan 8.210 nan 0.000 0.501 144 T N 0.492 115.081 114.554 0.058 0.000 2.985 144 T HA 0.269 4.616 4.350 -0.004 0.000 0.254 144 T C 0.426 175.132 174.700 0.009 0.000 1.021 144 T CA -0.258 61.867 62.100 0.041 0.000 0.957 144 T CB 0.042 68.934 68.868 0.039 0.000 1.047 144 T HN 0.420 nan 8.240 nan 0.000 0.511 145 E N 1.782 121.982 120.200 -0.001 0.000 2.214 145 E HA 0.485 4.833 4.350 -0.004 0.000 0.274 145 E C -0.323 176.250 176.600 -0.045 0.000 0.977 145 E CA -0.681 55.705 56.400 -0.023 0.000 0.827 145 E CB 0.625 30.314 29.700 -0.017 0.000 1.130 145 E HN 0.057 nan 8.360 nan 0.000 0.394 146 E N 1.081 121.240 120.200 -0.069 0.000 2.252 146 E HA -0.257 4.090 4.350 -0.004 0.000 0.218 146 E C -0.784 175.739 176.600 -0.127 0.000 1.253 146 E CA 0.558 56.898 56.400 -0.099 0.000 0.705 146 E CB -1.284 28.367 29.700 -0.082 0.000 1.172 146 E HN 0.461 nan 8.360 nan 0.000 0.369 147 R N -0.173 120.244 120.500 -0.138 0.000 2.594 147 R HA 0.333 4.671 4.340 -0.004 0.000 0.272 147 R C 1.075 177.200 176.300 -0.293 0.000 1.074 147 R CA -0.501 55.502 56.100 -0.160 0.000 1.105 147 R CB 0.493 30.730 30.300 -0.106 0.000 1.008 147 R HN 0.131 nan 8.270 nan 0.000 0.472 148 I N 5.103 125.459 120.570 -0.358 0.000 2.741 148 I HA -0.046 4.122 4.170 -0.004 0.000 0.288 148 I C -1.547 174.262 176.117 -0.514 0.000 1.192 148 I CA -0.975 59.948 61.300 -0.627 0.000 1.426 148 I CB 0.136 37.773 38.000 -0.604 0.000 1.367 148 I HN 0.367 nan 8.210 nan 0.000 0.563 149 P HA 0.076 nan 4.420 nan 0.000 0.272 149 P C -0.856 176.232 177.300 -0.353 0.000 1.240 149 P CA -0.403 62.322 63.100 -0.625 0.000 0.791 149 P CB 0.426 31.371 31.700 -1.260 0.000 0.978 150 N N 1.903 120.478 118.700 -0.208 0.000 2.415 150 N HA 0.003 4.741 4.740 -0.004 0.000 0.248 150 N C 0.667 176.236 175.510 0.100 0.000 1.271 150 N CA 0.279 53.278 53.050 -0.085 0.000 0.913 150 N CB -0.428 38.020 38.487 -0.065 0.000 1.129 150 N HN 0.439 nan 8.380 nan 0.000 0.444 151 N N -1.171 117.577 118.700 0.081 0.000 2.776 151 N HA -0.151 4.587 4.740 -0.004 0.000 0.250 151 N C -0.846 174.837 175.510 0.287 0.000 1.112 151 N CA 0.660 53.805 53.050 0.158 0.000 0.733 151 N CB -1.671 36.917 38.487 0.169 0.000 1.097 151 N HN 0.485 nan 8.380 nan 0.000 0.558 152 T N 0.877 115.594 114.554 0.270 0.000 2.901 152 T HA 0.117 4.464 4.350 -0.004 0.000 0.301 152 T C 1.696 176.552 174.700 0.259 0.000 1.012 152 T CA 0.163 62.443 62.100 0.301 0.000 1.135 152 T CB 1.328 70.275 68.868 0.132 0.000 0.936 152 T HN 0.167 nan 8.240 nan 0.000 0.539 153 Q N 1.543 121.484 119.800 0.236 0.000 2.297 153 Q HA 0.172 4.510 4.340 -0.004 0.000 0.203 153 Q C 0.081 176.230 176.000 0.248 0.000 0.931 153 Q CA 0.359 56.312 55.803 0.250 0.000 0.885 153 Q CB 0.812 29.656 28.738 0.177 0.000 0.991 153 Q HN 0.702 nan 8.270 nan 0.000 0.498 154 W N -0.189 121.059 121.300 -0.087 0.000 3.571 154 W HA 0.501 5.159 4.660 -0.004 0.000 0.294 154 W C -2.311 174.105 176.519 -0.171 0.000 1.257 154 W CA -0.714 56.530 57.345 -0.168 0.000 1.206 154 W CB 1.298 30.593 29.460 -0.274 0.000 1.325 154 W HN -0.284 nan 8.180 nan 0.000 0.546 155 V N 4.683 123.879 119.914 -1.197 0.000 2.888 155 V HA 0.789 4.907 4.120 -0.004 0.000 0.309 155 V C -1.474 173.998 176.094 -1.037 0.000 1.114 155 V CA -0.106 61.637 62.300 -0.929 0.000 0.940 155 V CB 2.309 33.532 31.823 -1.001 0.000 1.021 155 V HN 0.575 nan 8.190 nan 0.000 0.426 156 T N 5.778 120.058 114.554 -0.458 0.000 3.032 156 T HA 0.481 4.828 4.350 -0.004 0.000 0.312 156 T C -1.108 173.615 174.700 0.038 0.000 1.078 156 T CA -0.329 61.688 62.100 -0.137 0.000 1.028 156 T CB 0.721 69.759 68.868 0.284 0.000 1.091 156 T HN 0.707 nan 8.240 nan 0.000 0.457 157 W N 3.578 124.913 121.300 0.058 0.000 2.187 157 W HA 0.322 4.980 4.660 -0.004 0.000 0.348 157 W C 1.381 177.751 176.519 -0.248 0.000 1.282 157 W CA -0.461 56.865 57.345 -0.030 0.000 1.271 157 W CB 0.454 29.897 29.460 -0.028 0.000 1.170 157 W HN 0.797 nan 8.180 nan 0.000 0.583 158 S N 1.930 117.345 115.700 -0.476 0.000 2.576 158 S HA 0.069 4.536 4.470 -0.004 0.000 0.272 158 S C -1.763 172.565 174.600 -0.453 0.000 1.352 158 S CA -0.961 56.450 58.200 -1.315 0.000 1.021 158 S CB 0.753 63.117 63.200 -1.393 0.000 0.887 158 S HN 0.299 nan 8.310 nan 0.000 0.542 159 P HA 0.132 nan 4.420 nan 0.000 0.226 159 P C -0.307 176.940 177.300 -0.088 0.000 1.153 159 P CA 0.502 63.553 63.100 -0.083 0.000 0.777 159 P CB 0.097 31.788 31.700 -0.014 0.000 0.794 160 V N -1.825 117.991 119.914 -0.162 0.000 2.876 160 V HA 0.664 4.782 4.120 -0.004 0.000 0.312 160 V C 0.778 176.763 176.094 -0.181 0.000 1.085 160 V CA -0.003 62.219 62.300 -0.130 0.000 0.945 160 V CB 1.110 32.868 31.823 -0.108 0.000 1.017 160 V HN 0.388 nan 8.190 nan 0.000 0.428 161 G N 2.962 111.676 108.800 -0.144 0.000 2.531 161 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.274 161 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.274 161 G C 0.169 174.986 174.900 -0.138 0.000 1.159 161 G CA 0.640 45.625 45.100 -0.192 0.000 0.969 161 G HN 1.863 nan 8.290 nan 0.000 0.554 162 H N -0.473 118.586 119.070 -0.018 0.000 3.038 162 H HA 0.401 4.955 4.556 -0.004 0.000 0.238 162 H C 0.282 175.768 175.328 0.263 0.000 1.246 162 H CA -0.091 56.008 56.048 0.086 0.000 0.966 162 H CB -0.256 29.567 29.762 0.101 0.000 2.394 162 H HN 0.524 nan 8.280 nan 0.000 0.633 163 K N 1.659 122.092 120.400 0.056 0.000 2.319 163 K HA 0.423 4.741 4.320 -0.004 0.000 0.265 163 K C -0.394 176.309 176.600 0.172 0.000 1.000 163 K CA -0.174 56.146 56.287 0.056 0.000 0.943 163 K CB 1.415 33.796 32.500 -0.198 0.000 0.950 163 K HN 0.149 nan 8.250 nan 0.000 0.485 164 L N 1.253 122.600 121.223 0.207 0.000 2.386 164 L HA 0.534 4.872 4.340 -0.004 0.000 0.271 164 L C -0.837 176.247 176.870 0.357 0.000 0.993 164 L CA -0.833 54.095 54.840 0.147 0.000 0.819 164 L CB 2.123 44.111 42.059 -0.119 0.000 1.294 164 L HN 0.686 nan 8.230 nan 0.000 0.414 165 A N 2.633 125.679 122.820 0.377 0.000 2.342 165 A HA 0.821 5.138 4.320 -0.004 0.000 0.323 165 A C -1.448 176.171 177.584 0.058 0.000 1.125 165 A CA -0.363 51.749 52.037 0.126 0.000 0.785 165 A CB 0.964 19.913 19.000 -0.086 0.000 1.221 165 A HN 0.654 nan 8.150 nan 0.000 0.463 166 Y N -0.485 119.776 120.300 -0.064 0.000 2.609 166 Y HA 0.774 5.322 4.550 -0.004 0.000 0.342 166 Y C -1.120 174.794 175.900 0.023 0.000 1.058 166 Y CA -1.594 56.450 58.100 -0.093 0.000 1.055 166 Y CB 1.227 39.568 38.460 -0.197 0.000 1.292 166 Y HN 0.370 nan 8.280 nan 0.000 0.476 167 V N 1.996 122.045 119.914 0.225 0.000 2.448 167 V HA 0.367 4.485 4.120 -0.004 0.000 0.295 167 V C -1.467 174.847 176.094 0.365 0.000 1.025 167 V CA -0.641 61.764 62.300 0.175 0.000 0.859 167 V CB 1.232 33.068 31.823 0.021 0.000 0.988 167 V HN 0.880 nan 8.190 nan 0.000 0.431 168 W N 5.004 126.415 121.300 0.185 0.000 3.042 168 W HA 0.458 5.116 4.660 -0.004 0.000 0.337 168 W C 0.257 176.842 176.519 0.111 0.000 1.086 168 W CA -0.701 56.727 57.345 0.139 0.000 1.236 168 W CB 1.248 30.773 29.460 0.108 0.000 1.381 168 W HN 0.782 nan 8.180 nan 0.000 0.472 169 N N 5.187 123.498 118.700 -0.648 0.000 2.716 169 N HA -0.345 4.393 4.740 -0.004 0.000 0.250 169 N C -0.032 175.307 175.510 -0.286 0.000 1.033 169 N CA 1.029 53.714 53.050 -0.607 0.000 0.727 169 N CB -0.880 37.004 38.487 -1.005 0.000 0.950 169 N HN 0.721 nan 8.380 nan 0.000 0.541 170 N N -1.583 117.021 118.700 -0.161 0.000 2.828 170 N HA -0.150 4.588 4.740 -0.004 0.000 0.248 170 N C -1.387 174.041 175.510 -0.135 0.000 1.044 170 N CA 1.640 54.615 53.050 -0.126 0.000 0.851 170 N CB -0.518 37.855 38.487 -0.191 0.000 1.136 170 N HN 0.539 nan 8.380 nan 0.000 0.572 171 D N -0.183 120.140 120.400 -0.128 0.000 2.350 171 D HA 0.504 5.141 4.640 -0.004 0.000 0.238 171 D C 0.478 176.582 176.300 -0.326 0.000 0.989 171 D CA -0.448 53.386 54.000 -0.277 0.000 0.921 171 D CB 1.374 41.938 40.800 -0.393 0.000 1.297 171 D HN -0.010 nan 8.370 nan 0.000 0.490 172 I N 1.427 121.641 120.570 -0.594 0.000 2.396 172 I HA 0.248 4.415 4.170 -0.004 0.000 0.292 172 I C -0.716 174.888 176.117 -0.856 0.000 0.999 172 I CA -0.469 60.470 61.300 -0.602 0.000 1.310 172 I CB 0.604 38.174 38.000 -0.717 0.000 1.404 172 I HN 0.156 nan 8.210 nan 0.000 0.496 173 Y N 3.995 123.911 120.300 -0.640 0.000 2.512 173 Y HA 0.627 5.174 4.550 -0.004 0.000 0.348 173 Y C -0.379 175.173 175.900 -0.579 0.000 0.990 173 Y CA -0.958 56.717 58.100 -0.708 0.000 1.033 173 Y CB 2.054 39.820 38.460 -1.155 0.000 1.259 173 Y HN 0.108 nan 8.280 nan 0.000 0.461 174 V N 2.961 122.803 119.914 -0.120 0.000 2.540 174 V HA 0.454 4.572 4.120 -0.004 0.000 0.302 174 V C -0.844 175.370 176.094 0.200 0.000 1.035 174 V CA -1.406 60.929 62.300 0.058 0.000 0.873 174 V CB 1.875 33.759 31.823 0.101 0.000 0.992 174 V HN 0.626 nan 8.190 nan 0.000 0.428 175 K N 4.520 125.048 120.400 0.213 0.000 2.274 175 K HA 0.520 4.838 4.320 -0.004 0.000 0.262 175 K C 0.278 177.013 176.600 0.226 0.000 0.961 175 K CA -0.773 55.637 56.287 0.205 0.000 0.833 175 K CB 2.021 34.600 32.500 0.132 0.000 1.102 175 K HN 0.395 nan 8.250 nan 0.000 0.436 176 I N 1.177 121.900 120.570 0.256 0.000 2.406 176 I HA -0.046 4.122 4.170 -0.004 0.000 0.249 176 I C 0.422 176.648 176.117 0.182 0.000 1.122 176 I CA 1.387 62.808 61.300 0.203 0.000 1.431 176 I CB -0.238 37.891 38.000 0.214 0.000 1.087 176 I HN 0.588 nan 8.210 nan 0.000 0.424 177 E N 0.196 120.491 120.200 0.159 0.000 2.238 177 E HA 0.277 4.625 4.350 -0.004 0.000 0.267 177 E C -1.921 174.673 176.600 -0.009 0.000 0.887 177 E CA -1.934 54.535 56.400 0.115 0.000 0.769 177 E CB 1.754 31.518 29.700 0.106 0.000 1.187 177 E HN -0.136 nan 8.360 nan 0.000 0.416 178 P HA -0.168 nan 4.420 nan 0.000 0.217 178 P C 0.842 178.062 177.300 -0.134 0.000 1.148 178 P CA 1.322 64.273 63.100 -0.250 0.000 0.828 178 P CB 0.288 31.590 31.700 -0.663 0.000 0.783 179 N N -1.346 117.301 118.700 -0.089 0.000 2.280 179 N HA 0.016 4.754 4.740 -0.004 0.000 0.192 179 N C 0.196 175.688 175.510 -0.030 0.000 1.109 179 N CA 0.218 53.245 53.050 -0.039 0.000 0.855 179 N CB -0.198 38.286 38.487 -0.004 0.000 0.974 179 N HN 0.170 nan 8.380 nan 0.000 0.482 180 L N 0.636 121.844 121.223 -0.025 0.000 2.358 180 L HA 0.524 4.862 4.340 -0.004 0.000 0.268 180 L C -2.245 174.585 176.870 -0.067 0.000 1.032 180 L CA -2.262 52.562 54.840 -0.028 0.000 0.805 180 L CB 1.103 43.167 42.059 0.008 0.000 1.253 180 L HN -0.205 nan 8.230 nan 0.000 0.452 181 P HA 0.039 nan 4.420 nan 0.000 0.267 181 P C -0.771 176.376 177.300 -0.255 0.000 1.200 181 P CA -0.002 62.996 63.100 -0.171 0.000 0.772 181 P CB 0.551 32.136 31.700 -0.191 0.000 0.855 182 S N 1.159 116.756 115.700 -0.171 0.000 2.592 182 S HA 0.243 4.711 4.470 -0.004 0.000 0.271 182 S C -0.478 173.968 174.600 -0.256 0.000 1.326 182 S CA 0.014 58.148 58.200 -0.110 0.000 1.024 182 S CB -0.145 63.077 63.200 0.037 0.000 0.921 182 S HN 0.237 nan 8.310 nan 0.000 0.527 183 Y N 1.105 121.429 120.300 0.041 0.000 2.335 183 Y HA 0.398 4.946 4.550 -0.004 0.000 0.339 183 Y C 0.638 176.469 175.900 -0.115 0.000 0.987 183 Y CA -0.676 57.428 58.100 0.006 0.000 1.140 183 Y CB 0.700 39.162 38.460 0.003 0.000 1.173 183 Y HN 0.507 nan 8.280 nan 0.000 0.486 184 R N 3.245 123.689 120.500 -0.093 0.000 2.389 184 R HA 0.228 4.565 4.340 -0.004 0.000 0.295 184 R C 0.087 175.993 176.300 -0.656 0.000 1.075 184 R CA 0.017 55.703 56.100 -0.689 0.000 1.005 184 R CB 0.368 30.095 30.300 -0.955 0.000 0.987 184 R HN 0.762 nan 8.270 nan 0.000 0.452 185 I N 1.942 122.047 120.570 -0.774 0.000 3.445 185 I HA 0.023 4.190 4.170 -0.004 0.000 0.288 185 I C 0.854 176.721 176.117 -0.416 0.000 1.198 185 I CA 0.759 61.788 61.300 -0.450 0.000 1.417 185 I CB -0.316 37.404 38.000 -0.467 0.000 1.205 185 I HN 0.671 nan 8.210 nan 0.000 0.448 186 T N -3.745 110.398 114.554 -0.685 0.000 2.893 186 T HA 0.389 4.737 4.350 -0.004 0.000 0.291 186 T C -0.119 174.281 174.700 -0.499 0.000 1.028 186 T CA -0.514 61.349 62.100 -0.394 0.000 0.995 186 T CB 2.217 70.850 68.868 -0.391 0.000 1.051 186 T HN 0.214 nan 8.240 nan 0.000 0.470 187 W N 0.814 122.002 121.300 -0.186 0.000 2.714 187 W HA 0.106 4.764 4.660 -0.004 0.000 0.353 187 W C 1.543 178.004 176.519 -0.097 0.000 0.999 187 W CA 0.121 57.391 57.345 -0.125 0.000 1.629 187 W CB 0.588 29.996 29.460 -0.088 0.000 1.106 187 W HN 0.949 nan 8.180 nan 0.000 0.545 188 T N -2.339 112.253 114.554 0.063 0.000 3.081 188 T HA 0.167 4.515 4.350 -0.004 0.000 0.250 188 T C 1.248 175.935 174.700 -0.021 0.000 1.100 188 T CA 0.238 62.358 62.100 0.032 0.000 1.038 188 T CB 0.031 68.917 68.868 0.030 0.000 0.962 188 T HN -0.050 nan 8.240 nan 0.000 0.516 189 G N 1.301 110.056 108.800 -0.075 0.000 2.265 189 G HA2 0.332 4.290 3.960 -0.004 0.000 0.240 189 G HA3 0.332 4.290 3.960 -0.004 0.000 0.240 189 G C -0.599 174.230 174.900 -0.119 0.000 1.270 189 G CA -0.360 44.671 45.100 -0.114 0.000 0.901 189 G HN 0.564 nan 8.290 nan 0.000 0.507 190 K N 1.919 122.227 120.400 -0.153 0.000 2.588 190 K HA 0.161 4.479 4.320 -0.004 0.000 0.250 190 K C -0.195 176.280 176.600 -0.207 0.000 0.972 190 K CA -0.653 55.550 56.287 -0.140 0.000 0.821 190 K CB 1.584 34.037 32.500 -0.079 0.000 1.249 190 K HN 0.645 nan 8.250 nan 0.000 0.442 191 E N 3.186 123.276 120.200 -0.184 0.000 2.608 191 E HA -0.160 4.187 4.350 -0.004 0.000 0.259 191 E C -0.525 175.981 176.600 -0.157 0.000 0.951 191 E CA 1.071 57.362 56.400 -0.182 0.000 0.945 191 E CB 0.275 29.906 29.700 -0.115 0.000 0.916 191 E HN 0.660 nan 8.360 nan 0.000 0.477 192 D N 2.334 122.624 120.400 -0.183 0.000 3.006 192 D HA -0.240 4.397 4.640 -0.004 0.000 0.208 192 D C 0.573 176.887 176.300 0.023 0.000 1.116 192 D CA 1.381 55.386 54.000 0.009 0.000 0.998 192 D CB -0.487 40.360 40.800 0.078 0.000 1.124 192 D HN 0.421 nan 8.370 nan 0.000 0.413 193 I N -0.933 119.552 120.570 -0.142 0.000 3.669 193 I HA 0.101 4.269 4.170 -0.004 0.000 0.255 193 I C 0.749 176.887 176.117 0.035 0.000 1.144 193 I CA 0.371 61.674 61.300 0.006 0.000 1.447 193 I CB 0.192 38.193 38.000 0.001 0.000 1.622 193 I HN -0.142 nan 8.210 nan 0.000 0.435 194 I N 1.572 122.086 120.570 -0.093 0.000 2.406 194 I HA 0.276 4.444 4.170 -0.004 0.000 0.290 194 I C -1.267 174.784 176.117 -0.110 0.000 0.999 194 I CA -0.531 60.779 61.300 0.016 0.000 1.124 194 I CB 0.917 38.932 38.000 0.026 0.000 1.289 194 I HN 0.061 nan 8.210 nan 0.000 0.441 195 Y N 4.578 124.966 120.300 0.147 0.000 2.345 195 Y HA 0.389 4.937 4.550 -0.004 0.000 0.331 195 Y C 0.317 176.277 175.900 0.099 0.000 0.959 195 Y CA -0.704 57.485 58.100 0.148 0.000 1.204 195 Y CB 1.161 39.797 38.460 0.293 0.000 1.135 195 Y HN 0.421 nan 8.280 nan 0.000 0.477 196 N N 2.249 121.009 118.700 0.101 0.000 2.444 196 N HA 0.341 5.079 4.740 -0.004 0.000 0.262 196 N C 0.839 176.291 175.510 -0.097 0.000 0.974 196 N CA 0.468 53.511 53.050 -0.011 0.000 0.933 196 N CB 1.861 40.245 38.487 -0.171 0.000 1.137 196 N HN 0.987 nan 8.380 nan 0.000 0.498 197 G N 1.572 110.331 108.800 -0.069 0.000 2.179 197 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.260 197 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.260 197 G C 0.136 174.881 174.900 -0.258 0.000 0.977 197 G CA 0.735 45.714 45.100 -0.203 0.000 0.641 197 G HN 0.657 nan 8.290 nan 0.000 0.533 198 I N -1.649 118.846 120.570 -0.126 0.000 2.934 198 I HA 0.810 4.977 4.170 -0.004 0.000 0.306 198 I C 0.388 176.546 176.117 0.068 0.000 1.110 198 I CA -0.678 60.471 61.300 -0.251 0.000 1.019 198 I CB 1.996 39.682 38.000 -0.523 0.000 1.227 198 I HN 0.153 nan 8.210 nan 0.000 0.434 199 T N -0.338 114.193 114.554 -0.039 0.000 2.899 199 T HA 0.318 4.665 4.350 -0.004 0.000 0.284 199 T C -0.120 174.380 174.700 -0.335 0.000 1.004 199 T CA -0.671 61.288 62.100 -0.234 0.000 1.043 199 T CB 1.179 69.991 68.868 -0.092 0.000 1.013 199 T HN 0.766 nan 8.240 nan 0.000 0.518 200 D N 0.423 120.363 120.400 -0.766 0.000 2.447 200 D HA 0.001 4.638 4.640 -0.004 0.000 0.265 200 D C 1.014 177.240 176.300 -0.123 0.000 1.250 200 D CA -1.060 52.503 54.000 -0.728 0.000 1.046 200 D CB 0.121 40.473 40.800 -0.747 0.000 1.095 200 D HN 0.727 nan 8.370 nan 0.000 0.555 201 W N 0.123 121.367 121.300 -0.094 0.000 2.317 201 W HA -0.230 4.428 4.660 -0.004 0.000 0.318 201 W C 2.137 178.561 176.519 -0.158 0.000 1.227 201 W CA 2.380 59.669 57.345 -0.093 0.000 1.269 201 W CB -0.385 28.955 29.460 -0.200 0.000 1.155 201 W HN 0.190 nan 8.180 nan 0.000 0.484 202 V N -0.317 119.690 119.914 0.155 0.000 2.591 202 V HA -0.248 3.869 4.120 -0.004 0.000 0.249 202 V C 1.824 177.767 176.094 -0.252 0.000 1.053 202 V CA 1.816 64.104 62.300 -0.021 0.000 1.068 202 V CB -0.712 31.096 31.823 -0.024 0.000 0.689 202 V HN 0.284 nan 8.190 nan 0.000 0.462 203 Y N 0.849 120.990 120.300 -0.265 0.000 2.242 203 Y HA -0.193 4.355 4.550 -0.004 0.000 0.291 203 Y C 2.574 178.382 175.900 -0.152 0.000 1.137 203 Y CA 2.205 60.149 58.100 -0.260 0.000 1.181 203 Y CB -0.110 38.067 38.460 -0.471 0.000 0.989 203 Y HN 0.402 nan 8.280 nan 0.000 0.527 204 E N 0.407 120.586 120.200 -0.036 0.000 2.031 204 E HA -0.305 4.042 4.350 -0.004 0.000 0.193 204 E C 2.066 178.627 176.600 -0.064 0.000 0.994 204 E CA 1.628 58.028 56.400 -0.000 0.000 0.800 204 E CB -0.071 29.626 29.700 -0.006 0.000 0.752 204 E HN 0.405 nan 8.360 nan 0.000 0.447 205 E N 0.113 120.083 120.200 -0.382 0.000 2.072 205 E HA -0.165 4.182 4.350 -0.004 0.000 0.190 205 E C 1.645 178.140 176.600 -0.176 0.000 0.982 205 E CA 1.586 57.748 56.400 -0.396 0.000 0.803 205 E CB 0.166 29.274 29.700 -0.985 0.000 0.755 205 E HN 0.247 nan 8.360 nan 0.000 0.453 206 E N -0.989 119.084 120.200 -0.211 0.000 2.447 206 E HA 0.110 4.457 4.350 -0.004 0.000 0.204 206 E C 1.658 178.131 176.600 -0.212 0.000 0.977 206 E CA 0.346 56.662 56.400 -0.139 0.000 0.950 206 E CB 0.994 30.599 29.700 -0.159 0.000 0.975 206 E HN 0.193 nan 8.360 nan 0.000 0.496 207 V N -0.449 119.287 119.914 -0.298 0.000 2.870 207 V HA 0.062 4.179 4.120 -0.004 0.000 0.232 207 V C 1.441 177.298 176.094 -0.395 0.000 1.161 207 V CA 0.657 62.681 62.300 -0.460 0.000 1.204 207 V CB -0.251 31.140 31.823 -0.720 0.000 1.003 207 V HN 0.012 nan 8.190 nan 0.000 0.499 208 F N 0.645 120.617 119.950 0.036 0.000 2.698 208 F HA 0.272 4.797 4.527 -0.004 0.000 0.295 208 F C 1.636 177.408 175.800 -0.047 0.000 1.124 208 F CA 0.347 58.381 58.000 0.057 0.000 1.426 208 F CB -0.262 38.816 39.000 0.130 0.000 1.120 208 F HN 0.080 nan 8.300 nan 0.000 0.583 209 S N 0.323 116.044 115.700 0.036 0.000 3.581 209 S HA -0.023 4.445 4.470 -0.004 0.000 0.354 209 S C 0.069 174.237 174.600 -0.720 0.000 1.059 209 S CA 0.437 58.511 58.200 -0.210 0.000 1.060 209 S CB -1.685 61.453 63.200 -0.102 0.000 0.908 209 S HN 0.645 nan 8.310 nan 0.000 0.475 210 A N -0.693 121.949 122.820 -0.297 0.000 2.608 210 A HA 0.694 5.012 4.320 -0.004 0.000 0.292 210 A C -0.266 177.297 177.584 -0.034 0.000 1.066 210 A CA -0.481 51.408 52.037 -0.247 0.000 0.676 210 A CB 0.323 19.185 19.000 -0.230 0.000 1.277 210 A HN 0.275 nan 8.150 nan 0.000 0.413 211 Y N 1.811 121.964 120.300 -0.246 0.000 2.365 211 Y HA 0.102 4.650 4.550 -0.004 0.000 0.293 211 Y C 1.698 177.316 175.900 -0.471 0.000 1.119 211 Y CA 0.877 58.834 58.100 -0.239 0.000 1.203 211 Y CB -0.098 38.268 38.460 -0.158 0.000 1.026 211 Y HN 0.776 nan 8.280 nan 0.000 0.549 212 S N 0.826 115.990 115.700 -0.893 0.000 2.549 212 S HA 0.430 4.898 4.470 -0.004 0.000 0.283 212 S C 0.272 174.331 174.600 -0.902 0.000 1.320 212 S CA -0.073 57.365 58.200 -1.270 0.000 1.058 212 S CB 1.153 63.186 63.200 -1.945 0.000 0.882 212 S HN 0.447 nan 8.310 nan 0.000 0.498 213 A N 4.005 126.318 122.820 -0.844 0.000 2.959 213 A HA 0.625 4.943 4.320 -0.004 0.000 0.280 213 A C -0.432 176.451 177.584 -1.168 0.000 0.953 213 A CA -0.634 50.812 52.037 -0.984 0.000 1.047 213 A CB -0.203 18.651 19.000 -0.244 0.000 1.147 213 A HN 0.792 nan 8.150 nan 0.000 0.489 214 L N -0.429 119.968 121.223 -1.377 0.000 2.393 214 L HA 0.684 5.021 4.340 -0.004 0.000 0.260 214 L C -1.253 175.086 176.870 -0.884 0.000 1.002 214 L CA -0.566 53.764 54.840 -0.850 0.000 0.818 214 L CB 2.237 44.023 42.059 -0.456 0.000 1.369 214 L HN 0.451 nan 8.230 nan 0.000 0.412 215 W N 1.424 122.745 121.300 0.034 0.000 2.835 215 W HA 0.223 4.881 4.660 -0.004 0.000 0.326 215 W C -1.331 175.366 176.519 0.296 0.000 1.024 215 W CA -1.066 56.417 57.345 0.229 0.000 1.267 215 W CB 1.274 30.937 29.460 0.337 0.000 1.267 215 W HN 0.461 nan 8.180 nan 0.000 0.412 216 W N 2.582 124.073 121.300 0.318 0.000 2.181 216 W HA 0.205 4.862 4.660 -0.004 0.000 0.335 216 W C 1.398 177.733 176.519 -0.307 0.000 1.310 216 W CA 0.463 57.857 57.345 0.082 0.000 1.226 216 W CB 0.736 30.224 29.460 0.048 0.000 1.155 216 W HN 0.202 nan 8.180 nan 0.000 0.565 217 S N 2.812 118.211 115.700 -0.502 0.000 2.589 217 S HA 0.151 4.618 4.470 -0.004 0.000 0.265 217 S C -1.710 172.635 174.600 -0.425 0.000 1.342 217 S CA -0.963 56.420 58.200 -1.362 0.000 1.005 217 S CB 1.080 63.466 63.200 -1.357 0.000 0.909 217 S HN 0.295 nan 8.310 nan 0.000 0.555 218 P HA -0.113 nan 4.420 nan 0.000 0.216 218 P C 0.848 178.115 177.300 -0.055 0.000 1.150 218 P CA 1.448 64.513 63.100 -0.058 0.000 0.837 218 P CB -0.220 31.493 31.700 0.022 0.000 0.786 219 N N -1.706 116.947 118.700 -0.079 0.000 2.270 219 N HA 0.121 4.858 4.740 -0.004 0.000 0.198 219 N C 1.128 176.562 175.510 -0.126 0.000 1.117 219 N CA 0.517 53.517 53.050 -0.084 0.000 0.845 219 N CB -0.813 37.638 38.487 -0.061 0.000 0.980 219 N HN 0.155 nan 8.380 nan 0.000 0.486 220 G N -1.009 107.724 108.800 -0.112 0.000 2.179 220 G HA2 -0.345 3.613 3.960 -0.004 0.000 0.260 220 G HA3 -0.345 3.613 3.960 -0.004 0.000 0.260 220 G C 0.984 175.914 174.900 0.049 0.000 0.977 220 G CA 0.762 45.814 45.100 -0.081 0.000 0.641 220 G HN 0.372 nan 8.290 nan 0.000 0.533 221 T N 0.030 114.528 114.554 -0.093 0.000 2.674 221 T HA 0.142 4.490 4.350 -0.004 0.000 0.265 221 T C 0.890 175.437 174.700 -0.255 0.000 1.039 221 T CA 1.426 63.368 62.100 -0.262 0.000 1.150 221 T CB -0.117 68.442 68.868 -0.515 0.000 0.864 221 T HN 0.304 nan 8.240 nan 0.000 0.427 222 F N 0.258 120.232 119.950 0.040 0.000 2.425 222 F HA 0.608 5.133 4.527 -0.004 0.000 0.331 222 F C -0.175 175.680 175.800 0.093 0.000 1.085 222 F CA -1.545 56.515 58.000 0.100 0.000 1.028 222 F CB 1.044 40.174 39.000 0.216 0.000 1.177 222 F HN -0.085 nan 8.300 nan 0.000 0.487 223 L N 2.826 124.193 121.223 0.239 0.000 2.319 223 L HA 0.792 5.130 4.340 -0.004 0.000 0.281 223 L C -0.549 176.426 176.870 0.175 0.000 1.005 223 L CA -0.483 54.340 54.840 -0.028 0.000 0.828 223 L CB 0.745 42.514 42.059 -0.482 0.000 1.227 223 L HN 0.672 nan 8.230 nan 0.000 0.415 224 A N 4.753 127.753 122.820 0.300 0.000 2.304 224 A HA 0.764 5.082 4.320 -0.004 0.000 0.301 224 A C -1.391 176.297 177.584 0.174 0.000 1.132 224 A CA -0.215 51.887 52.037 0.109 0.000 0.819 224 A CB 0.512 19.677 19.000 0.274 0.000 1.094 224 A HN 0.879 nan 8.150 nan 0.000 0.492 225 Y N -1.804 118.315 120.300 -0.301 0.000 2.592 225 Y HA 0.727 5.275 4.550 -0.004 0.000 0.334 225 Y C -0.314 175.481 175.900 -0.175 0.000 1.136 225 Y CA -0.933 57.090 58.100 -0.130 0.000 1.042 225 Y CB 0.762 39.097 38.460 -0.208 0.000 1.325 225 Y HN 0.913 nan 8.280 nan 0.000 0.457 226 A N 2.367 125.289 122.820 0.169 0.000 2.295 226 A HA 0.673 4.991 4.320 -0.004 0.000 0.318 226 A C -0.987 176.486 177.584 -0.185 0.000 1.134 226 A CA -0.797 51.193 52.037 -0.079 0.000 0.827 226 A CB 1.542 20.435 19.000 -0.178 0.000 1.136 226 A HN 0.818 nan 8.150 nan 0.000 0.493 227 Q N 1.001 120.616 119.800 -0.308 0.000 2.321 227 Q HA 0.581 4.919 4.340 -0.004 0.000 0.270 227 Q C -2.084 173.676 176.000 -0.400 0.000 1.032 227 Q CA -0.369 55.339 55.803 -0.158 0.000 0.784 227 Q CB 1.022 29.895 28.738 0.224 0.000 1.264 227 Q HN 0.585 nan 8.270 nan 0.000 0.448 228 F N 2.396 122.456 119.950 0.183 0.000 2.436 228 F HA 0.397 4.921 4.527 -0.004 0.000 0.340 228 F C 0.456 176.419 175.800 0.273 0.000 1.113 228 F CA -0.923 57.172 58.000 0.159 0.000 1.022 228 F CB 1.282 40.298 39.000 0.026 0.000 1.128 228 F HN 0.433 nan 8.300 nan 0.000 0.466 229 N N 2.198 121.122 118.700 0.373 0.000 2.511 229 N HA 0.193 4.931 4.740 -0.004 0.000 0.249 229 N C -0.800 174.889 175.510 0.297 0.000 0.971 229 N CA -0.272 52.955 53.050 0.295 0.000 0.938 229 N CB 0.893 39.499 38.487 0.198 0.000 1.131 229 N HN 0.562 nan 8.380 nan 0.000 0.505 230 D N 1.360 121.958 120.400 0.331 0.000 2.388 230 D HA 0.115 4.752 4.640 -0.004 0.000 0.221 230 D C 1.199 177.618 176.300 0.198 0.000 1.133 230 D CA 0.151 54.325 54.000 0.290 0.000 0.831 230 D CB 0.538 41.578 40.800 0.400 0.000 0.962 230 D HN 0.455 nan 8.370 nan 0.000 0.502 231 T N 0.419 115.068 114.554 0.158 0.000 2.653 231 T HA -0.207 4.140 4.350 -0.004 0.000 0.268 231 T C 1.273 176.029 174.700 0.093 0.000 1.035 231 T CA 1.331 63.496 62.100 0.109 0.000 1.154 231 T CB -0.052 68.869 68.868 0.089 0.000 0.862 231 T HN 0.344 nan 8.240 nan 0.000 0.441 232 E N 0.300 120.557 120.200 0.095 0.000 2.501 232 E HA 0.196 4.543 4.350 -0.004 0.000 0.200 232 E C -0.455 176.195 176.600 0.083 0.000 1.016 232 E CA -0.231 56.215 56.400 0.076 0.000 0.921 232 E CB 0.650 30.388 29.700 0.062 0.000 1.034 232 E HN 0.197 nan 8.360 nan 0.000 0.468 233 V N 3.906 123.884 119.914 0.107 0.000 2.479 233 V HA 0.076 4.193 4.120 -0.004 0.000 0.281 233 V C -1.957 174.196 176.094 0.097 0.000 1.031 233 V CA -1.343 61.025 62.300 0.113 0.000 1.038 233 V CB 0.081 31.993 31.823 0.148 0.000 0.981 233 V HN 0.049 nan 8.190 nan 0.000 0.478 234 P HA 0.265 nan 4.420 nan 0.000 0.272 234 P C -0.718 176.619 177.300 0.062 0.000 1.230 234 P CA -0.308 62.829 63.100 0.062 0.000 0.788 234 P CB 0.520 32.252 31.700 0.054 0.000 0.949 235 L N 1.844 123.081 121.223 0.023 0.000 2.295 235 L HA 0.427 4.764 4.340 -0.004 0.000 0.285 235 L C 0.428 177.247 176.870 -0.085 0.000 1.035 235 L CA -0.960 53.874 54.840 -0.009 0.000 0.806 235 L CB 0.954 43.002 42.059 -0.018 0.000 1.214 235 L HN 0.292 nan 8.230 nan 0.000 0.426 236 I N 2.775 123.245 120.570 -0.167 0.000 2.474 236 I HA 0.195 4.363 4.170 -0.004 0.000 0.287 236 I C -0.270 175.697 176.117 -0.251 0.000 1.048 236 I CA 0.399 61.500 61.300 -0.332 0.000 1.383 236 I CB 0.634 38.159 38.000 -0.792 0.000 1.412 236 I HN 0.577 nan 8.210 nan 0.000 0.531 237 E N 7.436 127.508 120.200 -0.213 0.000 2.234 237 E HA 0.487 4.835 4.350 -0.004 0.000 0.266 237 E C -1.781 174.745 176.600 -0.124 0.000 0.877 237 E CA -0.600 55.671 56.400 -0.215 0.000 0.758 237 E CB 2.033 31.643 29.700 -0.150 0.000 1.170 237 E HN 0.576 nan 8.360 nan 0.000 0.415 238 Y N -1.740 118.478 120.300 -0.136 0.000 2.609 238 Y HA 0.541 5.088 4.550 -0.004 0.000 0.336 238 Y C -0.701 175.130 175.900 -0.115 0.000 1.129 238 Y CA -1.266 56.759 58.100 -0.126 0.000 1.040 238 Y CB 0.865 39.257 38.460 -0.113 0.000 1.310 238 Y HN 0.196 nan 8.280 nan 0.000 0.460 239 S N 1.930 117.619 115.700 -0.017 0.000 2.565 239 S HA 0.468 4.936 4.470 -0.004 0.000 0.274 239 S C -1.363 173.078 174.600 -0.265 0.000 1.309 239 S CA -0.387 57.657 58.200 -0.260 0.000 1.043 239 S CB 0.497 63.398 63.200 -0.499 0.000 0.939 239 S HN 0.543 nan 8.310 nan 0.000 0.504 240 F N 2.051 121.735 119.950 -0.443 0.000 2.507 240 F HA 0.431 4.956 4.527 -0.004 0.000 0.328 240 F C -0.227 175.347 175.800 -0.377 0.000 1.136 240 F CA -0.836 56.985 58.000 -0.299 0.000 0.930 240 F CB 0.864 39.832 39.000 -0.053 0.000 1.166 240 F HN 0.660 nan 8.300 nan 0.000 0.436 241 Y N 2.784 122.896 120.300 -0.314 0.000 2.397 241 Y HA 0.118 4.665 4.550 -0.004 0.000 0.292 241 Y C 1.694 177.548 175.900 -0.076 0.000 1.115 241 Y CA 1.104 59.110 58.100 -0.156 0.000 1.208 241 Y CB -0.407 37.940 38.460 -0.187 0.000 1.046 241 Y HN 0.745 nan 8.280 nan 0.000 0.552 242 S N -0.250 115.405 115.700 -0.075 0.000 3.569 242 S HA -0.218 4.250 4.470 -0.004 0.000 0.635 242 S C -0.610 174.054 174.600 0.107 0.000 2.396 242 S CA 0.209 58.511 58.200 0.171 0.000 2.612 242 S CB -1.254 62.148 63.200 0.336 0.000 0.331 242 S HN 0.434 nan 8.310 nan 0.000 1.764 243 D N 1.900 122.376 120.400 0.127 0.000 2.378 243 D HA 0.174 4.812 4.640 -0.004 0.000 0.238 243 D C 1.468 177.807 176.300 0.065 0.000 1.180 243 D CA 0.611 54.661 54.000 0.084 0.000 0.895 243 D CB 0.280 41.129 40.800 0.081 0.000 1.192 243 D HN 0.707 nan 8.370 nan 0.000 0.438 244 E N -0.226 119.999 120.200 0.041 0.000 2.338 244 E HA -0.181 4.167 4.350 -0.004 0.000 0.197 244 E C 1.249 177.864 176.600 0.026 0.000 1.007 244 E CA 1.001 57.416 56.400 0.025 0.000 0.849 244 E CB 0.005 29.709 29.700 0.007 0.000 0.774 244 E HN 0.324 nan 8.360 nan 0.000 0.506 245 S N 0.702 116.424 115.700 0.036 0.000 2.419 245 S HA -0.136 4.331 4.470 -0.004 0.000 0.233 245 S C 1.008 175.635 174.600 0.045 0.000 1.016 245 S CA 0.159 58.380 58.200 0.036 0.000 0.974 245 S CB -0.412 62.811 63.200 0.040 0.000 0.786 245 S HN 0.328 nan 8.310 nan 0.000 0.492 246 L N 2.581 123.842 121.223 0.063 0.000 2.433 246 L HA 0.254 4.591 4.340 -0.004 0.000 0.275 246 L C 1.408 178.314 176.870 0.060 0.000 1.128 246 L CA 0.186 55.075 54.840 0.081 0.000 0.875 246 L CB 0.448 42.574 42.059 0.111 0.000 1.171 246 L HN 0.301 nan 8.230 nan 0.000 0.463 247 Q N 3.974 123.810 119.800 0.059 0.000 2.049 247 Q HA -0.078 4.260 4.340 -0.004 0.000 0.198 247 Q C -0.457 175.454 176.000 -0.148 0.000 0.971 247 Q CA 1.289 57.070 55.803 -0.036 0.000 0.833 247 Q CB 0.108 28.843 28.738 -0.006 0.000 0.896 247 Q HN 0.682 nan 8.270 nan 0.000 0.434 248 Y N 0.848 121.167 120.300 0.032 0.000 2.341 248 Y HA 0.371 4.919 4.550 -0.004 0.000 0.337 248 Y C -2.005 173.915 175.900 0.034 0.000 1.014 248 Y CA -2.904 55.213 58.100 0.028 0.000 1.111 248 Y CB 1.209 39.676 38.460 0.012 0.000 1.194 248 Y HN 0.190 nan 8.280 nan 0.000 0.462 249 P HA 0.025 nan 4.420 nan 0.000 0.269 249 P C -0.767 176.559 177.300 0.043 0.000 1.215 249 P CA -0.542 62.599 63.100 0.068 0.000 0.780 249 P CB 0.694 32.382 31.700 -0.020 0.000 0.898 250 K N 1.095 121.506 120.400 0.018 0.000 2.174 250 K HA 0.294 4.611 4.320 -0.004 0.000 0.275 250 K C -0.722 175.840 176.600 -0.063 0.000 1.015 250 K CA -0.276 56.014 56.287 0.005 0.000 0.933 250 K CB 0.443 32.969 32.500 0.044 0.000 1.025 250 K HN 0.323 nan 8.250 nan 0.000 0.463 251 T N 3.305 117.808 114.554 -0.086 0.000 2.738 251 T HA 0.188 4.536 4.350 -0.004 0.000 0.298 251 T C -0.461 174.119 174.700 -0.201 0.000 0.962 251 T CA -0.594 61.419 62.100 -0.145 0.000 0.972 251 T CB 0.873 69.670 68.868 -0.118 0.000 0.928 251 T HN 0.312 nan 8.240 nan 0.000 0.474 252 V N 5.795 125.499 119.914 -0.350 0.000 2.488 252 V HA 0.345 4.463 4.120 -0.004 0.000 0.277 252 V C 0.502 176.323 176.094 -0.455 0.000 1.046 252 V CA -0.281 61.754 62.300 -0.442 0.000 0.986 252 V CB 0.514 31.921 31.823 -0.694 0.000 0.989 252 V HN 0.715 nan 8.190 nan 0.000 0.475 253 R N 3.679 124.046 120.500 -0.223 0.000 2.451 253 R HA 0.698 5.035 4.340 -0.004 0.000 0.307 253 R C -1.601 174.684 176.300 -0.024 0.000 0.965 253 R CA -0.531 55.484 56.100 -0.143 0.000 0.865 253 R CB 2.139 32.387 30.300 -0.085 0.000 1.174 253 R HN 0.514 nan 8.270 nan 0.000 0.455 254 V N 4.116 124.016 119.914 -0.024 0.000 2.483 254 V HA 0.348 4.465 4.120 -0.004 0.000 0.297 254 V C -2.329 173.819 176.094 0.089 0.000 1.027 254 V CA -2.529 59.825 62.300 0.091 0.000 0.855 254 V CB 2.041 33.871 31.823 0.012 0.000 0.995 254 V HN 0.608 nan 8.190 nan 0.000 0.424 255 P HA 0.134 nan 4.420 nan 0.000 0.265 255 P C -1.285 176.122 177.300 0.178 0.000 1.222 255 P CA 0.378 63.588 63.100 0.183 0.000 0.767 255 P CB -0.198 31.657 31.700 0.258 0.000 0.801 256 Y N 6.411 126.690 120.300 -0.036 0.000 2.307 256 Y HA 0.381 4.929 4.550 -0.004 0.000 0.323 256 Y C -2.752 173.118 175.900 -0.050 0.000 1.100 256 Y CA -2.830 55.193 58.100 -0.127 0.000 1.140 256 Y CB 1.853 40.121 38.460 -0.319 0.000 1.159 256 Y HN 0.271 nan 8.280 nan 0.000 0.436 257 P HA 0.280 nan 4.420 nan 0.000 0.287 257 P C -0.922 176.439 177.300 0.102 0.000 1.307 257 P CA -0.244 62.903 63.100 0.079 0.000 0.777 257 P CB 1.315 33.044 31.700 0.049 0.000 0.883 258 K N 1.924 122.460 120.400 0.227 0.000 2.120 258 K HA 0.527 4.845 4.320 -0.004 0.000 0.245 258 K C 0.572 177.273 176.600 0.168 0.000 1.024 258 K CA -0.727 55.708 56.287 0.248 0.000 0.906 258 K CB 0.523 33.181 32.500 0.264 0.000 1.051 258 K HN 0.445 nan 8.250 nan 0.000 0.491 259 A N 0.582 123.524 122.820 0.204 0.000 2.546 259 A HA 0.328 4.646 4.320 -0.004 0.000 0.243 259 A C 1.187 178.805 177.584 0.058 0.000 1.063 259 A CA 0.878 53.019 52.037 0.175 0.000 0.757 259 A CB -1.021 18.171 19.000 0.320 0.000 0.991 259 A HN 0.888 nan 8.150 nan 0.000 0.503 260 G N 0.882 109.705 108.800 0.038 0.000 2.205 260 G HA2 0.084 4.042 3.960 -0.004 0.000 0.261 260 G HA3 0.084 4.042 3.960 -0.004 0.000 0.261 260 G C 0.728 175.639 174.900 0.018 0.000 0.980 260 G CA 0.771 45.867 45.100 -0.006 0.000 0.632 260 G HN 2.163 nan 8.290 nan 0.000 0.533 261 A N -0.259 122.589 122.820 0.047 0.000 2.280 261 A HA 0.703 5.020 4.320 -0.004 0.000 0.268 261 A C 0.910 178.526 177.584 0.053 0.000 1.111 261 A CA 0.377 52.446 52.037 0.053 0.000 0.814 261 A CB 0.543 19.589 19.000 0.078 0.000 1.093 261 A HN 1.179 nan 8.150 nan 0.000 0.498 262 V N 2.430 122.377 119.914 0.054 0.000 2.485 262 V HA 0.013 4.131 4.120 -0.004 0.000 0.287 262 V C 0.371 176.511 176.094 0.077 0.000 1.022 262 V CA 0.002 62.336 62.300 0.056 0.000 1.067 262 V CB -0.365 31.491 31.823 0.055 0.000 0.967 262 V HN 0.784 nan 8.190 nan 0.000 0.479 263 N N 6.535 125.281 118.700 0.077 0.000 2.495 263 N HA 0.446 5.183 4.740 -0.004 0.000 0.280 263 N C -2.363 173.236 175.510 0.149 0.000 1.168 263 N CA -1.546 51.573 53.050 0.115 0.000 0.978 263 N CB 1.022 39.570 38.487 0.102 0.000 1.191 263 N HN 0.386 nan 8.380 nan 0.000 0.497 264 P HA 0.058 nan 4.420 nan 0.000 0.269 264 P C -0.406 177.060 177.300 0.277 0.000 1.215 264 P CA -0.091 63.180 63.100 0.285 0.000 0.780 264 P CB 0.273 32.203 31.700 0.384 0.000 0.898 265 T N -1.315 113.380 114.554 0.235 0.000 2.944 265 T HA 0.605 4.953 4.350 -0.004 0.000 0.284 265 T C -0.319 174.523 174.700 0.237 0.000 1.010 265 T CA -0.849 61.347 62.100 0.160 0.000 1.025 265 T CB 1.514 70.435 68.868 0.088 0.000 1.079 265 T HN 0.337 nan 8.240 nan 0.000 0.516 266 V N 0.473 120.503 119.914 0.192 0.000 2.888 266 V HA 0.731 4.849 4.120 -0.004 0.000 0.309 266 V C -1.543 174.642 176.094 0.152 0.000 1.114 266 V CA -0.828 61.563 62.300 0.151 0.000 0.940 266 V CB 2.106 34.081 31.823 0.253 0.000 1.021 266 V HN 1.072 nan 8.190 nan 0.000 0.426 267 K N 4.463 124.877 120.400 0.023 0.000 2.443 267 K HA 0.630 4.948 4.320 -0.004 0.000 0.251 267 K C -1.926 174.568 176.600 -0.177 0.000 0.972 267 K CA -0.553 55.698 56.287 -0.059 0.000 0.833 267 K CB 2.845 35.256 32.500 -0.148 0.000 1.317 267 K HN 0.539 nan 8.250 nan 0.000 0.441 268 F N 1.900 121.514 119.950 -0.560 0.000 2.556 268 F HA 0.577 5.102 4.527 -0.004 0.000 0.314 268 F C -1.651 173.624 175.800 -0.876 0.000 1.106 268 F CA -0.722 56.956 58.000 -0.537 0.000 0.911 268 F CB 0.958 39.780 39.000 -0.297 0.000 1.190 268 F HN 0.400 nan 8.300 nan 0.000 0.448 269 F N 4.087 123.258 119.950 -1.299 0.000 2.599 269 F HA 0.745 5.270 4.527 -0.004 0.000 0.311 269 F C -1.037 174.094 175.800 -1.115 0.000 1.076 269 F CA -1.219 56.156 58.000 -1.041 0.000 0.937 269 F CB 2.179 40.505 39.000 -1.123 0.000 1.282 269 F HN 0.157 nan 8.300 nan 0.000 0.460 270 V N 2.679 122.357 119.914 -0.393 0.000 2.531 270 V HA 0.600 4.717 4.120 -0.004 0.000 0.301 270 V C -1.029 175.148 176.094 0.137 0.000 1.034 270 V CA -0.853 61.314 62.300 -0.221 0.000 0.865 270 V CB 1.855 33.361 31.823 -0.527 0.000 0.995 270 V HN 0.612 nan 8.190 nan 0.000 0.424 271 V N 4.196 124.261 119.914 0.251 0.000 2.581 271 V HA 0.501 4.619 4.120 -0.004 0.000 0.303 271 V C 0.028 176.350 176.094 0.381 0.000 1.041 271 V CA -0.633 61.845 62.300 0.297 0.000 0.907 271 V CB 1.943 33.885 31.823 0.199 0.000 0.994 271 V HN 1.015 nan 8.190 nan 0.000 0.442 272 N N 3.123 122.024 118.700 0.335 0.000 2.439 272 N HA 0.119 4.857 4.740 -0.004 0.000 0.243 272 N C 1.281 176.791 175.510 0.002 0.000 1.088 272 N CA 0.370 53.500 53.050 0.134 0.000 0.940 272 N CB 1.026 39.567 38.487 0.090 0.000 1.180 272 N HN 0.896 nan 8.380 nan 0.000 0.505 273 T N 0.188 114.734 114.554 -0.013 0.000 2.962 273 T HA -0.091 4.256 4.350 -0.004 0.000 0.270 273 T C 0.959 175.611 174.700 -0.080 0.000 1.088 273 T CA 0.875 62.966 62.100 -0.014 0.000 1.127 273 T CB 0.015 68.968 68.868 0.143 0.000 0.883 273 T HN 0.362 nan 8.240 nan 0.000 0.493 274 D N 1.847 122.176 120.400 -0.118 0.000 2.310 274 D HA -0.022 4.616 4.640 -0.004 0.000 0.212 274 D C 2.246 178.481 176.300 -0.109 0.000 0.965 274 D CA 1.254 55.181 54.000 -0.122 0.000 0.879 274 D CB -0.181 40.525 40.800 -0.157 0.000 0.921 274 D HN 0.695 nan 8.370 nan 0.000 0.510 275 S N -0.705 114.933 115.700 -0.102 0.000 2.548 275 S HA 0.082 4.549 4.470 -0.004 0.000 0.215 275 S C 1.993 176.520 174.600 -0.122 0.000 0.976 275 S CA -0.192 57.964 58.200 -0.073 0.000 0.908 275 S CB -0.206 62.983 63.200 -0.019 0.000 0.781 275 S HN 0.166 nan 8.310 nan 0.000 0.519 276 L N 2.349 123.429 121.223 -0.238 0.000 2.042 276 L HA -0.086 4.252 4.340 -0.004 0.000 0.210 276 L C 2.807 179.384 176.870 -0.488 0.000 1.076 276 L CA 1.583 56.133 54.840 -0.483 0.000 0.749 276 L CB -0.754 40.761 42.059 -0.907 0.000 0.893 276 L HN 0.577 nan 8.230 nan 0.000 0.432 277 S N -2.819 112.695 115.700 -0.309 0.000 2.603 277 S HA 0.038 4.506 4.470 -0.004 0.000 0.220 277 S C 1.613 176.227 174.600 0.023 0.000 0.967 277 S CA 0.505 58.683 58.200 -0.037 0.000 0.920 277 S CB 0.338 63.566 63.200 0.046 0.000 0.773 277 S HN 0.240 nan 8.310 nan 0.000 0.529 278 S N 0.445 116.135 115.700 -0.016 0.000 2.524 278 S HA 0.352 4.820 4.470 -0.004 0.000 0.222 278 S C 0.437 175.051 174.600 0.024 0.000 1.040 278 S CA 0.145 58.352 58.200 0.011 0.000 0.915 278 S CB 0.783 63.983 63.200 -0.000 0.000 0.831 278 S HN 0.638 nan 8.310 nan 0.000 0.492 279 V N 0.321 120.248 119.914 0.021 0.000 2.914 279 V HA 0.584 4.702 4.120 -0.004 0.000 0.314 279 V C 1.205 177.337 176.094 0.064 0.000 1.084 279 V CA -0.314 62.008 62.300 0.037 0.000 0.963 279 V CB 1.082 32.924 31.823 0.032 0.000 1.025 279 V HN 0.259 nan 8.190 nan 0.000 0.432 280 T N -1.027 113.568 114.554 0.068 0.000 2.833 280 T HA -0.049 4.299 4.350 -0.004 0.000 0.269 280 T C 0.782 175.553 174.700 0.118 0.000 1.054 280 T CA 1.803 63.958 62.100 0.092 0.000 1.135 280 T CB -0.386 68.517 68.868 0.057 0.000 0.869 280 T HN 0.868 nan 8.240 nan 0.000 0.466 281 N N 0.903 119.654 118.700 0.085 0.000 2.732 281 N HA 0.492 5.230 4.740 -0.004 0.000 0.247 281 N C -1.044 174.515 175.510 0.082 0.000 1.305 281 N CA -0.182 52.928 53.050 0.099 0.000 0.762 281 N CB 1.133 39.617 38.487 -0.005 0.000 1.361 281 N HN 0.531 nan 8.380 nan 0.000 0.545 282 A N 1.630 124.504 122.820 0.090 0.000 2.511 282 A HA 0.343 4.660 4.320 -0.004 0.000 0.242 282 A C 0.372 178.017 177.584 0.101 0.000 1.069 282 A CA 0.350 52.432 52.037 0.076 0.000 0.763 282 A CB -0.117 18.910 19.000 0.045 0.000 1.001 282 A HN 0.503 nan 8.150 nan 0.000 0.498 283 T N 2.824 117.443 114.554 0.109 0.000 2.851 283 T HA 0.282 4.629 4.350 -0.004 0.000 0.298 283 T C 0.496 175.291 174.700 0.158 0.000 0.977 283 T CA 0.191 62.363 62.100 0.120 0.000 1.126 283 T CB 0.478 69.419 68.868 0.122 0.000 0.916 283 T HN 0.561 nan 8.240 nan 0.000 0.529 284 S N 3.889 119.669 115.700 0.133 0.000 2.439 284 S HA 0.285 4.752 4.470 -0.004 0.000 0.282 284 S C 0.308 175.051 174.600 0.238 0.000 1.170 284 S CA -0.739 57.554 58.200 0.155 0.000 1.054 284 S CB -0.010 63.199 63.200 0.015 0.000 0.956 284 S HN 0.428 nan 8.310 nan 0.000 0.490 285 I N 3.635 124.363 120.570 0.264 0.000 2.352 285 I HA 0.219 4.386 4.170 -0.004 0.000 0.290 285 I C 0.686 176.924 176.117 0.201 0.000 1.036 285 I CA -0.190 61.275 61.300 0.275 0.000 1.336 285 I CB 0.726 38.964 38.000 0.398 0.000 1.407 285 I HN 0.649 nan 8.210 nan 0.000 0.497 286 Q N 6.143 126.043 119.800 0.168 0.000 2.288 286 Q HA 0.418 4.756 4.340 -0.004 0.000 0.254 286 Q C -0.936 175.013 176.000 -0.085 0.000 0.932 286 Q CA -0.346 55.370 55.803 -0.145 0.000 0.902 286 Q CB 1.096 29.699 28.738 -0.226 0.000 1.203 286 Q HN 0.533 nan 8.270 nan 0.000 0.415 287 I N 4.098 124.602 120.570 -0.109 0.000 2.328 287 I HA 0.193 4.361 4.170 -0.004 0.000 0.287 287 I C 0.274 176.399 176.117 0.013 0.000 1.012 287 I CA -0.693 60.620 61.300 0.022 0.000 1.195 287 I CB 1.400 39.461 38.000 0.102 0.000 1.350 287 I HN 0.656 nan 8.210 nan 0.000 0.464 288 T N 3.046 117.562 114.554 -0.063 0.000 2.910 288 T HA 0.618 4.966 4.350 -0.004 0.000 0.293 288 T C 0.426 174.922 174.700 -0.341 0.000 1.015 288 T CA -0.849 61.151 62.100 -0.168 0.000 1.094 288 T CB 1.561 70.331 68.868 -0.162 0.000 0.968 288 T HN 0.606 nan 8.240 nan 0.000 0.521 289 A N 4.077 126.431 122.820 -0.776 0.000 2.466 289 A HA 0.494 4.812 4.320 -0.004 0.000 0.238 289 A C -1.810 175.287 177.584 -0.811 0.000 1.074 289 A CA -1.234 49.901 52.037 -1.502 0.000 0.774 289 A CB -0.826 16.977 19.000 -1.994 0.000 1.015 289 A HN 0.798 nan 8.150 nan 0.000 0.498 290 P HA 0.169 nan 4.420 nan 0.000 0.270 290 P C 0.821 177.915 177.300 -0.343 0.000 1.223 290 P CA 0.552 63.424 63.100 -0.380 0.000 0.785 290 P CB 0.623 32.168 31.700 -0.257 0.000 0.923 291 A N 2.390 125.078 122.820 -0.221 0.000 1.958 291 A HA -0.231 4.087 4.320 -0.004 0.000 0.221 291 A C 2.160 179.645 177.584 -0.164 0.000 1.178 291 A CA 2.539 54.470 52.037 -0.176 0.000 0.642 291 A CB -1.823 17.106 19.000 -0.118 0.000 0.816 291 A HN 0.671 nan 8.150 nan 0.000 0.453 292 S N -1.502 114.117 115.700 -0.134 0.000 2.474 292 S HA -0.060 4.408 4.470 -0.004 0.000 0.235 292 S C 1.718 176.252 174.600 -0.109 0.000 0.997 292 S CA 1.453 59.601 58.200 -0.087 0.000 0.949 292 S CB -0.257 62.963 63.200 0.034 0.000 0.766 292 S HN 0.422 nan 8.310 nan 0.000 0.517 293 M N 0.797 120.261 119.600 -0.227 0.000 2.556 293 M HA 0.355 4.833 4.480 -0.004 0.000 0.264 293 M C 2.018 178.089 176.300 -0.383 0.000 1.163 293 M CA 0.682 55.781 55.300 -0.335 0.000 1.186 293 M CB -1.153 31.073 32.600 -0.624 0.000 1.321 293 M HN 0.315 nan 8.290 nan 0.000 0.485 294 L N -0.046 120.937 121.223 -0.399 0.000 2.265 294 L HA -0.157 4.180 4.340 -0.004 0.000 0.215 294 L C 2.316 179.138 176.870 -0.079 0.000 1.117 294 L CA 0.325 55.029 54.840 -0.226 0.000 0.782 294 L CB -0.571 41.353 42.059 -0.224 0.000 0.914 294 L HN 0.215 nan 8.230 nan 0.000 0.441 295 I N -0.046 120.470 120.570 -0.090 0.000 2.530 295 I HA -0.088 4.080 4.170 -0.004 0.000 0.257 295 I C 1.104 177.206 176.117 -0.026 0.000 1.179 295 I CA 1.044 62.309 61.300 -0.059 0.000 1.440 295 I CB -0.957 36.997 38.000 -0.076 0.000 1.087 295 I HN 0.254 nan 8.210 nan 0.000 0.440 296 G N -0.950 107.855 108.800 0.008 0.000 2.682 296 G HA2 0.257 4.214 3.960 -0.004 0.000 0.303 296 G HA3 0.257 4.214 3.960 -0.004 0.000 0.303 296 G C -1.372 173.576 174.900 0.080 0.000 1.341 296 G CA -0.550 44.563 45.100 0.022 0.000 0.784 296 G HN -0.036 nan 8.290 nan 0.000 0.497 297 D N 1.167 121.561 120.400 -0.009 0.000 2.443 297 D HA 0.404 5.042 4.640 -0.004 0.000 0.239 297 D C 0.408 176.634 176.300 -0.122 0.000 1.136 297 D CA 0.804 54.732 54.000 -0.119 0.000 0.879 297 D CB 0.380 41.088 40.800 -0.154 0.000 1.195 297 D HN 0.542 nan 8.370 nan 0.000 0.443 298 H N -0.767 118.159 119.070 -0.240 0.000 2.948 298 H HA 0.422 4.976 4.556 -0.004 0.000 0.315 298 H C -1.392 173.783 175.328 -0.254 0.000 1.360 298 H CA -0.828 55.082 56.048 -0.231 0.000 1.125 298 H CB 0.309 30.068 29.762 -0.005 0.000 1.844 298 H HN 0.288 nan 8.280 nan 0.000 0.529 299 Y N 0.135 120.682 120.300 0.411 0.000 2.499 299 Y HA 0.381 4.928 4.550 -0.004 0.000 0.347 299 Y C -0.256 175.950 175.900 0.510 0.000 0.987 299 Y CA -1.173 57.175 58.100 0.413 0.000 1.044 299 Y CB 1.894 40.438 38.460 0.140 0.000 1.245 299 Y HN 0.461 nan 8.280 nan 0.000 0.461 300 L N 3.296 124.890 121.223 0.618 0.000 2.313 300 L HA 0.336 4.674 4.340 -0.004 0.000 0.282 300 L C 0.479 177.405 176.870 0.093 0.000 1.092 300 L CA -0.157 54.705 54.840 0.036 0.000 0.831 300 L CB 0.265 42.239 42.059 -0.142 0.000 1.159 300 L HN 0.999 nan 8.230 nan 0.000 0.442 301 C N 1.347 120.556 119.300 -0.152 0.000 3.392 301 C HA 0.510 4.968 4.460 -0.004 0.000 0.301 301 C C 0.167 174.992 174.990 -0.276 0.000 1.354 301 C CA -0.461 58.388 59.018 -0.282 0.000 1.732 301 C CB -0.670 26.968 27.740 -0.171 0.000 2.269 301 C HN 0.839 nan 8.230 nan 0.000 0.673 302 D N 0.298 120.570 120.400 -0.213 0.000 2.886 302 D HA 0.441 5.078 4.640 -0.004 0.000 0.216 302 D C -1.851 174.192 176.300 -0.428 0.000 1.256 302 D CA 0.114 54.017 54.000 -0.161 0.000 0.844 302 D CB 2.834 43.522 40.800 -0.185 0.000 1.669 302 D HN 0.057 nan 8.370 nan 0.000 0.513 303 V N 2.408 121.997 119.914 -0.542 0.000 2.525 303 V HA 0.553 4.671 4.120 -0.004 0.000 0.299 303 V C -0.426 175.263 176.094 -0.675 0.000 1.034 303 V CA -0.400 61.316 62.300 -0.972 0.000 0.863 303 V CB 1.914 32.589 31.823 -1.913 0.000 0.999 303 V HN 0.634 nan 8.190 nan 0.000 0.423 304 T N 3.495 117.743 114.554 -0.510 0.000 3.031 304 T HA 0.337 4.685 4.350 -0.004 0.000 0.305 304 T C -0.861 173.684 174.700 -0.259 0.000 0.985 304 T CA -0.461 61.507 62.100 -0.220 0.000 1.008 304 T CB 0.776 69.603 68.868 -0.068 0.000 1.005 304 T HN 0.528 nan 8.240 nan 0.000 0.444 305 W N 2.222 123.453 121.300 -0.115 0.000 2.251 305 W HA 0.451 5.109 4.660 -0.004 0.000 0.327 305 W C 1.173 177.559 176.519 -0.221 0.000 1.361 305 W CA -0.270 57.003 57.345 -0.120 0.000 1.234 305 W CB 0.547 30.024 29.460 0.030 0.000 1.212 305 W HN 0.858 nan 8.180 nan 0.000 0.557 306 A N 2.163 124.853 122.820 -0.218 0.000 1.920 306 A HA 0.178 4.495 4.320 -0.004 0.000 0.209 306 A C 0.946 178.493 177.584 -0.062 0.000 1.229 306 A CA 1.536 53.228 52.037 -0.575 0.000 0.671 306 A CB -0.351 17.849 19.000 -1.333 0.000 0.886 306 A HN 0.532 nan 8.150 nan 0.000 0.461 307 T N -5.559 109.058 114.554 0.104 0.000 2.654 307 T HA 0.346 4.694 4.350 -0.004 0.000 0.289 307 T C 0.224 175.094 174.700 0.283 0.000 1.062 307 T CA -0.325 61.880 62.100 0.175 0.000 1.041 307 T CB 0.682 69.635 68.868 0.142 0.000 1.417 307 T HN -0.026 nan 8.240 nan 0.000 0.510 308 Q N 0.373 120.301 119.800 0.213 0.000 2.234 308 Q HA -0.003 4.335 4.340 -0.004 0.000 0.206 308 Q C 0.802 177.060 176.000 0.430 0.000 0.980 308 Q CA 1.570 57.503 55.803 0.217 0.000 0.869 308 Q CB -0.162 28.664 28.738 0.146 0.000 0.912 308 Q HN 0.835 nan 8.270 nan 0.000 0.436 309 E N -0.283 120.178 120.200 0.436 0.000 2.876 309 E HA 0.209 4.557 4.350 -0.004 0.000 0.208 309 E C -0.316 176.564 176.600 0.467 0.000 0.981 309 E CA -0.171 56.504 56.400 0.459 0.000 1.174 309 E CB 0.999 30.864 29.700 0.276 0.000 1.047 309 E HN -0.032 nan 8.360 nan 0.000 0.477 310 R N 1.619 122.425 120.500 0.510 0.000 2.515 310 R HA 0.511 4.848 4.340 -0.004 0.000 0.291 310 R C -1.810 174.511 176.300 0.034 0.000 1.046 310 R CA -0.429 55.824 56.100 0.254 0.000 0.914 310 R CB 1.276 31.617 30.300 0.067 0.000 1.191 310 R HN 0.088 nan 8.270 nan 0.000 0.435 311 I N 3.113 123.531 120.570 -0.253 0.000 2.608 311 I HA 0.463 4.630 4.170 -0.004 0.000 0.295 311 I C -0.969 174.822 176.117 -0.542 0.000 1.049 311 I CA -0.540 60.334 61.300 -0.710 0.000 1.063 311 I CB 2.297 39.399 38.000 -1.496 0.000 1.248 311 I HN 0.854 nan 8.210 nan 0.000 0.424 312 S N 7.669 123.031 115.700 -0.563 0.000 2.501 312 S HA 0.765 5.233 4.470 -0.004 0.000 0.301 312 S C -1.104 173.167 174.600 -0.549 0.000 1.096 312 S CA -0.705 57.242 58.200 -0.422 0.000 1.063 312 S CB 1.553 64.618 63.200 -0.226 0.000 1.042 312 S HN 0.554 nan 8.310 nan 0.000 0.494 313 L N 2.240 123.153 121.223 -0.517 0.000 2.410 313 L HA 0.535 4.873 4.340 -0.004 0.000 0.270 313 L C -0.457 176.095 176.870 -0.529 0.000 0.983 313 L CA -0.683 53.734 54.840 -0.705 0.000 0.822 313 L CB 2.185 43.717 42.059 -0.880 0.000 1.285 313 L HN 0.692 nan 8.230 nan 0.000 0.409 314 Q N 1.820 121.284 119.800 -0.560 0.000 2.316 314 Q HA 0.444 4.782 4.340 -0.004 0.000 0.264 314 Q C -1.683 174.077 176.000 -0.399 0.000 0.987 314 Q CA -0.539 55.058 55.803 -0.343 0.000 0.852 314 Q CB 2.387 30.986 28.738 -0.231 0.000 1.287 314 Q HN 0.415 nan 8.270 nan 0.000 0.448 315 W N 2.360 123.605 121.300 -0.091 0.000 2.689 315 W HA 0.600 5.257 4.660 -0.004 0.000 0.340 315 W C -0.922 175.619 176.519 0.036 0.000 1.060 315 W CA -0.693 56.646 57.345 -0.010 0.000 1.218 315 W CB 1.113 30.541 29.460 -0.054 0.000 1.410 315 W HN 0.371 nan 8.180 nan 0.000 0.528 316 L N 3.060 124.501 121.223 0.365 0.000 2.381 316 L HA 0.549 4.887 4.340 -0.004 0.000 0.274 316 L C -0.020 177.042 176.870 0.320 0.000 0.988 316 L CA -1.178 53.841 54.840 0.297 0.000 0.824 316 L CB 1.204 43.425 42.059 0.269 0.000 1.263 316 L HN 0.390 nan 8.230 nan 0.000 0.410 317 R N 2.671 123.323 120.500 0.254 0.000 2.734 317 R HA 0.140 4.477 4.340 -0.004 0.000 0.266 317 R C 1.035 177.397 176.300 0.103 0.000 1.044 317 R CA -0.056 56.142 56.100 0.164 0.000 1.128 317 R CB 0.507 30.897 30.300 0.151 0.000 1.010 317 R HN 0.655 nan 8.270 nan 0.000 0.461 318 R N 1.585 122.054 120.500 -0.052 0.000 2.127 318 R HA -0.084 4.253 4.340 -0.004 0.000 0.238 318 R C 0.422 176.772 176.300 0.083 0.000 1.134 318 R CA 1.137 57.190 56.100 -0.079 0.000 0.975 318 R CB 0.170 30.373 30.300 -0.162 0.000 0.865 318 R HN 0.393 nan 8.270 nan 0.000 0.447 319 I N 2.830 123.435 120.570 0.059 0.000 2.347 319 I HA -0.003 4.165 4.170 -0.004 0.000 0.294 319 I C 0.186 176.364 176.117 0.102 0.000 1.090 319 I CA 0.531 61.871 61.300 0.066 0.000 1.314 319 I CB 0.993 39.016 38.000 0.038 0.000 1.423 319 I HN 0.292 nan 8.210 nan 0.000 0.503 320 Q N 4.630 124.487 119.800 0.095 0.000 2.404 320 Q HA 0.010 4.347 4.340 -0.004 0.000 0.272 320 Q C 0.514 176.587 176.000 0.121 0.000 0.939 320 Q CA -0.020 55.852 55.803 0.115 0.000 0.945 320 Q CB -0.161 28.606 28.738 0.048 0.000 1.195 320 Q HN 0.626 nan 8.270 nan 0.000 0.415 321 N N -0.789 117.988 118.700 0.127 0.000 2.234 321 N HA -0.023 4.715 4.740 -0.004 0.000 0.227 321 N C -1.080 174.541 175.510 0.185 0.000 1.151 321 N CA -0.224 52.895 53.050 0.115 0.000 0.865 321 N CB 0.285 38.816 38.487 0.072 0.000 1.066 321 N HN 0.173 nan 8.380 nan 0.000 0.515 322 Y N -0.004 120.322 120.300 0.042 0.000 2.330 322 Y HA 0.530 5.078 4.550 -0.004 0.000 0.324 322 Y C -1.263 174.673 175.900 0.059 0.000 1.093 322 Y CA -0.789 57.335 58.100 0.040 0.000 1.103 322 Y CB 1.567 40.043 38.460 0.027 0.000 1.183 322 Y HN 0.028 nan 8.280 nan 0.000 0.433 323 S N 4.223 119.787 115.700 -0.227 0.000 2.568 323 S HA 0.899 5.367 4.470 -0.004 0.000 0.293 323 S C -1.976 172.489 174.600 -0.226 0.000 1.089 323 S CA -0.492 57.645 58.200 -0.105 0.000 0.945 323 S CB 1.477 64.654 63.200 -0.039 0.000 1.077 323 S HN 0.444 nan 8.310 nan 0.000 0.485 324 V N 4.677 124.560 119.914 -0.052 0.000 2.525 324 V HA 0.480 4.597 4.120 -0.004 0.000 0.299 324 V C -0.335 175.782 176.094 0.039 0.000 1.034 324 V CA -0.595 61.686 62.300 -0.032 0.000 0.863 324 V CB 1.686 33.522 31.823 0.021 0.000 0.999 324 V HN 0.957 nan 8.190 nan 0.000 0.423 325 M N 3.989 123.585 119.600 -0.007 0.000 2.113 325 M HA 0.479 4.957 4.480 -0.004 0.000 0.352 325 M C -1.113 175.196 176.300 0.015 0.000 1.170 325 M CA -0.237 55.041 55.300 -0.037 0.000 1.053 325 M CB 0.901 33.427 32.600 -0.122 0.000 1.601 325 M HN 0.594 nan 8.290 nan 0.000 0.459 326 D N 5.301 125.704 120.400 0.004 0.000 2.163 326 D HA 0.513 5.150 4.640 -0.004 0.000 0.248 326 D C -0.881 175.385 176.300 -0.056 0.000 1.035 326 D CA -0.019 53.982 54.000 0.002 0.000 0.872 326 D CB 1.718 42.545 40.800 0.045 0.000 1.183 326 D HN 0.589 nan 8.370 nan 0.000 0.445 327 I N 2.272 122.833 120.570 -0.014 0.000 2.411 327 I HA 0.269 4.436 4.170 -0.004 0.000 0.284 327 I C -0.652 175.460 176.117 -0.007 0.000 1.012 327 I CA -0.569 60.714 61.300 -0.029 0.000 1.119 327 I CB 1.274 39.312 38.000 0.062 0.000 1.261 327 I HN 0.157 nan 8.210 nan 0.000 0.448 328 c N 3.835 122.420 118.600 -0.025 0.000 2.379 328 c HA 0.537 5.105 4.570 -0.004 0.000 0.323 328 c C -0.309 173.920 174.090 0.232 0.000 1.262 328 c CA -0.729 55.654 56.329 0.089 0.000 1.581 328 c CB 1.013 43.573 42.510 0.084 0.000 2.221 328 c HN 0.577 nan 8.230 nan 0.000 0.497 329 D N 0.450 120.967 120.400 0.195 0.000 2.256 329 D HA 0.298 4.936 4.640 -0.004 0.000 0.246 329 D C -0.573 175.653 176.300 -0.124 0.000 1.042 329 D CA -0.228 53.842 54.000 0.116 0.000 0.841 329 D CB 0.812 41.630 40.800 0.032 0.000 1.223 329 D HN 0.566 nan 8.370 nan 0.000 0.470 330 Y N 1.695 121.574 120.300 -0.702 0.000 2.544 330 Y HA 0.140 4.688 4.550 -0.004 0.000 0.330 330 Y C -0.048 175.548 175.900 -0.507 0.000 1.136 330 Y CA -0.004 57.379 58.100 -1.196 0.000 1.417 330 Y CB 0.522 38.216 38.460 -1.277 0.000 1.229 330 Y HN 0.178 nan 8.280 nan 0.000 0.532 331 D N 5.495 125.279 120.400 -1.027 0.000 2.443 331 D HA 0.082 4.719 4.640 -0.004 0.000 0.221 331 D C 0.792 176.531 176.300 -0.935 0.000 1.097 331 D CA -0.105 53.478 54.000 -0.695 0.000 0.865 331 D CB 0.722 41.268 40.800 -0.422 0.000 1.034 331 D HN 0.833 nan 8.370 nan 0.000 0.511 332 E N 1.816 121.666 120.200 -0.583 0.000 2.209 332 E HA -0.197 4.151 4.350 -0.004 0.000 0.196 332 E C 1.337 177.829 176.600 -0.180 0.000 0.993 332 E CA 1.159 57.392 56.400 -0.278 0.000 0.819 332 E CB 0.364 30.069 29.700 0.009 0.000 0.745 332 E HN 0.522 nan 8.360 nan 0.000 0.477 333 S N -0.722 114.867 115.700 -0.185 0.000 2.458 333 S HA -0.050 4.418 4.470 -0.004 0.000 0.223 333 S C 1.966 176.502 174.600 -0.107 0.000 1.019 333 S CA 0.844 58.981 58.200 -0.104 0.000 0.937 333 S CB 0.253 63.405 63.200 -0.080 0.000 0.788 333 S HN 0.220 nan 8.310 nan 0.000 0.511 334 S N -0.140 115.458 115.700 -0.170 0.000 2.502 334 S HA 0.462 4.930 4.470 -0.004 0.000 0.215 334 S C 1.692 176.218 174.600 -0.124 0.000 1.009 334 S CA 0.586 58.710 58.200 -0.127 0.000 0.908 334 S CB -0.409 62.717 63.200 -0.123 0.000 0.801 334 S HN 1.470 nan 8.310 nan 0.000 0.505 335 G N 1.986 110.643 108.800 -0.238 0.000 2.166 335 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.260 335 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.260 335 G C 0.181 175.016 174.900 -0.107 0.000 0.986 335 G CA 0.370 45.391 45.100 -0.131 0.000 0.683 335 G HN 0.534 nan 8.290 nan 0.000 0.527 336 R N -1.404 118.948 120.500 -0.247 0.000 2.608 336 R HA 0.645 4.982 4.340 -0.004 0.000 0.255 336 R C -0.616 175.524 176.300 -0.268 0.000 1.086 336 R CA -0.962 55.083 56.100 -0.092 0.000 1.125 336 R CB 0.424 30.704 30.300 -0.032 0.000 1.193 336 R HN 0.202 nan 8.270 nan 0.000 0.553 337 W N 0.484 121.771 121.300 -0.023 0.000 2.471 337 W HA 0.396 5.053 4.660 -0.004 0.000 0.318 337 W C -0.348 176.145 176.519 -0.044 0.000 1.034 337 W CA -0.401 56.929 57.345 -0.025 0.000 1.224 337 W CB 0.968 30.424 29.460 -0.007 0.000 1.335 337 W HN 0.410 nan 8.180 nan 0.000 0.452 338 N N 2.187 120.955 118.700 0.113 0.000 2.321 338 N HA 0.560 5.298 4.740 -0.004 0.000 0.299 338 N C -1.467 174.080 175.510 0.062 0.000 1.048 338 N CA -0.691 52.392 53.050 0.055 0.000 0.836 338 N CB 1.278 39.759 38.487 -0.010 0.000 1.269 338 N HN 0.179 nan 8.380 nan 0.000 0.486 339 c N 2.755 121.377 118.600 0.037 0.000 2.258 339 c HA 0.379 4.947 4.570 -0.004 0.000 0.321 339 c C 0.388 174.478 174.090 -0.000 0.000 1.168 339 c CA -1.114 55.227 56.329 0.021 0.000 1.531 339 c CB -1.307 41.209 42.510 0.009 0.000 2.095 339 c HN 0.606 nan 8.230 nan 0.000 0.449 340 L N 2.800 124.024 121.223 0.003 0.000 2.455 340 L HA 0.075 4.413 4.340 -0.004 0.000 0.272 340 L C 1.467 178.323 176.870 -0.023 0.000 1.174 340 L CA 0.061 54.895 54.840 -0.009 0.000 0.869 340 L CB 0.706 42.765 42.059 -0.001 0.000 1.130 340 L HN 0.597 nan 8.230 nan 0.000 0.474 341 V N 3.104 122.998 119.914 -0.034 0.000 2.594 341 V HA -0.277 3.841 4.120 -0.004 0.000 0.253 341 V C 2.291 178.346 176.094 -0.066 0.000 1.069 341 V CA 1.882 64.153 62.300 -0.049 0.000 1.082 341 V CB -0.707 31.089 31.823 -0.045 0.000 0.680 341 V HN 1.018 nan 8.190 nan 0.000 0.469 342 A N -0.102 122.688 122.820 -0.050 0.000 2.178 342 A HA -0.155 4.163 4.320 -0.004 0.000 0.218 342 A C 2.212 179.748 177.584 -0.079 0.000 1.157 342 A CA 1.338 53.340 52.037 -0.057 0.000 0.689 342 A CB -0.386 18.598 19.000 -0.028 0.000 0.787 342 A HN 0.569 nan 8.150 nan 0.000 0.465 343 R N -1.079 119.383 120.500 -0.063 0.000 2.509 343 R HA 0.167 4.504 4.340 -0.004 0.000 0.300 343 R C 0.420 176.656 176.300 -0.107 0.000 0.985 343 R CA -0.155 55.932 56.100 -0.022 0.000 1.092 343 R CB 0.287 30.636 30.300 0.082 0.000 1.237 343 R HN 0.594 nan 8.270 nan 0.000 0.546 344 Q N 0.812 120.487 119.800 -0.208 0.000 2.256 344 Q HA 0.135 4.472 4.340 -0.004 0.000 0.254 344 Q C -1.186 174.609 176.000 -0.343 0.000 0.916 344 Q CA -0.315 55.392 55.803 -0.159 0.000 0.932 344 Q CB 0.770 29.453 28.738 -0.093 0.000 1.207 344 Q HN 0.231 nan 8.270 nan 0.000 0.426 345 H N 2.896 121.956 119.070 -0.018 0.000 2.589 345 H HA 0.351 4.904 4.556 -0.004 0.000 0.335 345 H C -0.661 174.628 175.328 -0.066 0.000 1.019 345 H CA -0.703 55.338 56.048 -0.011 0.000 1.213 345 H CB 1.013 30.762 29.762 -0.021 0.000 1.472 345 H HN 0.477 nan 8.280 nan 0.000 0.508 346 I N 2.169 122.746 120.570 0.011 0.000 2.396 346 I HA 0.216 4.383 4.170 -0.004 0.000 0.292 346 I C 0.396 176.458 176.117 -0.092 0.000 0.999 346 I CA -0.293 60.926 61.300 -0.136 0.000 1.310 346 I CB 1.005 38.904 38.000 -0.170 0.000 1.404 346 I HN 0.712 nan 8.210 nan 0.000 0.496 347 E N 7.189 127.283 120.200 -0.178 0.000 2.244 347 E HA 0.566 4.914 4.350 -0.004 0.000 0.260 347 E C -1.275 175.242 176.600 -0.138 0.000 0.884 347 E CA -0.657 55.690 56.400 -0.089 0.000 0.777 347 E CB 1.545 31.224 29.700 -0.034 0.000 1.197 347 E HN 0.592 nan 8.360 nan 0.000 0.416 348 M N 1.557 121.115 119.600 -0.070 0.000 2.658 348 M HA 0.608 5.086 4.480 -0.004 0.000 0.295 348 M C -1.029 175.281 176.300 0.018 0.000 1.248 348 M CA -0.758 54.533 55.300 -0.015 0.000 0.843 348 M CB 2.177 34.812 32.600 0.058 0.000 1.749 348 M HN 0.101 nan 8.290 nan 0.000 0.464 349 S N -0.854 114.861 115.700 0.026 0.000 2.532 349 S HA 0.616 5.084 4.470 -0.004 0.000 0.299 349 S C 0.409 175.009 174.600 -0.001 0.000 1.105 349 S CA -0.023 58.175 58.200 -0.004 0.000 1.018 349 S CB 1.311 64.474 63.200 -0.062 0.000 1.021 349 S HN 0.990 nan 8.310 nan 0.000 0.483 350 T N 0.244 114.797 114.554 -0.001 0.000 3.054 350 T HA 0.017 4.365 4.350 -0.004 0.000 0.259 350 T C 1.531 176.220 174.700 -0.018 0.000 1.092 350 T CA 1.122 63.222 62.100 0.000 0.000 1.121 350 T CB -0.449 68.423 68.868 0.007 0.000 0.912 350 T HN 0.680 nan 8.240 nan 0.000 0.489 351 T N -2.195 112.341 114.554 -0.029 0.000 2.990 351 T HA 0.599 4.946 4.350 -0.004 0.000 0.249 351 T C 1.132 175.696 174.700 -0.227 0.000 1.039 351 T CA 0.328 62.413 62.100 -0.024 0.000 1.036 351 T CB 0.410 69.331 68.868 0.089 0.000 0.994 351 T HN 0.589 nan 8.240 nan 0.000 0.489 352 G N 0.353 108.832 108.800 -0.535 0.000 2.827 352 G HA2 0.511 4.469 3.960 -0.004 0.000 0.202 352 G HA3 0.511 4.469 3.960 -0.004 0.000 0.202 352 G C -1.586 173.037 174.900 -0.462 0.000 1.185 352 G CA -0.653 43.863 45.100 -0.973 0.000 0.920 352 G HN 0.493 nan 8.290 nan 0.000 0.550 353 W N -0.224 120.791 121.300 -0.476 0.000 2.260 353 W HA 0.742 5.400 4.660 -0.004 0.000 0.366 353 W C -0.418 176.037 176.519 -0.107 0.000 1.315 353 W CA -1.285 55.915 57.345 -0.241 0.000 1.458 353 W CB 0.651 29.932 29.460 -0.298 0.000 1.255 353 W HN 0.251 nan 8.180 nan 0.000 0.671 354 V N 3.076 123.054 119.914 0.106 0.000 2.432 354 V HA 0.672 4.790 4.120 -0.004 0.000 0.275 354 V C 0.792 176.957 176.094 0.118 0.000 1.043 354 V CA 0.471 62.799 62.300 0.046 0.000 0.925 354 V CB -0.061 31.790 31.823 0.046 0.000 0.985 354 V HN 1.274 nan 8.190 nan 0.000 0.466 355 G N 5.206 114.037 108.800 0.050 0.000 2.756 355 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.678 355 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.678 355 G C 0.294 175.291 174.900 0.161 0.000 1.349 355 G CA 0.173 45.335 45.100 0.104 0.000 0.847 355 G HN 0.629 nan 8.290 nan 0.000 0.548 356 R N -0.834 119.770 120.500 0.174 0.000 2.055 356 R HA 0.153 4.491 4.340 -0.004 0.000 0.228 356 R C 2.017 178.362 176.300 0.075 0.000 1.143 356 R CA 2.182 58.371 56.100 0.148 0.000 0.945 356 R CB -0.111 30.300 30.300 0.185 0.000 0.841 356 R HN 0.469 nan 8.270 nan 0.000 0.429 357 F N -0.822 119.277 119.950 0.249 0.000 2.784 357 F HA 0.265 4.790 4.527 -0.004 0.000 0.323 357 F C 0.254 176.089 175.800 0.059 0.000 1.085 357 F CA -0.523 57.570 58.000 0.155 0.000 1.196 357 F CB 0.795 39.887 39.000 0.153 0.000 1.053 357 F HN -0.078 nan 8.300 nan 0.000 0.578 358 R N -1.303 119.335 120.500 0.231 0.000 2.765 358 R HA 0.421 4.759 4.340 -0.004 0.000 0.277 358 R C -3.386 172.971 176.300 0.096 0.000 1.028 358 R CA -1.877 54.282 56.100 0.098 0.000 0.860 358 R CB 0.138 30.442 30.300 0.006 0.000 1.270 358 R HN -0.364 nan 8.270 nan 0.000 0.484 359 P HA -0.006 nan 4.420 nan 0.000 0.265 359 P C -0.352 176.969 177.300 0.035 0.000 1.187 359 P CA 0.013 63.133 63.100 0.032 0.000 0.766 359 P CB 0.717 32.411 31.700 -0.010 0.000 0.820 360 S N 1.259 116.992 115.700 0.055 0.000 2.593 360 S HA 0.170 4.637 4.470 -0.004 0.000 0.269 360 S C 0.078 174.698 174.600 0.034 0.000 1.334 360 S CA -0.701 57.548 58.200 0.082 0.000 1.015 360 S CB 0.233 63.505 63.200 0.120 0.000 0.912 360 S HN 0.559 nan 8.310 nan 0.000 0.541 361 E N 1.243 121.477 120.200 0.057 0.000 2.343 361 E HA 0.492 4.840 4.350 -0.004 0.000 0.269 361 E C -2.620 173.944 176.600 -0.060 0.000 1.047 361 E CA -2.097 54.282 56.400 -0.035 0.000 0.874 361 E CB 0.346 30.019 29.700 -0.045 0.000 1.033 361 E HN 0.423 nan 8.360 nan 0.000 0.409 362 P HA 0.135 nan 4.420 nan 0.000 0.281 362 P C -1.049 176.100 177.300 -0.251 0.000 1.249 362 P CA -0.324 62.627 63.100 -0.249 0.000 0.810 362 P CB 0.711 31.937 31.700 -0.791 0.000 1.008 363 H N 1.919 121.004 119.070 0.025 0.000 2.762 363 H HA 0.296 4.849 4.556 -0.004 0.000 0.310 363 H C -0.396 175.059 175.328 0.211 0.000 1.004 363 H CA -0.332 55.819 56.048 0.171 0.000 1.267 363 H CB 0.316 30.207 29.762 0.214 0.000 1.437 363 H HN 0.308 nan 8.280 nan 0.000 0.498 364 F N 1.975 122.120 119.950 0.326 0.000 2.399 364 F HA 0.052 4.577 4.527 -0.004 0.000 0.342 364 F C 1.589 177.590 175.800 0.336 0.000 1.106 364 F CA -0.492 57.704 58.000 0.327 0.000 1.196 364 F CB 1.054 40.175 39.000 0.202 0.000 1.163 364 F HN 0.382 nan 8.300 nan 0.000 0.547 365 T N 1.130 115.996 114.554 0.520 0.000 2.856 365 T HA 0.046 4.394 4.350 -0.004 0.000 0.306 365 T C 1.169 176.071 174.700 0.338 0.000 1.062 365 T CA -0.771 61.574 62.100 0.408 0.000 1.083 365 T CB 0.734 69.830 68.868 0.380 0.000 0.984 365 T HN 0.602 nan 8.240 nan 0.000 0.542 366 L N 1.732 123.105 121.223 0.250 0.000 2.021 366 L HA -0.126 4.212 4.340 -0.004 0.000 0.215 366 L C 2.236 179.218 176.870 0.186 0.000 1.074 366 L CA 2.617 57.575 54.840 0.197 0.000 0.760 366 L CB -1.132 41.017 42.059 0.150 0.000 0.889 366 L HN 0.983 nan 8.230 nan 0.000 0.433 367 D N -1.087 119.422 120.400 0.182 0.000 2.378 367 D HA 0.004 4.642 4.640 -0.004 0.000 0.222 367 D C 1.635 178.042 176.300 0.179 0.000 0.980 367 D CA 0.822 54.918 54.000 0.161 0.000 0.907 367 D CB -0.761 40.123 40.800 0.140 0.000 0.899 367 D HN 0.491 nan 8.370 nan 0.000 0.527 368 G N 0.466 109.411 108.800 0.241 0.000 2.187 368 G HA2 -0.365 3.593 3.960 -0.004 0.000 0.261 368 G HA3 -0.365 3.593 3.960 -0.004 0.000 0.261 368 G C 0.877 175.968 174.900 0.320 0.000 1.000 368 G CA 0.478 45.735 45.100 0.262 0.000 0.718 368 G HN 0.405 nan 8.290 nan 0.000 0.519 369 N N 0.020 118.892 118.700 0.286 0.000 2.299 369 N HA 0.204 4.942 4.740 -0.004 0.000 0.187 369 N C 0.842 176.483 175.510 0.219 0.000 1.099 369 N CA 1.047 54.236 53.050 0.231 0.000 0.867 369 N CB 0.527 39.105 38.487 0.152 0.000 0.974 369 N HN 0.879 nan 8.380 nan 0.000 0.477 370 S N -0.464 115.403 115.700 0.279 0.000 2.596 370 S HA 0.760 5.228 4.470 -0.004 0.000 0.270 370 S C -0.965 173.730 174.600 0.158 0.000 1.155 370 S CA -1.013 57.225 58.200 0.064 0.000 0.827 370 S CB 1.687 64.806 63.200 -0.135 0.000 1.130 370 S HN 0.119 nan 8.310 nan 0.000 0.467 371 F N -1.777 117.991 119.950 -0.303 0.000 2.668 371 F HA 0.838 5.363 4.527 -0.004 0.000 0.309 371 F C -2.077 173.549 175.800 -0.290 0.000 1.117 371 F CA -1.519 56.242 58.000 -0.398 0.000 0.951 371 F CB 0.641 38.946 39.000 -1.159 0.000 1.323 371 F HN 0.595 nan 8.300 nan 0.000 0.451 372 Y N 1.013 121.437 120.300 0.206 0.000 2.446 372 Y HA 0.705 5.253 4.550 -0.004 0.000 0.338 372 Y C -0.210 175.842 175.900 0.254 0.000 1.055 372 Y CA -0.926 57.292 58.100 0.196 0.000 1.101 372 Y CB 2.109 40.649 38.460 0.133 0.000 1.221 372 Y HN 0.682 nan 8.280 nan 0.000 0.460 373 K N 2.654 123.267 120.400 0.354 0.000 2.543 373 K HA 0.497 4.815 4.320 -0.004 0.000 0.255 373 K C -1.701 175.038 176.600 0.230 0.000 0.934 373 K CA -0.546 55.918 56.287 0.294 0.000 0.810 373 K CB 1.599 34.247 32.500 0.248 0.000 1.315 373 K HN 0.690 nan 8.250 nan 0.000 0.433 374 I N 6.372 127.058 120.570 0.193 0.000 2.396 374 I HA 0.259 4.426 4.170 -0.004 0.000 0.289 374 I C 0.192 176.405 176.117 0.160 0.000 1.056 374 I CA -0.210 61.184 61.300 0.157 0.000 1.365 374 I CB 0.303 38.379 38.000 0.128 0.000 1.407 374 I HN 0.470 nan 8.210 nan 0.000 0.509 375 I N 1.985 122.676 120.570 0.202 0.000 2.994 375 I HA 0.458 4.625 4.170 -0.004 0.000 0.306 375 I C -0.324 175.924 176.117 0.218 0.000 1.195 375 I CA -0.795 60.623 61.300 0.196 0.000 1.001 375 I CB 2.171 40.297 38.000 0.210 0.000 1.244 375 I HN 0.346 nan 8.210 nan 0.000 0.437 376 S N 3.108 118.871 115.700 0.105 0.000 2.488 376 S HA 0.203 4.671 4.470 -0.004 0.000 0.278 376 S C 0.089 174.727 174.600 0.063 0.000 1.259 376 S CA -0.459 57.744 58.200 0.005 0.000 1.061 376 S CB -0.386 62.757 63.200 -0.095 0.000 0.910 376 S HN 0.824 nan 8.310 nan 0.000 0.491 377 N N 4.030 122.655 118.700 -0.125 0.000 2.322 377 N HA 0.124 4.862 4.740 -0.004 0.000 0.270 377 N C 0.769 176.176 175.510 -0.171 0.000 1.286 377 N CA -0.178 52.651 53.050 -0.369 0.000 0.948 377 N CB -0.128 37.728 38.487 -1.053 0.000 1.164 377 N HN 0.681 nan 8.380 nan 0.000 0.551 378 E N -0.749 119.348 120.200 -0.172 0.000 2.204 378 E HA -0.166 4.182 4.350 -0.004 0.000 0.195 378 E C 0.559 177.102 176.600 -0.095 0.000 0.990 378 E CA 1.108 57.452 56.400 -0.093 0.000 0.821 378 E CB -0.099 29.556 29.700 -0.076 0.000 0.750 378 E HN 0.659 nan 8.360 nan 0.000 0.477 379 E N -0.759 119.380 120.200 -0.102 0.000 2.479 379 E HA 0.077 4.425 4.350 -0.004 0.000 0.193 379 E C 0.889 177.434 176.600 -0.092 0.000 1.049 379 E CA 0.261 56.640 56.400 -0.035 0.000 0.870 379 E CB 0.664 30.401 29.700 0.061 0.000 0.944 379 E HN 0.333 nan 8.360 nan 0.000 0.492 380 G N 0.894 109.588 108.800 -0.176 0.000 2.159 380 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.256 380 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.256 380 G C -0.344 174.269 174.900 -0.478 0.000 0.977 380 G CA -0.098 44.800 45.100 -0.337 0.000 0.652 380 G HN 0.256 nan 8.290 nan 0.000 0.531 381 Y N 0.428 120.592 120.300 -0.227 0.000 2.323 381 Y HA 0.615 5.163 4.550 -0.004 0.000 0.331 381 Y C 1.227 176.951 175.900 -0.295 0.000 1.092 381 Y CA -0.861 57.084 58.100 -0.258 0.000 1.150 381 Y CB 0.951 39.265 38.460 -0.244 0.000 1.200 381 Y HN 0.074 nan 8.280 nan 0.000 0.472 382 R N 3.868 124.231 120.500 -0.229 0.000 2.296 382 R HA 0.248 4.586 4.340 -0.004 0.000 0.323 382 R C -0.768 175.247 176.300 -0.475 0.000 1.067 382 R CA -0.021 55.952 56.100 -0.213 0.000 0.946 382 R CB 0.069 30.303 30.300 -0.110 0.000 0.991 382 R HN 0.654 nan 8.270 nan 0.000 0.448 383 H N 1.708 120.758 119.070 -0.034 0.000 2.946 383 H HA 0.330 4.884 4.556 -0.004 0.000 0.365 383 H C -0.182 175.222 175.328 0.127 0.000 1.197 383 H CA -0.963 55.046 56.048 -0.066 0.000 1.131 383 H CB 1.643 31.252 29.762 -0.255 0.000 1.849 383 H HN 0.322 nan 8.280 nan 0.000 0.555 384 I N 1.318 121.983 120.570 0.158 0.000 2.396 384 I HA 0.043 4.211 4.170 -0.004 0.000 0.289 384 I C 0.369 176.536 176.117 0.083 0.000 1.056 384 I CA 0.134 61.488 61.300 0.089 0.000 1.365 384 I CB 0.319 38.284 38.000 -0.059 0.000 1.407 384 I HN 0.148 nan 8.210 nan 0.000 0.509 385 c N 7.168 125.743 118.600 -0.042 0.000 2.382 385 c HA 0.426 4.994 4.570 -0.004 0.000 0.327 385 c C -0.438 173.514 174.090 -0.229 0.000 1.250 385 c CA -0.465 55.610 56.329 -0.423 0.000 1.707 385 c CB 0.788 42.775 42.510 -0.872 0.000 2.272 385 c HN 0.632 nan 8.230 nan 0.000 0.506 386 Y N 4.608 124.578 120.300 -0.550 0.000 2.331 386 Y HA 0.652 5.199 4.550 -0.004 0.000 0.338 386 Y C -1.029 174.420 175.900 -0.752 0.000 0.976 386 Y CA -1.025 56.702 58.100 -0.622 0.000 1.137 386 Y CB 0.313 38.484 38.460 -0.481 0.000 1.172 386 Y HN 0.633 nan 8.280 nan 0.000 0.478 387 F N 4.387 123.563 119.950 -1.290 0.000 2.480 387 F HA 0.431 4.955 4.527 -0.004 0.000 0.329 387 F C -0.104 174.967 175.800 -1.214 0.000 1.091 387 F CA -0.954 56.280 58.000 -1.276 0.000 0.972 387 F CB 1.467 39.330 39.000 -1.896 0.000 1.150 387 F HN 0.297 nan 8.300 nan 0.000 0.467 388 Q N 3.354 122.818 119.800 -0.559 0.000 2.259 388 Q HA 0.260 4.598 4.340 -0.004 0.000 0.249 388 Q C 1.282 177.274 176.000 -0.013 0.000 0.914 388 Q CA -0.263 55.367 55.803 -0.290 0.000 0.904 388 Q CB 1.519 30.148 28.738 -0.181 0.000 1.213 388 Q HN 0.860 nan 8.270 nan 0.000 0.428 389 I N -1.031 119.623 120.570 0.140 0.000 2.423 389 I HA -0.197 3.971 4.170 -0.004 0.000 0.254 389 I C 0.664 177.008 176.117 0.379 0.000 1.151 389 I CA 1.590 63.122 61.300 0.387 0.000 1.421 389 I CB -0.151 38.081 38.000 0.387 0.000 1.079 389 I HN 0.372 nan 8.210 nan 0.000 0.431 390 D N 0.550 121.064 120.400 0.190 0.000 2.501 390 D HA 0.218 4.856 4.640 -0.004 0.000 0.226 390 D C -0.128 176.204 176.300 0.054 0.000 1.198 390 D CA -0.349 53.710 54.000 0.099 0.000 0.830 390 D CB -0.021 40.815 40.800 0.059 0.000 1.014 390 D HN 0.382 nan 8.370 nan 0.000 0.496 391 K N 0.335 120.794 120.400 0.097 0.000 2.397 391 K HA 0.306 4.624 4.320 -0.004 0.000 0.253 391 K C 0.549 177.211 176.600 0.103 0.000 0.932 391 K CA -0.868 55.442 56.287 0.037 0.000 0.795 391 K CB 2.209 34.691 32.500 -0.030 0.000 1.159 391 K HN -0.317 nan 8.250 nan 0.000 0.424 392 K N 0.646 121.064 120.400 0.031 0.000 2.228 392 K HA 0.033 4.351 4.320 -0.004 0.000 0.202 392 K C -0.127 176.505 176.600 0.053 0.000 1.051 392 K CA 0.974 57.303 56.287 0.070 0.000 0.960 392 K CB 0.127 32.623 32.500 -0.006 0.000 0.743 392 K HN 0.569 nan 8.250 nan 0.000 0.458 393 D N 1.267 121.629 120.400 -0.064 0.000 2.249 393 D HA 0.071 4.709 4.640 -0.004 0.000 0.246 393 D C 0.374 176.447 176.300 -0.378 0.000 1.114 393 D CA -0.269 53.625 54.000 -0.178 0.000 0.854 393 D CB 1.215 41.935 40.800 -0.134 0.000 1.132 393 D HN 0.148 nan 8.370 nan 0.000 0.461 394 c N 0.850 119.052 118.600 -0.663 0.000 2.325 394 c HA 0.783 5.351 4.570 -0.004 0.000 0.370 394 c C 0.363 174.047 174.090 -0.675 0.000 1.217 394 c CA -0.551 55.160 56.329 -1.029 0.000 2.254 394 c CB 0.930 42.182 42.510 -2.098 0.000 2.282 394 c HN 0.470 nan 8.230 nan 0.000 0.564 395 T N 1.777 115.977 114.554 -0.590 0.000 2.786 395 T HA 0.457 4.804 4.350 -0.004 0.000 0.283 395 T C -0.712 173.780 174.700 -0.347 0.000 0.992 395 T CA 0.145 62.056 62.100 -0.315 0.000 0.954 395 T CB 0.310 69.129 68.868 -0.081 0.000 0.934 395 T HN 0.476 nan 8.240 nan 0.000 0.440 396 F N 3.552 123.388 119.950 -0.190 0.000 2.504 396 F HA 0.231 4.756 4.527 -0.004 0.000 0.369 396 F C 1.607 177.258 175.800 -0.249 0.000 1.082 396 F CA -0.808 57.070 58.000 -0.203 0.000 1.216 396 F CB 0.368 39.249 39.000 -0.198 0.000 1.108 396 F HN 0.586 nan 8.300 nan 0.000 0.554 397 I N -0.399 120.081 120.570 -0.151 0.000 3.941 397 I HA 0.208 4.375 4.170 -0.004 0.000 0.321 397 I C 0.328 176.277 176.117 -0.280 0.000 1.284 397 I CA 0.142 61.160 61.300 -0.470 0.000 1.226 397 I CB 0.125 37.540 38.000 -0.976 0.000 1.045 397 I HN 0.479 nan 8.210 nan 0.000 0.420 398 T N 0.342 114.793 114.554 -0.172 0.000 2.916 398 T HA 0.688 5.036 4.350 -0.004 0.000 0.292 398 T C -0.614 173.738 174.700 -0.580 0.000 1.055 398 T CA -0.670 61.313 62.100 -0.195 0.000 1.009 398 T CB 2.603 71.436 68.868 -0.059 0.000 1.118 398 T HN 0.499 nan 8.240 nan 0.000 0.497 399 K N -0.093 119.822 120.400 -0.809 0.000 2.578 399 K HA 0.794 5.111 4.320 -0.004 0.000 0.287 399 K C -0.403 175.543 176.600 -1.091 0.000 1.010 399 K CA -0.833 54.648 56.287 -1.344 0.000 0.889 399 K CB 1.404 33.480 32.500 -0.706 0.000 1.514 399 K HN 1.567 nan 8.250 nan 0.000 0.424 400 G N -0.098 108.092 108.800 -1.017 0.000 2.353 400 G HA2 0.064 4.022 3.960 -0.004 0.000 0.424 400 G HA3 0.064 4.022 3.960 -0.004 0.000 0.424 400 G C -0.841 173.479 174.900 -0.966 0.000 1.320 400 G CA -0.365 44.301 45.100 -0.724 0.000 0.995 400 G HN 1.025 nan 8.290 nan 0.000 0.580 401 T N -0.500 113.621 114.554 -0.723 0.000 3.855 401 T HA 0.593 4.940 4.350 -0.004 0.000 0.306 401 T C 0.138 174.560 174.700 -0.463 0.000 1.575 401 T CA 0.562 62.022 62.100 -1.066 0.000 1.214 401 T CB -0.923 67.594 68.868 -0.585 0.000 1.262 401 T HN 1.685 nan 8.240 nan 0.000 0.883 402 W N -0.240 120.839 121.300 -0.370 0.000 2.929 402 W HA 0.559 5.217 4.660 -0.004 0.000 0.363 402 W C -1.752 174.744 176.519 -0.039 0.000 1.168 402 W CA -0.917 56.392 57.345 -0.060 0.000 1.163 402 W CB 0.510 29.937 29.460 -0.055 0.000 1.455 402 W HN 0.227 nan 8.180 nan 0.000 0.568 403 E N 0.915 121.313 120.200 0.331 0.000 2.317 403 E HA 0.440 4.787 4.350 -0.004 0.000 0.270 403 E C -1.027 175.711 176.600 0.229 0.000 0.885 403 E CA -1.181 55.224 56.400 0.008 0.000 0.760 403 E CB 3.398 33.138 29.700 0.067 0.000 1.227 403 E HN 0.187 nan 8.360 nan 0.000 0.434 404 V N 3.975 123.900 119.914 0.018 0.000 2.508 404 V HA -0.013 4.105 4.120 -0.004 0.000 0.281 404 V C 1.287 177.480 176.094 0.165 0.000 1.041 404 V CA 0.098 62.493 62.300 0.159 0.000 1.016 404 V CB 0.357 32.179 31.823 -0.003 0.000 0.984 404 V HN 0.698 nan 8.190 nan 0.000 0.478 405 I N 3.182 123.875 120.570 0.206 0.000 2.339 405 I HA 0.242 4.410 4.170 -0.004 0.000 0.245 405 I C 1.132 177.366 176.117 0.195 0.000 1.096 405 I CA 1.243 62.655 61.300 0.186 0.000 1.408 405 I CB -0.689 37.356 38.000 0.075 0.000 1.092 405 I HN 0.748 nan 8.210 nan 0.000 0.423 406 G N 0.686 109.602 108.800 0.195 0.000 2.703 406 G HA2 0.569 4.526 3.960 -0.004 0.000 0.294 406 G HA3 0.569 4.526 3.960 -0.004 0.000 0.294 406 G C -1.271 173.729 174.900 0.166 0.000 1.451 406 G CA -0.519 44.692 45.100 0.185 0.000 0.869 406 G HN -0.037 nan 8.290 nan 0.000 0.516 407 I N 1.500 122.105 120.570 0.058 0.000 2.342 407 I HA 0.267 4.434 4.170 -0.004 0.000 0.291 407 I C 0.673 176.751 176.117 -0.064 0.000 1.010 407 I CA -0.540 60.693 61.300 -0.112 0.000 1.308 407 I CB 1.775 39.433 38.000 -0.569 0.000 1.400 407 I HN 0.486 nan 8.210 nan 0.000 0.488 408 E N 4.764 124.986 120.200 0.037 0.000 2.290 408 E HA 0.352 4.700 4.350 -0.004 0.000 0.197 408 E C 0.122 176.701 176.600 -0.035 0.000 0.948 408 E CA 0.228 56.699 56.400 0.117 0.000 0.895 408 E CB 0.831 30.694 29.700 0.272 0.000 0.865 408 E HN 0.679 nan 8.360 nan 0.000 0.486 409 A N 0.489 123.195 122.820 -0.191 0.000 2.608 409 A HA 0.628 4.946 4.320 -0.004 0.000 0.292 409 A C -2.016 175.502 177.584 -0.110 0.000 1.066 409 A CA -0.624 51.213 52.037 -0.333 0.000 0.676 409 A CB 1.280 19.583 19.000 -1.162 0.000 1.277 409 A HN 0.035 nan 8.150 nan 0.000 0.413 410 L N 1.219 122.410 121.223 -0.053 0.000 2.476 410 L HA 0.761 5.098 4.340 -0.004 0.000 0.269 410 L C 0.075 176.971 176.870 0.044 0.000 0.965 410 L CA 0.495 55.337 54.840 0.004 0.000 0.845 410 L CB 2.034 44.117 42.059 0.039 0.000 1.259 410 L HN 1.230 nan 8.230 nan 0.000 0.403 411 T N -0.269 114.330 114.554 0.075 0.000 2.927 411 T HA 0.415 4.762 4.350 -0.004 0.000 0.286 411 T C 1.140 175.880 174.700 0.066 0.000 1.040 411 T CA 0.044 62.198 62.100 0.089 0.000 1.010 411 T CB 1.266 70.223 68.868 0.147 0.000 1.177 411 T HN 0.682 nan 8.240 nan 0.000 0.546 412 S N -0.196 115.543 115.700 0.065 0.000 2.440 412 S HA -0.133 4.335 4.470 -0.004 0.000 0.238 412 S C 0.866 175.449 174.600 -0.027 0.000 1.010 412 S CA 1.379 59.603 58.200 0.041 0.000 0.972 412 S CB -0.568 62.659 63.200 0.045 0.000 0.774 412 S HN 0.746 nan 8.310 nan 0.000 0.501 413 D N -0.961 119.401 120.400 -0.063 0.000 2.455 413 D HA 0.293 4.931 4.640 -0.004 0.000 0.228 413 D C -0.563 175.380 176.300 -0.596 0.000 1.070 413 D CA 0.418 54.242 54.000 -0.294 0.000 0.881 413 D CB 0.357 41.001 40.800 -0.261 0.000 1.087 413 D HN 0.459 nan 8.370 nan 0.000 0.498 414 Y N -0.027 120.208 120.300 -0.109 0.000 2.534 414 Y HA 0.448 4.996 4.550 -0.004 0.000 0.345 414 Y C -0.706 175.010 175.900 -0.307 0.000 1.031 414 Y CA -1.015 56.930 58.100 -0.260 0.000 1.022 414 Y CB 2.557 40.754 38.460 -0.439 0.000 1.292 414 Y HN -0.274 nan 8.280 nan 0.000 0.459 415 L N 3.222 124.321 121.223 -0.207 0.000 2.329 415 L HA 0.620 4.958 4.340 -0.004 0.000 0.279 415 L C -1.798 174.935 176.870 -0.228 0.000 1.014 415 L CA -0.635 54.067 54.840 -0.230 0.000 0.814 415 L CB 0.916 42.747 42.059 -0.379 0.000 1.257 415 L HN 0.616 nan 8.230 nan 0.000 0.424 416 Y N 4.707 124.947 120.300 -0.100 0.000 2.352 416 Y HA 0.537 5.085 4.550 -0.004 0.000 0.339 416 Y C -0.575 175.342 175.900 0.027 0.000 0.992 416 Y CA -0.449 57.597 58.100 -0.090 0.000 1.100 416 Y CB 1.397 39.721 38.460 -0.228 0.000 1.192 416 Y HN 0.518 nan 8.280 nan 0.000 0.458 417 Y N 1.074 121.444 120.300 0.116 0.000 2.597 417 Y HA 0.774 5.322 4.550 -0.004 0.000 0.340 417 Y C -1.773 174.214 175.900 0.145 0.000 1.097 417 Y CA -1.814 56.341 58.100 0.092 0.000 1.037 417 Y CB 1.124 39.610 38.460 0.043 0.000 1.305 417 Y HN 0.308 nan 8.280 nan 0.000 0.463 418 I N 3.444 124.172 120.570 0.264 0.000 2.392 418 I HA 0.579 4.747 4.170 -0.004 0.000 0.295 418 I C 0.016 176.313 176.117 0.299 0.000 0.985 418 I CA -0.233 61.171 61.300 0.175 0.000 1.221 418 I CB 1.470 39.527 38.000 0.095 0.000 1.366 418 I HN 0.897 nan 8.210 nan 0.000 0.467 419 S N 3.898 119.742 115.700 0.240 0.000 2.671 419 S HA 0.446 4.914 4.470 -0.004 0.000 0.277 419 S C -0.289 174.366 174.600 0.091 0.000 1.165 419 S CA -0.802 57.526 58.200 0.213 0.000 0.822 419 S CB 1.913 65.258 63.200 0.242 0.000 1.150 419 S HN 0.597 nan 8.310 nan 0.000 0.479 420 N N -0.364 118.383 118.700 0.079 0.000 2.321 420 N HA 0.148 4.886 4.740 -0.004 0.000 0.242 420 N C 0.565 176.051 175.510 -0.040 0.000 1.141 420 N CA -0.268 52.791 53.050 0.015 0.000 0.864 420 N CB 0.227 38.713 38.487 -0.001 0.000 1.100 420 N HN 0.808 nan 8.380 nan 0.000 0.510 421 E N -0.112 119.916 120.200 -0.287 0.000 2.072 421 E HA -0.203 4.145 4.350 -0.004 0.000 0.191 421 E C -0.369 176.079 176.600 -0.254 0.000 0.985 421 E CA 0.337 56.311 56.400 -0.710 0.000 0.801 421 E CB -0.076 28.624 29.700 -1.665 0.000 0.750 421 E HN 0.421 nan 8.360 nan 0.000 0.452 422 Y N 2.005 122.218 120.300 -0.144 0.000 2.802 422 Y HA -0.129 4.418 4.550 -0.004 0.000 0.333 422 Y C 0.367 176.235 175.900 -0.054 0.000 1.244 422 Y CA 0.892 58.956 58.100 -0.060 0.000 1.558 422 Y CB 0.031 38.480 38.460 -0.019 0.000 1.233 422 Y HN 0.074 nan 8.280 nan 0.000 0.547 423 K N 3.603 123.711 120.400 -0.487 0.000 3.130 423 K HA -0.240 4.078 4.320 -0.004 0.000 0.282 423 K C 0.796 177.328 176.600 -0.114 0.000 1.145 423 K CA 0.809 56.873 56.287 -0.371 0.000 0.831 423 K CB -1.730 30.482 32.500 -0.481 0.000 1.226 423 K HN 1.283 nan 8.250 nan 0.000 0.478 424 G N 0.657 109.409 108.800 -0.079 0.000 2.305 424 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.287 424 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.287 424 G C -0.022 174.881 174.900 0.006 0.000 1.036 424 G CA 0.823 45.930 45.100 0.011 0.000 0.887 424 G HN 0.328 nan 8.290 nan 0.000 0.505 425 M N -0.058 119.473 119.600 -0.115 0.000 2.055 425 M HA 0.259 4.737 4.480 -0.004 0.000 0.346 425 M C -1.425 174.646 176.300 -0.383 0.000 1.074 425 M CA -2.076 53.004 55.300 -0.368 0.000 1.009 425 M CB 1.874 34.332 32.600 -0.236 0.000 1.423 425 M HN -0.130 nan 8.290 nan 0.000 0.410 426 P HA -0.046 nan 4.420 nan 0.000 0.225 426 P C 1.145 178.311 177.300 -0.223 0.000 1.148 426 P CA 0.901 63.835 63.100 -0.278 0.000 0.779 426 P CB 0.234 31.768 31.700 -0.277 0.000 0.780 427 G N -1.090 107.515 108.800 -0.324 0.000 3.088 427 G HA2 0.261 4.219 3.960 -0.004 0.000 0.217 427 G HA3 0.261 4.219 3.960 -0.004 0.000 0.217 427 G C 0.667 175.578 174.900 0.018 0.000 1.159 427 G CA 0.054 45.088 45.100 -0.110 0.000 0.760 427 G HN 0.368 nan 8.290 nan 0.000 0.550 428 G N -0.108 108.644 108.800 -0.080 0.000 2.462 428 G HA2 0.620 4.578 3.960 -0.004 0.000 0.319 428 G HA3 0.620 4.578 3.960 -0.004 0.000 0.319 428 G C -0.744 174.023 174.900 -0.222 0.000 1.171 428 G CA -0.709 44.364 45.100 -0.045 0.000 0.920 428 G HN 0.083 nan 8.290 nan 0.000 0.499 429 R N 1.043 121.365 120.500 -0.296 0.000 2.533 429 R HA 0.413 4.751 4.340 -0.004 0.000 0.288 429 R C -1.237 175.019 176.300 -0.072 0.000 1.039 429 R CA -0.791 55.116 56.100 -0.323 0.000 0.909 429 R CB 2.039 31.897 30.300 -0.737 0.000 1.195 429 R HN 0.593 nan 8.270 nan 0.000 0.438 430 N N 1.599 120.282 118.700 -0.029 0.000 2.284 430 N HA 0.344 5.082 4.740 -0.004 0.000 0.289 430 N C -1.253 174.114 175.510 -0.239 0.000 1.179 430 N CA -0.831 52.121 53.050 -0.163 0.000 0.774 430 N CB 2.739 41.017 38.487 -0.348 0.000 1.548 430 N HN 0.240 nan 8.380 nan 0.000 0.473 431 L N 2.178 123.116 121.223 -0.475 0.000 2.292 431 L HA 0.455 4.793 4.340 -0.004 0.000 0.284 431 L C -1.354 175.120 176.870 -0.660 0.000 1.065 431 L CA 0.042 54.630 54.840 -0.420 0.000 0.806 431 L CB -0.106 41.711 42.059 -0.404 0.000 1.175 431 L HN 0.412 nan 8.230 nan 0.000 0.431 432 Y N 3.651 123.596 120.300 -0.593 0.000 2.562 432 Y HA 0.588 5.135 4.550 -0.004 0.000 0.343 432 Y C -0.327 175.237 175.900 -0.561 0.000 1.025 432 Y CA -0.855 56.848 58.100 -0.662 0.000 1.082 432 Y CB 1.654 39.509 38.460 -1.009 0.000 1.264 432 Y HN 0.474 nan 8.280 nan 0.000 0.478 433 K N 2.872 123.123 120.400 -0.248 0.000 2.471 433 K HA 0.595 4.912 4.320 -0.004 0.000 0.252 433 K C -2.001 174.546 176.600 -0.089 0.000 0.938 433 K CA -0.527 55.541 56.287 -0.366 0.000 0.796 433 K CB 1.690 33.873 32.500 -0.528 0.000 1.161 433 K HN 0.825 nan 8.250 nan 0.000 0.425 434 I N 3.236 123.818 120.570 0.020 0.000 2.433 434 I HA 0.219 4.387 4.170 -0.004 0.000 0.292 434 I C -0.594 175.623 176.117 0.168 0.000 1.001 434 I CA -0.679 60.713 61.300 0.153 0.000 1.119 434 I CB 1.802 39.916 38.000 0.188 0.000 1.289 434 I HN 0.745 nan 8.210 nan 0.000 0.438 435 Q N 6.140 126.028 119.800 0.147 0.000 2.293 435 Q HA 0.198 4.536 4.340 -0.004 0.000 0.263 435 Q C 0.233 176.166 176.000 -0.113 0.000 1.002 435 Q CA -0.196 55.517 55.803 -0.150 0.000 0.910 435 Q CB 1.219 29.902 28.738 -0.092 0.000 1.185 435 Q HN 0.835 nan 8.270 nan 0.000 0.401 436 L N 2.434 123.515 121.223 -0.237 0.000 2.156 436 L HA -0.132 4.206 4.340 -0.004 0.000 0.208 436 L C 2.128 178.858 176.870 -0.233 0.000 1.095 436 L CA 1.197 55.979 54.840 -0.096 0.000 0.770 436 L CB -0.271 41.713 42.059 -0.125 0.000 0.914 436 L HN 0.673 nan 8.230 nan 0.000 0.439 437 S N -2.477 113.064 115.700 -0.266 0.000 2.603 437 S HA -0.020 4.447 4.470 -0.004 0.000 0.220 437 S C 0.382 174.806 174.600 -0.293 0.000 0.967 437 S CA -0.033 58.009 58.200 -0.264 0.000 0.920 437 S CB 0.024 63.109 63.200 -0.192 0.000 0.773 437 S HN 0.347 nan 8.310 nan 0.000 0.529 438 D N -0.208 120.018 120.400 -0.289 0.000 2.312 438 D HA 0.191 4.829 4.640 -0.004 0.000 0.229 438 D C -0.564 175.691 176.300 -0.076 0.000 1.337 438 D CA -0.499 53.373 54.000 -0.212 0.000 0.964 438 D CB 0.036 40.771 40.800 -0.108 0.000 1.456 438 D HN -0.027 nan 8.370 nan 0.000 0.547 439 Y N 0.805 121.085 120.300 -0.033 0.000 2.574 439 Y HA -0.075 4.472 4.550 -0.004 0.000 0.294 439 Y C 2.572 178.479 175.900 0.011 0.000 1.142 439 Y CA 1.424 59.516 58.100 -0.014 0.000 1.314 439 Y CB -0.736 37.716 38.460 -0.014 0.000 0.991 439 Y HN 0.429 nan 8.280 nan 0.000 0.555 440 T N -2.908 111.725 114.554 0.133 0.000 3.085 440 T HA -0.016 4.332 4.350 -0.004 0.000 0.263 440 T C 0.705 175.456 174.700 0.085 0.000 1.127 440 T CA 0.238 62.393 62.100 0.092 0.000 1.103 440 T CB -0.092 68.806 68.868 0.050 0.000 0.921 440 T HN -0.156 nan 8.240 nan 0.000 0.510 441 K N 2.466 122.920 120.400 0.090 0.000 2.244 441 K HA 0.504 4.822 4.320 -0.004 0.000 0.263 441 K C -1.162 175.510 176.600 0.119 0.000 1.103 441 K CA -0.324 56.016 56.287 0.089 0.000 0.966 441 K CB 1.112 33.658 32.500 0.078 0.000 1.429 441 K HN 0.178 nan 8.250 nan 0.000 0.434 442 V N 2.549 122.530 119.914 0.111 0.000 2.444 442 V HA 0.294 4.412 4.120 -0.004 0.000 0.294 442 V C -0.120 176.031 176.094 0.095 0.000 1.022 442 V CA -0.714 61.664 62.300 0.130 0.000 0.850 442 V CB 1.978 33.902 31.823 0.168 0.000 0.992 442 V HN 0.534 nan 8.190 nan 0.000 0.426 443 T N 3.538 118.117 114.554 0.041 0.000 2.779 443 T HA 0.231 4.578 4.350 -0.004 0.000 0.280 443 T C -0.253 174.373 174.700 -0.124 0.000 0.987 443 T CA -0.240 61.835 62.100 -0.041 0.000 0.966 443 T CB 1.222 70.030 68.868 -0.100 0.000 0.933 443 T HN 0.751 nan 8.240 nan 0.000 0.442 444 C N 5.498 124.665 119.300 -0.222 0.000 2.464 444 C HA 0.353 4.811 4.460 -0.004 0.000 0.370 444 C C 1.781 176.452 174.990 -0.532 0.000 1.267 444 C CA -0.514 58.112 59.018 -0.652 0.000 1.781 444 C CB -1.955 25.335 27.740 -0.750 0.000 2.431 444 C HN 0.973 nan 8.230 nan 0.000 0.556 445 L N 4.522 125.394 121.223 -0.584 0.000 2.270 445 L HA 0.042 4.380 4.340 -0.004 0.000 0.210 445 L C 2.289 178.844 176.870 -0.525 0.000 1.104 445 L CA 1.212 55.787 54.840 -0.441 0.000 0.804 445 L CB -0.243 41.587 42.059 -0.382 0.000 0.937 445 L HN 0.880 nan 8.230 nan 0.000 0.450 446 S N -3.086 112.181 115.700 -0.721 0.000 2.549 446 S HA -0.018 4.449 4.470 -0.004 0.000 0.225 446 S C 1.898 176.082 174.600 -0.693 0.000 1.039 446 S CA -0.118 57.543 58.200 -0.899 0.000 0.942 446 S CB -0.365 61.885 63.200 -1.585 0.000 0.881 446 S HN 0.292 nan 8.310 nan 0.000 0.503 447 C N 2.608 121.481 119.300 -0.710 0.000 2.385 447 C HA -0.031 4.426 4.460 -0.004 0.000 0.275 447 C C 2.284 176.941 174.990 -0.554 0.000 1.207 447 C CA 1.118 59.627 59.018 -0.848 0.000 1.760 447 C CB -0.851 26.188 27.740 -1.168 0.000 2.051 447 C HN 0.599 nan 8.230 nan 0.000 0.467 448 E N 0.068 120.053 120.200 -0.358 0.000 2.501 448 E HA 0.197 4.545 4.350 -0.004 0.000 0.201 448 E C 1.839 178.376 176.600 -0.105 0.000 1.016 448 E CA -0.068 56.228 56.400 -0.174 0.000 0.920 448 E CB -0.187 29.438 29.700 -0.125 0.000 1.023 448 E HN 0.641 nan 8.360 nan 0.000 0.474 449 L N 0.632 121.786 121.223 -0.116 0.000 1.994 449 L HA -0.104 4.234 4.340 -0.004 0.000 0.208 449 L C 0.648 177.521 176.870 0.004 0.000 1.071 449 L CA 1.155 55.969 54.840 -0.044 0.000 0.745 449 L CB -0.112 41.930 42.059 -0.028 0.000 0.892 449 L HN 0.049 nan 8.230 nan 0.000 0.431 450 N N -0.707 118.013 118.700 0.033 0.000 2.685 450 N HA 0.147 4.885 4.740 -0.004 0.000 0.252 450 N C -2.169 173.359 175.510 0.029 0.000 1.261 450 N CA -0.721 52.342 53.050 0.021 0.000 0.768 450 N CB 1.657 40.150 38.487 0.010 0.000 1.304 450 N HN -0.034 nan 8.380 nan 0.000 0.536 451 P HA -0.091 nan 4.420 nan 0.000 0.220 451 P C 0.706 178.049 177.300 0.072 0.000 1.148 451 P CA 1.348 64.491 63.100 0.072 0.000 0.803 451 P CB 0.689 32.451 31.700 0.103 0.000 0.782 452 E N -0.366 119.858 120.200 0.040 0.000 2.076 452 E HA -0.053 4.294 4.350 -0.004 0.000 0.190 452 E C 2.314 178.916 176.600 0.003 0.000 0.979 452 E CA 0.796 57.212 56.400 0.025 0.000 0.807 452 E CB -0.503 29.205 29.700 0.013 0.000 0.761 452 E HN 0.150 nan 8.360 nan 0.000 0.454 453 R N -0.734 119.756 120.500 -0.018 0.000 2.173 453 R HA 0.155 4.493 4.340 -0.004 0.000 0.208 453 R C -0.370 175.878 176.300 -0.086 0.000 1.035 453 R CA 0.569 56.635 56.100 -0.056 0.000 1.004 453 R CB 0.330 30.587 30.300 -0.071 0.000 0.917 453 R HN 0.124 nan 8.270 nan 0.000 0.462 454 c N 0.556 119.113 118.600 -0.072 0.000 2.478 454 c HA 0.386 4.954 4.570 -0.004 0.000 0.334 454 c C -0.065 173.974 174.090 -0.085 0.000 1.106 454 c CA -0.699 55.522 56.329 -0.181 0.000 1.363 454 c CB 1.483 43.851 42.510 -0.236 0.000 1.941 454 c HN 0.515 nan 8.230 nan 0.000 0.436 455 Q N 0.408 120.157 119.800 -0.085 0.000 2.113 455 Q HA 0.211 4.549 4.340 -0.004 0.000 0.225 455 Q C -0.936 175.106 176.000 0.070 0.000 0.786 455 Q CA 0.129 55.966 55.803 0.056 0.000 0.989 455 Q CB 1.412 30.212 28.738 0.103 0.000 1.174 455 Q HN 0.776 nan 8.270 nan 0.000 0.470 456 Y N 0.378 120.545 120.300 -0.221 0.000 2.333 456 Y HA 0.384 4.932 4.550 -0.004 0.000 0.324 456 Y C -1.652 174.070 175.900 -0.296 0.000 1.033 456 Y CA -1.043 56.960 58.100 -0.162 0.000 1.224 456 Y CB 0.835 39.219 38.460 -0.127 0.000 1.120 456 Y HN -0.085 nan 8.280 nan 0.000 0.457 457 Y N 2.593 122.848 120.300 -0.076 0.000 2.429 457 Y HA 0.618 5.166 4.550 -0.004 0.000 0.342 457 Y C 0.247 176.110 175.900 -0.061 0.000 1.004 457 Y CA -0.590 57.470 58.100 -0.067 0.000 1.075 457 Y CB 2.201 40.580 38.460 -0.136 0.000 1.214 457 Y HN 0.549 nan 8.280 nan 0.000 0.455 458 S N 1.189 116.986 115.700 0.161 0.000 2.715 458 S HA 0.883 5.351 4.470 -0.004 0.000 0.307 458 S C -1.345 173.326 174.600 0.120 0.000 1.119 458 S CA -0.786 57.491 58.200 0.129 0.000 0.937 458 S CB 1.951 65.237 63.200 0.143 0.000 1.150 458 S HN 0.583 nan 8.310 nan 0.000 0.521 459 V N 0.039 120.012 119.914 0.099 0.000 3.049 459 V HA 0.844 4.961 4.120 -0.004 0.000 0.309 459 V C -1.275 174.874 176.094 0.092 0.000 1.148 459 V CA -0.323 61.995 62.300 0.032 0.000 0.990 459 V CB 2.317 34.063 31.823 -0.129 0.000 1.039 459 V HN 1.144 nan 8.190 nan 0.000 0.430 460 S N 4.670 120.414 115.700 0.072 0.000 2.789 460 S HA 0.649 5.117 4.470 -0.004 0.000 0.286 460 S C -1.174 173.559 174.600 0.222 0.000 1.153 460 S CA -0.385 57.962 58.200 0.245 0.000 1.084 460 S CB 0.357 63.765 63.200 0.347 0.000 1.036 460 S HN 0.508 nan 8.310 nan 0.000 0.484 461 F N 3.193 123.206 119.950 0.105 0.000 2.375 461 F HA 0.414 4.939 4.527 -0.004 0.000 0.333 461 F C 1.472 176.864 175.800 -0.679 0.000 1.104 461 F CA -0.164 57.728 58.000 -0.179 0.000 1.149 461 F CB 1.314 40.189 39.000 -0.208 0.000 1.190 461 F HN 0.638 nan 8.300 nan 0.000 0.533 462 S N 2.261 117.338 115.700 -1.038 0.000 2.606 462 S HA 0.118 4.586 4.470 -0.004 0.000 0.257 462 S C 1.261 175.599 174.600 -0.436 0.000 1.327 462 S CA -0.746 56.608 58.200 -1.410 0.000 0.984 462 S CB 0.713 63.179 63.200 -1.224 0.000 0.941 462 S HN 0.555 nan 8.310 nan 0.000 0.576 463 K N 0.850 121.115 120.400 -0.225 0.000 2.074 463 K HA -0.054 4.264 4.320 -0.004 0.000 0.209 463 K C 0.895 177.463 176.600 -0.053 0.000 1.048 463 K CA 1.456 57.709 56.287 -0.056 0.000 0.926 463 K CB -0.406 32.094 32.500 0.001 0.000 0.713 463 K HN 0.697 nan 8.250 nan 0.000 0.444 464 E N -0.659 119.490 120.200 -0.085 0.000 2.585 464 E HA 0.252 4.599 4.350 -0.004 0.000 0.206 464 E C -0.004 176.544 176.600 -0.087 0.000 1.007 464 E CA -0.025 56.340 56.400 -0.058 0.000 1.028 464 E CB 0.574 30.256 29.700 -0.030 0.000 1.087 464 E HN 0.196 nan 8.360 nan 0.000 0.455 465 A N 1.394 124.140 122.820 -0.122 0.000 2.826 465 A HA -0.331 3.987 4.320 -0.004 0.000 0.274 465 A C 1.555 179.095 177.584 -0.072 0.000 1.443 465 A CA 1.708 53.688 52.037 -0.094 0.000 0.833 465 A CB -2.043 16.762 19.000 -0.326 0.000 1.023 465 A HN 0.301 nan 8.150 nan 0.000 0.600 466 K N -1.790 118.507 120.400 -0.171 0.000 2.211 466 K HA 0.030 4.347 4.320 -0.004 0.000 0.203 466 K C 0.062 176.261 176.600 -0.669 0.000 1.050 466 K CA 1.503 57.573 56.287 -0.362 0.000 0.945 466 K CB -0.045 32.243 32.500 -0.354 0.000 0.732 466 K HN 0.688 nan 8.250 nan 0.000 0.451 467 Y N -0.922 119.309 120.300 -0.114 0.000 2.576 467 Y HA 0.314 4.862 4.550 -0.004 0.000 0.346 467 Y C -0.959 174.875 175.900 -0.110 0.000 1.018 467 Y CA -1.402 56.629 58.100 -0.116 0.000 1.050 467 Y CB 1.599 40.011 38.460 -0.079 0.000 1.280 467 Y HN -0.051 nan 8.280 nan 0.000 0.474 468 Y N -1.042 119.241 120.300 -0.028 0.000 2.492 468 Y HA 0.554 5.101 4.550 -0.004 0.000 0.346 468 Y C -1.023 174.896 175.900 0.032 0.000 0.997 468 Y CA -1.537 56.396 58.100 -0.279 0.000 1.025 468 Y CB 1.460 39.288 38.460 -1.054 0.000 1.263 468 Y HN 0.587 nan 8.280 nan 0.000 0.454 469 Q N 3.838 123.762 119.800 0.206 0.000 2.303 469 Q HA 0.495 4.833 4.340 -0.004 0.000 0.257 469 Q C -1.563 174.530 176.000 0.156 0.000 0.941 469 Q CA -0.622 55.273 55.803 0.154 0.000 0.931 469 Q CB 1.099 29.906 28.738 0.115 0.000 1.215 469 Q HN 0.957 nan 8.270 nan 0.000 0.437 470 L N 4.154 125.499 121.223 0.203 0.000 2.292 470 L HA 0.480 4.818 4.340 -0.004 0.000 0.284 470 L C 0.152 177.102 176.870 0.133 0.000 1.065 470 L CA -0.355 54.595 54.840 0.182 0.000 0.806 470 L CB 1.207 43.374 42.059 0.180 0.000 1.175 470 L HN 0.512 nan 8.230 nan 0.000 0.431 471 R N 3.557 124.112 120.500 0.091 0.000 2.310 471 R HA 0.290 4.628 4.340 -0.004 0.000 0.316 471 R C -0.962 175.197 176.300 -0.235 0.000 1.004 471 R CA -0.516 55.478 56.100 -0.177 0.000 0.900 471 R CB 1.128 31.393 30.300 -0.058 0.000 1.152 471 R HN 0.744 nan 8.270 nan 0.000 0.513 472 c N 4.135 122.470 118.600 -0.442 0.000 2.394 472 c HA 0.336 4.904 4.570 -0.004 0.000 0.362 472 c C 1.445 175.280 174.090 -0.425 0.000 1.268 472 c CA -0.201 55.756 56.329 -0.620 0.000 1.828 472 c CB 0.283 42.394 42.510 -0.665 0.000 2.442 472 c HN 0.927 nan 8.230 nan 0.000 0.549 473 S N 3.888 119.427 115.700 -0.267 0.000 2.559 473 S HA 0.590 5.058 4.470 -0.004 0.000 0.226 473 S C 0.519 175.052 174.600 -0.112 0.000 1.000 473 S CA 0.241 58.346 58.200 -0.159 0.000 0.948 473 S CB 0.083 63.224 63.200 -0.099 0.000 0.870 473 S HN 1.848 nan 8.310 nan 0.000 0.497 474 G N 1.644 110.365 108.800 -0.132 0.000 2.313 474 G HA2 0.390 4.348 3.960 -0.004 0.000 0.296 474 G HA3 0.390 4.348 3.960 -0.004 0.000 0.296 474 G C -3.034 171.829 174.900 -0.062 0.000 1.356 474 G CA -0.468 44.598 45.100 -0.057 0.000 0.833 474 G HN -0.120 nan 8.290 nan 0.000 0.552 475 P HA 0.152 nan 4.420 nan 0.000 0.236 475 P C 1.245 178.574 177.300 0.049 0.000 1.177 475 P CA 1.270 64.392 63.100 0.036 0.000 0.773 475 P CB 0.405 32.125 31.700 0.033 0.000 0.878 476 G N 0.305 109.065 108.800 -0.068 0.000 2.510 476 G HA2 0.415 4.373 3.960 -0.004 0.000 0.280 476 G HA3 0.415 4.373 3.960 -0.004 0.000 0.280 476 G C -0.361 174.289 174.900 -0.417 0.000 1.386 476 G CA -0.784 44.201 45.100 -0.193 0.000 1.047 476 G HN 0.037 nan 8.290 nan 0.000 0.527 477 L N 1.393 122.284 121.223 -0.553 0.000 2.490 477 L HA 0.139 4.476 4.340 -0.004 0.000 0.274 477 L C -1.809 174.871 176.870 -0.317 0.000 1.201 477 L CA -1.197 53.273 54.840 -0.617 0.000 0.869 477 L CB 0.551 42.343 42.059 -0.446 0.000 1.123 477 L HN 0.240 nan 8.230 nan 0.000 0.484 478 P HA 0.017 nan 4.420 nan 0.000 0.265 478 P C -0.903 176.297 177.300 -0.166 0.000 1.187 478 P CA 0.011 62.999 63.100 -0.186 0.000 0.766 478 P CB 0.551 32.225 31.700 -0.042 0.000 0.820 479 L N 4.884 125.918 121.223 -0.316 0.000 2.409 479 L HA 0.489 4.827 4.340 -0.004 0.000 0.272 479 L C -1.737 174.946 176.870 -0.312 0.000 0.980 479 L CA -0.658 54.070 54.840 -0.187 0.000 0.826 479 L CB 1.012 42.989 42.059 -0.138 0.000 1.268 479 L HN 0.218 nan 8.230 nan 0.000 0.407 480 Y N 2.656 122.911 120.300 -0.074 0.000 2.341 480 Y HA 0.762 5.310 4.550 -0.004 0.000 0.338 480 Y C 0.373 176.159 175.900 -0.190 0.000 0.965 480 Y CA -0.518 57.520 58.100 -0.104 0.000 1.108 480 Y CB 2.211 40.598 38.460 -0.122 0.000 1.180 480 Y HN 0.669 nan 8.280 nan 0.000 0.458 481 T N 0.826 115.362 114.554 -0.031 0.000 2.903 481 T HA 0.709 5.056 4.350 -0.004 0.000 0.299 481 T C -1.615 172.919 174.700 -0.275 0.000 1.093 481 T CA -0.846 61.149 62.100 -0.175 0.000 1.002 481 T CB 1.934 70.750 68.868 -0.087 0.000 1.127 481 T HN 0.391 nan 8.240 nan 0.000 0.488 482 L N 1.923 122.850 121.223 -0.494 0.000 2.334 482 L HA 0.659 4.997 4.340 -0.004 0.000 0.276 482 L C -0.816 175.615 176.870 -0.731 0.000 1.014 482 L CA -0.330 54.259 54.840 -0.418 0.000 0.815 482 L CB 1.316 43.217 42.059 -0.263 0.000 1.268 482 L HN 0.833 nan 8.230 nan 0.000 0.428 483 H N 1.266 120.125 119.070 -0.351 0.000 2.895 483 H HA 0.512 5.065 4.556 -0.004 0.000 0.373 483 H C -0.962 174.136 175.328 -0.383 0.000 1.174 483 H CA -0.826 54.908 56.048 -0.524 0.000 1.144 483 H CB 2.026 31.108 29.762 -1.132 0.000 1.793 483 H HN 0.571 nan 8.280 nan 0.000 0.551 484 S N 0.548 116.190 115.700 -0.096 0.000 2.462 484 S HA 0.198 4.665 4.470 -0.004 0.000 0.294 484 S C 0.781 175.346 174.600 -0.059 0.000 1.144 484 S CA -0.758 57.407 58.200 -0.058 0.000 1.088 484 S CB 1.719 64.925 63.200 0.011 0.000 1.009 484 S HN 0.558 nan 8.310 nan 0.000 0.484 485 S N 1.839 117.519 115.700 -0.034 0.000 2.453 485 S HA -0.083 4.385 4.470 -0.004 0.000 0.231 485 S C 1.771 176.407 174.600 0.061 0.000 1.005 485 S CA 0.663 58.960 58.200 0.161 0.000 0.949 485 S CB -0.277 63.009 63.200 0.143 0.000 0.774 485 S HN 0.666 nan 8.310 nan 0.000 0.510 486 V N 3.636 123.534 119.914 -0.027 0.000 2.490 486 V HA -0.125 3.992 4.120 -0.004 0.000 0.250 486 V C 1.230 177.328 176.094 0.007 0.000 1.061 486 V CA 2.044 64.337 62.300 -0.011 0.000 1.064 486 V CB -0.449 31.353 31.823 -0.036 0.000 0.670 486 V HN 0.820 nan 8.190 nan 0.000 0.461 487 N N -3.234 115.471 118.700 0.008 0.000 2.082 487 N HA 0.045 4.782 4.740 -0.004 0.000 0.228 487 N C -0.320 175.200 175.510 0.016 0.000 1.341 487 N CA 0.293 53.349 53.050 0.009 0.000 0.873 487 N CB 0.572 39.065 38.487 0.009 0.000 1.137 487 N HN 0.286 nan 8.380 nan 0.000 0.505 488 D N 1.008 121.436 120.400 0.046 0.000 2.811 488 D HA -0.120 4.518 4.640 -0.004 0.000 0.231 488 D C -0.576 175.751 176.300 0.045 0.000 1.157 488 D CA 1.148 55.198 54.000 0.083 0.000 0.716 488 D CB -0.408 40.431 40.800 0.066 0.000 1.077 488 D HN 0.402 nan 8.370 nan 0.000 0.428 489 K N 0.304 120.720 120.400 0.025 0.000 2.118 489 K HA 0.482 4.800 4.320 -0.004 0.000 0.267 489 K C 0.891 177.505 176.600 0.023 0.000 0.991 489 K CA -0.443 55.857 56.287 0.022 0.000 0.916 489 K CB 1.239 33.741 32.500 0.004 0.000 1.041 489 K HN 0.106 nan 8.250 nan 0.000 0.455 490 G N 2.189 111.001 108.800 0.021 0.000 2.361 490 G HA2 0.240 4.198 3.960 -0.004 0.000 0.260 490 G HA3 0.240 4.198 3.960 -0.004 0.000 0.260 490 G C 0.878 175.676 174.900 -0.170 0.000 1.261 490 G CA -0.349 44.671 45.100 -0.132 0.000 0.897 490 G HN 0.506 nan 8.290 nan 0.000 0.499 491 L N 1.721 122.788 121.223 -0.261 0.000 2.145 491 L HA 0.327 4.665 4.340 -0.004 0.000 0.201 491 L C 1.576 178.350 176.870 -0.161 0.000 1.075 491 L CA 0.719 55.463 54.840 -0.160 0.000 0.773 491 L CB -0.119 41.859 42.059 -0.135 0.000 0.936 491 L HN 0.755 nan 8.230 nan 0.000 0.451 492 R N -1.873 118.485 120.500 -0.236 0.000 2.765 492 R HA 0.396 4.734 4.340 -0.004 0.000 0.277 492 R C -1.658 174.494 176.300 -0.247 0.000 1.028 492 R CA -0.878 55.105 56.100 -0.194 0.000 0.860 492 R CB 1.319 31.530 30.300 -0.148 0.000 1.270 492 R HN -0.280 nan 8.270 nan 0.000 0.484 493 V N 3.013 122.813 119.914 -0.190 0.000 2.461 493 V HA 0.170 4.287 4.120 -0.004 0.000 0.275 493 V C 1.288 177.231 176.094 -0.251 0.000 1.047 493 V CA -0.331 61.857 62.300 -0.186 0.000 0.955 493 V CB 1.146 32.901 31.823 -0.113 0.000 0.988 493 V HN 0.653 nan 8.190 nan 0.000 0.471 494 L N 2.451 123.460 121.223 -0.356 0.000 2.221 494 L HA 0.305 4.643 4.340 -0.004 0.000 0.202 494 L C 0.711 177.343 176.870 -0.397 0.000 1.074 494 L CA 0.683 55.126 54.840 -0.663 0.000 0.795 494 L CB 0.219 41.486 42.059 -1.320 0.000 0.960 494 L HN 0.675 nan 8.230 nan 0.000 0.458 495 E N -0.092 120.016 120.200 -0.153 0.000 2.307 495 E HA 0.106 4.453 4.350 -0.004 0.000 0.280 495 E C -1.162 175.496 176.600 0.096 0.000 0.900 495 E CA -0.392 56.021 56.400 0.022 0.000 0.790 495 E CB 1.200 30.938 29.700 0.064 0.000 1.261 495 E HN 0.164 nan 8.360 nan 0.000 0.405 496 D N 3.051 123.478 120.400 0.045 0.000 2.433 496 D HA 0.121 4.758 4.640 -0.004 0.000 0.211 496 D C -0.302 176.005 176.300 0.012 0.000 1.114 496 D CA -0.230 53.781 54.000 0.020 0.000 0.837 496 D CB -0.060 40.731 40.800 -0.015 0.000 0.984 496 D HN 0.454 nan 8.370 nan 0.000 0.505 497 N N 0.491 119.216 118.700 0.041 0.000 2.721 497 N HA -0.217 4.521 4.740 -0.004 0.000 0.249 497 N C 0.923 176.434 175.510 0.001 0.000 1.072 497 N CA 0.923 53.988 53.050 0.026 0.000 0.710 497 N CB -1.271 37.219 38.487 0.005 0.000 0.993 497 N HN 0.497 nan 8.380 nan 0.000 0.547 498 S N -1.149 114.555 115.700 0.006 0.000 2.399 498 S HA -0.034 4.434 4.470 -0.004 0.000 0.231 498 S C 2.113 176.724 174.600 0.018 0.000 1.022 498 S CA 0.923 59.125 58.200 0.002 0.000 0.983 498 S CB -0.116 63.086 63.200 0.003 0.000 0.803 498 S HN 0.517 nan 8.310 nan 0.000 0.480 499 A N 2.345 125.186 122.820 0.034 0.000 1.851 499 A HA -0.007 4.310 4.320 -0.004 0.000 0.216 499 A C 2.250 179.875 177.584 0.067 0.000 1.195 499 A CA 1.754 53.822 52.037 0.051 0.000 0.622 499 A CB -1.081 17.953 19.000 0.057 0.000 0.831 499 A HN 0.509 nan 8.150 nan 0.000 0.444 500 L N 0.372 121.638 121.223 0.071 0.000 2.012 500 L HA -0.184 4.154 4.340 -0.004 0.000 0.210 500 L C 1.990 178.886 176.870 0.044 0.000 1.073 500 L CA 2.857 57.753 54.840 0.092 0.000 0.748 500 L CB -0.865 41.247 42.059 0.088 0.000 0.891 500 L HN 0.545 nan 8.230 nan 0.000 0.431 501 D N -0.734 119.664 120.400 -0.004 0.000 2.126 501 D HA -0.275 4.363 4.640 -0.004 0.000 0.190 501 D C 2.207 178.507 176.300 -0.001 0.000 1.001 501 D CA 1.489 55.471 54.000 -0.029 0.000 0.841 501 D CB -0.087 40.688 40.800 -0.042 0.000 0.949 501 D HN 0.111 nan 8.370 nan 0.000 0.446 502 K N -0.054 120.358 120.400 0.021 0.000 2.032 502 K HA -0.152 4.166 4.320 -0.004 0.000 0.209 502 K C 2.274 178.908 176.600 0.057 0.000 1.048 502 K CA 1.167 57.475 56.287 0.035 0.000 0.927 502 K CB -0.471 32.054 32.500 0.041 0.000 0.712 502 K HN 0.336 nan 8.250 nan 0.000 0.441 503 M N 0.475 120.132 119.600 0.095 0.000 2.065 503 M HA -0.200 4.278 4.480 -0.004 0.000 0.259 503 M C 2.252 178.589 176.300 0.060 0.000 1.069 503 M CA 1.559 56.958 55.300 0.164 0.000 1.110 503 M CB -0.401 32.396 32.600 0.329 0.000 1.328 503 M HN 0.082 nan 8.290 nan 0.000 0.405 504 L N -0.082 121.121 121.223 -0.034 0.000 2.353 504 L HA -0.201 4.136 4.340 -0.004 0.000 0.220 504 L C 2.532 179.362 176.870 -0.066 0.000 1.133 504 L CA 0.596 55.355 54.840 -0.135 0.000 0.798 504 L CB -0.716 41.279 42.059 -0.106 0.000 0.922 504 L HN 0.410 nan 8.230 nan 0.000 0.445 505 Q N 0.163 119.952 119.800 -0.019 0.000 2.226 505 Q HA -0.122 4.216 4.340 -0.004 0.000 0.204 505 Q C 1.302 177.309 176.000 0.012 0.000 0.975 505 Q CA 1.031 56.832 55.803 -0.002 0.000 0.866 505 Q CB -0.259 28.486 28.738 0.010 0.000 0.915 505 Q HN 0.619 nan 8.270 nan 0.000 0.440 506 N N 0.078 118.794 118.700 0.026 0.000 2.314 506 N HA 0.056 4.794 4.740 -0.004 0.000 0.200 506 N C -0.350 175.190 175.510 0.050 0.000 1.135 506 N CA 0.127 53.207 53.050 0.050 0.000 0.835 506 N CB 1.165 39.701 38.487 0.081 0.000 0.989 506 N HN -0.042 nan 8.380 nan 0.000 0.478 507 V N 1.059 120.977 119.914 0.007 0.000 2.604 507 V HA 0.197 4.315 4.120 -0.004 0.000 0.305 507 V C 0.173 176.268 176.094 0.002 0.000 1.043 507 V CA -0.887 61.416 62.300 0.005 0.000 0.888 507 V CB 2.520 34.284 31.823 -0.098 0.000 0.995 507 V HN -0.003 nan 8.190 nan 0.000 0.429 508 Q N 4.347 124.167 119.800 0.034 0.000 2.613 508 Q HA 0.248 4.586 4.340 -0.004 0.000 0.228 508 Q C -0.353 175.628 176.000 -0.032 0.000 1.318 508 Q CA -0.099 55.705 55.803 0.001 0.000 0.907 508 Q CB 0.219 28.989 28.738 0.053 0.000 1.593 508 Q HN 0.523 nan 8.270 nan 0.000 0.559 509 M N 3.455 123.013 119.600 -0.070 0.000 2.250 509 M HA 0.326 4.804 4.480 -0.004 0.000 0.344 509 M C -1.930 174.297 176.300 -0.122 0.000 1.150 509 M CA -2.422 52.823 55.300 -0.092 0.000 1.147 509 M CB -0.041 32.505 32.600 -0.089 0.000 1.498 509 M HN 0.275 nan 8.290 nan 0.000 0.461 510 P HA 0.251 nan 4.420 nan 0.000 0.276 510 P C -0.743 176.462 177.300 -0.158 0.000 1.261 510 P CA -0.369 62.633 63.100 -0.163 0.000 0.800 510 P CB 0.556 32.146 31.700 -0.184 0.000 1.066 511 S N -0.748 114.846 115.700 -0.176 0.000 2.747 511 S HA 0.624 5.092 4.470 -0.004 0.000 0.300 511 S C -0.513 173.979 174.600 -0.180 0.000 1.121 511 S CA -0.746 57.362 58.200 -0.153 0.000 0.995 511 S CB 1.575 64.691 63.200 -0.140 0.000 1.113 511 S HN 0.526 nan 8.310 nan 0.000 0.547 512 K N 0.486 120.803 120.400 -0.139 0.000 2.471 512 K HA 0.400 4.717 4.320 -0.004 0.000 0.252 512 K C -1.352 175.179 176.600 -0.114 0.000 0.938 512 K CA -0.520 55.687 56.287 -0.133 0.000 0.796 512 K CB 1.421 33.861 32.500 -0.099 0.000 1.161 512 K HN 0.727 nan 8.250 nan 0.000 0.425 513 K N 4.928 125.246 120.400 -0.136 0.000 2.213 513 K HA 0.326 4.643 4.320 -0.004 0.000 0.270 513 K C -1.483 175.051 176.600 -0.111 0.000 1.002 513 K CA -0.811 55.407 56.287 -0.115 0.000 0.868 513 K CB 0.940 33.360 32.500 -0.132 0.000 1.093 513 K HN 0.476 nan 8.250 nan 0.000 0.454 514 L N 4.170 125.347 121.223 -0.077 0.000 2.343 514 L HA 0.530 4.868 4.340 -0.004 0.000 0.278 514 L C -1.334 175.516 176.870 -0.034 0.000 0.996 514 L CA 0.112 54.933 54.840 -0.032 0.000 0.831 514 L CB 1.433 43.547 42.059 0.093 0.000 1.232 514 L HN 0.817 nan 8.230 nan 0.000 0.413 515 D N 2.685 122.910 120.400 -0.291 0.000 2.768 515 D HA 0.530 5.168 4.640 -0.004 0.000 0.327 515 D C -1.553 174.425 176.300 -0.535 0.000 1.302 515 D CA -0.048 53.685 54.000 -0.444 0.000 0.897 515 D CB 1.650 42.152 40.800 -0.498 0.000 1.420 515 D HN 0.225 nan 8.370 nan 0.000 0.494 516 F N -0.287 119.365 119.950 -0.498 0.000 2.603 516 F HA 0.755 5.279 4.527 -0.004 0.000 0.317 516 F C -0.613 175.242 175.800 0.091 0.000 1.066 516 F CA -1.153 56.618 58.000 -0.383 0.000 0.941 516 F CB 0.951 39.264 39.000 -1.146 0.000 1.291 516 F HN 0.261 nan 8.300 nan 0.000 0.472 517 I N 0.065 120.923 120.570 0.481 0.000 2.740 517 I HA 0.670 4.838 4.170 -0.004 0.000 0.303 517 I C -1.326 175.027 176.117 0.393 0.000 1.044 517 I CA -1.177 60.350 61.300 0.378 0.000 1.064 517 I CB 2.303 40.483 38.000 0.300 0.000 1.249 517 I HN 0.637 nan 8.210 nan 0.000 0.433 518 I N 5.508 126.251 120.570 0.287 0.000 2.304 518 I HA 0.380 4.547 4.170 -0.004 0.000 0.291 518 I C -0.675 175.566 176.117 0.207 0.000 1.018 518 I CA -0.266 61.163 61.300 0.214 0.000 1.260 518 I CB 1.149 39.239 38.000 0.150 0.000 1.390 518 I HN 0.375 nan 8.210 nan 0.000 0.475 519 L N 6.915 128.314 121.223 0.292 0.000 2.356 519 L HA 0.457 4.795 4.340 -0.004 0.000 0.277 519 L C -0.100 176.905 176.870 0.226 0.000 0.996 519 L CA -0.832 54.165 54.840 0.262 0.000 0.822 519 L CB 1.346 43.601 42.059 0.327 0.000 1.256 519 L HN 0.582 nan 8.230 nan 0.000 0.413 520 N N 2.995 121.769 118.700 0.123 0.000 2.725 520 N HA -0.217 4.521 4.740 -0.004 0.000 0.251 520 N C 0.040 175.586 175.510 0.059 0.000 1.031 520 N CA 1.248 54.347 53.050 0.081 0.000 0.720 520 N CB -0.948 37.584 38.487 0.076 0.000 0.930 520 N HN 0.827 nan 8.380 nan 0.000 0.543 521 E N -3.961 116.267 120.200 0.046 0.000 3.170 521 E HA -0.241 4.106 4.350 -0.004 0.000 0.284 521 E C -0.626 175.955 176.600 -0.032 0.000 0.967 521 E CA 1.358 57.765 56.400 0.011 0.000 0.919 521 E CB -1.816 27.886 29.700 0.003 0.000 1.469 521 E HN 0.518 nan 8.360 nan 0.000 0.444 522 T N 0.711 115.239 114.554 -0.044 0.000 2.841 522 T HA 0.373 4.721 4.350 -0.004 0.000 0.283 522 T C -0.042 174.470 174.700 -0.314 0.000 1.000 522 T CA -0.740 61.225 62.100 -0.225 0.000 0.977 522 T CB 1.687 70.353 68.868 -0.337 0.000 0.979 522 T HN -0.010 nan 8.240 nan 0.000 0.446 523 K N 2.274 122.440 120.400 -0.390 0.000 2.339 523 K HA 0.410 4.728 4.320 -0.004 0.000 0.286 523 K C -1.000 175.324 176.600 -0.460 0.000 1.050 523 K CA 0.046 56.108 56.287 -0.375 0.000 0.956 523 K CB 0.415 32.566 32.500 -0.582 0.000 0.990 523 K HN 0.447 nan 8.250 nan 0.000 0.475 524 F N 2.173 122.173 119.950 0.084 0.000 2.493 524 F HA 0.315 4.840 4.527 -0.004 0.000 0.329 524 F C -0.449 175.442 175.800 0.152 0.000 1.126 524 F CA -0.905 57.162 58.000 0.111 0.000 0.937 524 F CB 1.062 40.156 39.000 0.157 0.000 1.146 524 F HN 0.415 nan 8.300 nan 0.000 0.442 525 W N 3.752 125.186 121.300 0.223 0.000 2.381 525 W HA 0.505 5.163 4.660 -0.004 0.000 0.329 525 W C -0.673 176.031 176.519 0.308 0.000 1.157 525 W CA -0.575 56.930 57.345 0.266 0.000 1.240 525 W CB 0.804 30.362 29.460 0.163 0.000 1.199 525 W HN 0.426 nan 8.180 nan 0.000 0.579 526 Y N -0.168 120.453 120.300 0.534 0.000 2.588 526 Y HA 0.643 5.190 4.550 -0.004 0.000 0.343 526 Y C -0.907 175.212 175.900 0.364 0.000 1.065 526 Y CA -1.800 56.612 58.100 0.520 0.000 1.038 526 Y CB 1.142 40.076 38.460 0.790 0.000 1.297 526 Y HN 0.566 nan 8.280 nan 0.000 0.467 527 Q N 2.547 122.556 119.800 0.347 0.000 2.413 527 Q HA 0.753 5.091 4.340 -0.004 0.000 0.276 527 Q C -1.753 174.346 176.000 0.164 0.000 1.099 527 Q CA -1.189 54.695 55.803 0.135 0.000 0.814 527 Q CB 3.266 32.060 28.738 0.093 0.000 1.379 527 Q HN 0.883 nan 8.270 nan 0.000 0.436 528 M N 2.401 122.015 119.600 0.023 0.000 2.263 528 M HA 0.409 4.887 4.480 -0.004 0.000 0.295 528 M C -1.222 174.980 176.300 -0.162 0.000 1.028 528 M CA -0.952 54.294 55.300 -0.089 0.000 0.921 528 M CB 2.122 34.623 32.600 -0.166 0.000 1.601 528 M HN 0.600 nan 8.290 nan 0.000 0.440 529 I N 5.275 125.748 120.570 -0.161 0.000 2.322 529 I HA 0.306 4.474 4.170 -0.004 0.000 0.292 529 I C -0.421 175.520 176.117 -0.293 0.000 1.060 529 I CA -0.140 61.038 61.300 -0.202 0.000 1.309 529 I CB -0.116 37.789 38.000 -0.160 0.000 1.415 529 I HN 0.627 nan 8.210 nan 0.000 0.492 530 L N 8.465 129.463 121.223 -0.374 0.000 2.307 530 L HA 0.470 4.808 4.340 -0.004 0.000 0.284 530 L C -2.205 174.450 176.870 -0.359 0.000 1.023 530 L CA -1.883 52.629 54.840 -0.547 0.000 0.810 530 L CB 1.401 42.938 42.059 -0.871 0.000 1.231 530 L HN 0.274 nan 8.230 nan 0.000 0.423 531 P HA -0.005 nan 4.420 nan 0.000 0.267 531 P C -2.411 174.834 177.300 -0.092 0.000 1.201 531 P CA -0.646 62.373 63.100 -0.135 0.000 0.775 531 P CB -0.312 31.369 31.700 -0.032 0.000 0.854 532 P HA -0.084 nan 4.420 nan 0.000 0.266 532 P C -0.324 176.894 177.300 -0.136 0.000 1.193 532 P CA 0.619 63.581 63.100 -0.231 0.000 0.770 532 P CB -0.254 31.278 31.700 -0.279 0.000 0.836 533 H N -2.117 116.985 119.070 0.054 0.000 2.820 533 H HA -0.218 4.335 4.556 -0.004 0.000 0.295 533 H C 0.076 175.458 175.328 0.090 0.000 1.187 533 H CA -0.020 56.064 56.048 0.060 0.000 1.144 533 H CB -2.629 27.162 29.762 0.048 0.000 1.354 533 H HN 0.322 nan 8.280 nan 0.000 0.395 534 F N 2.468 122.399 119.950 -0.031 0.000 2.580 534 F HA 0.061 4.586 4.527 -0.004 0.000 0.398 534 F C 0.534 176.334 175.800 -0.000 0.000 1.023 534 F CA 0.005 57.934 58.000 -0.118 0.000 1.188 534 F CB 0.390 39.204 39.000 -0.311 0.000 1.005 534 F HN 0.265 nan 8.300 nan 0.000 0.546 535 D N 5.801 125.892 120.400 -0.516 0.000 2.453 535 D HA 0.156 4.793 4.640 -0.004 0.000 0.238 535 D C 0.615 176.557 176.300 -0.595 0.000 1.088 535 D CA -0.618 53.142 54.000 -0.400 0.000 0.854 535 D CB 1.131 41.866 40.800 -0.109 0.000 1.076 535 D HN 0.635 nan 8.370 nan 0.000 0.533 536 K N 0.798 120.832 120.400 -0.610 0.000 2.281 536 K HA -0.161 4.157 4.320 -0.004 0.000 0.203 536 K C 1.355 177.945 176.600 -0.017 0.000 1.046 536 K CA 1.394 57.512 56.287 -0.282 0.000 0.938 536 K CB -0.191 32.290 32.500 -0.031 0.000 0.737 536 K HN 0.213 nan 8.250 nan 0.000 0.458 537 S N -0.204 115.457 115.700 -0.066 0.000 2.593 537 S HA 0.092 4.560 4.470 -0.004 0.000 0.217 537 S C 0.196 174.771 174.600 -0.042 0.000 0.966 537 S CA -0.481 57.702 58.200 -0.028 0.000 0.914 537 S CB -0.055 63.121 63.200 -0.040 0.000 0.776 537 S HN 0.212 nan 8.310 nan 0.000 0.523 538 K N 0.980 121.344 120.400 -0.059 0.000 2.185 538 K HA 0.473 4.791 4.320 -0.004 0.000 0.240 538 K C -0.696 175.863 176.600 -0.068 0.000 0.983 538 K CA -0.912 55.284 56.287 -0.152 0.000 0.873 538 K CB 0.919 33.197 32.500 -0.371 0.000 1.118 538 K HN -0.038 nan 8.250 nan 0.000 0.441 539 K N 2.387 122.691 120.400 -0.161 0.000 2.293 539 K HA 0.272 4.590 4.320 -0.004 0.000 0.267 539 K C -1.006 175.506 176.600 -0.147 0.000 1.010 539 K CA -0.378 55.884 56.287 -0.041 0.000 0.875 539 K CB 0.780 33.248 32.500 -0.053 0.000 1.106 539 K HN 0.483 nan 8.250 nan 0.000 0.450 540 Y N 2.819 123.154 120.300 0.060 0.000 2.387 540 Y HA 0.255 4.803 4.550 -0.004 0.000 0.330 540 Y C -1.762 174.076 175.900 -0.103 0.000 1.133 540 Y CA -2.303 55.802 58.100 0.008 0.000 1.152 540 Y CB 0.957 39.480 38.460 0.105 0.000 1.215 540 Y HN 0.443 nan 8.280 nan 0.000 0.466 541 P HA 0.095 nan 4.420 nan 0.000 0.271 541 P C -1.052 176.101 177.300 -0.244 0.000 1.218 541 P CA -0.060 62.742 63.100 -0.497 0.000 0.780 541 P CB 1.098 32.127 31.700 -1.118 0.000 0.901 542 L N 3.200 124.323 121.223 -0.167 0.000 2.362 542 L HA 0.527 4.865 4.340 -0.004 0.000 0.275 542 L C -1.138 175.924 176.870 0.319 0.000 0.998 542 L CA -1.153 53.744 54.840 0.094 0.000 0.820 542 L CB 1.678 43.811 42.059 0.124 0.000 1.270 542 L HN 0.146 nan 8.230 nan 0.000 0.415 543 L N 5.486 126.909 121.223 0.334 0.000 2.305 543 L HA 0.487 4.825 4.340 -0.004 0.000 0.284 543 L C -1.142 175.959 176.870 0.385 0.000 1.013 543 L CA -0.329 54.758 54.840 0.413 0.000 0.819 543 L CB 1.520 43.767 42.059 0.314 0.000 1.227 543 L HN 0.612 nan 8.230 nan 0.000 0.417 544 L N 5.217 126.717 121.223 0.460 0.000 2.283 544 L HA 0.370 4.708 4.340 -0.004 0.000 0.287 544 L C -0.503 176.605 176.870 0.398 0.000 1.073 544 L CA 0.240 55.340 54.840 0.434 0.000 0.822 544 L CB 0.477 42.834 42.059 0.496 0.000 1.186 544 L HN 0.634 nan 8.230 nan 0.000 0.436 545 D N 4.663 125.273 120.400 0.351 0.000 2.347 545 D HA 0.291 4.929 4.640 -0.004 0.000 0.235 545 D C -1.037 175.344 176.300 0.135 0.000 1.149 545 D CA -0.086 54.048 54.000 0.222 0.000 0.850 545 D CB 1.015 42.011 40.800 0.326 0.000 1.061 545 D HN 0.260 nan 8.370 nan 0.000 0.487 546 V N 5.528 125.447 119.914 0.008 0.000 2.555 546 V HA 0.269 4.386 4.120 -0.004 0.000 0.302 546 V C -0.167 176.017 176.094 0.150 0.000 1.038 546 V CA -0.690 61.679 62.300 0.115 0.000 0.887 546 V CB 1.423 33.303 31.823 0.095 0.000 0.991 546 V HN 0.596 nan 8.190 nan 0.000 0.434 547 Y N 3.665 124.036 120.300 0.120 0.000 3.059 547 Y HA 0.547 5.094 4.550 -0.004 0.000 0.212 547 Y C 1.656 177.706 175.900 0.250 0.000 0.947 547 Y CA 1.168 59.369 58.100 0.168 0.000 1.571 547 Y CB 0.126 38.666 38.460 0.134 0.000 1.432 547 Y HN 0.726 nan 8.280 nan 0.000 0.450 548 A N 0.566 123.524 122.820 0.231 0.000 2.952 548 A HA -0.140 4.178 4.320 -0.004 0.000 0.252 548 A C 0.986 178.485 177.584 -0.141 0.000 1.323 548 A CA 0.822 52.942 52.037 0.138 0.000 0.957 548 A CB -2.512 16.615 19.000 0.212 0.000 1.130 548 A HN 0.963 nan 8.150 nan 0.000 0.799 549 G N -0.472 108.005 108.800 -0.537 0.000 2.667 549 G HA2 0.467 4.424 3.960 -0.004 0.000 0.250 549 G HA3 0.467 4.424 3.960 -0.004 0.000 0.250 549 G C -1.951 172.657 174.900 -0.488 0.000 1.212 549 G CA -0.410 43.970 45.100 -1.201 0.000 0.874 549 G HN 0.404 nan 8.290 nan 0.000 0.561 550 P HA 0.101 nan 4.420 nan 0.000 0.271 550 P C 0.605 177.753 177.300 -0.254 0.000 1.216 550 P CA -0.082 62.745 63.100 -0.454 0.000 0.771 550 P CB 0.977 32.048 31.700 -1.049 0.000 0.864 551 C N 1.945 121.181 119.300 -0.107 0.000 4.358 551 C HA -0.150 4.308 4.460 -0.004 0.000 0.287 551 C C 1.057 176.098 174.990 0.084 0.000 1.414 551 C CA 1.246 60.185 59.018 -0.132 0.000 1.949 551 C CB -2.728 24.801 27.740 -0.352 0.000 1.274 551 C HN 0.822 nan 8.230 nan 0.000 0.793 552 S N -0.049 115.755 115.700 0.173 0.000 2.632 552 S HA 0.567 5.035 4.470 -0.004 0.000 0.267 552 S C -0.611 174.171 174.600 0.304 0.000 1.276 552 S CA 0.070 58.458 58.200 0.314 0.000 0.998 552 S CB 1.637 65.080 63.200 0.405 0.000 0.953 552 S HN 0.798 nan 8.310 nan 0.000 0.547 553 Q N 0.037 120.036 119.800 0.332 0.000 2.309 553 Q HA 0.349 4.686 4.340 -0.004 0.000 0.254 553 Q C -0.726 175.405 176.000 0.219 0.000 0.938 553 Q CA -0.586 55.396 55.803 0.300 0.000 0.789 553 Q CB 1.022 29.992 28.738 0.387 0.000 1.313 553 Q HN 0.705 nan 8.270 nan 0.000 0.438 554 K N 1.023 121.550 120.400 0.211 0.000 2.358 554 K HA 0.330 4.648 4.320 -0.004 0.000 0.200 554 K C -0.384 176.321 176.600 0.176 0.000 1.030 554 K CA 0.219 56.617 56.287 0.185 0.000 1.097 554 K CB 1.524 34.160 32.500 0.226 0.000 0.862 554 K HN 0.489 nan 8.250 nan 0.000 0.534 555 A N 2.772 125.705 122.820 0.188 0.000 2.273 555 A HA 0.435 4.752 4.320 -0.004 0.000 0.320 555 A C -0.727 176.926 177.584 0.115 0.000 1.358 555 A CA -0.488 51.659 52.037 0.184 0.000 0.910 555 A CB 0.155 19.324 19.000 0.282 0.000 1.159 555 A HN 0.253 nan 8.150 nan 0.000 0.526 556 D N -0.066 120.378 120.400 0.072 0.000 2.759 556 D HA 0.418 5.055 4.640 -0.004 0.000 0.321 556 D C 0.298 176.610 176.300 0.020 0.000 1.267 556 D CA 0.302 54.333 54.000 0.051 0.000 0.933 556 D CB 0.331 41.165 40.800 0.057 0.000 1.431 556 D HN 0.190 nan 8.370 nan 0.000 0.504 557 T N -2.147 112.434 114.554 0.045 0.000 3.223 557 T HA 0.370 4.717 4.350 -0.004 0.000 0.259 557 T C 0.169 174.829 174.700 -0.066 0.000 1.015 557 T CA -0.399 61.720 62.100 0.031 0.000 0.908 557 T CB -0.749 68.184 68.868 0.109 0.000 1.054 557 T HN 0.265 nan 8.240 nan 0.000 0.567 558 V N 2.468 122.254 119.914 -0.214 0.000 2.498 558 V HA 0.378 4.496 4.120 -0.004 0.000 0.279 558 V C 0.036 176.071 176.094 -0.097 0.000 1.048 558 V CA -1.130 61.006 62.300 -0.274 0.000 0.967 558 V CB 0.370 31.914 31.823 -0.464 0.000 0.988 558 V HN 0.580 nan 8.190 nan 0.000 0.473 559 F N 6.403 126.254 119.950 -0.165 0.000 2.472 559 F HA 0.474 4.999 4.527 -0.004 0.000 0.364 559 F C 0.589 176.327 175.800 -0.103 0.000 1.090 559 F CA 0.003 57.930 58.000 -0.122 0.000 1.188 559 F CB 0.145 39.082 39.000 -0.106 0.000 1.105 559 F HN 0.431 nan 8.300 nan 0.000 0.536 560 R N 6.545 126.619 120.500 -0.710 0.000 2.686 560 R HA 0.560 4.898 4.340 -0.004 0.000 0.286 560 R C -1.543 174.347 176.300 -0.683 0.000 0.969 560 R CA -1.071 54.736 56.100 -0.489 0.000 0.898 560 R CB 2.085 32.234 30.300 -0.252 0.000 1.183 560 R HN 0.651 nan 8.270 nan 0.000 0.456 561 L N 4.178 125.185 121.223 -0.360 0.000 2.301 561 L HA 0.421 4.759 4.340 -0.004 0.000 0.278 561 L C -0.565 176.282 176.870 -0.040 0.000 1.022 561 L CA -0.642 54.038 54.840 -0.268 0.000 0.854 561 L CB 0.602 42.640 42.059 -0.035 0.000 1.226 561 L HN 0.775 nan 8.230 nan 0.000 0.429 562 N N 0.464 119.053 118.700 -0.185 0.000 3.506 562 N HA 0.154 4.892 4.740 -0.004 0.000 0.331 562 N C 0.142 175.248 175.510 -0.675 0.000 1.631 562 N CA -0.871 51.946 53.050 -0.387 0.000 0.786 562 N CB 0.188 38.595 38.487 -0.134 0.000 2.023 562 N HN 0.302 nan 8.380 nan 0.000 0.621 563 W N 0.750 121.447 121.300 -1.006 0.000 2.355 563 W HA 0.172 4.829 4.660 -0.004 0.000 0.309 563 W C 2.150 178.608 176.519 -0.102 0.000 1.206 563 W CA 3.003 60.024 57.345 -0.540 0.000 1.284 563 W CB -1.090 28.210 29.460 -0.268 0.000 1.145 563 W HN 0.714 nan 8.180 nan 0.000 0.502 564 A N -0.309 122.482 122.820 -0.048 0.000 1.948 564 A HA -0.267 4.050 4.320 -0.004 0.000 0.220 564 A C 1.941 179.414 177.584 -0.184 0.000 1.177 564 A CA 2.818 54.765 52.037 -0.151 0.000 0.636 564 A CB -1.354 17.631 19.000 -0.025 0.000 0.815 564 A HN 0.337 nan 8.150 nan 0.000 0.449 565 T N -1.282 113.173 114.554 -0.164 0.000 2.684 565 T HA -0.219 4.128 4.350 -0.004 0.000 0.267 565 T C 1.814 176.527 174.700 0.022 0.000 1.036 565 T CA 1.740 63.720 62.100 -0.199 0.000 1.148 565 T CB -0.526 68.050 68.868 -0.488 0.000 0.863 565 T HN 0.693 nan 8.240 nan 0.000 0.436 566 Y N 2.132 122.511 120.300 0.131 0.000 2.145 566 Y HA -0.051 4.497 4.550 -0.004 0.000 0.286 566 Y C 1.963 177.855 175.900 -0.014 0.000 1.145 566 Y CA 0.951 59.160 58.100 0.181 0.000 1.148 566 Y CB -0.771 37.797 38.460 0.180 0.000 0.981 566 Y HN 0.123 nan 8.280 nan 0.000 0.507 567 L N 0.226 121.032 121.223 -0.694 0.000 2.046 567 L HA -0.207 4.130 4.340 -0.004 0.000 0.208 567 L C 2.866 179.488 176.870 -0.414 0.000 1.077 567 L CA 1.322 55.691 54.840 -0.786 0.000 0.747 567 L CB -1.058 40.567 42.059 -0.723 0.000 0.896 567 L HN 0.403 nan 8.230 nan 0.000 0.432 568 A N -1.058 121.596 122.820 -0.277 0.000 1.855 568 A HA -0.209 4.108 4.320 -0.004 0.000 0.215 568 A C 2.536 180.047 177.584 -0.122 0.000 1.191 568 A CA 1.987 53.915 52.037 -0.183 0.000 0.613 568 A CB -0.737 18.150 19.000 -0.189 0.000 0.829 568 A HN 0.344 nan 8.150 nan 0.000 0.442 569 S N -1.348 114.301 115.700 -0.084 0.000 2.345 569 S HA -0.119 4.349 4.470 -0.004 0.000 0.220 569 S C 2.040 176.661 174.600 0.035 0.000 1.031 569 S CA 2.258 60.460 58.200 0.004 0.000 0.996 569 S CB -0.431 62.830 63.200 0.101 0.000 0.882 569 S HN 0.591 nan 8.310 nan 0.000 0.445 570 T N 1.225 115.789 114.554 0.017 0.000 2.983 570 T HA 0.167 4.515 4.350 -0.004 0.000 0.250 570 T C 1.402 176.090 174.700 -0.021 0.000 1.037 570 T CA 0.610 62.744 62.100 0.058 0.000 1.142 570 T CB -0.100 68.906 68.868 0.230 0.000 0.876 570 T HN 0.303 nan 8.240 nan 0.000 0.455 571 E N 1.206 121.299 120.200 -0.178 0.000 2.474 571 E HA 0.161 4.509 4.350 -0.004 0.000 0.195 571 E C -0.021 176.559 176.600 -0.033 0.000 1.039 571 E CA -0.065 56.261 56.400 -0.122 0.000 0.881 571 E CB -0.310 29.241 29.700 -0.249 0.000 0.970 571 E HN 0.545 nan 8.360 nan 0.000 0.486 572 N N 0.658 119.350 118.700 -0.014 0.000 2.740 572 N HA -0.194 4.544 4.740 -0.004 0.000 0.248 572 N C -0.834 174.746 175.510 0.118 0.000 1.062 572 N CA 0.237 53.342 53.050 0.092 0.000 0.704 572 N CB -1.283 37.305 38.487 0.168 0.000 0.968 572 N HN 0.200 nan 8.380 nan 0.000 0.547 573 I N 0.889 121.459 120.570 -0.000 0.000 2.377 573 I HA 0.340 4.508 4.170 -0.004 0.000 0.293 573 I C 0.635 176.715 176.117 -0.061 0.000 0.987 573 I CA -0.858 60.445 61.300 0.006 0.000 1.185 573 I CB 1.299 39.311 38.000 0.020 0.000 1.341 573 I HN 0.046 nan 8.210 nan 0.000 0.455 574 I N 6.562 127.101 120.570 -0.051 0.000 2.452 574 I HA 0.109 4.277 4.170 -0.004 0.000 0.287 574 I C -0.351 175.735 176.117 -0.052 0.000 1.079 574 I CA -0.267 60.954 61.300 -0.131 0.000 1.387 574 I CB 0.722 38.639 38.000 -0.138 0.000 1.404 574 I HN 0.207 nan 8.210 nan 0.000 0.522 575 V N 6.861 126.729 119.914 -0.077 0.000 2.328 575 V HA 0.592 4.710 4.120 -0.004 0.000 0.278 575 V C 0.389 176.497 176.094 0.024 0.000 1.021 575 V CA -0.476 61.832 62.300 0.014 0.000 0.838 575 V CB 1.070 32.895 31.823 0.004 0.000 0.999 575 V HN 0.833 nan 8.190 nan 0.000 0.447 576 A N 4.029 126.899 122.820 0.083 0.000 2.340 576 A HA 0.938 5.256 4.320 -0.004 0.000 0.331 576 A C -0.102 177.636 177.584 0.258 0.000 1.140 576 A CA -0.479 51.602 52.037 0.074 0.000 0.801 576 A CB 1.564 20.453 19.000 -0.185 0.000 1.234 576 A HN 0.698 nan 8.150 nan 0.000 0.469 577 S N -0.084 115.812 115.700 0.326 0.000 2.549 577 S HA 0.758 5.226 4.470 -0.004 0.000 0.280 577 S C -1.424 173.537 174.600 0.602 0.000 1.109 577 S CA -0.320 58.129 58.200 0.414 0.000 0.905 577 S CB 1.361 64.740 63.200 0.298 0.000 1.081 577 S HN 0.747 nan 8.310 nan 0.000 0.477 578 F N 1.723 121.919 119.950 0.410 0.000 2.561 578 F HA 0.480 5.005 4.527 -0.004 0.000 0.313 578 F C -1.553 174.452 175.800 0.343 0.000 1.126 578 F CA -0.716 57.543 58.000 0.433 0.000 0.918 578 F CB 1.517 40.735 39.000 0.363 0.000 1.199 578 F HN 0.395 nan 8.300 nan 0.000 0.444 579 D N 4.617 124.817 120.400 -0.333 0.000 2.473 579 D HA 0.374 5.011 4.640 -0.004 0.000 0.226 579 D C 0.338 176.388 176.300 -0.418 0.000 1.089 579 D CA 0.106 54.005 54.000 -0.169 0.000 0.883 579 D CB 1.469 42.319 40.800 0.083 0.000 1.029 579 D HN 0.760 nan 8.370 nan 0.000 0.517 580 G N 1.233 109.887 108.800 -0.243 0.000 2.641 580 G HA2 0.304 4.261 3.960 -0.004 0.000 0.239 580 G HA3 0.304 4.261 3.960 -0.004 0.000 0.239 580 G C 0.132 175.045 174.900 0.021 0.000 1.402 580 G CA -0.729 44.243 45.100 -0.214 0.000 1.046 580 G HN 0.282 nan 8.290 nan 0.000 0.565 581 R N -0.705 119.778 120.500 -0.028 0.000 2.640 581 R HA 0.352 4.690 4.340 -0.004 0.000 0.270 581 R C 1.297 177.693 176.300 0.160 0.000 1.024 581 R CA 1.428 57.608 56.100 0.134 0.000 1.085 581 R CB 0.382 30.730 30.300 0.081 0.000 0.963 581 R HN 1.075 nan 8.270 nan 0.000 0.426 582 G N 1.076 109.971 108.800 0.158 0.000 2.241 582 G HA2 -0.343 3.615 3.960 -0.004 0.000 0.244 582 G HA3 -0.343 3.615 3.960 -0.004 0.000 0.244 582 G C 0.181 175.127 174.900 0.078 0.000 0.998 582 G CA 0.264 45.440 45.100 0.127 0.000 0.621 582 G HN 0.740 nan 8.290 nan 0.000 0.519 583 S N 0.355 116.113 115.700 0.096 0.000 2.600 583 S HA 0.645 5.113 4.470 -0.004 0.000 0.265 583 S C 0.864 175.471 174.600 0.013 0.000 1.325 583 S CA 0.457 58.708 58.200 0.085 0.000 1.002 583 S CB 1.745 65.026 63.200 0.136 0.000 0.921 583 S HN 1.670 nan 8.310 nan 0.000 0.554 584 G N -0.688 108.081 108.800 -0.051 0.000 2.511 584 G HA2 0.493 4.451 3.960 -0.004 0.000 0.316 584 G HA3 0.493 4.451 3.960 -0.004 0.000 0.316 584 G C -0.929 173.825 174.900 -0.243 0.000 1.210 584 G CA -0.974 43.903 45.100 -0.372 0.000 0.969 584 G HN 1.001 nan 8.290 nan 0.000 0.492 585 Y N -2.483 117.837 120.300 0.034 0.000 4.729 585 Y HA -0.213 4.335 4.550 -0.004 0.000 0.239 585 Y C 1.336 177.258 175.900 0.037 0.000 1.043 585 Y CA 0.998 59.120 58.100 0.038 0.000 2.045 585 Y CB -2.203 36.291 38.460 0.058 0.000 1.599 585 Y HN 0.562 nan 8.280 nan 0.000 0.655 586 Q N -0.057 119.773 119.800 0.050 0.000 2.086 586 Q HA 0.508 4.846 4.340 -0.004 0.000 0.220 586 Q C 0.926 176.840 176.000 -0.143 0.000 0.792 586 Q CA 0.197 56.042 55.803 0.071 0.000 1.062 586 Q CB 1.697 30.474 28.738 0.066 0.000 1.198 586 Q HN 0.602 nan 8.270 nan 0.000 0.466 587 G N 0.815 109.388 108.800 -0.378 0.000 2.699 587 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.686 587 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.686 587 G C -0.501 174.035 174.900 -0.606 0.000 1.301 587 G CA -0.522 44.062 45.100 -0.859 0.000 0.816 587 G HN 0.115 nan 8.290 nan 0.000 0.595 588 D N -0.158 119.839 120.400 -0.671 0.000 2.224 588 D HA -0.026 4.612 4.640 -0.004 0.000 0.205 588 D C 2.229 178.246 176.300 -0.471 0.000 0.965 588 D CA 1.217 54.783 54.000 -0.723 0.000 0.852 588 D CB 0.043 40.365 40.800 -0.796 0.000 0.947 588 D HN 0.583 nan 8.370 nan 0.000 0.494 589 K N 0.483 120.669 120.400 -0.357 0.000 2.063 589 K HA -0.111 4.206 4.320 -0.004 0.000 0.208 589 K C 2.002 178.532 176.600 -0.116 0.000 1.048 589 K CA 0.946 57.116 56.287 -0.194 0.000 0.928 589 K CB -0.020 32.382 32.500 -0.163 0.000 0.713 589 K HN 0.100 nan 8.250 nan 0.000 0.442 590 I N 0.270 120.761 120.570 -0.130 0.000 2.235 590 I HA -0.221 3.946 4.170 -0.004 0.000 0.241 590 I C 2.643 178.760 176.117 -0.000 0.000 1.085 590 I CA 0.889 62.185 61.300 -0.006 0.000 1.378 590 I CB -0.140 37.877 38.000 0.028 0.000 1.076 590 I HN 0.293 nan 8.210 nan 0.000 0.415 591 M N 0.191 119.720 119.600 -0.118 0.000 2.086 591 M HA -0.245 4.233 4.480 -0.004 0.000 0.261 591 M C 1.930 178.289 176.300 0.099 0.000 1.067 591 M CA 2.022 57.283 55.300 -0.064 0.000 1.116 591 M CB -0.330 32.132 32.600 -0.230 0.000 1.348 591 M HN 0.269 nan 8.290 nan 0.000 0.407 592 H N -0.793 118.183 119.070 -0.155 0.000 2.547 592 H HA 0.166 4.720 4.556 -0.004 0.000 0.266 592 H C 1.805 177.158 175.328 0.041 0.000 0.988 592 H CA 0.072 56.039 56.048 -0.134 0.000 1.147 592 H CB 0.133 29.718 29.762 -0.295 0.000 1.365 592 H HN 0.519 nan 8.280 nan 0.000 0.589 593 A N 1.524 124.452 122.820 0.181 0.000 2.019 593 A HA -0.127 4.191 4.320 -0.004 0.000 0.219 593 A C 2.079 179.865 177.584 0.335 0.000 1.164 593 A CA 1.058 53.214 52.037 0.199 0.000 0.644 593 A CB -0.623 18.449 19.000 0.120 0.000 0.805 593 A HN 0.583 nan 8.150 nan 0.000 0.449 594 I N -3.125 117.624 120.570 0.297 0.000 3.861 594 I HA 0.140 4.307 4.170 -0.004 0.000 0.329 594 I C 0.421 176.633 176.117 0.158 0.000 1.321 594 I CA -0.442 60.994 61.300 0.226 0.000 1.126 594 I CB -0.603 37.496 38.000 0.165 0.000 1.018 594 I HN 0.200 nan 8.210 nan 0.000 0.407 595 N N 3.142 121.982 118.700 0.232 0.000 2.359 595 N HA -0.100 4.637 4.740 -0.004 0.000 0.261 595 N C 0.170 175.711 175.510 0.052 0.000 1.267 595 N CA 0.401 53.576 53.050 0.208 0.000 0.864 595 N CB 0.315 38.890 38.487 0.147 0.000 1.063 595 N HN 0.420 nan 8.380 nan 0.000 0.474 596 R N 0.861 121.365 120.500 0.006 0.000 4.000 596 R HA -0.155 4.183 4.340 -0.004 0.000 0.362 596 R C -0.343 175.836 176.300 -0.202 0.000 1.183 596 R CA 0.786 56.844 56.100 -0.069 0.000 1.011 596 R CB -0.785 29.494 30.300 -0.035 0.000 1.501 596 R HN 0.658 nan 8.270 nan 0.000 0.553 597 R N 0.359 120.722 120.500 -0.229 0.000 2.583 597 R HA 0.232 4.570 4.340 -0.004 0.000 0.329 597 R C -0.346 175.887 176.300 -0.112 0.000 1.166 597 R CA -0.265 55.550 56.100 -0.474 0.000 1.264 597 R CB 0.367 30.378 30.300 -0.481 0.000 1.324 597 R HN 0.083 nan 8.270 nan 0.000 0.684 598 L N -0.166 121.065 121.223 0.013 0.000 2.483 598 L HA 0.181 4.518 4.340 -0.004 0.000 0.275 598 L C 1.420 178.535 176.870 0.408 0.000 1.220 598 L CA 0.971 55.881 54.840 0.116 0.000 0.833 598 L CB 0.352 42.261 42.059 -0.249 0.000 1.102 598 L HN 0.667 nan 8.230 nan 0.000 0.490 599 G N 0.646 109.728 108.800 0.469 0.000 2.136 599 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.242 599 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.242 599 G C 0.425 175.420 174.900 0.159 0.000 0.989 599 G CA 0.578 45.900 45.100 0.369 0.000 0.682 599 G HN 0.877 nan 8.290 nan 0.000 0.522 600 T N -3.621 110.982 114.554 0.081 0.000 2.995 600 T HA 0.497 4.845 4.350 -0.004 0.000 0.170 600 T C 1.618 176.295 174.700 -0.039 0.000 0.844 600 T CA 0.899 62.935 62.100 -0.107 0.000 1.137 600 T CB -0.009 68.599 68.868 -0.432 0.000 2.193 600 T HN 0.136 nan 8.240 nan 0.000 0.384 601 F N 3.359 123.350 119.950 0.067 0.000 2.171 601 F HA 0.098 4.623 4.527 -0.004 0.000 0.300 601 F C 2.825 178.659 175.800 0.057 0.000 1.090 601 F CA 1.192 59.221 58.000 0.047 0.000 1.293 601 F CB -0.651 38.373 39.000 0.041 0.000 1.013 601 F HN 0.538 nan 8.300 nan 0.000 0.486 602 E N 0.777 121.138 120.200 0.268 0.000 2.150 602 E HA -0.126 4.221 4.350 -0.004 0.000 0.193 602 E C 2.080 178.790 176.600 0.183 0.000 0.985 602 E CA 1.471 58.003 56.400 0.220 0.000 0.814 602 E CB -1.003 28.834 29.700 0.228 0.000 0.752 602 E HN 0.293 nan 8.360 nan 0.000 0.466 603 V N 1.690 121.687 119.914 0.139 0.000 2.283 603 V HA -0.204 3.914 4.120 -0.004 0.000 0.243 603 V C 2.383 178.514 176.094 0.061 0.000 1.039 603 V CA 2.080 64.415 62.300 0.059 0.000 1.016 603 V CB -0.642 31.170 31.823 -0.017 0.000 0.650 603 V HN 0.201 nan 8.190 nan 0.000 0.449 604 E N 0.275 120.525 120.200 0.083 0.000 2.097 604 E HA -0.265 4.082 4.350 -0.004 0.000 0.196 604 E C 1.903 178.529 176.600 0.043 0.000 1.000 604 E CA 1.654 58.098 56.400 0.074 0.000 0.804 604 E CB -0.217 29.560 29.700 0.130 0.000 0.740 604 E HN 0.576 nan 8.360 nan 0.000 0.454 605 D N 0.124 120.565 120.400 0.069 0.000 2.219 605 D HA -0.120 4.518 4.640 -0.004 0.000 0.205 605 D C 1.953 178.222 176.300 -0.053 0.000 0.970 605 D CA 0.676 54.683 54.000 0.012 0.000 0.851 605 D CB -0.068 40.798 40.800 0.110 0.000 0.943 605 D HN 0.111 nan 8.370 nan 0.000 0.488 606 Q N 0.171 120.012 119.800 0.068 0.000 2.079 606 Q HA -0.031 4.307 4.340 -0.004 0.000 0.200 606 Q C 2.561 178.596 176.000 0.058 0.000 0.974 606 Q CA 0.541 56.394 55.803 0.082 0.000 0.840 606 Q CB -0.169 28.650 28.738 0.134 0.000 0.898 606 Q HN 0.420 nan 8.270 nan 0.000 0.430 607 I N 0.785 121.407 120.570 0.086 0.000 2.142 607 I HA -0.275 3.892 4.170 -0.004 0.000 0.240 607 I C 2.427 178.499 176.117 -0.075 0.000 1.078 607 I CA 1.326 62.709 61.300 0.138 0.000 1.343 607 I CB -0.306 37.766 38.000 0.119 0.000 1.046 607 I HN 0.147 nan 8.210 nan 0.000 0.405 608 E N 1.502 121.605 120.200 -0.161 0.000 2.085 608 E HA -0.223 4.124 4.350 -0.004 0.000 0.194 608 E C 2.110 178.409 176.600 -0.502 0.000 0.994 608 E CA 1.769 58.005 56.400 -0.273 0.000 0.801 608 E CB -0.271 29.287 29.700 -0.236 0.000 0.743 608 E HN 0.419 nan 8.360 nan 0.000 0.453 609 A N 0.893 123.259 122.820 -0.757 0.000 1.892 609 A HA -0.169 4.148 4.320 -0.004 0.000 0.218 609 A C 2.493 179.389 177.584 -1.147 0.000 1.188 609 A CA 2.644 53.922 52.037 -1.266 0.000 0.631 609 A CB -1.238 16.923 19.000 -1.399 0.000 0.822 609 A HN 0.410 nan 8.150 nan 0.000 0.447 610 A N -0.359 122.160 122.820 -0.502 0.000 1.933 610 A HA -0.187 4.131 4.320 -0.004 0.000 0.218 610 A C 2.231 179.633 177.584 -0.304 0.000 1.175 610 A CA 1.580 53.465 52.037 -0.254 0.000 0.628 610 A CB -0.491 18.390 19.000 -0.198 0.000 0.814 610 A HN 0.590 nan 8.150 nan 0.000 0.444 611 R N -0.725 119.581 120.500 -0.324 0.000 2.081 611 R HA -0.127 4.210 4.340 -0.004 0.000 0.235 611 R C 2.361 178.500 176.300 -0.268 0.000 1.131 611 R CA 1.412 57.357 56.100 -0.258 0.000 0.960 611 R CB -0.316 29.856 30.300 -0.212 0.000 0.856 611 R HN 0.584 nan 8.270 nan 0.000 0.436 612 Q N -0.089 119.473 119.800 -0.396 0.000 2.079 612 Q HA -0.107 4.231 4.340 -0.004 0.000 0.200 612 Q C 2.057 177.904 176.000 -0.255 0.000 0.974 612 Q CA 1.278 56.863 55.803 -0.363 0.000 0.840 612 Q CB -0.159 28.283 28.738 -0.494 0.000 0.898 612 Q HN 0.288 nan 8.270 nan 0.000 0.430 613 F N 1.294 121.088 119.950 -0.260 0.000 2.171 613 F HA -0.122 4.403 4.527 -0.004 0.000 0.300 613 F C 2.585 178.215 175.800 -0.283 0.000 1.090 613 F CA 0.750 58.593 58.000 -0.262 0.000 1.293 613 F CB -1.078 37.820 39.000 -0.170 0.000 1.013 613 F HN -0.048 nan 8.300 nan 0.000 0.486 614 S N 0.103 115.765 115.700 -0.063 0.000 2.359 614 S HA -0.219 4.249 4.470 -0.004 0.000 0.224 614 S C 1.943 176.446 174.600 -0.162 0.000 1.035 614 S CA 1.319 59.446 58.200 -0.121 0.000 1.018 614 S CB -0.392 62.733 63.200 -0.124 0.000 0.876 614 S HN 0.358 nan 8.310 nan 0.000 0.448 615 K N 0.761 121.068 120.400 -0.155 0.000 2.218 615 K HA -0.040 4.278 4.320 -0.004 0.000 0.205 615 K C 1.969 178.462 176.600 -0.179 0.000 1.046 615 K CA 1.222 57.422 56.287 -0.144 0.000 0.933 615 K CB -0.293 32.133 32.500 -0.124 0.000 0.728 615 K HN 0.406 nan 8.250 nan 0.000 0.454 616 M N -1.047 118.389 119.600 -0.273 0.000 2.374 616 M HA -0.048 4.430 4.480 -0.004 0.000 0.264 616 M C 1.369 177.355 176.300 -0.524 0.000 1.067 616 M CA 1.354 56.404 55.300 -0.416 0.000 1.103 616 M CB 0.140 32.366 32.600 -0.623 0.000 1.402 616 M HN 0.504 nan 8.290 nan 0.000 0.444 617 G N 0.536 109.071 108.800 -0.441 0.000 2.194 617 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.236 617 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.236 617 G C 0.377 175.219 174.900 -0.098 0.000 0.987 617 G CA 0.224 45.195 45.100 -0.214 0.000 0.635 617 G HN 0.575 nan 8.290 nan 0.000 0.520 618 F N 0.195 120.212 119.950 0.110 0.000 2.668 618 F HA 0.765 5.289 4.527 -0.004 0.000 0.301 618 F C 0.097 176.026 175.800 0.214 0.000 1.106 618 F CA -1.620 56.487 58.000 0.178 0.000 1.289 618 F CB 0.041 39.218 39.000 0.295 0.000 1.006 618 F HN 0.068 nan 8.300 nan 0.000 0.535 619 V N 1.325 121.323 119.914 0.141 0.000 2.448 619 V HA 0.224 4.342 4.120 -0.004 0.000 0.295 619 V C -0.676 175.435 176.094 0.028 0.000 1.025 619 V CA -0.796 61.582 62.300 0.130 0.000 0.859 619 V CB 1.662 33.515 31.823 0.050 0.000 0.988 619 V HN 0.072 nan 8.190 nan 0.000 0.431 620 D N 4.215 124.618 120.400 0.006 0.000 2.359 620 D HA 0.020 4.658 4.640 -0.004 0.000 0.250 620 D C 1.496 177.757 176.300 -0.065 0.000 1.264 620 D CA -0.043 53.925 54.000 -0.053 0.000 0.911 620 D CB 0.551 41.292 40.800 -0.098 0.000 1.056 620 D HN 0.675 nan 8.370 nan 0.000 0.499 621 N N 3.855 122.518 118.700 -0.061 0.000 2.348 621 N HA -0.214 4.524 4.740 -0.004 0.000 0.185 621 N C 0.707 176.182 175.510 -0.058 0.000 1.019 621 N CA 0.758 53.766 53.050 -0.070 0.000 0.880 621 N CB 0.053 38.496 38.487 -0.073 0.000 0.965 621 N HN 0.404 nan 8.380 nan 0.000 0.437 622 K N 0.130 120.504 120.400 -0.044 0.000 2.400 622 K HA 0.128 4.446 4.320 -0.004 0.000 0.194 622 K C 0.430 177.037 176.600 0.013 0.000 1.033 622 K CA 0.217 56.494 56.287 -0.016 0.000 1.021 622 K CB 0.400 32.890 32.500 -0.016 0.000 0.808 622 K HN 0.212 nan 8.250 nan 0.000 0.505 623 R N 1.234 121.713 120.500 -0.035 0.000 2.835 623 R HA 0.355 4.692 4.340 -0.004 0.000 0.290 623 R C -0.828 175.445 176.300 -0.045 0.000 1.410 623 R CA -0.128 55.939 56.100 -0.055 0.000 1.590 623 R CB 0.543 30.637 30.300 -0.343 0.000 1.288 623 R HN -0.013 nan 8.270 nan 0.000 0.637 624 I N 1.092 121.757 120.570 0.157 0.000 2.362 624 I HA 0.538 4.706 4.170 -0.004 0.000 0.289 624 I C 0.107 176.524 176.117 0.499 0.000 0.994 624 I CA -0.727 60.708 61.300 0.224 0.000 1.158 624 I CB 1.817 39.788 38.000 -0.049 0.000 1.315 624 I HN 0.255 nan 8.210 nan 0.000 0.451 625 A N 7.085 130.305 122.820 0.666 0.000 2.387 625 A HA 0.929 5.247 4.320 -0.004 0.000 0.303 625 A C -1.096 176.847 177.584 0.599 0.000 1.145 625 A CA -0.657 51.738 52.037 0.597 0.000 0.801 625 A CB 2.092 21.299 19.000 0.345 0.000 1.342 625 A HN 0.740 nan 8.150 nan 0.000 0.440 626 I N 0.437 121.252 120.570 0.409 0.000 2.722 626 I HA 0.724 4.892 4.170 -0.004 0.000 0.295 626 I C -1.875 174.480 176.117 0.396 0.000 1.161 626 I CA -0.525 60.938 61.300 0.272 0.000 1.032 626 I CB 1.658 39.501 38.000 -0.262 0.000 1.244 626 I HN 0.930 nan 8.210 nan 0.000 0.421 627 W N 7.096 128.515 121.300 0.198 0.000 3.137 627 W HA 0.839 5.497 4.660 -0.004 0.000 0.324 627 W C -1.531 175.140 176.519 0.253 0.000 1.253 627 W CA -0.880 56.603 57.345 0.230 0.000 1.183 627 W CB 1.099 30.757 29.460 0.330 0.000 1.424 627 W HN 0.857 nan 8.180 nan 0.000 0.566 628 G N 0.951 109.674 108.800 -0.130 0.000 2.547 628 G HA2 0.451 4.408 3.960 -0.004 0.000 0.291 628 G HA3 0.451 4.408 3.960 -0.004 0.000 0.291 628 G C -2.831 172.022 174.900 -0.079 0.000 1.471 628 G CA -0.742 44.133 45.100 -0.375 0.000 0.798 628 G HN 0.613 nan 8.290 nan 0.000 0.504 629 W N 0.995 122.174 121.300 -0.202 0.000 2.736 629 W HA 0.619 5.277 4.660 -0.004 0.000 0.335 629 W C 0.739 177.305 176.519 0.077 0.000 1.059 629 W CA 0.421 57.738 57.345 -0.046 0.000 1.226 629 W CB 1.888 31.321 29.460 -0.044 0.000 1.416 629 W HN 1.391 nan 8.180 nan 0.000 0.505 630 S N 2.775 118.711 115.700 0.394 0.000 4.120 630 S HA -0.416 4.051 4.470 -0.004 0.000 0.625 630 S C 1.047 175.780 174.600 0.221 0.000 1.925 630 S CA 1.530 59.998 58.200 0.447 0.000 4.213 630 S CB -1.860 61.764 63.200 0.708 0.000 0.206 630 S HN 0.730 nan 8.310 nan 0.000 0.523 631 Y N 2.406 122.725 120.300 0.032 0.000 2.256 631 Y HA 0.035 4.582 4.550 -0.004 0.000 0.288 631 Y C 2.387 178.184 175.900 -0.172 0.000 1.155 631 Y CA 2.705 60.691 58.100 -0.189 0.000 1.203 631 Y CB -1.014 37.130 38.460 -0.527 0.000 0.980 631 Y HN 0.564 nan 8.280 nan 0.000 0.530 632 G N -1.092 107.710 108.800 0.003 0.000 2.422 632 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.218 632 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.218 632 G C 1.897 176.828 174.900 0.051 0.000 1.140 632 G CA 0.715 45.857 45.100 0.069 0.000 0.775 632 G HN 0.571 nan 8.290 nan 0.000 0.545 633 G N -0.170 108.671 108.800 0.068 0.000 2.403 633 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.216 633 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.216 633 G C 1.579 176.498 174.900 0.033 0.000 1.154 633 G CA 1.012 46.137 45.100 0.042 0.000 0.784 633 G HN 0.408 nan 8.290 nan 0.000 0.538 634 Y N 1.481 121.682 120.300 -0.164 0.000 2.097 634 Y HA -0.154 4.394 4.550 -0.004 0.000 0.282 634 Y C 2.766 178.564 175.900 -0.169 0.000 1.152 634 Y CA 1.761 59.708 58.100 -0.255 0.000 1.136 634 Y CB -0.464 37.687 38.460 -0.515 0.000 0.975 634 Y HN 0.030 nan 8.280 nan 0.000 0.498 635 V N -0.380 119.392 119.914 -0.235 0.000 2.343 635 V HA -0.312 3.806 4.120 -0.004 0.000 0.247 635 V C 2.321 178.296 176.094 -0.198 0.000 1.051 635 V CA 2.360 64.516 62.300 -0.239 0.000 1.036 635 V CB -1.235 30.600 31.823 0.020 0.000 0.654 635 V HN 0.482 nan 8.190 nan 0.000 0.451 636 T N 0.118 114.611 114.554 -0.102 0.000 2.665 636 T HA -0.215 4.133 4.350 -0.004 0.000 0.268 636 T C 2.142 176.780 174.700 -0.104 0.000 1.035 636 T CA 2.116 64.168 62.100 -0.079 0.000 1.151 636 T CB -0.293 68.606 68.868 0.052 0.000 0.862 636 T HN 0.540 nan 8.240 nan 0.000 0.438 637 S N 1.050 116.723 115.700 -0.045 0.000 2.368 637 S HA -0.027 4.440 4.470 -0.004 0.000 0.224 637 S C 2.162 176.679 174.600 -0.138 0.000 1.029 637 S CA 0.937 59.142 58.200 0.008 0.000 0.988 637 S CB -0.295 62.959 63.200 0.091 0.000 0.838 637 S HN 0.312 nan 8.310 nan 0.000 0.462 638 M N 1.062 120.487 119.600 -0.292 0.000 2.080 638 M HA -0.054 4.423 4.480 -0.004 0.000 0.260 638 M C 2.264 178.402 176.300 -0.270 0.000 1.068 638 M CA 1.175 56.284 55.300 -0.319 0.000 1.109 638 M CB -1.540 30.767 32.600 -0.487 0.000 1.342 638 M HN 0.177 nan 8.290 nan 0.000 0.405 639 V N 0.686 120.435 119.914 -0.276 0.000 2.295 639 V HA -0.252 3.866 4.120 -0.004 0.000 0.246 639 V C 2.533 178.430 176.094 -0.329 0.000 1.049 639 V CA 1.495 63.632 62.300 -0.271 0.000 1.024 639 V CB -0.677 30.924 31.823 -0.370 0.000 0.648 639 V HN 0.415 nan 8.190 nan 0.000 0.447 640 L N 0.336 121.292 121.223 -0.445 0.000 2.275 640 L HA -0.040 4.297 4.340 -0.004 0.000 0.215 640 L C 2.187 178.488 176.870 -0.950 0.000 1.119 640 L CA 1.382 55.856 54.840 -0.610 0.000 0.790 640 L CB -0.663 40.997 42.059 -0.665 0.000 0.919 640 L HN 0.484 nan 8.230 nan 0.000 0.443 641 G N -1.427 106.838 108.800 -0.892 0.000 3.189 641 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.225 641 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.225 641 G C 1.479 176.215 174.900 -0.274 0.000 1.159 641 G CA 0.559 45.261 45.100 -0.663 0.000 0.763 641 G HN 0.418 nan 8.290 nan 0.000 0.549 642 S N -0.678 114.885 115.700 -0.229 0.000 2.496 642 S HA 0.293 4.761 4.470 -0.004 0.000 0.224 642 S C 1.984 176.537 174.600 -0.079 0.000 0.996 642 S CA 1.062 59.192 58.200 -0.116 0.000 0.927 642 S CB -0.104 63.047 63.200 -0.081 0.000 0.774 642 S HN 1.354 nan 8.310 nan 0.000 0.524 643 G N 1.337 110.081 108.800 -0.094 0.000 2.148 643 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.254 643 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.254 643 G C 1.027 175.913 174.900 -0.024 0.000 0.981 643 G CA 0.996 46.064 45.100 -0.053 0.000 0.670 643 G HN 1.287 nan 8.290 nan 0.000 0.528 644 S N -0.311 115.385 115.700 -0.007 0.000 2.419 644 S HA 0.252 4.719 4.470 -0.004 0.000 0.233 644 S C 2.659 177.261 174.600 0.004 0.000 1.016 644 S CA 1.875 60.084 58.200 0.015 0.000 0.974 644 S CB -0.401 62.837 63.200 0.063 0.000 0.786 644 S HN 2.460 nan 8.310 nan 0.000 0.492 645 G N -0.184 108.625 108.800 0.015 0.000 2.184 645 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.264 645 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.264 645 G C 0.801 175.685 174.900 -0.026 0.000 0.975 645 G CA 0.483 45.583 45.100 0.001 0.000 0.642 645 G HN 0.745 nan 8.290 nan 0.000 0.536 646 V N -0.571 119.311 119.914 -0.053 0.000 2.488 646 V HA 0.258 4.376 4.120 -0.004 0.000 0.246 646 V C 1.166 177.032 176.094 -0.380 0.000 1.046 646 V CA 1.512 63.646 62.300 -0.277 0.000 1.053 646 V CB -0.328 31.220 31.823 -0.458 0.000 0.679 646 V HN 0.306 nan 8.190 nan 0.000 0.458 647 F N -0.053 119.913 119.950 0.026 0.000 2.436 647 F HA 0.398 4.923 4.527 -0.004 0.000 0.340 647 F C 1.099 176.944 175.800 0.076 0.000 1.113 647 F CA -0.574 57.468 58.000 0.071 0.000 1.022 647 F CB 1.479 40.521 39.000 0.071 0.000 1.128 647 F HN -0.246 nan 8.300 nan 0.000 0.466 648 K N 1.895 122.458 120.400 0.271 0.000 2.062 648 K HA 0.008 4.326 4.320 -0.004 0.000 0.205 648 K C -0.011 176.719 176.600 0.217 0.000 1.051 648 K CA 1.189 57.601 56.287 0.208 0.000 0.941 648 K CB 0.180 32.805 32.500 0.209 0.000 0.719 648 K HN 0.799 nan 8.250 nan 0.000 0.440 649 c N -2.965 115.801 118.600 0.276 0.000 3.311 649 c HA 0.890 5.457 4.570 -0.004 0.000 0.325 649 c C -0.224 174.084 174.090 0.364 0.000 1.352 649 c CA -0.561 55.947 56.329 0.300 0.000 1.308 649 c CB 1.147 43.759 42.510 0.170 0.000 1.619 649 c HN 0.389 nan 8.230 nan 0.000 0.469 650 G N 0.010 109.093 108.800 0.470 0.000 2.623 650 G HA2 0.725 4.682 3.960 -0.004 0.000 0.290 650 G HA3 0.725 4.682 3.960 -0.004 0.000 0.290 650 G C -2.053 173.075 174.900 0.381 0.000 1.437 650 G CA -0.727 44.622 45.100 0.415 0.000 0.798 650 G HN 1.046 nan 8.290 nan 0.000 0.488 651 I N 0.724 121.485 120.570 0.320 0.000 2.478 651 I HA 0.586 4.754 4.170 -0.004 0.000 0.287 651 I C 0.143 176.384 176.117 0.206 0.000 1.042 651 I CA -0.936 60.440 61.300 0.126 0.000 1.067 651 I CB 2.138 40.209 38.000 0.118 0.000 1.233 651 I HN 0.658 nan 8.210 nan 0.000 0.431 652 A N 6.624 129.465 122.820 0.035 0.000 2.271 652 A HA 0.786 5.103 4.320 -0.004 0.000 0.317 652 A C -0.608 176.895 177.584 -0.134 0.000 1.245 652 A CA -0.498 51.562 52.037 0.038 0.000 0.857 652 A CB 1.048 20.126 19.000 0.130 0.000 1.175 652 A HN 0.451 nan 8.150 nan 0.000 0.512 653 V N 2.076 121.866 119.914 -0.206 0.000 2.417 653 V HA 0.570 4.688 4.120 -0.004 0.000 0.291 653 V C 0.972 176.675 176.094 -0.651 0.000 1.024 653 V CA 0.270 62.226 62.300 -0.573 0.000 0.861 653 V CB 0.823 32.004 31.823 -1.071 0.000 0.985 653 V HN 2.066 nan 8.190 nan 0.000 0.436 654 A N 5.439 127.848 122.820 -0.686 0.000 2.511 654 A HA -0.107 4.211 4.320 -0.004 0.000 0.297 654 A C -1.705 175.708 177.584 -0.284 0.000 1.476 654 A CA 0.377 51.915 52.037 -0.831 0.000 0.757 654 A CB -1.618 17.037 19.000 -0.575 0.000 1.072 654 A HN 0.631 nan 8.150 nan 0.000 0.413 655 P HA 0.371 nan 4.420 nan 0.000 0.275 655 P C 0.291 177.572 177.300 -0.032 0.000 1.228 655 P CA -0.093 62.989 63.100 -0.029 0.000 0.786 655 P CB 1.115 32.820 31.700 0.008 0.000 0.927 656 V N 2.590 122.390 119.914 -0.190 0.000 2.740 656 V HA 0.031 4.149 4.120 -0.004 0.000 0.303 656 V C 1.773 177.699 176.094 -0.280 0.000 1.054 656 V CA 1.168 63.207 62.300 -0.436 0.000 1.106 656 V CB 0.525 31.678 31.823 -1.116 0.000 0.957 656 V HN 0.839 nan 8.190 nan 0.000 0.486 657 S N 3.605 119.151 115.700 -0.257 0.000 2.593 657 S HA 0.291 4.759 4.470 -0.004 0.000 0.235 657 S C 0.526 174.963 174.600 -0.271 0.000 1.059 657 S CA -0.352 57.765 58.200 -0.137 0.000 0.953 657 S CB 0.347 63.523 63.200 -0.040 0.000 0.897 657 S HN 0.727 nan 8.310 nan 0.000 0.507 658 R N -0.826 119.379 120.500 -0.492 0.000 2.522 658 R HA 0.319 4.657 4.340 -0.004 0.000 0.273 658 R C -1.079 174.899 176.300 -0.537 0.000 1.133 658 R CA -0.637 55.123 56.100 -0.566 0.000 0.969 658 R CB 0.306 30.114 30.300 -0.821 0.000 1.235 658 R HN 0.239 nan 8.270 nan 0.000 0.433 659 W N 2.086 123.298 121.300 -0.146 0.000 2.392 659 W HA -0.059 4.599 4.660 -0.004 0.000 0.279 659 W C 1.294 177.951 176.519 0.229 0.000 1.225 659 W CA 0.788 58.139 57.345 0.010 0.000 1.233 659 W CB 0.330 29.702 29.460 -0.146 0.000 1.122 659 W HN 0.694 nan 8.180 nan 0.000 0.561 660 E N -0.866 119.525 120.200 0.318 0.000 2.333 660 E HA -0.207 4.141 4.350 -0.004 0.000 0.198 660 E C 1.357 178.109 176.600 0.253 0.000 1.007 660 E CA 0.865 57.384 56.400 0.197 0.000 0.845 660 E CB -0.245 29.466 29.700 0.018 0.000 0.766 660 E HN 0.381 nan 8.360 nan 0.000 0.507 661 Y N -1.441 118.951 120.300 0.154 0.000 2.519 661 Y HA 0.035 4.582 4.550 -0.004 0.000 0.287 661 Y C 0.787 176.794 175.900 0.178 0.000 1.128 661 Y CA -0.229 57.936 58.100 0.108 0.000 1.282 661 Y CB -0.493 37.975 38.460 0.014 0.000 1.027 661 Y HN 0.021 nan 8.280 nan 0.000 0.551 662 Y N 1.977 122.440 120.300 0.272 0.000 2.392 662 Y HA 0.283 4.830 4.550 -0.004 0.000 0.323 662 Y C 0.338 176.465 175.900 0.379 0.000 1.291 662 Y CA -2.070 56.200 58.100 0.283 0.000 1.345 662 Y CB 0.359 39.014 38.460 0.325 0.000 1.320 662 Y HN 0.185 nan 8.280 nan 0.000 0.518 663 D N -0.429 119.679 120.400 -0.486 0.000 2.382 663 D HA 0.083 4.721 4.640 -0.004 0.000 0.240 663 D C 0.958 177.248 176.300 -0.016 0.000 1.146 663 D CA 0.377 54.188 54.000 -0.315 0.000 0.897 663 D CB 0.907 41.284 40.800 -0.705 0.000 1.197 663 D HN 0.490 nan 8.370 nan 0.000 0.432 664 S N 1.177 116.877 115.700 -0.001 0.000 2.353 664 S HA -0.225 4.243 4.470 -0.004 0.000 0.222 664 S C 1.910 176.548 174.600 0.062 0.000 1.035 664 S CA 1.237 59.486 58.200 0.083 0.000 1.025 664 S CB -1.020 62.234 63.200 0.090 0.000 0.902 664 S HN 0.431 nan 8.310 nan 0.000 0.440 665 V N 0.873 120.764 119.914 -0.039 0.000 2.295 665 V HA -0.160 3.957 4.120 -0.004 0.000 0.246 665 V C 2.316 178.339 176.094 -0.118 0.000 1.049 665 V CA 2.194 64.379 62.300 -0.190 0.000 1.024 665 V CB -1.131 30.408 31.823 -0.474 0.000 0.648 665 V HN 0.596 nan 8.190 nan 0.000 0.447 666 Y N 1.428 121.682 120.300 -0.078 0.000 2.109 666 Y HA -0.241 4.306 4.550 -0.004 0.000 0.285 666 Y C 2.745 178.669 175.900 0.040 0.000 1.131 666 Y CA 2.397 60.534 58.100 0.061 0.000 1.121 666 Y CB -0.660 38.023 38.460 0.372 0.000 0.987 666 Y HN 0.216 nan 8.280 nan 0.000 0.495 667 T N 0.428 115.216 114.554 0.391 0.000 2.652 667 T HA -0.215 4.133 4.350 -0.004 0.000 0.267 667 T C 1.549 176.240 174.700 -0.014 0.000 1.039 667 T CA 1.994 64.254 62.100 0.268 0.000 1.153 667 T CB -0.344 68.821 68.868 0.496 0.000 0.863 667 T HN 0.451 nan 8.240 nan 0.000 0.428 668 E N 0.450 120.666 120.200 0.026 0.000 2.268 668 E HA -0.062 4.285 4.350 -0.004 0.000 0.195 668 E C 2.337 178.823 176.600 -0.191 0.000 0.995 668 E CA 0.300 56.702 56.400 0.003 0.000 0.836 668 E CB -0.093 29.654 29.700 0.078 0.000 0.763 668 E HN 0.331 nan 8.360 nan 0.000 0.491 669 R N 0.174 120.396 120.500 -0.463 0.000 2.096 669 R HA -0.178 4.160 4.340 -0.004 0.000 0.235 669 R C 1.205 176.963 176.300 -0.903 0.000 1.127 669 R CA 1.522 57.156 56.100 -0.777 0.000 0.968 669 R CB 0.036 29.555 30.300 -1.301 0.000 0.861 669 R HN 0.255 nan 8.270 nan 0.000 0.440 670 Y N -2.017 117.949 120.300 -0.555 0.000 2.524 670 Y HA 0.199 4.747 4.550 -0.004 0.000 0.270 670 Y C 1.843 177.543 175.900 -0.333 0.000 1.094 670 Y CA 0.068 57.831 58.100 -0.561 0.000 1.276 670 Y CB 0.352 38.340 38.460 -0.787 0.000 1.130 670 Y HN -0.064 nan 8.280 nan 0.000 0.536 671 M N -0.429 119.053 119.600 -0.197 0.000 2.367 671 M HA 0.354 4.832 4.480 -0.004 0.000 0.256 671 M C 1.149 177.464 176.300 0.025 0.000 1.091 671 M CA 0.812 55.997 55.300 -0.192 0.000 1.049 671 M CB -0.295 31.985 32.600 -0.533 0.000 1.406 671 M HN 0.364 nan 8.290 nan 0.000 0.498 672 G N 1.997 110.826 108.800 0.047 0.000 2.569 672 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.259 672 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.259 672 G C -0.440 174.599 174.900 0.232 0.000 1.263 672 G CA -0.635 44.533 45.100 0.113 0.000 0.928 672 G HN 0.359 nan 8.290 nan 0.000 0.572 673 L N 2.034 123.362 121.223 0.175 0.000 2.325 673 L HA 0.444 4.782 4.340 -0.004 0.000 0.279 673 L C -1.542 175.318 176.870 -0.016 0.000 1.054 673 L CA -1.841 53.050 54.840 0.085 0.000 0.804 673 L CB 2.054 44.128 42.059 0.024 0.000 1.200 673 L HN 0.423 nan 8.230 nan 0.000 0.436 674 P HA 0.070 nan 4.420 nan 0.000 0.220 674 P C -0.552 176.604 177.300 -0.240 0.000 1.806 674 P CA -0.114 62.586 63.100 -0.666 0.000 0.976 674 P CB -0.471 30.551 31.700 -1.131 0.000 1.952 675 T N -2.921 111.578 114.554 -0.093 0.000 2.908 675 T HA 0.473 4.821 4.350 -0.004 0.000 0.290 675 T C -2.261 172.438 174.700 -0.002 0.000 1.034 675 T CA -2.569 59.505 62.100 -0.042 0.000 1.010 675 T CB 1.927 70.779 68.868 -0.026 0.000 1.068 675 T HN -0.292 nan 8.240 nan 0.000 0.481 676 P HA -0.165 nan 4.420 nan 0.000 0.217 676 P C 1.381 178.695 177.300 0.023 0.000 1.148 676 P CA 1.187 64.297 63.100 0.017 0.000 0.828 676 P CB 0.103 31.809 31.700 0.010 0.000 0.783 677 E N -1.526 118.684 120.200 0.017 0.000 2.371 677 E HA -0.092 4.255 4.350 -0.004 0.000 0.194 677 E C 1.087 177.703 176.600 0.027 0.000 1.012 677 E CA 0.679 57.089 56.400 0.018 0.000 0.860 677 E CB -0.266 29.440 29.700 0.009 0.000 0.811 677 E HN 0.172 nan 8.360 nan 0.000 0.502 678 D N 1.099 121.520 120.400 0.037 0.000 2.838 678 D HA 0.015 4.653 4.640 -0.004 0.000 0.245 678 D C 0.508 176.861 176.300 0.089 0.000 1.424 678 D CA 0.172 54.206 54.000 0.056 0.000 1.214 678 D CB 0.052 40.887 40.800 0.058 0.000 0.937 678 D HN 0.043 nan 8.370 nan 0.000 0.232 679 N N -0.163 118.623 118.700 0.142 0.000 2.305 679 N HA 0.080 4.818 4.740 -0.004 0.000 0.248 679 N C 0.955 176.657 175.510 0.319 0.000 1.290 679 N CA -0.101 53.081 53.050 0.221 0.000 0.873 679 N CB 0.180 38.819 38.487 0.254 0.000 1.261 679 N HN 0.077 nan 8.380 nan 0.000 0.504 680 L N 0.512 121.847 121.223 0.186 0.000 2.081 680 L HA -0.111 4.226 4.340 -0.004 0.000 0.212 680 L C 1.201 178.178 176.870 0.180 0.000 1.080 680 L CA 1.949 56.876 54.840 0.145 0.000 0.754 680 L CB -0.417 41.661 42.059 0.031 0.000 0.893 680 L HN 0.139 nan 8.230 nan 0.000 0.433 681 D N -1.517 118.970 120.400 0.145 0.000 2.104 681 D HA -0.252 4.386 4.640 -0.004 0.000 0.194 681 D C 2.091 178.478 176.300 0.146 0.000 0.994 681 D CA 1.734 55.806 54.000 0.121 0.000 0.830 681 D CB -0.166 40.694 40.800 0.100 0.000 0.959 681 D HN 0.563 nan 8.370 nan 0.000 0.452 682 H N -0.936 118.196 119.070 0.103 0.000 2.428 682 H HA -0.059 4.494 4.556 -0.004 0.000 0.296 682 H C 1.693 177.077 175.328 0.094 0.000 1.062 682 H CA 1.203 57.290 56.048 0.065 0.000 1.350 682 H CB -0.295 29.469 29.762 0.002 0.000 1.403 682 H HN 0.153 nan 8.280 nan 0.000 0.533 683 Y N 0.270 120.560 120.300 -0.016 0.000 2.151 683 Y HA -0.211 4.337 4.550 -0.004 0.000 0.284 683 Y C 2.320 178.182 175.900 -0.063 0.000 1.166 683 Y CA 1.563 59.658 58.100 -0.008 0.000 1.163 683 Y CB 0.123 38.610 38.460 0.044 0.000 0.974 683 Y HN 0.139 nan 8.280 nan 0.000 0.511 684 R N -0.458 120.105 120.500 0.106 0.000 2.200 684 R HA -0.035 4.303 4.340 -0.004 0.000 0.208 684 R C 1.434 177.721 176.300 -0.022 0.000 1.033 684 R CA 0.592 56.711 56.100 0.031 0.000 1.000 684 R CB -0.672 29.650 30.300 0.037 0.000 0.906 684 R HN 0.495 nan 8.270 nan 0.000 0.462 685 N N 0.645 119.304 118.700 -0.069 0.000 2.424 685 N HA -0.049 4.688 4.740 -0.004 0.000 0.178 685 N C 0.209 175.646 175.510 -0.120 0.000 1.060 685 N CA 0.487 53.492 53.050 -0.075 0.000 0.901 685 N CB 0.402 38.875 38.487 -0.024 0.000 0.979 685 N HN 0.087 nan 8.380 nan 0.000 0.451 686 S N -0.201 115.380 115.700 -0.199 0.000 2.561 686 S HA 0.066 4.534 4.470 -0.004 0.000 0.245 686 S C 0.464 175.096 174.600 0.053 0.000 1.001 686 S CA -0.769 57.377 58.200 -0.089 0.000 1.002 686 S CB -0.047 63.040 63.200 -0.188 0.000 0.805 686 S HN 0.143 nan 8.310 nan 0.000 0.458 687 T N -1.359 113.184 114.554 -0.019 0.000 2.913 687 T HA 0.491 4.839 4.350 -0.004 0.000 0.287 687 T C 1.381 176.065 174.700 -0.027 0.000 1.008 687 T CA -0.620 61.456 62.100 -0.039 0.000 1.067 687 T CB 1.311 70.123 68.868 -0.093 0.000 0.996 687 T HN -0.041 nan 8.240 nan 0.000 0.513 688 V N 2.051 121.944 119.914 -0.034 0.000 2.343 688 V HA -0.159 3.959 4.120 -0.004 0.000 0.247 688 V C 2.652 178.707 176.094 -0.066 0.000 1.051 688 V CA 1.807 64.075 62.300 -0.053 0.000 1.036 688 V CB -0.971 30.813 31.823 -0.066 0.000 0.654 688 V HN 0.827 nan 8.190 nan 0.000 0.451 689 M N 1.200 120.746 119.600 -0.090 0.000 2.202 689 M HA -0.159 4.319 4.480 -0.004 0.000 0.262 689 M C 2.298 178.562 176.300 -0.061 0.000 1.063 689 M CA 2.112 57.352 55.300 -0.099 0.000 1.097 689 M CB -1.002 31.552 32.600 -0.076 0.000 1.382 689 M HN 0.546 nan 8.290 nan 0.000 0.413 690 S N -0.336 115.342 115.700 -0.038 0.000 2.507 690 S HA -0.061 4.407 4.470 -0.004 0.000 0.235 690 S C 1.705 176.307 174.600 0.002 0.000 0.988 690 S CA 0.613 58.801 58.200 -0.018 0.000 0.944 690 S CB -0.428 62.761 63.200 -0.018 0.000 0.762 690 S HN 0.549 nan 8.310 nan 0.000 0.526 691 R N 0.443 120.958 120.500 0.024 0.000 2.393 691 R HA 0.457 4.795 4.340 -0.004 0.000 0.244 691 R C 2.122 178.527 176.300 0.175 0.000 0.920 691 R CA 0.418 56.564 56.100 0.076 0.000 1.076 691 R CB -0.205 30.141 30.300 0.076 0.000 1.119 691 R HN 0.455 nan 8.270 nan 0.000 0.524 692 A N 1.759 124.622 122.820 0.072 0.000 1.927 692 A HA -0.298 4.020 4.320 -0.004 0.000 0.220 692 A C 2.071 179.735 177.584 0.134 0.000 1.185 692 A CA 2.021 54.065 52.037 0.011 0.000 0.639 692 A CB -0.280 18.660 19.000 -0.100 0.000 0.820 692 A HN 0.305 nan 8.150 nan 0.000 0.451 693 E N 0.405 120.660 120.200 0.091 0.000 2.153 693 E HA -0.171 4.176 4.350 -0.004 0.000 0.194 693 E C 1.615 178.273 176.600 0.096 0.000 0.988 693 E CA 1.768 58.216 56.400 0.080 0.000 0.811 693 E CB -0.519 29.208 29.700 0.046 0.000 0.746 693 E HN 0.785 nan 8.360 nan 0.000 0.466 694 N N -1.179 117.576 118.700 0.092 0.000 2.459 694 N HA -0.060 4.678 4.740 -0.004 0.000 0.181 694 N C 0.769 176.259 175.510 -0.034 0.000 1.046 694 N CA 0.275 53.328 53.050 0.006 0.000 0.904 694 N CB -0.106 38.338 38.487 -0.073 0.000 0.964 694 N HN 0.166 nan 8.380 nan 0.000 0.444 695 F N 1.348 121.251 119.950 -0.078 0.000 2.604 695 F HA 0.018 4.542 4.527 -0.004 0.000 0.298 695 F C 1.880 177.682 175.800 0.002 0.000 1.131 695 F CA 0.627 58.576 58.000 -0.085 0.000 1.457 695 F CB 0.088 38.987 39.000 -0.168 0.000 1.095 695 F HN -0.086 nan 8.300 nan 0.000 0.574 696 K N 0.037 120.534 120.400 0.162 0.000 2.360 696 K HA -0.188 4.129 4.320 -0.004 0.000 0.201 696 K C 1.525 178.181 176.600 0.092 0.000 1.046 696 K CA 1.031 57.392 56.287 0.125 0.000 0.945 696 K CB -0.171 32.384 32.500 0.092 0.000 0.750 696 K HN 0.430 nan 8.250 nan 0.000 0.464 697 Q N 0.149 119.981 119.800 0.054 0.000 2.392 697 Q HA 0.031 4.368 4.340 -0.004 0.000 0.203 697 Q C 0.189 176.221 176.000 0.054 0.000 0.917 697 Q CA 0.063 55.889 55.803 0.037 0.000 0.939 697 Q CB 0.745 29.485 28.738 0.003 0.000 1.063 697 Q HN 0.130 nan 8.270 nan 0.000 0.516 698 V N -3.145 116.815 119.914 0.076 0.000 3.130 698 V HA 0.472 4.590 4.120 -0.004 0.000 0.310 698 V C -1.174 175.053 176.094 0.222 0.000 1.158 698 V CA -1.283 61.088 62.300 0.118 0.000 1.029 698 V CB 2.281 34.130 31.823 0.042 0.000 1.057 698 V HN -0.041 nan 8.190 nan 0.000 0.436 699 E N 1.719 122.081 120.200 0.271 0.000 2.167 699 E HA 0.450 4.797 4.350 -0.004 0.000 0.284 699 E C -1.817 175.154 176.600 0.619 0.000 1.016 699 E CA -0.343 56.295 56.400 0.398 0.000 0.817 699 E CB 1.648 31.512 29.700 0.275 0.000 1.080 699 E HN 0.680 nan 8.360 nan 0.000 0.397 700 Y N 3.263 123.826 120.300 0.438 0.000 2.409 700 Y HA 0.461 5.009 4.550 -0.004 0.000 0.343 700 Y C -1.605 174.363 175.900 0.114 0.000 0.973 700 Y CA -1.540 56.749 58.100 0.316 0.000 1.064 700 Y CB 1.140 39.821 38.460 0.368 0.000 1.207 700 Y HN 0.419 nan 8.280 nan 0.000 0.452 701 L N 7.418 128.340 121.223 -0.501 0.000 2.349 701 L HA 0.619 4.957 4.340 -0.004 0.000 0.278 701 L C -2.209 174.203 176.870 -0.763 0.000 0.996 701 L CA -0.791 53.616 54.840 -0.722 0.000 0.825 701 L CB 1.382 42.700 42.059 -1.235 0.000 1.243 701 L HN 0.628 nan 8.230 nan 0.000 0.412 702 L N 6.620 127.495 121.223 -0.581 0.000 2.313 702 L HA 0.715 5.053 4.340 -0.004 0.000 0.283 702 L C -1.137 175.611 176.870 -0.202 0.000 1.013 702 L CA -0.070 54.481 54.840 -0.481 0.000 0.816 702 L CB 1.251 43.064 42.059 -0.409 0.000 1.236 702 L HN 0.595 nan 8.230 nan 0.000 0.419 703 I N 4.397 124.861 120.570 -0.177 0.000 2.619 703 I HA 0.446 4.613 4.170 -0.004 0.000 0.292 703 I C -1.259 174.838 176.117 -0.033 0.000 1.100 703 I CA -0.693 60.556 61.300 -0.085 0.000 1.043 703 I CB 2.122 40.035 38.000 -0.144 0.000 1.239 703 I HN 0.670 nan 8.210 nan 0.000 0.420 704 H N 2.210 121.330 119.070 0.083 0.000 3.085 704 H HA 0.501 5.055 4.556 -0.004 0.000 0.356 704 H C -0.329 175.226 175.328 0.379 0.000 1.178 704 H CA -0.553 55.594 56.048 0.166 0.000 1.214 704 H CB 2.100 31.908 29.762 0.076 0.000 1.881 704 H HN 0.755 nan 8.280 nan 0.000 0.538 705 G N 0.863 109.984 108.800 0.536 0.000 2.390 705 G HA2 0.208 4.166 3.960 -0.004 0.000 0.270 705 G HA3 0.208 4.166 3.960 -0.004 0.000 0.270 705 G C 1.143 176.317 174.900 0.457 0.000 1.211 705 G CA 0.137 45.523 45.100 0.475 0.000 0.842 705 G HN 0.753 nan 8.290 nan 0.000 0.519 706 T N -0.705 113.981 114.554 0.221 0.000 2.995 706 T HA 0.072 4.419 4.350 -0.004 0.000 0.269 706 T C 1.698 176.377 174.700 -0.035 0.000 1.091 706 T CA 1.301 63.343 62.100 -0.097 0.000 1.128 706 T CB 0.144 68.884 68.868 -0.214 0.000 0.891 706 T HN 0.694 nan 8.240 nan 0.000 0.492 707 A N 1.045 123.918 122.820 0.089 0.000 2.708 707 A HA 0.317 4.634 4.320 -0.004 0.000 0.293 707 A C 0.385 177.964 177.584 -0.008 0.000 1.303 707 A CA -0.505 51.572 52.037 0.067 0.000 0.949 707 A CB -0.302 18.986 19.000 0.480 0.000 1.121 707 A HN 0.377 nan 8.150 nan 0.000 0.542 708 D N 1.566 121.972 120.400 0.010 0.000 2.342 708 D HA -0.002 4.636 4.640 -0.004 0.000 0.260 708 D C 0.335 176.615 176.300 -0.033 0.000 1.278 708 D CA 0.099 54.198 54.000 0.165 0.000 0.910 708 D CB 0.668 41.715 40.800 0.412 0.000 1.079 708 D HN 0.565 nan 8.370 nan 0.000 0.496 709 D N 2.264 122.708 120.400 0.073 0.000 2.349 709 D HA -0.125 4.512 4.640 -0.004 0.000 0.215 709 D C 0.883 177.188 176.300 0.008 0.000 1.016 709 D CA -0.098 53.906 54.000 0.007 0.000 0.870 709 D CB 0.487 41.257 40.800 -0.050 0.000 0.917 709 D HN 0.225 nan 8.370 nan 0.000 0.524 710 N N 0.809 119.581 118.700 0.119 0.000 2.523 710 N HA -0.044 4.694 4.740 -0.004 0.000 0.209 710 N C -0.071 175.372 175.510 -0.112 0.000 1.039 710 N CA 0.451 53.604 53.050 0.171 0.000 1.002 710 N CB 0.511 39.131 38.487 0.221 0.000 1.270 710 N HN -0.114 nan 8.380 nan 0.000 0.481 711 V N 4.054 123.901 119.914 -0.112 0.000 2.320 711 V HA 0.206 4.323 4.120 -0.004 0.000 0.265 711 V C -0.564 175.578 176.094 0.081 0.000 1.048 711 V CA -0.676 61.608 62.300 -0.028 0.000 0.865 711 V CB 0.001 31.855 31.823 0.052 0.000 1.043 711 V HN 0.303 nan 8.190 nan 0.000 0.474 712 H N 3.528 122.584 119.070 -0.023 0.000 2.897 712 H HA 0.012 4.566 4.556 -0.004 0.000 0.347 712 H C 0.887 176.064 175.328 -0.252 0.000 1.068 712 H CA -0.253 55.695 56.048 -0.168 0.000 1.426 712 H CB 0.543 30.125 29.762 -0.300 0.000 1.410 712 H HN 0.625 nan 8.280 nan 0.000 0.597 713 F N 2.176 121.917 119.950 -0.347 0.000 2.147 713 F HA -0.322 4.203 4.527 -0.004 0.000 0.301 713 F C 2.593 178.109 175.800 -0.473 0.000 1.084 713 F CA 2.035 59.635 58.000 -0.667 0.000 1.268 713 F CB -0.078 38.724 39.000 -0.330 0.000 1.009 713 F HN 0.671 nan 8.300 nan 0.000 0.486 714 Q N 0.141 119.804 119.800 -0.228 0.000 2.207 714 Q HA -0.356 3.982 4.340 -0.004 0.000 0.215 714 Q C 2.120 177.888 176.000 -0.387 0.000 1.006 714 Q CA 2.558 58.173 55.803 -0.314 0.000 0.903 714 Q CB -0.383 28.139 28.738 -0.361 0.000 0.947 714 Q HN 0.612 nan 8.270 nan 0.000 0.414 715 Q N -0.455 119.161 119.800 -0.308 0.000 2.061 715 Q HA -0.132 4.206 4.340 -0.004 0.000 0.204 715 Q C 2.271 178.174 176.000 -0.162 0.000 0.984 715 Q CA 1.816 57.560 55.803 -0.098 0.000 0.846 715 Q CB -0.156 28.602 28.738 0.033 0.000 0.902 715 Q HN 0.343 nan 8.270 nan 0.000 0.421 716 S N 0.684 116.173 115.700 -0.351 0.000 2.428 716 S HA -0.004 4.464 4.470 -0.004 0.000 0.230 716 S C 2.031 176.380 174.600 -0.417 0.000 1.014 716 S CA 0.680 58.677 58.200 -0.338 0.000 0.957 716 S CB -0.090 62.915 63.200 -0.324 0.000 0.784 716 S HN 0.459 nan 8.310 nan 0.000 0.499 717 A N 1.534 124.013 122.820 -0.568 0.000 1.933 717 A HA -0.144 4.173 4.320 -0.004 0.000 0.218 717 A C 2.140 179.620 177.584 -0.173 0.000 1.175 717 A CA 1.168 53.006 52.037 -0.332 0.000 0.628 717 A CB -0.417 18.444 19.000 -0.232 0.000 0.814 717 A HN 0.371 nan 8.150 nan 0.000 0.444 718 Q N -0.521 119.187 119.800 -0.152 0.000 2.172 718 Q HA -0.011 4.327 4.340 -0.004 0.000 0.200 718 Q C 2.130 178.074 176.000 -0.092 0.000 0.964 718 Q CA 0.977 56.743 55.803 -0.061 0.000 0.855 718 Q CB -0.317 28.464 28.738 0.072 0.000 0.918 718 Q HN 0.782 nan 8.270 nan 0.000 0.444 719 I N 1.240 121.726 120.570 -0.140 0.000 2.142 719 I HA -0.308 3.860 4.170 -0.004 0.000 0.240 719 I C 2.598 178.539 176.117 -0.293 0.000 1.078 719 I CA 1.589 62.756 61.300 -0.222 0.000 1.343 719 I CB -0.500 37.373 38.000 -0.213 0.000 1.046 719 I HN 0.191 nan 8.210 nan 0.000 0.405 720 S N 0.850 116.406 115.700 -0.240 0.000 2.370 720 S HA -0.294 4.174 4.470 -0.004 0.000 0.226 720 S C 2.034 176.605 174.600 -0.047 0.000 1.033 720 S CA 1.590 59.689 58.200 -0.168 0.000 1.011 720 S CB -0.496 62.772 63.200 0.113 0.000 0.852 720 S HN 0.382 nan 8.310 nan 0.000 0.457 721 K N 1.682 122.056 120.400 -0.043 0.000 2.057 721 K HA 0.040 4.357 4.320 -0.004 0.000 0.207 721 K C 2.298 178.876 176.600 -0.036 0.000 1.049 721 K CA 1.134 57.413 56.287 -0.013 0.000 0.931 721 K CB -0.659 31.831 32.500 -0.017 0.000 0.714 721 K HN 0.455 nan 8.250 nan 0.000 0.440 722 A N 0.960 123.728 122.820 -0.087 0.000 1.930 722 A HA -0.090 4.228 4.320 -0.004 0.000 0.217 722 A C 2.064 179.580 177.584 -0.114 0.000 1.175 722 A CA 1.206 53.185 52.037 -0.097 0.000 0.627 722 A CB -0.529 18.396 19.000 -0.124 0.000 0.815 722 A HN 0.306 nan 8.150 nan 0.000 0.443 723 L N -0.656 120.451 121.223 -0.194 0.000 2.056 723 L HA -0.136 4.202 4.340 -0.004 0.000 0.207 723 L C 2.506 179.403 176.870 0.044 0.000 1.078 723 L CA 0.922 55.660 54.840 -0.169 0.000 0.749 723 L CB -0.652 41.126 42.059 -0.468 0.000 0.901 723 L HN 0.222 nan 8.230 nan 0.000 0.433 724 V N -0.013 119.967 119.914 0.109 0.000 2.287 724 V HA -0.318 3.800 4.120 -0.004 0.000 0.248 724 V C 2.018 178.153 176.094 0.068 0.000 1.053 724 V CA 2.034 64.414 62.300 0.133 0.000 1.027 724 V CB -0.558 31.340 31.823 0.125 0.000 0.646 724 V HN 0.437 nan 8.190 nan 0.000 0.447 725 D N 0.111 120.531 120.400 0.033 0.000 2.263 725 D HA -0.096 4.542 4.640 -0.004 0.000 0.208 725 D C 1.744 178.057 176.300 0.023 0.000 0.971 725 D CA 1.553 55.565 54.000 0.021 0.000 0.867 725 D CB -0.077 40.726 40.800 0.006 0.000 0.929 725 D HN 0.569 nan 8.370 nan 0.000 0.492 726 V N -3.859 116.069 119.914 0.024 0.000 3.542 726 V HA 0.498 4.615 4.120 -0.004 0.000 0.296 726 V C 1.196 177.321 176.094 0.051 0.000 1.364 726 V CA 0.261 62.579 62.300 0.031 0.000 1.118 726 V CB -0.096 31.742 31.823 0.025 0.000 0.972 726 V HN 0.128 nan 8.190 nan 0.000 0.430 727 G N 0.551 109.390 108.800 0.065 0.000 2.256 727 G HA2 -0.176 3.781 3.960 -0.004 0.000 0.272 727 G HA3 -0.176 3.781 3.960 -0.004 0.000 0.272 727 G C -0.139 174.826 174.900 0.108 0.000 1.076 727 G CA 0.192 45.339 45.100 0.080 0.000 0.882 727 G HN 0.853 nan 8.290 nan 0.000 0.497 728 V N 0.586 120.587 119.914 0.144 0.000 2.370 728 V HA 0.410 4.527 4.120 -0.004 0.000 0.279 728 V C 0.448 176.731 176.094 0.316 0.000 1.029 728 V CA -0.598 61.821 62.300 0.198 0.000 0.870 728 V CB 1.667 33.593 31.823 0.172 0.000 0.984 728 V HN 0.449 nan 8.190 nan 0.000 0.451 729 D N 4.477 125.029 120.400 0.254 0.000 2.350 729 D HA 0.515 5.153 4.640 -0.004 0.000 0.249 729 D C -0.555 175.975 176.300 0.382 0.000 1.119 729 D CA 0.275 54.410 54.000 0.225 0.000 0.886 729 D CB 0.605 41.475 40.800 0.116 0.000 1.195 729 D HN 0.346 nan 8.370 nan 0.000 0.437 730 F N 0.098 120.127 119.950 0.132 0.000 2.711 730 F HA 0.498 5.023 4.527 -0.004 0.000 0.313 730 F C -1.316 174.542 175.800 0.096 0.000 1.141 730 F CA -1.164 56.935 58.000 0.165 0.000 0.941 730 F CB 0.729 39.859 39.000 0.217 0.000 1.349 730 F HN 0.046 nan 8.300 nan 0.000 0.464 731 Q N 1.391 121.274 119.800 0.138 0.000 2.235 731 Q HA 0.808 5.145 4.340 -0.004 0.000 0.256 731 Q C -0.809 175.189 176.000 -0.003 0.000 0.951 731 Q CA -0.745 55.047 55.803 -0.019 0.000 0.890 731 Q CB 1.999 30.758 28.738 0.034 0.000 1.279 731 Q HN 1.039 nan 8.270 nan 0.000 0.444 732 A N 1.692 124.482 122.820 -0.050 0.000 2.498 732 A HA 0.848 5.165 4.320 -0.004 0.000 0.298 732 A C -1.269 176.274 177.584 -0.069 0.000 1.075 732 A CA -0.597 51.446 52.037 0.010 0.000 0.714 732 A CB 1.901 20.956 19.000 0.092 0.000 1.299 732 A HN 0.621 nan 8.150 nan 0.000 0.407 733 M N 1.605 121.150 119.600 -0.092 0.000 2.255 733 M HA 0.558 5.036 4.480 -0.004 0.000 0.275 733 M C -1.824 174.362 176.300 -0.189 0.000 1.050 733 M CA -0.589 54.513 55.300 -0.329 0.000 0.978 733 M CB 1.064 33.373 32.600 -0.484 0.000 1.761 733 M HN 0.913 nan 8.290 nan 0.000 0.479 734 W N 4.253 125.413 121.300 -0.234 0.000 2.448 734 W HA 0.759 5.417 4.660 -0.004 0.000 0.339 734 W C -1.908 174.350 176.519 -0.436 0.000 1.124 734 W CA -0.687 56.590 57.345 -0.113 0.000 1.262 734 W CB 0.345 29.785 29.460 -0.032 0.000 1.251 734 W HN 0.609 nan 8.180 nan 0.000 0.597 735 Y N 2.212 122.632 120.300 0.200 0.000 2.447 735 Y HA 0.286 4.833 4.550 -0.004 0.000 0.325 735 Y C 0.418 176.425 175.900 0.178 0.000 0.976 735 Y CA -1.164 56.974 58.100 0.065 0.000 1.280 735 Y CB 1.286 39.765 38.460 0.031 0.000 1.104 735 Y HN 0.420 nan 8.280 nan 0.000 0.486 736 T N 4.693 119.413 114.554 0.277 0.000 2.831 736 T HA -0.011 4.337 4.350 -0.004 0.000 0.291 736 T C 0.118 174.889 174.700 0.119 0.000 0.981 736 T CA 0.675 62.895 62.100 0.199 0.000 1.174 736 T CB -0.162 68.770 68.868 0.106 0.000 0.929 736 T HN 0.693 nan 8.240 nan 0.000 0.532 737 D N 0.990 121.429 120.400 0.065 0.000 3.079 737 D HA -0.119 4.519 4.640 -0.004 0.000 0.214 737 D C 0.213 176.627 176.300 0.189 0.000 1.145 737 D CA 1.061 55.019 54.000 -0.070 0.000 0.958 737 D CB -0.417 40.110 40.800 -0.455 0.000 1.117 737 D HN 0.535 nan 8.370 nan 0.000 0.416 738 E N 0.831 121.173 120.200 0.237 0.000 2.277 738 E HA 0.360 4.708 4.350 -0.004 0.000 0.274 738 E C 0.741 177.530 176.600 0.315 0.000 1.022 738 E CA -0.350 56.215 56.400 0.275 0.000 0.853 738 E CB 1.336 31.191 29.700 0.258 0.000 1.086 738 E HN 0.320 nan 8.360 nan 0.000 0.397 739 D N -0.370 120.231 120.400 0.335 0.000 2.541 739 D HA 0.008 4.646 4.640 -0.004 0.000 0.276 739 D C 1.037 177.581 176.300 0.406 0.000 1.190 739 D CA -0.195 54.029 54.000 0.373 0.000 1.095 739 D CB -0.185 40.862 40.800 0.412 0.000 1.173 739 D HN 0.395 nan 8.370 nan 0.000 0.604 740 H N -1.618 117.649 119.070 0.327 0.000 2.489 740 H HA 0.121 4.674 4.556 -0.004 0.000 0.293 740 H C 1.855 177.452 175.328 0.448 0.000 1.066 740 H CA 1.984 58.247 56.048 0.358 0.000 1.305 740 H CB -0.338 29.619 29.762 0.325 0.000 1.386 740 H HN 0.491 nan 8.280 nan 0.000 0.551 741 G N -0.303 108.692 108.800 0.325 0.000 2.683 741 G HA2 0.005 3.963 3.960 -0.004 0.000 0.213 741 G HA3 0.005 3.963 3.960 -0.004 0.000 0.213 741 G C 0.640 175.732 174.900 0.320 0.000 1.142 741 G CA 0.254 45.470 45.100 0.193 0.000 0.793 741 G HN 0.504 nan 8.290 nan 0.000 0.534 742 I N 0.189 120.986 120.570 0.378 0.000 5.115 742 I HA -0.330 3.838 4.170 -0.004 0.000 0.126 742 I C 1.479 177.743 176.117 0.245 0.000 1.316 742 I CA 0.188 61.662 61.300 0.290 0.000 2.641 742 I CB -1.131 37.018 38.000 0.248 0.000 2.272 742 I HN 0.263 nan 8.210 nan 0.000 0.321 743 A N 1.406 124.340 122.820 0.190 0.000 2.431 743 A HA 0.273 4.591 4.320 -0.004 0.000 0.239 743 A C 1.142 178.787 177.584 0.100 0.000 1.230 743 A CA 0.551 52.669 52.037 0.135 0.000 0.928 743 A CB 0.227 19.277 19.000 0.084 0.000 1.006 743 A HN 0.645 nan 8.150 nan 0.000 0.520 744 S N -0.174 115.597 115.700 0.118 0.000 2.568 744 S HA 0.137 4.605 4.470 -0.004 0.000 0.282 744 S C 1.232 175.887 174.600 0.092 0.000 1.338 744 S CA 0.431 58.690 58.200 0.098 0.000 1.045 744 S CB 1.063 64.328 63.200 0.108 0.000 0.873 744 S HN 0.523 nan 8.310 nan 0.000 0.516 745 S N 2.219 117.958 115.700 0.065 0.000 2.365 745 S HA -0.181 4.287 4.470 -0.004 0.000 0.225 745 S C 2.072 176.730 174.600 0.095 0.000 1.039 745 S CA 2.271 60.507 58.200 0.060 0.000 1.033 745 S CB -1.562 61.656 63.200 0.031 0.000 0.887 745 S HN 1.050 nan 8.310 nan 0.000 0.447 746 T N -0.244 114.358 114.554 0.079 0.000 2.777 746 T HA 0.184 4.532 4.350 -0.004 0.000 0.266 746 T C 1.991 176.745 174.700 0.091 0.000 1.040 746 T CA 1.255 63.403 62.100 0.080 0.000 1.141 746 T CB -0.908 67.997 68.868 0.062 0.000 0.868 746 T HN 0.456 nan 8.240 nan 0.000 0.444 747 A N 1.392 124.248 122.820 0.059 0.000 1.930 747 A HA -0.045 4.272 4.320 -0.004 0.000 0.217 747 A C 2.182 179.710 177.584 -0.093 0.000 1.175 747 A CA 1.894 53.897 52.037 -0.058 0.000 0.627 747 A CB -1.212 17.726 19.000 -0.104 0.000 0.815 747 A HN 0.767 nan 8.150 nan 0.000 0.443 748 H N -0.126 118.927 119.070 -0.029 0.000 2.319 748 H HA -0.161 4.393 4.556 -0.004 0.000 0.299 748 H C 2.104 177.496 175.328 0.105 0.000 1.092 748 H CA 2.384 58.473 56.048 0.068 0.000 1.302 748 H CB -0.186 29.625 29.762 0.083 0.000 1.373 748 H HN 0.566 nan 8.280 nan 0.000 0.497 749 Q N -1.004 118.827 119.800 0.050 0.000 2.124 749 Q HA -0.186 4.152 4.340 -0.004 0.000 0.202 749 Q C 2.210 178.201 176.000 -0.016 0.000 0.977 749 Q CA 1.310 57.100 55.803 -0.020 0.000 0.850 749 Q CB -0.161 28.598 28.738 0.034 0.000 0.901 749 Q HN 0.647 nan 8.270 nan 0.000 0.429 750 H N 0.652 119.692 119.070 -0.051 0.000 2.357 750 H HA -0.065 4.489 4.556 -0.004 0.000 0.301 750 H C 2.047 177.364 175.328 -0.017 0.000 1.082 750 H CA 1.273 57.323 56.048 0.003 0.000 1.342 750 H CB 0.022 29.839 29.762 0.093 0.000 1.389 750 H HN 0.275 nan 8.280 nan 0.000 0.511 751 I N 0.166 120.681 120.570 -0.091 0.000 2.202 751 I HA -0.328 3.840 4.170 -0.004 0.000 0.242 751 I C 1.824 177.691 176.117 -0.417 0.000 1.091 751 I CA 1.257 62.412 61.300 -0.242 0.000 1.368 751 I CB -0.270 37.406 38.000 -0.540 0.000 1.058 751 I HN 0.141 nan 8.210 nan 0.000 0.410 752 Y N 1.005 121.070 120.300 -0.393 0.000 2.293 752 Y HA -0.213 4.334 4.550 -0.004 0.000 0.291 752 Y C 2.735 178.414 175.900 -0.368 0.000 1.137 752 Y CA 1.871 59.628 58.100 -0.573 0.000 1.202 752 Y CB -0.982 37.147 38.460 -0.552 0.000 0.990 752 Y HN 0.165 nan 8.280 nan 0.000 0.537 753 T N -1.601 112.872 114.554 -0.136 0.000 2.708 753 T HA -0.237 4.111 4.350 -0.004 0.000 0.266 753 T C 1.573 176.160 174.700 -0.188 0.000 1.037 753 T CA 1.907 63.896 62.100 -0.185 0.000 1.146 753 T CB -0.470 68.295 68.868 -0.171 0.000 0.865 753 T HN 0.400 nan 8.240 nan 0.000 0.435 754 H N 0.892 119.839 119.070 -0.205 0.000 2.321 754 H HA 0.094 4.648 4.556 -0.004 0.000 0.300 754 H C 2.205 177.520 175.328 -0.023 0.000 1.087 754 H CA 1.607 57.609 56.048 -0.076 0.000 1.319 754 H CB -0.287 29.419 29.762 -0.094 0.000 1.379 754 H HN 0.252 nan 8.280 nan 0.000 0.501 755 M N -0.764 118.768 119.600 -0.114 0.000 2.159 755 M HA -0.177 4.300 4.480 -0.004 0.000 0.263 755 M C 2.410 178.832 176.300 0.203 0.000 1.063 755 M CA 1.606 56.843 55.300 -0.105 0.000 1.110 755 M CB -0.043 32.228 32.600 -0.548 0.000 1.374 755 M HN 0.211 nan 8.290 nan 0.000 0.411 756 S N -0.583 115.259 115.700 0.236 0.000 2.359 756 S HA -0.164 4.303 4.470 -0.004 0.000 0.224 756 S C 1.689 176.378 174.600 0.149 0.000 1.035 756 S CA 1.078 59.497 58.200 0.366 0.000 1.018 756 S CB -0.657 62.750 63.200 0.345 0.000 0.876 756 S HN 0.470 nan 8.310 nan 0.000 0.448 757 H N -0.042 119.092 119.070 0.107 0.000 2.352 757 H HA -0.050 4.504 4.556 -0.004 0.000 0.299 757 H C 1.986 177.319 175.328 0.008 0.000 1.097 757 H CA 1.353 57.418 56.048 0.028 0.000 1.311 757 H CB -0.756 28.978 29.762 -0.048 0.000 1.377 757 H HN 0.449 nan 8.280 nan 0.000 0.504 758 F N 1.294 121.235 119.950 -0.015 0.000 2.075 758 F HA -0.194 4.331 4.527 -0.004 0.000 0.297 758 F C 2.297 178.055 175.800 -0.070 0.000 1.113 758 F CA 0.921 58.880 58.000 -0.068 0.000 1.218 758 F CB -0.305 38.628 39.000 -0.113 0.000 0.984 758 F HN -0.052 nan 8.300 nan 0.000 0.472 759 I N 0.799 121.373 120.570 0.006 0.000 2.179 759 I HA -0.286 3.882 4.170 -0.004 0.000 0.242 759 I C 2.260 178.171 176.117 -0.343 0.000 1.088 759 I CA 1.548 62.685 61.300 -0.272 0.000 1.357 759 I CB -1.384 36.532 38.000 -0.139 0.000 1.051 759 I HN 0.226 nan 8.210 nan 0.000 0.409 760 K N 0.119 120.467 120.400 -0.087 0.000 2.057 760 K HA -0.214 4.103 4.320 -0.004 0.000 0.207 760 K C 2.109 178.699 176.600 -0.016 0.000 1.049 760 K CA 1.059 57.352 56.287 0.010 0.000 0.931 760 K CB -0.232 32.324 32.500 0.094 0.000 0.714 760 K HN 0.327 nan 8.250 nan 0.000 0.440 761 Q N 1.401 121.150 119.800 -0.084 0.000 2.020 761 Q HA -0.227 4.110 4.340 -0.004 0.000 0.202 761 Q C 2.293 178.202 176.000 -0.151 0.000 0.982 761 Q CA 1.978 57.715 55.803 -0.110 0.000 0.838 761 Q CB -0.814 27.833 28.738 -0.153 0.000 0.899 761 Q HN 0.415 nan 8.270 nan 0.000 0.423 762 c N 0.296 118.702 118.600 -0.324 0.000 2.413 762 c HA -0.114 4.453 4.570 -0.004 0.000 0.277 762 c C 2.255 176.368 174.090 0.039 0.000 1.265 762 c CA 0.615 56.778 56.329 -0.278 0.000 1.752 762 c CB -1.418 40.764 42.510 -0.547 0.000 1.998 762 c HN 0.550 nan 8.230 nan 0.000 0.489 763 F N 1.642 121.554 119.950 -0.063 0.000 2.732 763 F HA 0.241 4.765 4.527 -0.004 0.000 0.303 763 F C 1.660 177.447 175.800 -0.022 0.000 1.110 763 F CA 0.442 58.426 58.000 -0.026 0.000 1.355 763 F CB -1.187 37.805 39.000 -0.013 0.000 1.081 763 F HN 0.244 nan 8.300 nan 0.000 0.565 764 S N 0.788 116.572 115.700 0.140 0.000 3.641 764 S HA -0.215 4.253 4.470 -0.004 0.000 0.346 764 S C 0.057 174.702 174.600 0.075 0.000 1.074 764 S CA 0.102 58.346 58.200 0.075 0.000 1.026 764 S CB -2.171 61.062 63.200 0.054 0.000 0.908 764 S HN 0.240 nan 8.310 nan 0.000 0.479 765 L N 2.125 123.406 121.223 0.097 0.000 2.275 765 L HA 0.423 4.761 4.340 -0.004 0.000 0.288 765 L C -0.964 175.950 176.870 0.074 0.000 1.046 765 L CA -1.912 52.981 54.840 0.088 0.000 0.805 765 L CB 0.456 42.586 42.059 0.117 0.000 1.193 765 L HN 0.082 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.728 31.700 0.046 0.000 0.726