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 2hha_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 0.063 0.000 1.109 39 T CA 0.000 62.131 62.100 0.052 0.000 1.349 39 T CB 0.000 68.899 68.868 0.052 0.000 0.612 40 R N 2.454 122.998 120.500 0.073 0.000 2.570 40 R HA 0.211 4.549 4.340 -0.004 0.000 0.277 40 R C 1.007 177.357 176.300 0.083 0.000 1.039 40 R CA -0.372 55.773 56.100 0.075 0.000 1.065 40 R CB 0.638 30.981 30.300 0.073 0.000 0.964 40 R HN 0.605 nan 8.270 nan 0.000 0.428 41 K N 0.899 121.352 120.400 0.088 0.000 2.230 41 K HA 0.069 4.387 4.320 -0.004 0.000 0.253 41 K C 0.083 176.748 176.600 0.108 0.000 1.008 41 K CA -0.277 56.070 56.287 0.101 0.000 0.910 41 K CB 0.468 33.038 32.500 0.117 0.000 0.994 41 K HN 0.603 nan 8.250 nan 0.000 0.495 42 T N -1.976 112.652 114.554 0.122 0.000 2.910 42 T HA 0.160 4.508 4.350 -0.004 0.000 0.279 42 T C -0.721 174.101 174.700 0.203 0.000 0.989 42 T CA -0.792 61.392 62.100 0.140 0.000 0.968 42 T CB 0.517 69.464 68.868 0.131 0.000 1.135 42 T HN 0.552 nan 8.240 nan 0.000 0.562 43 Y N 2.514 122.876 120.300 0.104 0.000 2.556 43 Y HA 0.379 4.926 4.550 -0.004 0.000 0.352 43 Y C 0.950 177.005 175.900 0.258 0.000 1.006 43 Y CA -0.556 57.644 58.100 0.167 0.000 1.277 43 Y CB -0.371 38.147 38.460 0.098 0.000 1.136 43 Y HN 1.007 nan 8.280 nan 0.000 0.523 44 T N 1.907 116.453 114.554 -0.013 0.000 2.788 44 T HA 0.089 4.437 4.350 -0.004 0.000 0.280 44 T C 1.075 175.661 174.700 -0.190 0.000 0.984 44 T CA -0.570 61.559 62.100 0.048 0.000 0.972 44 T CB 1.080 69.944 68.868 -0.007 0.000 1.039 44 T HN 0.695 nan 8.240 nan 0.000 0.530 45 L N 0.879 121.820 121.223 -0.471 0.000 2.046 45 L HA 0.021 4.359 4.340 -0.004 0.000 0.208 45 L C 2.662 179.372 176.870 -0.266 0.000 1.077 45 L CA 2.105 56.528 54.840 -0.695 0.000 0.747 45 L CB -1.399 40.119 42.059 -0.903 0.000 0.896 45 L HN 0.949 nan 8.230 nan 0.000 0.432 46 T N -0.578 113.850 114.554 -0.209 0.000 2.803 46 T HA -0.167 4.181 4.350 -0.004 0.000 0.269 46 T C 1.483 176.091 174.700 -0.153 0.000 1.052 46 T CA 1.449 63.463 62.100 -0.143 0.000 1.136 46 T CB -0.418 68.388 68.868 -0.103 0.000 0.864 46 T HN 0.405 nan 8.240 nan 0.000 0.467 47 D N 0.056 120.326 120.400 -0.217 0.000 2.117 47 D HA -0.076 4.562 4.640 -0.004 0.000 0.197 47 D C 1.734 177.941 176.300 -0.155 0.000 0.987 47 D CA 0.948 54.793 54.000 -0.259 0.000 0.829 47 D CB -0.340 40.202 40.800 -0.429 0.000 0.961 47 D HN 0.410 nan 8.370 nan 0.000 0.460 48 Y N 1.663 121.789 120.300 -0.289 0.000 2.109 48 Y HA -0.107 4.441 4.550 -0.003 0.000 0.285 48 Y C 2.191 178.107 175.900 0.027 0.000 1.131 48 Y CA 1.275 59.382 58.100 0.012 0.000 1.121 48 Y CB -0.651 37.871 38.460 0.103 0.000 0.987 48 Y HN -0.115 nan 8.280 nan 0.000 0.495 49 L N 0.034 121.100 121.223 -0.261 0.000 2.191 49 L HA -0.169 4.169 4.340 -0.004 0.000 0.212 49 L C 1.876 178.651 176.870 -0.159 0.000 1.103 49 L CA 1.235 55.907 54.840 -0.280 0.000 0.769 49 L CB -0.494 41.469 42.059 -0.160 0.000 0.908 49 L HN 0.102 nan 8.230 nan 0.000 0.438 50 K N -0.298 120.027 120.400 -0.126 0.000 2.374 50 K HA 0.120 4.438 4.320 -0.004 0.000 0.196 50 K C 0.126 176.677 176.600 -0.082 0.000 1.023 50 K CA -0.060 56.171 56.287 -0.093 0.000 1.103 50 K CB 0.038 32.484 32.500 -0.090 0.000 0.848 50 K HN 0.236 nan 8.250 nan 0.000 0.528 51 N N 1.674 120.334 118.700 -0.067 0.000 2.738 51 N HA -0.168 4.570 4.740 -0.004 0.000 0.249 51 N C 0.895 176.385 175.510 -0.033 0.000 1.047 51 N CA 1.175 54.221 53.050 -0.006 0.000 0.707 51 N CB -1.699 36.777 38.487 -0.017 0.000 0.937 51 N HN 0.454 nan 8.380 nan 0.000 0.545 52 T N -3.794 110.692 114.554 -0.114 0.000 2.737 52 T HA -0.157 4.191 4.350 -0.004 0.000 0.265 52 T C 0.792 175.310 174.700 -0.303 0.000 1.038 52 T CA 0.963 62.895 62.100 -0.281 0.000 1.144 52 T CB -0.221 68.349 68.868 -0.496 0.000 0.866 52 T HN 0.299 nan 8.240 nan 0.000 0.434 53 Y N 2.634 123.026 120.300 0.154 0.000 2.650 53 Y HA 0.521 5.069 4.550 -0.003 0.000 0.343 53 Y C 0.727 176.729 175.900 0.169 0.000 1.078 53 Y CA -1.414 56.796 58.100 0.183 0.000 1.356 53 Y CB -0.041 38.587 38.460 0.281 0.000 1.204 53 Y HN 0.134 nan 8.280 nan 0.000 0.508 54 R N 2.465 123.087 120.500 0.203 0.000 2.340 54 R HA 0.356 4.693 4.340 -0.004 0.000 0.300 54 R C -0.959 175.443 176.300 0.169 0.000 1.069 54 R CA -0.769 55.425 56.100 0.156 0.000 0.984 54 R CB 0.443 30.795 30.300 0.086 0.000 1.003 54 R HN 0.523 nan 8.270 nan 0.000 0.459 55 L N 4.337 125.662 121.223 0.170 0.000 2.331 55 L HA 0.243 4.580 4.340 -0.004 0.000 0.278 55 L C -0.180 176.770 176.870 0.134 0.000 1.106 55 L CA 0.602 55.547 54.840 0.175 0.000 0.824 55 L CB 0.919 43.095 42.059 0.196 0.000 1.142 55 L HN 0.551 nan 8.230 nan 0.000 0.443 56 K N 4.149 124.628 120.400 0.131 0.000 2.110 56 K HA 0.714 5.032 4.320 -0.004 0.000 0.263 56 K C -1.012 175.641 176.600 0.089 0.000 0.975 56 K CA -0.661 55.680 56.287 0.091 0.000 0.895 56 K CB 1.375 33.924 32.500 0.081 0.000 1.060 56 K HN 0.434 nan 8.250 nan 0.000 0.448 57 L N -0.685 120.507 121.223 -0.052 0.000 2.301 57 L HA 0.565 4.903 4.340 -0.004 0.000 0.249 57 L C -1.234 175.330 176.870 -0.511 0.000 1.069 57 L CA -0.972 53.650 54.840 -0.363 0.000 0.865 57 L CB 0.537 42.536 42.059 -0.101 0.000 1.467 57 L HN 0.502 nan 8.230 nan 0.000 0.419 58 Y N 0.051 119.710 120.300 -1.068 0.000 2.609 58 Y HA 0.620 5.168 4.550 -0.003 0.000 0.350 58 Y C -0.761 174.941 175.900 -0.331 0.000 1.050 58 Y CA -0.425 57.316 58.100 -0.599 0.000 1.290 58 Y CB 1.254 39.254 38.460 -0.766 0.000 1.094 58 Y HN 0.651 nan 8.280 nan 0.000 0.583 59 S N 6.156 121.791 115.700 -0.108 0.000 2.416 59 S HA 0.501 4.968 4.470 -0.004 0.000 0.287 59 S C -0.603 173.985 174.600 -0.020 0.000 1.139 59 S CA -0.516 57.663 58.200 -0.035 0.000 1.058 59 S CB -0.204 62.981 63.200 -0.025 0.000 0.967 59 S HN 0.562 nan 8.310 nan 0.000 0.495 60 L N 1.582 122.742 121.223 -0.105 0.000 2.303 60 L HA 0.794 5.132 4.340 -0.004 0.000 0.266 60 L C -0.315 176.431 176.870 -0.207 0.000 1.011 60 L CA -0.969 53.748 54.840 -0.204 0.000 0.818 60 L CB 0.891 42.512 42.059 -0.730 0.000 1.326 60 L HN 0.345 nan 8.230 nan 0.000 0.435 61 R N 0.665 121.081 120.500 -0.140 0.000 2.468 61 R HA 0.358 4.695 4.340 -0.004 0.000 0.302 61 R C -1.714 174.583 176.300 -0.005 0.000 1.041 61 R CA -0.300 55.768 56.100 -0.055 0.000 0.899 61 R CB 1.085 31.404 30.300 0.032 0.000 1.167 61 R HN 0.677 nan 8.270 nan 0.000 0.483 62 W N 4.267 125.661 121.300 0.157 0.000 2.264 62 W HA 0.076 4.734 4.660 -0.003 0.000 0.331 62 W C 1.587 178.179 176.519 0.121 0.000 1.364 62 W CA -0.317 57.132 57.345 0.174 0.000 1.253 62 W CB 0.454 30.009 29.460 0.159 0.000 1.215 62 W HN 0.659 nan 8.180 nan 0.000 0.561 63 I N 0.243 121.024 120.570 0.351 0.000 4.227 63 I HA 0.332 4.500 4.170 -0.004 0.000 0.334 63 I C 0.574 176.781 176.117 0.151 0.000 1.341 63 I CA -0.069 61.342 61.300 0.185 0.000 1.123 63 I CB 0.008 38.062 38.000 0.089 0.000 1.097 63 I HN 0.269 nan 8.210 nan 0.000 0.399 64 S N -0.609 115.203 115.700 0.186 0.000 2.755 64 S HA 0.258 4.726 4.470 -0.004 0.000 0.286 64 S C -0.218 174.397 174.600 0.023 0.000 1.207 64 S CA -0.183 58.041 58.200 0.039 0.000 0.892 64 S CB 1.126 64.260 63.200 -0.110 0.000 1.240 64 S HN 0.047 nan 8.310 nan 0.000 0.525 65 D N 0.237 120.562 120.400 -0.125 0.000 2.363 65 D HA 0.122 4.760 4.640 -0.004 0.000 0.226 65 D C 1.009 177.374 176.300 0.110 0.000 1.020 65 D CA 1.290 55.256 54.000 -0.057 0.000 0.892 65 D CB -0.087 40.715 40.800 0.004 0.000 0.900 65 D HN 0.670 nan 8.370 nan 0.000 0.531 66 H N -2.707 116.548 119.070 0.308 0.000 3.334 66 H HA 0.376 4.930 4.556 -0.004 0.000 0.256 66 H C -0.524 174.987 175.328 0.305 0.000 1.162 66 H CA -0.395 55.870 56.048 0.361 0.000 1.030 66 H CB 0.013 29.982 29.762 0.344 0.000 2.151 66 H HN -0.002 nan 8.280 nan 0.000 0.742 67 E N 1.374 121.799 120.200 0.376 0.000 2.314 67 E HA 0.359 4.707 4.350 -0.004 0.000 0.272 67 E C -1.622 175.203 176.600 0.376 0.000 0.884 67 E CA -1.080 55.496 56.400 0.293 0.000 0.753 67 E CB 3.149 32.962 29.700 0.188 0.000 1.213 67 E HN 0.312 nan 8.360 nan 0.000 0.432 68 Y N -0.309 120.069 120.300 0.130 0.000 2.615 68 Y HA 0.646 5.193 4.550 -0.004 0.000 0.341 68 Y C -1.602 174.314 175.900 0.027 0.000 1.089 68 Y CA -1.327 56.736 58.100 -0.063 0.000 1.049 68 Y CB 0.892 38.997 38.460 -0.592 0.000 1.296 68 Y HN 0.334 nan 8.280 nan 0.000 0.470 69 L N 2.981 124.366 121.223 0.270 0.000 2.322 69 L HA 0.506 4.844 4.340 -0.004 0.000 0.279 69 L C -1.351 175.757 176.870 0.396 0.000 1.036 69 L CA -0.970 53.996 54.840 0.210 0.000 0.807 69 L CB 1.578 43.654 42.059 0.028 0.000 1.226 69 L HN 0.768 nan 8.230 nan 0.000 0.433 70 Y N 2.738 123.175 120.300 0.229 0.000 2.433 70 Y HA 0.304 4.852 4.550 -0.003 0.000 0.337 70 Y C -0.670 175.268 175.900 0.065 0.000 1.026 70 Y CA -1.347 56.828 58.100 0.124 0.000 1.037 70 Y CB 1.727 40.311 38.460 0.206 0.000 1.245 70 Y HN 0.454 nan 8.280 nan 0.000 0.443 71 K N 5.305 125.331 120.400 -0.623 0.000 2.262 71 K HA 0.304 4.622 4.320 -0.004 0.000 0.282 71 K C -1.101 175.085 176.600 -0.690 0.000 1.066 71 K CA -0.345 55.649 56.287 -0.489 0.000 0.901 71 K CB 0.625 32.938 32.500 -0.313 0.000 1.089 71 K HN 0.852 nan 8.250 nan 0.000 0.476 72 Q N 4.194 123.794 119.800 -0.332 0.000 2.320 72 Q HA 0.092 4.430 4.340 -0.004 0.000 0.268 72 Q C -1.135 174.802 176.000 -0.105 0.000 1.023 72 Q CA -0.339 55.352 55.803 -0.186 0.000 0.744 72 Q CB 0.980 29.733 28.738 0.024 0.000 1.246 72 Q HN 0.659 nan 8.270 nan 0.000 0.462 73 E N 3.093 123.234 120.200 -0.099 0.000 2.287 73 E HA -0.313 4.035 4.350 -0.004 0.000 0.229 73 E C -0.555 175.998 176.600 -0.078 0.000 1.194 73 E CA 1.145 57.504 56.400 -0.068 0.000 0.704 73 E CB -1.956 27.720 29.700 -0.040 0.000 1.216 73 E HN 1.128 nan 8.360 nan 0.000 0.381 74 N N -0.906 117.735 118.700 -0.098 0.000 2.690 74 N HA -0.232 4.506 4.740 -0.004 0.000 0.249 74 N C -0.341 175.107 175.510 -0.102 0.000 1.125 74 N CA 0.794 53.788 53.050 -0.094 0.000 0.794 74 N CB -0.441 38.006 38.487 -0.067 0.000 1.152 74 N HN 0.311 nan 8.380 nan 0.000 0.571 75 N N 1.004 119.641 118.700 -0.106 0.000 2.419 75 N HA 0.351 5.089 4.740 -0.004 0.000 0.277 75 N C -0.346 175.099 175.510 -0.108 0.000 1.006 75 N CA -0.220 52.771 53.050 -0.097 0.000 0.923 75 N CB 1.168 39.611 38.487 -0.073 0.000 1.140 75 N HN 0.132 nan 8.380 nan 0.000 0.488 76 I N 3.771 124.277 120.570 -0.108 0.000 2.322 76 I HA 0.194 4.362 4.170 -0.004 0.000 0.292 76 I C 0.122 176.244 176.117 0.008 0.000 1.060 76 I CA -0.245 60.996 61.300 -0.098 0.000 1.309 76 I CB 0.468 38.352 38.000 -0.194 0.000 1.415 76 I HN 0.217 nan 8.210 nan 0.000 0.492 77 L N 6.956 128.195 121.223 0.026 0.000 2.334 77 L HA 0.592 4.930 4.340 -0.004 0.000 0.272 77 L C -0.229 176.658 176.870 0.028 0.000 1.020 77 L CA -0.920 53.924 54.840 0.006 0.000 0.812 77 L CB 2.126 44.144 42.059 -0.069 0.000 1.264 77 L HN 0.297 nan 8.230 nan 0.000 0.439 78 V N 2.021 121.905 119.914 -0.050 0.000 2.483 78 V HA 0.522 4.640 4.120 -0.004 0.000 0.295 78 V C -1.032 174.898 176.094 -0.273 0.000 1.035 78 V CA -0.219 62.056 62.300 -0.042 0.000 0.896 78 V CB 1.524 33.423 31.823 0.125 0.000 0.986 78 V HN 0.469 nan 8.190 nan 0.000 0.447 79 F N 5.055 124.784 119.950 -0.370 0.000 2.508 79 F HA 0.493 5.017 4.527 -0.003 0.000 0.325 79 F C 0.412 175.968 175.800 -0.407 0.000 1.090 79 F CA -0.532 57.153 58.000 -0.526 0.000 0.945 79 F CB 1.767 40.065 39.000 -1.171 0.000 1.156 79 F HN 0.531 nan 8.300 nan 0.000 0.463 80 N N 2.122 120.809 118.700 -0.020 0.000 2.414 80 N HA 0.252 4.990 4.740 -0.004 0.000 0.256 80 N C 0.465 175.940 175.510 -0.059 0.000 1.029 80 N CA 0.152 53.213 53.050 0.018 0.000 0.948 80 N CB 1.796 40.333 38.487 0.084 0.000 1.102 80 N HN 0.821 nan 8.380 nan 0.000 0.496 81 A N 4.029 126.776 122.820 -0.122 0.000 1.877 81 A HA -0.171 4.147 4.320 -0.004 0.000 0.216 81 A C 1.851 179.141 177.584 -0.490 0.000 1.186 81 A CA 1.467 53.322 52.037 -0.303 0.000 0.620 81 A CB -0.531 18.105 19.000 -0.606 0.000 0.822 81 A HN 0.879 nan 8.150 nan 0.000 0.443 82 E N -1.876 117.971 120.200 -0.588 0.000 2.153 82 E HA -0.188 4.160 4.350 -0.004 0.000 0.194 82 E C 1.187 177.396 176.600 -0.652 0.000 0.988 82 E CA 1.429 57.463 56.400 -0.610 0.000 0.811 82 E CB -0.101 29.151 29.700 -0.746 0.000 0.746 82 E HN 0.847 nan 8.360 nan 0.000 0.466 83 Y N -2.565 117.718 120.300 -0.027 0.000 2.423 83 Y HA 0.313 4.861 4.550 -0.004 0.000 0.257 83 Y C 1.540 177.445 175.900 0.008 0.000 1.087 83 Y CA -0.110 57.986 58.100 -0.007 0.000 1.258 83 Y CB 1.487 39.945 38.460 -0.003 0.000 1.237 83 Y HN 0.151 nan 8.280 nan 0.000 0.517 84 G N 1.262 110.138 108.800 0.126 0.000 2.199 84 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.254 84 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.254 84 G C 0.088 175.142 174.900 0.257 0.000 0.982 84 G CA 0.202 45.408 45.100 0.177 0.000 0.632 84 G HN 0.440 nan 8.290 nan 0.000 0.529 85 N N 0.886 119.684 118.700 0.164 0.000 2.415 85 N HA 0.512 5.250 4.740 -0.004 0.000 0.248 85 N C 0.252 175.708 175.510 -0.089 0.000 1.271 85 N CA 0.936 54.020 53.050 0.056 0.000 0.913 85 N CB 1.362 39.874 38.487 0.041 0.000 1.129 85 N HN 1.037 nan 8.380 nan 0.000 0.444 86 S N -0.586 114.961 115.700 -0.254 0.000 2.840 86 S HA 0.793 5.260 4.470 -0.004 0.000 0.307 86 S C -0.903 173.522 174.600 -0.291 0.000 1.180 86 S CA -0.790 57.113 58.200 -0.496 0.000 0.846 86 S CB 1.452 63.913 63.200 -1.231 0.000 1.233 86 S HN 0.697 nan 8.310 nan 0.000 0.548 87 S N -0.635 114.894 115.700 -0.284 0.000 2.588 87 S HA 0.552 5.020 4.470 -0.004 0.000 0.269 87 S C -1.423 173.105 174.600 -0.120 0.000 1.157 87 S CA -0.736 57.372 58.200 -0.154 0.000 0.824 87 S CB 1.467 64.612 63.200 -0.091 0.000 1.126 87 S HN 0.802 nan 8.310 nan 0.000 0.464 88 V N 2.702 122.566 119.914 -0.082 0.000 2.432 88 V HA 0.265 4.383 4.120 -0.004 0.000 0.271 88 V C 0.381 176.468 176.094 -0.012 0.000 1.046 88 V CA 0.075 62.344 62.300 -0.050 0.000 0.945 88 V CB 0.340 32.122 31.823 -0.070 0.000 0.992 88 V HN 0.922 nan 8.190 nan 0.000 0.471 89 F N 5.339 125.229 119.950 -0.101 0.000 2.317 89 F HA 0.365 4.890 4.527 -0.004 0.000 0.293 89 F C 0.500 176.249 175.800 -0.084 0.000 1.085 89 F CA 0.795 58.749 58.000 -0.075 0.000 1.390 89 F CB 0.548 39.517 39.000 -0.052 0.000 1.077 89 F HN 0.345 nan 8.300 nan 0.000 0.517 90 L N 1.170 122.454 121.223 0.103 0.000 2.555 90 L HA 0.268 4.606 4.340 -0.004 0.000 0.264 90 L C -0.910 175.901 176.870 -0.098 0.000 0.972 90 L CA -0.651 54.173 54.840 -0.027 0.000 0.876 90 L CB 1.041 43.134 42.059 0.057 0.000 1.216 90 L HN -0.048 nan 8.230 nan 0.000 0.415 91 E N 2.003 122.114 120.200 -0.148 0.000 2.465 91 E HA -0.050 4.298 4.350 -0.004 0.000 0.260 91 E C 1.126 177.626 176.600 -0.166 0.000 0.980 91 E CA 0.642 56.954 56.400 -0.147 0.000 0.927 91 E CB 0.729 30.335 29.700 -0.156 0.000 0.934 91 E HN 0.597 nan 8.360 nan 0.000 0.459 92 N N 2.012 120.638 118.700 -0.123 0.000 2.258 92 N HA -0.253 4.485 4.740 -0.004 0.000 0.187 92 N C 0.886 176.326 175.510 -0.116 0.000 1.012 92 N CA 1.704 54.690 53.050 -0.107 0.000 0.870 92 N CB -0.399 38.040 38.487 -0.080 0.000 0.977 92 N HN 0.325 nan 8.380 nan 0.000 0.434 93 S N -2.889 112.730 115.700 -0.134 0.000 2.710 93 S HA 0.151 4.619 4.470 -0.004 0.000 0.224 93 S C 1.090 175.558 174.600 -0.220 0.000 0.948 93 S CA -0.181 57.939 58.200 -0.133 0.000 0.949 93 S CB -0.501 62.637 63.200 -0.103 0.000 0.778 93 S HN 0.261 nan 8.310 nan 0.000 0.498 94 T N 1.440 115.771 114.554 -0.372 0.000 2.857 94 T HA 0.144 4.492 4.350 -0.004 0.000 0.266 94 T C -0.027 174.153 174.700 -0.866 0.000 1.048 94 T CA 0.931 62.610 62.100 -0.701 0.000 1.139 94 T CB -0.324 67.903 68.868 -1.069 0.000 0.874 94 T HN 0.577 nan 8.240 nan 0.000 0.455 95 F N 1.389 121.233 119.950 -0.176 0.000 2.893 95 F HA 0.393 4.918 4.527 -0.003 0.000 0.340 95 F C 0.864 176.655 175.800 -0.015 0.000 1.300 95 F CA -1.302 56.620 58.000 -0.129 0.000 1.227 95 F CB 0.105 38.928 39.000 -0.296 0.000 1.044 95 F HN -0.050 nan 8.300 nan 0.000 0.512 96 D N 0.248 120.687 120.400 0.065 0.000 2.137 96 D HA -0.088 4.550 4.640 -0.004 0.000 0.202 96 D C 1.616 177.963 176.300 0.079 0.000 0.970 96 D CA 1.222 55.255 54.000 0.056 0.000 0.837 96 D CB 0.176 40.975 40.800 -0.000 0.000 0.981 96 D HN 0.201 nan 8.370 nan 0.000 0.475 97 E N -0.231 120.016 120.200 0.079 0.000 2.463 97 E HA 0.024 4.372 4.350 -0.004 0.000 0.191 97 E C 1.017 177.681 176.600 0.107 0.000 1.083 97 E CA -0.268 56.170 56.400 0.063 0.000 0.872 97 E CB -0.492 29.233 29.700 0.041 0.000 0.966 97 E HN 0.173 nan 8.360 nan 0.000 0.491 98 F N 0.504 120.464 119.950 0.018 0.000 2.365 98 F HA 0.030 4.554 4.527 -0.004 0.000 0.300 98 F C 1.725 177.468 175.800 -0.095 0.000 1.090 98 F CA 1.413 59.413 58.000 -0.001 0.000 1.408 98 F CB 0.012 39.017 39.000 0.008 0.000 1.060 98 F HN 0.171 nan 8.300 nan 0.000 0.534 99 G N 0.062 108.772 108.800 -0.150 0.000 2.153 99 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.252 99 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.252 99 G C -0.055 174.495 174.900 -0.584 0.000 0.994 99 G CA 0.545 45.430 45.100 -0.358 0.000 0.698 99 G HN 0.576 nan 8.290 nan 0.000 0.521 100 H N -1.080 117.920 119.070 -0.116 0.000 3.079 100 H HA 0.490 5.044 4.556 -0.003 0.000 0.356 100 H C -0.692 174.727 175.328 0.151 0.000 1.221 100 H CA -0.104 55.924 56.048 -0.033 0.000 1.185 100 H CB 1.472 31.043 29.762 -0.320 0.000 1.882 100 H HN 0.180 nan 8.280 nan 0.000 0.543 101 S N 2.821 118.679 115.700 0.263 0.000 2.422 101 S HA 0.287 4.755 4.470 -0.004 0.000 0.283 101 S C 0.328 175.021 174.600 0.154 0.000 1.163 101 S CA -0.657 57.642 58.200 0.166 0.000 1.054 101 S CB -0.686 62.585 63.200 0.118 0.000 0.967 101 S HN 0.368 nan 8.310 nan 0.000 0.499 102 I N 5.570 126.182 120.570 0.070 0.000 2.505 102 I HA 0.075 4.242 4.170 -0.004 0.000 0.287 102 I C 1.521 177.640 176.117 0.003 0.000 1.104 102 I CA -0.252 61.045 61.300 -0.005 0.000 1.387 102 I CB 0.584 38.471 38.000 -0.188 0.000 1.404 102 I HN 0.718 nan 8.210 nan 0.000 0.528 103 N N 4.164 122.865 118.700 0.003 0.000 2.300 103 N HA -0.071 4.667 4.740 -0.004 0.000 0.179 103 N C -0.070 175.389 175.510 -0.084 0.000 1.016 103 N CA 1.033 54.039 53.050 -0.073 0.000 0.876 103 N CB 0.382 38.789 38.487 -0.134 0.000 0.979 103 N HN 0.682 nan 8.380 nan 0.000 0.432 104 D N -2.621 117.763 120.400 -0.027 0.000 2.742 104 D HA 0.135 4.773 4.640 -0.004 0.000 0.262 104 D C -1.686 174.671 176.300 0.096 0.000 1.240 104 D CA -0.520 53.486 54.000 0.010 0.000 0.752 104 D CB 0.533 41.287 40.800 -0.078 0.000 1.290 104 D HN 0.058 nan 8.370 nan 0.000 0.420 105 Y N -0.953 119.351 120.300 0.007 0.000 2.634 105 Y HA 0.809 5.357 4.550 -0.003 0.000 0.340 105 Y C -1.003 174.971 175.900 0.123 0.000 1.058 105 Y CA -1.083 57.046 58.100 0.048 0.000 1.081 105 Y CB 1.695 40.170 38.460 0.025 0.000 1.295 105 Y HN 0.181 nan 8.280 nan 0.000 0.487 106 S N 1.575 117.411 115.700 0.228 0.000 2.652 106 S HA 0.563 5.030 4.470 -0.004 0.000 0.273 106 S C -1.920 172.953 174.600 0.456 0.000 1.172 106 S CA -0.446 57.897 58.200 0.238 0.000 1.009 106 S CB 0.198 63.573 63.200 0.292 0.000 1.094 106 S HN 0.608 nan 8.310 nan 0.000 0.471 107 I N 4.544 125.266 120.570 0.254 0.000 2.395 107 I HA 0.313 4.481 4.170 -0.004 0.000 0.289 107 I C 0.986 176.900 176.117 -0.338 0.000 1.023 107 I CA 0.262 61.614 61.300 0.086 0.000 1.350 107 I CB 1.583 39.637 38.000 0.091 0.000 1.409 107 I HN 0.745 nan 8.210 nan 0.000 0.507 108 S N 6.477 121.645 115.700 -0.887 0.000 2.568 108 S HA 0.182 4.650 4.470 -0.004 0.000 0.282 108 S C -1.800 172.496 174.600 -0.507 0.000 1.338 108 S CA -0.771 56.552 58.200 -1.462 0.000 1.045 108 S CB 0.398 62.678 63.200 -1.532 0.000 0.873 108 S HN 0.458 nan 8.310 nan 0.000 0.516 109 P HA -0.195 nan 4.420 nan 0.000 0.217 109 P C 0.827 178.082 177.300 -0.075 0.000 1.158 109 P CA 1.827 64.853 63.100 -0.123 0.000 0.887 109 P CB -0.193 31.455 31.700 -0.086 0.000 0.792 110 D N -1.968 118.388 120.400 -0.073 0.000 2.352 110 D HA 0.050 4.688 4.640 -0.004 0.000 0.232 110 D C 1.407 177.711 176.300 0.007 0.000 1.055 110 D CA 0.725 54.720 54.000 -0.008 0.000 0.891 110 D CB -1.285 39.536 40.800 0.036 0.000 0.897 110 D HN 0.266 nan 8.370 nan 0.000 0.529 111 G N 0.290 109.083 108.800 -0.010 0.000 2.196 111 G HA2 -0.448 3.509 3.960 -0.004 0.000 0.268 111 G HA3 -0.448 3.509 3.960 -0.004 0.000 0.268 111 G C 1.028 175.925 174.900 -0.004 0.000 0.975 111 G CA 0.658 45.791 45.100 0.055 0.000 0.648 111 G HN 0.480 nan 8.290 nan 0.000 0.538 112 Q N -1.496 118.260 119.800 -0.074 0.000 2.311 112 Q HA 0.343 4.681 4.340 -0.004 0.000 0.203 112 Q C 0.315 175.917 176.000 -0.662 0.000 0.954 112 Q CA 0.680 56.293 55.803 -0.317 0.000 0.885 112 Q CB 0.193 28.776 28.738 -0.260 0.000 0.963 112 Q HN 0.610 nan 8.270 nan 0.000 0.471 113 F N -1.017 118.865 119.950 -0.114 0.000 2.643 113 F HA 0.507 5.031 4.527 -0.004 0.000 0.314 113 F C -0.701 175.148 175.800 0.082 0.000 1.096 113 F CA -1.219 56.776 58.000 -0.009 0.000 0.953 113 F CB 1.706 40.726 39.000 0.034 0.000 1.345 113 F HN -0.235 nan 8.300 nan 0.000 0.468 114 I N 2.532 123.419 120.570 0.528 0.000 2.499 114 I HA 0.490 4.658 4.170 -0.004 0.000 0.288 114 I C -1.885 174.582 176.117 0.585 0.000 1.048 114 I CA -1.007 60.611 61.300 0.528 0.000 1.062 114 I CB 1.544 39.830 38.000 0.477 0.000 1.238 114 I HN 0.533 nan 8.210 nan 0.000 0.426 115 L N 8.278 129.887 121.223 0.643 0.000 2.278 115 L HA 0.454 4.792 4.340 -0.004 0.000 0.287 115 L C -1.107 175.928 176.870 0.275 0.000 1.072 115 L CA 0.048 55.142 54.840 0.424 0.000 0.819 115 L CB 0.838 43.081 42.059 0.308 0.000 1.176 115 L HN 0.512 nan 8.230 nan 0.000 0.435 116 L N 5.261 126.579 121.223 0.158 0.000 2.272 116 L HA 0.467 4.805 4.340 -0.004 0.000 0.289 116 L C -0.013 176.908 176.870 0.084 0.000 1.032 116 L CA -0.358 54.474 54.840 -0.013 0.000 0.810 116 L CB 1.395 43.220 42.059 -0.390 0.000 1.205 116 L HN 0.605 nan 8.230 nan 0.000 0.422 117 E N 4.096 124.310 120.200 0.022 0.000 2.133 117 E HA 0.416 4.764 4.350 -0.004 0.000 0.274 117 E C -1.553 175.024 176.600 -0.039 0.000 0.930 117 E CA -0.532 55.763 56.400 -0.176 0.000 0.770 117 E CB 1.061 30.691 29.700 -0.116 0.000 1.104 117 E HN 0.439 nan 8.360 nan 0.000 0.403 118 Y N 1.691 121.813 120.300 -0.296 0.000 2.818 118 Y HA 0.471 5.019 4.550 -0.003 0.000 0.322 118 Y C -0.009 175.792 175.900 -0.166 0.000 1.323 118 Y CA -1.750 56.259 58.100 -0.151 0.000 1.090 118 Y CB 0.410 38.852 38.460 -0.031 0.000 1.328 118 Y HN 0.495 nan 8.280 nan 0.000 0.482 119 N N -0.357 118.323 118.700 -0.034 0.000 2.735 119 N HA -0.293 4.445 4.740 -0.004 0.000 0.248 119 N C -0.994 174.476 175.510 -0.066 0.000 1.083 119 N CA 0.946 53.934 53.050 -0.104 0.000 0.703 119 N CB -1.497 36.809 38.487 -0.302 0.000 1.005 119 N HN 0.849 nan 8.380 nan 0.000 0.550 120 Y N 0.246 120.466 120.300 -0.133 0.000 2.721 120 Y HA 0.223 4.771 4.550 -0.004 0.000 0.329 120 Y C 0.102 175.958 175.900 -0.074 0.000 1.211 120 Y CA 0.147 58.164 58.100 -0.138 0.000 1.512 120 Y CB 0.663 39.002 38.460 -0.201 0.000 1.249 120 Y HN 0.001 nan 8.280 nan 0.000 0.549 121 V N 8.141 127.683 119.914 -0.621 0.000 2.398 121 V HA 0.176 4.293 4.120 -0.004 0.000 0.282 121 V C -0.200 175.483 176.094 -0.685 0.000 1.014 121 V CA -1.409 60.575 62.300 -0.526 0.000 0.838 121 V CB 0.996 32.675 31.823 -0.241 0.000 1.018 121 V HN 0.762 nan 8.190 nan 0.000 0.432 122 K N 3.479 123.388 120.400 -0.817 0.000 2.485 122 K HA 0.111 4.429 4.320 -0.004 0.000 0.277 122 K C 0.458 176.884 176.600 -0.291 0.000 0.990 122 K CA 0.511 56.528 56.287 -0.450 0.000 0.994 122 K CB 1.088 33.519 32.500 -0.115 0.000 0.906 122 K HN 0.806 nan 8.250 nan 0.000 0.488 123 Q N 3.024 122.656 119.800 -0.281 0.000 2.653 123 Q HA 0.193 4.531 4.340 -0.004 0.000 0.212 123 Q C -0.054 175.737 176.000 -0.348 0.000 0.951 123 Q CA -0.474 54.985 55.803 -0.574 0.000 0.535 123 Q CB 0.133 28.360 28.738 -0.851 0.000 3.737 123 Q HN 0.738 nan 8.270 nan 0.000 0.401 124 W N 0.302 121.606 121.300 0.007 0.000 1.836 124 W HA 0.393 5.051 4.660 -0.003 0.000 0.628 124 W C 1.883 178.401 176.519 -0.002 0.000 1.626 124 W CA -0.704 56.676 57.345 0.060 0.000 1.714 124 W CB -0.149 29.317 29.460 0.010 0.000 3.166 124 W HN 0.302 nan 8.180 nan 0.000 0.772 125 R N -0.611 119.999 120.500 0.184 0.000 2.081 125 R HA -0.142 4.196 4.340 -0.004 0.000 0.235 125 R C 1.744 177.898 176.300 -0.243 0.000 1.131 125 R CA 1.743 57.775 56.100 -0.114 0.000 0.960 125 R CB -0.363 29.724 30.300 -0.355 0.000 0.856 125 R HN 0.494 nan 8.270 nan 0.000 0.436 126 H N -1.386 117.760 119.070 0.126 0.000 2.927 126 H HA 0.151 4.705 4.556 -0.004 0.000 0.255 126 H C 0.621 176.031 175.328 0.135 0.000 0.974 126 H CA 0.462 56.602 56.048 0.154 0.000 1.199 126 H CB 0.302 30.129 29.762 0.109 0.000 1.447 126 H HN 0.143 nan 8.280 nan 0.000 0.467 127 S N 1.301 116.981 115.700 -0.032 0.000 2.585 127 S HA 0.367 4.835 4.470 -0.004 0.000 0.273 127 S C -0.302 174.157 174.600 -0.235 0.000 1.339 127 S CA -0.442 57.413 58.200 -0.576 0.000 1.028 127 S CB 0.748 63.058 63.200 -1.483 0.000 0.906 127 S HN 0.436 nan 8.310 nan 0.000 0.528 128 Y N -2.231 117.923 120.300 -0.243 0.000 2.732 128 Y HA 0.648 5.196 4.550 -0.004 0.000 0.342 128 Y C -0.934 174.935 175.900 -0.051 0.000 1.203 128 Y CA -0.977 56.993 58.100 -0.215 0.000 1.092 128 Y CB 0.425 38.770 38.460 -0.191 0.000 1.345 128 Y HN 0.853 nan 8.280 nan 0.000 0.458 129 T N 0.059 114.685 114.554 0.119 0.000 2.912 129 T HA 1.024 5.372 4.350 -0.004 0.000 0.288 129 T C -0.436 174.364 174.700 0.167 0.000 1.030 129 T CA -0.158 62.020 62.100 0.130 0.000 1.020 129 T CB 1.813 70.692 68.868 0.018 0.000 1.056 129 T HN 1.807 nan 8.240 nan 0.000 0.480 130 A N 1.004 123.902 122.820 0.129 0.000 2.564 130 A HA 0.787 5.105 4.320 -0.004 0.000 0.291 130 A C -0.618 176.779 177.584 -0.310 0.000 1.102 130 A CA -0.980 50.982 52.037 -0.124 0.000 0.660 130 A CB 1.006 19.905 19.000 -0.169 0.000 1.283 130 A HN 0.813 nan 8.150 nan 0.000 0.430 131 S N -0.839 114.432 115.700 -0.716 0.000 2.651 131 S HA 0.860 5.328 4.470 -0.004 0.000 0.291 131 S C -1.484 172.503 174.600 -1.021 0.000 1.141 131 S CA -0.097 57.620 58.200 -0.805 0.000 1.027 131 S CB 0.727 63.156 63.200 -1.285 0.000 1.043 131 S HN 0.480 nan 8.310 nan 0.000 0.530 132 Y N -0.204 119.905 120.300 -0.317 0.000 2.571 132 Y HA 0.511 5.059 4.550 -0.003 0.000 0.341 132 Y C -0.504 175.468 175.900 0.120 0.000 1.076 132 Y CA -0.970 57.096 58.100 -0.056 0.000 1.029 132 Y CB 1.770 40.133 38.460 -0.162 0.000 1.308 132 Y HN 0.485 nan 8.280 nan 0.000 0.461 133 D N 1.665 122.282 120.400 0.363 0.000 2.732 133 D HA 0.557 5.195 4.640 -0.004 0.000 0.229 133 D C -1.060 175.369 176.300 0.215 0.000 1.152 133 D CA -0.344 53.830 54.000 0.291 0.000 0.854 133 D CB 2.812 43.859 40.800 0.413 0.000 1.590 133 D HN 0.407 nan 8.370 nan 0.000 0.468 134 I N 1.663 122.357 120.570 0.207 0.000 2.404 134 I HA 0.263 4.431 4.170 -0.004 0.000 0.293 134 I C -0.927 175.412 176.117 0.369 0.000 0.992 134 I CA -0.945 60.521 61.300 0.276 0.000 1.149 134 I CB 1.507 39.626 38.000 0.198 0.000 1.315 134 I HN 0.229 nan 8.210 nan 0.000 0.446 135 Y N 5.333 125.811 120.300 0.296 0.000 2.335 135 Y HA 0.274 4.821 4.550 -0.004 0.000 0.338 135 Y C -0.178 175.908 175.900 0.311 0.000 0.977 135 Y CA -0.780 57.493 58.100 0.289 0.000 1.114 135 Y CB 1.130 39.776 38.460 0.310 0.000 1.182 135 Y HN 0.476 nan 8.280 nan 0.000 0.463 136 D N 6.594 126.853 120.400 -0.234 0.000 2.352 136 D HA 0.076 4.714 4.640 -0.004 0.000 0.245 136 D C 0.784 176.728 176.300 -0.593 0.000 1.224 136 D CA 0.314 54.102 54.000 -0.354 0.000 0.879 136 D CB 0.836 41.499 40.800 -0.228 0.000 1.057 136 D HN 0.877 nan 8.370 nan 0.000 0.491 137 L N 3.618 124.600 121.223 -0.402 0.000 2.141 137 L HA -0.160 4.177 4.340 -0.004 0.000 0.209 137 L C 2.160 178.861 176.870 -0.281 0.000 1.094 137 L CA 0.551 55.250 54.840 -0.236 0.000 0.763 137 L CB -0.289 41.688 42.059 -0.137 0.000 0.908 137 L HN 0.395 nan 8.230 nan 0.000 0.437 138 N N 0.940 119.431 118.700 -0.350 0.000 2.051 138 N HA -0.173 4.565 4.740 -0.004 0.000 0.192 138 N C 1.626 177.005 175.510 -0.217 0.000 1.049 138 N CA 1.429 54.321 53.050 -0.264 0.000 0.845 138 N CB -0.248 38.074 38.487 -0.276 0.000 1.031 138 N HN 0.340 nan 8.380 nan 0.000 0.425 139 K N 0.787 121.046 120.400 -0.235 0.000 2.486 139 K HA 0.149 4.467 4.320 -0.004 0.000 0.194 139 K C -0.005 176.476 176.600 -0.199 0.000 1.033 139 K CA -0.014 56.165 56.287 -0.179 0.000 1.004 139 K CB 0.171 32.583 32.500 -0.147 0.000 0.798 139 K HN 0.155 nan 8.250 nan 0.000 0.495 140 R N 1.088 121.406 120.500 -0.303 0.000 3.416 140 R HA -0.214 4.124 4.340 -0.004 0.000 0.263 140 R C -0.854 175.270 176.300 -0.293 0.000 1.053 140 R CA 0.693 56.616 56.100 -0.295 0.000 0.705 140 R CB -2.153 28.112 30.300 -0.058 0.000 1.124 140 R HN 0.440 nan 8.270 nan 0.000 0.444 141 Q N -0.046 119.472 119.800 -0.470 0.000 2.416 141 Q HA 0.583 4.921 4.340 -0.004 0.000 0.279 141 Q C -0.889 174.990 176.000 -0.201 0.000 1.101 141 Q CA -1.226 54.469 55.803 -0.180 0.000 0.830 141 Q CB 1.939 30.630 28.738 -0.078 0.000 1.402 141 Q HN 0.084 nan 8.270 nan 0.000 0.445 142 L N 1.811 123.130 121.223 0.160 0.000 2.272 142 L HA 0.416 4.753 4.340 -0.004 0.000 0.289 142 L C -0.934 176.046 176.870 0.182 0.000 1.032 142 L CA -0.138 54.892 54.840 0.316 0.000 0.810 142 L CB 0.870 43.197 42.059 0.448 0.000 1.205 142 L HN 0.545 nan 8.230 nan 0.000 0.422 143 I N 4.343 125.015 120.570 0.171 0.000 2.668 143 I HA 0.030 4.198 4.170 -0.004 0.000 0.285 143 I C 0.999 177.177 176.117 0.102 0.000 1.168 143 I CA 0.527 61.897 61.300 0.116 0.000 1.424 143 I CB 0.667 38.731 38.000 0.107 0.000 1.377 143 I HN 0.807 nan 8.210 nan 0.000 0.560 144 T N 0.759 115.353 114.554 0.067 0.000 3.040 144 T HA 0.288 4.636 4.350 -0.004 0.000 0.266 144 T C 0.338 175.048 174.700 0.016 0.000 1.005 144 T CA -0.407 61.722 62.100 0.049 0.000 0.906 144 T CB -0.010 68.887 68.868 0.047 0.000 1.082 144 T HN 0.550 nan 8.240 nan 0.000 0.531 145 E N 1.842 122.046 120.200 0.007 0.000 2.195 145 E HA 0.399 4.747 4.350 -0.004 0.000 0.271 145 E C -0.517 176.058 176.600 -0.040 0.000 0.923 145 E CA -0.951 55.439 56.400 -0.016 0.000 0.790 145 E CB 0.863 30.557 29.700 -0.009 0.000 1.155 145 E HN 0.094 nan 8.360 nan 0.000 0.402 146 E N 1.391 121.553 120.200 -0.063 0.000 2.228 146 E HA -0.246 4.102 4.350 -0.004 0.000 0.213 146 E C -0.730 175.797 176.600 -0.123 0.000 1.282 146 E CA 0.721 57.064 56.400 -0.095 0.000 0.707 146 E CB -1.267 28.384 29.700 -0.082 0.000 1.150 146 E HN 0.476 nan 8.360 nan 0.000 0.362 147 R N -0.184 120.242 120.500 -0.123 0.000 2.694 147 R HA 0.308 4.646 4.340 -0.004 0.000 0.268 147 R C 1.134 177.277 176.300 -0.263 0.000 1.061 147 R CA -0.378 55.638 56.100 -0.141 0.000 1.133 147 R CB 0.499 30.749 30.300 -0.083 0.000 1.020 147 R HN 0.162 nan 8.270 nan 0.000 0.475 148 I N 4.414 124.793 120.570 -0.319 0.000 2.683 148 I HA -0.006 4.161 4.170 -0.004 0.000 0.286 148 I C -1.694 174.145 176.117 -0.465 0.000 1.175 148 I CA -1.405 59.555 61.300 -0.566 0.000 1.429 148 I CB 0.429 38.089 38.000 -0.567 0.000 1.371 148 I HN 0.344 nan 8.210 nan 0.000 0.569 149 P HA 0.011 nan 4.420 nan 0.000 0.269 149 P C -0.869 176.246 177.300 -0.310 0.000 1.217 149 P CA -0.162 62.577 63.100 -0.602 0.000 0.783 149 P CB 0.354 31.304 31.700 -1.250 0.000 0.898 150 N N 2.466 121.059 118.700 -0.178 0.000 2.513 150 N HA 0.094 4.832 4.740 -0.004 0.000 0.274 150 N C 0.208 175.790 175.510 0.120 0.000 1.189 150 N CA 0.078 53.094 53.050 -0.057 0.000 0.975 150 N CB -0.147 38.310 38.487 -0.051 0.000 1.157 150 N HN 0.401 nan 8.380 nan 0.000 0.465 151 N N -0.713 118.051 118.700 0.106 0.000 2.862 151 N HA -0.139 4.599 4.740 -0.004 0.000 0.248 151 N C -0.923 174.767 175.510 0.299 0.000 1.116 151 N CA 0.586 53.741 53.050 0.175 0.000 0.727 151 N CB -1.696 36.907 38.487 0.192 0.000 1.083 151 N HN 0.465 nan 8.380 nan 0.000 0.555 152 T N 0.908 115.630 114.554 0.280 0.000 2.851 152 T HA 0.148 4.496 4.350 -0.004 0.000 0.298 152 T C 1.707 176.560 174.700 0.256 0.000 0.977 152 T CA 0.002 62.275 62.100 0.290 0.000 1.126 152 T CB 1.242 70.163 68.868 0.089 0.000 0.916 152 T HN 0.143 nan 8.240 nan 0.000 0.529 153 Q N 1.917 121.858 119.800 0.236 0.000 2.331 153 Q HA 0.133 4.471 4.340 -0.004 0.000 0.203 153 Q C 0.149 176.334 176.000 0.308 0.000 0.944 153 Q CA 0.441 56.407 55.803 0.271 0.000 0.892 153 Q CB 0.698 29.565 28.738 0.214 0.000 0.983 153 Q HN 0.695 nan 8.270 nan 0.000 0.482 154 W N -0.591 120.670 121.300 -0.064 0.000 3.700 154 W HA 0.431 5.089 4.660 -0.003 0.000 0.279 154 W C -2.416 174.001 176.519 -0.170 0.000 1.270 154 W CA -0.697 56.557 57.345 -0.152 0.000 1.216 154 W CB 0.970 30.271 29.460 -0.265 0.000 1.292 154 W HN -0.300 nan 8.180 nan 0.000 0.557 155 V N 4.536 123.712 119.914 -1.230 0.000 2.932 155 V HA 0.805 4.923 4.120 -0.004 0.000 0.307 155 V C -1.619 173.867 176.094 -1.013 0.000 1.147 155 V CA -0.001 61.757 62.300 -0.904 0.000 0.951 155 V CB 2.190 33.424 31.823 -0.981 0.000 1.031 155 V HN 0.650 nan 8.190 nan 0.000 0.426 156 T N 5.489 119.765 114.554 -0.463 0.000 3.105 156 T HA 0.499 4.847 4.350 -0.004 0.000 0.321 156 T C -1.107 173.616 174.700 0.038 0.000 1.135 156 T CA -0.303 61.697 62.100 -0.168 0.000 1.053 156 T CB 0.785 69.787 68.868 0.223 0.000 1.133 156 T HN 0.743 nan 8.240 nan 0.000 0.463 157 W N 3.252 124.589 121.300 0.062 0.000 2.112 157 W HA 0.409 5.066 4.660 -0.004 0.000 0.349 157 W C 1.304 177.710 176.519 -0.188 0.000 1.289 157 W CA -0.421 56.918 57.345 -0.009 0.000 1.256 157 W CB 0.553 30.003 29.460 -0.016 0.000 1.148 157 W HN 0.815 nan 8.180 nan 0.000 0.590 158 S N 1.948 117.463 115.700 -0.307 0.000 2.593 158 S HA 0.144 4.612 4.470 -0.004 0.000 0.269 158 S C -1.373 172.955 174.600 -0.452 0.000 1.334 158 S CA -1.069 56.392 58.200 -1.232 0.000 1.015 158 S CB 1.038 63.358 63.200 -1.467 0.000 0.912 158 S HN 0.412 nan 8.310 nan 0.000 0.541 159 P HA 0.006 nan 4.420 nan 0.000 0.222 159 P C 0.006 177.248 177.300 -0.096 0.000 1.147 159 P CA 0.771 63.813 63.100 -0.096 0.000 0.790 159 P CB 0.007 31.695 31.700 -0.021 0.000 0.780 160 V N -1.712 118.097 119.914 -0.175 0.000 3.007 160 V HA 0.636 4.753 4.120 -0.004 0.000 0.311 160 V C 0.762 176.740 176.094 -0.193 0.000 1.120 160 V CA 0.052 62.268 62.300 -0.139 0.000 0.980 160 V CB 1.110 32.865 31.823 -0.113 0.000 1.033 160 V HN 0.447 nan 8.190 nan 0.000 0.429 161 G N 2.278 110.981 108.800 -0.161 0.000 2.509 161 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.259 161 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.259 161 G C 0.121 174.912 174.900 -0.181 0.000 1.169 161 G CA 0.615 45.574 45.100 -0.234 0.000 0.953 161 G HN 1.899 nan 8.290 nan 0.000 0.563 162 H N -0.640 118.422 119.070 -0.013 0.000 3.038 162 H HA 0.405 4.959 4.556 -0.003 0.000 0.238 162 H C 0.272 175.749 175.328 0.248 0.000 1.246 162 H CA -0.195 55.900 56.048 0.078 0.000 0.966 162 H CB -0.122 29.682 29.762 0.070 0.000 2.394 162 H HN 0.490 nan 8.280 nan 0.000 0.633 163 K N 1.687 122.135 120.400 0.080 0.000 2.258 163 K HA 0.411 4.729 4.320 -0.004 0.000 0.264 163 K C -0.437 176.285 176.600 0.203 0.000 1.007 163 K CA -0.269 56.067 56.287 0.082 0.000 0.941 163 K CB 1.641 34.026 32.500 -0.192 0.000 0.966 163 K HN 0.173 nan 8.250 nan 0.000 0.480 164 L N 1.309 122.675 121.223 0.237 0.000 2.386 164 L HA 0.538 4.876 4.340 -0.004 0.000 0.271 164 L C -0.944 176.124 176.870 0.330 0.000 0.993 164 L CA -0.765 54.167 54.840 0.152 0.000 0.819 164 L CB 2.086 44.077 42.059 -0.113 0.000 1.294 164 L HN 0.713 nan 8.230 nan 0.000 0.414 165 A N 2.977 125.988 122.820 0.318 0.000 2.371 165 A HA 0.850 5.167 4.320 -0.004 0.000 0.311 165 A C -1.606 176.021 177.584 0.072 0.000 1.068 165 A CA -0.369 51.751 52.037 0.138 0.000 0.744 165 A CB 1.304 20.293 19.000 -0.018 0.000 1.239 165 A HN 0.657 nan 8.150 nan 0.000 0.435 166 Y N -0.856 119.394 120.300 -0.084 0.000 2.625 166 Y HA 0.759 5.307 4.550 -0.003 0.000 0.338 166 Y C -1.271 174.628 175.900 -0.001 0.000 1.123 166 Y CA -1.588 56.443 58.100 -0.116 0.000 1.046 166 Y CB 1.056 39.379 38.460 -0.228 0.000 1.299 166 Y HN 0.419 nan 8.280 nan 0.000 0.464 167 V N 1.728 121.754 119.914 0.187 0.000 2.448 167 V HA 0.400 4.518 4.120 -0.004 0.000 0.295 167 V C -1.492 174.799 176.094 0.329 0.000 1.025 167 V CA -0.619 61.767 62.300 0.144 0.000 0.859 167 V CB 1.354 33.185 31.823 0.014 0.000 0.988 167 V HN 0.870 nan 8.190 nan 0.000 0.431 168 W N 4.916 126.298 121.300 0.137 0.000 3.042 168 W HA 0.468 5.126 4.660 -0.004 0.000 0.337 168 W C 0.239 176.809 176.519 0.085 0.000 1.086 168 W CA -0.715 56.689 57.345 0.097 0.000 1.236 168 W CB 1.253 30.734 29.460 0.035 0.000 1.381 168 W HN 0.785 nan 8.180 nan 0.000 0.472 169 N N 5.153 123.427 118.700 -0.711 0.000 2.727 169 N HA -0.335 4.403 4.740 -0.004 0.000 0.249 169 N C -0.007 175.312 175.510 -0.317 0.000 1.048 169 N CA 1.006 53.647 53.050 -0.682 0.000 0.714 169 N CB -0.900 36.910 38.487 -1.128 0.000 0.959 169 N HN 0.740 nan 8.380 nan 0.000 0.544 170 N N -1.398 117.192 118.700 -0.183 0.000 2.828 170 N HA -0.160 4.578 4.740 -0.004 0.000 0.248 170 N C -1.424 174.001 175.510 -0.141 0.000 1.044 170 N CA 1.684 54.655 53.050 -0.132 0.000 0.851 170 N CB -0.428 37.946 38.487 -0.188 0.000 1.136 170 N HN 0.530 nan 8.380 nan 0.000 0.572 171 D N -0.232 120.090 120.400 -0.129 0.000 2.433 171 D HA 0.481 5.119 4.640 -0.004 0.000 0.236 171 D C 0.387 176.503 176.300 -0.308 0.000 1.026 171 D CA -0.462 53.376 54.000 -0.270 0.000 0.884 171 D CB 1.355 41.941 40.800 -0.356 0.000 1.384 171 D HN -0.010 nan 8.370 nan 0.000 0.477 172 I N 1.700 121.925 120.570 -0.573 0.000 2.396 172 I HA 0.236 4.404 4.170 -0.004 0.000 0.292 172 I C -0.681 174.956 176.117 -0.799 0.000 0.999 172 I CA -0.392 60.553 61.300 -0.591 0.000 1.310 172 I CB 0.553 38.111 38.000 -0.737 0.000 1.404 172 I HN 0.165 nan 8.210 nan 0.000 0.496 173 Y N 3.986 123.873 120.300 -0.687 0.000 2.512 173 Y HA 0.637 5.185 4.550 -0.003 0.000 0.348 173 Y C -0.366 175.176 175.900 -0.597 0.000 0.990 173 Y CA -0.905 56.750 58.100 -0.742 0.000 1.033 173 Y CB 2.089 39.838 38.460 -1.186 0.000 1.259 173 Y HN 0.111 nan 8.280 nan 0.000 0.461 174 V N 2.590 122.435 119.914 -0.115 0.000 2.656 174 V HA 0.503 4.621 4.120 -0.004 0.000 0.307 174 V C -0.934 175.294 176.094 0.225 0.000 1.051 174 V CA -1.439 60.901 62.300 0.067 0.000 0.893 174 V CB 2.124 34.002 31.823 0.091 0.000 0.999 174 V HN 0.620 nan 8.190 nan 0.000 0.426 175 K N 4.135 124.685 120.400 0.250 0.000 2.413 175 K HA 0.519 4.837 4.320 -0.004 0.000 0.257 175 K C 0.221 176.966 176.600 0.242 0.000 0.946 175 K CA -0.762 55.661 56.287 0.226 0.000 0.823 175 K CB 2.098 34.685 32.500 0.144 0.000 1.109 175 K HN 0.405 nan 8.250 nan 0.000 0.427 176 I N 1.024 121.758 120.570 0.273 0.000 2.406 176 I HA -0.053 4.115 4.170 -0.004 0.000 0.249 176 I C 0.338 176.581 176.117 0.209 0.000 1.122 176 I CA 1.389 62.822 61.300 0.222 0.000 1.431 176 I CB -0.219 37.916 38.000 0.225 0.000 1.087 176 I HN 0.559 nan 8.210 nan 0.000 0.424 177 E N -0.007 120.291 120.200 0.164 0.000 2.272 177 E HA 0.279 4.627 4.350 -0.004 0.000 0.269 177 E C -1.913 174.666 176.600 -0.035 0.000 0.877 177 E CA -1.966 54.489 56.400 0.093 0.000 0.755 177 E CB 1.893 31.648 29.700 0.090 0.000 1.192 177 E HN -0.161 nan 8.360 nan 0.000 0.422 178 P HA -0.195 nan 4.420 nan 0.000 0.217 178 P C 0.839 178.062 177.300 -0.128 0.000 1.148 178 P CA 1.424 64.367 63.100 -0.261 0.000 0.834 178 P CB 0.295 31.612 31.700 -0.639 0.000 0.783 179 N N -1.398 117.253 118.700 -0.081 0.000 2.236 179 N HA 0.020 4.758 4.740 -0.004 0.000 0.196 179 N C 0.139 175.634 175.510 -0.025 0.000 1.114 179 N CA 0.161 53.193 53.050 -0.031 0.000 0.859 179 N CB -0.076 38.414 38.487 0.005 0.000 0.982 179 N HN 0.175 nan 8.380 nan 0.000 0.493 180 L N 0.619 121.829 121.223 -0.022 0.000 2.358 180 L HA 0.535 4.873 4.340 -0.004 0.000 0.268 180 L C -2.287 174.546 176.870 -0.061 0.000 1.032 180 L CA -2.293 52.533 54.840 -0.024 0.000 0.805 180 L CB 1.102 43.169 42.059 0.013 0.000 1.253 180 L HN -0.202 nan 8.230 nan 0.000 0.452 181 P HA 0.060 nan 4.420 nan 0.000 0.269 181 P C -0.892 176.259 177.300 -0.249 0.000 1.209 181 P CA -0.023 62.978 63.100 -0.164 0.000 0.776 181 P CB 0.621 32.212 31.700 -0.182 0.000 0.876 182 S N 1.410 117.013 115.700 -0.160 0.000 2.592 182 S HA 0.274 4.742 4.470 -0.004 0.000 0.271 182 S C -0.488 173.974 174.600 -0.231 0.000 1.326 182 S CA -0.031 58.117 58.200 -0.087 0.000 1.024 182 S CB -0.064 63.189 63.200 0.088 0.000 0.921 182 S HN 0.256 nan 8.310 nan 0.000 0.527 183 Y N 1.017 121.342 120.300 0.043 0.000 2.331 183 Y HA 0.404 4.952 4.550 -0.004 0.000 0.338 183 Y C 0.641 176.460 175.900 -0.135 0.000 0.976 183 Y CA -0.658 57.442 58.100 -0.001 0.000 1.137 183 Y CB 0.790 39.251 38.460 0.002 0.000 1.172 183 Y HN 0.513 nan 8.280 nan 0.000 0.478 184 R N 3.242 123.667 120.500 -0.124 0.000 2.438 184 R HA 0.250 4.588 4.340 -0.004 0.000 0.287 184 R C 0.105 176.014 176.300 -0.652 0.000 1.077 184 R CA -0.051 55.623 56.100 -0.709 0.000 1.034 184 R CB 0.411 30.121 30.300 -0.983 0.000 0.993 184 R HN 0.752 nan 8.270 nan 0.000 0.459 185 I N 1.784 121.883 120.570 -0.786 0.000 3.172 185 I HA 0.027 4.195 4.170 -0.004 0.000 0.278 185 I C 0.889 176.748 176.117 -0.429 0.000 1.174 185 I CA 0.742 61.760 61.300 -0.470 0.000 1.445 185 I CB -0.450 37.254 38.000 -0.493 0.000 1.175 185 I HN 0.678 nan 8.210 nan 0.000 0.447 186 T N -3.845 110.278 114.554 -0.717 0.000 2.907 186 T HA 0.413 4.760 4.350 -0.004 0.000 0.292 186 T C -0.165 174.233 174.700 -0.504 0.000 1.043 186 T CA -0.524 61.339 62.100 -0.394 0.000 1.003 186 T CB 2.264 70.889 68.868 -0.405 0.000 1.084 186 T HN 0.232 nan 8.240 nan 0.000 0.483 187 W N 0.435 121.619 121.300 -0.192 0.000 2.534 187 W HA 0.094 4.752 4.660 -0.003 0.000 0.339 187 W C 1.648 178.106 176.519 -0.102 0.000 0.961 187 W CA 0.104 57.371 57.345 -0.130 0.000 1.545 187 W CB 0.512 29.919 29.460 -0.090 0.000 1.104 187 W HN 0.943 nan 8.180 nan 0.000 0.538 188 T N -1.837 112.764 114.554 0.079 0.000 3.088 188 T HA 0.115 4.463 4.350 -0.004 0.000 0.259 188 T C 1.346 176.032 174.700 -0.023 0.000 1.122 188 T CA 0.441 62.561 62.100 0.033 0.000 1.095 188 T CB -0.214 68.670 68.868 0.026 0.000 0.930 188 T HN -0.025 nan 8.240 nan 0.000 0.508 189 G N 1.284 110.037 108.800 -0.078 0.000 2.187 189 G HA2 0.252 4.210 3.960 -0.004 0.000 0.239 189 G HA3 0.252 4.210 3.960 -0.004 0.000 0.239 189 G C -0.503 174.326 174.900 -0.118 0.000 1.200 189 G CA -0.270 44.759 45.100 -0.119 0.000 0.888 189 G HN 0.582 nan 8.290 nan 0.000 0.482 190 K N 2.027 122.334 120.400 -0.155 0.000 2.651 190 K HA 0.124 4.442 4.320 -0.004 0.000 0.259 190 K C -0.121 176.346 176.600 -0.222 0.000 1.017 190 K CA -0.628 55.569 56.287 -0.149 0.000 0.897 190 K CB 1.275 33.723 32.500 -0.088 0.000 1.262 190 K HN 0.700 nan 8.250 nan 0.000 0.460 191 E N 3.460 123.538 120.200 -0.203 0.000 2.900 191 E HA -0.191 4.157 4.350 -0.004 0.000 0.259 191 E C -0.517 175.973 176.600 -0.182 0.000 0.918 191 E CA 1.176 57.456 56.400 -0.200 0.000 0.960 191 E CB 0.223 29.846 29.700 -0.129 0.000 0.908 191 E HN 0.629 nan 8.360 nan 0.000 0.511 192 D N 2.535 122.800 120.400 -0.226 0.000 3.067 192 D HA -0.243 4.395 4.640 -0.004 0.000 0.216 192 D C 0.575 176.852 176.300 -0.039 0.000 1.162 192 D CA 1.381 55.358 54.000 -0.038 0.000 0.960 192 D CB -0.491 40.350 40.800 0.068 0.000 1.129 192 D HN 0.428 nan 8.370 nan 0.000 0.408 193 I N -1.111 119.338 120.570 -0.202 0.000 3.623 193 I HA 0.091 4.259 4.170 -0.004 0.000 0.253 193 I C 0.740 176.852 176.117 -0.008 0.000 1.144 193 I CA 0.365 61.644 61.300 -0.035 0.000 1.461 193 I CB 0.173 38.160 38.000 -0.022 0.000 1.575 193 I HN -0.138 nan 8.210 nan 0.000 0.445 194 I N 1.850 122.343 120.570 -0.128 0.000 2.389 194 I HA 0.265 4.433 4.170 -0.004 0.000 0.288 194 I C -1.226 174.827 176.117 -0.107 0.000 0.999 194 I CA -0.620 60.678 61.300 -0.004 0.000 1.129 194 I CB 0.791 38.796 38.000 0.009 0.000 1.288 194 I HN 0.042 nan 8.210 nan 0.000 0.444 195 Y N 4.749 125.134 120.300 0.142 0.000 2.356 195 Y HA 0.392 4.940 4.550 -0.004 0.000 0.334 195 Y C 0.463 176.412 175.900 0.082 0.000 0.958 195 Y CA -0.677 57.505 58.100 0.136 0.000 1.196 195 Y CB 0.957 39.575 38.460 0.264 0.000 1.137 195 Y HN 0.415 nan 8.280 nan 0.000 0.485 196 N N 2.168 120.917 118.700 0.081 0.000 2.424 196 N HA 0.323 5.061 4.740 -0.004 0.000 0.271 196 N C 0.873 176.299 175.510 -0.140 0.000 0.985 196 N CA 0.488 53.507 53.050 -0.051 0.000 0.921 196 N CB 1.873 40.233 38.487 -0.211 0.000 1.149 196 N HN 0.983 nan 8.380 nan 0.000 0.492 197 G N 1.588 110.312 108.800 -0.127 0.000 2.184 197 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.264 197 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.264 197 G C 0.142 174.868 174.900 -0.290 0.000 0.975 197 G CA 0.874 45.829 45.100 -0.243 0.000 0.642 197 G HN 0.676 nan 8.290 nan 0.000 0.536 198 I N -2.105 118.370 120.570 -0.157 0.000 2.969 198 I HA 0.801 4.969 4.170 -0.004 0.000 0.307 198 I C 0.272 176.397 176.117 0.013 0.000 1.149 198 I CA -0.665 60.451 61.300 -0.307 0.000 1.008 198 I CB 1.998 39.668 38.000 -0.549 0.000 1.232 198 I HN 0.172 nan 8.210 nan 0.000 0.435 199 T N -0.365 114.131 114.554 -0.096 0.000 2.899 199 T HA 0.366 4.714 4.350 -0.004 0.000 0.284 199 T C -0.156 174.316 174.700 -0.380 0.000 1.004 199 T CA -0.638 61.311 62.100 -0.251 0.000 1.043 199 T CB 1.247 70.038 68.868 -0.129 0.000 1.013 199 T HN 0.767 nan 8.240 nan 0.000 0.518 200 D N 0.320 120.254 120.400 -0.777 0.000 2.478 200 D HA 0.028 4.666 4.640 -0.004 0.000 0.269 200 D C 0.959 177.161 176.300 -0.163 0.000 1.232 200 D CA -1.077 52.430 54.000 -0.821 0.000 1.059 200 D CB 0.154 40.513 40.800 -0.735 0.000 1.104 200 D HN 0.712 nan 8.370 nan 0.000 0.566 201 W N 0.226 121.468 121.300 -0.096 0.000 2.333 201 W HA -0.219 4.439 4.660 -0.004 0.000 0.316 201 W C 2.157 178.575 176.519 -0.168 0.000 1.215 201 W CA 2.306 59.598 57.345 -0.089 0.000 1.278 201 W CB -0.476 28.873 29.460 -0.186 0.000 1.154 201 W HN 0.189 nan 8.180 nan 0.000 0.486 202 V N -0.122 119.858 119.914 0.110 0.000 2.515 202 V HA -0.276 3.841 4.120 -0.004 0.000 0.250 202 V C 1.786 177.684 176.094 -0.326 0.000 1.058 202 V CA 1.906 64.140 62.300 -0.110 0.000 1.064 202 V CB -0.698 31.081 31.823 -0.073 0.000 0.675 202 V HN 0.312 nan 8.190 nan 0.000 0.461 203 Y N 0.453 120.557 120.300 -0.326 0.000 2.337 203 Y HA -0.110 4.438 4.550 -0.004 0.000 0.293 203 Y C 2.566 178.344 175.900 -0.202 0.000 1.123 203 Y CA 1.967 59.877 58.100 -0.316 0.000 1.201 203 Y CB 0.056 38.179 38.460 -0.563 0.000 1.011 203 Y HN 0.368 nan 8.280 nan 0.000 0.545 204 E N 0.326 120.468 120.200 -0.096 0.000 2.047 204 E HA -0.269 4.078 4.350 -0.004 0.000 0.191 204 E C 1.995 178.528 176.600 -0.111 0.000 0.987 204 E CA 1.469 57.845 56.400 -0.039 0.000 0.799 204 E CB 0.034 29.721 29.700 -0.022 0.000 0.752 204 E HN 0.378 nan 8.360 nan 0.000 0.449 205 E N 0.544 120.483 120.200 -0.434 0.000 2.028 205 E HA -0.158 4.190 4.350 -0.004 0.000 0.190 205 E C 1.656 178.119 176.600 -0.228 0.000 0.984 205 E CA 1.624 57.761 56.400 -0.439 0.000 0.800 205 E CB 0.086 29.158 29.700 -1.048 0.000 0.758 205 E HN 0.229 nan 8.360 nan 0.000 0.448 206 E N -0.670 119.369 120.200 -0.268 0.000 2.452 206 E HA 0.084 4.432 4.350 -0.004 0.000 0.197 206 E C 1.601 178.053 176.600 -0.245 0.000 1.022 206 E CA 0.334 56.628 56.400 -0.175 0.000 0.890 206 E CB 1.099 30.701 29.700 -0.163 0.000 0.918 206 E HN 0.218 nan 8.360 nan 0.000 0.496 207 V N -0.760 118.964 119.914 -0.317 0.000 2.950 207 V HA 0.071 4.189 4.120 -0.004 0.000 0.231 207 V C 1.266 177.113 176.094 -0.413 0.000 1.205 207 V CA 0.506 62.533 62.300 -0.455 0.000 1.239 207 V CB -0.210 31.197 31.823 -0.693 0.000 1.050 207 V HN 0.012 nan 8.190 nan 0.000 0.498 208 F N 0.681 120.646 119.950 0.024 0.000 2.727 208 F HA 0.332 4.857 4.527 -0.004 0.000 0.302 208 F C 1.579 177.351 175.800 -0.047 0.000 1.097 208 F CA 0.132 58.161 58.000 0.049 0.000 1.330 208 F CB -0.206 38.869 39.000 0.125 0.000 1.084 208 F HN 0.058 nan 8.300 nan 0.000 0.578 209 S N 0.497 116.223 115.700 0.042 0.000 3.477 209 S HA -0.055 4.413 4.470 -0.004 0.000 0.357 209 S C 0.185 174.430 174.600 -0.592 0.000 1.083 209 S CA 0.517 58.648 58.200 -0.115 0.000 1.042 209 S CB -1.567 61.603 63.200 -0.051 0.000 0.911 209 S HN 0.636 nan 8.310 nan 0.000 0.490 210 A N -0.809 121.862 122.820 -0.250 0.000 2.586 210 A HA 0.727 5.045 4.320 -0.004 0.000 0.290 210 A C -0.321 177.234 177.584 -0.049 0.000 1.086 210 A CA -0.432 51.440 52.037 -0.274 0.000 0.665 210 A CB 0.266 19.126 19.000 -0.234 0.000 1.279 210 A HN 0.299 nan 8.150 nan 0.000 0.423 211 Y N 1.327 121.437 120.300 -0.318 0.000 2.436 211 Y HA 0.194 4.742 4.550 -0.004 0.000 0.288 211 Y C 1.555 177.133 175.900 -0.536 0.000 1.112 211 Y CA 0.776 58.690 58.100 -0.311 0.000 1.220 211 Y CB -0.052 38.265 38.460 -0.238 0.000 1.073 211 Y HN 0.781 nan 8.280 nan 0.000 0.552 212 S N 0.773 115.886 115.700 -0.979 0.000 2.564 212 S HA 0.528 4.996 4.470 -0.004 0.000 0.278 212 S C 0.222 174.271 174.600 -0.918 0.000 1.333 212 S CA -0.100 57.346 58.200 -1.257 0.000 1.048 212 S CB 1.375 63.418 63.200 -1.929 0.000 0.900 212 S HN 0.459 nan 8.310 nan 0.000 0.505 213 A N 2.693 124.990 122.820 -0.872 0.000 2.959 213 A HA 0.551 4.869 4.320 -0.004 0.000 0.280 213 A C -0.539 176.363 177.584 -1.136 0.000 0.953 213 A CA -0.724 50.740 52.037 -0.955 0.000 1.047 213 A CB -0.648 18.223 19.000 -0.215 0.000 1.147 213 A HN 1.174 nan 8.150 nan 0.000 0.489 214 L N -4.846 115.527 121.223 -1.416 0.000 2.434 214 L HA 0.905 5.243 4.340 -0.004 0.000 0.260 214 L C -1.387 174.972 176.870 -0.851 0.000 0.983 214 L CA -1.215 53.141 54.840 -0.807 0.000 0.820 214 L CB 1.091 42.892 42.059 -0.430 0.000 1.361 214 L HN 0.225 nan 8.230 nan 0.000 0.410 215 W N 1.705 123.034 121.300 0.048 0.000 2.687 215 W HA 0.328 4.986 4.660 -0.003 0.000 0.328 215 W C -1.529 175.206 176.519 0.359 0.000 1.012 215 W CA -0.739 56.752 57.345 0.243 0.000 1.262 215 W CB 1.606 31.261 29.460 0.324 0.000 1.331 215 W HN 0.620 nan 8.180 nan 0.000 0.433 216 W N 2.566 124.074 121.300 0.347 0.000 2.190 216 W HA 0.225 4.883 4.660 -0.004 0.000 0.330 216 W C 1.309 177.697 176.519 -0.217 0.000 1.299 216 W CA 0.282 57.704 57.345 0.127 0.000 1.215 216 W CB 0.876 30.380 29.460 0.073 0.000 1.147 216 W HN 0.189 nan 8.180 nan 0.000 0.563 217 S N 2.866 118.349 115.700 -0.363 0.000 2.593 217 S HA 0.164 4.632 4.470 -0.004 0.000 0.269 217 S C -1.716 172.613 174.600 -0.452 0.000 1.334 217 S CA -0.996 56.383 58.200 -1.369 0.000 1.015 217 S CB 1.033 63.449 63.200 -1.307 0.000 0.912 217 S HN 0.299 nan 8.310 nan 0.000 0.541 218 P HA -0.198 nan 4.420 nan 0.000 0.217 218 P C 0.889 178.145 177.300 -0.073 0.000 1.158 218 P CA 1.867 64.916 63.100 -0.085 0.000 0.887 218 P CB -0.232 31.464 31.700 -0.006 0.000 0.792 219 N N -2.103 116.542 118.700 -0.091 0.000 2.270 219 N HA 0.134 4.872 4.740 -0.004 0.000 0.198 219 N C 1.088 176.518 175.510 -0.133 0.000 1.117 219 N CA 0.526 53.522 53.050 -0.089 0.000 0.845 219 N CB -0.712 37.739 38.487 -0.061 0.000 0.980 219 N HN 0.221 nan 8.380 nan 0.000 0.486 220 G N -1.055 107.668 108.800 -0.128 0.000 2.179 220 G HA2 -0.343 3.615 3.960 -0.004 0.000 0.260 220 G HA3 -0.343 3.615 3.960 -0.004 0.000 0.260 220 G C 0.992 175.914 174.900 0.037 0.000 0.977 220 G CA 0.749 45.776 45.100 -0.121 0.000 0.641 220 G HN 0.376 nan 8.290 nan 0.000 0.533 221 T N 0.045 114.551 114.554 -0.080 0.000 2.737 221 T HA 0.196 4.543 4.350 -0.004 0.000 0.265 221 T C 0.897 175.466 174.700 -0.218 0.000 1.038 221 T CA 1.334 63.298 62.100 -0.226 0.000 1.144 221 T CB -0.105 68.476 68.868 -0.478 0.000 0.866 221 T HN 0.296 nan 8.240 nan 0.000 0.434 222 F N 0.209 120.190 119.950 0.051 0.000 2.432 222 F HA 0.629 5.153 4.527 -0.004 0.000 0.329 222 F C -0.173 175.703 175.800 0.127 0.000 1.076 222 F CA -1.601 56.462 58.000 0.104 0.000 1.018 222 F CB 1.030 40.139 39.000 0.183 0.000 1.201 222 F HN -0.106 nan 8.300 nan 0.000 0.489 223 L N 2.399 123.789 121.223 0.278 0.000 2.372 223 L HA 0.802 5.140 4.340 -0.004 0.000 0.274 223 L C -0.726 176.241 176.870 0.162 0.000 0.988 223 L CA -0.513 54.316 54.840 -0.018 0.000 0.833 223 L CB 0.821 42.612 42.059 -0.447 0.000 1.236 223 L HN 0.662 nan 8.230 nan 0.000 0.410 224 A N 4.547 127.532 122.820 0.275 0.000 2.306 224 A HA 0.858 5.176 4.320 -0.004 0.000 0.330 224 A C -1.427 176.230 177.584 0.121 0.000 1.146 224 A CA -0.220 51.843 52.037 0.044 0.000 0.827 224 A CB 0.776 19.870 19.000 0.157 0.000 1.178 224 A HN 0.967 nan 8.150 nan 0.000 0.490 225 Y N -2.410 117.678 120.300 -0.353 0.000 2.677 225 Y HA 0.715 5.263 4.550 -0.003 0.000 0.334 225 Y C -0.448 175.344 175.900 -0.180 0.000 1.196 225 Y CA -0.846 57.165 58.100 -0.148 0.000 1.059 225 Y CB 0.705 39.026 38.460 -0.232 0.000 1.315 225 Y HN 0.992 nan 8.280 nan 0.000 0.455 226 A N 1.948 124.875 122.820 0.177 0.000 2.320 226 A HA 0.716 5.034 4.320 -0.004 0.000 0.334 226 A C -1.198 176.276 177.584 -0.184 0.000 1.147 226 A CA -0.823 51.170 52.037 -0.073 0.000 0.820 226 A CB 1.772 20.648 19.000 -0.207 0.000 1.218 226 A HN 0.805 nan 8.150 nan 0.000 0.482 227 Q N 1.163 120.772 119.800 -0.318 0.000 2.292 227 Q HA 0.588 4.925 4.340 -0.004 0.000 0.270 227 Q C -2.102 173.699 176.000 -0.332 0.000 1.024 227 Q CA -0.346 55.377 55.803 -0.134 0.000 0.768 227 Q CB 1.037 29.916 28.738 0.234 0.000 1.250 227 Q HN 0.593 nan 8.270 nan 0.000 0.447 228 F N 2.296 122.354 119.950 0.180 0.000 2.443 228 F HA 0.436 4.961 4.527 -0.004 0.000 0.335 228 F C 0.443 176.408 175.800 0.274 0.000 1.104 228 F CA -0.886 57.214 58.000 0.167 0.000 1.013 228 F CB 1.412 40.442 39.000 0.051 0.000 1.136 228 F HN 0.433 nan 8.300 nan 0.000 0.470 229 N N 1.884 120.822 118.700 0.397 0.000 2.443 229 N HA 0.235 4.972 4.740 -0.004 0.000 0.269 229 N C -1.046 174.647 175.510 0.306 0.000 0.985 229 N CA -0.331 52.901 53.050 0.302 0.000 0.921 229 N CB 1.215 39.826 38.487 0.206 0.000 1.195 229 N HN 0.575 nan 8.380 nan 0.000 0.492 230 D N 1.455 122.045 120.400 0.317 0.000 2.462 230 D HA 0.140 4.778 4.640 -0.004 0.000 0.221 230 D C 1.170 177.585 176.300 0.192 0.000 1.173 230 D CA 0.049 54.217 54.000 0.281 0.000 0.831 230 D CB 0.603 41.631 40.800 0.381 0.000 1.001 230 D HN 0.465 nan 8.370 nan 0.000 0.499 231 T N 0.328 114.974 114.554 0.154 0.000 2.680 231 T HA -0.231 4.117 4.350 -0.004 0.000 0.268 231 T C 1.364 176.119 174.700 0.091 0.000 1.033 231 T CA 1.377 63.540 62.100 0.105 0.000 1.152 231 T CB -0.052 68.867 68.868 0.086 0.000 0.859 231 T HN 0.311 nan 8.240 nan 0.000 0.452 232 E N 0.213 120.471 120.200 0.096 0.000 2.476 232 E HA 0.175 4.523 4.350 -0.004 0.000 0.196 232 E C -0.441 176.210 176.600 0.085 0.000 1.029 232 E CA -0.244 56.203 56.400 0.078 0.000 0.896 232 E CB 0.594 30.333 29.700 0.066 0.000 1.012 232 E HN 0.209 nan 8.360 nan 0.000 0.475 233 V N 3.524 123.504 119.914 0.109 0.000 2.508 233 V HA 0.099 4.217 4.120 -0.004 0.000 0.281 233 V C -2.008 174.145 176.094 0.098 0.000 1.041 233 V CA -1.487 60.881 62.300 0.114 0.000 1.016 233 V CB 0.449 32.362 31.823 0.150 0.000 0.984 233 V HN 0.044 nan 8.190 nan 0.000 0.478 234 P HA 0.247 nan 4.420 nan 0.000 0.270 234 P C -0.783 176.555 177.300 0.063 0.000 1.223 234 P CA -0.192 62.945 63.100 0.062 0.000 0.785 234 P CB 0.504 32.239 31.700 0.058 0.000 0.923 235 L N 2.110 123.345 121.223 0.021 0.000 2.317 235 L HA 0.467 4.805 4.340 -0.004 0.000 0.281 235 L C 0.193 177.007 176.870 -0.094 0.000 1.024 235 L CA -0.943 53.890 54.840 -0.012 0.000 0.810 235 L CB 1.207 43.255 42.059 -0.020 0.000 1.240 235 L HN 0.283 nan 8.230 nan 0.000 0.427 236 I N 2.253 122.715 120.570 -0.180 0.000 2.440 236 I HA 0.296 4.464 4.170 -0.004 0.000 0.294 236 I C -0.433 175.523 176.117 -0.269 0.000 0.995 236 I CA 0.121 61.207 61.300 -0.357 0.000 1.306 236 I CB 0.934 38.454 38.000 -0.800 0.000 1.407 236 I HN 0.584 nan 8.210 nan 0.000 0.501 237 E N 7.172 127.232 120.200 -0.232 0.000 2.256 237 E HA 0.516 4.863 4.350 -0.004 0.000 0.268 237 E C -1.829 174.688 176.600 -0.138 0.000 0.877 237 E CA -0.569 55.694 56.400 -0.228 0.000 0.757 237 E CB 2.099 31.701 29.700 -0.165 0.000 1.183 237 E HN 0.562 nan 8.360 nan 0.000 0.418 238 Y N -1.634 118.572 120.300 -0.157 0.000 2.609 238 Y HA 0.563 5.111 4.550 -0.004 0.000 0.336 238 Y C -0.702 175.119 175.900 -0.132 0.000 1.129 238 Y CA -1.242 56.770 58.100 -0.147 0.000 1.040 238 Y CB 0.873 39.251 38.460 -0.138 0.000 1.310 238 Y HN 0.209 nan 8.280 nan 0.000 0.460 239 S N 1.870 117.547 115.700 -0.039 0.000 2.584 239 S HA 0.490 4.958 4.470 -0.004 0.000 0.273 239 S C -1.422 173.034 174.600 -0.239 0.000 1.311 239 S CA -0.354 57.684 58.200 -0.270 0.000 1.034 239 S CB 0.510 63.388 63.200 -0.537 0.000 0.939 239 S HN 0.540 nan 8.310 nan 0.000 0.513 240 F N 2.141 121.829 119.950 -0.437 0.000 2.539 240 F HA 0.426 4.951 4.527 -0.004 0.000 0.328 240 F C -0.361 175.216 175.800 -0.373 0.000 1.148 240 F CA -0.929 56.918 58.000 -0.255 0.000 0.940 240 F CB 0.761 39.730 39.000 -0.052 0.000 1.194 240 F HN 0.645 nan 8.300 nan 0.000 0.438 241 Y N 2.800 122.879 120.300 -0.369 0.000 2.420 241 Y HA 0.115 4.663 4.550 -0.004 0.000 0.292 241 Y C 1.745 177.562 175.900 -0.139 0.000 1.119 241 Y CA 1.077 59.058 58.100 -0.198 0.000 1.229 241 Y CB -0.589 37.752 38.460 -0.200 0.000 1.026 241 Y HN 0.737 nan 8.280 nan 0.000 0.554 242 S N -0.296 115.288 115.700 -0.194 0.000 3.443 242 S HA -0.262 4.206 4.470 -0.004 0.000 0.635 242 S C -0.177 174.468 174.600 0.076 0.000 2.555 242 S CA 0.222 58.480 58.200 0.097 0.000 2.778 242 S CB -1.273 62.096 63.200 0.282 0.000 0.331 242 S HN 0.505 nan 8.310 nan 0.000 1.765 243 D N 1.296 121.763 120.400 0.112 0.000 2.390 243 D HA 0.068 4.706 4.640 -0.004 0.000 0.236 243 D C 1.410 177.745 176.300 0.057 0.000 1.189 243 D CA 0.657 54.702 54.000 0.076 0.000 0.887 243 D CB 0.440 41.286 40.800 0.078 0.000 1.198 243 D HN 0.603 nan 8.370 nan 0.000 0.444 244 E N 0.499 120.721 120.200 0.036 0.000 2.209 244 E HA -0.198 4.150 4.350 -0.004 0.000 0.196 244 E C 1.631 178.246 176.600 0.025 0.000 0.993 244 E CA 1.079 57.492 56.400 0.021 0.000 0.819 244 E CB 0.156 29.861 29.700 0.009 0.000 0.745 244 E HN 0.427 nan 8.360 nan 0.000 0.477 245 S N 0.197 115.918 115.700 0.035 0.000 2.474 245 S HA -0.122 4.345 4.470 -0.004 0.000 0.235 245 S C 0.911 175.538 174.600 0.045 0.000 0.997 245 S CA -0.037 58.184 58.200 0.035 0.000 0.949 245 S CB -0.186 63.037 63.200 0.038 0.000 0.766 245 S HN 0.212 nan 8.310 nan 0.000 0.517 246 L N 2.518 123.776 121.223 0.059 0.000 2.433 246 L HA 0.278 4.615 4.340 -0.004 0.000 0.275 246 L C 1.403 178.309 176.870 0.060 0.000 1.128 246 L CA 0.114 55.000 54.840 0.076 0.000 0.875 246 L CB 0.630 42.750 42.059 0.100 0.000 1.171 246 L HN 0.259 nan 8.230 nan 0.000 0.463 247 Q N 3.967 123.807 119.800 0.067 0.000 2.046 247 Q HA -0.093 4.245 4.340 -0.004 0.000 0.200 247 Q C -0.461 175.474 176.000 -0.109 0.000 0.975 247 Q CA 1.384 57.180 55.803 -0.011 0.000 0.836 247 Q CB 0.083 28.838 28.738 0.029 0.000 0.896 247 Q HN 0.677 nan 8.270 nan 0.000 0.428 248 Y N 0.699 121.012 120.300 0.022 0.000 2.341 248 Y HA 0.374 4.922 4.550 -0.004 0.000 0.337 248 Y C -1.985 173.924 175.900 0.016 0.000 1.014 248 Y CA -2.840 55.270 58.100 0.016 0.000 1.111 248 Y CB 1.286 39.747 38.460 0.002 0.000 1.194 248 Y HN 0.180 nan 8.280 nan 0.000 0.462 249 P HA 0.016 nan 4.420 nan 0.000 0.268 249 P C -0.905 176.404 177.300 0.015 0.000 1.208 249 P CA -0.438 62.679 63.100 0.028 0.000 0.777 249 P CB 0.637 32.305 31.700 -0.053 0.000 0.875 250 K N 0.925 121.315 120.400 -0.017 0.000 2.130 250 K HA 0.369 4.686 4.320 -0.004 0.000 0.268 250 K C -0.810 175.745 176.600 -0.074 0.000 0.983 250 K CA -0.365 55.918 56.287 -0.006 0.000 0.893 250 K CB 0.619 33.153 32.500 0.056 0.000 1.066 250 K HN 0.298 nan 8.250 nan 0.000 0.450 251 T N 3.236 117.733 114.554 -0.097 0.000 2.753 251 T HA 0.204 4.552 4.350 -0.004 0.000 0.297 251 T C -0.589 173.983 174.700 -0.213 0.000 0.981 251 T CA -0.581 61.423 62.100 -0.159 0.000 0.956 251 T CB 0.875 69.664 68.868 -0.132 0.000 0.936 251 T HN 0.305 nan 8.240 nan 0.000 0.463 252 V N 5.912 125.605 119.914 -0.368 0.000 2.488 252 V HA 0.358 4.476 4.120 -0.004 0.000 0.277 252 V C 0.496 176.316 176.094 -0.457 0.000 1.046 252 V CA -0.305 61.730 62.300 -0.443 0.000 0.986 252 V CB 0.539 31.959 31.823 -0.672 0.000 0.989 252 V HN 0.702 nan 8.190 nan 0.000 0.475 253 R N 3.678 124.043 120.500 -0.225 0.000 2.439 253 R HA 0.741 5.079 4.340 -0.004 0.000 0.310 253 R C -1.309 174.973 176.300 -0.030 0.000 0.955 253 R CA -0.566 55.445 56.100 -0.149 0.000 0.853 253 R CB 2.298 32.541 30.300 -0.095 0.000 1.171 253 R HN 0.518 nan 8.270 nan 0.000 0.449 254 V N 3.489 123.388 119.914 -0.024 0.000 2.733 254 V HA 0.483 4.601 4.120 -0.004 0.000 0.306 254 V C -2.715 173.436 176.094 0.096 0.000 1.084 254 V CA -2.678 59.681 62.300 0.099 0.000 0.905 254 V CB 2.583 34.495 31.823 0.149 0.000 1.010 254 V HN 0.527 nan 8.190 nan 0.000 0.424 255 P HA 0.200 nan 4.420 nan 0.000 0.261 255 P C -1.779 175.644 177.300 0.205 0.000 1.203 255 P CA 0.661 63.879 63.100 0.197 0.000 0.767 255 P CB -0.309 31.558 31.700 0.278 0.000 0.785 256 Y N 6.429 126.719 120.300 -0.017 0.000 2.298 256 Y HA 0.365 4.912 4.550 -0.004 0.000 0.322 256 Y C -2.782 173.099 175.900 -0.033 0.000 1.138 256 Y CA -2.763 55.282 58.100 -0.092 0.000 1.127 256 Y CB 1.806 40.077 38.460 -0.315 0.000 1.178 256 Y HN 0.279 nan 8.280 nan 0.000 0.428 257 P HA 0.270 nan 4.420 nan 0.000 0.291 257 P C -0.862 176.485 177.300 0.078 0.000 1.340 257 P CA -0.233 62.906 63.100 0.065 0.000 0.799 257 P CB 1.469 33.194 31.700 0.043 0.000 0.917 258 K N 2.055 122.583 120.400 0.215 0.000 2.118 258 K HA 0.474 4.792 4.320 -0.004 0.000 0.240 258 K C 0.646 177.345 176.600 0.165 0.000 1.035 258 K CA -0.642 55.790 56.287 0.242 0.000 0.899 258 K CB 0.387 33.042 32.500 0.258 0.000 1.085 258 K HN 0.456 nan 8.250 nan 0.000 0.498 259 A N 0.565 123.507 122.820 0.204 0.000 2.566 259 A HA 0.304 4.622 4.320 -0.004 0.000 0.245 259 A C 1.140 178.759 177.584 0.058 0.000 1.056 259 A CA 0.888 53.031 52.037 0.177 0.000 0.757 259 A CB -1.143 18.044 19.000 0.311 0.000 0.979 259 A HN 0.879 nan 8.150 nan 0.000 0.508 260 G N 0.810 109.636 108.800 0.043 0.000 2.184 260 G HA2 0.108 4.066 3.960 -0.004 0.000 0.264 260 G HA3 0.108 4.066 3.960 -0.004 0.000 0.264 260 G C 0.612 175.523 174.900 0.018 0.000 0.975 260 G CA 0.759 45.857 45.100 -0.003 0.000 0.642 260 G HN 2.147 nan 8.290 nan 0.000 0.536 261 A N -0.548 122.300 122.820 0.047 0.000 2.246 261 A HA 0.779 5.097 4.320 -0.004 0.000 0.291 261 A C 0.767 178.383 177.584 0.053 0.000 1.103 261 A CA 0.166 52.235 52.037 0.052 0.000 0.844 261 A CB 0.930 19.975 19.000 0.075 0.000 1.136 261 A HN 1.136 nan 8.150 nan 0.000 0.500 262 V N 2.783 122.730 119.914 0.054 0.000 2.493 262 V HA 0.003 4.120 4.120 -0.004 0.000 0.292 262 V C 0.313 176.454 176.094 0.078 0.000 1.016 262 V CA -0.025 62.309 62.300 0.056 0.000 1.097 262 V CB -0.543 31.314 31.823 0.057 0.000 0.947 262 V HN 0.790 nan 8.190 nan 0.000 0.479 263 N N 6.816 125.563 118.700 0.077 0.000 2.434 263 N HA 0.453 5.191 4.740 -0.004 0.000 0.266 263 N C -2.316 173.283 175.510 0.149 0.000 1.223 263 N CA -1.423 51.696 53.050 0.116 0.000 0.972 263 N CB 0.918 39.474 38.487 0.115 0.000 1.207 263 N HN 0.387 nan 8.380 nan 0.000 0.525 264 P HA 0.117 nan 4.420 nan 0.000 0.274 264 P C -0.455 177.018 177.300 0.287 0.000 1.231 264 P CA -0.181 63.089 63.100 0.283 0.000 0.790 264 P CB 0.530 32.452 31.700 0.370 0.000 0.951 265 T N -1.467 113.235 114.554 0.247 0.000 2.952 265 T HA 0.606 4.954 4.350 -0.004 0.000 0.286 265 T C -0.274 174.577 174.700 0.252 0.000 1.024 265 T CA -0.805 61.400 62.100 0.175 0.000 1.029 265 T CB 1.487 70.418 68.868 0.105 0.000 1.094 265 T HN 0.341 nan 8.240 nan 0.000 0.515 266 V N 0.231 120.269 119.914 0.206 0.000 3.078 266 V HA 0.819 4.937 4.120 -0.004 0.000 0.311 266 V C -1.660 174.523 176.094 0.149 0.000 1.138 266 V CA -0.907 61.482 62.300 0.147 0.000 1.007 266 V CB 2.176 34.123 31.823 0.206 0.000 1.045 266 V HN 1.103 nan 8.190 nan 0.000 0.432 267 K N 3.602 124.022 120.400 0.034 0.000 2.508 267 K HA 0.558 4.876 4.320 -0.004 0.000 0.260 267 K C -2.030 174.498 176.600 -0.120 0.000 0.949 267 K CA -0.433 55.838 56.287 -0.027 0.000 0.834 267 K CB 2.766 35.211 32.500 -0.091 0.000 1.365 267 K HN 0.549 nan 8.250 nan 0.000 0.437 268 F N 2.189 121.851 119.950 -0.479 0.000 2.520 268 F HA 0.620 5.145 4.527 -0.004 0.000 0.322 268 F C -1.497 173.799 175.800 -0.840 0.000 1.103 268 F CA -0.654 57.054 58.000 -0.486 0.000 0.926 268 F CB 0.905 39.725 39.000 -0.300 0.000 1.154 268 F HN 0.403 nan 8.300 nan 0.000 0.453 269 F N 3.478 122.658 119.950 -1.283 0.000 2.629 269 F HA 0.773 5.298 4.527 -0.004 0.000 0.316 269 F C -1.041 174.038 175.800 -1.202 0.000 1.081 269 F CA -1.252 56.111 58.000 -1.063 0.000 0.954 269 F CB 2.002 40.356 39.000 -1.078 0.000 1.337 269 F HN 0.156 nan 8.300 nan 0.000 0.474 270 V N 2.102 121.746 119.914 -0.449 0.000 2.686 270 V HA 0.640 4.758 4.120 -0.004 0.000 0.306 270 V C -1.225 174.910 176.094 0.069 0.000 1.065 270 V CA -0.819 61.302 62.300 -0.298 0.000 0.894 270 V CB 1.896 33.355 31.823 -0.608 0.000 1.004 270 V HN 0.642 nan 8.190 nan 0.000 0.424 271 V N 4.096 124.132 119.914 0.203 0.000 2.680 271 V HA 0.539 4.657 4.120 -0.004 0.000 0.309 271 V C -0.126 176.175 176.094 0.345 0.000 1.052 271 V CA -0.617 61.839 62.300 0.261 0.000 0.908 271 V CB 1.998 33.928 31.823 0.180 0.000 1.001 271 V HN 1.015 nan 8.190 nan 0.000 0.431 272 N N 3.269 122.151 118.700 0.303 0.000 2.439 272 N HA 0.133 4.871 4.740 -0.004 0.000 0.243 272 N C 1.294 176.803 175.510 -0.001 0.000 1.088 272 N CA 0.364 53.485 53.050 0.119 0.000 0.940 272 N CB 1.083 39.607 38.487 0.061 0.000 1.180 272 N HN 0.908 nan 8.380 nan 0.000 0.505 273 T N 0.247 114.798 114.554 -0.006 0.000 2.962 273 T HA -0.109 4.239 4.350 -0.004 0.000 0.270 273 T C 1.035 175.691 174.700 -0.073 0.000 1.088 273 T CA 0.905 63.000 62.100 -0.008 0.000 1.127 273 T CB -0.014 68.942 68.868 0.146 0.000 0.883 273 T HN 0.361 nan 8.240 nan 0.000 0.493 274 D N 1.786 122.121 120.400 -0.109 0.000 2.310 274 D HA -0.031 4.606 4.640 -0.004 0.000 0.212 274 D C 2.172 178.408 176.300 -0.106 0.000 0.965 274 D CA 1.294 55.225 54.000 -0.114 0.000 0.879 274 D CB -0.151 40.559 40.800 -0.150 0.000 0.921 274 D HN 0.709 nan 8.370 nan 0.000 0.510 275 S N -0.934 114.704 115.700 -0.103 0.000 2.556 275 S HA 0.111 4.579 4.470 -0.004 0.000 0.216 275 S C 1.975 176.494 174.600 -0.134 0.000 0.970 275 S CA -0.292 57.860 58.200 -0.080 0.000 0.912 275 S CB -0.121 63.063 63.200 -0.026 0.000 0.790 275 S HN 0.148 nan 8.310 nan 0.000 0.504 276 L N 2.396 123.467 121.223 -0.252 0.000 2.081 276 L HA -0.114 4.224 4.340 -0.004 0.000 0.212 276 L C 2.725 179.258 176.870 -0.563 0.000 1.080 276 L CA 1.657 56.190 54.840 -0.513 0.000 0.754 276 L CB -0.737 40.765 42.059 -0.929 0.000 0.893 276 L HN 0.595 nan 8.230 nan 0.000 0.433 277 S N -3.024 112.459 115.700 -0.362 0.000 2.593 277 S HA 0.052 4.520 4.470 -0.004 0.000 0.217 277 S C 1.533 176.140 174.600 0.012 0.000 0.966 277 S CA 0.377 58.533 58.200 -0.074 0.000 0.914 277 S CB 0.381 63.601 63.200 0.033 0.000 0.776 277 S HN 0.239 nan 8.310 nan 0.000 0.523 278 S N 0.627 116.314 115.700 -0.023 0.000 2.526 278 S HA 0.358 4.825 4.470 -0.004 0.000 0.220 278 S C 0.373 174.988 174.600 0.024 0.000 1.017 278 S CA 0.069 58.275 58.200 0.011 0.000 0.930 278 S CB 0.819 64.020 63.200 0.002 0.000 0.856 278 S HN 0.639 nan 8.310 nan 0.000 0.497 279 V N 0.009 119.936 119.914 0.021 0.000 2.876 279 V HA 0.585 4.703 4.120 -0.004 0.000 0.312 279 V C 1.167 177.302 176.094 0.068 0.000 1.085 279 V CA -0.383 61.941 62.300 0.039 0.000 0.945 279 V CB 1.118 32.961 31.823 0.033 0.000 1.017 279 V HN 0.230 nan 8.190 nan 0.000 0.428 280 T N -0.970 113.627 114.554 0.072 0.000 2.821 280 T HA -0.037 4.311 4.350 -0.004 0.000 0.267 280 T C 0.778 175.552 174.700 0.123 0.000 1.046 280 T CA 1.764 63.923 62.100 0.098 0.000 1.139 280 T CB -0.375 68.531 68.868 0.064 0.000 0.871 280 T HN 0.840 nan 8.240 nan 0.000 0.454 281 N N 1.058 119.811 118.700 0.089 0.000 2.640 281 N HA 0.516 5.254 4.740 -0.004 0.000 0.262 281 N C -0.905 174.660 175.510 0.091 0.000 1.174 281 N CA -0.246 52.869 53.050 0.108 0.000 0.791 281 N CB 1.179 39.675 38.487 0.015 0.000 1.279 281 N HN 0.536 nan 8.380 nan 0.000 0.535 282 A N 1.802 124.679 122.820 0.096 0.000 2.565 282 A HA 0.248 4.566 4.320 -0.004 0.000 0.237 282 A C 0.302 177.947 177.584 0.102 0.000 1.053 282 A CA 0.442 52.525 52.037 0.077 0.000 0.755 282 A CB -0.202 18.824 19.000 0.044 0.000 0.980 282 A HN 0.536 nan 8.150 nan 0.000 0.506 283 T N 2.914 117.533 114.554 0.109 0.000 2.761 283 T HA 0.298 4.645 4.350 -0.004 0.000 0.296 283 T C 0.417 175.213 174.700 0.159 0.000 0.934 283 T CA 0.106 62.281 62.100 0.124 0.000 1.091 283 T CB 0.575 69.519 68.868 0.127 0.000 0.896 283 T HN 0.532 nan 8.240 nan 0.000 0.515 284 S N 4.200 119.987 115.700 0.145 0.000 2.400 284 S HA 0.266 4.734 4.470 -0.004 0.000 0.295 284 S C 0.441 175.191 174.600 0.249 0.000 1.113 284 S CA -0.744 57.554 58.200 0.164 0.000 1.064 284 S CB -0.175 63.050 63.200 0.041 0.000 0.990 284 S HN 0.436 nan 8.310 nan 0.000 0.502 285 I N 3.686 124.404 120.570 0.247 0.000 2.416 285 I HA 0.195 4.363 4.170 -0.004 0.000 0.288 285 I C 0.713 176.923 176.117 0.154 0.000 1.051 285 I CA -0.052 61.400 61.300 0.253 0.000 1.375 285 I CB 0.457 38.686 38.000 0.381 0.000 1.407 285 I HN 0.620 nan 8.210 nan 0.000 0.516 286 Q N 6.140 126.000 119.800 0.100 0.000 2.235 286 Q HA 0.522 4.860 4.340 -0.004 0.000 0.250 286 Q C -1.135 174.801 176.000 -0.107 0.000 0.909 286 Q CA -0.524 55.155 55.803 -0.207 0.000 0.910 286 Q CB 1.423 29.966 28.738 -0.325 0.000 1.223 286 Q HN 0.563 nan 8.270 nan 0.000 0.432 287 I N 3.865 124.362 120.570 -0.122 0.000 2.390 287 I HA 0.194 4.361 4.170 -0.004 0.000 0.283 287 I C 0.091 176.211 176.117 0.005 0.000 1.016 287 I CA -0.716 60.591 61.300 0.012 0.000 1.151 287 I CB 1.601 39.653 38.000 0.086 0.000 1.293 287 I HN 0.687 nan 8.210 nan 0.000 0.458 288 T N 2.982 117.499 114.554 -0.063 0.000 2.913 288 T HA 0.589 4.937 4.350 -0.004 0.000 0.297 288 T C 0.486 175.003 174.700 -0.303 0.000 1.029 288 T CA -0.799 61.208 62.100 -0.155 0.000 1.104 288 T CB 1.514 70.288 68.868 -0.157 0.000 0.964 288 T HN 0.576 nan 8.240 nan 0.000 0.532 289 A N 3.989 126.397 122.820 -0.687 0.000 2.406 289 A HA 0.525 4.843 4.320 -0.004 0.000 0.243 289 A C -1.729 175.375 177.584 -0.799 0.000 1.082 289 A CA -1.427 49.767 52.037 -1.406 0.000 0.786 289 A CB -0.671 17.086 19.000 -2.072 0.000 1.029 289 A HN 0.830 nan 8.150 nan 0.000 0.495 290 P HA 0.182 nan 4.420 nan 0.000 0.272 290 P C 0.681 177.773 177.300 -0.347 0.000 1.223 290 P CA 0.513 63.379 63.100 -0.390 0.000 0.784 290 P CB 1.011 32.549 31.700 -0.271 0.000 0.923 291 A N 3.023 125.710 122.820 -0.222 0.000 1.958 291 A HA -0.224 4.094 4.320 -0.004 0.000 0.221 291 A C 2.189 179.673 177.584 -0.166 0.000 1.178 291 A CA 2.535 54.465 52.037 -0.177 0.000 0.642 291 A CB -1.805 17.124 19.000 -0.118 0.000 0.816 291 A HN 0.691 nan 8.150 nan 0.000 0.453 292 S N -1.639 113.981 115.700 -0.133 0.000 2.507 292 S HA -0.039 4.429 4.470 -0.004 0.000 0.235 292 S C 1.636 176.165 174.600 -0.119 0.000 0.988 292 S CA 1.437 59.584 58.200 -0.089 0.000 0.944 292 S CB -0.224 62.995 63.200 0.031 0.000 0.762 292 S HN 0.432 nan 8.310 nan 0.000 0.526 293 M N 0.527 119.984 119.600 -0.238 0.000 2.657 293 M HA 0.376 4.854 4.480 -0.004 0.000 0.262 293 M C 1.871 177.934 176.300 -0.396 0.000 1.213 293 M CA 0.548 55.647 55.300 -0.336 0.000 1.182 293 M CB -0.979 31.257 32.600 -0.607 0.000 1.303 293 M HN 0.307 nan 8.290 nan 0.000 0.501 294 L N 1.227 122.204 121.223 -0.410 0.000 2.353 294 L HA -0.138 4.199 4.340 -0.004 0.000 0.220 294 L C 2.328 179.139 176.870 -0.098 0.000 1.133 294 L CA 0.689 55.380 54.840 -0.248 0.000 0.798 294 L CB -0.895 41.025 42.059 -0.232 0.000 0.922 294 L HN 0.323 nan 8.230 nan 0.000 0.445 295 I N -2.583 117.927 120.570 -0.100 0.000 2.614 295 I HA 0.085 4.253 4.170 -0.004 0.000 0.258 295 I C 1.067 177.165 176.117 -0.032 0.000 1.189 295 I CA 0.781 62.042 61.300 -0.064 0.000 1.462 295 I CB -0.508 37.446 38.000 -0.077 0.000 1.092 295 I HN 0.112 nan 8.210 nan 0.000 0.442 296 G N 0.194 108.993 108.800 -0.003 0.000 2.749 296 G HA2 0.301 4.259 3.960 -0.004 0.000 0.300 296 G HA3 0.301 4.259 3.960 -0.004 0.000 0.300 296 G C -1.749 173.197 174.900 0.077 0.000 1.352 296 G CA -0.555 44.554 45.100 0.015 0.000 0.789 296 G HN 0.030 nan 8.290 nan 0.000 0.509 297 D N 1.060 121.456 120.400 -0.007 0.000 2.443 297 D HA 0.394 5.032 4.640 -0.004 0.000 0.239 297 D C 0.404 176.632 176.300 -0.119 0.000 1.136 297 D CA 0.680 54.616 54.000 -0.108 0.000 0.879 297 D CB 0.536 41.236 40.800 -0.166 0.000 1.195 297 D HN 0.545 nan 8.370 nan 0.000 0.443 298 H N -1.043 117.889 119.070 -0.231 0.000 2.928 298 H HA 0.474 5.028 4.556 -0.004 0.000 0.285 298 H C -1.345 173.845 175.328 -0.229 0.000 1.438 298 H CA -0.803 55.111 56.048 -0.223 0.000 1.176 298 H CB 0.451 30.213 29.762 0.000 0.000 1.864 298 H HN 0.312 nan 8.280 nan 0.000 0.567 299 Y N -0.092 120.443 120.300 0.391 0.000 2.553 299 Y HA 0.379 4.927 4.550 -0.004 0.000 0.347 299 Y C -0.503 175.701 175.900 0.507 0.000 1.019 299 Y CA -1.114 57.224 58.100 0.398 0.000 1.032 299 Y CB 2.027 40.568 38.460 0.135 0.000 1.284 299 Y HN 0.481 nan 8.280 nan 0.000 0.466 300 L N 3.236 124.850 121.223 0.652 0.000 2.260 300 L HA 0.400 4.738 4.340 -0.004 0.000 0.289 300 L C 0.451 177.395 176.870 0.124 0.000 1.057 300 L CA -0.254 54.632 54.840 0.076 0.000 0.811 300 L CB 0.339 42.348 42.059 -0.083 0.000 1.184 300 L HN 0.984 nan 8.230 nan 0.000 0.429 301 C N 1.383 120.609 119.300 -0.124 0.000 3.228 301 C HA 0.507 4.965 4.460 -0.004 0.000 0.290 301 C C 0.214 175.042 174.990 -0.270 0.000 1.301 301 C CA -0.392 58.461 59.018 -0.275 0.000 1.703 301 C CB -0.669 26.970 27.740 -0.168 0.000 2.141 301 C HN 0.849 nan 8.230 nan 0.000 0.656 302 D N 0.150 120.432 120.400 -0.196 0.000 2.769 302 D HA 0.451 5.089 4.640 -0.004 0.000 0.219 302 D C -1.864 174.180 176.300 -0.427 0.000 1.245 302 D CA 0.116 54.029 54.000 -0.146 0.000 0.801 302 D CB 2.766 43.461 40.800 -0.175 0.000 1.598 302 D HN 0.057 nan 8.370 nan 0.000 0.485 303 V N 2.313 121.904 119.914 -0.539 0.000 2.623 303 V HA 0.598 4.716 4.120 -0.004 0.000 0.304 303 V C -0.504 175.187 176.094 -0.671 0.000 1.054 303 V CA -0.386 61.340 62.300 -0.956 0.000 0.882 303 V CB 2.037 32.740 31.823 -1.866 0.000 1.002 303 V HN 0.662 nan 8.190 nan 0.000 0.424 304 T N 3.436 117.677 114.554 -0.522 0.000 3.143 304 T HA 0.334 4.682 4.350 -0.004 0.000 0.312 304 T C -0.963 173.585 174.700 -0.253 0.000 0.986 304 T CA -0.498 61.462 62.100 -0.232 0.000 1.024 304 T CB 0.815 69.629 68.868 -0.090 0.000 1.030 304 T HN 0.518 nan 8.240 nan 0.000 0.448 305 W N 1.918 123.144 121.300 -0.124 0.000 2.170 305 W HA 0.502 5.160 4.660 -0.004 0.000 0.336 305 W C 1.131 177.504 176.519 -0.244 0.000 1.283 305 W CA -0.242 57.019 57.345 -0.140 0.000 1.224 305 W CB 0.640 30.105 29.460 0.010 0.000 1.132 305 W HN 0.826 nan 8.180 nan 0.000 0.571 306 A N 1.422 124.132 122.820 -0.184 0.000 1.984 306 A HA 0.239 4.557 4.320 -0.004 0.000 0.203 306 A C 0.765 178.319 177.584 -0.049 0.000 1.292 306 A CA 1.393 53.104 52.037 -0.543 0.000 0.782 306 A CB -0.275 17.892 19.000 -1.388 0.000 0.924 306 A HN 0.529 nan 8.150 nan 0.000 0.475 307 T N -5.437 109.183 114.554 0.109 0.000 2.647 307 T HA 0.334 4.682 4.350 -0.004 0.000 0.295 307 T C 0.056 174.909 174.700 0.255 0.000 1.126 307 T CA -0.346 61.855 62.100 0.168 0.000 1.040 307 T CB 0.672 69.627 68.868 0.145 0.000 1.472 307 T HN -0.067 nan 8.240 nan 0.000 0.500 308 Q N 0.257 120.174 119.800 0.194 0.000 2.291 308 Q HA 0.037 4.375 4.340 -0.004 0.000 0.206 308 Q C 0.772 177.012 176.000 0.401 0.000 0.976 308 Q CA 1.446 57.365 55.803 0.195 0.000 0.875 308 Q CB -0.126 28.698 28.738 0.144 0.000 0.927 308 Q HN 0.823 nan 8.270 nan 0.000 0.450 309 E N -0.212 120.236 120.200 0.412 0.000 2.876 309 E HA 0.198 4.546 4.350 -0.004 0.000 0.208 309 E C -0.359 176.514 176.600 0.455 0.000 0.981 309 E CA -0.160 56.515 56.400 0.457 0.000 1.174 309 E CB 0.952 30.834 29.700 0.304 0.000 1.047 309 E HN -0.033 nan 8.360 nan 0.000 0.477 310 R N 1.514 122.316 120.500 0.505 0.000 2.510 310 R HA 0.482 4.820 4.340 -0.004 0.000 0.287 310 R C -1.839 174.517 176.300 0.094 0.000 1.084 310 R CA -0.431 55.842 56.100 0.288 0.000 0.934 310 R CB 1.248 31.603 30.300 0.092 0.000 1.201 310 R HN 0.087 nan 8.270 nan 0.000 0.431 311 I N 3.112 123.564 120.570 -0.198 0.000 2.646 311 I HA 0.476 4.644 4.170 -0.004 0.000 0.299 311 I C -0.891 174.910 176.117 -0.527 0.000 1.036 311 I CA -0.562 60.333 61.300 -0.675 0.000 1.074 311 I CB 2.272 39.408 38.000 -1.440 0.000 1.258 311 I HN 0.861 nan 8.210 nan 0.000 0.430 312 S N 7.544 122.910 115.700 -0.557 0.000 2.482 312 S HA 0.773 5.241 4.470 -0.004 0.000 0.303 312 S C -1.057 173.222 174.600 -0.535 0.000 1.091 312 S CA -0.716 57.236 58.200 -0.413 0.000 1.057 312 S CB 1.575 64.637 63.200 -0.229 0.000 1.031 312 S HN 0.552 nan 8.310 nan 0.000 0.485 313 L N 1.973 122.897 121.223 -0.498 0.000 2.401 313 L HA 0.577 4.915 4.340 -0.004 0.000 0.266 313 L C -0.482 176.086 176.870 -0.505 0.000 0.991 313 L CA -0.727 53.706 54.840 -0.678 0.000 0.818 313 L CB 2.257 43.791 42.059 -0.875 0.000 1.321 313 L HN 0.686 nan 8.230 nan 0.000 0.413 314 Q N 1.459 120.919 119.800 -0.565 0.000 2.340 314 Q HA 0.456 4.794 4.340 -0.004 0.000 0.268 314 Q C -1.806 173.968 176.000 -0.377 0.000 1.031 314 Q CA -0.592 55.015 55.803 -0.326 0.000 0.804 314 Q CB 2.607 31.213 28.738 -0.220 0.000 1.286 314 Q HN 0.413 nan 8.270 nan 0.000 0.448 315 W N 2.410 123.668 121.300 -0.070 0.000 2.689 315 W HA 0.621 5.279 4.660 -0.003 0.000 0.340 315 W C -0.907 175.648 176.519 0.060 0.000 1.060 315 W CA -0.697 56.657 57.345 0.015 0.000 1.218 315 W CB 1.134 30.582 29.460 -0.021 0.000 1.410 315 W HN 0.383 nan 8.180 nan 0.000 0.528 316 L N 2.988 124.445 121.223 0.389 0.000 2.385 316 L HA 0.570 4.907 4.340 -0.004 0.000 0.273 316 L C -0.059 177.011 176.870 0.334 0.000 0.990 316 L CA -1.170 53.859 54.840 0.315 0.000 0.821 316 L CB 1.224 43.447 42.059 0.273 0.000 1.279 316 L HN 0.409 nan 8.230 nan 0.000 0.412 317 R N 2.543 123.200 120.500 0.261 0.000 2.694 317 R HA 0.176 4.514 4.340 -0.004 0.000 0.268 317 R C 1.052 177.403 176.300 0.085 0.000 1.061 317 R CA -0.046 56.150 56.100 0.159 0.000 1.133 317 R CB 0.533 30.913 30.300 0.134 0.000 1.020 317 R HN 0.669 nan 8.270 nan 0.000 0.475 318 R N 1.374 121.824 120.500 -0.084 0.000 2.117 318 R HA -0.100 4.238 4.340 -0.004 0.000 0.243 318 R C 0.421 176.762 176.300 0.068 0.000 1.143 318 R CA 1.219 57.243 56.100 -0.127 0.000 0.968 318 R CB 0.144 30.341 30.300 -0.171 0.000 0.863 318 R HN 0.386 nan 8.270 nan 0.000 0.444 319 I N 2.873 123.475 120.570 0.052 0.000 2.278 319 I HA 0.006 4.174 4.170 -0.004 0.000 0.296 319 I C 0.214 176.392 176.117 0.103 0.000 1.121 319 I CA 0.347 61.684 61.300 0.062 0.000 1.267 319 I CB 0.799 38.821 38.000 0.036 0.000 1.447 319 I HN 0.289 nan 8.210 nan 0.000 0.509 320 Q N 4.367 124.232 119.800 0.109 0.000 2.285 320 Q HA -0.105 4.233 4.340 -0.004 0.000 0.191 320 Q C 0.534 176.618 176.000 0.139 0.000 0.860 320 Q CA 0.213 56.094 55.803 0.129 0.000 1.015 320 Q CB -0.433 28.342 28.738 0.063 0.000 1.118 320 Q HN 0.619 nan 8.270 nan 0.000 0.455 321 N N -0.814 117.972 118.700 0.143 0.000 2.291 321 N HA -0.011 4.727 4.740 -0.004 0.000 0.244 321 N C -1.195 174.436 175.510 0.202 0.000 1.216 321 N CA -0.290 52.836 53.050 0.128 0.000 0.879 321 N CB 0.318 38.853 38.487 0.081 0.000 1.167 321 N HN 0.197 nan 8.380 nan 0.000 0.515 322 Y N 0.991 121.321 120.300 0.051 0.000 2.323 322 Y HA 0.487 5.034 4.550 -0.004 0.000 0.322 322 Y C -1.349 174.593 175.900 0.069 0.000 1.133 322 Y CA -0.807 57.322 58.100 0.048 0.000 1.093 322 Y CB 1.319 39.799 38.460 0.033 0.000 1.203 322 Y HN 0.178 nan 8.280 nan 0.000 0.427 323 S N 4.177 119.783 115.700 -0.158 0.000 2.570 323 S HA 0.935 5.403 4.470 -0.004 0.000 0.286 323 S C -1.894 172.603 174.600 -0.172 0.000 1.099 323 S CA -0.758 57.414 58.200 -0.047 0.000 0.913 323 S CB 2.054 65.256 63.200 0.004 0.000 1.085 323 S HN 0.457 nan 8.310 nan 0.000 0.480 324 V N 2.949 122.857 119.914 -0.010 0.000 2.638 324 V HA 0.552 4.670 4.120 -0.004 0.000 0.306 324 V C -0.549 175.587 176.094 0.069 0.000 1.052 324 V CA -0.645 61.654 62.300 -0.001 0.000 0.885 324 V CB 1.858 33.708 31.823 0.044 0.000 0.999 324 V HN 1.032 nan 8.190 nan 0.000 0.424 325 M N 3.757 123.372 119.600 0.024 0.000 2.205 325 M HA 0.543 5.021 4.480 -0.004 0.000 0.344 325 M C -1.451 174.873 176.300 0.039 0.000 1.085 325 M CA -0.323 54.969 55.300 -0.013 0.000 1.001 325 M CB 1.292 33.822 32.600 -0.116 0.000 1.626 325 M HN 0.608 nan 8.290 nan 0.000 0.442 326 D N 5.001 125.415 120.400 0.024 0.000 2.198 326 D HA 0.568 5.206 4.640 -0.004 0.000 0.247 326 D C -0.924 175.356 176.300 -0.034 0.000 1.010 326 D CA -0.055 53.961 54.000 0.026 0.000 0.880 326 D CB 2.037 42.868 40.800 0.051 0.000 1.209 326 D HN 0.608 nan 8.370 nan 0.000 0.451 327 I N 1.827 122.402 120.570 0.008 0.000 2.439 327 I HA 0.279 4.447 4.170 -0.004 0.000 0.285 327 I C -0.706 175.419 176.117 0.014 0.000 1.021 327 I CA -0.604 60.689 61.300 -0.012 0.000 1.091 327 I CB 1.399 39.449 38.000 0.083 0.000 1.242 327 I HN 0.174 nan 8.210 nan 0.000 0.439 328 c N 3.701 122.300 118.600 -0.001 0.000 2.417 328 c HA 0.565 5.133 4.570 -0.004 0.000 0.324 328 c C -0.347 173.903 174.090 0.266 0.000 1.240 328 c CA -0.788 55.615 56.329 0.122 0.000 1.632 328 c CB 1.069 43.659 42.510 0.133 0.000 2.241 328 c HN 0.576 nan 8.230 nan 0.000 0.499 329 D N 0.384 120.905 120.400 0.202 0.000 2.185 329 D HA 0.333 4.971 4.640 -0.004 0.000 0.247 329 D C -0.588 175.621 176.300 -0.151 0.000 1.027 329 D CA -0.216 53.849 54.000 0.107 0.000 0.861 329 D CB 0.821 41.641 40.800 0.034 0.000 1.202 329 D HN 0.577 nan 8.370 nan 0.000 0.453 330 Y N 1.254 121.128 120.300 -0.709 0.000 2.359 330 Y HA 0.223 4.771 4.550 -0.004 0.000 0.330 330 Y C -0.159 175.432 175.900 -0.515 0.000 1.143 330 Y CA -0.309 57.059 58.100 -1.220 0.000 1.318 330 Y CB 0.803 38.500 38.460 -1.273 0.000 1.234 330 Y HN 0.164 nan 8.280 nan 0.000 0.522 331 D N 5.236 124.999 120.400 -1.062 0.000 2.485 331 D HA 0.082 4.720 4.640 -0.004 0.000 0.229 331 D C 0.831 176.544 176.300 -0.979 0.000 1.101 331 D CA -0.116 53.447 54.000 -0.729 0.000 0.906 331 D CB 0.410 40.958 40.800 -0.419 0.000 1.019 331 D HN 0.855 nan 8.370 nan 0.000 0.516 332 E N 1.762 121.487 120.200 -0.792 0.000 2.284 332 E HA -0.245 4.103 4.350 -0.004 0.000 0.200 332 E C 1.128 177.577 176.600 -0.252 0.000 1.008 332 E CA 1.395 57.516 56.400 -0.465 0.000 0.829 332 E CB 0.381 30.013 29.700 -0.113 0.000 0.744 332 E HN 0.477 nan 8.360 nan 0.000 0.491 333 S N -0.954 114.603 115.700 -0.238 0.000 2.456 333 S HA -0.031 4.436 4.470 -0.004 0.000 0.224 333 S C 1.922 176.450 174.600 -0.119 0.000 1.035 333 S CA 0.611 58.733 58.200 -0.130 0.000 0.940 333 S CB 0.329 63.470 63.200 -0.098 0.000 0.799 333 S HN 0.226 nan 8.310 nan 0.000 0.508 334 S N 0.122 115.715 115.700 -0.177 0.000 2.524 334 S HA 0.450 4.917 4.470 -0.004 0.000 0.215 334 S C 1.605 176.148 174.600 -0.095 0.000 0.986 334 S CA 0.536 58.667 58.200 -0.115 0.000 0.911 334 S CB -0.420 62.714 63.200 -0.109 0.000 0.805 334 S HN 1.469 nan 8.310 nan 0.000 0.501 335 G N 1.995 110.680 108.800 -0.191 0.000 2.203 335 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.263 335 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.263 335 G C 0.123 175.079 174.900 0.095 0.000 1.012 335 G CA 0.388 45.506 45.100 0.030 0.000 0.749 335 G HN 0.521 nan 8.290 nan 0.000 0.512 336 R N -1.767 118.657 120.500 -0.126 0.000 2.875 336 R HA 0.682 5.020 4.340 -0.004 0.000 0.251 336 R C -0.786 175.424 176.300 -0.149 0.000 1.123 336 R CA -1.001 55.098 56.100 -0.002 0.000 1.064 336 R CB 0.689 30.991 30.300 0.003 0.000 1.205 336 R HN 0.184 nan 8.270 nan 0.000 0.503 337 W N 0.420 121.751 121.300 0.051 0.000 2.471 337 W HA 0.412 5.070 4.660 -0.004 0.000 0.318 337 W C -0.375 176.140 176.519 -0.008 0.000 1.034 337 W CA -0.361 57.003 57.345 0.032 0.000 1.224 337 W CB 1.151 30.623 29.460 0.021 0.000 1.335 337 W HN 0.400 nan 8.180 nan 0.000 0.452 338 N N 2.035 120.822 118.700 0.146 0.000 2.284 338 N HA 0.558 5.296 4.740 -0.004 0.000 0.300 338 N C -1.543 174.016 175.510 0.082 0.000 1.047 338 N CA -0.667 52.431 53.050 0.080 0.000 0.821 338 N CB 1.345 39.838 38.487 0.011 0.000 1.337 338 N HN 0.183 nan 8.380 nan 0.000 0.482 339 c N 2.744 121.378 118.600 0.056 0.000 2.258 339 c HA 0.382 4.950 4.570 -0.004 0.000 0.321 339 c C 0.375 174.476 174.090 0.018 0.000 1.168 339 c CA -1.123 55.230 56.329 0.040 0.000 1.531 339 c CB -1.385 41.142 42.510 0.028 0.000 2.095 339 c HN 0.617 nan 8.230 nan 0.000 0.449 340 L N 2.608 123.844 121.223 0.021 0.000 2.513 340 L HA 0.021 4.359 4.340 -0.004 0.000 0.272 340 L C 1.668 178.538 176.870 -0.000 0.000 1.187 340 L CA 0.294 55.139 54.840 0.009 0.000 0.895 340 L CB 0.594 42.662 42.059 0.015 0.000 1.147 340 L HN 0.681 nan 8.230 nan 0.000 0.483 341 V N 4.459 124.363 119.914 -0.015 0.000 2.568 341 V HA -0.272 3.845 4.120 -0.004 0.000 0.253 341 V C 2.245 178.314 176.094 -0.042 0.000 1.072 341 V CA 2.132 64.415 62.300 -0.029 0.000 1.084 341 V CB -0.078 31.725 31.823 -0.033 0.000 0.676 341 V HN 0.996 nan 8.190 nan 0.000 0.469 342 A N -0.121 122.681 122.820 -0.030 0.000 2.125 342 A HA -0.118 4.200 4.320 -0.004 0.000 0.219 342 A C 2.206 179.762 177.584 -0.047 0.000 1.156 342 A CA 1.598 53.611 52.037 -0.039 0.000 0.671 342 A CB -0.431 18.558 19.000 -0.017 0.000 0.794 342 A HN 0.649 nan 8.150 nan 0.000 0.459 343 R N -1.091 119.401 120.500 -0.013 0.000 2.397 343 R HA 0.157 4.495 4.340 -0.004 0.000 0.241 343 R C 0.656 176.980 176.300 0.041 0.000 0.914 343 R CA -0.177 55.958 56.100 0.059 0.000 1.071 343 R CB 0.214 30.590 30.300 0.127 0.000 1.116 343 R HN 0.626 nan 8.270 nan 0.000 0.524 344 Q N 0.839 120.596 119.800 -0.071 0.000 2.327 344 Q HA 0.064 4.402 4.340 -0.004 0.000 0.254 344 Q C -1.103 174.762 176.000 -0.226 0.000 0.952 344 Q CA 0.151 55.927 55.803 -0.046 0.000 0.884 344 Q CB 0.624 29.335 28.738 -0.045 0.000 1.224 344 Q HN 0.200 nan 8.270 nan 0.000 0.422 345 H N 2.595 121.668 119.070 0.004 0.000 2.589 345 H HA 0.433 4.987 4.556 -0.004 0.000 0.351 345 H C -0.836 174.467 175.328 -0.042 0.000 1.074 345 H CA -0.474 55.582 56.048 0.013 0.000 1.203 345 H CB 1.201 30.969 29.762 0.010 0.000 1.558 345 H HN 0.524 nan 8.280 nan 0.000 0.522 346 I N 2.008 122.597 120.570 0.031 0.000 2.392 346 I HA 0.276 4.444 4.170 -0.004 0.000 0.295 346 I C -0.066 176.005 176.117 -0.076 0.000 0.985 346 I CA -0.278 60.957 61.300 -0.108 0.000 1.221 346 I CB 1.461 39.371 38.000 -0.150 0.000 1.366 346 I HN 0.557 nan 8.210 nan 0.000 0.467 347 E N 7.958 128.050 120.200 -0.179 0.000 2.265 347 E HA 0.558 4.906 4.350 -0.004 0.000 0.262 347 E C -1.252 175.257 176.600 -0.152 0.000 0.889 347 E CA -0.634 55.713 56.400 -0.088 0.000 0.789 347 E CB 1.533 31.214 29.700 -0.031 0.000 1.221 347 E HN 0.620 nan 8.360 nan 0.000 0.414 348 M N 1.005 120.563 119.600 -0.070 0.000 2.704 348 M HA 0.686 5.164 4.480 -0.004 0.000 0.284 348 M C -1.089 175.225 176.300 0.024 0.000 1.275 348 M CA -0.958 54.336 55.300 -0.010 0.000 0.811 348 M CB 2.260 34.904 32.600 0.074 0.000 1.741 348 M HN 0.248 nan 8.290 nan 0.000 0.458 349 S N -0.781 114.941 115.700 0.037 0.000 2.540 349 S HA 0.593 5.061 4.470 -0.004 0.000 0.275 349 S C 0.101 174.705 174.600 0.006 0.000 1.123 349 S CA 0.061 58.263 58.200 0.004 0.000 0.907 349 S CB 1.923 65.096 63.200 -0.046 0.000 1.081 349 S HN 0.921 nan 8.310 nan 0.000 0.476 350 T N -0.221 114.334 114.554 0.000 0.000 3.023 350 T HA 0.065 4.413 4.350 -0.004 0.000 0.249 350 T C 1.608 176.298 174.700 -0.016 0.000 1.050 350 T CA 0.972 63.073 62.100 0.001 0.000 1.088 350 T CB -0.543 68.329 68.868 0.007 0.000 0.946 350 T HN 0.684 nan 8.240 nan 0.000 0.480 351 T N -1.351 113.193 114.554 -0.017 0.000 3.044 351 T HA 0.563 4.911 4.350 -0.004 0.000 0.255 351 T C 1.214 175.806 174.700 -0.180 0.000 1.073 351 T CA 0.440 62.538 62.100 -0.003 0.000 1.125 351 T CB 0.162 69.091 68.868 0.101 0.000 0.908 351 T HN 0.620 nan 8.240 nan 0.000 0.480 352 G N 0.233 108.745 108.800 -0.480 0.000 2.726 352 G HA2 0.497 4.455 3.960 -0.004 0.000 0.198 352 G HA3 0.497 4.455 3.960 -0.004 0.000 0.198 352 G C -1.534 173.064 174.900 -0.504 0.000 1.195 352 G CA -0.617 43.913 45.100 -0.950 0.000 0.951 352 G HN 0.484 nan 8.290 nan 0.000 0.532 353 W N -0.349 120.658 121.300 -0.488 0.000 2.181 353 W HA 0.761 5.419 4.660 -0.004 0.000 0.415 353 W C -0.455 176.001 176.519 -0.105 0.000 1.689 353 W CA -1.258 55.948 57.345 -0.232 0.000 1.859 353 W CB 0.516 29.816 29.460 -0.267 0.000 1.425 353 W HN 0.259 nan 8.180 nan 0.000 0.713 354 V N 2.665 122.672 119.914 0.156 0.000 2.394 354 V HA 0.716 4.834 4.120 -0.004 0.000 0.282 354 V C 0.691 176.883 176.094 0.164 0.000 1.031 354 V CA 0.341 62.688 62.300 0.079 0.000 0.881 354 V CB 0.114 31.980 31.823 0.071 0.000 0.982 354 V HN 1.271 nan 8.190 nan 0.000 0.451 355 G N 5.221 114.072 108.800 0.086 0.000 2.756 355 G HA2 -0.176 3.782 3.960 -0.004 0.000 0.678 355 G HA3 -0.176 3.782 3.960 -0.004 0.000 0.678 355 G C 0.289 175.306 174.900 0.194 0.000 1.349 355 G CA 0.130 45.306 45.100 0.128 0.000 0.847 355 G HN 0.639 nan 8.290 nan 0.000 0.548 356 R N -0.785 119.808 120.500 0.156 0.000 2.057 356 R HA 0.142 4.480 4.340 -0.004 0.000 0.229 356 R C 1.832 178.103 176.300 -0.049 0.000 1.136 356 R CA 2.085 58.221 56.100 0.061 0.000 0.952 356 R CB -0.080 30.233 30.300 0.023 0.000 0.848 356 R HN 0.457 nan 8.270 nan 0.000 0.430 357 F N -0.806 119.296 119.950 0.253 0.000 2.817 357 F HA 0.278 4.803 4.527 -0.003 0.000 0.333 357 F C 0.127 175.956 175.800 0.047 0.000 1.085 357 F CA -0.450 57.630 58.000 0.133 0.000 1.170 357 F CB 0.814 39.888 39.000 0.124 0.000 1.066 357 F HN -0.093 nan 8.300 nan 0.000 0.564 358 R N -1.416 119.220 120.500 0.226 0.000 3.062 358 R HA 0.299 4.637 4.340 -0.004 0.000 0.279 358 R C -3.438 172.923 176.300 0.102 0.000 1.003 358 R CA -1.578 54.587 56.100 0.108 0.000 0.872 358 R CB -0.042 30.272 30.300 0.024 0.000 1.280 358 R HN -0.340 nan 8.270 nan 0.000 0.516 359 P HA -0.027 nan 4.420 nan 0.000 0.264 359 P C -0.208 177.112 177.300 0.033 0.000 1.183 359 P CA 0.222 63.344 63.100 0.036 0.000 0.763 359 P CB 0.762 32.461 31.700 -0.003 0.000 0.807 360 S N 2.104 117.837 115.700 0.054 0.000 2.600 360 S HA 0.172 4.640 4.470 -0.004 0.000 0.265 360 S C 0.194 174.810 174.600 0.027 0.000 1.325 360 S CA -0.673 57.572 58.200 0.076 0.000 1.002 360 S CB 0.395 63.664 63.200 0.115 0.000 0.921 360 S HN 0.504 nan 8.310 nan 0.000 0.554 361 E N 1.116 121.350 120.200 0.056 0.000 2.301 361 E HA 0.444 4.792 4.350 -0.004 0.000 0.275 361 E C -2.818 173.762 176.600 -0.033 0.000 1.030 361 E CA -2.374 54.011 56.400 -0.026 0.000 0.852 361 E CB 0.445 30.126 29.700 -0.033 0.000 1.060 361 E HN 0.472 nan 8.360 nan 0.000 0.401 362 P HA 0.289 nan 4.420 nan 0.000 0.284 362 P C -0.797 176.383 177.300 -0.200 0.000 1.258 362 P CA -0.429 62.529 63.100 -0.236 0.000 0.824 362 P CB 0.964 32.174 31.700 -0.817 0.000 1.038 363 H N 1.676 120.746 119.070 0.002 0.000 2.800 363 H HA 0.305 4.858 4.556 -0.004 0.000 0.322 363 H C -0.419 175.022 175.328 0.188 0.000 0.979 363 H CA -0.316 55.831 56.048 0.165 0.000 1.277 363 H CB 0.486 30.371 29.762 0.205 0.000 1.484 363 H HN 0.298 nan 8.280 nan 0.000 0.512 364 F N 1.766 121.906 119.950 0.317 0.000 2.375 364 F HA 0.092 4.617 4.527 -0.004 0.000 0.333 364 F C 1.574 177.571 175.800 0.329 0.000 1.104 364 F CA -0.522 57.676 58.000 0.330 0.000 1.149 364 F CB 1.058 40.184 39.000 0.211 0.000 1.190 364 F HN 0.374 nan 8.300 nan 0.000 0.533 365 T N 0.482 115.338 114.554 0.504 0.000 2.860 365 T HA 0.126 4.474 4.350 -0.004 0.000 0.299 365 T C 1.161 176.057 174.700 0.327 0.000 1.045 365 T CA -0.783 61.552 62.100 0.390 0.000 1.071 365 T CB 0.795 69.880 68.868 0.361 0.000 0.985 365 T HN 0.591 nan 8.240 nan 0.000 0.537 366 L N 1.524 122.893 121.223 0.243 0.000 2.010 366 L HA -0.169 4.169 4.340 -0.004 0.000 0.219 366 L C 2.188 179.171 176.870 0.187 0.000 1.077 366 L CA 2.679 57.636 54.840 0.195 0.000 0.773 366 L CB -1.139 41.009 42.059 0.149 0.000 0.892 366 L HN 0.983 nan 8.230 nan 0.000 0.436 367 D N -1.173 119.336 120.400 0.183 0.000 2.378 367 D HA 0.027 4.665 4.640 -0.004 0.000 0.227 367 D C 1.620 178.030 176.300 0.184 0.000 1.012 367 D CA 0.811 54.908 54.000 0.162 0.000 0.905 367 D CB -0.734 40.151 40.800 0.142 0.000 0.895 367 D HN 0.535 nan 8.370 nan 0.000 0.532 368 G N 0.558 109.506 108.800 0.247 0.000 2.166 368 G HA2 -0.368 3.590 3.960 -0.004 0.000 0.260 368 G HA3 -0.368 3.590 3.960 -0.004 0.000 0.260 368 G C 0.961 176.059 174.900 0.330 0.000 0.986 368 G CA 0.464 45.731 45.100 0.278 0.000 0.683 368 G HN 0.402 nan 8.290 nan 0.000 0.527 369 N N 0.015 118.884 118.700 0.282 0.000 2.373 369 N HA 0.170 4.908 4.740 -0.004 0.000 0.181 369 N C 1.068 176.698 175.510 0.201 0.000 1.082 369 N CA 1.135 54.320 53.050 0.224 0.000 0.885 369 N CB 0.424 38.998 38.487 0.147 0.000 0.977 369 N HN 0.869 nan 8.380 nan 0.000 0.462 370 S N -0.481 115.362 115.700 0.240 0.000 2.638 370 S HA 0.791 5.259 4.470 -0.004 0.000 0.274 370 S C -0.949 173.700 174.600 0.082 0.000 1.157 370 S CA -0.932 57.263 58.200 -0.009 0.000 0.826 370 S CB 1.951 65.053 63.200 -0.163 0.000 1.139 370 S HN 0.114 nan 8.310 nan 0.000 0.474 371 F N -2.178 117.578 119.950 -0.322 0.000 2.719 371 F HA 0.787 5.312 4.527 -0.004 0.000 0.309 371 F C -2.387 173.203 175.800 -0.350 0.000 1.138 371 F CA -1.541 56.212 58.000 -0.412 0.000 0.943 371 F CB 0.510 38.819 39.000 -1.152 0.000 1.304 371 F HN 0.592 nan 8.300 nan 0.000 0.445 372 Y N 1.321 121.768 120.300 0.244 0.000 2.377 372 Y HA 0.700 5.248 4.550 -0.004 0.000 0.339 372 Y C -0.185 175.874 175.900 0.266 0.000 1.011 372 Y CA -0.928 57.301 58.100 0.216 0.000 1.093 372 Y CB 2.102 40.639 38.460 0.127 0.000 1.201 372 Y HN 0.728 nan 8.280 nan 0.000 0.455 373 K N 3.050 123.665 120.400 0.357 0.000 2.498 373 K HA 0.571 4.889 4.320 -0.004 0.000 0.254 373 K C -1.588 175.149 176.600 0.229 0.000 0.933 373 K CA -0.610 55.842 56.287 0.275 0.000 0.806 373 K CB 1.712 34.329 32.500 0.196 0.000 1.301 373 K HN 0.722 nan 8.250 nan 0.000 0.432 374 I N 6.241 126.922 120.570 0.186 0.000 2.371 374 I HA 0.298 4.466 4.170 -0.004 0.000 0.290 374 I C 0.118 176.332 176.117 0.161 0.000 1.028 374 I CA -0.445 60.949 61.300 0.156 0.000 1.345 374 I CB 0.509 38.581 38.000 0.121 0.000 1.407 374 I HN 0.502 nan 8.210 nan 0.000 0.501 375 I N 2.425 123.120 120.570 0.208 0.000 3.006 375 I HA 0.507 4.675 4.170 -0.004 0.000 0.306 375 I C -0.233 176.006 176.117 0.205 0.000 1.250 375 I CA -0.834 60.587 61.300 0.201 0.000 0.996 375 I CB 2.265 40.410 38.000 0.242 0.000 1.261 375 I HN 0.481 nan 8.210 nan 0.000 0.442 376 S N 2.133 117.888 115.700 0.091 0.000 2.523 376 S HA 0.378 4.846 4.470 -0.004 0.000 0.275 376 S C -0.084 174.525 174.600 0.014 0.000 1.281 376 S CA -0.650 57.541 58.200 -0.016 0.000 1.050 376 S CB 0.568 63.690 63.200 -0.130 0.000 0.937 376 S HN 0.808 nan 8.310 nan 0.000 0.492 377 N N 2.572 121.159 118.700 -0.189 0.000 2.332 377 N HA 0.137 4.874 4.740 -0.004 0.000 0.282 377 N C 0.617 176.024 175.510 -0.171 0.000 1.288 377 N CA -0.439 52.377 53.050 -0.390 0.000 0.949 377 N CB -0.344 37.559 38.487 -0.974 0.000 1.108 377 N HN 0.751 nan 8.380 nan 0.000 0.542 378 E N -0.793 119.309 120.200 -0.164 0.000 2.265 378 E HA -0.142 4.206 4.350 -0.004 0.000 0.196 378 E C 0.753 177.299 176.600 -0.091 0.000 0.996 378 E CA 0.957 57.304 56.400 -0.089 0.000 0.832 378 E CB -0.143 29.515 29.700 -0.069 0.000 0.756 378 E HN 0.625 nan 8.360 nan 0.000 0.491 379 E N -0.630 119.511 120.200 -0.099 0.000 2.478 379 E HA 0.044 4.392 4.350 -0.004 0.000 0.194 379 E C 1.005 177.567 176.600 -0.064 0.000 1.045 379 E CA 0.318 56.701 56.400 -0.028 0.000 0.868 379 E CB 0.628 30.358 29.700 0.050 0.000 0.885 379 E HN 0.352 nan 8.360 nan 0.000 0.505 380 G N 0.864 109.571 108.800 -0.155 0.000 2.175 380 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.244 380 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.244 380 G C -0.331 174.281 174.900 -0.479 0.000 0.982 380 G CA -0.224 44.678 45.100 -0.330 0.000 0.641 380 G HN 0.201 nan 8.290 nan 0.000 0.527 381 Y N 0.564 120.722 120.300 -0.237 0.000 2.342 381 Y HA 0.659 5.207 4.550 -0.004 0.000 0.334 381 Y C 1.153 176.867 175.900 -0.311 0.000 1.067 381 Y CA -0.890 57.046 58.100 -0.274 0.000 1.128 381 Y CB 0.979 39.276 38.460 -0.272 0.000 1.200 381 Y HN 0.068 nan 8.280 nan 0.000 0.464 382 R N 3.597 123.954 120.500 -0.237 0.000 2.316 382 R HA 0.253 4.591 4.340 -0.004 0.000 0.314 382 R C -0.709 175.316 176.300 -0.458 0.000 1.069 382 R CA -0.001 55.970 56.100 -0.215 0.000 0.959 382 R CB 0.096 30.323 30.300 -0.122 0.000 0.987 382 R HN 0.656 nan 8.270 nan 0.000 0.446 383 H N 1.638 120.675 119.070 -0.055 0.000 2.949 383 H HA 0.354 4.908 4.556 -0.004 0.000 0.356 383 H C -0.160 175.237 175.328 0.115 0.000 1.212 383 H CA -0.930 55.067 56.048 -0.084 0.000 1.136 383 H CB 1.562 31.169 29.762 -0.259 0.000 1.869 383 H HN 0.326 nan 8.280 nan 0.000 0.556 384 I N 1.326 121.997 120.570 0.169 0.000 2.396 384 I HA 0.057 4.225 4.170 -0.004 0.000 0.289 384 I C 0.298 176.478 176.117 0.105 0.000 1.056 384 I CA 0.043 61.409 61.300 0.110 0.000 1.365 384 I CB 0.379 38.356 38.000 -0.038 0.000 1.407 384 I HN 0.114 nan 8.210 nan 0.000 0.509 385 c N 7.314 125.914 118.600 0.001 0.000 2.351 385 c HA 0.380 4.947 4.570 -0.004 0.000 0.326 385 c C -0.282 173.710 174.090 -0.164 0.000 1.272 385 c CA -0.481 55.631 56.329 -0.363 0.000 1.650 385 c CB 0.685 42.748 42.510 -0.746 0.000 2.257 385 c HN 0.627 nan 8.230 nan 0.000 0.505 386 Y N 5.204 125.216 120.300 -0.480 0.000 2.367 386 Y HA 0.600 5.148 4.550 -0.004 0.000 0.342 386 Y C -0.889 174.609 175.900 -0.670 0.000 0.979 386 Y CA -0.806 56.937 58.100 -0.595 0.000 1.161 386 Y CB 0.069 38.250 38.460 -0.465 0.000 1.155 386 Y HN 0.636 nan 8.280 nan 0.000 0.503 387 F N 3.924 123.144 119.950 -1.215 0.000 2.458 387 F HA 0.417 4.942 4.527 -0.004 0.000 0.330 387 F C -0.035 174.994 175.800 -1.284 0.000 1.082 387 F CA -0.899 56.322 58.000 -1.299 0.000 0.995 387 F CB 1.580 39.411 39.000 -1.947 0.000 1.170 387 F HN 0.306 nan 8.300 nan 0.000 0.478 388 Q N 2.277 121.726 119.800 -0.586 0.000 2.256 388 Q HA 0.337 4.675 4.340 -0.004 0.000 0.257 388 Q C 0.792 176.740 176.000 -0.086 0.000 0.936 388 Q CA -0.294 55.292 55.803 -0.361 0.000 0.903 388 Q CB 1.478 30.065 28.738 -0.251 0.000 1.263 388 Q HN 0.681 nan 8.270 nan 0.000 0.440 389 I N -0.432 120.179 120.570 0.069 0.000 2.567 389 I HA -0.094 4.074 4.170 -0.004 0.000 0.257 389 I C 0.175 176.503 176.117 0.351 0.000 1.184 389 I CA 1.377 62.869 61.300 0.319 0.000 1.451 389 I CB -0.039 38.177 38.000 0.359 0.000 1.089 389 I HN 0.453 nan 8.210 nan 0.000 0.441 390 D N 0.574 121.076 120.400 0.171 0.000 2.670 390 D HA 0.259 4.897 4.640 -0.004 0.000 0.255 390 D C -0.236 176.085 176.300 0.035 0.000 1.286 390 D CA -0.358 53.697 54.000 0.091 0.000 0.830 390 D CB -0.002 40.831 40.800 0.054 0.000 1.065 390 D HN 0.372 nan 8.370 nan 0.000 0.486 391 K N 0.393 120.836 120.400 0.071 0.000 2.471 391 K HA 0.278 4.596 4.320 -0.004 0.000 0.252 391 K C 0.344 176.978 176.600 0.056 0.000 0.938 391 K CA -0.867 55.424 56.287 0.006 0.000 0.796 391 K CB 2.150 34.618 32.500 -0.053 0.000 1.161 391 K HN -0.304 nan 8.250 nan 0.000 0.425 392 K N 0.536 120.920 120.400 -0.026 0.000 2.296 392 K HA 0.030 4.347 4.320 -0.004 0.000 0.200 392 K C -0.165 176.425 176.600 -0.016 0.000 1.048 392 K CA 0.899 57.188 56.287 0.003 0.000 0.966 392 K CB 0.021 32.488 32.500 -0.056 0.000 0.754 392 K HN 0.526 nan 8.250 nan 0.000 0.466 393 D N 0.983 121.314 120.400 -0.115 0.000 2.280 393 D HA 0.072 4.710 4.640 -0.004 0.000 0.243 393 D C 0.187 176.235 176.300 -0.421 0.000 1.129 393 D CA -0.378 53.490 54.000 -0.221 0.000 0.848 393 D CB 0.791 41.496 40.800 -0.159 0.000 1.107 393 D HN 0.182 nan 8.370 nan 0.000 0.471 394 c N 0.743 118.913 118.600 -0.717 0.000 2.345 394 c HA 0.833 5.401 4.570 -0.004 0.000 0.370 394 c C 0.274 173.953 174.090 -0.685 0.000 1.209 394 c CA -0.629 55.083 56.329 -1.029 0.000 2.133 394 c CB 1.051 42.322 42.510 -2.064 0.000 2.293 394 c HN 0.468 nan 8.230 nan 0.000 0.544 395 T N 1.818 116.028 114.554 -0.573 0.000 2.786 395 T HA 0.465 4.813 4.350 -0.004 0.000 0.283 395 T C -0.694 173.792 174.700 -0.357 0.000 0.992 395 T CA 0.148 62.056 62.100 -0.320 0.000 0.954 395 T CB 0.295 69.114 68.868 -0.081 0.000 0.934 395 T HN 0.477 nan 8.240 nan 0.000 0.440 396 F N 3.373 123.214 119.950 -0.181 0.000 2.495 396 F HA 0.244 4.769 4.527 -0.004 0.000 0.365 396 F C 1.646 177.284 175.800 -0.269 0.000 1.090 396 F CA -0.846 57.034 58.000 -0.201 0.000 1.235 396 F CB 0.422 39.304 39.000 -0.197 0.000 1.119 396 F HN 0.581 nan 8.300 nan 0.000 0.562 397 I N -0.428 120.034 120.570 -0.180 0.000 3.956 397 I HA 0.234 4.402 4.170 -0.004 0.000 0.333 397 I C 0.158 176.116 176.117 -0.266 0.000 1.302 397 I CA 0.121 61.124 61.300 -0.495 0.000 1.122 397 I CB -0.055 37.376 38.000 -0.949 0.000 1.013 397 I HN 0.501 nan 8.210 nan 0.000 0.405 398 T N -0.035 114.416 114.554 -0.171 0.000 2.883 398 T HA 0.706 5.054 4.350 -0.004 0.000 0.296 398 T C -0.737 173.573 174.700 -0.650 0.000 1.117 398 T CA -0.696 61.277 62.100 -0.211 0.000 1.006 398 T CB 2.743 71.573 68.868 -0.063 0.000 1.191 398 T HN 0.496 nan 8.240 nan 0.000 0.508 399 K N -0.379 119.443 120.400 -0.964 0.000 2.658 399 K HA 0.748 5.066 4.320 -0.004 0.000 0.293 399 K C -0.520 175.428 176.600 -1.087 0.000 1.026 399 K CA -0.818 54.593 56.287 -1.460 0.000 0.871 399 K CB 1.214 33.288 32.500 -0.709 0.000 1.524 399 K HN 1.705 nan 8.250 nan 0.000 0.400 400 G N -0.115 108.116 108.800 -0.949 0.000 2.351 400 G HA2 0.092 4.050 3.960 -0.004 0.000 0.353 400 G HA3 0.092 4.050 3.960 -0.004 0.000 0.353 400 G C -0.678 173.677 174.900 -0.909 0.000 1.358 400 G CA -0.346 44.355 45.100 -0.666 0.000 0.995 400 G HN 1.062 nan 8.290 nan 0.000 0.611 401 T N -0.483 113.673 114.554 -0.663 0.000 4.058 401 T HA 0.555 4.903 4.350 -0.004 0.000 0.252 401 T C 0.249 174.689 174.700 -0.433 0.000 1.264 401 T CA 0.582 62.061 62.100 -1.034 0.000 1.094 401 T CB -0.954 67.611 68.868 -0.505 0.000 1.316 401 T HN 1.485 nan 8.240 nan 0.000 0.872 402 W N -0.327 120.771 121.300 -0.336 0.000 2.895 402 W HA 0.657 5.315 4.660 -0.004 0.000 0.377 402 W C -1.445 175.063 176.519 -0.019 0.000 1.191 402 W CA -1.005 56.313 57.345 -0.044 0.000 1.179 402 W CB 0.616 30.047 29.460 -0.049 0.000 1.469 402 W HN 0.193 nan 8.180 nan 0.000 0.577 403 E N 0.613 120.990 120.200 0.295 0.000 2.367 403 E HA 0.451 4.799 4.350 -0.004 0.000 0.273 403 E C -1.291 175.419 176.600 0.183 0.000 0.903 403 E CA -1.179 55.195 56.400 -0.043 0.000 0.764 403 E CB 3.330 33.038 29.700 0.013 0.000 1.252 403 E HN 0.146 nan 8.360 nan 0.000 0.446 404 V N 3.506 123.399 119.914 -0.036 0.000 2.488 404 V HA 0.011 4.129 4.120 -0.004 0.000 0.277 404 V C 1.205 177.389 176.094 0.151 0.000 1.046 404 V CA -0.003 62.375 62.300 0.131 0.000 0.986 404 V CB 0.559 32.354 31.823 -0.047 0.000 0.989 404 V HN 0.689 nan 8.190 nan 0.000 0.475 405 I N 3.326 124.016 120.570 0.200 0.000 2.333 405 I HA 0.214 4.382 4.170 -0.004 0.000 0.246 405 I C 1.126 177.360 176.117 0.195 0.000 1.106 405 I CA 1.272 62.680 61.300 0.181 0.000 1.411 405 I CB -0.726 37.325 38.000 0.085 0.000 1.082 405 I HN 0.748 nan 8.210 nan 0.000 0.420 406 G N 0.572 109.491 108.800 0.198 0.000 2.632 406 G HA2 0.524 4.482 3.960 -0.004 0.000 0.292 406 G HA3 0.524 4.482 3.960 -0.004 0.000 0.292 406 G C -1.255 173.750 174.900 0.175 0.000 1.465 406 G CA -0.570 44.643 45.100 0.189 0.000 0.824 406 G HN -0.039 nan 8.290 nan 0.000 0.509 407 I N 1.620 122.234 120.570 0.074 0.000 2.325 407 I HA 0.243 4.411 4.170 -0.004 0.000 0.291 407 I C 0.651 176.742 176.117 -0.044 0.000 1.019 407 I CA -0.605 60.637 61.300 -0.096 0.000 1.302 407 I CB 1.774 39.423 38.000 -0.584 0.000 1.401 407 I HN 0.494 nan 8.210 nan 0.000 0.485 408 E N 4.895 125.118 120.200 0.039 0.000 2.251 408 E HA 0.312 4.659 4.350 -0.004 0.000 0.194 408 E C 0.208 176.759 176.600 -0.082 0.000 0.964 408 E CA 0.245 56.696 56.400 0.085 0.000 0.868 408 E CB 0.665 30.495 29.700 0.217 0.000 0.828 408 E HN 0.690 nan 8.360 nan 0.000 0.481 409 A N 0.362 123.049 122.820 -0.221 0.000 2.597 409 A HA 0.594 4.912 4.320 -0.004 0.000 0.292 409 A C -2.038 175.475 177.584 -0.120 0.000 1.057 409 A CA -0.667 51.178 52.037 -0.319 0.000 0.674 409 A CB 1.111 19.482 19.000 -1.047 0.000 1.278 409 A HN 0.037 nan 8.150 nan 0.000 0.416 410 L N 1.265 122.463 121.223 -0.042 0.000 2.470 410 L HA 0.804 5.142 4.340 -0.004 0.000 0.268 410 L C 0.106 177.011 176.870 0.058 0.000 0.964 410 L CA 0.525 55.372 54.840 0.011 0.000 0.839 410 L CB 2.109 44.193 42.059 0.043 0.000 1.276 410 L HN 1.260 nan 8.230 nan 0.000 0.403 411 T N -0.296 114.311 114.554 0.087 0.000 2.927 411 T HA 0.420 4.767 4.350 -0.004 0.000 0.286 411 T C 1.071 175.814 174.700 0.071 0.000 1.040 411 T CA 0.045 62.207 62.100 0.103 0.000 1.010 411 T CB 1.288 70.259 68.868 0.171 0.000 1.177 411 T HN 0.672 nan 8.240 nan 0.000 0.546 412 S N -0.333 115.408 115.700 0.069 0.000 2.442 412 S HA -0.104 4.364 4.470 -0.004 0.000 0.236 412 S C 0.753 175.335 174.600 -0.030 0.000 1.007 412 S CA 1.468 59.694 58.200 0.042 0.000 0.965 412 S CB -0.692 62.537 63.200 0.048 0.000 0.773 412 S HN 0.805 nan 8.310 nan 0.000 0.504 413 D N -1.133 119.230 120.400 -0.061 0.000 2.431 413 D HA 0.273 4.911 4.640 -0.004 0.000 0.227 413 D C -0.446 175.494 176.300 -0.601 0.000 1.030 413 D CA 0.365 54.189 54.000 -0.294 0.000 0.897 413 D CB 0.321 40.973 40.800 -0.247 0.000 1.058 413 D HN 0.422 nan 8.370 nan 0.000 0.500 414 Y N 0.079 120.318 120.300 -0.101 0.000 2.545 414 Y HA 0.521 5.069 4.550 -0.004 0.000 0.348 414 Y C -0.935 174.783 175.900 -0.303 0.000 1.002 414 Y CA -1.197 56.749 58.100 -0.256 0.000 1.039 414 Y CB 2.052 40.233 38.460 -0.464 0.000 1.271 414 Y HN -0.225 nan 8.280 nan 0.000 0.467 415 L N 2.819 123.915 121.223 -0.212 0.000 2.333 415 L HA 0.605 4.943 4.340 -0.004 0.000 0.280 415 L C -1.878 174.874 176.870 -0.196 0.000 1.004 415 L CA -0.626 54.086 54.840 -0.214 0.000 0.820 415 L CB 0.826 42.668 42.059 -0.361 0.000 1.247 415 L HN 0.603 nan 8.230 nan 0.000 0.416 416 Y N 4.908 125.146 120.300 -0.103 0.000 2.341 416 Y HA 0.545 5.093 4.550 -0.003 0.000 0.337 416 Y C -0.432 175.479 175.900 0.018 0.000 1.014 416 Y CA -0.466 57.580 58.100 -0.090 0.000 1.111 416 Y CB 1.259 39.594 38.460 -0.209 0.000 1.194 416 Y HN 0.525 nan 8.280 nan 0.000 0.462 417 Y N 0.799 121.176 120.300 0.127 0.000 2.615 417 Y HA 0.798 5.345 4.550 -0.004 0.000 0.341 417 Y C -1.812 174.186 175.900 0.164 0.000 1.089 417 Y CA -1.819 56.345 58.100 0.107 0.000 1.049 417 Y CB 1.122 39.619 38.460 0.061 0.000 1.296 417 Y HN 0.288 nan 8.280 nan 0.000 0.470 418 I N 3.173 123.909 120.570 0.277 0.000 2.412 418 I HA 0.604 4.772 4.170 -0.004 0.000 0.296 418 I C -0.021 176.278 176.117 0.303 0.000 0.987 418 I CA -0.256 61.155 61.300 0.186 0.000 1.180 418 I CB 1.377 39.442 38.000 0.108 0.000 1.340 418 I HN 0.910 nan 8.210 nan 0.000 0.455 419 S N 4.062 119.914 115.700 0.253 0.000 2.705 419 S HA 0.516 4.984 4.470 -0.004 0.000 0.280 419 S C -0.424 174.237 174.600 0.102 0.000 1.174 419 S CA -0.768 57.571 58.200 0.232 0.000 0.823 419 S CB 1.935 65.302 63.200 0.278 0.000 1.162 419 S HN 0.558 nan 8.310 nan 0.000 0.487 420 N N -0.523 118.236 118.700 0.098 0.000 2.389 420 N HA 0.180 4.918 4.740 -0.004 0.000 0.260 420 N C 0.428 175.925 175.510 -0.023 0.000 1.191 420 N CA -0.386 52.678 53.050 0.023 0.000 0.885 420 N CB 0.391 38.879 38.487 0.002 0.000 1.162 420 N HN 0.804 nan 8.380 nan 0.000 0.512 421 E N -0.098 119.941 120.200 -0.270 0.000 2.107 421 E HA -0.177 4.171 4.350 -0.004 0.000 0.191 421 E C -0.359 176.081 176.600 -0.267 0.000 0.982 421 E CA 0.170 56.153 56.400 -0.695 0.000 0.809 421 E CB -0.052 28.559 29.700 -1.816 0.000 0.756 421 E HN 0.394 nan 8.360 nan 0.000 0.459 422 Y N 2.366 122.564 120.300 -0.170 0.000 2.865 422 Y HA -0.175 4.373 4.550 -0.004 0.000 0.338 422 Y C 0.385 176.247 175.900 -0.063 0.000 1.269 422 Y CA 0.979 59.035 58.100 -0.072 0.000 1.585 422 Y CB -0.069 38.381 38.460 -0.017 0.000 1.224 422 Y HN 0.096 nan 8.280 nan 0.000 0.554 423 K N 3.397 123.511 120.400 -0.476 0.000 3.193 423 K HA -0.257 4.061 4.320 -0.004 0.000 0.294 423 K C 0.858 177.388 176.600 -0.117 0.000 1.185 423 K CA 0.807 56.877 56.287 -0.361 0.000 0.866 423 K CB -1.853 30.375 32.500 -0.454 0.000 1.227 423 K HN 1.292 nan 8.250 nan 0.000 0.467 424 G N 0.694 109.442 108.800 -0.086 0.000 2.198 424 G HA2 -0.325 3.633 3.960 -0.004 0.000 0.260 424 G HA3 -0.325 3.633 3.960 -0.004 0.000 0.260 424 G C 0.002 174.886 174.900 -0.026 0.000 1.025 424 G CA 0.726 45.826 45.100 -0.000 0.000 0.769 424 G HN 0.326 nan 8.290 nan 0.000 0.507 425 M N 0.989 120.503 119.600 -0.143 0.000 2.080 425 M HA 0.235 4.713 4.480 -0.004 0.000 0.350 425 M C -0.880 175.193 176.300 -0.378 0.000 1.143 425 M CA -2.028 53.029 55.300 -0.406 0.000 1.064 425 M CB 1.573 34.013 32.600 -0.267 0.000 1.429 425 M HN -0.042 nan 8.290 nan 0.000 0.418 426 P HA -0.090 nan 4.420 nan 0.000 0.225 426 P C 1.029 178.194 177.300 -0.226 0.000 1.148 426 P CA 1.197 64.140 63.100 -0.262 0.000 0.779 426 P CB 0.136 31.694 31.700 -0.237 0.000 0.780 427 G N -0.641 107.952 108.800 -0.343 0.000 3.042 427 G HA2 0.264 4.222 3.960 -0.004 0.000 0.212 427 G HA3 0.264 4.222 3.960 -0.004 0.000 0.212 427 G C 0.730 175.630 174.900 0.001 0.000 1.166 427 G CA 0.162 45.187 45.100 -0.124 0.000 0.767 427 G HN 0.439 nan 8.290 nan 0.000 0.546 428 G N -0.348 108.395 108.800 -0.095 0.000 2.509 428 G HA2 0.659 4.617 3.960 -0.004 0.000 0.328 428 G HA3 0.659 4.617 3.960 -0.004 0.000 0.328 428 G C -0.864 173.894 174.900 -0.236 0.000 1.194 428 G CA -0.785 44.281 45.100 -0.056 0.000 0.967 428 G HN 0.084 nan 8.290 nan 0.000 0.488 429 R N 0.816 121.141 120.500 -0.292 0.000 2.522 429 R HA 0.390 4.728 4.340 -0.004 0.000 0.283 429 R C -1.358 174.898 176.300 -0.073 0.000 1.074 429 R CA -0.757 55.156 56.100 -0.311 0.000 0.925 429 R CB 2.017 31.884 30.300 -0.721 0.000 1.205 429 R HN 0.607 nan 8.270 nan 0.000 0.436 430 N N 1.471 120.158 118.700 -0.021 0.000 2.357 430 N HA 0.371 5.109 4.740 -0.004 0.000 0.284 430 N C -1.271 174.101 175.510 -0.229 0.000 1.236 430 N CA -0.845 52.107 53.050 -0.163 0.000 0.774 430 N CB 2.650 40.924 38.487 -0.354 0.000 1.534 430 N HN 0.240 nan 8.380 nan 0.000 0.478 431 L N 2.061 122.993 121.223 -0.485 0.000 2.276 431 L HA 0.451 4.789 4.340 -0.004 0.000 0.286 431 L C -1.388 175.086 176.870 -0.660 0.000 1.061 431 L CA -0.013 54.576 54.840 -0.417 0.000 0.807 431 L CB -0.179 41.640 42.059 -0.400 0.000 1.177 431 L HN 0.399 nan 8.230 nan 0.000 0.429 432 Y N 3.645 123.604 120.300 -0.568 0.000 2.524 432 Y HA 0.555 5.103 4.550 -0.004 0.000 0.344 432 Y C -0.248 175.335 175.900 -0.530 0.000 1.012 432 Y CA -0.792 56.919 58.100 -0.648 0.000 1.068 432 Y CB 1.669 39.517 38.460 -1.020 0.000 1.249 432 Y HN 0.477 nan 8.280 nan 0.000 0.468 433 K N 3.373 123.640 120.400 -0.222 0.000 2.502 433 K HA 0.572 4.890 4.320 -0.004 0.000 0.254 433 K C -1.851 174.709 176.600 -0.067 0.000 0.947 433 K CA -0.466 55.635 56.287 -0.310 0.000 0.834 433 K CB 1.175 33.417 32.500 -0.429 0.000 1.112 433 K HN 0.807 nan 8.250 nan 0.000 0.427 434 I N 3.342 123.930 120.570 0.030 0.000 2.404 434 I HA 0.215 4.383 4.170 -0.004 0.000 0.293 434 I C -0.573 175.631 176.117 0.146 0.000 0.992 434 I CA -0.690 60.700 61.300 0.150 0.000 1.149 434 I CB 1.693 39.816 38.000 0.205 0.000 1.315 434 I HN 0.726 nan 8.210 nan 0.000 0.446 435 Q N 6.148 126.032 119.800 0.141 0.000 2.293 435 Q HA 0.193 4.531 4.340 -0.004 0.000 0.263 435 Q C 0.218 176.145 176.000 -0.121 0.000 1.002 435 Q CA -0.210 55.521 55.803 -0.120 0.000 0.910 435 Q CB 1.219 29.919 28.738 -0.063 0.000 1.185 435 Q HN 0.843 nan 8.270 nan 0.000 0.401 436 L N 2.482 123.550 121.223 -0.258 0.000 2.141 436 L HA -0.147 4.191 4.340 -0.004 0.000 0.209 436 L C 2.023 178.744 176.870 -0.249 0.000 1.094 436 L CA 1.358 56.116 54.840 -0.137 0.000 0.763 436 L CB -0.356 41.605 42.059 -0.163 0.000 0.908 436 L HN 0.708 nan 8.230 nan 0.000 0.437 437 S N -2.699 112.834 115.700 -0.278 0.000 2.593 437 S HA 0.004 4.472 4.470 -0.004 0.000 0.217 437 S C 0.394 174.813 174.600 -0.301 0.000 0.966 437 S CA -0.149 57.888 58.200 -0.273 0.000 0.914 437 S CB 0.091 63.175 63.200 -0.195 0.000 0.776 437 S HN 0.333 nan 8.310 nan 0.000 0.523 438 D N -0.021 120.201 120.400 -0.297 0.000 2.474 438 D HA 0.175 4.813 4.640 -0.004 0.000 0.234 438 D C -0.449 175.806 176.300 -0.076 0.000 1.323 438 D CA -0.476 53.394 54.000 -0.217 0.000 0.915 438 D CB -0.094 40.641 40.800 -0.108 0.000 1.487 438 D HN -0.022 nan 8.370 nan 0.000 0.524 439 Y N 0.550 120.832 120.300 -0.031 0.000 2.556 439 Y HA -0.128 4.420 4.550 -0.004 0.000 0.290 439 Y C 2.586 178.495 175.900 0.015 0.000 1.149 439 Y CA 1.538 59.633 58.100 -0.008 0.000 1.329 439 Y CB -0.957 37.498 38.460 -0.008 0.000 0.975 439 Y HN 0.397 nan 8.280 nan 0.000 0.561 440 T N -2.849 111.784 114.554 0.133 0.000 3.148 440 T HA 0.008 4.356 4.350 -0.004 0.000 0.253 440 T C 0.594 175.345 174.700 0.084 0.000 1.134 440 T CA 0.090 62.246 62.100 0.094 0.000 1.051 440 T CB -0.105 68.793 68.868 0.051 0.000 0.959 440 T HN -0.129 nan 8.240 nan 0.000 0.525 441 K N 2.385 122.840 120.400 0.092 0.000 2.296 441 K HA 0.509 4.827 4.320 -0.004 0.000 0.257 441 K C -1.224 175.446 176.600 0.118 0.000 1.088 441 K CA -0.377 55.963 56.287 0.088 0.000 0.980 441 K CB 1.382 33.927 32.500 0.074 0.000 1.430 441 K HN 0.162 nan 8.250 nan 0.000 0.441 442 V N 2.456 122.437 119.914 0.111 0.000 2.407 442 V HA 0.312 4.430 4.120 -0.004 0.000 0.291 442 V C -0.087 176.062 176.094 0.091 0.000 1.018 442 V CA -0.702 61.676 62.300 0.129 0.000 0.842 442 V CB 1.894 33.821 31.823 0.172 0.000 0.996 442 V HN 0.528 nan 8.190 nan 0.000 0.426 443 T N 3.399 117.974 114.554 0.035 0.000 2.823 443 T HA 0.269 4.617 4.350 -0.004 0.000 0.279 443 T C -0.333 174.285 174.700 -0.137 0.000 0.998 443 T CA -0.277 61.797 62.100 -0.044 0.000 0.994 443 T CB 1.388 70.197 68.868 -0.098 0.000 0.960 443 T HN 0.758 nan 8.240 nan 0.000 0.448 444 C N 5.471 124.622 119.300 -0.249 0.000 2.281 444 C HA 0.424 4.882 4.460 -0.004 0.000 0.336 444 C C 1.734 176.400 174.990 -0.540 0.000 1.217 444 C CA -0.654 57.962 59.018 -0.670 0.000 1.730 444 C CB -2.017 25.253 27.740 -0.783 0.000 2.338 444 C HN 0.996 nan 8.230 nan 0.000 0.521 445 L N 4.518 125.406 121.223 -0.558 0.000 2.313 445 L HA 0.025 4.363 4.340 -0.004 0.000 0.214 445 L C 2.276 178.832 176.870 -0.524 0.000 1.119 445 L CA 1.338 55.918 54.840 -0.432 0.000 0.809 445 L CB -0.257 41.588 42.059 -0.356 0.000 0.933 445 L HN 0.892 nan 8.230 nan 0.000 0.449 446 S N -3.225 112.044 115.700 -0.719 0.000 2.549 446 S HA -0.010 4.458 4.470 -0.004 0.000 0.225 446 S C 1.909 176.084 174.600 -0.708 0.000 1.039 446 S CA -0.095 57.572 58.200 -0.888 0.000 0.942 446 S CB -0.354 61.886 63.200 -1.600 0.000 0.881 446 S HN 0.300 nan 8.310 nan 0.000 0.503 447 C N 2.237 121.102 119.300 -0.725 0.000 2.363 447 C HA -0.066 4.392 4.460 -0.004 0.000 0.274 447 C C 2.499 177.184 174.990 -0.509 0.000 1.183 447 C CA 1.570 60.091 59.018 -0.828 0.000 1.771 447 C CB -1.136 25.933 27.740 -1.119 0.000 2.059 447 C HN 0.589 nan 8.230 nan 0.000 0.455 448 E N 0.049 120.046 120.200 -0.337 0.000 2.479 448 E HA 0.170 4.518 4.350 -0.004 0.000 0.193 448 E C 1.864 178.406 176.600 -0.096 0.000 1.049 448 E CA -0.035 56.273 56.400 -0.154 0.000 0.870 448 E CB -0.290 29.344 29.700 -0.110 0.000 0.944 448 E HN 0.574 nan 8.360 nan 0.000 0.492 449 L N 0.186 121.341 121.223 -0.113 0.000 2.079 449 L HA -0.088 4.250 4.340 -0.004 0.000 0.210 449 L C 0.879 177.755 176.870 0.009 0.000 1.081 449 L CA 0.919 55.734 54.840 -0.042 0.000 0.752 449 L CB -0.001 42.040 42.059 -0.029 0.000 0.896 449 L HN 0.126 nan 8.230 nan 0.000 0.433 450 N N -1.591 117.128 118.700 0.031 0.000 3.211 450 N HA 0.042 4.780 4.740 -0.004 0.000 0.183 450 N C -2.112 173.419 175.510 0.035 0.000 1.447 450 N CA -0.662 52.403 53.050 0.026 0.000 0.840 450 N CB 0.630 39.128 38.487 0.018 0.000 1.611 450 N HN -0.193 nan 8.380 nan 0.000 0.610 451 P HA -0.143 nan 4.420 nan 0.000 0.218 451 P C 0.614 177.958 177.300 0.074 0.000 1.146 451 P CA 1.313 64.462 63.100 0.081 0.000 0.813 451 P CB 0.630 32.399 31.700 0.117 0.000 0.778 452 E N -0.526 119.698 120.200 0.039 0.000 2.170 452 E HA -0.059 4.289 4.350 -0.004 0.000 0.191 452 E C 2.342 178.940 176.600 -0.004 0.000 0.981 452 E CA 0.351 56.765 56.400 0.024 0.000 0.830 452 E CB -0.094 29.613 29.700 0.013 0.000 0.775 452 E HN 0.236 nan 8.360 nan 0.000 0.470 453 R N 0.023 120.508 120.500 -0.025 0.000 2.237 453 R HA 0.101 4.439 4.340 -0.004 0.000 0.195 453 R C -0.205 176.033 176.300 -0.103 0.000 0.956 453 R CA 0.372 56.432 56.100 -0.068 0.000 1.029 453 R CB 0.553 30.805 30.300 -0.080 0.000 0.972 453 R HN 0.027 nan 8.270 nan 0.000 0.493 454 c N 0.970 119.515 118.600 -0.091 0.000 2.383 454 c HA 0.415 4.983 4.570 -0.004 0.000 0.330 454 c C 0.064 174.088 174.090 -0.110 0.000 1.168 454 c CA -0.715 55.483 56.329 -0.218 0.000 1.374 454 c CB 1.447 43.753 42.510 -0.340 0.000 2.014 454 c HN 0.499 nan 8.230 nan 0.000 0.439 455 Q N 0.372 120.116 119.800 -0.094 0.000 2.113 455 Q HA 0.172 4.510 4.340 -0.004 0.000 0.225 455 Q C -0.955 175.086 176.000 0.068 0.000 0.786 455 Q CA 0.100 55.936 55.803 0.055 0.000 0.989 455 Q CB 1.459 30.262 28.738 0.108 0.000 1.174 455 Q HN 0.789 nan 8.270 nan 0.000 0.470 456 Y N 0.470 120.644 120.300 -0.209 0.000 2.402 456 Y HA 0.366 4.914 4.550 -0.004 0.000 0.325 456 Y C -1.489 174.260 175.900 -0.251 0.000 1.009 456 Y CA -1.032 56.984 58.100 -0.139 0.000 1.278 456 Y CB 0.724 39.117 38.460 -0.112 0.000 1.105 456 Y HN -0.082 nan 8.280 nan 0.000 0.476 457 Y N 1.963 122.216 120.300 -0.078 0.000 2.528 457 Y HA 0.685 5.233 4.550 -0.004 0.000 0.335 457 Y C 0.195 176.067 175.900 -0.048 0.000 1.093 457 Y CA -0.528 57.534 58.100 -0.063 0.000 1.134 457 Y CB 2.366 40.747 38.460 -0.133 0.000 1.253 457 Y HN 0.433 nan 8.280 nan 0.000 0.478 458 S N 0.784 116.605 115.700 0.202 0.000 2.588 458 S HA 0.807 5.275 4.470 -0.004 0.000 0.275 458 S C -1.974 172.711 174.600 0.142 0.000 1.130 458 S CA -0.591 57.700 58.200 0.152 0.000 0.855 458 S CB 1.502 64.799 63.200 0.161 0.000 1.116 458 S HN 0.550 nan 8.310 nan 0.000 0.472 459 V N 1.944 121.937 119.914 0.131 0.000 3.078 459 V HA 0.906 5.024 4.120 -0.004 0.000 0.311 459 V C -1.095 175.094 176.094 0.159 0.000 1.138 459 V CA -0.288 62.065 62.300 0.088 0.000 1.007 459 V CB 2.367 34.166 31.823 -0.041 0.000 1.045 459 V HN 0.873 nan 8.190 nan 0.000 0.432 460 S N 4.312 120.098 115.700 0.144 0.000 2.746 460 S HA 0.636 5.104 4.470 -0.004 0.000 0.273 460 S C -1.188 173.604 174.600 0.320 0.000 1.172 460 S CA -0.399 57.988 58.200 0.312 0.000 1.116 460 S CB 0.277 63.694 63.200 0.362 0.000 1.057 460 S HN 0.496 nan 8.310 nan 0.000 0.483 461 F N 3.065 123.098 119.950 0.139 0.000 2.382 461 F HA 0.429 4.954 4.527 -0.004 0.000 0.331 461 F C 1.535 176.976 175.800 -0.598 0.000 1.121 461 F CA -0.193 57.731 58.000 -0.126 0.000 1.183 461 F CB 1.166 40.054 39.000 -0.186 0.000 1.207 461 F HN 0.627 nan 8.300 nan 0.000 0.555 462 S N 1.866 116.981 115.700 -0.975 0.000 2.633 462 S HA 0.140 4.608 4.470 -0.004 0.000 0.257 462 S C 1.297 175.636 174.600 -0.434 0.000 1.265 462 S CA -0.707 56.585 58.200 -1.514 0.000 0.980 462 S CB 0.571 63.019 63.200 -1.253 0.000 1.017 462 S HN 0.515 nan 8.310 nan 0.000 0.577 463 K N 0.848 121.133 120.400 -0.191 0.000 2.044 463 K HA -0.051 4.267 4.320 -0.004 0.000 0.210 463 K C 0.994 177.582 176.600 -0.020 0.000 1.049 463 K CA 1.516 57.789 56.287 -0.024 0.000 0.927 463 K CB -0.502 32.014 32.500 0.027 0.000 0.713 463 K HN 0.656 nan 8.250 nan 0.000 0.443 464 E N -0.689 119.485 120.200 -0.042 0.000 2.585 464 E HA 0.259 4.607 4.350 -0.004 0.000 0.206 464 E C -0.007 176.568 176.600 -0.042 0.000 1.007 464 E CA 0.011 56.401 56.400 -0.018 0.000 1.028 464 E CB 0.491 30.195 29.700 0.007 0.000 1.087 464 E HN 0.219 nan 8.360 nan 0.000 0.455 465 A N 1.158 123.938 122.820 -0.067 0.000 2.816 465 A HA -0.329 3.988 4.320 -0.004 0.000 0.270 465 A C 1.580 179.153 177.584 -0.019 0.000 1.413 465 A CA 1.736 53.762 52.037 -0.019 0.000 0.866 465 A CB -1.967 16.927 19.000 -0.176 0.000 1.032 465 A HN 0.293 nan 8.150 nan 0.000 0.642 466 K N -1.926 118.388 120.400 -0.142 0.000 2.217 466 K HA 0.055 4.373 4.320 -0.004 0.000 0.202 466 K C 0.002 176.237 176.600 -0.608 0.000 1.051 466 K CA 1.413 57.497 56.287 -0.338 0.000 0.952 466 K CB -0.033 32.242 32.500 -0.376 0.000 0.736 466 K HN 0.672 nan 8.250 nan 0.000 0.453 467 Y N -1.027 119.192 120.300 -0.135 0.000 2.609 467 Y HA 0.315 4.863 4.550 -0.003 0.000 0.342 467 Y C -1.063 174.730 175.900 -0.177 0.000 1.058 467 Y CA -1.346 56.651 58.100 -0.172 0.000 1.055 467 Y CB 1.716 40.074 38.460 -0.170 0.000 1.292 467 Y HN -0.032 nan 8.280 nan 0.000 0.476 468 Y N -0.918 119.349 120.300 -0.056 0.000 2.482 468 Y HA 0.491 5.039 4.550 -0.004 0.000 0.334 468 Y C -1.181 174.718 175.900 -0.001 0.000 1.091 468 Y CA -1.373 56.551 58.100 -0.293 0.000 1.027 468 Y CB 1.369 39.148 38.460 -1.135 0.000 1.306 468 Y HN 0.604 nan 8.280 nan 0.000 0.446 469 Q N 4.382 124.325 119.800 0.239 0.000 2.274 469 Q HA 0.532 4.870 4.340 -0.004 0.000 0.256 469 Q C -1.663 174.443 176.000 0.177 0.000 0.927 469 Q CA -0.632 55.266 55.803 0.159 0.000 0.939 469 Q CB 1.162 29.955 28.738 0.091 0.000 1.201 469 Q HN 0.966 nan 8.270 nan 0.000 0.426 470 L N 4.273 125.624 121.223 0.213 0.000 2.309 470 L HA 0.515 4.853 4.340 -0.004 0.000 0.282 470 L C -0.079 176.877 176.870 0.143 0.000 1.036 470 L CA -0.519 54.441 54.840 0.200 0.000 0.806 470 L CB 1.478 43.665 42.059 0.213 0.000 1.220 470 L HN 0.605 nan 8.230 nan 0.000 0.429 471 R N 3.361 123.926 120.500 0.109 0.000 2.310 471 R HA 0.302 4.640 4.340 -0.004 0.000 0.316 471 R C -0.918 175.259 176.300 -0.205 0.000 1.004 471 R CA -0.479 55.534 56.100 -0.145 0.000 0.900 471 R CB 1.082 31.368 30.300 -0.024 0.000 1.152 471 R HN 0.720 nan 8.270 nan 0.000 0.513 472 c N 3.974 122.330 118.600 -0.408 0.000 2.415 472 c HA 0.380 4.948 4.570 -0.004 0.000 0.369 472 c C 1.390 175.232 174.090 -0.415 0.000 1.279 472 c CA -0.105 55.869 56.329 -0.591 0.000 1.886 472 c CB 0.336 42.491 42.510 -0.592 0.000 2.468 472 c HN 0.958 nan 8.230 nan 0.000 0.553 473 S N 3.804 119.345 115.700 -0.264 0.000 2.629 473 S HA 0.591 5.059 4.470 -0.004 0.000 0.236 473 S C 0.399 174.943 174.600 -0.093 0.000 1.010 473 S CA 0.267 58.377 58.200 -0.149 0.000 0.981 473 S CB 0.067 63.217 63.200 -0.084 0.000 0.919 473 S HN 1.865 nan 8.310 nan 0.000 0.514 474 G N 1.692 110.421 108.800 -0.119 0.000 2.316 474 G HA2 0.405 4.363 3.960 -0.004 0.000 0.296 474 G HA3 0.405 4.363 3.960 -0.004 0.000 0.296 474 G C -3.016 171.847 174.900 -0.062 0.000 1.399 474 G CA -0.495 44.578 45.100 -0.046 0.000 0.833 474 G HN -0.133 nan 8.290 nan 0.000 0.565 475 P HA 0.128 nan 4.420 nan 0.000 0.233 475 P C 1.218 178.520 177.300 0.004 0.000 1.167 475 P CA 1.261 64.378 63.100 0.028 0.000 0.770 475 P CB 0.452 32.172 31.700 0.033 0.000 0.837 476 G N 0.338 109.072 108.800 -0.111 0.000 2.510 476 G HA2 0.428 4.386 3.960 -0.004 0.000 0.280 476 G HA3 0.428 4.386 3.960 -0.004 0.000 0.280 476 G C -0.368 174.264 174.900 -0.446 0.000 1.386 476 G CA -0.790 44.159 45.100 -0.252 0.000 1.047 476 G HN 0.041 nan 8.290 nan 0.000 0.527 477 L N 1.288 122.181 121.223 -0.549 0.000 2.485 477 L HA 0.151 4.489 4.340 -0.004 0.000 0.275 477 L C -1.839 174.876 176.870 -0.259 0.000 1.207 477 L CA -1.193 53.324 54.840 -0.537 0.000 0.855 477 L CB 0.633 42.459 42.059 -0.388 0.000 1.114 477 L HN 0.236 nan 8.230 nan 0.000 0.485 478 P HA 0.002 nan 4.420 nan 0.000 0.265 478 P C -0.966 176.248 177.300 -0.144 0.000 1.187 478 P CA 0.054 63.065 63.100 -0.148 0.000 0.766 478 P CB 0.530 32.230 31.700 -0.000 0.000 0.820 479 L N 5.085 126.129 121.223 -0.298 0.000 2.406 479 L HA 0.479 4.817 4.340 -0.004 0.000 0.272 479 L C -1.736 174.957 176.870 -0.295 0.000 0.980 479 L CA -0.634 54.104 54.840 -0.170 0.000 0.831 479 L CB 0.953 42.936 42.059 -0.126 0.000 1.253 479 L HN 0.216 nan 8.230 nan 0.000 0.406 480 Y N 2.759 123.019 120.300 -0.067 0.000 2.328 480 Y HA 0.730 5.278 4.550 -0.003 0.000 0.337 480 Y C 0.491 176.279 175.900 -0.186 0.000 0.966 480 Y CA -0.568 57.470 58.100 -0.102 0.000 1.136 480 Y CB 1.987 40.367 38.460 -0.133 0.000 1.170 480 Y HN 0.667 nan 8.280 nan 0.000 0.470 481 T N 0.868 115.405 114.554 -0.028 0.000 2.906 481 T HA 0.707 5.055 4.350 -0.004 0.000 0.295 481 T C -1.419 173.101 174.700 -0.300 0.000 1.061 481 T CA -0.885 61.108 62.100 -0.178 0.000 1.000 481 T CB 1.944 70.758 68.868 -0.090 0.000 1.103 481 T HN 0.384 nan 8.240 nan 0.000 0.486 482 L N 2.119 123.029 121.223 -0.521 0.000 2.325 482 L HA 0.615 4.953 4.340 -0.004 0.000 0.278 482 L C -0.678 175.726 176.870 -0.776 0.000 1.023 482 L CA -0.292 54.277 54.840 -0.451 0.000 0.811 482 L CB 1.057 42.937 42.059 -0.299 0.000 1.249 482 L HN 0.811 nan 8.230 nan 0.000 0.431 483 H N 1.495 120.337 119.070 -0.380 0.000 2.928 483 H HA 0.383 4.937 4.556 -0.004 0.000 0.371 483 H C -1.092 173.978 175.328 -0.430 0.000 1.186 483 H CA -0.816 54.901 56.048 -0.551 0.000 1.134 483 H CB 2.202 31.325 29.762 -1.066 0.000 1.824 483 H HN 0.497 nan 8.280 nan 0.000 0.554 484 S N 0.536 116.156 115.700 -0.133 0.000 2.429 484 S HA 0.164 4.631 4.470 -0.004 0.000 0.302 484 S C 0.749 175.297 174.600 -0.088 0.000 1.115 484 S CA -0.549 57.629 58.200 -0.036 0.000 1.095 484 S CB 0.918 64.148 63.200 0.049 0.000 0.987 484 S HN 0.592 nan 8.310 nan 0.000 0.474 485 S N 3.796 119.452 115.700 -0.074 0.000 2.402 485 S HA -0.096 4.372 4.470 -0.004 0.000 0.229 485 S C 1.916 176.544 174.600 0.048 0.000 1.021 485 S CA 1.015 59.291 58.200 0.127 0.000 0.974 485 S CB -0.340 62.941 63.200 0.135 0.000 0.800 485 S HN 0.712 nan 8.310 nan 0.000 0.484 486 V N 3.768 123.659 119.914 -0.040 0.000 2.392 486 V HA -0.182 3.936 4.120 -0.004 0.000 0.249 486 V C 1.242 177.336 176.094 0.000 0.000 1.059 486 V CA 2.214 64.504 62.300 -0.017 0.000 1.051 486 V CB -0.484 31.315 31.823 -0.040 0.000 0.658 486 V HN 0.828 nan 8.190 nan 0.000 0.455 487 N N -3.064 115.636 118.700 0.000 0.000 2.143 487 N HA 0.054 4.792 4.740 -0.004 0.000 0.229 487 N C -0.338 175.177 175.510 0.008 0.000 1.294 487 N CA 0.296 53.347 53.050 0.002 0.000 0.883 487 N CB 0.547 39.036 38.487 0.004 0.000 1.148 487 N HN 0.309 nan 8.380 nan 0.000 0.511 488 D N 1.073 121.493 120.400 0.035 0.000 2.737 488 D HA -0.123 4.514 4.640 -0.004 0.000 0.233 488 D C -0.558 175.760 176.300 0.029 0.000 1.155 488 D CA 1.180 55.218 54.000 0.064 0.000 0.667 488 D CB -0.391 40.434 40.800 0.043 0.000 1.060 488 D HN 0.415 nan 8.370 nan 0.000 0.427 489 K N 0.126 120.538 120.400 0.020 0.000 2.110 489 K HA 0.497 4.815 4.320 -0.004 0.000 0.263 489 K C 0.852 177.481 176.600 0.049 0.000 0.975 489 K CA -0.517 55.787 56.287 0.028 0.000 0.895 489 K CB 1.395 33.901 32.500 0.009 0.000 1.060 489 K HN 0.097 nan 8.250 nan 0.000 0.448 490 G N 2.489 111.329 108.800 0.066 0.000 2.354 490 G HA2 0.187 4.145 3.960 -0.004 0.000 0.266 490 G HA3 0.187 4.145 3.960 -0.004 0.000 0.266 490 G C 0.941 175.752 174.900 -0.149 0.000 1.242 490 G CA -0.302 44.768 45.100 -0.050 0.000 0.923 490 G HN 0.521 nan 8.290 nan 0.000 0.476 491 L N 1.912 122.981 121.223 -0.256 0.000 2.127 491 L HA 0.273 4.611 4.340 -0.004 0.000 0.203 491 L C 1.638 178.409 176.870 -0.166 0.000 1.080 491 L CA 0.870 55.610 54.840 -0.167 0.000 0.768 491 L CB -0.184 41.778 42.059 -0.161 0.000 0.924 491 L HN 0.803 nan 8.230 nan 0.000 0.444 492 R N -2.418 117.936 120.500 -0.243 0.000 3.012 492 R HA 0.307 4.645 4.340 -0.004 0.000 0.287 492 R C -1.742 174.413 176.300 -0.243 0.000 0.990 492 R CA -0.919 55.065 56.100 -0.193 0.000 0.839 492 R CB 0.966 31.177 30.300 -0.149 0.000 1.317 492 R HN -0.286 nan 8.270 nan 0.000 0.518 493 V N 2.665 122.470 119.914 -0.182 0.000 2.498 493 V HA 0.223 4.341 4.120 -0.004 0.000 0.279 493 V C 1.194 177.146 176.094 -0.237 0.000 1.048 493 V CA -0.407 61.787 62.300 -0.176 0.000 0.967 493 V CB 1.256 33.018 31.823 -0.102 0.000 0.988 493 V HN 0.641 nan 8.190 nan 0.000 0.473 494 L N 2.332 123.354 121.223 -0.334 0.000 2.316 494 L HA 0.353 4.691 4.340 -0.004 0.000 0.207 494 L C 0.596 177.276 176.870 -0.318 0.000 1.070 494 L CA 0.576 55.056 54.840 -0.601 0.000 0.820 494 L CB 0.302 41.614 42.059 -1.244 0.000 0.992 494 L HN 0.678 nan 8.230 nan 0.000 0.466 495 E N -0.120 120.016 120.200 -0.106 0.000 2.343 495 E HA 0.088 4.436 4.350 -0.004 0.000 0.286 495 E C -1.125 175.547 176.600 0.120 0.000 0.915 495 E CA -0.274 56.161 56.400 0.058 0.000 0.784 495 E CB 1.126 30.885 29.700 0.098 0.000 1.251 495 E HN 0.146 nan 8.360 nan 0.000 0.407 496 D N 3.211 123.651 120.400 0.067 0.000 2.469 496 D HA 0.109 4.747 4.640 -0.004 0.000 0.213 496 D C -0.288 176.030 176.300 0.031 0.000 1.135 496 D CA -0.146 53.877 54.000 0.038 0.000 0.834 496 D CB 0.004 40.805 40.800 0.001 0.000 1.009 496 D HN 0.461 nan 8.370 nan 0.000 0.507 497 N N 0.590 119.326 118.700 0.059 0.000 2.747 497 N HA -0.201 4.537 4.740 -0.004 0.000 0.249 497 N C 1.027 176.549 175.510 0.021 0.000 1.107 497 N CA 0.894 53.973 53.050 0.048 0.000 0.707 497 N CB -1.451 37.058 38.487 0.037 0.000 1.054 497 N HN 0.468 nan 8.380 nan 0.000 0.555 498 S N -0.843 114.870 115.700 0.021 0.000 2.368 498 S HA -0.091 4.377 4.470 -0.004 0.000 0.225 498 S C 2.142 176.758 174.600 0.026 0.000 1.030 498 S CA 1.134 59.342 58.200 0.013 0.000 0.999 498 S CB -0.274 62.934 63.200 0.014 0.000 0.844 498 S HN 0.521 nan 8.310 nan 0.000 0.459 499 A N 2.226 125.071 122.820 0.042 0.000 1.873 499 A HA -0.040 4.278 4.320 -0.004 0.000 0.218 499 A C 2.288 179.916 177.584 0.072 0.000 1.193 499 A CA 1.855 53.926 52.037 0.056 0.000 0.629 499 A CB -1.031 18.006 19.000 0.062 0.000 0.826 499 A HN 0.550 nan 8.150 nan 0.000 0.447 500 L N 0.271 121.541 121.223 0.078 0.000 2.056 500 L HA -0.131 4.206 4.340 -0.004 0.000 0.207 500 L C 1.949 178.851 176.870 0.055 0.000 1.078 500 L CA 2.853 57.755 54.840 0.103 0.000 0.749 500 L CB -0.779 41.346 42.059 0.110 0.000 0.901 500 L HN 0.512 nan 8.230 nan 0.000 0.433 501 D N -0.754 119.651 120.400 0.009 0.000 2.149 501 D HA -0.259 4.379 4.640 -0.004 0.000 0.198 501 D C 2.165 178.464 176.300 -0.001 0.000 0.990 501 D CA 1.200 55.184 54.000 -0.026 0.000 0.839 501 D CB -0.070 40.705 40.800 -0.042 0.000 0.948 501 D HN 0.149 nan 8.370 nan 0.000 0.460 502 K N 0.088 120.502 120.400 0.024 0.000 2.002 502 K HA -0.122 4.196 4.320 -0.004 0.000 0.209 502 K C 2.183 178.814 176.600 0.052 0.000 1.048 502 K CA 1.182 57.490 56.287 0.034 0.000 0.930 502 K CB -0.418 32.107 32.500 0.042 0.000 0.714 502 K HN 0.313 nan 8.250 nan 0.000 0.438 503 M N 0.721 120.376 119.600 0.091 0.000 2.080 503 M HA -0.168 4.309 4.480 -0.004 0.000 0.260 503 M C 2.212 178.542 176.300 0.051 0.000 1.068 503 M CA 1.465 56.854 55.300 0.149 0.000 1.109 503 M CB -0.379 32.406 32.600 0.308 0.000 1.342 503 M HN 0.036 nan 8.290 nan 0.000 0.405 504 L N 0.138 121.342 121.223 -0.032 0.000 2.447 504 L HA -0.209 4.129 4.340 -0.004 0.000 0.225 504 L C 2.597 179.423 176.870 -0.073 0.000 1.148 504 L CA 0.563 55.324 54.840 -0.133 0.000 0.808 504 L CB -0.722 41.276 42.059 -0.101 0.000 0.928 504 L HN 0.420 nan 8.230 nan 0.000 0.448 505 Q N 0.287 120.073 119.800 -0.023 0.000 2.119 505 Q HA -0.098 4.240 4.340 -0.004 0.000 0.201 505 Q C 1.153 177.157 176.000 0.007 0.000 0.972 505 Q CA 1.052 56.852 55.803 -0.006 0.000 0.847 505 Q CB -0.250 28.494 28.738 0.010 0.000 0.903 505 Q HN 0.640 nan 8.270 nan 0.000 0.433 506 N N 0.394 119.108 118.700 0.024 0.000 2.346 506 N HA 0.083 4.821 4.740 -0.004 0.000 0.225 506 N C -0.443 175.092 175.510 0.042 0.000 1.144 506 N CA 0.111 53.188 53.050 0.045 0.000 0.837 506 N CB 1.020 39.551 38.487 0.073 0.000 1.069 506 N HN -0.062 nan 8.380 nan 0.000 0.487 507 V N 0.757 120.670 119.914 -0.001 0.000 2.709 507 V HA 0.184 4.302 4.120 -0.004 0.000 0.308 507 V C -0.003 176.083 176.094 -0.014 0.000 1.062 507 V CA -0.871 61.423 62.300 -0.009 0.000 0.901 507 V CB 2.783 34.536 31.823 -0.116 0.000 1.003 507 V HN 0.047 nan 8.190 nan 0.000 0.425 508 Q N 4.121 123.927 119.800 0.010 0.000 2.837 508 Q HA 0.308 4.646 4.340 -0.004 0.000 0.235 508 Q C -0.374 175.592 176.000 -0.057 0.000 1.348 508 Q CA -0.263 55.520 55.803 -0.034 0.000 0.990 508 Q CB 0.302 29.035 28.738 -0.008 0.000 1.570 508 Q HN 0.534 nan 8.270 nan 0.000 0.575 509 M N 3.097 122.651 119.600 -0.076 0.000 2.243 509 M HA 0.236 4.714 4.480 -0.004 0.000 0.341 509 M C -1.811 174.419 176.300 -0.117 0.000 1.130 509 M CA -2.037 53.209 55.300 -0.090 0.000 1.162 509 M CB -0.303 32.247 32.600 -0.083 0.000 1.497 509 M HN 0.247 nan 8.290 nan 0.000 0.456 510 P HA 0.229 nan 4.420 nan 0.000 0.277 510 P C -0.774 176.444 177.300 -0.138 0.000 1.271 510 P CA -0.353 62.654 63.100 -0.154 0.000 0.795 510 P CB 0.602 32.197 31.700 -0.176 0.000 1.101 511 S N -1.239 114.365 115.700 -0.160 0.000 2.648 511 S HA 0.625 5.093 4.470 -0.004 0.000 0.305 511 S C -0.637 173.870 174.600 -0.154 0.000 1.094 511 S CA -0.799 57.323 58.200 -0.129 0.000 0.983 511 S CB 1.908 65.034 63.200 -0.124 0.000 1.101 511 S HN 0.523 nan 8.310 nan 0.000 0.514 512 K N 0.626 120.962 120.400 -0.107 0.000 2.426 512 K HA 0.426 4.744 4.320 -0.004 0.000 0.254 512 K C -1.347 175.203 176.600 -0.083 0.000 0.936 512 K CA -0.533 55.693 56.287 -0.102 0.000 0.801 512 K CB 1.418 33.881 32.500 -0.062 0.000 1.139 512 K HN 0.747 nan 8.250 nan 0.000 0.424 513 K N 5.001 125.340 120.400 -0.102 0.000 2.244 513 K HA 0.346 4.664 4.320 -0.004 0.000 0.260 513 K C -1.609 174.952 176.600 -0.065 0.000 0.951 513 K CA -0.841 55.398 56.287 -0.079 0.000 0.826 513 K CB 1.061 33.499 32.500 -0.104 0.000 1.108 513 K HN 0.465 nan 8.250 nan 0.000 0.433 514 L N 4.059 125.260 121.223 -0.037 0.000 2.343 514 L HA 0.520 4.858 4.340 -0.004 0.000 0.278 514 L C -1.271 175.595 176.870 -0.008 0.000 0.996 514 L CA 0.152 54.998 54.840 0.009 0.000 0.831 514 L CB 1.386 43.521 42.059 0.127 0.000 1.232 514 L HN 0.861 nan 8.230 nan 0.000 0.413 515 D N 2.799 123.012 120.400 -0.313 0.000 3.057 515 D HA 0.577 5.215 4.640 -0.004 0.000 0.328 515 D C -1.544 174.364 176.300 -0.653 0.000 1.317 515 D CA 0.063 53.774 54.000 -0.482 0.000 0.973 515 D CB 1.490 41.987 40.800 -0.506 0.000 1.424 515 D HN 0.236 nan 8.370 nan 0.000 0.569 516 F N -0.424 119.207 119.950 -0.531 0.000 2.662 516 F HA 0.704 5.229 4.527 -0.004 0.000 0.312 516 F C -1.043 174.836 175.800 0.131 0.000 1.113 516 F CA -1.163 56.644 58.000 -0.322 0.000 0.951 516 F CB 0.992 39.355 39.000 -1.060 0.000 1.344 516 F HN 0.285 nan 8.300 nan 0.000 0.462 517 I N 0.099 120.988 120.570 0.531 0.000 2.689 517 I HA 0.675 4.843 4.170 -0.004 0.000 0.299 517 I C -1.439 174.918 176.117 0.400 0.000 1.059 517 I CA -1.188 60.347 61.300 0.392 0.000 1.055 517 I CB 2.450 40.630 38.000 0.300 0.000 1.243 517 I HN 0.651 nan 8.210 nan 0.000 0.425 518 I N 5.556 126.296 120.570 0.283 0.000 2.315 518 I HA 0.405 4.573 4.170 -0.004 0.000 0.291 518 I C -0.738 175.505 176.117 0.210 0.000 1.006 518 I CA -0.473 60.957 61.300 0.216 0.000 1.265 518 I CB 1.344 39.434 38.000 0.150 0.000 1.387 518 I HN 0.379 nan 8.210 nan 0.000 0.475 519 L N 6.610 128.005 121.223 0.286 0.000 2.372 519 L HA 0.425 4.763 4.340 -0.004 0.000 0.274 519 L C -0.172 176.831 176.870 0.222 0.000 0.988 519 L CA -0.719 54.281 54.840 0.268 0.000 0.833 519 L CB 1.398 43.678 42.059 0.367 0.000 1.236 519 L HN 0.602 nan 8.230 nan 0.000 0.410 520 N N 2.468 121.239 118.700 0.118 0.000 2.735 520 N HA -0.199 4.539 4.740 -0.004 0.000 0.248 520 N C 0.057 175.595 175.510 0.047 0.000 1.083 520 N CA 1.131 54.225 53.050 0.074 0.000 0.703 520 N CB -0.682 37.851 38.487 0.077 0.000 1.005 520 N HN 0.795 nan 8.380 nan 0.000 0.550 521 E N -4.611 115.611 120.200 0.038 0.000 3.801 521 E HA -0.210 4.138 4.350 -0.004 0.000 0.319 521 E C -0.402 176.173 176.600 -0.042 0.000 0.784 521 E CA 1.547 57.949 56.400 0.004 0.000 1.183 521 E CB -1.946 27.753 29.700 -0.003 0.000 1.601 521 E HN 0.534 nan 8.360 nan 0.000 0.441 522 T N 1.165 115.681 114.554 -0.064 0.000 2.823 522 T HA 0.432 4.780 4.350 -0.004 0.000 0.279 522 T C 0.187 174.675 174.700 -0.353 0.000 0.998 522 T CA -0.631 61.322 62.100 -0.245 0.000 0.994 522 T CB 1.619 70.272 68.868 -0.357 0.000 0.960 522 T HN -0.032 nan 8.240 nan 0.000 0.448 523 K N 2.201 122.350 120.400 -0.418 0.000 2.249 523 K HA 0.457 4.775 4.320 -0.004 0.000 0.280 523 K C -1.002 175.299 176.600 -0.498 0.000 1.033 523 K CA -0.090 55.956 56.287 -0.401 0.000 0.946 523 K CB 0.634 32.763 32.500 -0.618 0.000 1.005 523 K HN 0.459 nan 8.250 nan 0.000 0.469 524 F N 2.064 122.057 119.950 0.072 0.000 2.499 524 F HA 0.281 4.805 4.527 -0.004 0.000 0.333 524 F C -0.586 175.312 175.800 0.163 0.000 1.138 524 F CA -0.944 57.129 58.000 0.121 0.000 0.945 524 F CB 1.001 40.120 39.000 0.198 0.000 1.181 524 F HN 0.437 nan 8.300 nan 0.000 0.435 525 W N 3.805 125.257 121.300 0.253 0.000 2.237 525 W HA 0.462 5.120 4.660 -0.004 0.000 0.335 525 W C -0.519 176.187 176.519 0.312 0.000 1.230 525 W CA -0.395 57.113 57.345 0.272 0.000 1.253 525 W CB 0.442 29.997 29.460 0.159 0.000 1.129 525 W HN 0.436 nan 8.180 nan 0.000 0.590 526 Y N -0.731 119.892 120.300 0.539 0.000 2.638 526 Y HA 0.600 5.148 4.550 -0.004 0.000 0.335 526 Y C -1.088 175.035 175.900 0.372 0.000 1.155 526 Y CA -1.891 56.517 58.100 0.514 0.000 1.046 526 Y CB 1.006 39.935 38.460 0.782 0.000 1.303 526 Y HN 0.566 nan 8.280 nan 0.000 0.460 527 Q N 2.187 122.216 119.800 0.382 0.000 2.456 527 Q HA 0.789 5.127 4.340 -0.004 0.000 0.283 527 Q C -1.864 174.245 176.000 0.182 0.000 1.084 527 Q CA -1.198 54.704 55.803 0.166 0.000 0.801 527 Q CB 3.417 32.225 28.738 0.116 0.000 1.434 527 Q HN 0.864 nan 8.270 nan 0.000 0.419 528 M N 2.122 121.745 119.600 0.039 0.000 2.386 528 M HA 0.445 4.922 4.480 -0.004 0.000 0.293 528 M C -1.286 174.920 176.300 -0.157 0.000 1.120 528 M CA -0.933 54.317 55.300 -0.083 0.000 0.909 528 M CB 2.327 34.825 32.600 -0.170 0.000 1.661 528 M HN 0.600 nan 8.290 nan 0.000 0.452 529 I N 5.005 125.473 120.570 -0.170 0.000 2.291 529 I HA 0.344 4.511 4.170 -0.004 0.000 0.290 529 I C -0.436 175.501 176.117 -0.300 0.000 1.050 529 I CA -0.263 60.918 61.300 -0.199 0.000 1.245 529 I CB 0.138 38.043 38.000 -0.158 0.000 1.405 529 I HN 0.623 nan 8.210 nan 0.000 0.478 530 L N 8.315 129.306 121.223 -0.387 0.000 2.312 530 L HA 0.425 4.763 4.340 -0.004 0.000 0.281 530 L C -2.125 174.518 176.870 -0.377 0.000 1.070 530 L CA -1.730 52.768 54.840 -0.569 0.000 0.805 530 L CB 0.886 42.429 42.059 -0.860 0.000 1.174 530 L HN 0.247 nan 8.230 nan 0.000 0.434 531 P HA 0.092 nan 4.420 nan 0.000 0.270 531 P C -2.479 174.744 177.300 -0.127 0.000 1.223 531 P CA -0.866 62.118 63.100 -0.194 0.000 0.785 531 P CB -0.083 31.524 31.700 -0.154 0.000 0.923 532 P HA 0.010 nan 4.420 nan 0.000 0.269 532 P C -0.530 176.682 177.300 -0.147 0.000 1.215 532 P CA 0.403 63.350 63.100 -0.255 0.000 0.780 532 P CB -0.268 31.219 31.700 -0.355 0.000 0.898 533 H N -1.911 117.188 119.070 0.048 0.000 2.741 533 H HA -0.226 4.328 4.556 -0.004 0.000 0.305 533 H C -0.024 175.360 175.328 0.093 0.000 1.169 533 H CA -0.356 55.727 56.048 0.058 0.000 1.144 533 H CB -2.259 27.531 29.762 0.046 0.000 1.397 533 H HN 0.307 nan 8.280 nan 0.000 0.409 534 F N 2.360 122.300 119.950 -0.017 0.000 2.612 534 F HA 0.090 4.615 4.527 -0.004 0.000 0.389 534 F C 0.526 176.347 175.800 0.035 0.000 1.055 534 F CA -0.147 57.799 58.000 -0.091 0.000 1.232 534 F CB 0.448 39.283 39.000 -0.273 0.000 1.044 534 F HN 0.252 nan 8.300 nan 0.000 0.560 535 D N 5.921 126.027 120.400 -0.490 0.000 2.440 535 D HA 0.156 4.794 4.640 -0.004 0.000 0.239 535 D C 0.507 176.434 176.300 -0.623 0.000 1.084 535 D CA -0.598 53.155 54.000 -0.413 0.000 0.843 535 D CB 1.114 41.830 40.800 -0.140 0.000 1.097 535 D HN 0.669 nan 8.370 nan 0.000 0.531 536 K N 1.034 121.079 120.400 -0.591 0.000 2.519 536 K HA -0.106 4.212 4.320 -0.004 0.000 0.196 536 K C 1.232 177.812 176.600 -0.034 0.000 1.041 536 K CA 0.897 57.025 56.287 -0.265 0.000 0.954 536 K CB -0.090 32.422 32.500 0.020 0.000 0.774 536 K HN 0.211 nan 8.250 nan 0.000 0.480 537 S N 0.099 115.742 115.700 -0.095 0.000 2.558 537 S HA 0.060 4.528 4.470 -0.004 0.000 0.217 537 S C 0.350 174.901 174.600 -0.082 0.000 0.975 537 S CA -0.397 57.769 58.200 -0.056 0.000 0.912 537 S CB -0.000 63.163 63.200 -0.062 0.000 0.776 537 S HN 0.223 nan 8.310 nan 0.000 0.526 538 K N 0.813 121.129 120.400 -0.139 0.000 2.168 538 K HA 0.473 4.791 4.320 -0.004 0.000 0.239 538 K C -0.679 175.805 176.600 -0.193 0.000 0.999 538 K CA -0.942 55.196 56.287 -0.248 0.000 0.900 538 K CB 0.648 32.853 32.500 -0.492 0.000 1.111 538 K HN -0.056 nan 8.250 nan 0.000 0.452 539 K N 2.010 122.253 120.400 -0.261 0.000 2.293 539 K HA 0.293 4.611 4.320 -0.004 0.000 0.267 539 K C -1.084 175.380 176.600 -0.226 0.000 1.010 539 K CA -0.379 55.835 56.287 -0.122 0.000 0.875 539 K CB 0.767 33.210 32.500 -0.095 0.000 1.106 539 K HN 0.462 nan 8.250 nan 0.000 0.450 540 Y N 3.023 123.358 120.300 0.059 0.000 2.387 540 Y HA 0.289 4.837 4.550 -0.004 0.000 0.336 540 Y C -1.801 174.040 175.900 -0.098 0.000 1.067 540 Y CA -2.277 55.828 58.100 0.008 0.000 1.114 540 Y CB 1.305 39.831 38.460 0.109 0.000 1.208 540 Y HN 0.437 nan 8.280 nan 0.000 0.458 541 P HA 0.146 nan 4.420 nan 0.000 0.274 541 P C -1.063 176.062 177.300 -0.292 0.000 1.231 541 P CA -0.167 62.642 63.100 -0.484 0.000 0.790 541 P CB 1.586 32.593 31.700 -1.155 0.000 0.951 542 L N 3.013 124.120 121.223 -0.193 0.000 2.362 542 L HA 0.499 4.837 4.340 -0.004 0.000 0.275 542 L C -1.080 175.967 176.870 0.295 0.000 0.998 542 L CA -1.207 53.672 54.840 0.064 0.000 0.820 542 L CB 1.691 43.818 42.059 0.114 0.000 1.270 542 L HN 0.168 nan 8.230 nan 0.000 0.415 543 L N 5.690 127.101 121.223 0.314 0.000 2.298 543 L HA 0.474 4.812 4.340 -0.004 0.000 0.284 543 L C -1.184 175.917 176.870 0.384 0.000 1.013 543 L CA -0.341 54.750 54.840 0.419 0.000 0.824 543 L CB 1.502 43.764 42.059 0.338 0.000 1.221 543 L HN 0.592 nan 8.230 nan 0.000 0.418 544 L N 5.215 126.712 121.223 0.457 0.000 2.278 544 L HA 0.387 4.725 4.340 -0.004 0.000 0.287 544 L C -0.448 176.652 176.870 0.383 0.000 1.072 544 L CA 0.298 55.391 54.840 0.421 0.000 0.819 544 L CB 0.520 42.867 42.059 0.481 0.000 1.176 544 L HN 0.632 nan 8.230 nan 0.000 0.435 545 D N 4.579 125.179 120.400 0.333 0.000 2.347 545 D HA 0.269 4.907 4.640 -0.004 0.000 0.235 545 D C -1.026 175.350 176.300 0.126 0.000 1.149 545 D CA 0.082 54.210 54.000 0.214 0.000 0.850 545 D CB 1.296 42.281 40.800 0.308 0.000 1.061 545 D HN 0.365 nan 8.370 nan 0.000 0.487 546 V N 5.248 125.157 119.914 -0.009 0.000 2.914 546 V HA 0.483 4.601 4.120 -0.004 0.000 0.314 546 V C -1.108 175.050 176.094 0.107 0.000 1.084 546 V CA -0.437 61.919 62.300 0.093 0.000 0.963 546 V CB 1.994 33.882 31.823 0.110 0.000 1.025 546 V HN 0.657 nan 8.190 nan 0.000 0.432 547 Y N 4.582 124.947 120.300 0.108 0.000 3.266 547 Y HA 0.581 5.129 4.550 -0.004 0.000 0.189 547 Y C 1.481 177.512 175.900 0.218 0.000 0.895 547 Y CA 1.276 59.468 58.100 0.153 0.000 1.706 547 Y CB 0.263 38.792 38.460 0.115 0.000 1.449 547 Y HN 1.221 nan 8.280 nan 0.000 0.391 548 A N 0.920 123.873 122.820 0.223 0.000 2.899 548 A HA -0.146 4.172 4.320 -0.004 0.000 0.257 548 A C 0.846 178.298 177.584 -0.219 0.000 1.335 548 A CA 0.939 53.038 52.037 0.104 0.000 0.924 548 A CB -2.475 16.629 19.000 0.172 0.000 1.105 548 A HN 0.994 nan 8.150 nan 0.000 0.765 549 G N -0.414 108.059 108.800 -0.545 0.000 2.599 549 G HA2 0.525 4.483 3.960 -0.004 0.000 0.264 549 G HA3 0.525 4.483 3.960 -0.004 0.000 0.264 549 G C -1.825 172.807 174.900 -0.446 0.000 1.200 549 G CA -0.667 43.682 45.100 -1.252 0.000 0.896 549 G HN 0.433 nan 8.290 nan 0.000 0.536 550 P HA 0.022 nan 4.420 nan 0.000 0.264 550 P C 0.570 177.757 177.300 -0.187 0.000 1.193 550 P CA 0.238 63.105 63.100 -0.388 0.000 0.763 550 P CB 0.870 32.002 31.700 -0.947 0.000 0.810 551 C N 2.044 121.284 119.300 -0.101 0.000 4.417 551 C HA -0.143 4.315 4.460 -0.004 0.000 0.284 551 C C 1.092 176.106 174.990 0.040 0.000 1.379 551 C CA 1.184 60.102 59.018 -0.165 0.000 1.918 551 C CB -2.657 24.805 27.740 -0.463 0.000 1.280 551 C HN 0.846 nan 8.230 nan 0.000 0.783 552 S N -0.043 115.739 115.700 0.137 0.000 2.652 552 S HA 0.606 5.074 4.470 -0.004 0.000 0.270 552 S C -0.623 174.124 174.600 0.245 0.000 1.243 552 S CA 0.116 58.464 58.200 0.246 0.000 0.999 552 S CB 1.687 65.096 63.200 0.348 0.000 0.973 552 S HN 0.808 nan 8.310 nan 0.000 0.544 553 Q N 0.083 120.049 119.800 0.277 0.000 2.374 553 Q HA 0.343 4.681 4.340 -0.004 0.000 0.250 553 Q C -0.745 175.375 176.000 0.201 0.000 0.918 553 Q CA -0.539 55.427 55.803 0.272 0.000 0.778 553 Q CB 0.955 29.919 28.738 0.376 0.000 1.328 553 Q HN 0.697 nan 8.270 nan 0.000 0.445 554 K N 1.049 121.567 120.400 0.197 0.000 2.358 554 K HA 0.337 4.655 4.320 -0.004 0.000 0.200 554 K C -0.430 176.274 176.600 0.173 0.000 1.030 554 K CA 0.251 56.644 56.287 0.177 0.000 1.097 554 K CB 1.473 34.103 32.500 0.216 0.000 0.862 554 K HN 0.479 nan 8.250 nan 0.000 0.534 555 A N 2.632 125.563 122.820 0.185 0.000 2.328 555 A HA 0.431 4.749 4.320 -0.004 0.000 0.318 555 A C -0.804 176.856 177.584 0.127 0.000 1.347 555 A CA -0.581 51.569 52.037 0.188 0.000 0.842 555 A CB 0.194 19.363 19.000 0.283 0.000 1.148 555 A HN 0.235 nan 8.150 nan 0.000 0.499 556 D N -0.112 120.338 120.400 0.082 0.000 2.812 556 D HA 0.456 5.094 4.640 -0.004 0.000 0.318 556 D C 0.434 176.755 176.300 0.036 0.000 1.234 556 D CA 0.293 54.330 54.000 0.062 0.000 0.989 556 D CB 0.354 41.191 40.800 0.061 0.000 1.442 556 D HN 0.162 nan 8.370 nan 0.000 0.537 557 T N -2.309 112.284 114.554 0.065 0.000 3.186 557 T HA 0.333 4.681 4.350 -0.004 0.000 0.257 557 T C 0.315 174.993 174.700 -0.036 0.000 1.029 557 T CA -0.393 61.738 62.100 0.051 0.000 0.916 557 T CB -0.663 68.277 68.868 0.121 0.000 1.041 557 T HN 0.250 nan 8.240 nan 0.000 0.562 558 V N 2.499 122.295 119.914 -0.197 0.000 2.614 558 V HA 0.359 4.477 4.120 -0.004 0.000 0.291 558 V C -0.009 176.036 176.094 -0.082 0.000 1.049 558 V CA -0.959 61.185 62.300 -0.260 0.000 1.038 558 V CB 0.374 31.912 31.823 -0.475 0.000 0.980 558 V HN 0.584 nan 8.190 nan 0.000 0.481 559 F N 6.427 126.283 119.950 -0.156 0.000 2.421 559 F HA 0.550 5.075 4.527 -0.004 0.000 0.358 559 F C 0.457 176.200 175.800 -0.095 0.000 1.115 559 F CA -0.258 57.674 58.000 -0.114 0.000 1.160 559 F CB 0.217 39.157 39.000 -0.100 0.000 1.123 559 F HN 0.422 nan 8.300 nan 0.000 0.508 560 R N 6.437 126.472 120.500 -0.776 0.000 2.740 560 R HA 0.578 4.916 4.340 -0.004 0.000 0.282 560 R C -1.480 174.360 176.300 -0.768 0.000 0.969 560 R CA -1.090 54.652 56.100 -0.596 0.000 0.918 560 R CB 2.156 32.286 30.300 -0.283 0.000 1.175 560 R HN 0.663 nan 8.270 nan 0.000 0.464 561 L N 4.158 125.117 121.223 -0.440 0.000 2.337 561 L HA 0.379 4.717 4.340 -0.004 0.000 0.269 561 L C -0.706 176.123 176.870 -0.068 0.000 1.018 561 L CA -0.630 54.016 54.840 -0.324 0.000 0.876 561 L CB 0.469 42.472 42.059 -0.093 0.000 1.236 561 L HN 0.782 nan 8.230 nan 0.000 0.436 562 N N 0.307 118.893 118.700 -0.190 0.000 3.387 562 N HA 0.153 4.891 4.740 -0.004 0.000 0.322 562 N C 0.229 175.363 175.510 -0.628 0.000 1.588 562 N CA -0.871 51.966 53.050 -0.355 0.000 0.778 562 N CB 0.180 38.584 38.487 -0.137 0.000 1.883 562 N HN 0.267 nan 8.380 nan 0.000 0.628 563 W N 0.660 121.301 121.300 -1.097 0.000 2.338 563 W HA 0.100 4.757 4.660 -0.004 0.000 0.304 563 W C 2.037 178.492 176.519 -0.105 0.000 1.212 563 W CA 2.979 59.966 57.345 -0.597 0.000 1.264 563 W CB -0.989 28.276 29.460 -0.324 0.000 1.142 563 W HN 0.703 nan 8.180 nan 0.000 0.512 564 A N -0.684 122.109 122.820 -0.044 0.000 1.972 564 A HA -0.182 4.136 4.320 -0.004 0.000 0.219 564 A C 1.935 179.406 177.584 -0.188 0.000 1.169 564 A CA 2.315 54.260 52.037 -0.154 0.000 0.635 564 A CB -1.222 17.769 19.000 -0.015 0.000 0.810 564 A HN 0.296 nan 8.150 nan 0.000 0.446 565 T N -1.129 113.329 114.554 -0.159 0.000 2.708 565 T HA -0.203 4.144 4.350 -0.004 0.000 0.266 565 T C 1.819 176.527 174.700 0.013 0.000 1.037 565 T CA 1.771 63.760 62.100 -0.185 0.000 1.146 565 T CB -0.495 68.110 68.868 -0.438 0.000 0.865 565 T HN 0.709 nan 8.240 nan 0.000 0.435 566 Y N 2.047 122.422 120.300 0.125 0.000 2.181 566 Y HA -0.034 4.514 4.550 -0.003 0.000 0.288 566 Y C 1.923 177.806 175.900 -0.028 0.000 1.146 566 Y CA 0.946 59.155 58.100 0.181 0.000 1.164 566 Y CB -0.774 37.782 38.460 0.160 0.000 0.982 566 Y HN 0.133 nan 8.280 nan 0.000 0.515 567 L N 0.161 120.914 121.223 -0.784 0.000 2.083 567 L HA -0.184 4.154 4.340 -0.004 0.000 0.209 567 L C 2.808 179.403 176.870 -0.458 0.000 1.083 567 L CA 1.236 55.559 54.840 -0.862 0.000 0.752 567 L CB -0.931 40.678 42.059 -0.749 0.000 0.899 567 L HN 0.420 nan 8.230 nan 0.000 0.433 568 A N -1.125 121.508 122.820 -0.310 0.000 1.874 568 A HA -0.165 4.153 4.320 -0.004 0.000 0.214 568 A C 2.516 180.005 177.584 -0.157 0.000 1.189 568 A CA 1.612 53.517 52.037 -0.218 0.000 0.615 568 A CB -0.619 18.254 19.000 -0.213 0.000 0.830 568 A HN 0.316 nan 8.150 nan 0.000 0.443 569 S N -1.079 114.554 115.700 -0.112 0.000 2.368 569 S HA -0.115 4.353 4.470 -0.004 0.000 0.224 569 S C 1.928 176.529 174.600 0.003 0.000 1.029 569 S CA 2.320 60.504 58.200 -0.027 0.000 0.988 569 S CB -0.361 62.882 63.200 0.072 0.000 0.838 569 S HN 0.579 nan 8.310 nan 0.000 0.462 570 T N 0.986 115.522 114.554 -0.030 0.000 3.004 570 T HA 0.200 4.547 4.350 -0.004 0.000 0.243 570 T C 1.317 175.987 174.700 -0.051 0.000 1.020 570 T CA 0.410 62.518 62.100 0.014 0.000 1.145 570 T CB -0.119 68.846 68.868 0.162 0.000 0.876 570 T HN 0.268 nan 8.240 nan 0.000 0.449 571 E N 1.485 121.559 120.200 -0.210 0.000 2.489 571 E HA 0.149 4.497 4.350 -0.004 0.000 0.193 571 E C -0.093 176.471 176.600 -0.060 0.000 1.057 571 E CA -0.106 56.211 56.400 -0.139 0.000 0.866 571 E CB -0.504 29.045 29.700 -0.251 0.000 0.916 571 E HN 0.517 nan 8.360 nan 0.000 0.500 572 N N 0.678 119.347 118.700 -0.051 0.000 2.716 572 N HA -0.205 4.533 4.740 -0.004 0.000 0.250 572 N C -0.759 174.770 175.510 0.033 0.000 1.033 572 N CA 0.345 53.412 53.050 0.028 0.000 0.727 572 N CB -1.197 37.376 38.487 0.145 0.000 0.950 572 N HN 0.247 nan 8.380 nan 0.000 0.541 573 I N 0.693 121.218 120.570 -0.075 0.000 2.392 573 I HA 0.332 4.500 4.170 -0.004 0.000 0.295 573 I C 0.629 176.670 176.117 -0.126 0.000 0.985 573 I CA -0.853 60.407 61.300 -0.067 0.000 1.221 573 I CB 1.283 39.256 38.000 -0.045 0.000 1.366 573 I HN 0.031 nan 8.210 nan 0.000 0.467 574 I N 6.325 126.831 120.570 -0.108 0.000 2.352 574 I HA 0.165 4.332 4.170 -0.004 0.000 0.290 574 I C -0.395 175.675 176.117 -0.078 0.000 1.036 574 I CA -0.440 60.758 61.300 -0.170 0.000 1.336 574 I CB 1.067 38.969 38.000 -0.164 0.000 1.407 574 I HN 0.196 nan 8.210 nan 0.000 0.497 575 V N 6.849 126.706 119.914 -0.095 0.000 2.328 575 V HA 0.585 4.703 4.120 -0.004 0.000 0.278 575 V C 0.410 176.511 176.094 0.011 0.000 1.021 575 V CA -0.405 61.897 62.300 0.003 0.000 0.838 575 V CB 1.074 32.892 31.823 -0.008 0.000 0.999 575 V HN 0.841 nan 8.190 nan 0.000 0.447 576 A N 4.144 127.004 122.820 0.067 0.000 2.330 576 A HA 0.957 5.274 4.320 -0.004 0.000 0.329 576 A C -0.141 177.586 177.584 0.240 0.000 1.135 576 A CA -0.504 51.567 52.037 0.056 0.000 0.817 576 A CB 1.690 20.559 19.000 -0.219 0.000 1.269 576 A HN 0.686 nan 8.150 nan 0.000 0.469 577 S N -0.440 115.453 115.700 0.322 0.000 2.564 577 S HA 0.761 5.229 4.470 -0.004 0.000 0.274 577 S C -1.526 173.436 174.600 0.604 0.000 1.124 577 S CA -0.305 58.137 58.200 0.404 0.000 0.869 577 S CB 1.381 64.756 63.200 0.292 0.000 1.105 577 S HN 0.784 nan 8.310 nan 0.000 0.472 578 F N 1.649 121.833 119.950 0.389 0.000 2.581 578 F HA 0.470 4.995 4.527 -0.004 0.000 0.311 578 F C -1.642 174.351 175.800 0.322 0.000 1.113 578 F CA -0.701 57.547 58.000 0.412 0.000 0.935 578 F CB 1.576 40.786 39.000 0.351 0.000 1.232 578 F HN 0.409 nan 8.300 nan 0.000 0.445 579 D N 4.517 124.680 120.400 -0.395 0.000 2.473 579 D HA 0.375 5.012 4.640 -0.004 0.000 0.226 579 D C 0.320 176.322 176.300 -0.497 0.000 1.089 579 D CA 0.077 53.950 54.000 -0.212 0.000 0.883 579 D CB 1.512 42.341 40.800 0.049 0.000 1.029 579 D HN 0.758 nan 8.370 nan 0.000 0.517 580 G N 1.194 109.814 108.800 -0.300 0.000 2.641 580 G HA2 0.289 4.246 3.960 -0.004 0.000 0.239 580 G HA3 0.289 4.246 3.960 -0.004 0.000 0.239 580 G C 0.168 175.042 174.900 -0.043 0.000 1.402 580 G CA -0.724 44.199 45.100 -0.295 0.000 1.046 580 G HN 0.284 nan 8.290 nan 0.000 0.565 581 R N -0.692 119.758 120.500 -0.083 0.000 2.583 581 R HA 0.336 4.674 4.340 -0.004 0.000 0.274 581 R C 1.309 177.691 176.300 0.137 0.000 0.998 581 R CA 1.575 57.740 56.100 0.108 0.000 1.081 581 R CB 0.328 30.662 30.300 0.057 0.000 0.940 581 R HN 1.069 nan 8.270 nan 0.000 0.413 582 G N 1.106 109.989 108.800 0.138 0.000 2.284 582 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.230 582 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.230 582 G C 0.167 175.105 174.900 0.063 0.000 1.021 582 G CA 0.131 45.297 45.100 0.109 0.000 0.619 582 G HN 0.739 nan 8.290 nan 0.000 0.510 583 S N 0.516 116.262 115.700 0.077 0.000 2.589 583 S HA 0.619 5.087 4.470 -0.004 0.000 0.265 583 S C 0.874 175.468 174.600 -0.010 0.000 1.342 583 S CA 0.560 58.798 58.200 0.063 0.000 1.005 583 S CB 1.643 64.910 63.200 0.111 0.000 0.909 583 S HN 1.720 nan 8.310 nan 0.000 0.555 584 G N -1.126 107.621 108.800 -0.088 0.000 2.705 584 G HA2 0.509 4.466 3.960 -0.004 0.000 0.299 584 G HA3 0.509 4.466 3.960 -0.004 0.000 0.299 584 G C -1.015 173.727 174.900 -0.264 0.000 1.315 584 G CA -1.045 43.839 45.100 -0.360 0.000 1.045 584 G HN 0.927 nan 8.290 nan 0.000 0.517 585 Y N -2.273 118.032 120.300 0.009 0.000 4.668 585 Y HA -0.212 4.336 4.550 -0.004 0.000 0.234 585 Y C 1.304 177.214 175.900 0.016 0.000 1.056 585 Y CA 1.049 59.159 58.100 0.017 0.000 2.025 585 Y CB -2.243 36.244 38.460 0.044 0.000 1.613 585 Y HN 0.544 nan 8.280 nan 0.000 0.653 586 Q N -0.201 119.617 119.800 0.030 0.000 2.055 586 Q HA 0.509 4.846 4.340 -0.004 0.000 0.226 586 Q C 0.842 176.725 176.000 -0.196 0.000 0.805 586 Q CA 0.173 56.000 55.803 0.041 0.000 1.072 586 Q CB 1.652 30.421 28.738 0.051 0.000 1.219 586 Q HN 0.598 nan 8.270 nan 0.000 0.451 587 G N 0.805 109.348 108.800 -0.430 0.000 2.675 587 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.686 587 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.686 587 G C -0.470 174.051 174.900 -0.632 0.000 1.215 587 G CA -0.611 43.947 45.100 -0.903 0.000 0.777 587 G HN 0.117 nan 8.290 nan 0.000 0.638 588 D N -0.001 119.984 120.400 -0.691 0.000 2.310 588 D HA -0.050 4.588 4.640 -0.004 0.000 0.212 588 D C 2.169 178.167 176.300 -0.504 0.000 0.965 588 D CA 1.215 54.760 54.000 -0.758 0.000 0.879 588 D CB 0.107 40.392 40.800 -0.857 0.000 0.921 588 D HN 0.606 nan 8.370 nan 0.000 0.510 589 K N 0.435 120.606 120.400 -0.381 0.000 2.097 589 K HA -0.073 4.245 4.320 -0.004 0.000 0.206 589 K C 1.990 178.509 176.600 -0.134 0.000 1.049 589 K CA 0.782 56.940 56.287 -0.214 0.000 0.933 589 K CB 0.074 32.468 32.500 -0.177 0.000 0.717 589 K HN 0.093 nan 8.250 nan 0.000 0.442 590 I N 0.223 120.705 120.570 -0.147 0.000 2.296 590 I HA -0.192 3.976 4.170 -0.004 0.000 0.242 590 I C 2.591 178.699 176.117 -0.014 0.000 1.087 590 I CA 0.708 61.996 61.300 -0.019 0.000 1.393 590 I CB -0.130 37.879 38.000 0.015 0.000 1.093 590 I HN 0.267 nan 8.210 nan 0.000 0.421 591 M N 0.314 119.838 119.600 -0.126 0.000 2.080 591 M HA -0.255 4.223 4.480 -0.004 0.000 0.260 591 M C 1.792 178.138 176.300 0.077 0.000 1.068 591 M CA 2.043 57.300 55.300 -0.073 0.000 1.109 591 M CB -0.335 32.124 32.600 -0.234 0.000 1.342 591 M HN 0.267 nan 8.290 nan 0.000 0.405 592 H N -0.845 118.112 119.070 -0.189 0.000 2.536 592 H HA 0.204 4.758 4.556 -0.004 0.000 0.276 592 H C 1.719 177.051 175.328 0.006 0.000 1.019 592 H CA 0.020 55.963 56.048 -0.177 0.000 1.159 592 H CB 0.128 29.690 29.762 -0.333 0.000 1.373 592 H HN 0.514 nan 8.280 nan 0.000 0.584 593 A N 1.465 124.381 122.820 0.159 0.000 2.015 593 A HA -0.099 4.219 4.320 -0.004 0.000 0.219 593 A C 2.032 179.808 177.584 0.319 0.000 1.163 593 A CA 0.873 53.019 52.037 0.183 0.000 0.646 593 A CB -0.554 18.511 19.000 0.108 0.000 0.806 593 A HN 0.575 nan 8.150 nan 0.000 0.448 594 I N -3.124 117.615 120.570 0.281 0.000 3.861 594 I HA 0.153 4.321 4.170 -0.004 0.000 0.329 594 I C 0.391 176.601 176.117 0.155 0.000 1.321 594 I CA -0.455 60.977 61.300 0.220 0.000 1.126 594 I CB -0.663 37.436 38.000 0.165 0.000 1.018 594 I HN 0.215 nan 8.210 nan 0.000 0.407 595 N N 3.022 121.852 118.700 0.216 0.000 2.357 595 N HA -0.090 4.648 4.740 -0.004 0.000 0.257 595 N C 0.215 175.762 175.510 0.063 0.000 1.250 595 N CA 0.331 53.506 53.050 0.208 0.000 0.862 595 N CB 0.324 38.889 38.487 0.130 0.000 1.066 595 N HN 0.395 nan 8.380 nan 0.000 0.468 596 R N 0.482 120.999 120.500 0.028 0.000 4.016 596 R HA -0.201 4.137 4.340 -0.004 0.000 0.385 596 R C -0.299 175.896 176.300 -0.175 0.000 1.158 596 R CA 0.917 56.988 56.100 -0.048 0.000 1.117 596 R CB -0.890 29.396 30.300 -0.023 0.000 1.635 596 R HN 0.579 nan 8.270 nan 0.000 0.560 597 R N 0.661 121.039 120.500 -0.204 0.000 2.718 597 R HA 0.345 4.683 4.340 -0.004 0.000 0.307 597 R C -0.520 175.713 176.300 -0.112 0.000 1.244 597 R CA -0.190 55.631 56.100 -0.465 0.000 1.348 597 R CB 0.549 30.569 30.300 -0.468 0.000 1.304 597 R HN 0.067 nan 8.270 nan 0.000 0.663 598 L N -0.479 120.777 121.223 0.055 0.000 2.483 598 L HA 0.252 4.590 4.340 -0.004 0.000 0.275 598 L C 1.354 178.474 176.870 0.417 0.000 1.220 598 L CA 0.820 55.747 54.840 0.145 0.000 0.833 598 L CB 0.518 42.461 42.059 -0.194 0.000 1.102 598 L HN 0.674 nan 8.230 nan 0.000 0.490 599 G N 0.527 109.605 108.800 0.463 0.000 2.143 599 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.248 599 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.248 599 G C 0.418 175.406 174.900 0.147 0.000 0.991 599 G CA 0.576 45.884 45.100 0.347 0.000 0.689 599 G HN 0.868 nan 8.290 nan 0.000 0.522 600 T N -3.652 110.942 114.554 0.068 0.000 3.257 600 T HA 0.473 4.821 4.350 -0.004 0.000 0.176 600 T C 1.630 176.307 174.700 -0.039 0.000 0.892 600 T CA 0.883 62.919 62.100 -0.106 0.000 1.147 600 T CB -0.040 68.571 68.868 -0.429 0.000 1.840 600 T HN 0.145 nan 8.240 nan 0.000 0.375 601 F N 3.543 123.528 119.950 0.059 0.000 2.126 601 F HA 0.045 4.569 4.527 -0.004 0.000 0.299 601 F C 2.792 178.622 175.800 0.050 0.000 1.096 601 F CA 1.352 59.377 58.000 0.041 0.000 1.255 601 F CB -0.710 38.311 39.000 0.035 0.000 0.997 601 F HN 0.523 nan 8.300 nan 0.000 0.479 602 E N 0.702 121.057 120.200 0.259 0.000 2.268 602 E HA -0.108 4.240 4.350 -0.004 0.000 0.195 602 E C 2.041 178.744 176.600 0.172 0.000 0.995 602 E CA 1.288 57.811 56.400 0.206 0.000 0.836 602 E CB -0.983 28.840 29.700 0.204 0.000 0.763 602 E HN 0.304 nan 8.360 nan 0.000 0.491 603 V N 1.561 121.554 119.914 0.132 0.000 2.302 603 V HA -0.177 3.940 4.120 -0.004 0.000 0.243 603 V C 2.304 178.432 176.094 0.056 0.000 1.036 603 V CA 1.952 64.284 62.300 0.055 0.000 1.020 603 V CB -0.568 31.242 31.823 -0.021 0.000 0.657 603 V HN 0.183 nan 8.190 nan 0.000 0.453 604 E N 0.373 120.620 120.200 0.079 0.000 2.077 604 E HA -0.249 4.099 4.350 -0.004 0.000 0.193 604 E C 1.922 178.549 176.600 0.044 0.000 0.989 604 E CA 1.604 58.047 56.400 0.071 0.000 0.800 604 E CB -0.242 29.529 29.700 0.118 0.000 0.746 604 E HN 0.556 nan 8.360 nan 0.000 0.452 605 D N 0.360 120.801 120.400 0.068 0.000 2.149 605 D HA -0.171 4.467 4.640 -0.004 0.000 0.198 605 D C 1.923 178.187 176.300 -0.061 0.000 0.990 605 D CA 0.950 54.952 54.000 0.005 0.000 0.839 605 D CB -0.177 40.669 40.800 0.077 0.000 0.948 605 D HN 0.018 nan 8.370 nan 0.000 0.460 606 Q N 0.042 119.882 119.800 0.066 0.000 2.124 606 Q HA -0.013 4.325 4.340 -0.004 0.000 0.202 606 Q C 2.044 178.068 176.000 0.040 0.000 0.977 606 Q CA 0.871 56.724 55.803 0.083 0.000 0.850 606 Q CB -0.133 28.681 28.738 0.127 0.000 0.901 606 Q HN 0.364 nan 8.270 nan 0.000 0.429 607 I N -0.262 120.340 120.570 0.054 0.000 2.233 607 I HA -0.186 3.982 4.170 -0.004 0.000 0.243 607 I C 2.133 178.213 176.117 -0.063 0.000 1.093 607 I CA 1.126 62.502 61.300 0.127 0.000 1.380 607 I CB -0.258 37.808 38.000 0.109 0.000 1.067 607 I HN 0.204 nan 8.210 nan 0.000 0.413 608 E N 1.744 121.852 120.200 -0.154 0.000 2.118 608 E HA -0.209 4.138 4.350 -0.004 0.000 0.195 608 E C 2.075 178.391 176.600 -0.474 0.000 0.992 608 E CA 1.713 57.960 56.400 -0.255 0.000 0.804 608 E CB -0.184 29.384 29.700 -0.221 0.000 0.741 608 E HN 0.410 nan 8.360 nan 0.000 0.458 609 A N 0.734 123.130 122.820 -0.706 0.000 1.902 609 A HA -0.071 4.247 4.320 -0.004 0.000 0.217 609 A C 2.453 179.336 177.584 -1.169 0.000 1.181 609 A CA 2.192 53.497 52.037 -1.219 0.000 0.623 609 A CB -1.013 17.102 19.000 -1.475 0.000 0.818 609 A HN 0.390 nan 8.150 nan 0.000 0.443 610 A N -0.285 122.233 122.820 -0.503 0.000 1.902 610 A HA -0.150 4.168 4.320 -0.004 0.000 0.217 610 A C 2.242 179.648 177.584 -0.296 0.000 1.181 610 A CA 1.468 53.367 52.037 -0.229 0.000 0.623 610 A CB -0.455 18.464 19.000 -0.135 0.000 0.818 610 A HN 0.559 nan 8.150 nan 0.000 0.443 611 R N -0.716 119.592 120.500 -0.320 0.000 2.080 611 R HA -0.148 4.190 4.340 -0.004 0.000 0.236 611 R C 2.428 178.563 176.300 -0.275 0.000 1.137 611 R CA 1.542 57.489 56.100 -0.256 0.000 0.943 611 R CB -0.396 29.774 30.300 -0.215 0.000 0.846 611 R HN 0.539 nan 8.270 nan 0.000 0.431 612 Q N -0.114 119.446 119.800 -0.399 0.000 2.152 612 Q HA -0.170 4.168 4.340 -0.004 0.000 0.206 612 Q C 2.050 177.883 176.000 -0.277 0.000 0.985 612 Q CA 1.522 57.101 55.803 -0.374 0.000 0.863 612 Q CB -0.230 28.202 28.738 -0.510 0.000 0.904 612 Q HN 0.302 nan 8.270 nan 0.000 0.422 613 F N 0.973 120.769 119.950 -0.258 0.000 2.163 613 F HA -0.121 4.404 4.527 -0.004 0.000 0.297 613 F C 2.725 178.346 175.800 -0.298 0.000 1.094 613 F CA 1.173 59.013 58.000 -0.268 0.000 1.290 613 F CB -1.287 37.611 39.000 -0.170 0.000 1.017 613 F HN 0.083 nan 8.300 nan 0.000 0.483 614 S N -0.064 115.603 115.700 -0.055 0.000 2.402 614 S HA -0.229 4.238 4.470 -0.004 0.000 0.229 614 S C 1.925 176.425 174.600 -0.166 0.000 1.021 614 S CA 1.166 59.297 58.200 -0.115 0.000 0.974 614 S CB -0.634 62.500 63.200 -0.110 0.000 0.800 614 S HN 0.346 nan 8.310 nan 0.000 0.484 615 K N 0.788 121.091 120.400 -0.161 0.000 2.504 615 K HA 0.219 4.537 4.320 -0.004 0.000 0.195 615 K C 1.744 178.233 176.600 -0.184 0.000 1.036 615 K CA 0.608 56.805 56.287 -0.149 0.000 0.984 615 K CB -0.308 32.115 32.500 -0.129 0.000 0.788 615 K HN 0.453 nan 8.250 nan 0.000 0.488 616 M N -1.249 118.173 119.600 -0.297 0.000 2.595 616 M HA 0.097 4.575 4.480 -0.004 0.000 0.248 616 M C 1.237 177.246 176.300 -0.484 0.000 1.119 616 M CA 0.959 56.005 55.300 -0.425 0.000 1.079 616 M CB 0.392 32.571 32.600 -0.702 0.000 1.472 616 M HN 0.446 nan 8.290 nan 0.000 0.501 617 G N 1.301 109.880 108.800 -0.368 0.000 2.225 617 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.254 617 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.254 617 G C 0.382 175.232 174.900 -0.082 0.000 0.988 617 G CA 0.438 45.426 45.100 -0.188 0.000 0.625 617 G HN 0.601 nan 8.290 nan 0.000 0.527 618 F N 0.210 120.223 119.950 0.106 0.000 2.684 618 F HA 0.782 5.307 4.527 -0.004 0.000 0.298 618 F C 0.034 175.957 175.800 0.205 0.000 1.120 618 F CA -1.771 56.327 58.000 0.163 0.000 1.332 618 F CB -0.011 39.167 39.000 0.296 0.000 0.986 618 F HN 0.084 nan 8.300 nan 0.000 0.524 619 V N 1.077 121.081 119.914 0.150 0.000 2.540 619 V HA 0.239 4.357 4.120 -0.004 0.000 0.302 619 V C -0.786 175.324 176.094 0.028 0.000 1.035 619 V CA -0.799 61.584 62.300 0.139 0.000 0.873 619 V CB 1.877 33.739 31.823 0.065 0.000 0.992 619 V HN 0.086 nan 8.190 nan 0.000 0.428 620 D N 3.957 124.360 120.400 0.005 0.000 2.383 620 D HA 0.036 4.674 4.640 -0.004 0.000 0.245 620 D C 1.424 177.692 176.300 -0.053 0.000 1.263 620 D CA -0.122 53.849 54.000 -0.048 0.000 0.936 620 D CB 0.490 41.237 40.800 -0.088 0.000 1.053 620 D HN 0.664 nan 8.370 nan 0.000 0.507 621 N N 3.342 122.011 118.700 -0.052 0.000 2.513 621 N HA -0.196 4.542 4.740 -0.004 0.000 0.187 621 N C 0.720 176.201 175.510 -0.048 0.000 1.056 621 N CA 0.618 53.630 53.050 -0.063 0.000 0.907 621 N CB 0.089 38.533 38.487 -0.071 0.000 0.954 621 N HN 0.404 nan 8.380 nan 0.000 0.445 622 K N 0.012 120.392 120.400 -0.033 0.000 2.400 622 K HA 0.141 4.458 4.320 -0.004 0.000 0.194 622 K C 0.308 176.929 176.600 0.034 0.000 1.033 622 K CA 0.207 56.492 56.287 -0.005 0.000 1.021 622 K CB 0.391 32.888 32.500 -0.006 0.000 0.808 622 K HN 0.099 nan 8.250 nan 0.000 0.505 623 R N 1.253 121.756 120.500 0.005 0.000 2.748 623 R HA 0.341 4.678 4.340 -0.004 0.000 0.283 623 R C -1.004 175.346 176.300 0.084 0.000 1.507 623 R CA -0.074 56.059 56.100 0.055 0.000 1.666 623 R CB 0.618 30.801 30.300 -0.195 0.000 1.237 623 R HN -0.018 nan 8.270 nan 0.000 0.633 624 I N 1.343 122.041 120.570 0.214 0.000 2.354 624 I HA 0.501 4.669 4.170 -0.004 0.000 0.286 624 I C 0.118 176.534 176.117 0.497 0.000 1.007 624 I CA -0.717 60.731 61.300 0.247 0.000 1.167 624 I CB 1.673 39.640 38.000 -0.054 0.000 1.320 624 I HN 0.334 nan 8.210 nan 0.000 0.458 625 A N 7.443 130.662 122.820 0.666 0.000 2.313 625 A HA 0.910 5.228 4.320 -0.004 0.000 0.323 625 A C -0.863 177.081 177.584 0.600 0.000 1.133 625 A CA -0.631 51.748 52.037 0.570 0.000 0.847 625 A CB 1.940 21.121 19.000 0.301 0.000 1.308 625 A HN 0.742 nan 8.150 nan 0.000 0.475 626 I N 0.378 121.199 120.570 0.418 0.000 2.802 626 I HA 0.714 4.882 4.170 -0.004 0.000 0.298 626 I C -1.943 174.418 176.117 0.405 0.000 1.176 626 I CA -0.626 60.843 61.300 0.281 0.000 1.025 626 I CB 1.784 39.629 38.000 -0.258 0.000 1.243 626 I HN 0.955 nan 8.210 nan 0.000 0.424 627 W N 6.751 128.166 121.300 0.192 0.000 3.146 627 W HA 0.800 5.458 4.660 -0.004 0.000 0.319 627 W C -1.630 175.035 176.519 0.244 0.000 1.258 627 W CA -0.806 56.673 57.345 0.224 0.000 1.189 627 W CB 0.942 30.592 29.460 0.317 0.000 1.412 627 W HN 0.855 nan 8.180 nan 0.000 0.567 628 G N 0.770 109.436 108.800 -0.222 0.000 2.547 628 G HA2 0.456 4.414 3.960 -0.004 0.000 0.291 628 G HA3 0.456 4.414 3.960 -0.004 0.000 0.291 628 G C -2.779 172.035 174.900 -0.145 0.000 1.471 628 G CA -0.747 44.070 45.100 -0.472 0.000 0.798 628 G HN 0.632 nan 8.290 nan 0.000 0.504 629 W N 0.998 122.139 121.300 -0.265 0.000 2.666 629 W HA 0.611 5.268 4.660 -0.004 0.000 0.334 629 W C 0.834 177.377 176.519 0.039 0.000 1.051 629 W CA 0.455 57.758 57.345 -0.070 0.000 1.224 629 W CB 1.905 31.338 29.460 -0.045 0.000 1.405 629 W HN 1.275 nan 8.180 nan 0.000 0.513 630 S N 2.502 118.457 115.700 0.425 0.000 4.140 630 S HA -0.427 4.041 4.470 -0.004 0.000 0.618 630 S C 1.103 175.806 174.600 0.172 0.000 1.896 630 S CA 1.786 60.248 58.200 0.436 0.000 4.240 630 S CB -1.851 61.759 63.200 0.683 0.000 0.208 630 S HN 0.727 nan 8.310 nan 0.000 0.487 631 Y N 2.481 122.750 120.300 -0.052 0.000 2.274 631 Y HA 0.065 4.613 4.550 -0.004 0.000 0.290 631 Y C 2.370 178.136 175.900 -0.224 0.000 1.145 631 Y CA 2.484 60.426 58.100 -0.264 0.000 1.203 631 Y CB -1.009 37.030 38.460 -0.702 0.000 0.984 631 Y HN 0.529 nan 8.280 nan 0.000 0.533 632 G N -0.970 107.784 108.800 -0.077 0.000 2.432 632 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.219 632 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.219 632 G C 1.926 176.837 174.900 0.018 0.000 1.135 632 G CA 0.732 45.832 45.100 -0.000 0.000 0.767 632 G HN 0.566 nan 8.290 nan 0.000 0.550 633 G N -0.090 108.736 108.800 0.043 0.000 2.402 633 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.216 633 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.216 633 G C 1.607 176.536 174.900 0.049 0.000 1.162 633 G CA 1.123 46.246 45.100 0.039 0.000 0.777 633 G HN 0.423 nan 8.290 nan 0.000 0.539 634 Y N 1.357 121.559 120.300 -0.164 0.000 2.114 634 Y HA -0.118 4.430 4.550 -0.004 0.000 0.284 634 Y C 2.787 178.599 175.900 -0.147 0.000 1.143 634 Y CA 1.634 59.591 58.100 -0.238 0.000 1.135 634 Y CB -0.572 37.593 38.460 -0.492 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.136 119.660 119.914 -0.197 0.000 2.332 635 V HA -0.338 3.780 4.120 -0.004 0.000 0.248 635 V C 2.334 178.316 176.094 -0.188 0.000 1.055 635 V CA 2.446 64.612 62.300 -0.222 0.000 1.038 635 V CB -1.151 30.689 31.823 0.028 0.000 0.651 635 V HN 0.517 nan 8.190 nan 0.000 0.450 636 T N -0.236 114.261 114.554 -0.096 0.000 2.708 636 T HA -0.188 4.159 4.350 -0.004 0.000 0.266 636 T C 2.146 176.796 174.700 -0.083 0.000 1.037 636 T CA 1.973 64.030 62.100 -0.071 0.000 1.146 636 T CB -0.258 68.646 68.868 0.059 0.000 0.865 636 T HN 0.537 nan 8.240 nan 0.000 0.435 637 S N 1.266 116.959 115.700 -0.013 0.000 2.356 637 S HA -0.048 4.420 4.470 -0.004 0.000 0.223 637 S C 2.161 176.689 174.600 -0.119 0.000 1.032 637 S CA 1.030 59.254 58.200 0.040 0.000 1.005 637 S CB -0.319 62.953 63.200 0.119 0.000 0.867 637 S HN 0.322 nan 8.310 nan 0.000 0.449 638 M N 0.932 120.374 119.600 -0.264 0.000 2.159 638 M HA -0.042 4.436 4.480 -0.004 0.000 0.263 638 M C 2.211 178.361 176.300 -0.250 0.000 1.063 638 M CA 1.067 56.191 55.300 -0.293 0.000 1.110 638 M CB -1.384 30.931 32.600 -0.475 0.000 1.374 638 M HN 0.184 nan 8.290 nan 0.000 0.411 639 V N 0.561 120.318 119.914 -0.262 0.000 2.307 639 V HA -0.230 3.888 4.120 -0.004 0.000 0.245 639 V C 2.499 178.410 176.094 -0.304 0.000 1.045 639 V CA 1.349 63.494 62.300 -0.258 0.000 1.024 639 V CB -0.598 31.009 31.823 -0.361 0.000 0.651 639 V HN 0.394 nan 8.190 nan 0.000 0.449 640 L N 0.451 121.428 121.223 -0.411 0.000 2.191 640 L HA -0.078 4.260 4.340 -0.004 0.000 0.212 640 L C 2.155 178.520 176.870 -0.842 0.000 1.103 640 L CA 1.525 56.026 54.840 -0.566 0.000 0.769 640 L CB -0.680 40.982 42.059 -0.662 0.000 0.908 640 L HN 0.489 nan 8.230 nan 0.000 0.438 641 G N -1.560 106.762 108.800 -0.796 0.000 3.284 641 G HA2 -0.013 3.945 3.960 -0.004 0.000 0.236 641 G HA3 -0.013 3.945 3.960 -0.004 0.000 0.236 641 G C 1.388 176.149 174.900 -0.232 0.000 1.158 641 G CA 0.534 45.284 45.100 -0.584 0.000 0.774 641 G HN 0.417 nan 8.290 nan 0.000 0.545 642 S N -0.861 114.721 115.700 -0.195 0.000 2.528 642 S HA 0.316 4.784 4.470 -0.004 0.000 0.219 642 S C 1.890 176.451 174.600 -0.065 0.000 0.985 642 S CA 0.921 59.063 58.200 -0.098 0.000 0.914 642 S CB -0.001 63.157 63.200 -0.070 0.000 0.776 642 S HN 1.330 nan 8.310 nan 0.000 0.526 643 G N 1.584 110.336 108.800 -0.080 0.000 2.143 643 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.248 643 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.248 643 G C 0.939 175.828 174.900 -0.017 0.000 0.991 643 G CA 0.867 45.940 45.100 -0.045 0.000 0.689 643 G HN 1.243 nan 8.290 nan 0.000 0.522 644 S N -0.596 115.104 115.700 0.000 0.000 2.447 644 S HA 0.282 4.750 4.470 -0.004 0.000 0.233 644 S C 2.644 177.247 174.600 0.005 0.000 1.006 644 S CA 1.760 59.970 58.200 0.017 0.000 0.957 644 S CB -0.269 62.968 63.200 0.061 0.000 0.773 644 S HN 2.440 nan 8.310 nan 0.000 0.507 645 G N 0.079 108.888 108.800 0.015 0.000 2.245 645 G HA2 -0.339 3.618 3.960 -0.004 0.000 0.264 645 G HA3 -0.339 3.618 3.960 -0.004 0.000 0.264 645 G C 0.912 175.796 174.900 -0.026 0.000 0.985 645 G CA 0.499 45.599 45.100 -0.000 0.000 0.625 645 G HN 0.747 nan 8.290 nan 0.000 0.536 646 V N -0.094 119.783 119.914 -0.062 0.000 2.343 646 V HA 0.141 4.259 4.120 -0.004 0.000 0.247 646 V C 1.436 177.294 176.094 -0.394 0.000 1.051 646 V CA 1.859 63.993 62.300 -0.276 0.000 1.036 646 V CB -0.475 31.067 31.823 -0.469 0.000 0.654 646 V HN 0.332 nan 8.190 nan 0.000 0.451 647 F N -0.308 119.657 119.950 0.025 0.000 2.422 647 F HA 0.388 4.913 4.527 -0.004 0.000 0.333 647 F C 1.131 176.971 175.800 0.067 0.000 1.095 647 F CA -0.429 57.611 58.000 0.067 0.000 1.038 647 F CB 1.323 40.365 39.000 0.069 0.000 1.156 647 F HN -0.258 nan 8.300 nan 0.000 0.483 648 K N 1.339 121.899 120.400 0.268 0.000 2.128 648 K HA 0.127 4.445 4.320 -0.004 0.000 0.202 648 K C -0.108 176.609 176.600 0.194 0.000 1.050 648 K CA 0.839 57.240 56.287 0.191 0.000 0.966 648 K CB 0.283 32.891 32.500 0.180 0.000 0.759 648 K HN 0.798 nan 8.250 nan 0.000 0.454 649 c N -2.373 116.371 118.600 0.241 0.000 3.318 649 c HA 0.912 5.479 4.570 -0.004 0.000 0.322 649 c C -0.200 174.102 174.090 0.353 0.000 1.398 649 c CA -0.623 55.870 56.329 0.273 0.000 1.339 649 c CB 1.114 43.696 42.510 0.119 0.000 1.668 649 c HN 0.367 nan 8.230 nan 0.000 0.462 650 G N -0.006 109.085 108.800 0.484 0.000 2.632 650 G HA2 0.682 4.639 3.960 -0.004 0.000 0.292 650 G HA3 0.682 4.639 3.960 -0.004 0.000 0.292 650 G C -1.963 173.188 174.900 0.418 0.000 1.465 650 G CA -0.677 44.682 45.100 0.432 0.000 0.824 650 G HN 0.986 nan 8.290 nan 0.000 0.509 651 I N 1.014 121.802 120.570 0.364 0.000 2.418 651 I HA 0.601 4.769 4.170 -0.004 0.000 0.287 651 I C 0.273 176.541 176.117 0.252 0.000 1.008 651 I CA -0.915 60.493 61.300 0.180 0.000 1.104 651 I CB 2.116 40.216 38.000 0.166 0.000 1.264 651 I HN 0.639 nan 8.210 nan 0.000 0.438 652 A N 6.622 129.475 122.820 0.055 0.000 2.303 652 A HA 0.790 5.108 4.320 -0.004 0.000 0.320 652 A C -0.652 176.865 177.584 -0.113 0.000 1.192 652 A CA -0.503 51.568 52.037 0.057 0.000 0.821 652 A CB 1.104 20.188 19.000 0.140 0.000 1.188 652 A HN 0.456 nan 8.150 nan 0.000 0.492 653 V N 2.036 121.844 119.914 -0.176 0.000 2.417 653 V HA 0.581 4.699 4.120 -0.004 0.000 0.291 653 V C 0.891 176.605 176.094 -0.633 0.000 1.024 653 V CA 0.295 62.276 62.300 -0.533 0.000 0.861 653 V CB 0.790 32.029 31.823 -0.973 0.000 0.985 653 V HN 2.121 nan 8.190 nan 0.000 0.436 654 A N 5.418 127.827 122.820 -0.686 0.000 2.560 654 A HA -0.102 4.216 4.320 -0.004 0.000 0.299 654 A C -1.690 175.712 177.584 -0.304 0.000 1.484 654 A CA 0.499 52.026 52.037 -0.850 0.000 0.749 654 A CB -1.603 17.090 19.000 -0.510 0.000 1.072 654 A HN 0.622 nan 8.150 nan 0.000 0.426 655 P HA 0.437 nan 4.420 nan 0.000 0.276 655 P C 0.170 177.425 177.300 -0.075 0.000 1.244 655 P CA -0.236 62.828 63.100 -0.060 0.000 0.801 655 P CB 1.340 33.036 31.700 -0.007 0.000 1.006 656 V N 1.962 121.736 119.914 -0.233 0.000 2.732 656 V HA 0.119 4.237 4.120 -0.004 0.000 0.297 656 V C 1.654 177.520 176.094 -0.379 0.000 1.060 656 V CA 0.836 62.844 62.300 -0.487 0.000 1.038 656 V CB 0.920 32.058 31.823 -1.143 0.000 1.003 656 V HN 0.850 nan 8.190 nan 0.000 0.481 657 S N 3.352 118.858 115.700 -0.323 0.000 2.619 657 S HA 0.246 4.714 4.470 -0.004 0.000 0.238 657 S C 0.424 174.837 174.600 -0.311 0.000 1.068 657 S CA -0.372 57.722 58.200 -0.176 0.000 0.926 657 S CB 0.337 63.512 63.200 -0.041 0.000 0.864 657 S HN 0.834 nan 8.310 nan 0.000 0.493 658 R N -1.002 119.192 120.500 -0.509 0.000 2.515 658 R HA 0.479 4.817 4.340 -0.004 0.000 0.278 658 R C -0.837 175.124 176.300 -0.565 0.000 1.107 658 R CA -0.850 54.900 56.100 -0.582 0.000 0.945 658 R CB -0.150 29.748 30.300 -0.669 0.000 1.219 658 R HN 0.137 nan 8.270 nan 0.000 0.434 659 W N 1.603 122.811 121.300 -0.153 0.000 2.364 659 W HA -0.084 4.574 4.660 -0.004 0.000 0.281 659 W C 1.176 177.822 176.519 0.211 0.000 1.219 659 W CA 0.974 58.325 57.345 0.010 0.000 1.220 659 W CB 0.219 29.619 29.460 -0.100 0.000 1.127 659 W HN 0.730 nan 8.180 nan 0.000 0.556 660 E N -1.125 119.237 120.200 0.269 0.000 2.409 660 E HA -0.181 4.167 4.350 -0.004 0.000 0.198 660 E C 1.241 177.970 176.600 0.215 0.000 1.024 660 E CA 0.736 57.242 56.400 0.175 0.000 0.861 660 E CB -0.177 29.518 29.700 -0.009 0.000 0.788 660 E HN 0.377 nan 8.360 nan 0.000 0.521 661 Y N -1.574 118.817 120.300 0.152 0.000 2.517 661 Y HA 0.060 4.608 4.550 -0.004 0.000 0.281 661 Y C 0.712 176.710 175.900 0.163 0.000 1.125 661 Y CA -0.310 57.852 58.100 0.103 0.000 1.283 661 Y CB -0.428 38.039 38.460 0.011 0.000 1.042 661 Y HN 0.015 nan 8.280 nan 0.000 0.547 662 Y N 1.994 122.451 120.300 0.262 0.000 2.340 662 Y HA 0.264 4.812 4.550 -0.004 0.000 0.327 662 Y C 0.414 176.540 175.900 0.377 0.000 1.321 662 Y CA -1.894 56.373 58.100 0.280 0.000 1.433 662 Y CB 0.306 38.976 38.460 0.350 0.000 1.373 662 Y HN 0.195 nan 8.280 nan 0.000 0.538 663 D N -0.721 119.395 120.400 -0.473 0.000 2.357 663 D HA 0.118 4.756 4.640 -0.004 0.000 0.242 663 D C 0.955 177.271 176.300 0.026 0.000 1.153 663 D CA 0.300 54.136 54.000 -0.274 0.000 0.918 663 D CB 0.891 41.313 40.800 -0.630 0.000 1.181 663 D HN 0.478 nan 8.370 nan 0.000 0.435 664 S N 1.033 116.743 115.700 0.018 0.000 2.353 664 S HA -0.240 4.228 4.470 -0.004 0.000 0.222 664 S C 1.953 176.595 174.600 0.070 0.000 1.035 664 S CA 1.276 59.531 58.200 0.092 0.000 1.025 664 S CB -1.109 62.146 63.200 0.093 0.000 0.902 664 S HN 0.436 nan 8.310 nan 0.000 0.440 665 V N 0.977 120.872 119.914 -0.032 0.000 2.282 665 V HA -0.205 3.912 4.120 -0.004 0.000 0.249 665 V C 2.337 178.357 176.094 -0.123 0.000 1.057 665 V CA 2.377 64.567 62.300 -0.183 0.000 1.032 665 V CB -1.149 30.413 31.823 -0.435 0.000 0.645 665 V HN 0.627 nan 8.190 nan 0.000 0.447 666 Y N 1.316 121.578 120.300 -0.063 0.000 2.153 666 Y HA -0.191 4.356 4.550 -0.004 0.000 0.289 666 Y C 2.720 178.637 175.900 0.029 0.000 1.127 666 Y CA 2.210 60.343 58.100 0.055 0.000 1.131 666 Y CB -0.619 38.080 38.460 0.399 0.000 0.995 666 Y HN 0.231 nan 8.280 nan 0.000 0.505 667 T N 0.364 115.152 114.554 0.391 0.000 2.708 667 T HA -0.205 4.143 4.350 -0.004 0.000 0.266 667 T C 1.569 176.238 174.700 -0.052 0.000 1.037 667 T CA 1.956 64.193 62.100 0.229 0.000 1.146 667 T CB -0.343 68.817 68.868 0.486 0.000 0.865 667 T HN 0.427 nan 8.240 nan 0.000 0.435 668 E N 0.517 120.724 120.200 0.011 0.000 2.204 668 E HA -0.083 4.265 4.350 -0.004 0.000 0.194 668 E C 2.364 178.844 176.600 -0.200 0.000 0.989 668 E CA 0.389 56.786 56.400 -0.006 0.000 0.824 668 E CB -0.110 29.635 29.700 0.075 0.000 0.756 668 E HN 0.333 nan 8.360 nan 0.000 0.477 669 R N 0.077 120.298 120.500 -0.465 0.000 2.091 669 R HA -0.194 4.144 4.340 -0.004 0.000 0.238 669 R C 1.271 177.042 176.300 -0.881 0.000 1.136 669 R CA 1.615 57.255 56.100 -0.766 0.000 0.959 669 R CB 0.001 29.526 30.300 -1.291 0.000 0.856 669 R HN 0.256 nan 8.270 nan 0.000 0.437 670 Y N -1.970 118.026 120.300 -0.507 0.000 2.524 670 Y HA 0.195 4.743 4.550 -0.004 0.000 0.270 670 Y C 1.793 177.524 175.900 -0.281 0.000 1.094 670 Y CA 0.090 57.909 58.100 -0.469 0.000 1.276 670 Y CB 0.334 38.385 38.460 -0.681 0.000 1.130 670 Y HN -0.060 nan 8.280 nan 0.000 0.536 671 M N -0.175 119.312 119.600 -0.187 0.000 2.333 671 M HA 0.349 4.827 4.480 -0.004 0.000 0.257 671 M C 1.067 177.375 176.300 0.014 0.000 1.078 671 M CA 0.711 55.898 55.300 -0.189 0.000 1.005 671 M CB -0.545 31.732 32.600 -0.539 0.000 1.444 671 M HN 0.354 nan 8.290 nan 0.000 0.496 672 G N 1.915 110.741 108.800 0.043 0.000 2.645 672 G HA2 -0.256 3.701 3.960 -0.004 0.000 0.246 672 G HA3 -0.256 3.701 3.960 -0.004 0.000 0.246 672 G C -0.427 174.611 174.900 0.230 0.000 1.322 672 G CA -0.708 44.459 45.100 0.111 0.000 0.898 672 G HN 0.374 nan 8.290 nan 0.000 0.573 673 L N 2.089 123.417 121.223 0.175 0.000 2.350 673 L HA 0.394 4.732 4.340 -0.004 0.000 0.275 673 L C -1.324 175.575 176.870 0.048 0.000 1.099 673 L CA -1.686 53.222 54.840 0.113 0.000 0.808 673 L CB 1.747 43.830 42.059 0.040 0.000 1.149 673 L HN 0.452 nan 8.230 nan 0.000 0.442 674 P HA 0.052 nan 4.420 nan 0.000 0.225 674 P C -0.479 176.672 177.300 -0.249 0.000 1.768 674 P CA -0.095 62.595 63.100 -0.684 0.000 0.943 674 P CB -0.453 30.455 31.700 -1.321 0.000 1.936 675 T N -2.914 111.590 114.554 -0.084 0.000 2.924 675 T HA 0.454 4.801 4.350 -0.004 0.000 0.291 675 T C -1.946 172.756 174.700 0.003 0.000 1.045 675 T CA -2.418 59.658 62.100 -0.040 0.000 1.015 675 T CB 1.999 70.854 68.868 -0.022 0.000 1.103 675 T HN -0.207 nan 8.240 nan 0.000 0.496 676 P HA -0.099 nan 4.420 nan 0.000 0.218 676 P C 0.780 178.096 177.300 0.026 0.000 1.148 676 P CA 1.243 64.355 63.100 0.020 0.000 0.822 676 P CB 0.162 31.869 31.700 0.013 0.000 0.784 677 E N -0.765 119.447 120.200 0.019 0.000 2.274 677 E HA -0.090 4.258 4.350 -0.004 0.000 0.194 677 E C 1.609 178.227 176.600 0.030 0.000 0.996 677 E CA 0.828 57.240 56.400 0.020 0.000 0.840 677 E CB -0.419 29.288 29.700 0.011 0.000 0.772 677 E HN 0.342 nan 8.360 nan 0.000 0.491 678 D N -0.736 119.689 120.400 0.042 0.000 2.931 678 D HA 0.061 4.699 4.640 -0.004 0.000 0.241 678 D C 0.323 176.680 176.300 0.096 0.000 1.494 678 D CA 0.220 54.257 54.000 0.062 0.000 1.260 678 D CB 0.069 40.908 40.800 0.065 0.000 0.953 678 D HN -0.016 nan 8.370 nan 0.000 0.240 679 N N -0.055 118.737 118.700 0.154 0.000 2.305 679 N HA 0.075 4.812 4.740 -0.004 0.000 0.248 679 N C 1.051 176.759 175.510 0.329 0.000 1.290 679 N CA -0.087 53.096 53.050 0.222 0.000 0.873 679 N CB 0.154 38.782 38.487 0.234 0.000 1.261 679 N HN 0.090 nan 8.380 nan 0.000 0.504 680 L N 0.563 121.910 121.223 0.207 0.000 2.021 680 L HA -0.160 4.178 4.340 -0.004 0.000 0.215 680 L C 1.266 178.254 176.870 0.195 0.000 1.074 680 L CA 2.040 56.977 54.840 0.162 0.000 0.760 680 L CB -0.480 41.598 42.059 0.033 0.000 0.889 680 L HN 0.149 nan 8.230 nan 0.000 0.433 681 D N -1.337 119.152 120.400 0.149 0.000 2.149 681 D HA -0.278 4.359 4.640 -0.004 0.000 0.194 681 D C 2.093 178.483 176.300 0.150 0.000 1.001 681 D CA 1.876 55.951 54.000 0.125 0.000 0.849 681 D CB -0.226 40.636 40.800 0.105 0.000 0.939 681 D HN 0.613 nan 8.370 nan 0.000 0.449 682 H N -0.998 118.139 119.070 0.112 0.000 2.462 682 H HA -0.055 4.499 4.556 -0.004 0.000 0.292 682 H C 1.710 177.108 175.328 0.116 0.000 1.049 682 H CA 1.120 57.214 56.048 0.075 0.000 1.334 682 H CB -0.271 29.499 29.762 0.013 0.000 1.404 682 H HN 0.160 nan 8.280 nan 0.000 0.544 683 Y N 0.300 120.576 120.300 -0.039 0.000 2.145 683 Y HA -0.169 4.379 4.550 -0.004 0.000 0.286 683 Y C 2.302 178.165 175.900 -0.062 0.000 1.145 683 Y CA 1.482 59.572 58.100 -0.017 0.000 1.148 683 Y CB 0.137 38.622 38.460 0.042 0.000 0.981 683 Y HN 0.110 nan 8.280 nan 0.000 0.507 684 R N -0.178 120.396 120.500 0.123 0.000 2.236 684 R HA -0.070 4.268 4.340 -0.004 0.000 0.208 684 R C 1.427 177.720 176.300 -0.011 0.000 1.036 684 R CA 0.646 56.770 56.100 0.038 0.000 1.001 684 R CB -0.795 29.527 30.300 0.037 0.000 0.896 684 R HN 0.502 nan 8.270 nan 0.000 0.464 685 N N 0.509 119.177 118.700 -0.053 0.000 2.392 685 N HA -0.049 4.689 4.740 -0.004 0.000 0.177 685 N C 0.122 175.569 175.510 -0.105 0.000 1.066 685 N CA 0.422 53.434 53.050 -0.064 0.000 0.895 685 N CB 0.412 38.889 38.487 -0.018 0.000 0.988 685 N HN 0.084 nan 8.380 nan 0.000 0.457 686 S N 0.016 115.608 115.700 -0.180 0.000 2.537 686 S HA 0.076 4.544 4.470 -0.004 0.000 0.246 686 S C 0.430 175.079 174.600 0.082 0.000 1.036 686 S CA -0.780 57.389 58.200 -0.051 0.000 1.041 686 S CB -0.121 63.019 63.200 -0.101 0.000 0.799 686 S HN 0.152 nan 8.310 nan 0.000 0.456 687 T N -1.758 112.798 114.554 0.002 0.000 2.922 687 T HA 0.519 4.867 4.350 -0.004 0.000 0.285 687 T C 1.283 175.980 174.700 -0.005 0.000 1.005 687 T CA -0.655 61.431 62.100 -0.023 0.000 1.061 687 T CB 1.364 70.186 68.868 -0.077 0.000 1.007 687 T HN -0.031 nan 8.240 nan 0.000 0.502 688 V N 1.820 121.728 119.914 -0.010 0.000 2.379 688 V HA -0.107 4.011 4.120 -0.004 0.000 0.245 688 V C 2.638 178.703 176.094 -0.049 0.000 1.044 688 V CA 1.517 63.804 62.300 -0.022 0.000 1.036 688 V CB -0.940 30.867 31.823 -0.026 0.000 0.664 688 V HN 0.817 nan 8.190 nan 0.000 0.453 689 M N 1.313 120.868 119.600 -0.074 0.000 2.144 689 M HA -0.183 4.295 4.480 -0.004 0.000 0.260 689 M C 2.304 178.573 176.300 -0.053 0.000 1.067 689 M CA 2.247 57.496 55.300 -0.085 0.000 1.095 689 M CB -1.071 31.491 32.600 -0.062 0.000 1.365 689 M HN 0.533 nan 8.290 nan 0.000 0.406 690 S N -0.645 115.037 115.700 -0.030 0.000 2.547 690 S HA -0.057 4.411 4.470 -0.004 0.000 0.235 690 S C 1.655 176.259 174.600 0.007 0.000 0.980 690 S CA 0.649 58.842 58.200 -0.012 0.000 0.941 690 S CB -0.373 62.821 63.200 -0.011 0.000 0.763 690 S HN 0.533 nan 8.310 nan 0.000 0.532 691 R N 0.045 120.561 120.500 0.027 0.000 2.509 691 R HA 0.500 4.838 4.340 -0.004 0.000 0.300 691 R C 2.071 178.466 176.300 0.160 0.000 0.985 691 R CA 0.443 56.587 56.100 0.074 0.000 1.092 691 R CB -0.110 30.235 30.300 0.074 0.000 1.237 691 R HN 0.409 nan 8.270 nan 0.000 0.546 692 A N 1.498 124.353 122.820 0.058 0.000 1.927 692 A HA -0.310 4.008 4.320 -0.004 0.000 0.220 692 A C 2.038 179.688 177.584 0.111 0.000 1.185 692 A CA 2.121 54.156 52.037 -0.003 0.000 0.639 692 A CB -0.299 18.642 19.000 -0.098 0.000 0.820 692 A HN 0.316 nan 8.150 nan 0.000 0.451 693 E N 0.501 120.749 120.200 0.081 0.000 2.160 693 E HA -0.172 4.175 4.350 -0.004 0.000 0.195 693 E C 1.645 178.303 176.600 0.096 0.000 0.991 693 E CA 1.565 58.011 56.400 0.077 0.000 0.810 693 E CB -0.278 29.450 29.700 0.046 0.000 0.742 693 E HN 0.604 nan 8.360 nan 0.000 0.466 694 N N -0.503 118.257 118.700 0.099 0.000 2.459 694 N HA -0.091 4.647 4.740 -0.004 0.000 0.181 694 N C 0.801 176.313 175.510 0.003 0.000 1.046 694 N CA 0.491 53.558 53.050 0.028 0.000 0.904 694 N CB -0.194 38.268 38.487 -0.041 0.000 0.964 694 N HN 0.255 nan 8.380 nan 0.000 0.444 695 F N 1.322 121.229 119.950 -0.072 0.000 2.722 695 F HA 0.009 4.533 4.527 -0.004 0.000 0.298 695 F C 1.953 177.753 175.800 -0.000 0.000 1.175 695 F CA 0.603 58.553 58.000 -0.083 0.000 1.462 695 F CB 0.172 39.073 39.000 -0.165 0.000 1.111 695 F HN -0.077 nan 8.300 nan 0.000 0.592 696 K N -0.124 120.369 120.400 0.156 0.000 2.365 696 K HA -0.118 4.200 4.320 -0.004 0.000 0.199 696 K C 1.513 178.169 176.600 0.092 0.000 1.045 696 K CA 0.763 57.125 56.287 0.126 0.000 0.962 696 K CB -0.065 32.491 32.500 0.094 0.000 0.759 696 K HN 0.401 nan 8.250 nan 0.000 0.469 697 Q N 0.194 120.027 119.800 0.054 0.000 2.403 697 Q HA 0.030 4.368 4.340 -0.004 0.000 0.203 697 Q C 0.286 176.316 176.000 0.050 0.000 0.932 697 Q CA 0.094 55.919 55.803 0.037 0.000 0.945 697 Q CB 0.649 29.390 28.738 0.006 0.000 1.045 697 Q HN 0.122 nan 8.270 nan 0.000 0.511 698 V N -3.330 116.625 119.914 0.068 0.000 3.160 698 V HA 0.487 4.605 4.120 -0.004 0.000 0.310 698 V C -1.376 174.846 176.094 0.213 0.000 1.181 698 V CA -1.307 61.059 62.300 0.109 0.000 1.047 698 V CB 2.382 34.231 31.823 0.044 0.000 1.068 698 V HN -0.067 nan 8.190 nan 0.000 0.441 699 E N 1.287 121.645 120.200 0.265 0.000 2.146 699 E HA 0.501 4.849 4.350 -0.004 0.000 0.282 699 E C -1.884 175.090 176.600 0.622 0.000 0.989 699 E CA -0.351 56.286 56.400 0.396 0.000 0.799 699 E CB 1.715 31.574 29.700 0.265 0.000 1.088 699 E HN 0.679 nan 8.360 nan 0.000 0.397 700 Y N 3.471 124.046 120.300 0.459 0.000 2.409 700 Y HA 0.474 5.022 4.550 -0.003 0.000 0.343 700 Y C -1.701 174.283 175.900 0.141 0.000 0.973 700 Y CA -1.460 56.844 58.100 0.340 0.000 1.064 700 Y CB 1.103 39.796 38.460 0.389 0.000 1.207 700 Y HN 0.410 nan 8.280 nan 0.000 0.452 701 L N 7.744 128.697 121.223 -0.451 0.000 2.343 701 L HA 0.596 4.934 4.340 -0.004 0.000 0.278 701 L C -2.216 174.225 176.870 -0.714 0.000 0.996 701 L CA -0.815 53.614 54.840 -0.685 0.000 0.831 701 L CB 1.224 42.543 42.059 -1.232 0.000 1.232 701 L HN 0.642 nan 8.230 nan 0.000 0.413 702 L N 6.532 127.420 121.223 -0.558 0.000 2.307 702 L HA 0.727 5.065 4.340 -0.004 0.000 0.284 702 L C -1.088 175.655 176.870 -0.211 0.000 1.023 702 L CA -0.028 54.515 54.840 -0.495 0.000 0.810 702 L CB 1.254 43.055 42.059 -0.429 0.000 1.231 702 L HN 0.615 nan 8.230 nan 0.000 0.423 703 I N 4.315 124.775 120.570 -0.183 0.000 2.686 703 I HA 0.465 4.632 4.170 -0.004 0.000 0.295 703 I C -1.263 174.839 176.117 -0.024 0.000 1.114 703 I CA -0.710 60.538 61.300 -0.085 0.000 1.038 703 I CB 2.193 40.111 38.000 -0.138 0.000 1.238 703 I HN 0.694 nan 8.210 nan 0.000 0.420 704 H N 1.983 121.091 119.070 0.063 0.000 3.112 704 H HA 0.482 5.036 4.556 -0.004 0.000 0.347 704 H C -0.474 175.065 175.328 0.351 0.000 1.188 704 H CA -0.640 55.487 56.048 0.132 0.000 1.240 704 H CB 2.044 31.820 29.762 0.023 0.000 1.920 704 H HN 0.753 nan 8.280 nan 0.000 0.535 705 G N 0.882 110.045 108.800 0.604 0.000 2.390 705 G HA2 0.217 4.175 3.960 -0.004 0.000 0.270 705 G HA3 0.217 4.175 3.960 -0.004 0.000 0.270 705 G C 1.133 176.318 174.900 0.476 0.000 1.211 705 G CA 0.128 45.529 45.100 0.502 0.000 0.842 705 G HN 0.743 nan 8.290 nan 0.000 0.519 706 T N -0.666 114.033 114.554 0.242 0.000 3.035 706 T HA 0.074 4.422 4.350 -0.004 0.000 0.268 706 T C 1.706 176.377 174.700 -0.049 0.000 1.109 706 T CA 1.285 63.339 62.100 -0.076 0.000 1.119 706 T CB 0.167 68.906 68.868 -0.215 0.000 0.900 706 T HN 0.669 nan 8.240 nan 0.000 0.503 707 A N 0.900 123.765 122.820 0.075 0.000 2.610 707 A HA 0.298 4.616 4.320 -0.004 0.000 0.286 707 A C 0.465 178.003 177.584 -0.077 0.000 1.306 707 A CA -0.494 51.552 52.037 0.015 0.000 0.942 707 A CB -0.239 19.037 19.000 0.461 0.000 1.112 707 A HN 0.382 nan 8.150 nan 0.000 0.527 708 D N 1.676 122.069 120.400 -0.012 0.000 2.349 708 D HA -0.026 4.612 4.640 -0.004 0.000 0.266 708 D C 0.318 176.572 176.300 -0.078 0.000 1.293 708 D CA 0.255 54.338 54.000 0.140 0.000 0.926 708 D CB 0.638 41.667 40.800 0.382 0.000 1.090 708 D HN 0.573 nan 8.370 nan 0.000 0.502 709 D N 2.320 122.726 120.400 0.010 0.000 2.348 709 D HA -0.136 4.502 4.640 -0.004 0.000 0.211 709 D C 0.976 177.199 176.300 -0.128 0.000 0.998 709 D CA -0.074 53.872 54.000 -0.090 0.000 0.873 709 D CB 0.413 41.131 40.800 -0.137 0.000 0.925 709 D HN 0.222 nan 8.370 nan 0.000 0.524 710 N N 0.882 119.608 118.700 0.042 0.000 2.335 710 N HA -0.059 4.679 4.740 -0.004 0.000 0.197 710 N C -0.053 175.328 175.510 -0.215 0.000 1.045 710 N CA 0.535 53.635 53.050 0.083 0.000 0.928 710 N CB 0.243 38.841 38.487 0.185 0.000 1.118 710 N HN -0.110 nan 8.380 nan 0.000 0.471 711 V N 3.810 123.621 119.914 -0.173 0.000 2.304 711 V HA 0.197 4.315 4.120 -0.004 0.000 0.269 711 V C -0.609 175.485 176.094 -0.001 0.000 1.036 711 V CA -0.684 61.561 62.300 -0.090 0.000 0.840 711 V CB -0.047 31.762 31.823 -0.024 0.000 1.036 711 V HN 0.337 nan 8.190 nan 0.000 0.466 712 H N 3.567 122.594 119.070 -0.072 0.000 2.972 712 H HA -0.031 4.523 4.556 -0.004 0.000 0.343 712 H C 0.915 176.085 175.328 -0.263 0.000 1.054 712 H CA -0.083 55.848 56.048 -0.194 0.000 1.412 712 H CB 0.497 30.071 29.762 -0.314 0.000 1.385 712 H HN 0.623 nan 8.280 nan 0.000 0.600 713 F N 2.069 121.786 119.950 -0.389 0.000 2.184 713 F HA -0.296 4.229 4.527 -0.004 0.000 0.301 713 F C 2.581 178.098 175.800 -0.473 0.000 1.076 713 F CA 1.961 59.524 58.000 -0.728 0.000 1.295 713 F CB -0.092 38.668 39.000 -0.400 0.000 1.026 713 F HN 0.670 nan 8.300 nan 0.000 0.494 714 Q N 0.172 119.846 119.800 -0.211 0.000 2.197 714 Q HA -0.319 4.019 4.340 -0.004 0.000 0.211 714 Q C 2.041 177.812 176.000 -0.382 0.000 0.993 714 Q CA 2.304 57.928 55.803 -0.297 0.000 0.883 714 Q CB -0.376 28.153 28.738 -0.348 0.000 0.916 714 Q HN 0.605 nan 8.270 nan 0.000 0.418 715 Q N -0.364 119.264 119.800 -0.286 0.000 2.084 715 Q HA -0.110 4.228 4.340 -0.004 0.000 0.202 715 Q C 2.208 178.122 176.000 -0.144 0.000 0.978 715 Q CA 1.683 57.435 55.803 -0.086 0.000 0.844 715 Q CB -0.039 28.721 28.738 0.036 0.000 0.898 715 Q HN 0.335 nan 8.270 nan 0.000 0.426 716 S N 0.543 116.053 115.700 -0.318 0.000 2.446 716 S HA 0.036 4.503 4.470 -0.004 0.000 0.225 716 S C 1.997 176.345 174.600 -0.420 0.000 1.016 716 S CA 0.621 58.624 58.200 -0.329 0.000 0.943 716 S CB 0.005 63.001 63.200 -0.341 0.000 0.786 716 S HN 0.449 nan 8.310 nan 0.000 0.508 717 A N 1.380 123.866 122.820 -0.557 0.000 1.933 717 A HA -0.111 4.206 4.320 -0.004 0.000 0.218 717 A C 2.101 179.582 177.584 -0.173 0.000 1.175 717 A CA 1.081 52.919 52.037 -0.331 0.000 0.628 717 A CB -0.357 18.519 19.000 -0.206 0.000 0.814 717 A HN 0.352 nan 8.150 nan 0.000 0.444 718 Q N -0.616 119.092 119.800 -0.153 0.000 2.245 718 Q HA 0.046 4.383 4.340 -0.004 0.000 0.201 718 Q C 2.043 177.992 176.000 -0.086 0.000 0.955 718 Q CA 0.819 56.584 55.803 -0.063 0.000 0.870 718 Q CB -0.221 28.553 28.738 0.060 0.000 0.945 718 Q HN 0.777 nan 8.270 nan 0.000 0.461 719 I N 1.028 121.518 120.570 -0.134 0.000 2.202 719 I HA -0.263 3.905 4.170 -0.004 0.000 0.242 719 I C 2.570 178.526 176.117 -0.269 0.000 1.091 719 I CA 1.357 62.534 61.300 -0.205 0.000 1.368 719 I CB -0.336 37.544 38.000 -0.201 0.000 1.058 719 I HN 0.173 nan 8.210 nan 0.000 0.410 720 S N 0.987 116.556 115.700 -0.218 0.000 2.368 720 S HA -0.294 4.174 4.470 -0.004 0.000 0.225 720 S C 2.063 176.644 174.600 -0.033 0.000 1.030 720 S CA 1.588 59.705 58.200 -0.138 0.000 0.999 720 S CB -0.461 62.788 63.200 0.083 0.000 0.844 720 S HN 0.364 nan 8.310 nan 0.000 0.459 721 K N 1.698 122.077 120.400 -0.035 0.000 2.057 721 K HA 0.014 4.332 4.320 -0.004 0.000 0.207 721 K C 2.301 178.884 176.600 -0.028 0.000 1.049 721 K CA 1.232 57.514 56.287 -0.009 0.000 0.931 721 K CB -0.757 31.734 32.500 -0.015 0.000 0.714 721 K HN 0.455 nan 8.250 nan 0.000 0.440 722 A N 0.984 123.759 122.820 -0.075 0.000 1.933 722 A HA -0.117 4.201 4.320 -0.004 0.000 0.218 722 A C 2.103 179.625 177.584 -0.102 0.000 1.175 722 A CA 1.380 53.365 52.037 -0.086 0.000 0.628 722 A CB -0.591 18.339 19.000 -0.117 0.000 0.814 722 A HN 0.337 nan 8.150 nan 0.000 0.444 723 L N -0.743 120.378 121.223 -0.170 0.000 2.093 723 L HA -0.118 4.220 4.340 -0.004 0.000 0.208 723 L C 2.466 179.356 176.870 0.033 0.000 1.085 723 L CA 0.782 55.531 54.840 -0.153 0.000 0.755 723 L CB -0.451 41.376 42.059 -0.387 0.000 0.904 723 L HN 0.234 nan 8.230 nan 0.000 0.435 724 V N -0.278 119.688 119.914 0.086 0.000 2.427 724 V HA -0.266 3.852 4.120 -0.004 0.000 0.248 724 V C 1.904 178.035 176.094 0.061 0.000 1.051 724 V CA 1.742 64.112 62.300 0.118 0.000 1.048 724 V CB -0.477 31.416 31.823 0.115 0.000 0.666 724 V HN 0.405 nan 8.190 nan 0.000 0.456 725 D N 0.227 120.645 120.400 0.030 0.000 2.264 725 D HA -0.094 4.544 4.640 -0.004 0.000 0.208 725 D C 1.668 177.981 176.300 0.021 0.000 0.966 725 D CA 1.502 55.514 54.000 0.019 0.000 0.864 725 D CB -0.015 40.788 40.800 0.005 0.000 0.933 725 D HN 0.549 nan 8.370 nan 0.000 0.499 726 V N -3.825 116.103 119.914 0.023 0.000 3.376 726 V HA 0.527 4.645 4.120 -0.004 0.000 0.313 726 V C 1.127 177.249 176.094 0.048 0.000 1.393 726 V CA 0.148 62.465 62.300 0.029 0.000 1.125 726 V CB -0.074 31.762 31.823 0.023 0.000 1.037 726 V HN 0.123 nan 8.190 nan 0.000 0.440 727 G N 0.559 109.395 108.800 0.059 0.000 2.272 727 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.280 727 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.280 727 G C -0.120 174.840 174.900 0.099 0.000 1.067 727 G CA 0.279 45.422 45.100 0.072 0.000 0.902 727 G HN 0.900 nan 8.290 nan 0.000 0.500 728 V N 0.316 120.309 119.914 0.132 0.000 2.394 728 V HA 0.491 4.609 4.120 -0.004 0.000 0.282 728 V C 0.324 176.595 176.094 0.295 0.000 1.031 728 V CA -0.547 61.864 62.300 0.185 0.000 0.881 728 V CB 1.820 33.741 31.823 0.164 0.000 0.982 728 V HN 0.451 nan 8.190 nan 0.000 0.451 729 D N 3.939 124.492 120.400 0.255 0.000 2.255 729 D HA 0.635 5.273 4.640 -0.004 0.000 0.249 729 D C -0.624 175.907 176.300 0.384 0.000 1.078 729 D CA 0.077 54.214 54.000 0.230 0.000 0.896 729 D CB 0.900 41.773 40.800 0.121 0.000 1.194 729 D HN 0.355 nan 8.370 nan 0.000 0.429 730 F N -0.209 119.821 119.950 0.133 0.000 2.779 730 F HA 0.462 4.987 4.527 -0.004 0.000 0.316 730 F C -1.513 174.348 175.800 0.102 0.000 1.164 730 F CA -1.131 56.971 58.000 0.171 0.000 0.924 730 F CB 0.718 39.856 39.000 0.231 0.000 1.348 730 F HN 0.094 nan 8.300 nan 0.000 0.467 731 Q N 1.333 121.224 119.800 0.153 0.000 2.235 731 Q HA 0.808 5.146 4.340 -0.004 0.000 0.256 731 Q C -0.834 175.173 176.000 0.011 0.000 0.951 731 Q CA -0.737 55.054 55.803 -0.020 0.000 0.890 731 Q CB 2.085 30.831 28.738 0.013 0.000 1.279 731 Q HN 1.036 nan 8.270 nan 0.000 0.444 732 A N 1.839 124.621 122.820 -0.063 0.000 2.556 732 A HA 0.850 5.168 4.320 -0.004 0.000 0.294 732 A C -1.350 176.179 177.584 -0.091 0.000 1.091 732 A CA -0.583 51.457 52.037 0.006 0.000 0.704 732 A CB 2.014 21.083 19.000 0.115 0.000 1.300 732 A HN 0.630 nan 8.150 nan 0.000 0.406 733 M N 1.239 120.772 119.600 -0.111 0.000 2.294 733 M HA 0.589 5.067 4.480 -0.004 0.000 0.280 733 M C -2.115 174.068 176.300 -0.195 0.000 1.085 733 M CA -0.448 54.646 55.300 -0.342 0.000 0.969 733 M CB 1.205 33.490 32.600 -0.524 0.000 1.770 733 M HN 0.994 nan 8.290 nan 0.000 0.485 734 W N 4.228 125.359 121.300 -0.282 0.000 2.578 734 W HA 0.781 5.439 4.660 -0.004 0.000 0.346 734 W C -2.085 174.160 176.519 -0.456 0.000 1.075 734 W CA -0.883 56.387 57.345 -0.125 0.000 1.233 734 W CB 0.475 29.923 29.460 -0.019 0.000 1.358 734 W HN 0.608 nan 8.180 nan 0.000 0.574 735 Y N 2.534 122.959 120.300 0.210 0.000 2.464 735 Y HA 0.302 4.849 4.550 -0.004 0.000 0.326 735 Y C 0.569 176.577 175.900 0.181 0.000 0.969 735 Y CA -1.067 57.070 58.100 0.061 0.000 1.270 735 Y CB 1.219 39.696 38.460 0.027 0.000 1.103 735 Y HN 0.440 nan 8.280 nan 0.000 0.491 736 T N 4.613 119.328 114.554 0.268 0.000 2.866 736 T HA -0.055 4.293 4.350 -0.004 0.000 0.293 736 T C 0.228 175.005 174.700 0.128 0.000 1.005 736 T CA 0.743 62.958 62.100 0.192 0.000 1.162 736 T CB -0.134 68.788 68.868 0.090 0.000 0.968 736 T HN 0.688 nan 8.240 nan 0.000 0.530 737 D N 0.966 121.414 120.400 0.079 0.000 3.039 737 D HA -0.126 4.512 4.640 -0.004 0.000 0.222 737 D C 0.278 176.709 176.300 0.218 0.000 1.179 737 D CA 1.126 55.115 54.000 -0.018 0.000 0.880 737 D CB -0.365 40.219 40.800 -0.359 0.000 1.115 737 D HN 0.544 nan 8.370 nan 0.000 0.416 738 E N 0.720 121.071 120.200 0.253 0.000 2.277 738 E HA 0.356 4.704 4.350 -0.004 0.000 0.274 738 E C 0.697 177.488 176.600 0.318 0.000 1.022 738 E CA -0.367 56.204 56.400 0.285 0.000 0.853 738 E CB 1.258 31.121 29.700 0.273 0.000 1.086 738 E HN 0.324 nan 8.360 nan 0.000 0.397 739 D N -0.649 119.951 120.400 0.334 0.000 2.560 739 D HA 0.009 4.647 4.640 -0.004 0.000 0.277 739 D C 1.061 177.606 176.300 0.409 0.000 1.194 739 D CA -0.220 53.999 54.000 0.365 0.000 1.092 739 D CB -0.123 40.914 40.800 0.395 0.000 1.169 739 D HN 0.395 nan 8.370 nan 0.000 0.607 740 H N -1.568 117.696 119.070 0.323 0.000 2.489 740 H HA 0.060 4.614 4.556 -0.004 0.000 0.295 740 H C 1.848 177.467 175.328 0.486 0.000 1.082 740 H CA 2.118 58.383 56.048 0.363 0.000 1.295 740 H CB -0.370 29.590 29.762 0.330 0.000 1.380 740 H HN 0.498 nan 8.280 nan 0.000 0.548 741 G N -0.465 108.552 108.800 0.361 0.000 2.744 741 G HA2 0.029 3.986 3.960 -0.004 0.000 0.211 741 G HA3 0.029 3.986 3.960 -0.004 0.000 0.211 741 G C 0.694 175.832 174.900 0.397 0.000 1.146 741 G CA 0.246 45.494 45.100 0.247 0.000 0.787 741 G HN 0.504 nan 8.290 nan 0.000 0.534 742 I N 0.238 121.041 120.570 0.388 0.000 5.158 742 I HA -0.335 3.832 4.170 -0.004 0.000 0.126 742 I C 1.614 177.888 176.117 0.262 0.000 1.344 742 I CA 0.171 61.639 61.300 0.279 0.000 2.637 742 I CB -1.094 37.031 38.000 0.208 0.000 2.338 742 I HN 0.264 nan 8.210 nan 0.000 0.320 743 A N 1.078 124.022 122.820 0.207 0.000 2.348 743 A HA 0.257 4.575 4.320 -0.004 0.000 0.224 743 A C 1.202 178.849 177.584 0.106 0.000 1.227 743 A CA 0.555 52.677 52.037 0.143 0.000 0.885 743 A CB 0.077 19.124 19.000 0.078 0.000 0.933 743 A HN 0.644 nan 8.150 nan 0.000 0.506 744 S N -0.437 115.339 115.700 0.125 0.000 2.573 744 S HA 0.161 4.629 4.470 -0.004 0.000 0.277 744 S C 1.266 175.927 174.600 0.102 0.000 1.346 744 S CA 0.365 58.628 58.200 0.105 0.000 1.034 744 S CB 1.084 64.353 63.200 0.116 0.000 0.879 744 S HN 0.528 nan 8.310 nan 0.000 0.528 745 S N 2.156 117.901 115.700 0.073 0.000 2.368 745 S HA -0.203 4.265 4.470 -0.004 0.000 0.226 745 S C 2.097 176.762 174.600 0.108 0.000 1.044 745 S CA 2.470 60.713 58.200 0.073 0.000 1.062 745 S CB -1.663 61.562 63.200 0.042 0.000 0.931 745 S HN 1.071 nan 8.310 nan 0.000 0.440 746 T N -0.188 114.420 114.554 0.090 0.000 2.777 746 T HA 0.156 4.504 4.350 -0.004 0.000 0.266 746 T C 2.007 176.772 174.700 0.107 0.000 1.040 746 T CA 1.389 63.544 62.100 0.093 0.000 1.141 746 T CB -1.019 67.894 68.868 0.075 0.000 0.868 746 T HN 0.489 nan 8.240 nan 0.000 0.444 747 A N 1.471 124.336 122.820 0.075 0.000 1.930 747 A HA -0.086 4.232 4.320 -0.004 0.000 0.217 747 A C 2.201 179.740 177.584 -0.076 0.000 1.175 747 A CA 2.035 54.049 52.037 -0.039 0.000 0.627 747 A CB -1.266 17.677 19.000 -0.095 0.000 0.815 747 A HN 0.786 nan 8.150 nan 0.000 0.443 748 H N -0.117 118.942 119.070 -0.018 0.000 2.319 748 H HA -0.158 4.396 4.556 -0.004 0.000 0.299 748 H C 2.096 177.495 175.328 0.118 0.000 1.092 748 H CA 2.399 58.492 56.048 0.074 0.000 1.302 748 H CB -0.204 29.608 29.762 0.084 0.000 1.373 748 H HN 0.583 nan 8.280 nan 0.000 0.497 749 Q N -1.019 118.791 119.800 0.018 0.000 2.079 749 Q HA -0.174 4.164 4.340 -0.004 0.000 0.200 749 Q C 2.238 178.225 176.000 -0.022 0.000 0.974 749 Q CA 1.251 57.028 55.803 -0.042 0.000 0.840 749 Q CB -0.188 28.568 28.738 0.030 0.000 0.898 749 Q HN 0.634 nan 8.270 nan 0.000 0.430 750 H N 0.865 119.910 119.070 -0.042 0.000 2.321 750 H HA -0.085 4.469 4.556 -0.004 0.000 0.300 750 H C 2.020 177.341 175.328 -0.010 0.000 1.087 750 H CA 1.387 57.443 56.048 0.013 0.000 1.319 750 H CB -0.030 29.792 29.762 0.100 0.000 1.379 750 H HN 0.279 nan 8.280 nan 0.000 0.501 751 I N 0.083 120.621 120.570 -0.053 0.000 2.315 751 I HA -0.300 3.868 4.170 -0.004 0.000 0.248 751 I C 1.639 177.520 176.117 -0.394 0.000 1.117 751 I CA 1.143 62.321 61.300 -0.204 0.000 1.404 751 I CB -0.243 37.427 38.000 -0.549 0.000 1.071 751 I HN 0.133 nan 8.210 nan 0.000 0.419 752 Y N 0.824 120.913 120.300 -0.352 0.000 2.395 752 Y HA -0.142 4.406 4.550 -0.004 0.000 0.293 752 Y C 2.669 178.362 175.900 -0.345 0.000 1.123 752 Y CA 1.557 59.336 58.100 -0.535 0.000 1.227 752 Y CB -0.623 37.518 38.460 -0.531 0.000 1.012 752 Y HN 0.122 nan 8.280 nan 0.000 0.552 753 T N -1.667 112.814 114.554 -0.122 0.000 2.737 753 T HA -0.212 4.136 4.350 -0.004 0.000 0.265 753 T C 1.569 176.177 174.700 -0.152 0.000 1.038 753 T CA 1.814 63.816 62.100 -0.164 0.000 1.144 753 T CB -0.420 68.349 68.868 -0.165 0.000 0.866 753 T HN 0.390 nan 8.240 nan 0.000 0.434 754 H N 0.824 119.800 119.070 -0.158 0.000 2.352 754 H HA 0.084 4.638 4.556 -0.004 0.000 0.299 754 H C 2.154 177.485 175.328 0.005 0.000 1.097 754 H CA 1.597 57.628 56.048 -0.029 0.000 1.311 754 H CB -0.215 29.518 29.762 -0.047 0.000 1.377 754 H HN 0.254 nan 8.280 nan 0.000 0.504 755 M N -0.889 118.668 119.600 -0.071 0.000 2.229 755 M HA -0.138 4.340 4.480 -0.004 0.000 0.264 755 M C 2.343 178.766 176.300 0.206 0.000 1.063 755 M CA 1.333 56.589 55.300 -0.073 0.000 1.114 755 M CB 0.089 32.389 32.600 -0.500 0.000 1.387 755 M HN 0.214 nan 8.290 nan 0.000 0.420 756 S N -0.594 115.243 115.700 0.228 0.000 2.368 756 S HA -0.140 4.328 4.470 -0.004 0.000 0.225 756 S C 1.681 176.372 174.600 0.151 0.000 1.030 756 S CA 0.947 59.362 58.200 0.359 0.000 0.999 756 S CB -0.575 62.820 63.200 0.325 0.000 0.844 756 S HN 0.470 nan 8.310 nan 0.000 0.459 757 H N 0.025 119.157 119.070 0.102 0.000 2.319 757 H HA -0.049 4.505 4.556 -0.004 0.000 0.299 757 H C 1.994 177.335 175.328 0.021 0.000 1.092 757 H CA 1.383 57.447 56.048 0.026 0.000 1.302 757 H CB -0.748 28.974 29.762 -0.067 0.000 1.373 757 H HN 0.447 nan 8.280 nan 0.000 0.497 758 F N 1.236 121.184 119.950 -0.004 0.000 2.134 758 F HA -0.184 4.341 4.527 -0.004 0.000 0.299 758 F C 2.294 178.061 175.800 -0.054 0.000 1.097 758 F CA 0.852 58.822 58.000 -0.049 0.000 1.264 758 F CB -0.247 38.706 39.000 -0.078 0.000 1.001 758 F HN -0.037 nan 8.300 nan 0.000 0.479 759 I N 0.673 121.274 120.570 0.052 0.000 2.202 759 I HA -0.258 3.910 4.170 -0.004 0.000 0.242 759 I C 2.230 178.182 176.117 -0.275 0.000 1.091 759 I CA 1.462 62.640 61.300 -0.203 0.000 1.368 759 I CB -1.295 36.671 38.000 -0.056 0.000 1.058 759 I HN 0.202 nan 8.210 nan 0.000 0.410 760 K N 0.168 120.541 120.400 -0.045 0.000 2.057 760 K HA -0.223 4.095 4.320 -0.004 0.000 0.207 760 K C 2.100 178.695 176.600 -0.008 0.000 1.049 760 K CA 1.111 57.419 56.287 0.034 0.000 0.931 760 K CB -0.248 32.314 32.500 0.103 0.000 0.714 760 K HN 0.308 nan 8.250 nan 0.000 0.440 761 Q N 1.283 121.039 119.800 -0.074 0.000 2.050 761 Q HA -0.215 4.122 4.340 -0.004 0.000 0.202 761 Q C 2.287 178.186 176.000 -0.168 0.000 0.980 761 Q CA 1.867 57.606 55.803 -0.107 0.000 0.840 761 Q CB -0.624 28.031 28.738 -0.138 0.000 0.898 761 Q HN 0.425 nan 8.270 nan 0.000 0.424 762 c N 0.182 118.569 118.600 -0.355 0.000 2.422 762 c HA -0.075 4.493 4.570 -0.004 0.000 0.279 762 c C 2.180 176.241 174.090 -0.050 0.000 1.305 762 c CA 0.386 56.513 56.329 -0.337 0.000 1.757 762 c CB -1.347 40.800 42.510 -0.604 0.000 1.962 762 c HN 0.518 nan 8.230 nan 0.000 0.499 763 F N 1.571 121.485 119.950 -0.060 0.000 2.765 763 F HA 0.268 4.793 4.527 -0.004 0.000 0.302 763 F C 1.566 177.355 175.800 -0.017 0.000 1.111 763 F CA 0.335 58.322 58.000 -0.021 0.000 1.359 763 F CB -1.156 37.840 39.000 -0.006 0.000 1.097 763 F HN 0.163 nan 8.300 nan 0.000 0.577 764 S N 1.251 117.034 115.700 0.138 0.000 3.697 764 S HA -0.181 4.287 4.470 -0.004 0.000 0.388 764 S C -0.256 174.396 174.600 0.086 0.000 0.941 764 S CA 0.111 58.360 58.200 0.081 0.000 1.247 764 S CB -1.839 61.399 63.200 0.064 0.000 0.904 764 S HN 0.224 nan 8.310 nan 0.000 0.518 765 L N 0.717 121.998 121.223 0.097 0.000 2.346 765 L HA 0.538 4.876 4.340 -0.004 0.000 0.276 765 L C -1.548 175.368 176.870 0.078 0.000 1.006 765 L CA -2.329 52.566 54.840 0.091 0.000 0.817 765 L CB 1.012 43.143 42.059 0.119 0.000 1.272 765 L HN 0.072 nan 8.230 nan 0.000 0.421 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.064 0.000 0.800 766 P CB 0.000 31.733 31.700 0.055 0.000 0.726