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 2qt9_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 0.000 174.740 174.700 0.067 0.000 1.109 39 T CA 0.000 62.133 62.100 0.054 0.000 1.349 39 T CB 0.000 68.900 68.868 0.053 0.000 0.612 40 R N 2.122 122.670 120.500 0.079 0.000 2.590 40 R HA 0.316 4.654 4.340 -0.004 0.000 0.274 40 R C 0.941 177.296 176.300 0.091 0.000 1.061 40 R CA -0.623 55.527 56.100 0.083 0.000 1.081 40 R CB 0.730 31.079 30.300 0.083 0.000 0.984 40 R HN 0.634 nan 8.270 nan 0.000 0.448 41 K N 0.571 121.028 120.400 0.096 0.000 2.149 41 K HA 0.140 4.458 4.320 -0.004 0.000 0.245 41 K C 0.057 176.726 176.600 0.116 0.000 1.024 41 K CA -0.484 55.867 56.287 0.106 0.000 0.899 41 K CB 0.524 33.094 32.500 0.117 0.000 1.038 41 K HN 0.633 nan 8.250 nan 0.000 0.496 42 T N -2.374 112.258 114.554 0.130 0.000 2.922 42 T HA 0.171 4.519 4.350 -0.004 0.000 0.281 42 T C -0.783 174.045 174.700 0.212 0.000 1.005 42 T CA -0.785 61.403 62.100 0.147 0.000 0.982 42 T CB 0.473 69.424 68.868 0.138 0.000 1.158 42 T HN 0.540 nan 8.240 nan 0.000 0.566 43 Y N 2.406 122.768 120.300 0.105 0.000 2.504 43 Y HA 0.402 4.950 4.550 -0.004 0.000 0.351 43 Y C 0.839 176.894 175.900 0.258 0.000 0.988 43 Y CA -0.433 57.765 58.100 0.163 0.000 1.239 43 Y CB -0.121 38.394 38.460 0.091 0.000 1.128 43 Y HN 0.995 nan 8.280 nan 0.000 0.525 44 T N 2.432 116.981 114.554 -0.007 0.000 2.881 44 T HA 0.150 4.497 4.350 -0.004 0.000 0.278 44 T C 0.970 175.542 174.700 -0.214 0.000 0.982 44 T CA -0.783 61.348 62.100 0.052 0.000 0.989 44 T CB 1.310 70.182 68.868 0.007 0.000 1.058 44 T HN 0.684 nan 8.240 nan 0.000 0.529 45 L N 1.225 122.120 121.223 -0.548 0.000 2.042 45 L HA -0.005 4.332 4.340 -0.004 0.000 0.210 45 L C 2.617 179.320 176.870 -0.279 0.000 1.076 45 L CA 2.166 56.567 54.840 -0.732 0.000 0.749 45 L CB -1.440 40.058 42.059 -0.935 0.000 0.893 45 L HN 0.966 nan 8.230 nan 0.000 0.432 46 T N -0.776 113.647 114.554 -0.218 0.000 2.788 46 T HA -0.154 4.194 4.350 -0.004 0.000 0.268 46 T C 1.494 176.098 174.700 -0.160 0.000 1.044 46 T CA 1.352 63.362 62.100 -0.150 0.000 1.139 46 T CB -0.380 68.425 68.868 -0.105 0.000 0.867 46 T HN 0.382 nan 8.240 nan 0.000 0.454 47 D N 0.191 120.460 120.400 -0.218 0.000 2.104 47 D HA -0.091 4.547 4.640 -0.004 0.000 0.194 47 D C 1.740 177.934 176.300 -0.177 0.000 0.994 47 D CA 1.037 54.878 54.000 -0.264 0.000 0.830 47 D CB -0.382 40.150 40.800 -0.446 0.000 0.959 47 D HN 0.414 nan 8.370 nan 0.000 0.452 48 Y N 1.484 121.588 120.300 -0.326 0.000 2.133 48 Y HA -0.094 4.454 4.550 -0.004 0.000 0.287 48 Y C 2.149 178.057 175.900 0.012 0.000 1.134 48 Y CA 1.258 59.350 58.100 -0.013 0.000 1.133 48 Y CB -0.616 37.907 38.460 0.105 0.000 0.987 48 Y HN -0.095 nan 8.280 nan 0.000 0.502 49 L N 0.029 121.072 121.223 -0.300 0.000 2.275 49 L HA -0.137 4.201 4.340 -0.004 0.000 0.215 49 L C 1.706 178.471 176.870 -0.176 0.000 1.119 49 L CA 1.110 55.752 54.840 -0.329 0.000 0.790 49 L CB -0.410 41.522 42.059 -0.212 0.000 0.919 49 L HN 0.085 nan 8.230 nan 0.000 0.443 50 K N -0.341 119.978 120.400 -0.135 0.000 2.358 50 K HA 0.086 4.403 4.320 -0.004 0.000 0.197 50 K C 0.171 176.724 176.600 -0.078 0.000 1.025 50 K CA -0.112 56.118 56.287 -0.095 0.000 1.104 50 K CB -0.197 32.248 32.500 -0.092 0.000 0.855 50 K HN 0.241 nan 8.250 nan 0.000 0.531 51 N N 1.951 120.615 118.700 -0.059 0.000 2.725 51 N HA -0.227 4.510 4.740 -0.004 0.000 0.251 51 N C 0.652 176.152 175.510 -0.016 0.000 1.031 51 N CA 0.475 53.532 53.050 0.012 0.000 0.720 51 N CB -0.342 38.146 38.487 0.001 0.000 0.930 51 N HN 0.381 nan 8.380 nan 0.000 0.543 52 T N -2.797 111.697 114.554 -0.100 0.000 2.867 52 T HA -0.163 4.185 4.350 -0.004 0.000 0.268 52 T C 0.608 175.115 174.700 -0.322 0.000 1.057 52 T CA 1.110 63.045 62.100 -0.274 0.000 1.136 52 T CB -0.161 68.420 68.868 -0.478 0.000 0.874 52 T HN 0.338 nan 8.240 nan 0.000 0.466 53 Y N 1.968 122.357 120.300 0.149 0.000 2.700 53 Y HA 0.604 5.152 4.550 -0.004 0.000 0.333 53 Y C 0.505 176.511 175.900 0.176 0.000 1.036 53 Y CA -1.574 56.638 58.100 0.186 0.000 1.287 53 Y CB 0.352 38.987 38.460 0.291 0.000 1.132 53 Y HN 0.007 nan 8.280 nan 0.000 0.510 54 R N 2.262 122.892 120.500 0.217 0.000 2.298 54 R HA 0.337 4.674 4.340 -0.004 0.000 0.310 54 R C -0.989 175.417 176.300 0.178 0.000 1.068 54 R CA -0.523 55.676 56.100 0.166 0.000 0.957 54 R CB 0.277 30.634 30.300 0.096 0.000 1.003 54 R HN 0.560 nan 8.270 nan 0.000 0.454 55 L N 4.384 125.717 121.223 0.182 0.000 2.319 55 L HA 0.237 4.575 4.340 -0.004 0.000 0.280 55 L C -0.203 176.750 176.870 0.139 0.000 1.099 55 L CA 0.554 55.503 54.840 0.182 0.000 0.828 55 L CB 0.693 42.880 42.059 0.213 0.000 1.150 55 L HN 0.541 nan 8.230 nan 0.000 0.442 56 K N 4.671 125.148 120.400 0.129 0.000 2.118 56 K HA 0.625 4.943 4.320 -0.004 0.000 0.267 56 K C -0.923 175.728 176.600 0.085 0.000 0.991 56 K CA -0.651 55.691 56.287 0.091 0.000 0.916 56 K CB 1.301 33.850 32.500 0.081 0.000 1.041 56 K HN 0.388 nan 8.250 nan 0.000 0.455 57 L N -0.326 120.871 121.223 -0.043 0.000 2.194 57 L HA 0.559 4.897 4.340 -0.004 0.000 0.248 57 L C -0.993 175.594 176.870 -0.472 0.000 1.071 57 L CA -1.024 53.620 54.840 -0.326 0.000 0.901 57 L CB 0.255 42.255 42.059 -0.097 0.000 1.497 57 L HN 0.489 nan 8.230 nan 0.000 0.442 58 Y N -0.123 119.593 120.300 -0.973 0.000 2.563 58 Y HA 0.590 5.138 4.550 -0.004 0.000 0.351 58 Y C -0.897 174.816 175.900 -0.311 0.000 1.087 58 Y CA -0.425 57.350 58.100 -0.541 0.000 1.272 58 Y CB 1.213 39.232 38.460 -0.736 0.000 1.095 58 Y HN 0.614 nan 8.280 nan 0.000 0.620 59 S N 6.074 121.702 115.700 -0.119 0.000 2.416 59 S HA 0.547 5.015 4.470 -0.004 0.000 0.287 59 S C -0.621 173.940 174.600 -0.065 0.000 1.139 59 S CA -0.539 57.624 58.200 -0.062 0.000 1.058 59 S CB -0.070 63.096 63.200 -0.057 0.000 0.967 59 S HN 0.555 nan 8.310 nan 0.000 0.495 60 L N 1.406 122.559 121.223 -0.118 0.000 2.303 60 L HA 0.788 5.126 4.340 -0.004 0.000 0.266 60 L C -0.332 176.431 176.870 -0.179 0.000 1.011 60 L CA -0.996 53.723 54.840 -0.202 0.000 0.818 60 L CB 0.911 42.553 42.059 -0.694 0.000 1.326 60 L HN 0.349 nan 8.230 nan 0.000 0.435 61 R N 0.799 121.237 120.500 -0.104 0.000 2.422 61 R HA 0.357 4.695 4.340 -0.004 0.000 0.307 61 R C -1.703 174.621 176.300 0.039 0.000 1.004 61 R CA -0.296 55.796 56.100 -0.014 0.000 0.882 61 R CB 1.033 31.355 30.300 0.037 0.000 1.164 61 R HN 0.664 nan 8.270 nan 0.000 0.489 62 W N 4.318 125.708 121.300 0.149 0.000 2.322 62 W HA 0.068 4.726 4.660 -0.003 0.000 0.328 62 W C 1.587 178.181 176.519 0.125 0.000 1.395 62 W CA -0.334 57.114 57.345 0.171 0.000 1.267 62 W CB 0.443 29.993 29.460 0.150 0.000 1.259 62 W HN 0.669 nan 8.180 nan 0.000 0.560 63 I N 0.432 121.221 120.570 0.365 0.000 4.070 63 I HA 0.278 4.445 4.170 -0.004 0.000 0.328 63 I C 0.719 176.960 176.117 0.207 0.000 1.298 63 I CA 0.028 61.455 61.300 0.212 0.000 1.173 63 I CB -0.023 38.040 38.000 0.105 0.000 1.051 63 I HN 0.256 nan 8.210 nan 0.000 0.409 64 S N -0.603 115.259 115.700 0.271 0.000 2.873 64 S HA 0.287 4.754 4.470 -0.004 0.000 0.303 64 S C -0.110 174.543 174.600 0.089 0.000 1.222 64 S CA -0.174 58.126 58.200 0.167 0.000 0.923 64 S CB 1.200 64.515 63.200 0.192 0.000 1.286 64 S HN 0.056 nan 8.310 nan 0.000 0.571 65 D N -0.409 119.892 120.400 -0.165 0.000 2.355 65 D HA 0.174 4.812 4.640 -0.004 0.000 0.218 65 D C 0.935 176.999 176.300 -0.393 0.000 1.004 65 D CA 0.917 54.681 54.000 -0.394 0.000 0.880 65 D CB -0.014 40.479 40.800 -0.512 0.000 0.911 65 D HN 0.621 nan 8.370 nan 0.000 0.528 66 H N -1.819 117.441 119.070 0.315 0.000 3.398 66 H HA 0.375 4.928 4.556 -0.004 0.000 0.260 66 H C -0.145 175.365 175.328 0.304 0.000 1.189 66 H CA -0.165 56.091 56.048 0.347 0.000 1.145 66 H CB 1.004 30.918 29.762 0.253 0.000 1.599 66 H HN 0.098 nan 8.280 nan 0.000 0.615 67 E N 1.271 121.754 120.200 0.472 0.000 2.317 67 E HA 0.391 4.739 4.350 -0.004 0.000 0.270 67 E C -1.451 175.359 176.600 0.349 0.000 0.885 67 E CA -1.070 55.509 56.400 0.298 0.000 0.760 67 E CB 3.198 33.012 29.700 0.190 0.000 1.227 67 E HN 0.173 nan 8.360 nan 0.000 0.434 68 Y N -0.732 119.598 120.300 0.050 0.000 2.581 68 Y HA 0.632 5.180 4.550 -0.004 0.000 0.345 68 Y C -1.511 174.372 175.900 -0.027 0.000 1.036 68 Y CA -1.340 56.674 58.100 -0.143 0.000 1.042 68 Y CB 0.864 38.898 38.460 -0.710 0.000 1.289 68 Y HN 0.338 nan 8.280 nan 0.000 0.471 69 L N 2.964 124.314 121.223 0.211 0.000 2.325 69 L HA 0.491 4.829 4.340 -0.004 0.000 0.279 69 L C -1.296 175.776 176.870 0.336 0.000 1.054 69 L CA -0.957 53.983 54.840 0.166 0.000 0.804 69 L CB 1.511 43.578 42.059 0.014 0.000 1.200 69 L HN 0.782 nan 8.230 nan 0.000 0.436 70 Y N 2.408 122.819 120.300 0.184 0.000 2.470 70 Y HA 0.330 4.877 4.550 -0.004 0.000 0.341 70 Y C -0.730 175.203 175.900 0.055 0.000 1.021 70 Y CA -1.230 56.903 58.100 0.056 0.000 1.025 70 Y CB 1.673 40.138 38.460 0.009 0.000 1.266 70 Y HN 0.411 nan 8.280 nan 0.000 0.448 71 K N 4.680 124.647 120.400 -0.721 0.000 2.248 71 K HA 0.340 4.657 4.320 -0.004 0.000 0.281 71 K C -1.132 175.080 176.600 -0.646 0.000 1.054 71 K CA -0.355 55.638 56.287 -0.491 0.000 0.903 71 K CB 0.739 33.046 32.500 -0.322 0.000 1.077 71 K HN 0.811 nan 8.250 nan 0.000 0.474 72 Q N 3.221 122.864 119.800 -0.262 0.000 2.271 72 Q HA 0.108 4.445 4.340 -0.004 0.000 0.268 72 Q C -1.213 174.755 176.000 -0.054 0.000 1.021 72 Q CA -0.263 55.473 55.803 -0.112 0.000 0.802 72 Q CB 1.309 30.108 28.738 0.101 0.000 1.282 72 Q HN 0.714 nan 8.270 nan 0.000 0.431 73 E N 2.767 122.940 120.200 -0.046 0.000 2.637 73 E HA -0.382 3.965 4.350 -0.004 0.000 0.265 73 E C -0.167 176.404 176.600 -0.048 0.000 1.073 73 E CA 0.883 57.263 56.400 -0.032 0.000 0.778 73 E CB -1.452 28.240 29.700 -0.014 0.000 1.362 73 E HN 1.046 nan 8.360 nan 0.000 0.413 74 N N -1.011 117.647 118.700 -0.070 0.000 2.929 74 N HA -0.222 4.516 4.740 -0.004 0.000 0.234 74 N C -0.367 175.098 175.510 -0.075 0.000 0.908 74 N CA 1.226 54.235 53.050 -0.070 0.000 0.993 74 N CB -0.552 37.906 38.487 -0.048 0.000 1.075 74 N HN 0.547 nan 8.380 nan 0.000 0.603 75 N N 1.320 119.978 118.700 -0.070 0.000 2.492 75 N HA 0.361 5.099 4.740 -0.004 0.000 0.289 75 N C -0.517 174.952 175.510 -0.069 0.000 1.133 75 N CA -0.262 52.747 53.050 -0.068 0.000 0.961 75 N CB 1.454 39.910 38.487 -0.053 0.000 1.186 75 N HN 0.112 nan 8.380 nan 0.000 0.493 76 I N 1.632 122.164 120.570 -0.063 0.000 2.337 76 I HA 0.112 4.280 4.170 -0.004 0.000 0.291 76 I C -0.383 175.776 176.117 0.071 0.000 1.046 76 I CA -0.574 60.704 61.300 -0.036 0.000 1.324 76 I CB 0.487 38.428 38.000 -0.099 0.000 1.409 76 I HN 0.226 nan 8.210 nan 0.000 0.494 77 L N 7.372 128.649 121.223 0.089 0.000 2.344 77 L HA 0.514 4.852 4.340 -0.004 0.000 0.272 77 L C -0.157 176.782 176.870 0.114 0.000 1.035 77 L CA -0.552 54.341 54.840 0.087 0.000 0.807 77 L CB 1.687 43.785 42.059 0.065 0.000 1.237 77 L HN 0.277 nan 8.230 nan 0.000 0.442 78 V N 2.852 122.768 119.914 0.003 0.000 2.409 78 V HA 0.542 4.660 4.120 -0.004 0.000 0.291 78 V C -0.892 175.089 176.094 -0.189 0.000 1.020 78 V CA -0.329 61.964 62.300 -0.012 0.000 0.848 78 V CB 1.024 32.890 31.823 0.071 0.000 0.990 78 V HN 0.496 nan 8.190 nan 0.000 0.430 79 F N 5.240 124.946 119.950 -0.406 0.000 2.425 79 F HA 0.494 5.018 4.527 -0.004 0.000 0.331 79 F C 0.646 176.181 175.800 -0.442 0.000 1.085 79 F CA -0.473 57.205 58.000 -0.536 0.000 1.028 79 F CB 1.506 39.863 39.000 -1.071 0.000 1.177 79 F HN 0.483 nan 8.300 nan 0.000 0.487 80 N N 1.899 120.556 118.700 -0.071 0.000 2.439 80 N HA 0.234 4.972 4.740 -0.004 0.000 0.249 80 N C 0.463 175.921 175.510 -0.087 0.000 1.003 80 N CA 0.059 53.088 53.050 -0.036 0.000 0.942 80 N CB 1.699 40.206 38.487 0.034 0.000 1.115 80 N HN 0.818 nan 8.380 nan 0.000 0.505 81 A N 3.994 126.725 122.820 -0.148 0.000 1.908 81 A HA -0.191 4.126 4.320 -0.004 0.000 0.218 81 A C 1.894 179.202 177.584 -0.460 0.000 1.181 81 A CA 1.514 53.370 52.037 -0.302 0.000 0.627 81 A CB -0.508 18.146 19.000 -0.578 0.000 0.818 81 A HN 0.870 nan 8.150 nan 0.000 0.445 82 E N -1.587 118.306 120.200 -0.512 0.000 2.058 82 E HA -0.215 4.133 4.350 -0.004 0.000 0.194 82 E C 1.483 177.795 176.600 -0.480 0.000 0.997 82 E CA 1.769 57.874 56.400 -0.492 0.000 0.801 82 E CB -0.163 29.131 29.700 -0.676 0.000 0.746 82 E HN 0.844 nan 8.360 nan 0.000 0.450 83 Y N -2.257 118.037 120.300 -0.009 0.000 2.462 83 Y HA 0.279 4.827 4.550 -0.004 0.000 0.253 83 Y C 1.513 177.415 175.900 0.004 0.000 1.095 83 Y CA -0.073 58.027 58.100 0.000 0.000 1.283 83 Y CB 1.493 39.953 38.460 0.001 0.000 1.138 83 Y HN 0.236 nan 8.280 nan 0.000 0.522 84 G N 1.212 110.085 108.800 0.122 0.000 2.176 84 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.253 84 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.253 84 G C 0.042 175.049 174.900 0.178 0.000 0.979 84 G CA 0.215 45.408 45.100 0.155 0.000 0.641 84 G HN 0.443 nan 8.290 nan 0.000 0.530 85 N N 0.630 119.390 118.700 0.101 0.000 2.381 85 N HA 0.637 5.375 4.740 -0.004 0.000 0.254 85 N C 0.218 175.621 175.510 -0.178 0.000 1.264 85 N CA 0.804 53.847 53.050 -0.013 0.000 0.942 85 N CB 1.510 40.002 38.487 0.007 0.000 1.190 85 N HN 1.065 nan 8.380 nan 0.000 0.495 86 S N -1.285 114.230 115.700 -0.309 0.000 2.790 86 S HA 0.753 5.220 4.470 -0.004 0.000 0.292 86 S C -1.138 173.286 174.600 -0.294 0.000 1.197 86 S CA -0.809 57.096 58.200 -0.491 0.000 0.851 86 S CB 1.227 63.696 63.200 -1.218 0.000 1.217 86 S HN 0.712 nan 8.310 nan 0.000 0.526 87 S N -0.558 114.982 115.700 -0.266 0.000 2.588 87 S HA 0.552 5.020 4.470 -0.004 0.000 0.269 87 S C -1.353 173.191 174.600 -0.093 0.000 1.157 87 S CA -0.744 57.372 58.200 -0.139 0.000 0.824 87 S CB 1.467 64.620 63.200 -0.077 0.000 1.126 87 S HN 0.840 nan 8.310 nan 0.000 0.464 88 V N 2.740 122.617 119.914 -0.061 0.000 2.439 88 V HA 0.195 4.313 4.120 -0.004 0.000 0.271 88 V C 0.474 176.578 176.094 0.017 0.000 1.040 88 V CA 0.242 62.525 62.300 -0.027 0.000 1.002 88 V CB 0.109 31.900 31.823 -0.053 0.000 1.000 88 V HN 0.914 nan 8.190 nan 0.000 0.477 89 F N 5.541 125.444 119.950 -0.078 0.000 2.262 89 F HA 0.316 4.841 4.527 -0.004 0.000 0.292 89 F C 0.600 176.359 175.800 -0.069 0.000 1.081 89 F CA 0.835 58.800 58.000 -0.058 0.000 1.355 89 F CB 0.546 39.525 39.000 -0.035 0.000 1.069 89 F HN 0.361 nan 8.300 nan 0.000 0.506 90 L N 1.322 122.585 121.223 0.067 0.000 2.555 90 L HA 0.318 4.656 4.340 -0.004 0.000 0.264 90 L C -0.917 175.902 176.870 -0.086 0.000 0.972 90 L CA -0.605 54.198 54.840 -0.061 0.000 0.876 90 L CB 0.864 42.940 42.059 0.028 0.000 1.216 90 L HN -0.132 nan 8.230 nan 0.000 0.415 91 E N 1.591 121.711 120.200 -0.134 0.000 2.452 91 E HA -0.042 4.306 4.350 -0.004 0.000 0.261 91 E C 1.069 177.591 176.600 -0.130 0.000 0.987 91 E CA 0.574 56.900 56.400 -0.123 0.000 0.926 91 E CB 0.705 30.323 29.700 -0.137 0.000 0.934 91 E HN 0.609 nan 8.360 nan 0.000 0.452 92 N N 1.137 119.781 118.700 -0.092 0.000 2.635 92 N HA -0.186 4.552 4.740 -0.004 0.000 0.191 92 N C 0.750 176.212 175.510 -0.079 0.000 1.155 92 N CA 1.245 54.251 53.050 -0.074 0.000 0.927 92 N CB 0.027 38.480 38.487 -0.056 0.000 0.976 92 N HN 0.250 nan 8.380 nan 0.000 0.448 93 S N -2.995 112.635 115.700 -0.116 0.000 2.524 93 S HA 0.095 4.563 4.470 -0.004 0.000 0.215 93 S C 1.438 175.914 174.600 -0.207 0.000 0.986 93 S CA -0.104 58.025 58.200 -0.120 0.000 0.911 93 S CB -0.559 62.580 63.200 -0.102 0.000 0.805 93 S HN 0.176 nan 8.310 nan 0.000 0.501 94 T N 2.057 116.402 114.554 -0.349 0.000 2.653 94 T HA -0.082 4.265 4.350 -0.004 0.000 0.268 94 T C 0.240 174.420 174.700 -0.868 0.000 1.035 94 T CA 1.603 63.278 62.100 -0.709 0.000 1.154 94 T CB -0.509 67.697 68.868 -1.104 0.000 0.862 94 T HN 0.595 nan 8.240 nan 0.000 0.441 95 F N 0.893 120.749 119.950 -0.156 0.000 2.923 95 F HA 0.358 4.883 4.527 -0.004 0.000 0.314 95 F C 0.976 176.771 175.800 -0.009 0.000 1.196 95 F CA -1.056 56.891 58.000 -0.089 0.000 1.320 95 F CB 0.110 38.986 39.000 -0.207 0.000 0.953 95 F HN -0.040 nan 8.300 nan 0.000 0.505 96 D N 0.660 121.092 120.400 0.053 0.000 2.371 96 D HA -0.074 4.563 4.640 -0.004 0.000 0.221 96 D C 0.972 177.304 176.300 0.053 0.000 0.986 96 D CA 1.057 55.084 54.000 0.044 0.000 0.899 96 D CB 0.167 40.963 40.800 -0.007 0.000 0.902 96 D HN 0.487 nan 8.370 nan 0.000 0.530 97 E N -1.163 119.084 120.200 0.079 0.000 2.758 97 E HA 0.058 4.406 4.350 -0.004 0.000 0.215 97 E C 0.775 177.422 176.600 0.078 0.000 0.985 97 E CA -0.355 56.073 56.400 0.046 0.000 1.102 97 E CB 0.229 29.937 29.700 0.013 0.000 1.042 97 E HN -0.002 nan 8.360 nan 0.000 0.480 98 F N 1.400 121.364 119.950 0.023 0.000 2.202 98 F HA -0.110 4.414 4.527 -0.004 0.000 0.301 98 F C 1.764 177.517 175.800 -0.078 0.000 1.082 98 F CA 2.290 60.303 58.000 0.022 0.000 1.313 98 F CB -0.000 39.021 39.000 0.035 0.000 1.024 98 F HN 0.191 nan 8.300 nan 0.000 0.495 99 G N -1.508 107.171 108.800 -0.201 0.000 2.195 99 G HA2 -0.194 3.763 3.960 -0.004 0.000 0.224 99 G HA3 -0.194 3.763 3.960 -0.004 0.000 0.224 99 G C 0.149 174.644 174.900 -0.675 0.000 0.990 99 G CA 0.157 44.984 45.100 -0.454 0.000 0.639 99 G HN 0.578 nan 8.290 nan 0.000 0.514 100 H N -0.607 118.415 119.070 -0.080 0.000 3.008 100 H HA 0.612 5.166 4.556 -0.003 0.000 0.354 100 H C -0.835 174.579 175.328 0.143 0.000 1.252 100 H CA 0.039 56.104 56.048 0.028 0.000 1.117 100 H CB 1.471 31.193 29.762 -0.066 0.000 1.857 100 H HN 0.160 nan 8.280 nan 0.000 0.547 101 S N 1.683 117.531 115.700 0.247 0.000 2.411 101 S HA 0.292 4.760 4.470 -0.004 0.000 0.294 101 S C 0.221 174.900 174.600 0.132 0.000 1.115 101 S CA -0.714 57.574 58.200 0.147 0.000 1.071 101 S CB -0.701 62.560 63.200 0.101 0.000 0.967 101 S HN 0.346 nan 8.310 nan 0.000 0.488 102 I N 5.589 126.181 120.570 0.037 0.000 2.581 102 I HA 0.028 4.196 4.170 -0.004 0.000 0.285 102 I C 1.587 177.696 176.117 -0.013 0.000 1.129 102 I CA -0.189 61.087 61.300 -0.041 0.000 1.397 102 I CB 0.357 38.212 38.000 -0.242 0.000 1.399 102 I HN 0.718 nan 8.210 nan 0.000 0.537 103 N N 4.097 122.795 118.700 -0.003 0.000 2.216 103 N HA -0.097 4.640 4.740 -0.004 0.000 0.183 103 N C 0.048 175.501 175.510 -0.094 0.000 1.017 103 N CA 1.241 54.244 53.050 -0.078 0.000 0.861 103 N CB 0.348 38.756 38.487 -0.131 0.000 0.986 103 N HN 0.691 nan 8.380 nan 0.000 0.428 104 D N -2.896 117.479 120.400 -0.042 0.000 2.710 104 D HA 0.169 4.806 4.640 -0.004 0.000 0.276 104 D C -1.653 174.700 176.300 0.088 0.000 1.267 104 D CA -0.540 53.457 54.000 -0.005 0.000 0.772 104 D CB 0.666 41.414 40.800 -0.087 0.000 1.299 104 D HN 0.074 nan 8.370 nan 0.000 0.421 105 Y N -1.097 119.203 120.300 -0.001 0.000 2.669 105 Y HA 0.808 5.356 4.550 -0.003 0.000 0.335 105 Y C -1.040 174.933 175.900 0.122 0.000 1.116 105 Y CA -1.036 57.088 58.100 0.040 0.000 1.081 105 Y CB 1.713 40.182 38.460 0.014 0.000 1.297 105 Y HN 0.182 nan 8.280 nan 0.000 0.484 106 S N 1.404 117.283 115.700 0.298 0.000 2.616 106 S HA 0.560 5.028 4.470 -0.004 0.000 0.276 106 S C -1.877 173.007 174.600 0.473 0.000 1.159 106 S CA -0.470 57.900 58.200 0.283 0.000 1.000 106 S CB 0.212 63.600 63.200 0.313 0.000 1.117 106 S HN 0.637 nan 8.310 nan 0.000 0.464 107 I N 4.438 125.185 120.570 0.294 0.000 2.428 107 I HA 0.332 4.500 4.170 -0.004 0.000 0.289 107 I C 1.003 176.951 176.117 -0.281 0.000 1.019 107 I CA 0.083 61.464 61.300 0.134 0.000 1.351 107 I CB 1.703 39.798 38.000 0.160 0.000 1.412 107 I HN 0.735 nan 8.210 nan 0.000 0.513 108 S N 5.855 121.073 115.700 -0.802 0.000 2.576 108 S HA 0.176 4.644 4.470 -0.004 0.000 0.272 108 S C -1.822 172.490 174.600 -0.479 0.000 1.352 108 S CA -0.774 56.600 58.200 -1.378 0.000 1.021 108 S CB 0.312 62.622 63.200 -1.483 0.000 0.887 108 S HN 0.452 nan 8.310 nan 0.000 0.542 109 P HA -0.135 nan 4.420 nan 0.000 0.216 109 P C 0.653 177.916 177.300 -0.060 0.000 1.150 109 P CA 1.592 64.623 63.100 -0.114 0.000 0.843 109 P CB -0.157 31.492 31.700 -0.085 0.000 0.787 110 D N -2.209 118.154 120.400 -0.062 0.000 2.319 110 D HA 0.110 4.747 4.640 -0.004 0.000 0.230 110 D C 1.319 177.628 176.300 0.015 0.000 1.094 110 D CA 0.323 54.325 54.000 0.004 0.000 0.856 110 D CB -1.227 39.601 40.800 0.047 0.000 0.915 110 D HN 0.161 nan 8.370 nan 0.000 0.517 111 G N 0.515 109.313 108.800 -0.004 0.000 2.180 111 G HA2 -0.429 3.528 3.960 -0.004 0.000 0.263 111 G HA3 -0.429 3.528 3.960 -0.004 0.000 0.263 111 G C 0.919 175.811 174.900 -0.014 0.000 0.989 111 G CA 0.749 45.883 45.100 0.055 0.000 0.692 111 G HN 0.479 nan 8.290 nan 0.000 0.526 112 Q N -1.776 117.964 119.800 -0.101 0.000 2.354 112 Q HA 0.397 4.735 4.340 -0.004 0.000 0.203 112 Q C 0.254 175.806 176.000 -0.747 0.000 0.933 112 Q CA 0.548 56.120 55.803 -0.385 0.000 0.901 112 Q CB 0.345 28.842 28.738 -0.402 0.000 1.007 112 Q HN 0.581 nan 8.270 nan 0.000 0.495 113 F N -0.767 119.116 119.950 -0.111 0.000 2.629 113 F HA 0.510 5.034 4.527 -0.004 0.000 0.316 113 F C -0.688 175.174 175.800 0.102 0.000 1.081 113 F CA -1.218 56.779 58.000 -0.005 0.000 0.954 113 F CB 1.698 40.715 39.000 0.028 0.000 1.337 113 F HN -0.229 nan 8.300 nan 0.000 0.474 114 I N 2.578 123.459 120.570 0.519 0.000 2.533 114 I HA 0.519 4.687 4.170 -0.004 0.000 0.290 114 I C -1.882 174.578 176.117 0.573 0.000 1.056 114 I CA -1.042 60.568 61.300 0.518 0.000 1.057 114 I CB 1.622 39.900 38.000 0.463 0.000 1.240 114 I HN 0.547 nan 8.210 nan 0.000 0.423 115 L N 8.280 129.874 121.223 0.618 0.000 2.265 115 L HA 0.498 4.836 4.340 -0.004 0.000 0.288 115 L C -1.252 175.777 176.870 0.266 0.000 1.058 115 L CA -0.028 55.064 54.840 0.420 0.000 0.809 115 L CB 0.949 43.205 42.059 0.328 0.000 1.179 115 L HN 0.509 nan 8.230 nan 0.000 0.429 116 L N 5.167 126.478 121.223 0.145 0.000 2.282 116 L HA 0.511 4.848 4.340 -0.004 0.000 0.288 116 L C -0.078 176.841 176.870 0.080 0.000 1.033 116 L CA -0.402 54.421 54.840 -0.029 0.000 0.807 116 L CB 1.496 43.311 42.059 -0.407 0.000 1.209 116 L HN 0.620 nan 8.230 nan 0.000 0.423 117 E N 3.896 124.109 120.200 0.022 0.000 2.158 117 E HA 0.472 4.820 4.350 -0.004 0.000 0.271 117 E C -1.700 174.888 176.600 -0.020 0.000 0.911 117 E CA -0.533 55.780 56.400 -0.146 0.000 0.767 117 E CB 1.366 31.007 29.700 -0.099 0.000 1.120 117 E HN 0.453 nan 8.360 nan 0.000 0.405 118 Y N 1.608 121.741 120.300 -0.278 0.000 2.689 118 Y HA 0.461 5.009 4.550 -0.003 0.000 0.333 118 Y C -0.102 175.710 175.900 -0.147 0.000 1.190 118 Y CA -1.576 56.442 58.100 -0.137 0.000 1.063 118 Y CB 0.528 38.975 38.460 -0.022 0.000 1.294 118 Y HN 0.538 nan 8.280 nan 0.000 0.466 119 N N -0.491 118.212 118.700 0.005 0.000 2.747 119 N HA -0.288 4.450 4.740 -0.004 0.000 0.249 119 N C -0.947 174.522 175.510 -0.069 0.000 1.107 119 N CA 0.949 53.952 53.050 -0.078 0.000 0.707 119 N CB -1.602 36.721 38.487 -0.273 0.000 1.054 119 N HN 0.878 nan 8.380 nan 0.000 0.555 120 Y N 0.522 120.738 120.300 -0.139 0.000 2.729 120 Y HA 0.224 4.771 4.550 -0.004 0.000 0.331 120 Y C 0.011 175.861 175.900 -0.083 0.000 1.208 120 Y CA 0.146 58.157 58.100 -0.150 0.000 1.521 120 Y CB 0.581 38.908 38.460 -0.222 0.000 1.233 120 Y HN -0.010 nan 8.280 nan 0.000 0.539 121 V N 8.202 127.727 119.914 -0.648 0.000 2.357 121 V HA 0.186 4.304 4.120 -0.004 0.000 0.281 121 V C -0.154 175.521 176.094 -0.699 0.000 1.015 121 V CA -1.418 60.556 62.300 -0.544 0.000 0.827 121 V CB 1.060 32.731 31.823 -0.253 0.000 1.018 121 V HN 0.756 nan 8.190 nan 0.000 0.432 122 K N 3.643 123.567 120.400 -0.792 0.000 2.485 122 K HA 0.129 4.447 4.320 -0.004 0.000 0.277 122 K C 0.471 176.899 176.600 -0.288 0.000 0.990 122 K CA 0.408 56.440 56.287 -0.427 0.000 0.994 122 K CB 1.105 33.550 32.500 -0.093 0.000 0.906 122 K HN 0.821 nan 8.250 nan 0.000 0.488 123 Q N 2.973 122.602 119.800 -0.285 0.000 2.362 123 Q HA 0.177 4.515 4.340 -0.004 0.000 0.190 123 Q C -0.013 175.751 176.000 -0.394 0.000 0.763 123 Q CA -0.443 55.002 55.803 -0.597 0.000 0.681 123 Q CB 0.115 28.332 28.738 -0.868 0.000 2.020 123 Q HN 0.743 nan 8.270 nan 0.000 0.483 124 W N 0.243 121.543 121.300 0.001 0.000 1.756 124 W HA 0.409 5.067 4.660 -0.003 0.000 0.638 124 W C 1.918 178.430 176.519 -0.012 0.000 1.472 124 W CA -0.674 56.700 57.345 0.047 0.000 1.437 124 W CB -0.192 29.269 29.460 0.003 0.000 3.368 124 W HN 0.254 nan 8.180 nan 0.000 0.771 125 R N -0.625 119.971 120.500 0.160 0.000 2.092 125 R HA -0.124 4.214 4.340 -0.004 0.000 0.231 125 R C 1.768 177.905 176.300 -0.271 0.000 1.119 125 R CA 1.673 57.689 56.100 -0.140 0.000 0.970 125 R CB -0.339 29.726 30.300 -0.390 0.000 0.864 125 R HN 0.490 nan 8.270 nan 0.000 0.440 126 H N -1.280 117.868 119.070 0.130 0.000 2.695 126 H HA 0.158 4.711 4.556 -0.004 0.000 0.267 126 H C 0.730 176.130 175.328 0.120 0.000 0.973 126 H CA 0.482 56.621 56.048 0.151 0.000 1.223 126 H CB 0.170 29.995 29.762 0.105 0.000 1.442 126 H HN 0.135 nan 8.280 nan 0.000 0.478 127 S N 1.324 117.000 115.700 -0.040 0.000 2.593 127 S HA 0.356 4.824 4.470 -0.004 0.000 0.269 127 S C -0.293 174.173 174.600 -0.222 0.000 1.334 127 S CA -0.428 57.438 58.200 -0.556 0.000 1.015 127 S CB 0.720 63.068 63.200 -1.420 0.000 0.912 127 S HN 0.455 nan 8.310 nan 0.000 0.541 128 Y N -2.577 117.575 120.300 -0.247 0.000 2.732 128 Y HA 0.616 5.164 4.550 -0.004 0.000 0.342 128 Y C -0.899 174.965 175.900 -0.060 0.000 1.203 128 Y CA -0.926 57.044 58.100 -0.218 0.000 1.092 128 Y CB 0.367 38.708 38.460 -0.198 0.000 1.345 128 Y HN 0.897 nan 8.280 nan 0.000 0.458 129 T N 0.057 114.675 114.554 0.106 0.000 2.932 129 T HA 1.031 5.378 4.350 -0.004 0.000 0.289 129 T C -0.432 174.355 174.700 0.145 0.000 1.039 129 T CA -0.171 62.007 62.100 0.129 0.000 1.024 129 T CB 1.796 70.677 68.868 0.021 0.000 1.090 129 T HN 1.920 nan 8.240 nan 0.000 0.496 130 A N 0.934 123.816 122.820 0.104 0.000 2.566 130 A HA 0.732 5.050 4.320 -0.004 0.000 0.290 130 A C -0.537 176.812 177.584 -0.391 0.000 1.071 130 A CA -0.991 50.941 52.037 -0.174 0.000 0.658 130 A CB 0.924 19.797 19.000 -0.212 0.000 1.285 130 A HN 0.830 nan 8.150 nan 0.000 0.427 131 S N -0.545 114.699 115.700 -0.760 0.000 2.654 131 S HA 0.809 5.277 4.470 -0.004 0.000 0.283 131 S C -1.361 172.582 174.600 -1.095 0.000 1.180 131 S CA -0.010 57.666 58.200 -0.874 0.000 1.021 131 S CB 0.522 62.922 63.200 -1.333 0.000 1.018 131 S HN 0.460 nan 8.310 nan 0.000 0.532 132 Y N -0.066 120.029 120.300 -0.341 0.000 2.534 132 Y HA 0.518 5.066 4.550 -0.004 0.000 0.345 132 Y C -0.227 175.742 175.900 0.116 0.000 1.031 132 Y CA -0.947 57.108 58.100 -0.076 0.000 1.022 132 Y CB 1.802 40.157 38.460 -0.174 0.000 1.292 132 Y HN 0.504 nan 8.280 nan 0.000 0.459 133 D N 1.668 122.284 120.400 0.360 0.000 2.581 133 D HA 0.563 5.200 4.640 -0.004 0.000 0.232 133 D C -1.133 175.297 176.300 0.217 0.000 1.143 133 D CA -0.370 53.807 54.000 0.296 0.000 0.881 133 D CB 2.969 44.031 40.800 0.438 0.000 1.500 133 D HN 0.404 nan 8.370 nan 0.000 0.458 134 I N 1.615 122.312 120.570 0.212 0.000 2.433 134 I HA 0.238 4.406 4.170 -0.004 0.000 0.292 134 I C -1.040 175.297 176.117 0.365 0.000 1.001 134 I CA -0.918 60.546 61.300 0.273 0.000 1.119 134 I CB 1.674 39.788 38.000 0.190 0.000 1.289 134 I HN 0.232 nan 8.210 nan 0.000 0.438 135 Y N 5.629 126.102 120.300 0.288 0.000 2.331 135 Y HA 0.284 4.831 4.550 -0.004 0.000 0.338 135 Y C -0.137 175.944 175.900 0.302 0.000 0.992 135 Y CA -0.718 57.552 58.100 0.284 0.000 1.121 135 Y CB 1.086 39.733 38.460 0.312 0.000 1.184 135 Y HN 0.466 nan 8.280 nan 0.000 0.469 136 D N 6.617 126.881 120.400 -0.227 0.000 2.352 136 D HA 0.072 4.710 4.640 -0.004 0.000 0.245 136 D C 0.849 176.788 176.300 -0.601 0.000 1.224 136 D CA 0.329 54.153 54.000 -0.294 0.000 0.879 136 D CB 0.838 41.533 40.800 -0.175 0.000 1.057 136 D HN 0.888 nan 8.370 nan 0.000 0.491 137 L N 3.667 124.646 121.223 -0.406 0.000 2.083 137 L HA -0.194 4.143 4.340 -0.004 0.000 0.209 137 L C 2.017 178.716 176.870 -0.286 0.000 1.083 137 L CA 0.625 55.317 54.840 -0.247 0.000 0.752 137 L CB -0.284 41.682 42.059 -0.155 0.000 0.899 137 L HN 0.377 nan 8.230 nan 0.000 0.433 138 N N 1.203 119.697 118.700 -0.344 0.000 2.025 138 N HA -0.187 4.551 4.740 -0.004 0.000 0.194 138 N C 1.479 176.859 175.510 -0.217 0.000 1.069 138 N CA 1.576 54.472 53.050 -0.256 0.000 0.855 138 N CB -0.452 37.881 38.487 -0.257 0.000 1.054 138 N HN 0.378 nan 8.380 nan 0.000 0.427 139 K N 1.640 121.906 120.400 -0.222 0.000 2.643 139 K HA 0.089 4.406 4.320 -0.004 0.000 0.193 139 K C -0.408 176.071 176.600 -0.203 0.000 1.027 139 K CA 0.090 56.274 56.287 -0.171 0.000 1.033 139 K CB -0.195 32.225 32.500 -0.132 0.000 0.827 139 K HN 0.094 nan 8.250 nan 0.000 0.500 140 R N 1.459 121.785 120.500 -0.291 0.000 3.109 140 R HA -0.213 4.124 4.340 -0.004 0.000 0.241 140 R C -0.877 175.227 176.300 -0.326 0.000 0.882 140 R CA 0.892 56.800 56.100 -0.320 0.000 0.604 140 R CB -1.702 28.570 30.300 -0.047 0.000 1.040 140 R HN 0.625 nan 8.270 nan 0.000 0.480 141 Q N -0.188 119.282 119.800 -0.551 0.000 2.495 141 Q HA 0.522 4.860 4.340 -0.004 0.000 0.287 141 Q C -1.000 174.878 176.000 -0.203 0.000 1.078 141 Q CA -1.275 54.403 55.803 -0.209 0.000 0.793 141 Q CB 1.907 30.593 28.738 -0.087 0.000 1.459 141 Q HN 0.081 nan 8.270 nan 0.000 0.422 142 L N 1.368 122.687 121.223 0.161 0.000 2.334 142 L HA 0.444 4.781 4.340 -0.004 0.000 0.277 142 L C -0.914 176.057 176.870 0.170 0.000 1.075 142 L CA -0.126 54.895 54.840 0.301 0.000 0.804 142 L CB 1.126 43.433 42.059 0.414 0.000 1.174 142 L HN 0.524 nan 8.230 nan 0.000 0.438 143 I N 3.192 123.866 120.570 0.172 0.000 2.416 143 I HA 0.145 4.313 4.170 -0.004 0.000 0.288 143 I C 0.850 177.025 176.117 0.095 0.000 1.051 143 I CA 0.056 61.423 61.300 0.111 0.000 1.375 143 I CB 1.094 39.152 38.000 0.097 0.000 1.407 143 I HN 0.780 nan 8.210 nan 0.000 0.516 144 T N 0.988 115.580 114.554 0.062 0.000 3.054 144 T HA 0.166 4.514 4.350 -0.004 0.000 0.255 144 T C 0.366 175.073 174.700 0.013 0.000 1.035 144 T CA -0.382 61.744 62.100 0.044 0.000 0.941 144 T CB -0.054 68.838 68.868 0.040 0.000 1.026 144 T HN 0.660 nan 8.240 nan 0.000 0.533 145 E N 1.088 121.290 120.200 0.003 0.000 2.221 145 E HA 0.375 4.722 4.350 -0.004 0.000 0.268 145 E C -0.824 175.750 176.600 -0.042 0.000 0.933 145 E CA -0.951 55.437 56.400 -0.020 0.000 0.809 145 E CB 0.994 30.685 29.700 -0.015 0.000 1.190 145 E HN -0.047 nan 8.360 nan 0.000 0.406 146 E N 0.778 120.939 120.200 -0.066 0.000 2.269 146 E HA -0.219 4.129 4.350 -0.004 0.000 0.223 146 E C -0.685 175.841 176.600 -0.123 0.000 1.244 146 E CA 0.740 57.082 56.400 -0.096 0.000 0.713 146 E CB -1.314 28.337 29.700 -0.081 0.000 1.178 146 E HN 0.519 nan 8.360 nan 0.000 0.370 147 R N -0.196 120.227 120.500 -0.127 0.000 2.641 147 R HA 0.355 4.693 4.340 -0.004 0.000 0.269 147 R C 1.106 177.245 176.300 -0.268 0.000 1.074 147 R CA -0.537 55.477 56.100 -0.144 0.000 1.133 147 R CB 0.553 30.803 30.300 -0.083 0.000 1.029 147 R HN 0.125 nan 8.270 nan 0.000 0.488 148 I N 4.266 124.641 120.570 -0.326 0.000 2.683 148 I HA -0.012 4.156 4.170 -0.004 0.000 0.286 148 I C -1.748 174.090 176.117 -0.465 0.000 1.175 148 I CA -1.410 59.542 61.300 -0.580 0.000 1.429 148 I CB 0.318 37.975 38.000 -0.571 0.000 1.371 148 I HN 0.293 nan 8.210 nan 0.000 0.569 149 P HA -0.001 nan 4.420 nan 0.000 0.267 149 P C -0.732 176.388 177.300 -0.301 0.000 1.200 149 P CA -0.104 62.625 63.100 -0.617 0.000 0.772 149 P CB 0.326 31.216 31.700 -1.350 0.000 0.855 150 N N 2.778 121.380 118.700 -0.162 0.000 2.482 150 N HA 0.031 4.768 4.740 -0.004 0.000 0.260 150 N C 0.375 175.976 175.510 0.151 0.000 1.236 150 N CA 0.283 53.311 53.050 -0.036 0.000 0.938 150 N CB -0.302 38.168 38.487 -0.027 0.000 1.128 150 N HN 0.408 nan 8.380 nan 0.000 0.448 151 N N -0.937 117.835 118.700 0.120 0.000 2.780 151 N HA -0.152 4.586 4.740 -0.004 0.000 0.248 151 N C -0.856 174.840 175.510 0.311 0.000 1.102 151 N CA 0.657 53.814 53.050 0.178 0.000 0.697 151 N CB -1.782 36.812 38.487 0.178 0.000 1.028 151 N HN 0.462 nan 8.380 nan 0.000 0.554 152 T N 0.767 115.507 114.554 0.311 0.000 2.884 152 T HA 0.146 4.494 4.350 -0.004 0.000 0.298 152 T C 1.710 176.586 174.700 0.293 0.000 0.998 152 T CA 0.020 62.322 62.100 0.337 0.000 1.124 152 T CB 1.209 70.156 68.868 0.131 0.000 0.931 152 T HN 0.159 nan 8.240 nan 0.000 0.531 153 Q N 1.821 121.781 119.800 0.267 0.000 2.302 153 Q HA 0.152 4.489 4.340 -0.004 0.000 0.202 153 Q C 0.135 176.350 176.000 0.359 0.000 0.936 153 Q CA 0.397 56.381 55.803 0.301 0.000 0.886 153 Q CB 0.768 29.660 28.738 0.256 0.000 0.986 153 Q HN 0.692 nan 8.270 nan 0.000 0.487 154 W N -0.351 120.934 121.300 -0.025 0.000 3.645 154 W HA 0.434 5.092 4.660 -0.003 0.000 0.285 154 W C -2.405 174.010 176.519 -0.174 0.000 1.266 154 W CA -0.568 56.702 57.345 -0.124 0.000 1.212 154 W CB 1.075 30.400 29.460 -0.226 0.000 1.306 154 W HN -0.366 nan 8.180 nan 0.000 0.552 155 V N 3.361 122.504 119.914 -1.286 0.000 2.888 155 V HA 0.663 4.781 4.120 -0.004 0.000 0.309 155 V C -0.538 174.922 176.094 -1.057 0.000 1.114 155 V CA -0.561 61.158 62.300 -0.968 0.000 0.940 155 V CB 1.942 33.128 31.823 -1.062 0.000 1.021 155 V HN 0.495 nan 8.190 nan 0.000 0.426 156 T N 2.966 117.229 114.554 -0.485 0.000 3.041 156 T HA 0.518 4.866 4.350 -0.004 0.000 0.321 156 T C -1.371 173.370 174.700 0.068 0.000 1.184 156 T CA -0.292 61.716 62.100 -0.153 0.000 1.050 156 T CB 0.771 69.784 68.868 0.242 0.000 1.159 156 T HN 0.502 nan 8.240 nan 0.000 0.469 157 W N 3.175 124.520 121.300 0.074 0.000 2.126 157 W HA 0.439 5.096 4.660 -0.004 0.000 0.346 157 W C 1.254 177.645 176.519 -0.212 0.000 1.279 157 W CA -0.563 56.778 57.345 -0.006 0.000 1.259 157 W CB 0.607 30.059 29.460 -0.013 0.000 1.133 157 W HN 0.787 nan 8.180 nan 0.000 0.592 158 S N 1.916 117.402 115.700 -0.356 0.000 2.600 158 S HA 0.112 4.580 4.470 -0.004 0.000 0.265 158 S C -1.442 172.875 174.600 -0.472 0.000 1.325 158 S CA -1.007 56.416 58.200 -1.294 0.000 1.002 158 S CB 0.805 63.175 63.200 -1.383 0.000 0.921 158 S HN 0.405 nan 8.310 nan 0.000 0.554 159 P HA 0.038 nan 4.420 nan 0.000 0.222 159 P C -0.025 177.214 177.300 -0.101 0.000 1.147 159 P CA 0.722 63.760 63.100 -0.103 0.000 0.790 159 P CB -0.003 31.682 31.700 -0.025 0.000 0.780 160 V N -1.697 118.110 119.914 -0.178 0.000 3.007 160 V HA 0.634 4.752 4.120 -0.004 0.000 0.311 160 V C 0.826 176.804 176.094 -0.193 0.000 1.120 160 V CA 0.028 62.244 62.300 -0.139 0.000 0.980 160 V CB 1.069 32.824 31.823 -0.114 0.000 1.033 160 V HN 0.430 nan 8.190 nan 0.000 0.429 161 G N 2.228 110.931 108.800 -0.160 0.000 2.531 161 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.274 161 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.274 161 G C 0.127 174.913 174.900 -0.189 0.000 1.159 161 G CA 0.657 45.613 45.100 -0.239 0.000 0.969 161 G HN 1.942 nan 8.290 nan 0.000 0.554 162 H N -0.679 118.383 119.070 -0.013 0.000 3.233 162 H HA 0.394 4.947 4.556 -0.004 0.000 0.232 162 H C 0.250 175.732 175.328 0.257 0.000 1.322 162 H CA -0.135 55.965 56.048 0.087 0.000 1.043 162 H CB -0.332 29.481 29.762 0.086 0.000 2.572 162 H HN 0.528 nan 8.280 nan 0.000 0.597 163 K N 1.564 122.015 120.400 0.085 0.000 2.219 163 K HA 0.491 4.809 4.320 -0.004 0.000 0.258 163 K C -0.393 176.336 176.600 0.215 0.000 1.008 163 K CA -0.334 56.009 56.287 0.092 0.000 0.928 163 K CB 1.503 33.909 32.500 -0.157 0.000 0.983 163 K HN 0.139 nan 8.250 nan 0.000 0.484 164 L N 0.939 122.308 121.223 0.243 0.000 2.408 164 L HA 0.536 4.874 4.340 -0.004 0.000 0.268 164 L C -1.065 176.009 176.870 0.340 0.000 0.986 164 L CA -0.801 54.133 54.840 0.156 0.000 0.820 164 L CB 2.160 44.145 42.059 -0.123 0.000 1.303 164 L HN 0.706 nan 8.230 nan 0.000 0.411 165 A N 2.751 125.772 122.820 0.335 0.000 2.371 165 A HA 0.854 5.172 4.320 -0.004 0.000 0.311 165 A C -1.587 176.046 177.584 0.082 0.000 1.068 165 A CA -0.376 51.749 52.037 0.147 0.000 0.744 165 A CB 1.204 20.175 19.000 -0.047 0.000 1.239 165 A HN 0.649 nan 8.150 nan 0.000 0.435 166 Y N -0.677 119.578 120.300 -0.075 0.000 2.615 166 Y HA 0.770 5.318 4.550 -0.004 0.000 0.341 166 Y C -1.185 174.725 175.900 0.016 0.000 1.089 166 Y CA -1.614 56.423 58.100 -0.105 0.000 1.049 166 Y CB 1.088 39.418 38.460 -0.217 0.000 1.296 166 Y HN 0.395 nan 8.280 nan 0.000 0.470 167 V N 1.878 121.920 119.914 0.213 0.000 2.495 167 V HA 0.385 4.503 4.120 -0.004 0.000 0.298 167 V C -1.490 174.815 176.094 0.351 0.000 1.031 167 V CA -0.607 61.792 62.300 0.165 0.000 0.871 167 V CB 1.379 33.224 31.823 0.037 0.000 0.988 167 V HN 0.869 nan 8.190 nan 0.000 0.432 168 W N 4.987 126.382 121.300 0.159 0.000 3.042 168 W HA 0.464 5.122 4.660 -0.004 0.000 0.337 168 W C 0.225 176.803 176.519 0.098 0.000 1.086 168 W CA -0.762 56.655 57.345 0.120 0.000 1.236 168 W CB 1.208 30.709 29.460 0.070 0.000 1.381 168 W HN 0.789 nan 8.180 nan 0.000 0.472 169 N N 5.182 123.481 118.700 -0.668 0.000 2.740 169 N HA -0.328 4.409 4.740 -0.004 0.000 0.248 169 N C -0.010 175.321 175.510 -0.298 0.000 1.062 169 N CA 0.958 53.624 53.050 -0.641 0.000 0.704 169 N CB -0.911 36.955 38.487 -1.034 0.000 0.968 169 N HN 0.726 nan 8.380 nan 0.000 0.547 170 N N -1.478 117.116 118.700 -0.177 0.000 2.828 170 N HA -0.160 4.578 4.740 -0.004 0.000 0.248 170 N C -1.397 174.032 175.510 -0.134 0.000 1.044 170 N CA 1.727 54.698 53.050 -0.131 0.000 0.851 170 N CB -0.471 37.898 38.487 -0.196 0.000 1.136 170 N HN 0.545 nan 8.380 nan 0.000 0.572 171 D N -0.262 120.062 120.400 -0.127 0.000 2.433 171 D HA 0.497 5.134 4.640 -0.004 0.000 0.236 171 D C 0.463 176.570 176.300 -0.321 0.000 1.026 171 D CA -0.462 53.373 54.000 -0.276 0.000 0.884 171 D CB 1.383 41.943 40.800 -0.400 0.000 1.384 171 D HN -0.020 nan 8.370 nan 0.000 0.477 172 I N 1.398 121.620 120.570 -0.580 0.000 2.440 172 I HA 0.253 4.421 4.170 -0.004 0.000 0.294 172 I C -0.712 174.915 176.117 -0.816 0.000 0.995 172 I CA -0.433 60.514 61.300 -0.588 0.000 1.306 172 I CB 0.622 38.188 38.000 -0.722 0.000 1.407 172 I HN 0.167 nan 8.210 nan 0.000 0.501 173 Y N 3.783 123.677 120.300 -0.677 0.000 2.512 173 Y HA 0.622 5.170 4.550 -0.004 0.000 0.348 173 Y C -0.438 175.114 175.900 -0.580 0.000 0.990 173 Y CA -0.889 56.769 58.100 -0.737 0.000 1.033 173 Y CB 2.115 39.847 38.460 -1.214 0.000 1.259 173 Y HN 0.100 nan 8.280 nan 0.000 0.461 174 V N 2.753 122.607 119.914 -0.099 0.000 2.656 174 V HA 0.482 4.600 4.120 -0.004 0.000 0.307 174 V C -0.912 175.327 176.094 0.242 0.000 1.051 174 V CA -1.394 60.957 62.300 0.086 0.000 0.893 174 V CB 2.049 33.942 31.823 0.116 0.000 0.999 174 V HN 0.614 nan 8.190 nan 0.000 0.426 175 K N 4.137 124.691 120.400 0.257 0.000 2.394 175 K HA 0.512 4.830 4.320 -0.004 0.000 0.260 175 K C 0.403 177.150 176.600 0.245 0.000 0.967 175 K CA -0.725 55.700 56.287 0.231 0.000 0.855 175 K CB 1.808 34.395 32.500 0.145 0.000 1.101 175 K HN 0.429 nan 8.250 nan 0.000 0.433 176 I N 1.160 121.901 120.570 0.286 0.000 2.353 176 I HA -0.074 4.094 4.170 -0.004 0.000 0.248 176 I C 0.377 176.612 176.117 0.196 0.000 1.119 176 I CA 1.454 62.887 61.300 0.222 0.000 1.417 176 I CB -0.287 37.847 38.000 0.224 0.000 1.078 176 I HN 0.570 nan 8.210 nan 0.000 0.421 177 E N -0.255 120.041 120.200 0.160 0.000 2.248 177 E HA 0.282 4.630 4.350 -0.004 0.000 0.267 177 E C -1.865 174.720 176.600 -0.025 0.000 0.877 177 E CA -2.037 54.420 56.400 0.095 0.000 0.759 177 E CB 1.906 31.659 29.700 0.087 0.000 1.182 177 E HN -0.167 nan 8.360 nan 0.000 0.418 178 P HA -0.188 nan 4.420 nan 0.000 0.217 178 P C 0.801 178.021 177.300 -0.132 0.000 1.151 178 P CA 1.446 64.396 63.100 -0.251 0.000 0.849 178 P CB 0.299 31.624 31.700 -0.624 0.000 0.787 179 N N -1.319 117.326 118.700 -0.091 0.000 2.270 179 N HA 0.021 4.758 4.740 -0.004 0.000 0.198 179 N C 0.104 175.597 175.510 -0.029 0.000 1.117 179 N CA 0.183 53.210 53.050 -0.039 0.000 0.845 179 N CB -0.145 38.340 38.487 -0.004 0.000 0.980 179 N HN 0.179 nan 8.380 nan 0.000 0.486 180 L N 0.472 121.680 121.223 -0.025 0.000 2.358 180 L HA 0.539 4.876 4.340 -0.004 0.000 0.268 180 L C -2.269 174.561 176.870 -0.065 0.000 1.032 180 L CA -2.300 52.525 54.840 -0.025 0.000 0.805 180 L CB 1.181 43.248 42.059 0.013 0.000 1.253 180 L HN -0.214 nan 8.230 nan 0.000 0.452 181 P HA 0.045 nan 4.420 nan 0.000 0.267 181 P C -0.872 176.274 177.300 -0.256 0.000 1.200 181 P CA 0.044 63.043 63.100 -0.168 0.000 0.772 181 P CB 0.602 32.191 31.700 -0.183 0.000 0.855 182 S N 1.233 116.829 115.700 -0.175 0.000 2.601 182 S HA 0.303 4.771 4.470 -0.004 0.000 0.271 182 S C -0.530 173.921 174.600 -0.248 0.000 1.305 182 S CA -0.058 58.080 58.200 -0.103 0.000 1.022 182 S CB -0.046 63.193 63.200 0.066 0.000 0.940 182 S HN 0.241 nan 8.310 nan 0.000 0.525 183 Y N 1.010 121.340 120.300 0.051 0.000 2.328 183 Y HA 0.379 4.927 4.550 -0.004 0.000 0.337 183 Y C 0.905 176.736 175.900 -0.114 0.000 1.008 183 Y CA -0.692 57.415 58.100 0.012 0.000 1.129 183 Y CB 0.705 39.172 38.460 0.011 0.000 1.185 183 Y HN 0.361 nan 8.280 nan 0.000 0.476 184 R N 3.640 124.080 120.500 -0.099 0.000 2.389 184 R HA 0.199 4.537 4.340 -0.004 0.000 0.295 184 R C 0.205 176.111 176.300 -0.656 0.000 1.075 184 R CA 0.203 55.894 56.100 -0.681 0.000 1.005 184 R CB 0.693 30.460 30.300 -0.888 0.000 0.987 184 R HN 0.780 nan 8.270 nan 0.000 0.452 185 I N 1.013 121.105 120.570 -0.796 0.000 3.339 185 I HA -0.011 4.157 4.170 -0.004 0.000 0.285 185 I C 1.141 177.001 176.117 -0.427 0.000 1.201 185 I CA 0.852 61.873 61.300 -0.466 0.000 1.434 185 I CB -0.310 37.405 38.000 -0.475 0.000 1.152 185 I HN 0.504 nan 8.210 nan 0.000 0.443 186 T N -3.781 110.349 114.554 -0.706 0.000 2.906 186 T HA 0.407 4.755 4.350 -0.004 0.000 0.295 186 T C -0.286 174.129 174.700 -0.475 0.000 1.061 186 T CA -0.518 61.358 62.100 -0.374 0.000 1.000 186 T CB 2.215 70.855 68.868 -0.380 0.000 1.103 186 T HN 0.226 nan 8.240 nan 0.000 0.486 187 W N 0.847 122.034 121.300 -0.187 0.000 2.518 187 W HA 0.125 4.783 4.660 -0.004 0.000 0.352 187 W C 1.403 177.865 176.519 -0.095 0.000 0.952 187 W CA -0.047 57.223 57.345 -0.125 0.000 1.624 187 W CB 0.651 30.059 29.460 -0.086 0.000 1.135 187 W HN 0.964 nan 8.180 nan 0.000 0.540 188 T N -2.504 112.092 114.554 0.070 0.000 3.065 188 T HA 0.161 4.508 4.350 -0.004 0.000 0.252 188 T C 1.294 175.982 174.700 -0.019 0.000 1.099 188 T CA 0.244 62.364 62.100 0.034 0.000 1.063 188 T CB 0.105 68.991 68.868 0.030 0.000 0.948 188 T HN -0.034 nan 8.240 nan 0.000 0.506 189 G N 1.293 110.050 108.800 -0.073 0.000 2.287 189 G HA2 0.291 4.249 3.960 -0.004 0.000 0.235 189 G HA3 0.291 4.249 3.960 -0.004 0.000 0.235 189 G C -0.574 174.259 174.900 -0.111 0.000 1.258 189 G CA -0.274 44.759 45.100 -0.110 0.000 0.884 189 G HN 0.569 nan 8.290 nan 0.000 0.518 190 K N 1.695 122.007 120.400 -0.147 0.000 2.619 190 K HA 0.154 4.472 4.320 -0.004 0.000 0.251 190 K C -0.154 176.320 176.600 -0.210 0.000 0.987 190 K CA -0.647 55.557 56.287 -0.137 0.000 0.844 190 K CB 1.506 33.961 32.500 -0.076 0.000 1.237 190 K HN 0.679 nan 8.250 nan 0.000 0.447 191 E N 3.382 123.468 120.200 -0.191 0.000 2.765 191 E HA -0.179 4.169 4.350 -0.004 0.000 0.256 191 E C -0.531 175.966 176.600 -0.172 0.000 0.935 191 E CA 1.066 57.349 56.400 -0.194 0.000 0.954 191 E CB 0.232 29.857 29.700 -0.126 0.000 0.908 191 E HN 0.628 nan 8.360 nan 0.000 0.500 192 D N 2.585 122.856 120.400 -0.216 0.000 3.067 192 D HA -0.241 4.397 4.640 -0.004 0.000 0.216 192 D C 0.548 176.849 176.300 0.003 0.000 1.162 192 D CA 1.302 55.286 54.000 -0.026 0.000 0.960 192 D CB -0.454 40.390 40.800 0.072 0.000 1.129 192 D HN 0.429 nan 8.370 nan 0.000 0.408 193 I N -1.056 119.419 120.570 -0.158 0.000 3.669 193 I HA 0.088 4.256 4.170 -0.004 0.000 0.255 193 I C 0.718 176.871 176.117 0.060 0.000 1.144 193 I CA 0.372 61.679 61.300 0.013 0.000 1.447 193 I CB 0.210 38.211 38.000 0.001 0.000 1.622 193 I HN -0.143 nan 8.210 nan 0.000 0.435 194 I N 1.844 122.370 120.570 -0.074 0.000 2.389 194 I HA 0.274 4.442 4.170 -0.004 0.000 0.288 194 I C -1.238 174.845 176.117 -0.056 0.000 0.999 194 I CA -0.609 60.720 61.300 0.048 0.000 1.129 194 I CB 0.819 38.838 38.000 0.032 0.000 1.288 194 I HN 0.034 nan 8.210 nan 0.000 0.444 195 Y N 4.672 125.061 120.300 0.148 0.000 2.328 195 Y HA 0.407 4.955 4.550 -0.004 0.000 0.333 195 Y C 0.401 176.354 175.900 0.089 0.000 0.958 195 Y CA -0.789 57.397 58.100 0.144 0.000 1.167 195 Y CB 1.044 39.670 38.460 0.277 0.000 1.151 195 Y HN 0.415 nan 8.280 nan 0.000 0.470 196 N N 2.014 120.770 118.700 0.093 0.000 2.424 196 N HA 0.354 5.092 4.740 -0.004 0.000 0.271 196 N C 0.902 176.343 175.510 -0.114 0.000 0.985 196 N CA 0.504 53.536 53.050 -0.029 0.000 0.921 196 N CB 1.906 40.281 38.487 -0.187 0.000 1.149 196 N HN 0.972 nan 8.380 nan 0.000 0.492 197 G N 1.482 110.222 108.800 -0.100 0.000 2.212 197 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.266 197 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.266 197 G C 0.154 174.894 174.900 -0.266 0.000 0.978 197 G CA 0.824 45.791 45.100 -0.221 0.000 0.632 197 G HN 0.671 nan 8.290 nan 0.000 0.537 198 I N -1.564 118.928 120.570 -0.131 0.000 2.934 198 I HA 0.804 4.971 4.170 -0.004 0.000 0.306 198 I C 0.358 176.514 176.117 0.066 0.000 1.110 198 I CA -0.641 60.487 61.300 -0.287 0.000 1.019 198 I CB 2.003 39.666 38.000 -0.561 0.000 1.227 198 I HN 0.158 nan 8.210 nan 0.000 0.434 199 T N -0.253 114.263 114.554 -0.063 0.000 2.874 199 T HA 0.355 4.702 4.350 -0.004 0.000 0.281 199 T C -0.148 174.342 174.700 -0.351 0.000 0.994 199 T CA -0.635 61.326 62.100 -0.232 0.000 1.015 199 T CB 1.212 70.034 68.868 -0.078 0.000 1.028 199 T HN 0.768 nan 8.240 nan 0.000 0.523 200 D N -0.027 119.938 120.400 -0.726 0.000 2.478 200 D HA 0.050 4.688 4.640 -0.004 0.000 0.274 200 D C 0.971 177.190 176.300 -0.136 0.000 1.234 200 D CA -1.079 52.474 54.000 -0.745 0.000 1.069 200 D CB -0.001 40.357 40.800 -0.737 0.000 1.113 200 D HN 0.683 nan 8.370 nan 0.000 0.571 201 W N -0.123 121.115 121.300 -0.104 0.000 2.333 201 W HA -0.191 4.466 4.660 -0.004 0.000 0.316 201 W C 2.182 178.595 176.519 -0.176 0.000 1.215 201 W CA 2.240 59.521 57.345 -0.106 0.000 1.278 201 W CB -0.478 28.857 29.460 -0.208 0.000 1.154 201 W HN 0.167 nan 8.180 nan 0.000 0.486 202 V N -0.071 119.904 119.914 0.101 0.000 2.515 202 V HA -0.285 3.833 4.120 -0.004 0.000 0.250 202 V C 1.845 177.735 176.094 -0.340 0.000 1.058 202 V CA 1.939 64.169 62.300 -0.115 0.000 1.064 202 V CB -0.724 31.037 31.823 -0.103 0.000 0.675 202 V HN 0.304 nan 8.190 nan 0.000 0.461 203 Y N 0.608 120.702 120.300 -0.342 0.000 2.314 203 Y HA -0.145 4.403 4.550 -0.004 0.000 0.293 203 Y C 2.550 178.313 175.900 -0.228 0.000 1.129 203 Y CA 2.040 59.919 58.100 -0.367 0.000 1.201 203 Y CB -0.024 38.080 38.460 -0.594 0.000 0.999 203 Y HN 0.399 nan 8.280 nan 0.000 0.541 204 E N 0.401 120.546 120.200 -0.092 0.000 2.017 204 E HA -0.290 4.057 4.350 -0.004 0.000 0.193 204 E C 2.037 178.580 176.600 -0.096 0.000 0.997 204 E CA 1.585 57.968 56.400 -0.027 0.000 0.804 204 E CB -0.032 29.661 29.700 -0.012 0.000 0.757 204 E HN 0.397 nan 8.360 nan 0.000 0.448 205 E N 0.121 120.065 120.200 -0.425 0.000 2.072 205 E HA -0.157 4.190 4.350 -0.004 0.000 0.190 205 E C 1.747 178.214 176.600 -0.221 0.000 0.982 205 E CA 1.524 57.669 56.400 -0.425 0.000 0.803 205 E CB 0.151 29.215 29.700 -1.060 0.000 0.755 205 E HN 0.253 nan 8.360 nan 0.000 0.453 206 E N -0.654 119.385 120.200 -0.268 0.000 2.290 206 E HA 0.068 4.416 4.350 -0.004 0.000 0.197 206 E C 2.052 178.517 176.600 -0.225 0.000 0.948 206 E CA 0.627 56.925 56.400 -0.170 0.000 0.895 206 E CB 0.478 30.073 29.700 -0.176 0.000 0.865 206 E HN 0.203 nan 8.360 nan 0.000 0.486 207 V N 0.104 119.798 119.914 -0.366 0.000 2.403 207 V HA -0.016 4.102 4.120 -0.004 0.000 0.239 207 V C 1.690 177.563 176.094 -0.369 0.000 1.041 207 V CA 1.114 63.114 62.300 -0.499 0.000 1.051 207 V CB -0.337 30.966 31.823 -0.867 0.000 0.704 207 V HN 0.038 nan 8.190 nan 0.000 0.472 208 F N 0.070 120.024 119.950 0.007 0.000 2.714 208 F HA 0.322 4.847 4.527 -0.004 0.000 0.294 208 F C 1.647 177.415 175.800 -0.054 0.000 1.120 208 F CA 0.138 58.160 58.000 0.037 0.000 1.398 208 F CB -0.363 38.702 39.000 0.108 0.000 1.120 208 F HN 0.052 nan 8.300 nan 0.000 0.589 209 S N 0.405 116.134 115.700 0.049 0.000 3.614 209 S HA 0.028 4.496 4.470 -0.004 0.000 0.360 209 S C -0.006 174.203 174.600 -0.652 0.000 1.023 209 S CA 0.434 58.541 58.200 -0.155 0.000 1.114 209 S CB -1.491 61.683 63.200 -0.043 0.000 0.907 209 S HN 0.685 nan 8.310 nan 0.000 0.470 210 A N -0.615 121.997 122.820 -0.347 0.000 2.597 210 A HA 0.674 4.992 4.320 -0.004 0.000 0.292 210 A C -0.401 177.141 177.584 -0.070 0.000 1.057 210 A CA -0.372 51.473 52.037 -0.320 0.000 0.674 210 A CB 0.245 19.106 19.000 -0.232 0.000 1.278 210 A HN 0.403 nan 8.150 nan 0.000 0.416 211 Y N 1.647 121.763 120.300 -0.306 0.000 2.347 211 Y HA 0.168 4.715 4.550 -0.004 0.000 0.294 211 Y C 1.562 177.149 175.900 -0.522 0.000 1.117 211 Y CA 0.905 58.826 58.100 -0.298 0.000 1.184 211 Y CB -0.050 38.272 38.460 -0.231 0.000 1.047 211 Y HN 0.793 nan 8.280 nan 0.000 0.546 212 S N 0.626 115.728 115.700 -0.996 0.000 2.576 212 S HA 0.522 4.990 4.470 -0.004 0.000 0.276 212 S C 0.263 174.320 174.600 -0.905 0.000 1.339 212 S CA -0.152 57.294 58.200 -1.257 0.000 1.039 212 S CB 1.434 63.520 63.200 -1.855 0.000 0.902 212 S HN 0.463 nan 8.310 nan 0.000 0.516 213 A N 2.267 124.576 122.820 -0.853 0.000 2.959 213 A HA 0.547 4.865 4.320 -0.004 0.000 0.280 213 A C -0.510 176.368 177.584 -1.177 0.000 0.953 213 A CA -0.726 50.757 52.037 -0.923 0.000 1.047 213 A CB -0.637 18.289 19.000 -0.122 0.000 1.147 213 A HN 1.065 nan 8.150 nan 0.000 0.489 214 L N -4.808 115.551 121.223 -1.440 0.000 2.409 214 L HA 0.904 5.242 4.340 -0.004 0.000 0.262 214 L C -1.323 174.971 176.870 -0.959 0.000 0.992 214 L CA -1.235 53.076 54.840 -0.881 0.000 0.817 214 L CB 1.088 42.879 42.059 -0.448 0.000 1.350 214 L HN 0.223 nan 8.230 nan 0.000 0.411 215 W N 1.622 122.943 121.300 0.035 0.000 2.687 215 W HA 0.319 4.977 4.660 -0.004 0.000 0.328 215 W C -1.477 175.246 176.519 0.340 0.000 1.012 215 W CA -0.774 56.707 57.345 0.225 0.000 1.262 215 W CB 1.502 31.144 29.460 0.305 0.000 1.331 215 W HN 0.623 nan 8.180 nan 0.000 0.433 216 W N 2.553 124.048 121.300 0.325 0.000 2.190 216 W HA 0.204 4.862 4.660 -0.004 0.000 0.330 216 W C 1.369 177.723 176.519 -0.275 0.000 1.299 216 W CA 0.406 57.813 57.345 0.102 0.000 1.215 216 W CB 0.810 30.302 29.460 0.053 0.000 1.147 216 W HN 0.196 nan 8.180 nan 0.000 0.563 217 S N 2.642 118.095 115.700 -0.413 0.000 2.600 217 S HA 0.188 4.655 4.470 -0.004 0.000 0.265 217 S C -1.752 172.561 174.600 -0.478 0.000 1.325 217 S CA -0.987 56.363 58.200 -1.417 0.000 1.002 217 S CB 0.980 63.394 63.200 -1.311 0.000 0.921 217 S HN 0.285 nan 8.310 nan 0.000 0.554 218 P HA -0.180 nan 4.420 nan 0.000 0.215 218 P C 0.894 178.142 177.300 -0.086 0.000 1.163 218 P CA 1.822 64.862 63.100 -0.101 0.000 0.894 218 P CB -0.231 31.457 31.700 -0.021 0.000 0.791 219 N N -2.027 116.611 118.700 -0.103 0.000 2.270 219 N HA 0.130 4.868 4.740 -0.004 0.000 0.198 219 N C 1.064 176.487 175.510 -0.146 0.000 1.117 219 N CA 0.571 53.560 53.050 -0.102 0.000 0.845 219 N CB -0.756 37.686 38.487 -0.075 0.000 0.980 219 N HN 0.216 nan 8.380 nan 0.000 0.486 220 G N -1.138 107.577 108.800 -0.141 0.000 2.179 220 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.260 220 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.260 220 G C 0.977 175.891 174.900 0.023 0.000 0.977 220 G CA 0.733 45.755 45.100 -0.129 0.000 0.641 220 G HN 0.376 nan 8.290 nan 0.000 0.533 221 T N 0.052 114.546 114.554 -0.100 0.000 2.737 221 T HA 0.198 4.545 4.350 -0.004 0.000 0.265 221 T C 0.877 175.454 174.700 -0.204 0.000 1.038 221 T CA 1.312 63.268 62.100 -0.240 0.000 1.144 221 T CB -0.097 68.461 68.868 -0.517 0.000 0.866 221 T HN 0.286 nan 8.240 nan 0.000 0.434 222 F N 0.353 120.337 119.950 0.057 0.000 2.432 222 F HA 0.622 5.147 4.527 -0.004 0.000 0.329 222 F C -0.170 175.710 175.800 0.133 0.000 1.076 222 F CA -1.674 56.398 58.000 0.121 0.000 1.018 222 F CB 1.026 40.162 39.000 0.227 0.000 1.201 222 F HN -0.097 nan 8.300 nan 0.000 0.489 223 L N 2.654 124.050 121.223 0.289 0.000 2.372 223 L HA 0.807 5.144 4.340 -0.004 0.000 0.273 223 L C -0.704 176.264 176.870 0.164 0.000 0.989 223 L CA -0.492 54.336 54.840 -0.021 0.000 0.841 223 L CB 0.782 42.567 42.059 -0.457 0.000 1.225 223 L HN 0.662 nan 8.230 nan 0.000 0.414 224 A N 4.568 127.547 122.820 0.265 0.000 2.306 224 A HA 0.858 5.176 4.320 -0.004 0.000 0.330 224 A C -1.456 176.201 177.584 0.122 0.000 1.146 224 A CA -0.248 51.819 52.037 0.049 0.000 0.827 224 A CB 0.777 19.854 19.000 0.128 0.000 1.178 224 A HN 0.935 nan 8.150 nan 0.000 0.490 225 Y N -2.347 117.761 120.300 -0.321 0.000 2.641 225 Y HA 0.724 5.272 4.550 -0.004 0.000 0.333 225 Y C -0.404 175.385 175.900 -0.185 0.000 1.174 225 Y CA -0.859 57.150 58.100 -0.151 0.000 1.057 225 Y CB 0.692 39.012 38.460 -0.234 0.000 1.322 225 Y HN 0.983 nan 8.280 nan 0.000 0.457 226 A N 1.920 124.829 122.820 0.149 0.000 2.311 226 A HA 0.727 5.045 4.320 -0.004 0.000 0.334 226 A C -1.182 176.286 177.584 -0.193 0.000 1.139 226 A CA -0.847 51.143 52.037 -0.079 0.000 0.830 226 A CB 1.792 20.696 19.000 -0.160 0.000 1.234 226 A HN 0.818 nan 8.150 nan 0.000 0.483 227 Q N 0.860 120.476 119.800 -0.307 0.000 2.321 227 Q HA 0.598 4.936 4.340 -0.004 0.000 0.270 227 Q C -2.092 173.678 176.000 -0.382 0.000 1.032 227 Q CA -0.364 55.344 55.803 -0.157 0.000 0.784 227 Q CB 1.057 29.924 28.738 0.215 0.000 1.264 227 Q HN 0.583 nan 8.270 nan 0.000 0.448 228 F N 2.222 122.282 119.950 0.184 0.000 2.443 228 F HA 0.436 4.961 4.527 -0.004 0.000 0.335 228 F C 0.417 176.374 175.800 0.260 0.000 1.104 228 F CA -0.921 57.171 58.000 0.154 0.000 1.013 228 F CB 1.396 40.412 39.000 0.026 0.000 1.136 228 F HN 0.437 nan 8.300 nan 0.000 0.470 229 N N 1.815 120.742 118.700 0.378 0.000 2.479 229 N HA 0.224 4.961 4.740 -0.004 0.000 0.261 229 N C -0.979 174.708 175.510 0.295 0.000 0.979 229 N CA -0.316 52.912 53.050 0.298 0.000 0.930 229 N CB 1.119 39.726 38.487 0.201 0.000 1.172 229 N HN 0.577 nan 8.380 nan 0.000 0.499 230 D N 1.338 121.932 120.400 0.323 0.000 2.424 230 D HA 0.131 4.768 4.640 -0.004 0.000 0.220 230 D C 1.199 177.615 176.300 0.194 0.000 1.150 230 D CA 0.098 54.266 54.000 0.279 0.000 0.831 230 D CB 0.590 41.616 40.800 0.377 0.000 0.981 230 D HN 0.462 nan 8.370 nan 0.000 0.500 231 T N 0.350 114.998 114.554 0.157 0.000 2.649 231 T HA -0.232 4.116 4.350 -0.004 0.000 0.268 231 T C 1.364 176.119 174.700 0.091 0.000 1.036 231 T CA 1.374 63.539 62.100 0.108 0.000 1.157 231 T CB -0.069 68.851 68.868 0.088 0.000 0.861 231 T HN 0.309 nan 8.240 nan 0.000 0.445 232 E N 0.228 120.483 120.200 0.091 0.000 2.465 232 E HA 0.180 4.528 4.350 -0.004 0.000 0.195 232 E C -0.450 176.197 176.600 0.078 0.000 1.028 232 E CA -0.258 56.186 56.400 0.073 0.000 0.899 232 E CB 0.581 30.317 29.700 0.060 0.000 1.032 232 E HN 0.200 nan 8.360 nan 0.000 0.468 233 V N 3.555 123.530 119.914 0.102 0.000 2.508 233 V HA 0.093 4.211 4.120 -0.004 0.000 0.281 233 V C -2.014 174.134 176.094 0.089 0.000 1.041 233 V CA -1.481 60.882 62.300 0.105 0.000 1.016 233 V CB 0.448 32.354 31.823 0.137 0.000 0.984 233 V HN 0.054 nan 8.190 nan 0.000 0.478 234 P HA 0.258 nan 4.420 nan 0.000 0.272 234 P C -0.779 176.553 177.300 0.053 0.000 1.223 234 P CA -0.252 62.880 63.100 0.054 0.000 0.784 234 P CB 0.500 32.228 31.700 0.047 0.000 0.923 235 L N 2.185 123.416 121.223 0.014 0.000 2.309 235 L HA 0.453 4.791 4.340 -0.004 0.000 0.282 235 L C 0.362 177.171 176.870 -0.102 0.000 1.036 235 L CA -0.959 53.870 54.840 -0.020 0.000 0.806 235 L CB 0.966 43.009 42.059 -0.027 0.000 1.220 235 L HN 0.294 nan 8.230 nan 0.000 0.429 236 I N 2.410 122.866 120.570 -0.191 0.000 2.428 236 I HA 0.269 4.437 4.170 -0.004 0.000 0.289 236 I C -0.407 175.546 176.117 -0.274 0.000 1.019 236 I CA 0.195 61.269 61.300 -0.377 0.000 1.351 236 I CB 0.855 38.337 38.000 -0.864 0.000 1.412 236 I HN 0.589 nan 8.210 nan 0.000 0.513 237 E N 7.351 127.413 120.200 -0.230 0.000 2.256 237 E HA 0.505 4.853 4.350 -0.004 0.000 0.268 237 E C -1.797 174.725 176.600 -0.130 0.000 0.877 237 E CA -0.584 55.682 56.400 -0.224 0.000 0.757 237 E CB 1.988 31.589 29.700 -0.164 0.000 1.183 237 E HN 0.579 nan 8.360 nan 0.000 0.418 238 Y N -1.603 118.615 120.300 -0.136 0.000 2.597 238 Y HA 0.595 5.142 4.550 -0.004 0.000 0.340 238 Y C -0.642 175.191 175.900 -0.111 0.000 1.097 238 Y CA -1.276 56.752 58.100 -0.120 0.000 1.037 238 Y CB 0.930 39.331 38.460 -0.098 0.000 1.305 238 Y HN 0.216 nan 8.280 nan 0.000 0.463 239 S N 1.775 117.464 115.700 -0.019 0.000 2.584 239 S HA 0.499 4.966 4.470 -0.004 0.000 0.273 239 S C -1.423 173.031 174.600 -0.243 0.000 1.311 239 S CA -0.406 57.641 58.200 -0.255 0.000 1.034 239 S CB 0.592 63.488 63.200 -0.507 0.000 0.939 239 S HN 0.544 nan 8.310 nan 0.000 0.513 240 F N 1.835 121.520 119.950 -0.442 0.000 2.507 240 F HA 0.439 4.964 4.527 -0.004 0.000 0.328 240 F C -0.304 175.258 175.800 -0.397 0.000 1.136 240 F CA -0.886 56.950 58.000 -0.273 0.000 0.930 240 F CB 0.860 39.831 39.000 -0.049 0.000 1.166 240 F HN 0.653 nan 8.300 nan 0.000 0.436 241 Y N 2.754 122.836 120.300 -0.365 0.000 2.397 241 Y HA 0.127 4.675 4.550 -0.004 0.000 0.292 241 Y C 1.719 177.542 175.900 -0.129 0.000 1.115 241 Y CA 1.092 59.074 58.100 -0.197 0.000 1.208 241 Y CB -0.505 37.830 38.460 -0.208 0.000 1.046 241 Y HN 0.743 nan 8.280 nan 0.000 0.552 242 S N -0.256 115.347 115.700 -0.162 0.000 3.443 242 S HA -0.220 4.248 4.470 -0.004 0.000 0.635 242 S C -0.560 174.087 174.600 0.079 0.000 2.555 242 S CA 0.273 58.539 58.200 0.110 0.000 2.778 242 S CB -1.210 62.155 63.200 0.274 0.000 0.331 242 S HN 0.446 nan 8.310 nan 0.000 1.765 243 D N 1.546 122.010 120.400 0.107 0.000 2.378 243 D HA 0.167 4.805 4.640 -0.004 0.000 0.238 243 D C 1.384 177.717 176.300 0.055 0.000 1.180 243 D CA 0.398 54.441 54.000 0.071 0.000 0.895 243 D CB 0.177 41.020 40.800 0.071 0.000 1.192 243 D HN 0.622 nan 8.370 nan 0.000 0.438 244 E N 0.417 120.638 120.200 0.034 0.000 2.219 244 E HA -0.221 4.127 4.350 -0.004 0.000 0.198 244 E C 1.524 178.137 176.600 0.020 0.000 0.998 244 E CA 1.268 57.679 56.400 0.019 0.000 0.818 244 E CB 0.153 29.857 29.700 0.007 0.000 0.741 244 E HN 0.450 nan 8.360 nan 0.000 0.477 245 S N 0.293 116.011 115.700 0.030 0.000 2.442 245 S HA -0.150 4.317 4.470 -0.004 0.000 0.236 245 S C 0.974 175.596 174.600 0.037 0.000 1.007 245 S CA 0.079 58.296 58.200 0.029 0.000 0.965 245 S CB -0.256 62.964 63.200 0.035 0.000 0.773 245 S HN 0.233 nan 8.310 nan 0.000 0.504 246 L N 2.562 123.816 121.223 0.053 0.000 2.500 246 L HA 0.244 4.582 4.340 -0.004 0.000 0.272 246 L C 1.403 178.299 176.870 0.043 0.000 1.149 246 L CA 0.194 55.075 54.840 0.068 0.000 0.897 246 L CB 0.488 42.605 42.059 0.097 0.000 1.178 246 L HN 0.292 nan 8.230 nan 0.000 0.473 247 Q N 3.930 123.750 119.800 0.035 0.000 2.083 247 Q HA -0.061 4.276 4.340 -0.004 0.000 0.198 247 Q C -0.489 175.398 176.000 -0.188 0.000 0.969 247 Q CA 1.166 56.926 55.803 -0.072 0.000 0.838 247 Q CB 0.136 28.834 28.738 -0.066 0.000 0.900 247 Q HN 0.675 nan 8.270 nan 0.000 0.436 248 Y N 0.806 121.122 120.300 0.026 0.000 2.341 248 Y HA 0.387 4.935 4.550 -0.004 0.000 0.337 248 Y C -2.036 173.876 175.900 0.020 0.000 1.014 248 Y CA -2.847 55.265 58.100 0.019 0.000 1.111 248 Y CB 1.341 39.804 38.460 0.005 0.000 1.194 248 Y HN 0.163 nan 8.280 nan 0.000 0.462 249 P HA 0.039 nan 4.420 nan 0.000 0.269 249 P C -0.861 176.451 177.300 0.021 0.000 1.215 249 P CA -0.515 62.607 63.100 0.037 0.000 0.780 249 P CB 0.667 32.332 31.700 -0.057 0.000 0.898 250 K N 0.930 121.327 120.400 -0.005 0.000 2.118 250 K HA 0.354 4.671 4.320 -0.004 0.000 0.267 250 K C -0.730 175.828 176.600 -0.071 0.000 0.991 250 K CA -0.332 55.954 56.287 -0.002 0.000 0.916 250 K CB 0.488 33.020 32.500 0.053 0.000 1.041 250 K HN 0.292 nan 8.250 nan 0.000 0.455 251 T N 3.208 117.706 114.554 -0.093 0.000 2.753 251 T HA 0.226 4.574 4.350 -0.004 0.000 0.297 251 T C -0.697 173.879 174.700 -0.206 0.000 0.981 251 T CA -0.629 61.380 62.100 -0.153 0.000 0.956 251 T CB 0.929 69.721 68.868 -0.126 0.000 0.936 251 T HN 0.325 nan 8.240 nan 0.000 0.463 252 V N 5.758 125.455 119.914 -0.362 0.000 2.530 252 V HA 0.401 4.519 4.120 -0.004 0.000 0.282 252 V C 0.445 176.278 176.094 -0.435 0.000 1.048 252 V CA -0.391 61.647 62.300 -0.438 0.000 0.997 252 V CB 0.738 32.131 31.823 -0.717 0.000 0.987 252 V HN 0.713 nan 8.190 nan 0.000 0.477 253 R N 3.715 124.085 120.500 -0.217 0.000 2.451 253 R HA 0.708 5.045 4.340 -0.004 0.000 0.307 253 R C -1.690 174.594 176.300 -0.027 0.000 0.965 253 R CA -0.559 55.456 56.100 -0.141 0.000 0.865 253 R CB 2.152 32.399 30.300 -0.089 0.000 1.174 253 R HN 0.498 nan 8.270 nan 0.000 0.455 254 V N 4.062 123.958 119.914 -0.029 0.000 2.577 254 V HA 0.337 4.454 4.120 -0.004 0.000 0.303 254 V C -2.371 173.771 176.094 0.081 0.000 1.042 254 V CA -2.494 59.855 62.300 0.081 0.000 0.872 254 V CB 2.297 34.137 31.823 0.029 0.000 0.998 254 V HN 0.594 nan 8.190 nan 0.000 0.423 255 P HA 0.145 nan 4.420 nan 0.000 0.265 255 P C -1.372 176.034 177.300 0.177 0.000 1.222 255 P CA 0.392 63.598 63.100 0.177 0.000 0.767 255 P CB -0.188 31.665 31.700 0.255 0.000 0.801 256 Y N 6.481 126.758 120.300 -0.037 0.000 2.307 256 Y HA 0.378 4.926 4.550 -0.004 0.000 0.323 256 Y C -2.770 173.101 175.900 -0.048 0.000 1.100 256 Y CA -2.830 55.203 58.100 -0.112 0.000 1.140 256 Y CB 1.870 40.136 38.460 -0.324 0.000 1.159 256 Y HN 0.277 nan 8.280 nan 0.000 0.436 257 P HA 0.264 nan 4.420 nan 0.000 0.291 257 P C -0.890 176.462 177.300 0.086 0.000 1.340 257 P CA -0.237 62.901 63.100 0.062 0.000 0.799 257 P CB 1.378 33.097 31.700 0.032 0.000 0.917 258 K N 2.057 122.587 120.400 0.216 0.000 2.120 258 K HA 0.471 4.789 4.320 -0.004 0.000 0.245 258 K C 0.626 177.325 176.600 0.165 0.000 1.024 258 K CA -0.652 55.784 56.287 0.247 0.000 0.906 258 K CB 0.465 33.120 32.500 0.257 0.000 1.051 258 K HN 0.448 nan 8.250 nan 0.000 0.491 259 A N 0.723 123.663 122.820 0.201 0.000 2.566 259 A HA 0.276 4.594 4.320 -0.004 0.000 0.245 259 A C 1.182 178.802 177.584 0.059 0.000 1.056 259 A CA 0.987 53.127 52.037 0.171 0.000 0.757 259 A CB -1.213 17.962 19.000 0.292 0.000 0.979 259 A HN 0.894 nan 8.150 nan 0.000 0.508 260 G N 0.999 109.829 108.800 0.050 0.000 2.205 260 G HA2 0.087 4.045 3.960 -0.004 0.000 0.261 260 G HA3 0.087 4.045 3.960 -0.004 0.000 0.261 260 G C 0.708 175.621 174.900 0.021 0.000 0.980 260 G CA 0.797 45.902 45.100 0.007 0.000 0.632 260 G HN 2.166 nan 8.290 nan 0.000 0.533 261 A N -0.363 122.485 122.820 0.046 0.000 2.267 261 A HA 0.733 5.050 4.320 -0.004 0.000 0.271 261 A C 0.878 178.490 177.584 0.047 0.000 1.131 261 A CA 0.340 52.406 52.037 0.048 0.000 0.818 261 A CB 0.576 19.619 19.000 0.071 0.000 1.118 261 A HN 1.165 nan 8.150 nan 0.000 0.501 262 V N 2.424 122.366 119.914 0.047 0.000 2.529 262 V HA 0.033 4.151 4.120 -0.004 0.000 0.292 262 V C 0.317 176.450 176.094 0.065 0.000 1.028 262 V CA -0.132 62.196 62.300 0.047 0.000 1.074 262 V CB -0.241 31.611 31.823 0.049 0.000 0.958 262 V HN 0.784 nan 8.190 nan 0.000 0.481 263 N N 6.315 125.051 118.700 0.060 0.000 2.476 263 N HA 0.480 5.217 4.740 -0.004 0.000 0.275 263 N C -2.368 173.218 175.510 0.128 0.000 1.190 263 N CA -1.469 51.637 53.050 0.095 0.000 0.977 263 N CB 1.080 39.614 38.487 0.077 0.000 1.200 263 N HN 0.397 nan 8.380 nan 0.000 0.515 264 P HA 0.135 nan 4.420 nan 0.000 0.276 264 P C -0.447 177.008 177.300 0.257 0.000 1.244 264 P CA -0.195 63.059 63.100 0.256 0.000 0.801 264 P CB 0.546 32.447 31.700 0.335 0.000 1.006 265 T N -1.688 112.999 114.554 0.222 0.000 2.948 265 T HA 0.615 4.963 4.350 -0.004 0.000 0.285 265 T C -0.259 174.582 174.700 0.236 0.000 1.019 265 T CA -0.829 61.361 62.100 0.150 0.000 1.013 265 T CB 1.449 70.366 68.868 0.081 0.000 1.117 265 T HN 0.356 nan 8.240 nan 0.000 0.533 266 V N -0.031 120.000 119.914 0.194 0.000 3.049 266 V HA 0.758 4.875 4.120 -0.004 0.000 0.309 266 V C -1.630 174.564 176.094 0.166 0.000 1.148 266 V CA -0.881 61.516 62.300 0.160 0.000 0.990 266 V CB 2.169 34.128 31.823 0.227 0.000 1.039 266 V HN 1.067 nan 8.190 nan 0.000 0.430 267 K N 3.895 124.325 120.400 0.050 0.000 2.435 267 K HA 0.595 4.913 4.320 -0.004 0.000 0.251 267 K C -1.983 174.554 176.600 -0.105 0.000 0.954 267 K CA -0.512 55.771 56.287 -0.007 0.000 0.820 267 K CB 2.737 35.205 32.500 -0.054 0.000 1.292 267 K HN 0.567 nan 8.250 nan 0.000 0.436 268 F N 2.271 121.936 119.950 -0.474 0.000 2.520 268 F HA 0.583 5.108 4.527 -0.004 0.000 0.322 268 F C -1.508 173.778 175.800 -0.857 0.000 1.103 268 F CA -0.635 57.075 58.000 -0.484 0.000 0.926 268 F CB 0.867 39.700 39.000 -0.278 0.000 1.154 268 F HN 0.387 nan 8.300 nan 0.000 0.453 269 F N 3.722 122.931 119.950 -1.234 0.000 2.613 269 F HA 0.774 5.299 4.527 -0.004 0.000 0.314 269 F C -1.033 174.098 175.800 -1.114 0.000 1.075 269 F CA -1.248 56.137 58.000 -1.025 0.000 0.945 269 F CB 2.046 40.412 39.000 -1.055 0.000 1.310 269 F HN 0.149 nan 8.300 nan 0.000 0.467 270 V N 2.223 121.907 119.914 -0.383 0.000 2.686 270 V HA 0.636 4.754 4.120 -0.004 0.000 0.306 270 V C -1.207 174.957 176.094 0.117 0.000 1.065 270 V CA -0.806 61.350 62.300 -0.239 0.000 0.894 270 V CB 1.946 33.447 31.823 -0.537 0.000 1.004 270 V HN 0.635 nan 8.190 nan 0.000 0.424 271 V N 4.089 124.146 119.914 0.239 0.000 2.769 271 V HA 0.535 4.653 4.120 -0.004 0.000 0.312 271 V C -0.138 176.193 176.094 0.396 0.000 1.061 271 V CA -0.671 61.806 62.300 0.295 0.000 0.931 271 V CB 2.096 34.042 31.823 0.205 0.000 1.010 271 V HN 1.014 nan 8.190 nan 0.000 0.433 272 N N 2.994 121.909 118.700 0.359 0.000 2.439 272 N HA 0.131 4.868 4.740 -0.004 0.000 0.243 272 N C 1.272 176.807 175.510 0.041 0.000 1.088 272 N CA 0.359 53.527 53.050 0.197 0.000 0.940 272 N CB 1.074 39.638 38.487 0.128 0.000 1.180 272 N HN 0.894 nan 8.380 nan 0.000 0.505 273 T N 0.169 114.743 114.554 0.033 0.000 3.007 273 T HA -0.106 4.242 4.350 -0.004 0.000 0.270 273 T C 0.963 175.630 174.700 -0.056 0.000 1.107 273 T CA 0.896 63.006 62.100 0.017 0.000 1.118 273 T CB -0.001 68.970 68.868 0.173 0.000 0.889 273 T HN 0.369 nan 8.240 nan 0.000 0.506 274 D N 1.732 122.076 120.400 -0.094 0.000 2.312 274 D HA -0.009 4.629 4.640 -0.004 0.000 0.211 274 D C 2.186 178.426 176.300 -0.099 0.000 0.964 274 D CA 1.200 55.136 54.000 -0.106 0.000 0.877 274 D CB -0.113 40.602 40.800 -0.142 0.000 0.924 274 D HN 0.703 nan 8.370 nan 0.000 0.515 275 S N -0.799 114.848 115.700 -0.089 0.000 2.556 275 S HA 0.101 4.569 4.470 -0.004 0.000 0.216 275 S C 1.997 176.527 174.600 -0.117 0.000 0.970 275 S CA -0.252 57.909 58.200 -0.066 0.000 0.912 275 S CB -0.162 63.032 63.200 -0.010 0.000 0.790 275 S HN 0.149 nan 8.310 nan 0.000 0.504 276 L N 2.394 123.478 121.223 -0.232 0.000 2.043 276 L HA -0.108 4.230 4.340 -0.004 0.000 0.212 276 L C 2.757 179.320 176.870 -0.511 0.000 1.075 276 L CA 1.652 56.207 54.840 -0.474 0.000 0.752 276 L CB -0.793 40.734 42.059 -0.886 0.000 0.891 276 L HN 0.591 nan 8.230 nan 0.000 0.432 277 S N -2.810 112.674 115.700 -0.360 0.000 2.650 277 S HA 0.060 4.528 4.470 -0.004 0.000 0.219 277 S C 1.489 176.098 174.600 0.014 0.000 0.960 277 S CA 0.398 58.559 58.200 -0.065 0.000 0.925 277 S CB 0.356 63.579 63.200 0.039 0.000 0.775 277 S HN 0.248 nan 8.310 nan 0.000 0.525 278 S N 0.478 116.167 115.700 -0.019 0.000 2.554 278 S HA 0.345 4.813 4.470 -0.004 0.000 0.227 278 S C 0.382 174.998 174.600 0.027 0.000 1.050 278 S CA 0.114 58.322 58.200 0.013 0.000 0.927 278 S CB 0.854 64.056 63.200 0.003 0.000 0.859 278 S HN 0.646 nan 8.310 nan 0.000 0.494 279 V N 0.362 120.290 119.914 0.024 0.000 2.823 279 V HA 0.583 4.700 4.120 -0.004 0.000 0.312 279 V C 1.211 177.346 176.094 0.069 0.000 1.072 279 V CA -0.348 61.977 62.300 0.042 0.000 0.937 279 V CB 1.079 32.925 31.823 0.038 0.000 1.013 279 V HN 0.254 nan 8.190 nan 0.000 0.430 280 T N -0.934 113.664 114.554 0.072 0.000 2.833 280 T HA -0.063 4.285 4.350 -0.004 0.000 0.269 280 T C 0.780 175.552 174.700 0.120 0.000 1.054 280 T CA 1.822 63.980 62.100 0.096 0.000 1.135 280 T CB -0.383 68.522 68.868 0.063 0.000 0.869 280 T HN 0.836 nan 8.240 nan 0.000 0.466 281 N N 1.003 119.756 118.700 0.088 0.000 2.685 281 N HA 0.511 5.249 4.740 -0.004 0.000 0.252 281 N C -0.952 174.614 175.510 0.093 0.000 1.261 281 N CA -0.216 52.898 53.050 0.106 0.000 0.768 281 N CB 1.141 39.633 38.487 0.007 0.000 1.304 281 N HN 0.534 nan 8.380 nan 0.000 0.536 282 A N 1.739 124.621 122.820 0.102 0.000 2.546 282 A HA 0.251 4.568 4.320 -0.004 0.000 0.243 282 A C 0.379 178.030 177.584 0.111 0.000 1.063 282 A CA 0.432 52.521 52.037 0.087 0.000 0.757 282 A CB -0.209 18.827 19.000 0.059 0.000 0.991 282 A HN 0.519 nan 8.150 nan 0.000 0.503 283 T N 3.063 117.686 114.554 0.116 0.000 2.814 283 T HA 0.252 4.600 4.350 -0.004 0.000 0.297 283 T C 0.522 175.322 174.700 0.168 0.000 0.956 283 T CA 0.303 62.480 62.100 0.129 0.000 1.123 283 T CB 0.390 69.336 68.868 0.129 0.000 0.902 283 T HN 0.557 nan 8.240 nan 0.000 0.528 284 S N 4.200 119.991 115.700 0.151 0.000 2.416 284 S HA 0.271 4.739 4.470 -0.004 0.000 0.287 284 S C 0.433 175.186 174.600 0.255 0.000 1.139 284 S CA -0.730 57.574 58.200 0.173 0.000 1.058 284 S CB -0.096 63.134 63.200 0.050 0.000 0.967 284 S HN 0.437 nan 8.310 nan 0.000 0.495 285 I N 3.852 124.582 120.570 0.266 0.000 2.396 285 I HA 0.184 4.352 4.170 -0.004 0.000 0.289 285 I C 0.735 176.967 176.117 0.192 0.000 1.056 285 I CA -0.031 61.435 61.300 0.275 0.000 1.365 285 I CB 0.451 38.690 38.000 0.400 0.000 1.407 285 I HN 0.635 nan 8.210 nan 0.000 0.509 286 Q N 6.207 126.096 119.800 0.148 0.000 2.293 286 Q HA 0.486 4.824 4.340 -0.004 0.000 0.251 286 Q C -1.083 174.865 176.000 -0.087 0.000 0.930 286 Q CA -0.419 55.280 55.803 -0.173 0.000 0.893 286 Q CB 1.289 29.853 28.738 -0.291 0.000 1.215 286 Q HN 0.559 nan 8.270 nan 0.000 0.425 287 I N 3.633 124.142 120.570 -0.103 0.000 2.382 287 I HA 0.214 4.381 4.170 -0.004 0.000 0.286 287 I C 0.020 176.146 176.117 0.015 0.000 1.002 287 I CA -0.696 60.617 61.300 0.021 0.000 1.135 287 I CB 1.754 39.801 38.000 0.078 0.000 1.288 287 I HN 0.679 nan 8.210 nan 0.000 0.448 288 T N 2.954 117.477 114.554 -0.052 0.000 2.904 288 T HA 0.660 5.008 4.350 -0.004 0.000 0.290 288 T C 0.380 174.910 174.700 -0.285 0.000 1.018 288 T CA -0.825 61.186 62.100 -0.148 0.000 1.075 288 T CB 1.604 70.377 68.868 -0.158 0.000 0.986 288 T HN 0.582 nan 8.240 nan 0.000 0.523 289 A N 3.642 126.048 122.820 -0.690 0.000 2.425 289 A HA 0.539 4.856 4.320 -0.004 0.000 0.242 289 A C -1.775 175.360 177.584 -0.749 0.000 1.077 289 A CA -1.452 49.761 52.037 -1.373 0.000 0.781 289 A CB -0.672 17.076 19.000 -2.086 0.000 1.020 289 A HN 0.810 nan 8.150 nan 0.000 0.494 290 P HA 0.149 nan 4.420 nan 0.000 0.272 290 P C 0.713 177.820 177.300 -0.321 0.000 1.230 290 P CA 0.529 63.426 63.100 -0.338 0.000 0.788 290 P CB 0.856 32.426 31.700 -0.215 0.000 0.949 291 A N 2.632 125.327 122.820 -0.208 0.000 1.986 291 A HA -0.209 4.109 4.320 -0.004 0.000 0.220 291 A C 2.216 179.700 177.584 -0.165 0.000 1.171 291 A CA 2.412 54.344 52.037 -0.175 0.000 0.640 291 A CB -1.799 17.131 19.000 -0.116 0.000 0.811 291 A HN 0.682 nan 8.150 nan 0.000 0.451 292 S N -1.268 114.355 115.700 -0.128 0.000 2.442 292 S HA -0.110 4.358 4.470 -0.004 0.000 0.236 292 S C 1.726 176.256 174.600 -0.117 0.000 1.007 292 S CA 1.583 59.733 58.200 -0.083 0.000 0.965 292 S CB -0.290 62.936 63.200 0.044 0.000 0.773 292 S HN 0.430 nan 8.310 nan 0.000 0.504 293 M N 0.738 120.194 119.600 -0.241 0.000 2.552 293 M HA 0.357 4.835 4.480 -0.004 0.000 0.264 293 M C 2.011 178.033 176.300 -0.464 0.000 1.159 293 M CA 0.634 55.712 55.300 -0.369 0.000 1.176 293 M CB -1.080 31.132 32.600 -0.647 0.000 1.327 293 M HN 0.313 nan 8.290 nan 0.000 0.481 294 L N 1.028 121.978 121.223 -0.455 0.000 2.265 294 L HA -0.162 4.175 4.340 -0.004 0.000 0.215 294 L C 2.329 179.126 176.870 -0.122 0.000 1.117 294 L CA 0.743 55.408 54.840 -0.291 0.000 0.782 294 L CB -0.996 40.913 42.059 -0.250 0.000 0.914 294 L HN 0.315 nan 8.230 nan 0.000 0.441 295 I N -2.228 118.271 120.570 -0.119 0.000 2.530 295 I HA -0.010 4.157 4.170 -0.004 0.000 0.257 295 I C 1.128 177.222 176.117 -0.038 0.000 1.179 295 I CA 1.049 62.305 61.300 -0.074 0.000 1.440 295 I CB -0.604 37.346 38.000 -0.084 0.000 1.087 295 I HN 0.130 nan 8.210 nan 0.000 0.440 296 G N -0.169 108.627 108.800 -0.008 0.000 2.706 296 G HA2 0.296 4.254 3.960 -0.004 0.000 0.307 296 G HA3 0.296 4.254 3.960 -0.004 0.000 0.307 296 G C -1.804 173.153 174.900 0.094 0.000 1.307 296 G CA -0.570 44.542 45.100 0.019 0.000 0.790 296 G HN 0.023 nan 8.290 nan 0.000 0.503 297 D N 1.134 121.538 120.400 0.007 0.000 2.443 297 D HA 0.429 5.067 4.640 -0.004 0.000 0.239 297 D C 0.364 176.610 176.300 -0.091 0.000 1.136 297 D CA 0.707 54.651 54.000 -0.092 0.000 0.879 297 D CB 0.461 41.167 40.800 -0.157 0.000 1.195 297 D HN 0.535 nan 8.370 nan 0.000 0.443 298 H N -0.862 118.072 119.070 -0.226 0.000 2.933 298 H HA 0.449 5.003 4.556 -0.004 0.000 0.310 298 H C -1.358 173.850 175.328 -0.200 0.000 1.351 298 H CA -0.786 55.136 56.048 -0.210 0.000 1.137 298 H CB 0.327 30.083 29.762 -0.011 0.000 1.853 298 H HN 0.306 nan 8.280 nan 0.000 0.539 299 Y N -0.110 120.407 120.300 0.362 0.000 2.576 299 Y HA 0.417 4.965 4.550 -0.004 0.000 0.346 299 Y C -0.489 175.698 175.900 0.479 0.000 1.018 299 Y CA -1.186 57.131 58.100 0.361 0.000 1.050 299 Y CB 1.977 40.495 38.460 0.097 0.000 1.280 299 Y HN 0.477 nan 8.280 nan 0.000 0.474 300 L N 2.867 124.442 121.223 0.586 0.000 2.265 300 L HA 0.444 4.781 4.340 -0.004 0.000 0.289 300 L C 0.239 177.130 176.870 0.036 0.000 1.033 300 L CA -0.493 54.361 54.840 0.023 0.000 0.814 300 L CB 0.356 42.366 42.059 -0.082 0.000 1.203 300 L HN 0.946 nan 8.230 nan 0.000 0.423 301 C N 1.188 120.407 119.300 -0.134 0.000 3.183 301 C HA 0.530 4.987 4.460 -0.004 0.000 0.285 301 C C 0.209 175.128 174.990 -0.119 0.000 1.313 301 C CA -0.453 58.449 59.018 -0.192 0.000 1.711 301 C CB -0.852 26.814 27.740 -0.123 0.000 2.135 301 C HN 0.852 nan 8.230 nan 0.000 0.651 302 D N -0.008 120.299 120.400 -0.155 0.000 2.769 302 D HA 0.428 5.065 4.640 -0.004 0.000 0.219 302 D C -1.941 174.075 176.300 -0.475 0.000 1.245 302 D CA 0.100 54.000 54.000 -0.168 0.000 0.801 302 D CB 2.738 43.422 40.800 -0.194 0.000 1.598 302 D HN 0.036 nan 8.370 nan 0.000 0.485 303 V N 2.253 121.810 119.914 -0.595 0.000 2.612 303 V HA 0.556 4.674 4.120 -0.004 0.000 0.301 303 V C -0.590 175.095 176.094 -0.682 0.000 1.059 303 V CA -0.395 61.329 62.300 -0.960 0.000 0.886 303 V CB 2.001 32.736 31.823 -1.812 0.000 1.007 303 V HN 0.653 nan 8.190 nan 0.000 0.426 304 T N 3.458 117.703 114.554 -0.514 0.000 3.143 304 T HA 0.344 4.692 4.350 -0.004 0.000 0.312 304 T C -0.927 173.614 174.700 -0.264 0.000 0.986 304 T CA -0.483 61.479 62.100 -0.230 0.000 1.024 304 T CB 0.850 69.674 68.868 -0.074 0.000 1.030 304 T HN 0.514 nan 8.240 nan 0.000 0.448 305 W N 1.985 123.198 121.300 -0.145 0.000 2.190 305 W HA 0.488 5.146 4.660 -0.004 0.000 0.330 305 W C 1.129 177.459 176.519 -0.315 0.000 1.299 305 W CA -0.242 57.004 57.345 -0.165 0.000 1.215 305 W CB 0.629 30.086 29.460 -0.004 0.000 1.147 305 W HN 0.834 nan 8.180 nan 0.000 0.563 306 A N 1.671 124.335 122.820 -0.258 0.000 1.963 306 A HA 0.238 4.556 4.320 -0.004 0.000 0.207 306 A C 0.767 178.291 177.584 -0.099 0.000 1.243 306 A CA 1.407 53.057 52.037 -0.644 0.000 0.728 306 A CB -0.253 17.965 19.000 -1.304 0.000 0.895 306 A HN 0.529 nan 8.150 nan 0.000 0.467 307 T N -5.554 109.062 114.554 0.103 0.000 2.681 307 T HA 0.327 4.675 4.350 -0.004 0.000 0.296 307 T C 0.075 174.938 174.700 0.272 0.000 1.157 307 T CA -0.356 61.845 62.100 0.168 0.000 1.025 307 T CB 0.648 69.604 68.868 0.147 0.000 1.441 307 T HN -0.061 nan 8.240 nan 0.000 0.504 308 Q N 0.339 120.262 119.800 0.205 0.000 2.226 308 Q HA 0.001 4.338 4.340 -0.004 0.000 0.204 308 Q C 0.886 177.147 176.000 0.436 0.000 0.975 308 Q CA 1.547 57.474 55.803 0.206 0.000 0.866 308 Q CB -0.141 28.680 28.738 0.139 0.000 0.915 308 Q HN 0.829 nan 8.270 nan 0.000 0.440 309 E N -0.163 120.304 120.200 0.444 0.000 2.758 309 E HA 0.193 4.540 4.350 -0.004 0.000 0.215 309 E C -0.226 176.688 176.600 0.522 0.000 0.985 309 E CA -0.179 56.529 56.400 0.515 0.000 1.102 309 E CB 0.945 30.850 29.700 0.341 0.000 1.042 309 E HN -0.027 nan 8.360 nan 0.000 0.480 310 R N 1.682 122.491 120.500 0.514 0.000 2.514 310 R HA 0.502 4.840 4.340 -0.004 0.000 0.296 310 R C -1.687 174.664 176.300 0.084 0.000 1.012 310 R CA -0.428 55.847 56.100 0.291 0.000 0.897 310 R CB 1.215 31.579 30.300 0.108 0.000 1.184 310 R HN 0.075 nan 8.270 nan 0.000 0.440 311 I N 3.175 123.612 120.570 -0.222 0.000 2.569 311 I HA 0.467 4.635 4.170 -0.004 0.000 0.296 311 I C -0.938 174.860 176.117 -0.531 0.000 1.028 311 I CA -0.510 60.356 61.300 -0.723 0.000 1.082 311 I CB 2.227 39.310 38.000 -1.528 0.000 1.264 311 I HN 0.854 nan 8.210 nan 0.000 0.429 312 S N 7.924 123.295 115.700 -0.549 0.000 2.532 312 S HA 0.839 5.307 4.470 -0.004 0.000 0.301 312 S C -0.814 173.451 174.600 -0.558 0.000 1.083 312 S CA -0.701 57.258 58.200 -0.403 0.000 1.025 312 S CB 1.769 64.854 63.200 -0.192 0.000 1.056 312 S HN 0.706 nan 8.310 nan 0.000 0.494 313 L N -0.290 120.607 121.223 -0.543 0.000 2.424 313 L HA 0.734 5.072 4.340 -0.004 0.000 0.258 313 L C -1.078 175.439 176.870 -0.588 0.000 0.995 313 L CA -0.917 53.474 54.840 -0.749 0.000 0.821 313 L CB 2.018 43.398 42.059 -1.133 0.000 1.383 313 L HN 0.814 nan 8.230 nan 0.000 0.410 314 Q N 1.065 120.470 119.800 -0.659 0.000 2.375 314 Q HA 0.546 4.883 4.340 -0.004 0.000 0.271 314 Q C -2.195 173.515 176.000 -0.484 0.000 1.074 314 Q CA -0.559 54.991 55.803 -0.422 0.000 0.808 314 Q CB 2.333 30.909 28.738 -0.271 0.000 1.327 314 Q HN 0.735 nan 8.270 nan 0.000 0.441 315 W N 2.784 124.028 121.300 -0.092 0.000 2.706 315 W HA 0.643 5.301 4.660 -0.004 0.000 0.346 315 W C -1.039 175.501 176.519 0.034 0.000 1.071 315 W CA -0.715 56.628 57.345 -0.003 0.000 1.206 315 W CB 1.341 30.782 29.460 -0.032 0.000 1.413 315 W HN 0.459 nan 8.180 nan 0.000 0.542 316 L N 2.344 123.793 121.223 0.376 0.000 2.410 316 L HA 0.556 4.894 4.340 -0.004 0.000 0.270 316 L C -0.172 176.888 176.870 0.317 0.000 0.983 316 L CA -1.169 53.846 54.840 0.292 0.000 0.822 316 L CB 1.408 43.620 42.059 0.255 0.000 1.285 316 L HN 0.409 nan 8.230 nan 0.000 0.409 317 R N 2.464 123.115 120.500 0.250 0.000 2.694 317 R HA 0.196 4.534 4.340 -0.004 0.000 0.268 317 R C 1.052 177.412 176.300 0.101 0.000 1.061 317 R CA -0.040 56.159 56.100 0.166 0.000 1.133 317 R CB 0.570 30.960 30.300 0.150 0.000 1.020 317 R HN 0.659 nan 8.270 nan 0.000 0.475 318 R N 1.615 122.081 120.500 -0.056 0.000 2.127 318 R HA -0.082 4.255 4.340 -0.004 0.000 0.238 318 R C 0.401 176.741 176.300 0.066 0.000 1.134 318 R CA 1.161 57.188 56.100 -0.121 0.000 0.975 318 R CB 0.177 30.358 30.300 -0.198 0.000 0.865 318 R HN 0.396 nan 8.270 nan 0.000 0.447 319 I N 3.090 123.692 120.570 0.053 0.000 2.278 319 I HA 0.002 4.170 4.170 -0.004 0.000 0.296 319 I C 0.097 176.271 176.117 0.095 0.000 1.121 319 I CA 0.362 61.698 61.300 0.061 0.000 1.267 319 I CB 0.843 38.865 38.000 0.037 0.000 1.447 319 I HN 0.290 nan 8.210 nan 0.000 0.509 320 Q N 5.074 124.934 119.800 0.100 0.000 2.383 320 Q HA -0.062 4.275 4.340 -0.004 0.000 0.210 320 Q C 0.792 176.856 176.000 0.106 0.000 0.891 320 Q CA 0.106 55.974 55.803 0.110 0.000 0.985 320 Q CB -0.377 28.393 28.738 0.053 0.000 1.409 320 Q HN 0.599 nan 8.270 nan 0.000 0.391 321 N N -0.652 118.123 118.700 0.126 0.000 2.197 321 N HA -0.042 4.696 4.740 -0.004 0.000 0.228 321 N C -1.044 174.586 175.510 0.199 0.000 1.212 321 N CA -0.216 52.907 53.050 0.122 0.000 0.883 321 N CB 0.491 39.032 38.487 0.089 0.000 1.107 321 N HN 0.263 nan 8.380 nan 0.000 0.519 322 Y N 1.526 121.852 120.300 0.043 0.000 2.330 322 Y HA 0.414 4.961 4.550 -0.004 0.000 0.324 322 Y C -1.130 174.806 175.900 0.059 0.000 1.093 322 Y CA -0.768 57.356 58.100 0.040 0.000 1.103 322 Y CB 1.369 39.844 38.460 0.026 0.000 1.183 322 Y HN 0.145 nan 8.280 nan 0.000 0.433 323 S N 4.280 119.851 115.700 -0.215 0.000 2.532 323 S HA 0.912 5.380 4.470 -0.004 0.000 0.301 323 S C -1.650 172.797 174.600 -0.255 0.000 1.083 323 S CA -0.714 57.413 58.200 -0.121 0.000 1.025 323 S CB 2.063 65.229 63.200 -0.057 0.000 1.056 323 S HN 0.419 nan 8.310 nan 0.000 0.494 324 V N 3.604 123.471 119.914 -0.079 0.000 2.525 324 V HA 0.481 4.599 4.120 -0.004 0.000 0.299 324 V C -0.506 175.602 176.094 0.023 0.000 1.034 324 V CA -0.586 61.679 62.300 -0.060 0.000 0.863 324 V CB 1.654 33.478 31.823 0.001 0.000 0.999 324 V HN 1.040 nan 8.190 nan 0.000 0.423 325 M N 4.140 123.726 119.600 -0.024 0.000 2.149 325 M HA 0.542 5.020 4.480 -0.004 0.000 0.342 325 M C -1.351 174.947 176.300 -0.004 0.000 1.068 325 M CA -0.258 55.006 55.300 -0.060 0.000 0.991 325 M CB 1.182 33.689 32.600 -0.155 0.000 1.596 325 M HN 0.560 nan 8.290 nan 0.000 0.439 326 D N 5.314 125.699 120.400 -0.025 0.000 2.181 326 D HA 0.537 5.175 4.640 -0.004 0.000 0.248 326 D C -0.862 175.403 176.300 -0.058 0.000 1.020 326 D CA -0.029 53.965 54.000 -0.010 0.000 0.891 326 D CB 1.931 42.740 40.800 0.016 0.000 1.187 326 D HN 0.627 nan 8.370 nan 0.000 0.443 327 I N 2.155 122.725 120.570 -0.000 0.000 2.439 327 I HA 0.252 4.419 4.170 -0.004 0.000 0.283 327 I C -0.665 175.463 176.117 0.019 0.000 1.023 327 I CA -0.588 60.713 61.300 0.001 0.000 1.100 327 I CB 1.232 39.297 38.000 0.109 0.000 1.238 327 I HN 0.158 nan 8.210 nan 0.000 0.445 328 c N 3.766 122.364 118.600 -0.004 0.000 2.351 328 c HA 0.541 5.109 4.570 -0.004 0.000 0.326 328 c C -0.172 174.073 174.090 0.259 0.000 1.272 328 c CA -0.748 55.647 56.329 0.110 0.000 1.650 328 c CB 0.900 43.472 42.510 0.103 0.000 2.257 328 c HN 0.567 nan 8.230 nan 0.000 0.505 329 D N 0.359 120.895 120.400 0.227 0.000 2.198 329 D HA 0.307 4.945 4.640 -0.004 0.000 0.247 329 D C -0.626 175.650 176.300 -0.041 0.000 1.010 329 D CA -0.203 53.897 54.000 0.166 0.000 0.880 329 D CB 0.856 41.697 40.800 0.068 0.000 1.209 329 D HN 0.583 nan 8.370 nan 0.000 0.451 330 Y N 1.420 121.404 120.300 -0.526 0.000 2.377 330 Y HA 0.199 4.747 4.550 -0.004 0.000 0.330 330 Y C -0.148 175.468 175.900 -0.472 0.000 1.108 330 Y CA -0.325 57.118 58.100 -1.095 0.000 1.308 330 Y CB 0.759 38.483 38.460 -1.227 0.000 1.216 330 Y HN 0.141 nan 8.280 nan 0.000 0.518 331 D N 5.589 125.355 120.400 -1.055 0.000 2.467 331 D HA 0.047 4.685 4.640 -0.004 0.000 0.220 331 D C 0.744 176.470 176.300 -0.957 0.000 1.103 331 D CA -0.081 53.496 54.000 -0.705 0.000 0.886 331 D CB 0.513 41.054 40.800 -0.431 0.000 1.025 331 D HN 0.889 nan 8.370 nan 0.000 0.514 332 E N 1.873 121.660 120.200 -0.690 0.000 2.455 332 E HA -0.165 4.182 4.350 -0.004 0.000 0.202 332 E C 0.915 177.389 176.600 -0.210 0.000 1.045 332 E CA 0.810 56.979 56.400 -0.385 0.000 0.872 332 E CB 0.367 30.035 29.700 -0.054 0.000 0.792 332 E HN 0.408 nan 8.360 nan 0.000 0.542 333 S N -1.151 114.417 115.700 -0.221 0.000 2.502 333 S HA 0.020 4.488 4.470 -0.004 0.000 0.215 333 S C 1.613 176.143 174.600 -0.116 0.000 1.009 333 S CA 0.347 58.473 58.200 -0.122 0.000 0.908 333 S CB 0.594 63.737 63.200 -0.094 0.000 0.801 333 S HN 0.196 nan 8.310 nan 0.000 0.505 334 S N -0.495 115.097 115.700 -0.180 0.000 2.666 334 S HA 0.503 4.970 4.470 -0.004 0.000 0.239 334 S C 1.498 176.029 174.600 -0.114 0.000 1.031 334 S CA 0.443 58.570 58.200 -0.122 0.000 1.015 334 S CB -0.136 62.995 63.200 -0.115 0.000 0.981 334 S HN 1.384 nan 8.310 nan 0.000 0.547 335 G N 2.262 110.935 108.800 -0.212 0.000 2.212 335 G HA2 -0.267 3.690 3.960 -0.004 0.000 0.267 335 G HA3 -0.267 3.690 3.960 -0.004 0.000 0.267 335 G C 0.168 175.065 174.900 -0.005 0.000 1.002 335 G CA 0.518 45.594 45.100 -0.040 0.000 0.729 335 G HN 0.538 nan 8.290 nan 0.000 0.517 336 R N -1.677 118.698 120.500 -0.209 0.000 2.797 336 R HA 0.677 5.015 4.340 -0.004 0.000 0.251 336 R C -0.686 175.467 176.300 -0.244 0.000 1.107 336 R CA -0.987 55.072 56.100 -0.067 0.000 1.084 336 R CB 0.537 30.825 30.300 -0.020 0.000 1.205 336 R HN 0.195 nan 8.270 nan 0.000 0.515 337 W N 0.325 121.638 121.300 0.021 0.000 2.532 337 W HA 0.414 5.072 4.660 -0.004 0.000 0.321 337 W C -0.357 176.149 176.519 -0.021 0.000 1.037 337 W CA -0.393 56.958 57.345 0.011 0.000 1.220 337 W CB 1.094 30.561 29.460 0.011 0.000 1.361 337 W HN 0.390 nan 8.180 nan 0.000 0.468 338 N N 2.098 120.883 118.700 0.142 0.000 2.342 338 N HA 0.554 5.292 4.740 -0.004 0.000 0.293 338 N C -1.521 174.038 175.510 0.081 0.000 1.026 338 N CA -0.682 52.413 53.050 0.075 0.000 0.857 338 N CB 1.309 39.799 38.487 0.006 0.000 1.256 338 N HN 0.194 nan 8.380 nan 0.000 0.484 339 c N 2.905 121.537 118.600 0.054 0.000 2.250 339 c HA 0.365 4.933 4.570 -0.004 0.000 0.319 339 c C 0.408 174.507 174.090 0.017 0.000 1.124 339 c CA -1.118 55.233 56.329 0.038 0.000 1.527 339 c CB -1.304 41.220 42.510 0.024 0.000 2.001 339 c HN 0.614 nan 8.230 nan 0.000 0.435 340 L N 2.641 123.876 121.223 0.020 0.000 2.513 340 L HA 0.024 4.362 4.340 -0.004 0.000 0.272 340 L C 1.663 178.530 176.870 -0.006 0.000 1.187 340 L CA 0.259 55.102 54.840 0.006 0.000 0.895 340 L CB 0.580 42.647 42.059 0.013 0.000 1.147 340 L HN 0.665 nan 8.230 nan 0.000 0.483 341 V N 4.524 124.427 119.914 -0.020 0.000 2.568 341 V HA -0.279 3.839 4.120 -0.004 0.000 0.253 341 V C 2.235 178.297 176.094 -0.053 0.000 1.072 341 V CA 2.182 64.462 62.300 -0.035 0.000 1.084 341 V CB -0.041 31.761 31.823 -0.034 0.000 0.676 341 V HN 0.990 nan 8.190 nan 0.000 0.469 342 A N -0.235 122.560 122.820 -0.041 0.000 2.172 342 A HA -0.052 4.265 4.320 -0.004 0.000 0.216 342 A C 2.120 179.659 177.584 -0.074 0.000 1.154 342 A CA 1.220 53.225 52.037 -0.054 0.000 0.701 342 A CB -0.388 18.595 19.000 -0.027 0.000 0.789 342 A HN 0.642 nan 8.150 nan 0.000 0.465 343 R N -0.878 119.596 120.500 -0.044 0.000 2.509 343 R HA 0.167 4.505 4.340 -0.004 0.000 0.300 343 R C 0.395 176.680 176.300 -0.024 0.000 0.985 343 R CA -0.161 55.947 56.100 0.014 0.000 1.092 343 R CB 0.272 30.637 30.300 0.108 0.000 1.237 343 R HN 0.587 nan 8.270 nan 0.000 0.546 344 Q N 0.832 120.547 119.800 -0.143 0.000 2.267 344 Q HA 0.134 4.472 4.340 -0.004 0.000 0.255 344 Q C -1.153 174.668 176.000 -0.300 0.000 0.923 344 Q CA -0.282 55.459 55.803 -0.103 0.000 0.925 344 Q CB 0.751 29.447 28.738 -0.071 0.000 1.195 344 Q HN 0.221 nan 8.270 nan 0.000 0.417 345 H N 2.781 121.834 119.070 -0.028 0.000 2.529 345 H HA 0.486 5.039 4.556 -0.004 0.000 0.348 345 H C -0.805 174.473 175.328 -0.083 0.000 1.079 345 H CA -0.436 55.597 56.048 -0.025 0.000 1.198 345 H CB 1.302 31.046 29.762 -0.030 0.000 1.521 345 H HN 0.520 nan 8.280 nan 0.000 0.514 346 I N 1.943 122.515 120.570 0.003 0.000 2.603 346 I HA 0.331 4.499 4.170 -0.004 0.000 0.300 346 I C -0.240 175.817 176.117 -0.100 0.000 1.017 346 I CA -0.573 60.642 61.300 -0.142 0.000 1.098 346 I CB 1.959 39.832 38.000 -0.212 0.000 1.279 346 I HN 0.509 nan 8.210 nan 0.000 0.437 347 E N 5.815 125.901 120.200 -0.190 0.000 2.266 347 E HA 0.646 4.993 4.350 -0.004 0.000 0.268 347 E C -1.332 175.200 176.600 -0.113 0.000 0.879 347 E CA -0.803 55.545 56.400 -0.087 0.000 0.762 347 E CB 2.811 32.489 29.700 -0.037 0.000 1.199 347 E HN 0.426 nan 8.360 nan 0.000 0.422 348 M N 1.421 121.016 119.600 -0.007 0.000 2.518 348 M HA 0.289 4.766 4.480 -0.004 0.000 0.300 348 M C -0.285 176.044 176.300 0.048 0.000 1.175 348 M CA -0.974 54.364 55.300 0.064 0.000 0.890 348 M CB 2.300 34.971 32.600 0.118 0.000 1.710 348 M HN 0.507 nan 8.290 nan 0.000 0.453 349 S N 0.556 116.287 115.700 0.052 0.000 2.576 349 S HA 0.431 4.899 4.470 -0.004 0.000 0.276 349 S C 0.495 175.092 174.600 -0.005 0.000 1.339 349 S CA 0.194 58.396 58.200 0.003 0.000 1.039 349 S CB 0.949 64.144 63.200 -0.008 0.000 0.902 349 S HN 0.850 nan 8.310 nan 0.000 0.516 350 T N -0.949 113.587 114.554 -0.031 0.000 3.556 350 T HA 0.140 4.488 4.350 -0.004 0.000 0.204 350 T C 1.645 176.319 174.700 -0.044 0.000 0.896 350 T CA 0.670 62.758 62.100 -0.020 0.000 1.380 350 T CB -1.290 67.573 68.868 -0.008 0.000 1.584 350 T HN 0.785 nan 8.240 nan 0.000 0.411 351 T N -0.856 113.678 114.554 -0.033 0.000 3.129 351 T HA 0.586 4.934 4.350 -0.004 0.000 0.251 351 T C 1.036 175.583 174.700 -0.255 0.000 1.117 351 T CA 0.346 62.425 62.100 -0.035 0.000 1.034 351 T CB -0.020 68.886 68.868 0.063 0.000 0.968 351 T HN 0.851 nan 8.240 nan 0.000 0.526 352 G N 0.396 108.831 108.800 -0.608 0.000 3.046 352 G HA2 0.489 4.447 3.960 -0.004 0.000 0.137 352 G HA3 0.489 4.447 3.960 -0.004 0.000 0.137 352 G C -1.415 173.147 174.900 -0.563 0.000 1.207 352 G CA -0.520 43.954 45.100 -1.043 0.000 1.218 352 G HN 0.479 nan 8.290 nan 0.000 0.625 353 W N -0.233 120.755 121.300 -0.520 0.000 2.380 353 W HA 0.773 5.430 4.660 -0.004 0.000 0.441 353 W C -0.479 175.979 176.519 -0.101 0.000 1.762 353 W CA -1.259 55.946 57.345 -0.235 0.000 1.905 353 W CB 0.468 29.776 29.460 -0.254 0.000 1.624 353 W HN 0.266 nan 8.180 nan 0.000 0.717 354 V N 2.722 122.735 119.914 0.164 0.000 2.370 354 V HA 0.686 4.804 4.120 -0.004 0.000 0.279 354 V C 0.705 176.894 176.094 0.158 0.000 1.029 354 V CA 0.257 62.609 62.300 0.087 0.000 0.870 354 V CB -0.080 31.788 31.823 0.074 0.000 0.984 354 V HN 1.268 nan 8.190 nan 0.000 0.451 355 G N 5.400 114.248 108.800 0.080 0.000 2.796 355 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.571 355 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.571 355 G C 0.356 175.358 174.900 0.170 0.000 1.370 355 G CA 0.247 45.413 45.100 0.110 0.000 0.856 355 G HN 0.622 nan 8.290 nan 0.000 0.538 356 R N -1.104 119.480 120.500 0.141 0.000 2.055 356 R HA 0.181 4.519 4.340 -0.004 0.000 0.228 356 R C 1.930 178.194 176.300 -0.061 0.000 1.143 356 R CA 2.043 58.179 56.100 0.060 0.000 0.945 356 R CB -0.097 30.230 30.300 0.045 0.000 0.841 356 R HN 0.436 nan 8.270 nan 0.000 0.429 357 F N -0.594 119.496 119.950 0.234 0.000 2.817 357 F HA 0.270 4.795 4.527 -0.004 0.000 0.333 357 F C -0.001 175.831 175.800 0.055 0.000 1.085 357 F CA -0.425 57.661 58.000 0.143 0.000 1.170 357 F CB 0.782 39.872 39.000 0.150 0.000 1.066 357 F HN -0.071 nan 8.300 nan 0.000 0.564 358 R N -1.866 118.761 120.500 0.212 0.000 2.828 358 R HA 0.410 4.748 4.340 -0.004 0.000 0.280 358 R C -3.380 172.979 176.300 0.098 0.000 1.020 358 R CA -1.842 54.319 56.100 0.102 0.000 0.855 358 R CB -0.062 30.273 30.300 0.059 0.000 1.278 358 R HN -0.355 nan 8.270 nan 0.000 0.495 359 P HA 0.013 nan 4.420 nan 0.000 0.266 359 P C -0.423 176.902 177.300 0.041 0.000 1.195 359 P CA -0.079 63.044 63.100 0.037 0.000 0.768 359 P CB 0.703 32.400 31.700 -0.005 0.000 0.838 360 S N 1.907 117.640 115.700 0.055 0.000 2.572 360 S HA 0.109 4.577 4.470 -0.004 0.000 0.279 360 S C 0.304 174.920 174.600 0.026 0.000 1.341 360 S CA -0.714 57.534 58.200 0.079 0.000 1.043 360 S CB 0.219 63.487 63.200 0.113 0.000 0.887 360 S HN 0.458 nan 8.310 nan 0.000 0.516 361 E N 1.970 122.202 120.200 0.052 0.000 2.366 361 E HA 0.368 4.715 4.350 -0.004 0.000 0.266 361 E C -2.695 173.848 176.600 -0.095 0.000 1.051 361 E CA -2.347 54.025 56.400 -0.045 0.000 0.884 361 E CB -0.239 29.440 29.700 -0.034 0.000 1.006 361 E HN 0.454 nan 8.360 nan 0.000 0.417 362 P HA 0.252 nan 4.420 nan 0.000 0.286 362 P C -0.779 176.308 177.300 -0.356 0.000 1.261 362 P CA -0.404 62.492 63.100 -0.340 0.000 0.821 362 P CB 0.911 32.112 31.700 -0.831 0.000 1.013 363 H N 2.380 121.471 119.070 0.036 0.000 2.792 363 H HA 0.294 4.847 4.556 -0.004 0.000 0.298 363 H C -0.384 175.095 175.328 0.252 0.000 1.042 363 H CA -0.335 55.831 56.048 0.197 0.000 1.300 363 H CB 0.288 30.185 29.762 0.225 0.000 1.431 363 H HN 0.309 nan 8.280 nan 0.000 0.496 364 F N 1.998 122.132 119.950 0.306 0.000 2.412 364 F HA 0.055 4.579 4.527 -0.004 0.000 0.348 364 F C 1.662 177.660 175.800 0.329 0.000 1.102 364 F CA -0.397 57.795 58.000 0.321 0.000 1.196 364 F CB 1.043 40.162 39.000 0.198 0.000 1.144 364 F HN 0.369 nan 8.300 nan 0.000 0.541 365 T N 1.225 116.091 114.554 0.521 0.000 2.813 365 T HA 0.092 4.439 4.350 -0.004 0.000 0.297 365 T C 1.191 176.095 174.700 0.340 0.000 1.036 365 T CA -0.769 61.578 62.100 0.412 0.000 1.044 365 T CB 0.759 69.856 68.868 0.381 0.000 0.993 365 T HN 0.613 nan 8.240 nan 0.000 0.535 366 L N 1.518 122.891 121.223 0.250 0.000 1.997 366 L HA -0.129 4.209 4.340 -0.004 0.000 0.216 366 L C 2.163 179.142 176.870 0.183 0.000 1.074 366 L CA 2.716 57.673 54.840 0.195 0.000 0.763 366 L CB -1.160 40.987 42.059 0.148 0.000 0.890 366 L HN 0.974 nan 8.230 nan 0.000 0.434 367 D N -0.975 119.532 120.400 0.179 0.000 2.392 367 D HA 0.033 4.671 4.640 -0.004 0.000 0.228 367 D C 1.608 178.016 176.300 0.179 0.000 1.003 367 D CA 0.770 54.865 54.000 0.158 0.000 0.917 367 D CB -0.803 40.080 40.800 0.138 0.000 0.890 367 D HN 0.537 nan 8.370 nan 0.000 0.532 368 G N 0.524 109.467 108.800 0.239 0.000 2.187 368 G HA2 -0.361 3.597 3.960 -0.004 0.000 0.261 368 G HA3 -0.361 3.597 3.960 -0.004 0.000 0.261 368 G C 0.830 175.924 174.900 0.324 0.000 1.000 368 G CA 0.438 45.700 45.100 0.269 0.000 0.718 368 G HN 0.417 nan 8.290 nan 0.000 0.519 369 N N 0.053 118.918 118.700 0.274 0.000 2.280 369 N HA 0.226 4.963 4.740 -0.004 0.000 0.192 369 N C 0.702 176.312 175.510 0.167 0.000 1.109 369 N CA 1.015 54.191 53.050 0.211 0.000 0.855 369 N CB 0.606 39.177 38.487 0.139 0.000 0.974 369 N HN 0.917 nan 8.380 nan 0.000 0.482 370 S N -0.446 115.380 115.700 0.210 0.000 2.588 370 S HA 0.730 5.198 4.470 -0.004 0.000 0.269 370 S C -1.027 173.590 174.600 0.029 0.000 1.157 370 S CA -1.013 57.153 58.200 -0.056 0.000 0.824 370 S CB 1.586 64.653 63.200 -0.221 0.000 1.126 370 S HN 0.111 nan 8.310 nan 0.000 0.464 371 F N -1.681 118.052 119.950 -0.361 0.000 2.711 371 F HA 0.872 5.397 4.527 -0.004 0.000 0.313 371 F C -2.252 173.365 175.800 -0.306 0.000 1.141 371 F CA -1.542 56.218 58.000 -0.401 0.000 0.941 371 F CB 0.585 38.935 39.000 -1.083 0.000 1.349 371 F HN 0.606 nan 8.300 nan 0.000 0.464 372 Y N 0.768 121.229 120.300 0.269 0.000 2.446 372 Y HA 0.739 5.286 4.550 -0.004 0.000 0.345 372 Y C -0.346 175.748 175.900 0.323 0.000 0.984 372 Y CA -1.074 57.187 58.100 0.268 0.000 1.058 372 Y CB 2.304 40.878 38.460 0.189 0.000 1.220 372 Y HN 0.500 nan 8.280 nan 0.000 0.455 373 K N 2.523 123.182 120.400 0.431 0.000 2.469 373 K HA 0.565 4.882 4.320 -0.004 0.000 0.254 373 K C -1.393 175.364 176.600 0.261 0.000 0.939 373 K CA -0.813 55.667 56.287 0.322 0.000 0.812 373 K CB 2.645 35.281 32.500 0.228 0.000 1.301 373 K HN 0.582 nan 8.250 nan 0.000 0.433 374 I N 3.402 124.093 120.570 0.203 0.000 2.371 374 I HA 0.271 4.438 4.170 -0.004 0.000 0.290 374 I C -0.388 175.830 176.117 0.169 0.000 1.028 374 I CA -0.226 61.168 61.300 0.157 0.000 1.345 374 I CB 0.517 38.587 38.000 0.117 0.000 1.407 374 I HN 0.367 nan 8.210 nan 0.000 0.501 375 I N 4.930 125.632 120.570 0.219 0.000 2.722 375 I HA 0.166 4.333 4.170 -0.004 0.000 0.295 375 I C -0.063 176.206 176.117 0.253 0.000 1.161 375 I CA -0.312 61.125 61.300 0.228 0.000 1.032 375 I CB 2.449 40.592 38.000 0.238 0.000 1.244 375 I HN 0.557 nan 8.210 nan 0.000 0.421 376 S N 4.107 119.874 115.700 0.112 0.000 2.528 376 S HA 0.321 4.789 4.470 -0.004 0.000 0.277 376 S C -0.078 174.547 174.600 0.042 0.000 1.297 376 S CA -0.693 57.508 58.200 0.003 0.000 1.052 376 S CB 0.458 63.587 63.200 -0.119 0.000 0.917 376 S HN 0.636 nan 8.310 nan 0.000 0.492 377 N N 2.532 121.133 118.700 -0.164 0.000 2.332 377 N HA 0.142 4.880 4.740 -0.004 0.000 0.282 377 N C 0.636 176.039 175.510 -0.178 0.000 1.288 377 N CA -0.436 52.376 53.050 -0.396 0.000 0.949 377 N CB -0.325 37.591 38.487 -0.951 0.000 1.108 377 N HN 0.743 nan 8.380 nan 0.000 0.542 378 E N -0.762 119.330 120.200 -0.180 0.000 2.268 378 E HA -0.141 4.207 4.350 -0.004 0.000 0.195 378 E C 0.771 177.316 176.600 -0.092 0.000 0.995 378 E CA 0.973 57.316 56.400 -0.095 0.000 0.836 378 E CB -0.147 29.508 29.700 -0.076 0.000 0.763 378 E HN 0.639 nan 8.360 nan 0.000 0.491 379 E N -0.561 119.582 120.200 -0.096 0.000 2.478 379 E HA 0.043 4.391 4.350 -0.004 0.000 0.194 379 E C 0.983 177.532 176.600 -0.084 0.000 1.045 379 E CA 0.307 56.692 56.400 -0.026 0.000 0.868 379 E CB 0.552 30.296 29.700 0.073 0.000 0.885 379 E HN 0.343 nan 8.360 nan 0.000 0.505 380 G N 0.747 109.444 108.800 -0.171 0.000 2.157 380 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.239 380 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.239 380 G C -0.403 174.177 174.900 -0.534 0.000 0.982 380 G CA -0.261 44.632 45.100 -0.345 0.000 0.650 380 G HN 0.212 nan 8.290 nan 0.000 0.527 381 Y N 0.620 120.791 120.300 -0.216 0.000 2.330 381 Y HA 0.633 5.181 4.550 -0.004 0.000 0.336 381 Y C 1.164 176.895 175.900 -0.282 0.000 1.036 381 Y CA -0.909 57.041 58.100 -0.251 0.000 1.125 381 Y CB 1.010 39.327 38.460 -0.238 0.000 1.194 381 Y HN 0.077 nan 8.280 nan 0.000 0.469 382 R N 3.861 124.220 120.500 -0.235 0.000 2.296 382 R HA 0.257 4.595 4.340 -0.004 0.000 0.323 382 R C -0.762 175.256 176.300 -0.471 0.000 1.067 382 R CA -0.044 55.928 56.100 -0.213 0.000 0.946 382 R CB 0.110 30.337 30.300 -0.122 0.000 0.991 382 R HN 0.658 nan 8.270 nan 0.000 0.448 383 H N 1.684 120.724 119.070 -0.051 0.000 2.946 383 H HA 0.321 4.875 4.556 -0.004 0.000 0.365 383 H C -0.033 175.360 175.328 0.109 0.000 1.197 383 H CA -0.979 55.017 56.048 -0.087 0.000 1.131 383 H CB 1.667 31.276 29.762 -0.255 0.000 1.849 383 H HN 0.324 nan 8.280 nan 0.000 0.555 384 I N 1.283 121.930 120.570 0.128 0.000 2.533 384 I HA -0.003 4.165 4.170 -0.004 0.000 0.284 384 I C 0.366 176.547 176.117 0.108 0.000 1.109 384 I CA 0.312 61.665 61.300 0.088 0.000 1.412 384 I CB 0.268 38.230 38.000 -0.064 0.000 1.396 384 I HN 0.155 nan 8.210 nan 0.000 0.543 385 c N 7.360 125.968 118.600 0.014 0.000 2.379 385 c HA 0.408 4.976 4.570 -0.004 0.000 0.323 385 c C -0.441 173.549 174.090 -0.167 0.000 1.262 385 c CA -0.538 55.579 56.329 -0.354 0.000 1.581 385 c CB 0.799 42.818 42.510 -0.818 0.000 2.221 385 c HN 0.635 nan 8.230 nan 0.000 0.497 386 Y N 5.081 125.098 120.300 -0.472 0.000 2.341 386 Y HA 0.643 5.190 4.550 -0.004 0.000 0.340 386 Y C -0.959 174.526 175.900 -0.691 0.000 0.997 386 Y CA -0.849 56.907 58.100 -0.572 0.000 1.149 386 Y CB 0.230 38.428 38.460 -0.438 0.000 1.171 386 Y HN 0.636 nan 8.280 nan 0.000 0.494 387 F N 3.907 123.122 119.950 -1.225 0.000 2.480 387 F HA 0.422 4.947 4.527 -0.004 0.000 0.329 387 F C -0.052 174.987 175.800 -1.269 0.000 1.091 387 F CA -1.030 56.213 58.000 -1.261 0.000 0.972 387 F CB 1.541 39.455 39.000 -1.811 0.000 1.150 387 F HN 0.294 nan 8.300 nan 0.000 0.467 388 Q N 2.329 121.785 119.800 -0.573 0.000 2.241 388 Q HA 0.324 4.661 4.340 -0.004 0.000 0.254 388 Q C 0.959 176.902 176.000 -0.095 0.000 0.917 388 Q CA -0.234 55.356 55.803 -0.354 0.000 0.919 388 Q CB 1.432 30.033 28.738 -0.227 0.000 1.237 388 Q HN 0.702 nan 8.270 nan 0.000 0.434 389 I N -0.522 120.078 120.570 0.051 0.000 2.423 389 I HA -0.151 4.017 4.170 -0.004 0.000 0.254 389 I C 0.419 176.739 176.117 0.338 0.000 1.151 389 I CA 1.529 63.016 61.300 0.311 0.000 1.421 389 I CB -0.083 38.124 38.000 0.346 0.000 1.079 389 I HN 0.448 nan 8.210 nan 0.000 0.431 390 D N 0.626 121.119 120.400 0.155 0.000 2.501 390 D HA 0.207 4.845 4.640 -0.004 0.000 0.226 390 D C -0.087 176.226 176.300 0.022 0.000 1.198 390 D CA -0.311 53.733 54.000 0.074 0.000 0.830 390 D CB -0.004 40.822 40.800 0.045 0.000 1.014 390 D HN 0.390 nan 8.370 nan 0.000 0.496 391 K N 0.389 120.822 120.400 0.055 0.000 2.397 391 K HA 0.294 4.611 4.320 -0.004 0.000 0.253 391 K C 0.501 177.133 176.600 0.055 0.000 0.932 391 K CA -0.874 55.415 56.287 0.002 0.000 0.795 391 K CB 2.159 34.630 32.500 -0.049 0.000 1.159 391 K HN -0.324 nan 8.250 nan 0.000 0.424 392 K N 0.638 121.033 120.400 -0.008 0.000 2.228 392 K HA 0.019 4.336 4.320 -0.004 0.000 0.202 392 K C -0.066 176.564 176.600 0.049 0.000 1.051 392 K CA 1.042 57.352 56.287 0.039 0.000 0.960 392 K CB 0.069 32.553 32.500 -0.026 0.000 0.743 392 K HN 0.569 nan 8.250 nan 0.000 0.458 393 D N 1.364 121.723 120.400 -0.070 0.000 2.277 393 D HA 0.065 4.703 4.640 -0.004 0.000 0.249 393 D C 0.432 176.502 176.300 -0.383 0.000 1.134 393 D CA -0.242 53.649 54.000 -0.181 0.000 0.863 393 D CB 1.093 41.811 40.800 -0.137 0.000 1.143 393 D HN 0.152 nan 8.370 nan 0.000 0.458 394 c N 0.913 119.099 118.600 -0.690 0.000 2.328 394 c HA 0.772 5.339 4.570 -0.004 0.000 0.378 394 c C 0.394 174.067 174.090 -0.695 0.000 1.249 394 c CA -0.566 55.126 56.329 -1.062 0.000 2.204 394 c CB 0.913 42.098 42.510 -2.208 0.000 2.218 394 c HN 0.466 nan 8.230 nan 0.000 0.564 395 T N 1.699 115.899 114.554 -0.589 0.000 2.786 395 T HA 0.465 4.813 4.350 -0.004 0.000 0.283 395 T C -0.716 173.789 174.700 -0.325 0.000 0.992 395 T CA 0.148 62.062 62.100 -0.311 0.000 0.954 395 T CB 0.305 69.132 68.868 -0.069 0.000 0.934 395 T HN 0.473 nan 8.240 nan 0.000 0.440 396 F N 3.497 123.345 119.950 -0.169 0.000 2.504 396 F HA 0.244 4.769 4.527 -0.004 0.000 0.369 396 F C 1.639 177.297 175.800 -0.236 0.000 1.082 396 F CA -0.823 57.066 58.000 -0.185 0.000 1.216 396 F CB 0.406 39.294 39.000 -0.187 0.000 1.108 396 F HN 0.576 nan 8.300 nan 0.000 0.554 397 I N -0.605 119.875 120.570 -0.150 0.000 4.057 397 I HA 0.232 4.400 4.170 -0.004 0.000 0.334 397 I C 0.184 176.129 176.117 -0.287 0.000 1.308 397 I CA 0.092 61.097 61.300 -0.491 0.000 1.125 397 I CB 0.029 37.425 38.000 -1.006 0.000 1.034 397 I HN 0.486 nan 8.210 nan 0.000 0.401 398 T N 0.190 114.641 114.554 -0.172 0.000 2.906 398 T HA 0.721 5.068 4.350 -0.004 0.000 0.295 398 T C -0.697 173.647 174.700 -0.593 0.000 1.075 398 T CA -0.688 61.292 62.100 -0.200 0.000 1.005 398 T CB 2.692 71.517 68.868 -0.072 0.000 1.136 398 T HN 0.493 nan 8.240 nan 0.000 0.498 399 K N -0.373 119.485 120.400 -0.904 0.000 2.642 399 K HA 0.754 5.072 4.320 -0.004 0.000 0.290 399 K C -0.596 175.349 176.600 -1.092 0.000 1.006 399 K CA -0.914 54.501 56.287 -1.454 0.000 0.869 399 K CB 1.297 33.364 32.500 -0.722 0.000 1.499 399 K HN 1.595 nan 8.250 nan 0.000 0.403 400 G N 0.020 108.216 108.800 -1.007 0.000 2.347 400 G HA2 0.133 4.091 3.960 -0.004 0.000 0.321 400 G HA3 0.133 4.091 3.960 -0.004 0.000 0.321 400 G C -0.936 173.436 174.900 -0.880 0.000 1.412 400 G CA -0.381 44.306 45.100 -0.688 0.000 0.990 400 G HN 1.006 nan 8.290 nan 0.000 0.637 401 T N -0.190 113.992 114.554 -0.620 0.000 3.945 401 T HA 0.581 4.929 4.350 -0.004 0.000 0.306 401 T C 0.156 174.574 174.700 -0.469 0.000 1.475 401 T CA 0.484 61.970 62.100 -1.023 0.000 1.177 401 T CB -0.922 67.601 68.868 -0.576 0.000 1.272 401 T HN 1.635 nan 8.240 nan 0.000 0.930 402 W N -0.105 120.944 121.300 -0.418 0.000 2.929 402 W HA 0.550 5.207 4.660 -0.004 0.000 0.363 402 W C -1.709 174.789 176.519 -0.035 0.000 1.168 402 W CA -0.922 56.375 57.345 -0.079 0.000 1.163 402 W CB 0.478 29.891 29.460 -0.079 0.000 1.455 402 W HN 0.271 nan 8.180 nan 0.000 0.568 403 E N 0.774 121.167 120.200 0.322 0.000 2.343 403 E HA 0.477 4.825 4.350 -0.004 0.000 0.270 403 E C -1.152 175.566 176.600 0.197 0.000 0.895 403 E CA -1.195 55.201 56.400 -0.006 0.000 0.767 403 E CB 3.382 33.108 29.700 0.044 0.000 1.248 403 E HN 0.171 nan 8.360 nan 0.000 0.440 404 V N 3.477 123.374 119.914 -0.028 0.000 2.530 404 V HA 0.017 4.135 4.120 -0.004 0.000 0.282 404 V C 1.105 177.279 176.094 0.132 0.000 1.048 404 V CA 0.020 62.387 62.300 0.111 0.000 0.997 404 V CB 0.698 32.476 31.823 -0.076 0.000 0.987 404 V HN 0.684 nan 8.190 nan 0.000 0.477 405 I N 3.066 123.741 120.570 0.176 0.000 2.494 405 I HA 0.279 4.446 4.170 -0.004 0.000 0.250 405 I C 1.092 177.311 176.117 0.170 0.000 1.112 405 I CA 1.145 62.538 61.300 0.155 0.000 1.438 405 I CB -0.613 37.419 38.000 0.053 0.000 1.111 405 I HN 0.742 nan 8.210 nan 0.000 0.431 406 G N 0.672 109.574 108.800 0.170 0.000 2.632 406 G HA2 0.558 4.516 3.960 -0.004 0.000 0.292 406 G HA3 0.558 4.516 3.960 -0.004 0.000 0.292 406 G C -1.364 173.613 174.900 0.129 0.000 1.465 406 G CA -0.516 44.678 45.100 0.156 0.000 0.824 406 G HN -0.052 nan 8.290 nan 0.000 0.509 407 I N 1.423 121.994 120.570 0.002 0.000 2.331 407 I HA 0.281 4.449 4.170 -0.004 0.000 0.292 407 I C 0.606 176.683 176.117 -0.067 0.000 0.998 407 I CA -0.634 60.579 61.300 -0.145 0.000 1.267 407 I CB 1.904 39.507 38.000 -0.662 0.000 1.386 407 I HN 0.492 nan 8.210 nan 0.000 0.476 408 E N 4.815 125.036 120.200 0.035 0.000 2.290 408 E HA 0.336 4.683 4.350 -0.004 0.000 0.197 408 E C 0.148 176.710 176.600 -0.063 0.000 0.948 408 E CA 0.223 56.674 56.400 0.086 0.000 0.895 408 E CB 0.784 30.620 29.700 0.228 0.000 0.865 408 E HN 0.671 nan 8.360 nan 0.000 0.486 409 A N 0.447 123.149 122.820 -0.197 0.000 2.608 409 A HA 0.616 4.934 4.320 -0.004 0.000 0.292 409 A C -2.030 175.483 177.584 -0.120 0.000 1.066 409 A CA -0.659 51.180 52.037 -0.331 0.000 0.676 409 A CB 1.200 19.529 19.000 -1.118 0.000 1.277 409 A HN 0.038 nan 8.150 nan 0.000 0.413 410 L N 1.200 122.387 121.223 -0.060 0.000 2.476 410 L HA 0.781 5.119 4.340 -0.004 0.000 0.269 410 L C 0.059 176.956 176.870 0.045 0.000 0.965 410 L CA 0.528 55.370 54.840 0.005 0.000 0.845 410 L CB 2.041 44.125 42.059 0.042 0.000 1.259 410 L HN 1.262 nan 8.230 nan 0.000 0.403 411 T N -0.228 114.373 114.554 0.078 0.000 2.905 411 T HA 0.436 4.784 4.350 -0.004 0.000 0.283 411 T C 1.084 175.826 174.700 0.070 0.000 1.031 411 T CA 0.050 62.205 62.100 0.091 0.000 1.002 411 T CB 1.201 70.159 68.868 0.150 0.000 1.200 411 T HN 0.661 nan 8.240 nan 0.000 0.560 412 S N -0.194 115.545 115.700 0.064 0.000 2.419 412 S HA -0.101 4.366 4.470 -0.004 0.000 0.233 412 S C 0.917 175.500 174.600 -0.028 0.000 1.016 412 S CA 1.168 59.391 58.200 0.039 0.000 0.974 412 S CB -0.541 62.683 63.200 0.041 0.000 0.786 412 S HN 0.736 nan 8.310 nan 0.000 0.492 413 D N -0.719 119.643 120.400 -0.064 0.000 2.423 413 D HA 0.275 4.913 4.640 -0.004 0.000 0.212 413 D C -0.513 175.426 176.300 -0.603 0.000 1.060 413 D CA 0.452 54.271 54.000 -0.302 0.000 0.872 413 D CB 0.296 40.905 40.800 -0.318 0.000 1.012 413 D HN 0.449 nan 8.370 nan 0.000 0.503 414 Y N -0.129 120.115 120.300 -0.094 0.000 2.553 414 Y HA 0.466 5.014 4.550 -0.004 0.000 0.347 414 Y C -0.636 175.095 175.900 -0.283 0.000 1.019 414 Y CA -1.059 56.895 58.100 -0.243 0.000 1.032 414 Y CB 2.537 40.724 38.460 -0.454 0.000 1.284 414 Y HN -0.286 nan 8.280 nan 0.000 0.466 415 L N 2.838 123.953 121.223 -0.180 0.000 2.341 415 L HA 0.627 4.965 4.340 -0.004 0.000 0.278 415 L C -1.885 174.867 176.870 -0.196 0.000 1.005 415 L CA -0.634 54.089 54.840 -0.196 0.000 0.818 415 L CB 0.969 42.823 42.059 -0.342 0.000 1.259 415 L HN 0.616 nan 8.230 nan 0.000 0.418 416 Y N 4.783 125.015 120.300 -0.113 0.000 2.341 416 Y HA 0.551 5.099 4.550 -0.004 0.000 0.337 416 Y C -0.475 175.431 175.900 0.009 0.000 1.014 416 Y CA -0.422 57.612 58.100 -0.110 0.000 1.111 416 Y CB 1.362 39.678 38.460 -0.241 0.000 1.194 416 Y HN 0.534 nan 8.280 nan 0.000 0.462 417 Y N 0.819 121.184 120.300 0.108 0.000 2.615 417 Y HA 0.798 5.346 4.550 -0.004 0.000 0.341 417 Y C -1.767 174.215 175.900 0.137 0.000 1.089 417 Y CA -1.830 56.319 58.100 0.082 0.000 1.049 417 Y CB 1.151 39.630 38.460 0.032 0.000 1.296 417 Y HN 0.289 nan 8.280 nan 0.000 0.470 418 I N 3.052 123.788 120.570 0.277 0.000 2.412 418 I HA 0.619 4.787 4.170 -0.004 0.000 0.296 418 I C -0.108 176.186 176.117 0.296 0.000 0.987 418 I CA -0.306 61.102 61.300 0.180 0.000 1.180 418 I CB 1.550 39.605 38.000 0.092 0.000 1.340 418 I HN 0.904 nan 8.210 nan 0.000 0.455 419 S N 3.733 119.575 115.700 0.236 0.000 2.671 419 S HA 0.449 4.917 4.470 -0.004 0.000 0.277 419 S C -0.450 174.192 174.600 0.070 0.000 1.165 419 S CA -0.800 57.520 58.200 0.200 0.000 0.822 419 S CB 1.906 65.251 63.200 0.242 0.000 1.150 419 S HN 0.592 nan 8.310 nan 0.000 0.479 420 N N -0.299 118.437 118.700 0.059 0.000 2.380 420 N HA 0.160 4.898 4.740 -0.004 0.000 0.255 420 N C 0.529 175.992 175.510 -0.078 0.000 1.158 420 N CA -0.284 52.758 53.050 -0.012 0.000 0.878 420 N CB 0.308 38.781 38.487 -0.024 0.000 1.138 420 N HN 0.815 nan 8.380 nan 0.000 0.509 421 E N -0.058 119.929 120.200 -0.355 0.000 2.072 421 E HA -0.206 4.142 4.350 -0.004 0.000 0.191 421 E C -0.339 176.076 176.600 -0.308 0.000 0.985 421 E CA 0.290 56.207 56.400 -0.805 0.000 0.801 421 E CB -0.099 28.506 29.700 -1.825 0.000 0.750 421 E HN 0.401 nan 8.360 nan 0.000 0.452 422 Y N 2.217 122.402 120.300 -0.192 0.000 2.865 422 Y HA -0.179 4.369 4.550 -0.004 0.000 0.338 422 Y C 0.336 176.187 175.900 -0.082 0.000 1.269 422 Y CA 0.965 59.013 58.100 -0.087 0.000 1.585 422 Y CB -0.051 38.390 38.460 -0.031 0.000 1.224 422 Y HN 0.088 nan 8.280 nan 0.000 0.554 423 K N 3.597 123.691 120.400 -0.509 0.000 2.960 423 K HA -0.257 4.061 4.320 -0.004 0.000 0.259 423 K C 0.878 177.382 176.600 -0.160 0.000 1.025 423 K CA 0.800 56.849 56.287 -0.397 0.000 0.756 423 K CB -1.747 30.437 32.500 -0.527 0.000 1.221 423 K HN 1.258 nan 8.250 nan 0.000 0.483 424 G N 0.629 109.355 108.800 -0.124 0.000 2.321 424 G HA2 -0.330 3.627 3.960 -0.004 0.000 0.287 424 G HA3 -0.330 3.627 3.960 -0.004 0.000 0.287 424 G C 0.027 174.876 174.900 -0.085 0.000 1.018 424 G CA 0.890 45.959 45.100 -0.051 0.000 0.855 424 G HN 0.371 nan 8.290 nan 0.000 0.507 425 M N 0.869 120.360 119.600 -0.182 0.000 2.080 425 M HA 0.226 4.703 4.480 -0.004 0.000 0.350 425 M C -0.813 175.232 176.300 -0.426 0.000 1.143 425 M CA -2.053 52.986 55.300 -0.436 0.000 1.064 425 M CB 1.600 34.031 32.600 -0.283 0.000 1.429 425 M HN -0.056 nan 8.290 nan 0.000 0.418 426 P HA -0.102 nan 4.420 nan 0.000 0.221 426 P C 0.991 178.142 177.300 -0.248 0.000 1.145 426 P CA 1.214 64.127 63.100 -0.312 0.000 0.795 426 P CB 0.128 31.651 31.700 -0.295 0.000 0.775 427 G N -0.667 107.923 108.800 -0.350 0.000 3.141 427 G HA2 0.301 4.258 3.960 -0.004 0.000 0.218 427 G HA3 0.301 4.258 3.960 -0.004 0.000 0.218 427 G C 0.670 175.571 174.900 0.002 0.000 1.170 427 G CA 0.102 45.131 45.100 -0.119 0.000 0.769 427 G HN 0.433 nan 8.290 nan 0.000 0.546 428 G N -0.207 108.532 108.800 -0.101 0.000 2.471 428 G HA2 0.657 4.614 3.960 -0.004 0.000 0.332 428 G HA3 0.657 4.614 3.960 -0.004 0.000 0.332 428 G C -0.864 173.894 174.900 -0.236 0.000 1.176 428 G CA -0.797 44.266 45.100 -0.062 0.000 0.949 428 G HN 0.087 nan 8.290 nan 0.000 0.488 429 R N 1.078 121.395 120.500 -0.305 0.000 2.533 429 R HA 0.402 4.740 4.340 -0.004 0.000 0.288 429 R C -1.310 174.940 176.300 -0.083 0.000 1.039 429 R CA -0.772 55.135 56.100 -0.322 0.000 0.909 429 R CB 2.043 31.908 30.300 -0.725 0.000 1.195 429 R HN 0.596 nan 8.270 nan 0.000 0.438 430 N N 1.595 120.276 118.700 -0.031 0.000 2.357 430 N HA 0.354 5.092 4.740 -0.004 0.000 0.284 430 N C -1.216 174.163 175.510 -0.218 0.000 1.236 430 N CA -0.855 52.097 53.050 -0.163 0.000 0.774 430 N CB 2.705 40.971 38.487 -0.368 0.000 1.534 430 N HN 0.241 nan 8.380 nan 0.000 0.478 431 L N 2.012 122.959 121.223 -0.460 0.000 2.305 431 L HA 0.451 4.788 4.340 -0.004 0.000 0.281 431 L C -1.389 175.106 176.870 -0.626 0.000 1.085 431 L CA 0.091 54.693 54.840 -0.397 0.000 0.813 431 L CB -0.124 41.694 42.059 -0.402 0.000 1.157 431 L HN 0.407 nan 8.230 nan 0.000 0.436 432 Y N 3.422 123.376 120.300 -0.576 0.000 2.570 432 Y HA 0.598 5.146 4.550 -0.004 0.000 0.345 432 Y C -0.438 175.115 175.900 -0.577 0.000 1.014 432 Y CA -0.902 56.802 58.100 -0.660 0.000 1.063 432 Y CB 1.687 39.554 38.460 -0.987 0.000 1.272 432 Y HN 0.524 nan 8.280 nan 0.000 0.477 433 K N 2.560 122.798 120.400 -0.269 0.000 2.471 433 K HA 0.677 4.995 4.320 -0.004 0.000 0.252 433 K C -2.003 174.536 176.600 -0.102 0.000 0.938 433 K CA -0.562 55.498 56.287 -0.380 0.000 0.796 433 K CB 1.627 33.793 32.500 -0.556 0.000 1.161 433 K HN 0.786 nan 8.250 nan 0.000 0.425 434 I N 3.284 123.861 120.570 0.013 0.000 2.465 434 I HA 0.230 4.398 4.170 -0.004 0.000 0.291 434 I C -0.773 175.449 176.117 0.174 0.000 1.014 434 I CA -0.688 60.703 61.300 0.152 0.000 1.093 434 I CB 1.783 39.899 38.000 0.194 0.000 1.267 434 I HN 0.781 nan 8.210 nan 0.000 0.431 435 Q N 6.224 126.125 119.800 0.168 0.000 2.281 435 Q HA 0.177 4.514 4.340 -0.004 0.000 0.267 435 Q C 0.321 176.275 176.000 -0.076 0.000 1.053 435 Q CA -0.132 55.610 55.803 -0.102 0.000 0.905 435 Q CB 1.116 29.830 28.738 -0.041 0.000 1.195 435 Q HN 0.842 nan 8.270 nan 0.000 0.398 436 L N 2.460 123.566 121.223 -0.196 0.000 2.191 436 L HA -0.165 4.172 4.340 -0.004 0.000 0.212 436 L C 2.091 178.846 176.870 -0.192 0.000 1.103 436 L CA 1.312 56.115 54.840 -0.063 0.000 0.769 436 L CB -0.314 41.681 42.059 -0.105 0.000 0.908 436 L HN 0.671 nan 8.230 nan 0.000 0.438 437 S N -2.557 113.002 115.700 -0.234 0.000 2.593 437 S HA -0.010 4.458 4.470 -0.004 0.000 0.217 437 S C 0.380 174.824 174.600 -0.259 0.000 0.966 437 S CA -0.069 57.987 58.200 -0.239 0.000 0.914 437 S CB 0.046 63.139 63.200 -0.179 0.000 0.776 437 S HN 0.357 nan 8.310 nan 0.000 0.523 438 D N -0.167 120.089 120.400 -0.240 0.000 2.362 438 D HA 0.180 4.817 4.640 -0.004 0.000 0.232 438 D C -0.411 175.869 176.300 -0.034 0.000 1.329 438 D CA -0.521 53.376 54.000 -0.171 0.000 0.944 438 D CB -0.099 40.650 40.800 -0.084 0.000 1.471 438 D HN -0.052 nan 8.370 nan 0.000 0.533 439 Y N 0.805 121.088 120.300 -0.029 0.000 2.465 439 Y HA -0.116 4.432 4.550 -0.004 0.000 0.289 439 Y C 2.586 178.495 175.900 0.016 0.000 1.150 439 Y CA 1.584 59.679 58.100 -0.008 0.000 1.293 439 Y CB -0.904 37.551 38.460 -0.009 0.000 0.977 439 Y HN 0.447 nan 8.280 nan 0.000 0.556 440 T N -2.769 111.871 114.554 0.143 0.000 3.118 440 T HA -0.009 4.339 4.350 -0.004 0.000 0.260 440 T C 0.645 175.399 174.700 0.090 0.000 1.139 440 T CA 0.162 62.322 62.100 0.099 0.000 1.085 440 T CB -0.099 68.802 68.868 0.055 0.000 0.934 440 T HN -0.155 nan 8.240 nan 0.000 0.518 441 K N 2.333 122.792 120.400 0.098 0.000 2.257 441 K HA 0.511 4.829 4.320 -0.004 0.000 0.270 441 K C -1.214 175.460 176.600 0.123 0.000 1.098 441 K CA -0.360 55.983 56.287 0.095 0.000 0.943 441 K CB 1.312 33.863 32.500 0.085 0.000 1.316 441 K HN 0.155 nan 8.250 nan 0.000 0.447 442 V N 2.701 122.683 119.914 0.113 0.000 2.444 442 V HA 0.309 4.426 4.120 -0.004 0.000 0.294 442 V C -0.144 176.006 176.094 0.093 0.000 1.022 442 V CA -0.644 61.733 62.300 0.128 0.000 0.850 442 V CB 1.976 33.898 31.823 0.165 0.000 0.992 442 V HN 0.565 nan 8.190 nan 0.000 0.426 443 T N 3.600 118.177 114.554 0.038 0.000 2.797 443 T HA 0.263 4.611 4.350 -0.004 0.000 0.279 443 T C -0.367 174.258 174.700 -0.125 0.000 0.991 443 T CA -0.269 61.807 62.100 -0.038 0.000 0.979 443 T CB 1.315 70.124 68.868 -0.098 0.000 0.943 443 T HN 0.748 nan 8.240 nan 0.000 0.444 444 C N 5.346 124.510 119.300 -0.228 0.000 2.394 444 C HA 0.431 4.889 4.460 -0.004 0.000 0.362 444 C C 1.705 176.374 174.990 -0.534 0.000 1.268 444 C CA -0.604 58.013 59.018 -0.669 0.000 1.828 444 C CB -1.814 25.462 27.740 -0.775 0.000 2.442 444 C HN 0.995 nan 8.230 nan 0.000 0.549 445 L N 4.517 125.391 121.223 -0.581 0.000 2.375 445 L HA 0.054 4.392 4.340 -0.004 0.000 0.215 445 L C 2.252 178.810 176.870 -0.520 0.000 1.108 445 L CA 1.165 55.743 54.840 -0.436 0.000 0.830 445 L CB -0.244 41.596 42.059 -0.366 0.000 0.959 445 L HN 0.898 nan 8.230 nan 0.000 0.457 446 S N -2.995 112.272 115.700 -0.723 0.000 2.554 446 S HA -0.021 4.447 4.470 -0.004 0.000 0.227 446 S C 1.933 176.117 174.600 -0.694 0.000 1.050 446 S CA -0.073 57.589 58.200 -0.896 0.000 0.927 446 S CB -0.341 61.898 63.200 -1.601 0.000 0.859 446 S HN 0.291 nan 8.310 nan 0.000 0.494 447 C N 2.281 121.148 119.300 -0.722 0.000 2.349 447 C HA -0.077 4.381 4.460 -0.004 0.000 0.274 447 C C 2.515 177.179 174.990 -0.542 0.000 1.178 447 C CA 1.591 60.102 59.018 -0.846 0.000 1.769 447 C CB -1.153 25.905 27.740 -1.137 0.000 2.047 447 C HN 0.578 nan 8.230 nan 0.000 0.448 448 E N 0.093 120.081 120.200 -0.354 0.000 2.479 448 E HA 0.168 4.515 4.350 -0.004 0.000 0.193 448 E C 1.863 178.404 176.600 -0.098 0.000 1.049 448 E CA -0.017 56.285 56.400 -0.162 0.000 0.870 448 E CB -0.322 29.311 29.700 -0.112 0.000 0.944 448 E HN 0.581 nan 8.360 nan 0.000 0.492 449 L N 0.142 121.298 121.223 -0.112 0.000 1.989 449 L HA -0.115 4.223 4.340 -0.004 0.000 0.211 449 L C 0.997 177.870 176.870 0.005 0.000 1.071 449 L CA 1.027 55.844 54.840 -0.039 0.000 0.749 449 L CB -0.068 41.981 42.059 -0.016 0.000 0.890 449 L HN 0.112 nan 8.230 nan 0.000 0.431 450 N N -1.389 117.329 118.700 0.031 0.000 2.824 450 N HA 0.091 4.829 4.740 -0.004 0.000 0.224 450 N C -2.098 173.430 175.510 0.031 0.000 1.418 450 N CA -1.087 51.977 53.050 0.022 0.000 0.743 450 N CB 0.787 39.282 38.487 0.013 0.000 1.395 450 N HN -0.177 nan 8.380 nan 0.000 0.548 451 P HA -0.146 nan 4.420 nan 0.000 0.218 451 P C 0.543 177.887 177.300 0.074 0.000 1.146 451 P CA 1.340 64.487 63.100 0.078 0.000 0.813 451 P CB 0.685 32.455 31.700 0.117 0.000 0.778 452 E N -0.473 119.751 120.200 0.039 0.000 2.140 452 E HA -0.051 4.296 4.350 -0.004 0.000 0.191 452 E C 2.403 179.002 176.600 -0.002 0.000 0.973 452 E CA 0.326 56.741 56.400 0.025 0.000 0.829 452 E CB -0.160 29.549 29.700 0.015 0.000 0.781 452 E HN 0.193 nan 8.360 nan 0.000 0.466 453 R N 0.190 120.676 120.500 -0.024 0.000 2.140 453 R HA 0.068 4.405 4.340 -0.004 0.000 0.213 453 R C -0.063 176.178 176.300 -0.099 0.000 1.059 453 R CA 0.592 56.653 56.100 -0.064 0.000 1.000 453 R CB 0.370 30.625 30.300 -0.076 0.000 0.910 453 R HN 0.071 nan 8.270 nan 0.000 0.455 454 c N 0.952 119.497 118.600 -0.092 0.000 2.316 454 c HA 0.418 4.986 4.570 -0.004 0.000 0.324 454 c C 0.064 174.084 174.090 -0.117 0.000 1.226 454 c CA -0.667 55.535 56.329 -0.213 0.000 1.450 454 c CB 1.354 43.673 42.510 -0.318 0.000 2.123 454 c HN 0.534 nan 8.230 nan 0.000 0.454 455 Q N 0.384 120.116 119.800 -0.114 0.000 2.113 455 Q HA 0.198 4.536 4.340 -0.004 0.000 0.225 455 Q C -0.945 175.083 176.000 0.046 0.000 0.786 455 Q CA 0.119 55.942 55.803 0.033 0.000 0.989 455 Q CB 1.242 30.037 28.738 0.094 0.000 1.174 455 Q HN 0.799 nan 8.270 nan 0.000 0.470 456 Y N 0.426 120.585 120.300 -0.236 0.000 2.349 456 Y HA 0.386 4.934 4.550 -0.004 0.000 0.324 456 Y C -1.610 174.127 175.900 -0.270 0.000 1.005 456 Y CA -1.036 56.967 58.100 -0.161 0.000 1.240 456 Y CB 0.767 39.152 38.460 -0.125 0.000 1.117 456 Y HN -0.087 nan 8.280 nan 0.000 0.463 457 Y N 2.393 122.627 120.300 -0.109 0.000 2.468 457 Y HA 0.644 5.192 4.550 -0.004 0.000 0.342 457 Y C 0.125 175.980 175.900 -0.074 0.000 1.021 457 Y CA -0.604 57.444 58.100 -0.085 0.000 1.079 457 Y CB 2.273 40.643 38.460 -0.150 0.000 1.226 457 Y HN 0.516 nan 8.280 nan 0.000 0.460 458 S N 1.229 117.029 115.700 0.167 0.000 2.599 458 S HA 0.872 5.340 4.470 -0.004 0.000 0.287 458 S C -1.641 173.029 174.600 0.116 0.000 1.105 458 S CA -0.720 57.556 58.200 0.127 0.000 0.899 458 S CB 1.833 65.120 63.200 0.145 0.000 1.100 458 S HN 0.642 nan 8.310 nan 0.000 0.482 459 V N 0.537 120.511 119.914 0.100 0.000 3.078 459 V HA 0.905 5.023 4.120 -0.004 0.000 0.311 459 V C -1.184 174.976 176.094 0.111 0.000 1.138 459 V CA -0.251 62.077 62.300 0.046 0.000 1.007 459 V CB 2.318 34.082 31.823 -0.099 0.000 1.045 459 V HN 1.250 nan 8.190 nan 0.000 0.432 460 S N 4.045 119.799 115.700 0.090 0.000 2.775 460 S HA 0.628 5.096 4.470 -0.004 0.000 0.277 460 S C -1.214 173.525 174.600 0.231 0.000 1.156 460 S CA -0.416 57.936 58.200 0.254 0.000 1.081 460 S CB 0.355 63.761 63.200 0.342 0.000 1.054 460 S HN 0.510 nan 8.310 nan 0.000 0.482 461 F N 3.100 123.094 119.950 0.072 0.000 2.371 461 F HA 0.455 4.980 4.527 -0.004 0.000 0.329 461 F C 1.503 176.881 175.800 -0.704 0.000 1.107 461 F CA -0.158 57.723 58.000 -0.198 0.000 1.137 461 F CB 1.265 40.122 39.000 -0.239 0.000 1.214 461 F HN 0.644 nan 8.300 nan 0.000 0.536 462 S N 1.694 116.780 115.700 -1.022 0.000 2.634 462 S HA 0.179 4.647 4.470 -0.004 0.000 0.261 462 S C 1.211 175.518 174.600 -0.488 0.000 1.271 462 S CA -0.846 56.428 58.200 -1.543 0.000 0.985 462 S CB 0.746 63.092 63.200 -1.425 0.000 0.968 462 S HN 0.511 nan 8.310 nan 0.000 0.568 463 K N 0.892 121.143 120.400 -0.248 0.000 2.107 463 K HA -0.121 4.196 4.320 -0.004 0.000 0.211 463 K C 0.872 177.425 176.600 -0.077 0.000 1.049 463 K CA 1.638 57.880 56.287 -0.076 0.000 0.927 463 K CB -0.483 32.011 32.500 -0.010 0.000 0.714 463 K HN 0.681 nan 8.250 nan 0.000 0.452 464 E N -1.013 119.115 120.200 -0.120 0.000 2.585 464 E HA 0.275 4.623 4.350 -0.004 0.000 0.206 464 E C -0.008 176.528 176.600 -0.107 0.000 1.007 464 E CA 0.108 56.458 56.400 -0.083 0.000 1.028 464 E CB 0.515 30.178 29.700 -0.061 0.000 1.087 464 E HN 0.221 nan 8.360 nan 0.000 0.455 465 A N 1.222 123.961 122.820 -0.136 0.000 2.860 465 A HA -0.327 3.991 4.320 -0.004 0.000 0.267 465 A C 1.524 179.070 177.584 -0.062 0.000 1.421 465 A CA 1.649 53.636 52.037 -0.085 0.000 0.831 465 A CB -2.084 16.747 19.000 -0.282 0.000 1.041 465 A HN 0.277 nan 8.150 nan 0.000 0.623 466 K N -1.878 118.410 120.400 -0.186 0.000 2.217 466 K HA 0.086 4.404 4.320 -0.004 0.000 0.202 466 K C 0.057 176.307 176.600 -0.584 0.000 1.051 466 K CA 1.475 57.551 56.287 -0.352 0.000 0.952 466 K CB -0.018 32.242 32.500 -0.400 0.000 0.736 466 K HN 0.691 nan 8.250 nan 0.000 0.453 467 Y N -1.127 119.096 120.300 -0.128 0.000 2.581 467 Y HA 0.313 4.861 4.550 -0.004 0.000 0.345 467 Y C -1.064 174.765 175.900 -0.119 0.000 1.036 467 Y CA -1.393 56.641 58.100 -0.109 0.000 1.042 467 Y CB 1.666 40.095 38.460 -0.052 0.000 1.289 467 Y HN -0.054 nan 8.280 nan 0.000 0.471 468 Y N -0.976 119.308 120.300 -0.026 0.000 2.513 468 Y HA 0.541 5.089 4.550 -0.004 0.000 0.340 468 Y C -1.139 174.766 175.900 0.007 0.000 1.055 468 Y CA -1.493 56.430 58.100 -0.294 0.000 1.020 468 Y CB 1.478 39.235 38.460 -1.172 0.000 1.301 468 Y HN 0.598 nan 8.280 nan 0.000 0.453 469 Q N 3.931 123.847 119.800 0.194 0.000 2.278 469 Q HA 0.552 4.889 4.340 -0.004 0.000 0.257 469 Q C -1.719 174.363 176.000 0.137 0.000 0.928 469 Q CA -0.645 55.242 55.803 0.140 0.000 0.932 469 Q CB 1.232 30.023 28.738 0.088 0.000 1.221 469 Q HN 0.968 nan 8.270 nan 0.000 0.434 470 L N 4.334 125.657 121.223 0.166 0.000 2.307 470 L HA 0.528 4.866 4.340 -0.004 0.000 0.282 470 L C -0.189 176.754 176.870 0.121 0.000 1.051 470 L CA -0.591 54.333 54.840 0.139 0.000 0.804 470 L CB 1.351 43.468 42.059 0.096 0.000 1.197 470 L HN 0.615 nan 8.230 nan 0.000 0.431 471 R N 2.416 122.976 120.500 0.099 0.000 2.358 471 R HA 0.291 4.629 4.340 -0.004 0.000 0.309 471 R C -0.985 175.194 176.300 -0.202 0.000 1.026 471 R CA -0.510 55.505 56.100 -0.142 0.000 0.909 471 R CB 1.467 31.765 30.300 -0.004 0.000 1.153 471 R HN 0.578 nan 8.270 nan 0.000 0.515 472 c N 2.855 121.203 118.600 -0.420 0.000 2.347 472 c HA 0.322 4.890 4.570 -0.004 0.000 0.353 472 c C 1.569 175.408 174.090 -0.419 0.000 1.273 472 c CA -0.251 55.719 56.329 -0.598 0.000 1.861 472 c CB 0.055 42.193 42.510 -0.621 0.000 2.420 472 c HN 0.965 nan 8.230 nan 0.000 0.542 473 S N 3.836 119.378 115.700 -0.264 0.000 2.578 473 S HA 0.597 5.065 4.470 -0.004 0.000 0.231 473 S C 0.446 174.987 174.600 -0.098 0.000 0.994 473 S CA 0.265 58.377 58.200 -0.147 0.000 0.956 473 S CB 0.058 63.211 63.200 -0.078 0.000 0.870 473 S HN 1.880 nan 8.310 nan 0.000 0.494 474 G N 1.703 110.428 108.800 -0.126 0.000 2.316 474 G HA2 0.385 4.343 3.960 -0.004 0.000 0.296 474 G HA3 0.385 4.343 3.960 -0.004 0.000 0.296 474 G C -2.994 171.868 174.900 -0.064 0.000 1.399 474 G CA -0.448 44.620 45.100 -0.053 0.000 0.833 474 G HN -0.131 nan 8.290 nan 0.000 0.565 475 P HA 0.119 nan 4.420 nan 0.000 0.233 475 P C 1.251 178.565 177.300 0.024 0.000 1.167 475 P CA 1.354 64.471 63.100 0.028 0.000 0.770 475 P CB 0.374 32.092 31.700 0.031 0.000 0.837 476 G N 0.295 109.044 108.800 -0.085 0.000 2.510 476 G HA2 0.420 4.378 3.960 -0.004 0.000 0.280 476 G HA3 0.420 4.378 3.960 -0.004 0.000 0.280 476 G C -0.340 174.311 174.900 -0.415 0.000 1.386 476 G CA -0.770 44.208 45.100 -0.204 0.000 1.047 476 G HN 0.042 nan 8.290 nan 0.000 0.527 477 L N 1.179 122.084 121.223 -0.530 0.000 2.456 477 L HA 0.167 4.505 4.340 -0.004 0.000 0.272 477 L C -1.867 174.818 176.870 -0.309 0.000 1.189 477 L CA -1.250 53.229 54.840 -0.603 0.000 0.846 477 L CB 0.788 42.584 42.059 -0.437 0.000 1.111 477 L HN 0.231 nan 8.230 nan 0.000 0.475 478 P HA 0.018 nan 4.420 nan 0.000 0.264 478 P C -0.995 176.208 177.300 -0.160 0.000 1.183 478 P CA 0.061 63.058 63.100 -0.171 0.000 0.763 478 P CB 0.561 32.259 31.700 -0.004 0.000 0.807 479 L N 5.382 126.416 121.223 -0.314 0.000 2.409 479 L HA 0.494 4.832 4.340 -0.004 0.000 0.272 479 L C -1.752 174.924 176.870 -0.323 0.000 0.980 479 L CA -0.660 54.068 54.840 -0.188 0.000 0.826 479 L CB 1.016 42.993 42.059 -0.137 0.000 1.268 479 L HN 0.225 nan 8.230 nan 0.000 0.407 480 Y N 2.715 122.972 120.300 -0.071 0.000 2.335 480 Y HA 0.737 5.285 4.550 -0.004 0.000 0.338 480 Y C 0.436 176.231 175.900 -0.175 0.000 0.977 480 Y CA -0.541 57.498 58.100 -0.102 0.000 1.114 480 Y CB 2.085 40.461 38.460 -0.140 0.000 1.182 480 Y HN 0.676 nan 8.280 nan 0.000 0.463 481 T N 0.802 115.355 114.554 -0.000 0.000 2.906 481 T HA 0.728 5.076 4.350 -0.004 0.000 0.295 481 T C -1.476 173.116 174.700 -0.180 0.000 1.075 481 T CA -0.884 61.146 62.100 -0.116 0.000 1.005 481 T CB 2.006 70.864 68.868 -0.018 0.000 1.136 481 T HN 0.389 nan 8.240 nan 0.000 0.498 482 L N 1.768 122.744 121.223 -0.412 0.000 2.334 482 L HA 0.621 4.959 4.340 -0.004 0.000 0.276 482 L C -0.772 175.697 176.870 -0.669 0.000 1.014 482 L CA -0.351 54.284 54.840 -0.342 0.000 0.815 482 L CB 1.274 43.190 42.059 -0.238 0.000 1.268 482 L HN 0.822 nan 8.230 nan 0.000 0.428 483 H N 1.532 120.379 119.070 -0.371 0.000 2.821 483 H HA 0.362 4.916 4.556 -0.004 0.000 0.373 483 H C -1.108 174.007 175.328 -0.355 0.000 1.165 483 H CA -0.840 54.890 56.048 -0.530 0.000 1.154 483 H CB 2.241 31.315 29.762 -1.147 0.000 1.765 483 H HN 0.503 nan 8.280 nan 0.000 0.549 484 S N 0.562 116.213 115.700 -0.082 0.000 2.457 484 S HA 0.145 4.613 4.470 -0.004 0.000 0.289 484 S C 0.765 175.340 174.600 -0.041 0.000 1.163 484 S CA -0.549 57.640 58.200 -0.017 0.000 1.078 484 S CB 0.815 64.036 63.200 0.035 0.000 0.987 484 S HN 0.603 nan 8.310 nan 0.000 0.482 485 S N 3.760 119.440 115.700 -0.032 0.000 2.436 485 S HA -0.072 4.395 4.470 -0.004 0.000 0.228 485 S C 1.857 176.498 174.600 0.069 0.000 1.014 485 S CA 0.731 59.030 58.200 0.165 0.000 0.950 485 S CB -0.188 63.108 63.200 0.160 0.000 0.784 485 S HN 0.678 nan 8.310 nan 0.000 0.504 486 V N 3.748 123.649 119.914 -0.022 0.000 2.490 486 V HA -0.138 3.980 4.120 -0.004 0.000 0.250 486 V C 1.240 177.342 176.094 0.014 0.000 1.061 486 V CA 2.060 64.358 62.300 -0.003 0.000 1.064 486 V CB -0.468 31.337 31.823 -0.030 0.000 0.670 486 V HN 0.816 nan 8.190 nan 0.000 0.461 487 N N -3.218 115.491 118.700 0.015 0.000 2.143 487 N HA 0.051 4.789 4.740 -0.004 0.000 0.229 487 N C -0.255 175.269 175.510 0.024 0.000 1.294 487 N CA 0.280 53.339 53.050 0.016 0.000 0.883 487 N CB 0.601 39.098 38.487 0.016 0.000 1.148 487 N HN 0.254 nan 8.380 nan 0.000 0.511 488 D N 0.963 121.396 120.400 0.056 0.000 2.811 488 D HA -0.120 4.517 4.640 -0.004 0.000 0.231 488 D C -0.596 175.742 176.300 0.063 0.000 1.157 488 D CA 1.157 55.214 54.000 0.096 0.000 0.716 488 D CB -0.417 40.420 40.800 0.062 0.000 1.077 488 D HN 0.422 nan 8.370 nan 0.000 0.428 489 K N 0.208 120.630 120.400 0.037 0.000 2.130 489 K HA 0.503 4.821 4.320 -0.004 0.000 0.268 489 K C 0.885 177.486 176.600 0.003 0.000 0.983 489 K CA -0.478 55.824 56.287 0.025 0.000 0.893 489 K CB 1.322 33.827 32.500 0.009 0.000 1.066 489 K HN 0.091 nan 8.250 nan 0.000 0.450 490 G N 2.284 111.075 108.800 -0.016 0.000 2.361 490 G HA2 0.201 4.159 3.960 -0.004 0.000 0.260 490 G HA3 0.201 4.159 3.960 -0.004 0.000 0.260 490 G C 0.892 175.664 174.900 -0.214 0.000 1.261 490 G CA -0.337 44.631 45.100 -0.220 0.000 0.897 490 G HN 0.521 nan 8.290 nan 0.000 0.499 491 L N 1.826 122.869 121.223 -0.300 0.000 2.168 491 L HA 0.319 4.657 4.340 -0.004 0.000 0.203 491 L C 1.540 178.314 176.870 -0.159 0.000 1.078 491 L CA 0.680 55.420 54.840 -0.166 0.000 0.780 491 L CB -0.180 41.799 42.059 -0.134 0.000 0.939 491 L HN 0.783 nan 8.230 nan 0.000 0.451 492 R N -2.273 118.087 120.500 -0.234 0.000 3.033 492 R HA 0.284 4.622 4.340 -0.004 0.000 0.284 492 R C -1.663 174.501 176.300 -0.226 0.000 0.997 492 R CA -0.907 55.084 56.100 -0.181 0.000 0.851 492 R CB 0.986 31.211 30.300 -0.124 0.000 1.297 492 R HN -0.286 nan 8.270 nan 0.000 0.518 493 V N 2.619 122.430 119.914 -0.171 0.000 2.530 493 V HA 0.185 4.303 4.120 -0.004 0.000 0.282 493 V C 1.281 177.239 176.094 -0.227 0.000 1.048 493 V CA -0.275 61.925 62.300 -0.166 0.000 0.997 493 V CB 1.221 32.985 31.823 -0.099 0.000 0.987 493 V HN 0.624 nan 8.190 nan 0.000 0.477 494 L N 2.460 123.485 121.223 -0.330 0.000 2.316 494 L HA 0.343 4.681 4.340 -0.004 0.000 0.207 494 L C 0.590 177.228 176.870 -0.387 0.000 1.070 494 L CA 0.528 54.992 54.840 -0.626 0.000 0.820 494 L CB 0.298 41.589 42.059 -1.280 0.000 0.992 494 L HN 0.687 nan 8.230 nan 0.000 0.466 495 E N -0.001 120.111 120.200 -0.146 0.000 2.343 495 E HA 0.099 4.447 4.350 -0.004 0.000 0.288 495 E C -1.202 175.463 176.600 0.108 0.000 0.907 495 E CA -0.349 56.070 56.400 0.032 0.000 0.792 495 E CB 1.142 30.886 29.700 0.073 0.000 1.275 495 E HN 0.156 nan 8.360 nan 0.000 0.402 496 D N 2.985 123.420 120.400 0.058 0.000 2.469 496 D HA 0.151 4.789 4.640 -0.004 0.000 0.213 496 D C -0.247 176.068 176.300 0.024 0.000 1.135 496 D CA -0.215 53.804 54.000 0.032 0.000 0.834 496 D CB -0.009 40.789 40.800 -0.005 0.000 1.009 496 D HN 0.448 nan 8.370 nan 0.000 0.507 497 N N 0.399 119.130 118.700 0.053 0.000 2.725 497 N HA -0.218 4.520 4.740 -0.004 0.000 0.249 497 N C 0.998 176.516 175.510 0.014 0.000 1.103 497 N CA 0.899 53.973 53.050 0.040 0.000 0.707 497 N CB -1.306 37.194 38.487 0.023 0.000 1.043 497 N HN 0.485 nan 8.380 nan 0.000 0.553 498 S N -0.950 114.760 115.700 0.017 0.000 2.368 498 S HA -0.072 4.396 4.470 -0.004 0.000 0.225 498 S C 2.127 176.743 174.600 0.026 0.000 1.030 498 S CA 1.091 59.297 58.200 0.010 0.000 0.999 498 S CB -0.230 62.977 63.200 0.012 0.000 0.844 498 S HN 0.507 nan 8.310 nan 0.000 0.459 499 A N 2.318 125.163 122.820 0.041 0.000 1.865 499 A HA -0.017 4.300 4.320 -0.004 0.000 0.217 499 A C 2.291 179.920 177.584 0.074 0.000 1.191 499 A CA 1.812 53.883 52.037 0.056 0.000 0.623 499 A CB -1.091 17.945 19.000 0.061 0.000 0.826 499 A HN 0.572 nan 8.150 nan 0.000 0.444 500 L N 0.378 121.649 121.223 0.081 0.000 2.083 500 L HA -0.168 4.170 4.340 -0.004 0.000 0.209 500 L C 1.931 178.842 176.870 0.068 0.000 1.083 500 L CA 2.902 57.809 54.840 0.111 0.000 0.752 500 L CB -0.755 41.371 42.059 0.112 0.000 0.899 500 L HN 0.537 nan 8.230 nan 0.000 0.433 501 D N -0.922 119.488 120.400 0.016 0.000 2.149 501 D HA -0.243 4.395 4.640 -0.004 0.000 0.198 501 D C 2.151 178.458 176.300 0.012 0.000 0.990 501 D CA 1.046 55.037 54.000 -0.015 0.000 0.839 501 D CB -0.049 40.729 40.800 -0.038 0.000 0.948 501 D HN 0.111 nan 8.370 nan 0.000 0.460 502 K N 0.156 120.576 120.400 0.034 0.000 2.002 502 K HA -0.120 4.198 4.320 -0.004 0.000 0.209 502 K C 2.173 178.814 176.600 0.068 0.000 1.048 502 K CA 1.183 57.497 56.287 0.044 0.000 0.930 502 K CB -0.476 32.053 32.500 0.048 0.000 0.714 502 K HN 0.321 nan 8.250 nan 0.000 0.438 503 M N 0.585 120.251 119.600 0.110 0.000 2.080 503 M HA -0.185 4.293 4.480 -0.004 0.000 0.260 503 M C 2.207 178.578 176.300 0.118 0.000 1.068 503 M CA 1.539 56.951 55.300 0.186 0.000 1.109 503 M CB -0.384 32.418 32.600 0.337 0.000 1.342 503 M HN 0.038 nan 8.290 nan 0.000 0.405 504 L N -0.074 121.159 121.223 0.017 0.000 2.450 504 L HA -0.191 4.147 4.340 -0.004 0.000 0.224 504 L C 2.504 179.347 176.870 -0.045 0.000 1.149 504 L CA 0.505 55.283 54.840 -0.104 0.000 0.816 504 L CB -0.708 41.294 42.059 -0.096 0.000 0.932 504 L HN 0.390 nan 8.230 nan 0.000 0.449 505 Q N 0.124 119.925 119.800 0.000 0.000 2.224 505 Q HA -0.081 4.257 4.340 -0.004 0.000 0.203 505 Q C 1.267 177.281 176.000 0.024 0.000 0.970 505 Q CA 0.956 56.765 55.803 0.009 0.000 0.865 505 Q CB -0.217 28.532 28.738 0.019 0.000 0.922 505 Q HN 0.590 nan 8.270 nan 0.000 0.445 506 N N 0.108 118.834 118.700 0.043 0.000 2.313 506 N HA 0.061 4.798 4.740 -0.004 0.000 0.207 506 N C -0.456 175.093 175.510 0.064 0.000 1.141 506 N CA 0.111 53.199 53.050 0.063 0.000 0.830 506 N CB 1.165 39.706 38.487 0.091 0.000 1.008 506 N HN -0.055 nan 8.380 nan 0.000 0.481 507 V N 0.873 120.801 119.914 0.023 0.000 2.656 507 V HA 0.195 4.313 4.120 -0.004 0.000 0.307 507 V C 0.167 176.261 176.094 0.001 0.000 1.051 507 V CA -0.888 61.422 62.300 0.016 0.000 0.893 507 V CB 2.637 34.419 31.823 -0.069 0.000 0.999 507 V HN 0.009 nan 8.190 nan 0.000 0.426 508 Q N 4.122 123.936 119.800 0.022 0.000 2.815 508 Q HA 0.253 4.591 4.340 -0.004 0.000 0.235 508 Q C -0.308 175.661 176.000 -0.052 0.000 1.354 508 Q CA -0.186 55.602 55.803 -0.025 0.000 0.953 508 Q CB 0.175 28.915 28.738 0.003 0.000 1.613 508 Q HN 0.530 nan 8.270 nan 0.000 0.572 509 M N 3.147 122.704 119.600 -0.072 0.000 2.243 509 M HA 0.244 4.722 4.480 -0.004 0.000 0.341 509 M C -1.855 174.374 176.300 -0.119 0.000 1.130 509 M CA -2.183 53.062 55.300 -0.091 0.000 1.162 509 M CB -0.282 32.267 32.600 -0.085 0.000 1.497 509 M HN 0.250 nan 8.290 nan 0.000 0.456 510 P HA 0.250 nan 4.420 nan 0.000 0.276 510 P C -0.826 176.387 177.300 -0.144 0.000 1.261 510 P CA -0.385 62.622 63.100 -0.155 0.000 0.800 510 P CB 0.677 32.272 31.700 -0.174 0.000 1.066 511 S N -0.672 114.931 115.700 -0.162 0.000 2.664 511 S HA 0.613 5.081 4.470 -0.004 0.000 0.304 511 S C -0.534 173.968 174.600 -0.164 0.000 1.099 511 S CA -0.777 57.341 58.200 -0.136 0.000 1.003 511 S CB 1.782 64.906 63.200 -0.127 0.000 1.092 511 S HN 0.526 nan 8.310 nan 0.000 0.525 512 K N 0.584 120.912 120.400 -0.121 0.000 2.397 512 K HA 0.436 4.754 4.320 -0.004 0.000 0.253 512 K C -1.314 175.227 176.600 -0.100 0.000 0.932 512 K CA -0.561 55.656 56.287 -0.117 0.000 0.795 512 K CB 1.428 33.880 32.500 -0.080 0.000 1.159 512 K HN 0.743 nan 8.250 nan 0.000 0.424 513 K N 4.826 125.155 120.400 -0.119 0.000 2.221 513 K HA 0.383 4.701 4.320 -0.004 0.000 0.258 513 K C -1.690 174.857 176.600 -0.088 0.000 0.944 513 K CA -0.885 55.343 56.287 -0.100 0.000 0.823 513 K CB 1.143 33.564 32.500 -0.132 0.000 1.113 513 K HN 0.475 nan 8.250 nan 0.000 0.431 514 L N 3.657 124.846 121.223 -0.058 0.000 2.376 514 L HA 0.563 4.901 4.340 -0.004 0.000 0.275 514 L C -1.402 175.454 176.870 -0.023 0.000 0.987 514 L CA 0.110 54.941 54.840 -0.016 0.000 0.828 514 L CB 1.604 43.729 42.059 0.111 0.000 1.249 514 L HN 0.857 nan 8.230 nan 0.000 0.409 515 D N 2.622 122.851 120.400 -0.285 0.000 2.851 515 D HA 0.527 5.165 4.640 -0.004 0.000 0.339 515 D C -1.603 174.357 176.300 -0.567 0.000 1.347 515 D CA -0.006 53.761 54.000 -0.388 0.000 0.888 515 D CB 1.492 42.039 40.800 -0.422 0.000 1.431 515 D HN 0.245 nan 8.370 nan 0.000 0.509 516 F N -0.262 119.350 119.950 -0.563 0.000 2.650 516 F HA 0.783 5.308 4.527 -0.004 0.000 0.320 516 F C -0.818 175.042 175.800 0.099 0.000 1.091 516 F CA -1.145 56.620 58.000 -0.391 0.000 0.962 516 F CB 0.903 39.196 39.000 -1.179 0.000 1.363 516 F HN 0.291 nan 8.300 nan 0.000 0.482 517 I N -0.090 120.731 120.570 0.419 0.000 2.689 517 I HA 0.676 4.844 4.170 -0.004 0.000 0.299 517 I C -1.462 174.888 176.117 0.387 0.000 1.059 517 I CA -1.154 60.332 61.300 0.309 0.000 1.055 517 I CB 2.400 40.567 38.000 0.277 0.000 1.243 517 I HN 0.642 nan 8.210 nan 0.000 0.425 518 I N 5.551 126.289 120.570 0.279 0.000 2.331 518 I HA 0.447 4.614 4.170 -0.004 0.000 0.292 518 I C -0.723 175.536 176.117 0.236 0.000 0.998 518 I CA -0.489 60.965 61.300 0.257 0.000 1.267 518 I CB 1.384 39.497 38.000 0.188 0.000 1.386 518 I HN 0.402 nan 8.210 nan 0.000 0.476 519 L N 6.375 127.790 121.223 0.320 0.000 2.410 519 L HA 0.421 4.759 4.340 -0.004 0.000 0.270 519 L C -0.153 176.863 176.870 0.243 0.000 0.983 519 L CA -0.807 54.193 54.840 0.267 0.000 0.822 519 L CB 1.679 43.913 42.059 0.291 0.000 1.285 519 L HN 0.585 nan 8.230 nan 0.000 0.409 520 N N 2.356 121.136 118.700 0.134 0.000 2.716 520 N HA -0.226 4.512 4.740 -0.004 0.000 0.250 520 N C 0.067 175.628 175.510 0.085 0.000 1.033 520 N CA 1.356 54.463 53.050 0.095 0.000 0.727 520 N CB -0.983 37.559 38.487 0.092 0.000 0.950 520 N HN 0.823 nan 8.380 nan 0.000 0.541 521 E N -3.581 116.666 120.200 0.079 0.000 3.370 521 E HA -0.283 4.065 4.350 -0.004 0.000 0.291 521 E C -0.070 176.544 176.600 0.023 0.000 0.916 521 E CA 1.440 57.870 56.400 0.050 0.000 0.981 521 E CB -1.507 28.210 29.700 0.030 0.000 1.498 521 E HN 0.613 nan 8.360 nan 0.000 0.452 522 T N 0.076 114.647 114.554 0.030 0.000 2.861 522 T HA 0.458 4.806 4.350 -0.004 0.000 0.287 522 T C -0.603 173.974 174.700 -0.206 0.000 1.003 522 T CA -0.830 61.198 62.100 -0.120 0.000 0.977 522 T CB 1.605 70.364 68.868 -0.181 0.000 0.996 522 T HN 0.236 nan 8.240 nan 0.000 0.448 523 K N 3.117 123.330 120.400 -0.312 0.000 2.172 523 K HA 0.594 4.911 4.320 -0.004 0.000 0.276 523 K C -1.401 174.912 176.600 -0.478 0.000 1.013 523 K CA -0.632 55.502 56.287 -0.254 0.000 0.913 523 K CB 0.720 32.963 32.500 -0.428 0.000 1.055 523 K HN 0.423 nan 8.250 nan 0.000 0.461 524 F N 1.910 121.918 119.950 0.098 0.000 2.493 524 F HA 0.360 4.884 4.527 -0.004 0.000 0.329 524 F C -0.706 175.142 175.800 0.081 0.000 1.126 524 F CA -0.747 57.291 58.000 0.064 0.000 0.937 524 F CB 1.063 40.069 39.000 0.010 0.000 1.146 524 F HN 0.524 nan 8.300 nan 0.000 0.442 525 W N 3.431 124.846 121.300 0.191 0.000 2.237 525 W HA 0.498 5.155 4.660 -0.004 0.000 0.335 525 W C -0.571 176.125 176.519 0.295 0.000 1.230 525 W CA -0.437 57.055 57.345 0.245 0.000 1.253 525 W CB 0.499 30.039 29.460 0.133 0.000 1.129 525 W HN 0.455 nan 8.180 nan 0.000 0.590 526 Y N -0.695 119.914 120.300 0.515 0.000 2.638 526 Y HA 0.599 5.147 4.550 -0.004 0.000 0.335 526 Y C -1.078 175.047 175.900 0.375 0.000 1.155 526 Y CA -1.849 56.560 58.100 0.516 0.000 1.046 526 Y CB 0.981 39.926 38.460 0.809 0.000 1.303 526 Y HN 0.573 nan 8.280 nan 0.000 0.460 527 Q N 2.246 122.256 119.800 0.351 0.000 2.451 527 Q HA 0.805 5.142 4.340 -0.004 0.000 0.281 527 Q C -1.777 174.326 176.000 0.170 0.000 1.099 527 Q CA -1.236 54.647 55.803 0.133 0.000 0.806 527 Q CB 3.471 32.273 28.738 0.106 0.000 1.419 527 Q HN 0.850 nan 8.270 nan 0.000 0.427 528 M N 2.045 121.660 119.600 0.025 0.000 2.326 528 M HA 0.436 4.914 4.480 -0.004 0.000 0.292 528 M C -1.341 174.866 176.300 -0.154 0.000 1.081 528 M CA -0.905 54.348 55.300 -0.078 0.000 0.919 528 M CB 2.325 34.827 32.600 -0.164 0.000 1.634 528 M HN 0.591 nan 8.290 nan 0.000 0.451 529 I N 4.978 125.454 120.570 -0.157 0.000 2.297 529 I HA 0.379 4.547 4.170 -0.004 0.000 0.291 529 I C -0.458 175.489 176.117 -0.283 0.000 1.033 529 I CA -0.281 60.905 61.300 -0.190 0.000 1.253 529 I CB 0.321 38.233 38.000 -0.147 0.000 1.396 529 I HN 0.633 nan 8.210 nan 0.000 0.476 530 L N 8.321 129.324 121.223 -0.367 0.000 2.309 530 L HA 0.470 4.807 4.340 -0.004 0.000 0.282 530 L C -2.208 174.455 176.870 -0.346 0.000 1.036 530 L CA -1.828 52.691 54.840 -0.534 0.000 0.806 530 L CB 1.280 42.826 42.059 -0.856 0.000 1.220 530 L HN 0.262 nan 8.230 nan 0.000 0.429 531 P HA 0.083 nan 4.420 nan 0.000 0.269 531 P C -2.470 174.775 177.300 -0.092 0.000 1.217 531 P CA -0.818 62.202 63.100 -0.135 0.000 0.783 531 P CB -0.120 31.559 31.700 -0.034 0.000 0.898 532 P HA -0.028 nan 4.420 nan 0.000 0.268 532 P C -0.489 176.727 177.300 -0.141 0.000 1.208 532 P CA 0.468 63.419 63.100 -0.248 0.000 0.777 532 P CB -0.315 31.183 31.700 -0.337 0.000 0.875 533 H N -1.957 117.148 119.070 0.058 0.000 2.655 533 H HA -0.229 4.325 4.556 -0.004 0.000 0.313 533 H C 0.011 175.397 175.328 0.097 0.000 1.141 533 H CA -0.353 55.733 56.048 0.064 0.000 1.138 533 H CB -2.205 27.588 29.762 0.051 0.000 1.446 533 H HN 0.303 nan 8.280 nan 0.000 0.415 534 F N 2.290 122.231 119.950 -0.015 0.000 2.623 534 F HA 0.096 4.621 4.527 -0.004 0.000 0.383 534 F C 0.519 176.327 175.800 0.013 0.000 1.077 534 F CA -0.159 57.780 58.000 -0.101 0.000 1.268 534 F CB 0.495 39.316 39.000 -0.298 0.000 1.053 534 F HN 0.270 nan 8.300 nan 0.000 0.571 535 D N 6.251 126.290 120.400 -0.602 0.000 2.471 535 D HA 0.141 4.779 4.640 -0.004 0.000 0.245 535 D C 0.398 176.292 176.300 -0.678 0.000 1.116 535 D CA -0.574 53.147 54.000 -0.465 0.000 0.853 535 D CB 1.151 41.865 40.800 -0.142 0.000 1.123 535 D HN 0.684 nan 8.370 nan 0.000 0.540 536 K N 1.171 121.192 120.400 -0.631 0.000 2.574 536 K HA -0.067 4.251 4.320 -0.004 0.000 0.193 536 K C 1.051 177.645 176.600 -0.009 0.000 1.035 536 K CA 0.519 56.634 56.287 -0.287 0.000 0.982 536 K CB -0.098 32.394 32.500 -0.013 0.000 0.795 536 K HN 0.210 nan 8.250 nan 0.000 0.491 537 S N 0.116 115.776 115.700 -0.067 0.000 2.575 537 S HA 0.101 4.569 4.470 -0.004 0.000 0.215 537 S C 0.268 174.845 174.600 -0.038 0.000 0.966 537 S CA -0.528 57.656 58.200 -0.026 0.000 0.911 537 S CB 0.026 63.201 63.200 -0.043 0.000 0.780 537 S HN 0.196 nan 8.310 nan 0.000 0.514 538 K N 1.004 121.370 120.400 -0.056 0.000 2.139 538 K HA 0.467 4.784 4.320 -0.004 0.000 0.243 538 K C -0.698 175.872 176.600 -0.050 0.000 0.983 538 K CA -0.926 55.273 56.287 -0.146 0.000 0.890 538 K CB 0.708 32.977 32.500 -0.385 0.000 1.090 538 K HN -0.063 nan 8.250 nan 0.000 0.445 539 K N 2.330 122.642 120.400 -0.146 0.000 2.334 539 K HA 0.267 4.585 4.320 -0.004 0.000 0.265 539 K C -0.977 175.554 176.600 -0.115 0.000 1.039 539 K CA -0.310 55.959 56.287 -0.031 0.000 0.920 539 K CB 0.541 33.008 32.500 -0.055 0.000 1.160 539 K HN 0.478 nan 8.250 nan 0.000 0.451 540 Y N 3.104 123.445 120.300 0.069 0.000 2.376 540 Y HA 0.270 4.817 4.550 -0.004 0.000 0.325 540 Y C -1.656 174.191 175.900 -0.088 0.000 1.199 540 Y CA -2.101 56.008 58.100 0.015 0.000 1.206 540 Y CB 0.931 39.458 38.460 0.111 0.000 1.229 540 Y HN 0.428 nan 8.280 nan 0.000 0.480 541 P HA 0.162 nan 4.420 nan 0.000 0.274 541 P C -1.168 175.974 177.300 -0.264 0.000 1.231 541 P CA -0.197 62.624 63.100 -0.466 0.000 0.790 541 P CB 1.613 32.676 31.700 -1.061 0.000 0.951 542 L N 2.693 123.802 121.223 -0.191 0.000 2.385 542 L HA 0.502 4.839 4.340 -0.004 0.000 0.273 542 L C -1.117 175.927 176.870 0.290 0.000 0.990 542 L CA -1.192 53.691 54.840 0.071 0.000 0.821 542 L CB 1.788 43.918 42.059 0.118 0.000 1.279 542 L HN 0.171 nan 8.230 nan 0.000 0.412 543 L N 5.525 126.937 121.223 0.315 0.000 2.298 543 L HA 0.481 4.819 4.340 -0.004 0.000 0.284 543 L C -1.198 175.907 176.870 0.391 0.000 1.013 543 L CA -0.323 54.765 54.840 0.412 0.000 0.824 543 L CB 1.522 43.778 42.059 0.330 0.000 1.221 543 L HN 0.594 nan 8.230 nan 0.000 0.418 544 L N 5.262 126.761 121.223 0.461 0.000 2.283 544 L HA 0.378 4.715 4.340 -0.004 0.000 0.287 544 L C -0.482 176.630 176.870 0.403 0.000 1.073 544 L CA 0.232 55.334 54.840 0.437 0.000 0.822 544 L CB 0.444 42.792 42.059 0.482 0.000 1.186 544 L HN 0.640 nan 8.230 nan 0.000 0.436 545 D N 4.609 125.230 120.400 0.369 0.000 2.347 545 D HA 0.233 4.871 4.640 -0.004 0.000 0.235 545 D C -0.953 175.440 176.300 0.156 0.000 1.149 545 D CA 0.072 54.226 54.000 0.257 0.000 0.850 545 D CB 1.224 42.239 40.800 0.358 0.000 1.061 545 D HN 0.335 nan 8.370 nan 0.000 0.487 546 V N 5.268 125.200 119.914 0.030 0.000 2.864 546 V HA 0.480 4.598 4.120 -0.004 0.000 0.314 546 V C -0.991 175.178 176.094 0.125 0.000 1.073 546 V CA -0.429 61.942 62.300 0.118 0.000 0.956 546 V CB 1.911 33.807 31.823 0.121 0.000 1.023 546 V HN 0.667 nan 8.190 nan 0.000 0.435 547 Y N 4.607 124.979 120.300 0.120 0.000 3.266 547 Y HA 0.548 5.096 4.550 -0.004 0.000 0.189 547 Y C 1.540 177.581 175.900 0.235 0.000 0.895 547 Y CA 1.168 59.364 58.100 0.160 0.000 1.706 547 Y CB 0.226 38.760 38.460 0.123 0.000 1.449 547 Y HN 1.071 nan 8.280 nan 0.000 0.391 548 A N 1.076 124.016 122.820 0.201 0.000 2.847 548 A HA -0.172 4.145 4.320 -0.004 0.000 0.263 548 A C 0.888 178.358 177.584 -0.191 0.000 1.391 548 A CA 0.973 53.076 52.037 0.110 0.000 0.866 548 A CB -2.446 16.664 19.000 0.183 0.000 1.057 548 A HN 0.936 nan 8.150 nan 0.000 0.673 549 G N -0.460 108.004 108.800 -0.560 0.000 2.651 549 G HA2 0.500 4.458 3.960 -0.004 0.000 0.260 549 G HA3 0.500 4.458 3.960 -0.004 0.000 0.260 549 G C -1.815 172.799 174.900 -0.478 0.000 1.216 549 G CA -0.595 43.744 45.100 -1.268 0.000 0.913 549 G HN 0.452 nan 8.290 nan 0.000 0.535 550 P HA 0.029 nan 4.420 nan 0.000 0.267 550 P C 0.579 177.747 177.300 -0.220 0.000 1.209 550 P CA 0.247 63.096 63.100 -0.418 0.000 0.763 550 P CB 0.797 31.859 31.700 -1.063 0.000 0.816 551 C N 2.303 121.542 119.300 -0.101 0.000 4.417 551 C HA -0.150 4.308 4.460 -0.004 0.000 0.284 551 C C 1.123 176.114 174.990 0.003 0.000 1.379 551 C CA 1.151 60.065 59.018 -0.174 0.000 1.918 551 C CB -2.657 24.826 27.740 -0.428 0.000 1.280 551 C HN 0.829 nan 8.230 nan 0.000 0.783 552 S N -0.024 115.755 115.700 0.131 0.000 2.645 552 S HA 0.561 5.029 4.470 -0.004 0.000 0.266 552 S C -0.583 174.173 174.600 0.260 0.000 1.258 552 S CA 0.215 58.578 58.200 0.271 0.000 0.990 552 S CB 1.582 65.017 63.200 0.393 0.000 0.967 552 S HN 0.847 nan 8.310 nan 0.000 0.556 553 Q N -0.134 119.850 119.800 0.306 0.000 2.309 553 Q HA 0.348 4.686 4.340 -0.004 0.000 0.254 553 Q C -0.880 175.256 176.000 0.225 0.000 0.938 553 Q CA -0.548 55.434 55.803 0.297 0.000 0.789 553 Q CB 1.010 29.992 28.738 0.406 0.000 1.313 553 Q HN 0.697 nan 8.270 nan 0.000 0.438 554 K N 1.146 121.677 120.400 0.219 0.000 2.374 554 K HA 0.362 4.680 4.320 -0.004 0.000 0.202 554 K C -0.616 176.098 176.600 0.190 0.000 1.040 554 K CA 0.204 56.608 56.287 0.196 0.000 1.085 554 K CB 1.662 34.305 32.500 0.238 0.000 0.873 554 K HN 0.481 nan 8.250 nan 0.000 0.539 555 A N 2.570 125.508 122.820 0.198 0.000 2.293 555 A HA 0.466 4.784 4.320 -0.004 0.000 0.312 555 A C -0.892 176.770 177.584 0.131 0.000 1.309 555 A CA -0.563 51.592 52.037 0.197 0.000 0.839 555 A CB 0.295 19.472 19.000 0.294 0.000 1.155 555 A HN 0.229 nan 8.150 nan 0.000 0.501 556 D N -0.080 120.371 120.400 0.084 0.000 2.752 556 D HA 0.429 5.067 4.640 -0.004 0.000 0.313 556 D C 0.424 176.742 176.300 0.030 0.000 1.225 556 D CA 0.283 54.321 54.000 0.063 0.000 0.976 556 D CB 0.326 41.168 40.800 0.070 0.000 1.443 556 D HN 0.174 nan 8.370 nan 0.000 0.515 557 T N -2.321 112.271 114.554 0.063 0.000 3.163 557 T HA 0.314 4.661 4.350 -0.004 0.000 0.252 557 T C 0.454 175.122 174.700 -0.052 0.000 1.056 557 T CA -0.365 61.761 62.100 0.044 0.000 0.947 557 T CB -0.659 68.279 68.868 0.117 0.000 1.016 557 T HN 0.263 nan 8.240 nan 0.000 0.554 558 V N 2.484 122.259 119.914 -0.232 0.000 2.686 558 V HA 0.328 4.445 4.120 -0.004 0.000 0.295 558 V C 0.063 176.100 176.094 -0.094 0.000 1.055 558 V CA -0.944 61.182 62.300 -0.289 0.000 1.050 558 V CB 0.240 31.761 31.823 -0.503 0.000 0.984 558 V HN 0.571 nan 8.190 nan 0.000 0.482 559 F N 6.321 126.171 119.950 -0.165 0.000 2.424 559 F HA 0.552 5.076 4.527 -0.004 0.000 0.356 559 F C 0.468 176.208 175.800 -0.101 0.000 1.110 559 F CA -0.235 57.693 58.000 -0.119 0.000 1.161 559 F CB 0.236 39.175 39.000 -0.103 0.000 1.115 559 F HN 0.423 nan 8.300 nan 0.000 0.507 560 R N 6.580 126.631 120.500 -0.749 0.000 2.686 560 R HA 0.566 4.904 4.340 -0.004 0.000 0.286 560 R C -1.550 174.308 176.300 -0.738 0.000 0.969 560 R CA -1.090 54.673 56.100 -0.561 0.000 0.898 560 R CB 2.187 32.324 30.300 -0.272 0.000 1.183 560 R HN 0.668 nan 8.270 nan 0.000 0.456 561 L N 4.151 125.118 121.223 -0.426 0.000 2.301 561 L HA 0.390 4.727 4.340 -0.004 0.000 0.278 561 L C -0.653 176.158 176.870 -0.099 0.000 1.022 561 L CA -0.607 54.033 54.840 -0.333 0.000 0.854 561 L CB 0.563 42.573 42.059 -0.082 0.000 1.226 561 L HN 0.786 nan 8.230 nan 0.000 0.429 562 N N 0.400 118.960 118.700 -0.233 0.000 3.506 562 N HA 0.158 4.896 4.740 -0.004 0.000 0.331 562 N C 0.187 175.302 175.510 -0.658 0.000 1.631 562 N CA -0.859 51.951 53.050 -0.400 0.000 0.786 562 N CB 0.134 38.531 38.487 -0.150 0.000 2.023 562 N HN 0.287 nan 8.380 nan 0.000 0.621 563 W N 0.638 121.329 121.300 -1.015 0.000 2.338 563 W HA 0.170 4.827 4.660 -0.004 0.000 0.304 563 W C 2.059 178.519 176.519 -0.097 0.000 1.212 563 W CA 2.857 59.865 57.345 -0.562 0.000 1.264 563 W CB -1.003 28.299 29.460 -0.263 0.000 1.142 563 W HN 0.696 nan 8.180 nan 0.000 0.512 564 A N -0.540 122.260 122.820 -0.033 0.000 1.972 564 A HA -0.200 4.117 4.320 -0.004 0.000 0.219 564 A C 1.938 179.413 177.584 -0.181 0.000 1.169 564 A CA 2.419 54.368 52.037 -0.146 0.000 0.635 564 A CB -1.268 17.727 19.000 -0.009 0.000 0.810 564 A HN 0.297 nan 8.150 nan 0.000 0.446 565 T N -1.176 113.277 114.554 -0.169 0.000 2.684 565 T HA -0.211 4.137 4.350 -0.004 0.000 0.267 565 T C 1.812 176.513 174.700 0.001 0.000 1.036 565 T CA 1.800 63.770 62.100 -0.217 0.000 1.148 565 T CB -0.479 68.068 68.868 -0.535 0.000 0.863 565 T HN 0.707 nan 8.240 nan 0.000 0.436 566 Y N 1.969 122.335 120.300 0.110 0.000 2.163 566 Y HA -0.004 4.543 4.550 -0.004 0.000 0.288 566 Y C 1.965 177.852 175.900 -0.022 0.000 1.136 566 Y CA 0.887 59.100 58.100 0.189 0.000 1.147 566 Y CB -0.788 37.790 38.460 0.196 0.000 0.987 566 Y HN 0.114 nan 8.280 nan 0.000 0.509 567 L N 0.307 121.123 121.223 -0.679 0.000 2.042 567 L HA -0.241 4.097 4.340 -0.004 0.000 0.210 567 L C 2.831 179.453 176.870 -0.413 0.000 1.076 567 L CA 1.432 55.802 54.840 -0.783 0.000 0.749 567 L CB -0.988 40.636 42.059 -0.724 0.000 0.893 567 L HN 0.430 nan 8.230 nan 0.000 0.432 568 A N -1.268 121.389 122.820 -0.273 0.000 1.872 568 A HA -0.182 4.136 4.320 -0.004 0.000 0.214 568 A C 2.515 180.024 177.584 -0.125 0.000 1.187 568 A CA 1.756 53.683 52.037 -0.182 0.000 0.614 568 A CB -0.657 18.231 19.000 -0.185 0.000 0.826 568 A HN 0.340 nan 8.150 nan 0.000 0.442 569 S N -1.121 114.525 115.700 -0.089 0.000 2.345 569 S HA -0.121 4.347 4.470 -0.004 0.000 0.220 569 S C 2.009 176.620 174.600 0.019 0.000 1.031 569 S CA 2.288 60.481 58.200 -0.011 0.000 0.996 569 S CB -0.443 62.803 63.200 0.078 0.000 0.882 569 S HN 0.569 nan 8.310 nan 0.000 0.445 570 T N 1.239 115.795 114.554 0.004 0.000 3.010 570 T HA 0.173 4.521 4.350 -0.004 0.000 0.252 570 T C 1.374 176.049 174.700 -0.041 0.000 1.047 570 T CA 0.610 62.730 62.100 0.035 0.000 1.140 570 T CB -0.095 68.886 68.868 0.189 0.000 0.885 570 T HN 0.314 nan 8.240 nan 0.000 0.464 571 E N 1.210 121.295 120.200 -0.192 0.000 2.474 571 E HA 0.171 4.519 4.350 -0.004 0.000 0.195 571 E C 0.050 176.626 176.600 -0.040 0.000 1.039 571 E CA -0.088 56.235 56.400 -0.129 0.000 0.881 571 E CB -0.322 29.232 29.700 -0.244 0.000 0.970 571 E HN 0.553 nan 8.360 nan 0.000 0.486 572 N N 0.651 119.337 118.700 -0.022 0.000 2.735 572 N HA -0.189 4.549 4.740 -0.004 0.000 0.248 572 N C -0.741 174.831 175.510 0.104 0.000 1.083 572 N CA 0.170 53.269 53.050 0.082 0.000 0.703 572 N CB -1.169 37.414 38.487 0.160 0.000 1.005 572 N HN 0.200 nan 8.380 nan 0.000 0.550 573 I N 1.045 121.606 120.570 -0.014 0.000 2.392 573 I HA 0.328 4.495 4.170 -0.004 0.000 0.295 573 I C 0.636 176.715 176.117 -0.063 0.000 0.985 573 I CA -0.794 60.501 61.300 -0.009 0.000 1.221 573 I CB 1.310 39.313 38.000 0.004 0.000 1.366 573 I HN 0.031 nan 8.210 nan 0.000 0.467 574 I N 6.565 127.106 120.570 -0.048 0.000 2.396 574 I HA 0.137 4.305 4.170 -0.004 0.000 0.289 574 I C -0.358 175.731 176.117 -0.047 0.000 1.056 574 I CA -0.337 60.889 61.300 -0.123 0.000 1.365 574 I CB 0.915 38.842 38.000 -0.121 0.000 1.407 574 I HN 0.205 nan 8.210 nan 0.000 0.509 575 V N 6.954 126.829 119.914 -0.066 0.000 2.347 575 V HA 0.605 4.722 4.120 -0.004 0.000 0.280 575 V C 0.399 176.517 176.094 0.040 0.000 1.021 575 V CA -0.402 61.915 62.300 0.029 0.000 0.847 575 V CB 1.109 32.945 31.823 0.021 0.000 0.990 575 V HN 0.838 nan 8.190 nan 0.000 0.444 576 A N 4.117 127.001 122.820 0.106 0.000 2.354 576 A HA 0.958 5.276 4.320 -0.004 0.000 0.321 576 A C -0.199 177.565 177.584 0.300 0.000 1.125 576 A CA -0.532 51.576 52.037 0.119 0.000 0.799 576 A CB 1.748 20.678 19.000 -0.118 0.000 1.293 576 A HN 0.689 nan 8.150 nan 0.000 0.452 577 S N -0.302 115.625 115.700 0.379 0.000 2.540 577 S HA 0.717 5.185 4.470 -0.004 0.000 0.275 577 S C -1.502 173.477 174.600 0.633 0.000 1.123 577 S CA -0.303 58.163 58.200 0.443 0.000 0.907 577 S CB 1.297 64.688 63.200 0.317 0.000 1.081 577 S HN 0.720 nan 8.310 nan 0.000 0.476 578 F N 1.778 121.977 119.950 0.415 0.000 2.556 578 F HA 0.514 5.039 4.527 -0.004 0.000 0.314 578 F C -1.362 174.645 175.800 0.346 0.000 1.106 578 F CA -0.783 57.475 58.000 0.430 0.000 0.911 578 F CB 1.561 40.756 39.000 0.326 0.000 1.190 578 F HN 0.396 nan 8.300 nan 0.000 0.448 579 D N 4.276 124.523 120.400 -0.255 0.000 2.473 579 D HA 0.356 4.994 4.640 -0.004 0.000 0.226 579 D C 0.344 176.468 176.300 -0.293 0.000 1.089 579 D CA 0.100 54.044 54.000 -0.094 0.000 0.883 579 D CB 1.363 42.227 40.800 0.106 0.000 1.029 579 D HN 0.750 nan 8.370 nan 0.000 0.517 580 G N 1.102 109.822 108.800 -0.134 0.000 2.695 580 G HA2 0.290 4.248 3.960 -0.004 0.000 0.213 580 G HA3 0.290 4.248 3.960 -0.004 0.000 0.213 580 G C 0.157 175.126 174.900 0.116 0.000 1.406 580 G CA -0.709 44.339 45.100 -0.087 0.000 1.049 580 G HN 0.276 nan 8.290 nan 0.000 0.573 581 R N -0.683 119.846 120.500 0.049 0.000 2.585 581 R HA 0.357 4.695 4.340 -0.004 0.000 0.275 581 R C 1.254 177.657 176.300 0.171 0.000 1.018 581 R CA 1.469 57.666 56.100 0.162 0.000 1.072 581 R CB 0.415 30.764 30.300 0.082 0.000 0.953 581 R HN 1.054 nan 8.270 nan 0.000 0.419 582 G N 1.097 109.992 108.800 0.159 0.000 2.258 582 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.233 582 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.233 582 G C 0.165 175.112 174.900 0.079 0.000 1.006 582 G CA 0.142 45.322 45.100 0.132 0.000 0.620 582 G HN 0.730 nan 8.290 nan 0.000 0.511 583 S N 0.428 116.185 115.700 0.095 0.000 2.589 583 S HA 0.633 5.101 4.470 -0.004 0.000 0.265 583 S C 0.871 175.464 174.600 -0.013 0.000 1.342 583 S CA 0.512 58.757 58.200 0.074 0.000 1.005 583 S CB 1.711 64.988 63.200 0.129 0.000 0.909 583 S HN 1.687 nan 8.310 nan 0.000 0.555 584 G N -0.950 107.795 108.800 -0.091 0.000 2.552 584 G HA2 0.501 4.459 3.960 -0.004 0.000 0.318 584 G HA3 0.501 4.459 3.960 -0.004 0.000 0.318 584 G C -0.961 173.782 174.900 -0.261 0.000 1.240 584 G CA -1.038 43.835 45.100 -0.378 0.000 1.002 584 G HN 0.935 nan 8.290 nan 0.000 0.493 585 Y N -2.352 117.950 120.300 0.003 0.000 4.668 585 Y HA -0.221 4.326 4.550 -0.004 0.000 0.234 585 Y C 1.418 177.320 175.900 0.004 0.000 1.056 585 Y CA 1.103 59.207 58.100 0.007 0.000 2.025 585 Y CB -2.215 36.264 38.460 0.032 0.000 1.613 585 Y HN 0.553 nan 8.280 nan 0.000 0.653 586 Q N -0.102 119.714 119.800 0.027 0.000 2.086 586 Q HA 0.517 4.855 4.340 -0.004 0.000 0.220 586 Q C 0.945 176.846 176.000 -0.166 0.000 0.792 586 Q CA 0.215 56.043 55.803 0.042 0.000 1.062 586 Q CB 1.698 30.455 28.738 0.032 0.000 1.198 586 Q HN 0.582 nan 8.270 nan 0.000 0.466 587 G N 0.740 109.305 108.800 -0.393 0.000 2.619 587 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.686 587 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.686 587 G C -0.557 173.977 174.900 -0.610 0.000 1.256 587 G CA -0.575 44.025 45.100 -0.834 0.000 0.826 587 G HN 0.080 nan 8.290 nan 0.000 0.619 588 D N 0.006 120.003 120.400 -0.671 0.000 2.219 588 D HA -0.054 4.584 4.640 -0.004 0.000 0.205 588 D C 2.259 178.276 176.300 -0.473 0.000 0.970 588 D CA 1.446 55.008 54.000 -0.730 0.000 0.851 588 D CB 0.034 40.395 40.800 -0.732 0.000 0.943 588 D HN 0.507 nan 8.370 nan 0.000 0.488 589 K N 0.922 121.111 120.400 -0.352 0.000 2.044 589 K HA -0.106 4.212 4.320 -0.004 0.000 0.210 589 K C 1.922 178.447 176.600 -0.126 0.000 1.049 589 K CA 1.114 57.284 56.287 -0.195 0.000 0.927 589 K CB -0.404 31.994 32.500 -0.169 0.000 0.713 589 K HN 0.151 nan 8.250 nan 0.000 0.443 590 I N -0.334 120.152 120.570 -0.141 0.000 2.339 590 I HA -0.140 4.028 4.170 -0.004 0.000 0.245 590 I C 2.571 178.676 176.117 -0.021 0.000 1.096 590 I CA 1.057 62.343 61.300 -0.023 0.000 1.408 590 I CB -0.178 37.822 38.000 -0.001 0.000 1.092 590 I HN 0.269 nan 8.210 nan 0.000 0.423 591 M N 0.213 119.726 119.600 -0.145 0.000 2.117 591 M HA -0.251 4.227 4.480 -0.004 0.000 0.262 591 M C 1.873 178.191 176.300 0.030 0.000 1.065 591 M CA 2.033 57.269 55.300 -0.107 0.000 1.114 591 M CB -0.332 32.094 32.600 -0.289 0.000 1.361 591 M HN 0.270 nan 8.290 nan 0.000 0.408 592 H N -0.764 118.189 119.070 -0.196 0.000 2.543 592 H HA 0.178 4.732 4.556 -0.004 0.000 0.269 592 H C 1.811 177.150 175.328 0.018 0.000 1.005 592 H CA 0.072 56.008 56.048 -0.187 0.000 1.146 592 H CB 0.132 29.694 29.762 -0.333 0.000 1.353 592 H HN 0.528 nan 8.280 nan 0.000 0.595 593 A N 1.487 124.407 122.820 0.167 0.000 2.019 593 A HA -0.123 4.195 4.320 -0.004 0.000 0.219 593 A C 2.022 179.807 177.584 0.335 0.000 1.164 593 A CA 1.031 53.181 52.037 0.188 0.000 0.644 593 A CB -0.619 18.441 19.000 0.101 0.000 0.805 593 A HN 0.581 nan 8.150 nan 0.000 0.449 594 I N -3.200 117.554 120.570 0.307 0.000 3.904 594 I HA 0.168 4.335 4.170 -0.004 0.000 0.333 594 I C 0.369 176.600 176.117 0.190 0.000 1.361 594 I CA -0.497 60.955 61.300 0.253 0.000 1.116 594 I CB -0.629 37.491 38.000 0.201 0.000 1.028 594 I HN 0.202 nan 8.210 nan 0.000 0.398 595 N N 2.928 121.781 118.700 0.256 0.000 2.357 595 N HA -0.077 4.660 4.740 -0.004 0.000 0.257 595 N C 0.253 175.810 175.510 0.077 0.000 1.250 595 N CA 0.296 53.496 53.050 0.249 0.000 0.862 595 N CB 0.333 38.913 38.487 0.155 0.000 1.066 595 N HN 0.394 nan 8.380 nan 0.000 0.468 596 R N 0.439 120.961 120.500 0.036 0.000 4.023 596 R HA -0.208 4.130 4.340 -0.004 0.000 0.368 596 R C -0.265 175.936 176.300 -0.164 0.000 1.187 596 R CA 0.965 57.038 56.100 -0.044 0.000 1.089 596 R CB -0.834 29.454 30.300 -0.020 0.000 1.574 596 R HN 0.564 nan 8.270 nan 0.000 0.564 597 R N 0.680 121.067 120.500 -0.188 0.000 2.772 597 R HA 0.349 4.687 4.340 -0.004 0.000 0.358 597 R C -0.489 175.777 176.300 -0.056 0.000 1.143 597 R CA -0.196 55.639 56.100 -0.442 0.000 1.153 597 R CB 0.544 30.591 30.300 -0.421 0.000 1.329 597 R HN 0.074 nan 8.270 nan 0.000 0.615 598 L N -0.448 120.830 121.223 0.091 0.000 2.483 598 L HA 0.228 4.565 4.340 -0.004 0.000 0.276 598 L C 1.312 178.441 176.870 0.431 0.000 1.213 598 L CA 0.904 55.838 54.840 0.156 0.000 0.843 598 L CB 0.561 42.484 42.059 -0.227 0.000 1.107 598 L HN 0.698 nan 8.230 nan 0.000 0.487 599 G N 0.800 109.881 108.800 0.468 0.000 2.143 599 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.249 599 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.249 599 G C 0.441 175.435 174.900 0.155 0.000 0.981 599 G CA 0.562 45.879 45.100 0.362 0.000 0.665 599 G HN 0.827 nan 8.290 nan 0.000 0.528 600 T N -3.341 111.263 114.554 0.084 0.000 3.257 600 T HA 0.471 4.819 4.350 -0.004 0.000 0.176 600 T C 1.651 176.320 174.700 -0.051 0.000 0.892 600 T CA 0.906 62.945 62.100 -0.101 0.000 1.147 600 T CB -0.090 68.533 68.868 -0.409 0.000 1.840 600 T HN 0.145 nan 8.240 nan 0.000 0.375 601 F N 3.496 123.487 119.950 0.067 0.000 2.161 601 F HA 0.046 4.571 4.527 -0.004 0.000 0.300 601 F C 2.792 178.628 175.800 0.060 0.000 1.089 601 F CA 1.298 59.327 58.000 0.048 0.000 1.282 601 F CB -0.671 38.355 39.000 0.043 0.000 1.010 601 F HN 0.518 nan 8.300 nan 0.000 0.485 602 E N 0.639 121.001 120.200 0.270 0.000 2.204 602 E HA -0.112 4.236 4.350 -0.004 0.000 0.194 602 E C 2.074 178.780 176.600 0.177 0.000 0.989 602 E CA 1.309 57.843 56.400 0.223 0.000 0.824 602 E CB -0.953 28.886 29.700 0.233 0.000 0.756 602 E HN 0.308 nan 8.360 nan 0.000 0.477 603 V N 1.633 121.625 119.914 0.130 0.000 2.302 603 V HA -0.187 3.931 4.120 -0.004 0.000 0.243 603 V C 2.287 178.412 176.094 0.051 0.000 1.036 603 V CA 2.009 64.337 62.300 0.047 0.000 1.020 603 V CB -0.532 31.274 31.823 -0.029 0.000 0.657 603 V HN 0.199 nan 8.190 nan 0.000 0.453 604 E N 0.255 120.500 120.200 0.075 0.000 2.077 604 E HA -0.243 4.105 4.350 -0.004 0.000 0.193 604 E C 1.878 178.502 176.600 0.041 0.000 0.989 604 E CA 1.530 57.970 56.400 0.067 0.000 0.800 604 E CB -0.218 29.551 29.700 0.114 0.000 0.746 604 E HN 0.553 nan 8.360 nan 0.000 0.452 605 D N 0.275 120.715 120.400 0.067 0.000 2.218 605 D HA -0.143 4.495 4.640 -0.004 0.000 0.204 605 D C 1.895 178.161 176.300 -0.057 0.000 0.976 605 D CA 0.832 54.838 54.000 0.009 0.000 0.853 605 D CB -0.079 40.781 40.800 0.100 0.000 0.939 605 D HN 0.035 nan 8.370 nan 0.000 0.481 606 Q N 0.221 120.052 119.800 0.053 0.000 2.083 606 Q HA 0.025 4.363 4.340 -0.004 0.000 0.198 606 Q C 2.163 178.179 176.000 0.026 0.000 0.969 606 Q CA 0.767 56.607 55.803 0.061 0.000 0.838 606 Q CB -0.168 28.633 28.738 0.105 0.000 0.900 606 Q HN 0.331 nan 8.270 nan 0.000 0.436 607 I N 0.049 120.656 120.570 0.062 0.000 2.202 607 I HA -0.218 3.950 4.170 -0.004 0.000 0.242 607 I C 2.139 178.209 176.117 -0.078 0.000 1.091 607 I CA 1.257 62.639 61.300 0.138 0.000 1.368 607 I CB -0.241 37.830 38.000 0.119 0.000 1.058 607 I HN 0.202 nan 8.210 nan 0.000 0.410 608 E N 1.569 121.669 120.200 -0.166 0.000 2.153 608 E HA -0.194 4.154 4.350 -0.004 0.000 0.194 608 E C 2.072 178.371 176.600 -0.501 0.000 0.988 608 E CA 1.590 57.827 56.400 -0.271 0.000 0.811 608 E CB -0.168 29.390 29.700 -0.235 0.000 0.746 608 E HN 0.419 nan 8.360 nan 0.000 0.466 609 A N 0.788 123.168 122.820 -0.733 0.000 1.902 609 A HA -0.062 4.255 4.320 -0.004 0.000 0.217 609 A C 2.464 179.348 177.584 -1.166 0.000 1.181 609 A CA 2.183 53.443 52.037 -1.295 0.000 0.623 609 A CB -1.060 17.055 19.000 -1.476 0.000 0.818 609 A HN 0.383 nan 8.150 nan 0.000 0.443 610 A N -0.179 122.324 122.820 -0.529 0.000 1.902 610 A HA -0.174 4.143 4.320 -0.004 0.000 0.217 610 A C 2.247 179.644 177.584 -0.312 0.000 1.181 610 A CA 1.539 53.413 52.037 -0.271 0.000 0.623 610 A CB -0.483 18.395 19.000 -0.204 0.000 0.818 610 A HN 0.565 nan 8.150 nan 0.000 0.443 611 R N -0.765 119.538 120.500 -0.329 0.000 2.073 611 R HA -0.135 4.202 4.340 -0.004 0.000 0.234 611 R C 2.407 178.548 176.300 -0.265 0.000 1.134 611 R CA 1.446 57.390 56.100 -0.260 0.000 0.952 611 R CB -0.360 29.810 30.300 -0.218 0.000 0.850 611 R HN 0.559 nan 8.270 nan 0.000 0.433 612 Q N -0.071 119.502 119.800 -0.378 0.000 2.084 612 Q HA -0.141 4.197 4.340 -0.004 0.000 0.202 612 Q C 2.071 177.929 176.000 -0.236 0.000 0.978 612 Q CA 1.421 57.018 55.803 -0.343 0.000 0.844 612 Q CB -0.211 28.242 28.738 -0.475 0.000 0.898 612 Q HN 0.285 nan 8.270 nan 0.000 0.426 613 F N 1.308 121.090 119.950 -0.280 0.000 2.146 613 F HA -0.153 4.371 4.527 -0.004 0.000 0.298 613 F C 2.746 178.348 175.800 -0.329 0.000 1.096 613 F CA 1.233 59.058 58.000 -0.291 0.000 1.275 613 F CB -1.360 37.525 39.000 -0.192 0.000 1.008 613 F HN 0.080 nan 8.300 nan 0.000 0.480 614 S N 0.173 115.830 115.700 -0.072 0.000 2.368 614 S HA -0.219 4.248 4.470 -0.004 0.000 0.225 614 S C 1.818 176.305 174.600 -0.189 0.000 1.030 614 S CA 1.093 59.209 58.200 -0.141 0.000 0.999 614 S CB -0.757 62.367 63.200 -0.125 0.000 0.844 614 S HN 0.375 nan 8.310 nan 0.000 0.459 615 K N 0.828 121.127 120.400 -0.168 0.000 2.442 615 K HA 0.119 4.437 4.320 -0.004 0.000 0.199 615 K C 1.818 178.308 176.600 -0.184 0.000 1.044 615 K CA 1.066 57.262 56.287 -0.152 0.000 0.941 615 K CB -0.392 32.032 32.500 -0.127 0.000 0.759 615 K HN 0.495 nan 8.250 nan 0.000 0.472 616 M N -0.801 118.622 119.600 -0.295 0.000 2.562 616 M HA 0.002 4.480 4.480 -0.004 0.000 0.257 616 M C 1.283 177.321 176.300 -0.435 0.000 1.099 616 M CA 1.036 56.102 55.300 -0.389 0.000 1.099 616 M CB 0.188 32.405 32.600 -0.639 0.000 1.427 616 M HN 0.466 nan 8.290 nan 0.000 0.489 617 G N 1.092 109.668 108.800 -0.373 0.000 2.199 617 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.254 617 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.254 617 G C 0.378 175.231 174.900 -0.078 0.000 0.982 617 G CA 0.402 45.390 45.100 -0.186 0.000 0.632 617 G HN 0.609 nan 8.290 nan 0.000 0.529 618 F N 0.114 120.128 119.950 0.106 0.000 2.684 618 F HA 0.772 5.297 4.527 -0.004 0.000 0.298 618 F C 0.081 176.003 175.800 0.205 0.000 1.120 618 F CA -1.646 56.458 58.000 0.173 0.000 1.332 618 F CB 0.010 39.187 39.000 0.296 0.000 0.986 618 F HN 0.078 nan 8.300 nan 0.000 0.524 619 V N 1.114 121.089 119.914 0.101 0.000 2.540 619 V HA 0.252 4.370 4.120 -0.004 0.000 0.302 619 V C -0.820 175.282 176.094 0.014 0.000 1.035 619 V CA -0.787 61.574 62.300 0.102 0.000 0.873 619 V CB 1.863 33.690 31.823 0.007 0.000 0.992 619 V HN 0.095 nan 8.190 nan 0.000 0.428 620 D N 3.714 124.112 120.400 -0.003 0.000 2.374 620 D HA 0.112 4.749 4.640 -0.004 0.000 0.240 620 D C 1.134 177.395 176.300 -0.064 0.000 1.229 620 D CA 0.056 54.024 54.000 -0.053 0.000 0.895 620 D CB 0.571 41.316 40.800 -0.092 0.000 1.046 620 D HN 0.439 nan 8.370 nan 0.000 0.498 621 N N 3.174 121.837 118.700 -0.062 0.000 2.334 621 N HA -0.163 4.575 4.740 -0.004 0.000 0.187 621 N C 0.954 176.432 175.510 -0.054 0.000 1.016 621 N CA 0.876 53.884 53.050 -0.070 0.000 0.879 621 N CB 0.189 38.632 38.487 -0.073 0.000 0.965 621 N HN 0.539 nan 8.380 nan 0.000 0.438 622 K N 0.333 120.710 120.400 -0.039 0.000 2.418 622 K HA 0.077 4.395 4.320 -0.004 0.000 0.195 622 K C 0.299 176.916 176.600 0.028 0.000 1.035 622 K CA 0.464 56.745 56.287 -0.009 0.000 1.003 622 K CB 0.327 32.821 32.500 -0.009 0.000 0.793 622 K HN 0.027 nan 8.250 nan 0.000 0.494 623 R N 1.167 121.659 120.500 -0.014 0.000 2.748 623 R HA 0.346 4.684 4.340 -0.004 0.000 0.283 623 R C -1.016 175.293 176.300 0.015 0.000 1.507 623 R CA -0.072 56.030 56.100 0.004 0.000 1.666 623 R CB 0.622 30.746 30.300 -0.293 0.000 1.237 623 R HN -0.012 nan 8.270 nan 0.000 0.633 624 I N 1.132 121.817 120.570 0.191 0.000 2.389 624 I HA 0.578 4.746 4.170 -0.004 0.000 0.288 624 I C 0.036 176.448 176.117 0.491 0.000 0.999 624 I CA -0.769 60.672 61.300 0.234 0.000 1.129 624 I CB 1.833 39.815 38.000 -0.030 0.000 1.288 624 I HN 0.344 nan 8.210 nan 0.000 0.444 625 A N 7.202 130.416 122.820 0.657 0.000 2.344 625 A HA 0.933 5.251 4.320 -0.004 0.000 0.307 625 A C -1.030 176.906 177.584 0.587 0.000 1.151 625 A CA -0.675 51.712 52.037 0.583 0.000 0.842 625 A CB 2.105 21.315 19.000 0.351 0.000 1.350 625 A HN 0.730 nan 8.150 nan 0.000 0.459 626 I N 0.254 121.067 120.570 0.405 0.000 2.722 626 I HA 0.638 4.805 4.170 -0.004 0.000 0.292 626 I C -1.995 174.355 176.117 0.388 0.000 1.267 626 I CA -0.540 60.928 61.300 0.280 0.000 1.036 626 I CB 1.575 39.438 38.000 -0.228 0.000 1.281 626 I HN 0.943 nan 8.210 nan 0.000 0.423 627 W N 7.223 128.645 121.300 0.202 0.000 3.118 627 W HA 0.874 5.532 4.660 -0.004 0.000 0.328 627 W C -1.452 175.218 176.519 0.251 0.000 1.239 627 W CA -1.045 56.438 57.345 0.230 0.000 1.176 627 W CB 1.180 30.835 29.460 0.324 0.000 1.433 627 W HN 0.825 nan 8.180 nan 0.000 0.562 628 G N 0.812 109.524 108.800 -0.147 0.000 2.601 628 G HA2 0.468 4.426 3.960 -0.004 0.000 0.291 628 G HA3 0.468 4.426 3.960 -0.004 0.000 0.291 628 G C -2.803 172.032 174.900 -0.108 0.000 1.456 628 G CA -0.720 44.147 45.100 -0.388 0.000 0.804 628 G HN 0.615 nan 8.290 nan 0.000 0.499 629 W N 1.033 122.184 121.300 -0.248 0.000 2.736 629 W HA 0.622 5.280 4.660 -0.004 0.000 0.335 629 W C 0.768 177.318 176.519 0.051 0.000 1.059 629 W CA 0.378 57.678 57.345 -0.075 0.000 1.226 629 W CB 1.899 31.316 29.460 -0.071 0.000 1.416 629 W HN 1.233 nan 8.180 nan 0.000 0.505 630 S N 2.421 118.378 115.700 0.427 0.000 4.116 630 S HA -0.422 4.045 4.470 -0.004 0.000 0.623 630 S C 1.079 175.809 174.600 0.217 0.000 1.933 630 S CA 1.700 60.166 58.200 0.443 0.000 4.224 630 S CB -1.841 61.766 63.200 0.678 0.000 0.208 630 S HN 0.734 nan 8.310 nan 0.000 0.527 631 Y N 2.441 122.753 120.300 0.020 0.000 2.256 631 Y HA 0.039 4.586 4.550 -0.004 0.000 0.288 631 Y C 2.330 178.112 175.900 -0.195 0.000 1.155 631 Y CA 2.512 60.492 58.100 -0.200 0.000 1.203 631 Y CB -0.988 37.125 38.460 -0.578 0.000 0.980 631 Y HN 0.525 nan 8.280 nan 0.000 0.530 632 G N -0.976 107.801 108.800 -0.038 0.000 2.432 632 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.219 632 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.219 632 G C 1.916 176.838 174.900 0.036 0.000 1.135 632 G CA 0.735 45.851 45.100 0.026 0.000 0.767 632 G HN 0.565 nan 8.290 nan 0.000 0.550 633 G N -0.150 108.689 108.800 0.064 0.000 2.402 633 G HA2 -0.225 3.732 3.960 -0.004 0.000 0.216 633 G HA3 -0.225 3.732 3.960 -0.004 0.000 0.216 633 G C 1.594 176.524 174.900 0.050 0.000 1.162 633 G CA 1.086 46.215 45.100 0.049 0.000 0.777 633 G HN 0.409 nan 8.290 nan 0.000 0.539 634 Y N 1.462 121.670 120.300 -0.154 0.000 2.070 634 Y HA -0.159 4.389 4.550 -0.004 0.000 0.280 634 Y C 2.810 178.617 175.900 -0.155 0.000 1.148 634 Y CA 1.761 59.718 58.100 -0.238 0.000 1.125 634 Y CB -0.606 37.559 38.460 -0.493 0.000 0.975 634 Y HN 0.025 nan 8.280 nan 0.000 0.492 635 V N -0.136 119.647 119.914 -0.219 0.000 2.332 635 V HA -0.354 3.764 4.120 -0.004 0.000 0.248 635 V C 2.335 178.310 176.094 -0.198 0.000 1.055 635 V CA 2.471 64.628 62.300 -0.237 0.000 1.038 635 V CB -1.248 30.581 31.823 0.010 0.000 0.651 635 V HN 0.522 nan 8.190 nan 0.000 0.450 636 T N -0.105 114.389 114.554 -0.100 0.000 2.684 636 T HA -0.206 4.141 4.350 -0.004 0.000 0.267 636 T C 2.130 176.769 174.700 -0.102 0.000 1.036 636 T CA 2.033 64.085 62.100 -0.079 0.000 1.148 636 T CB -0.295 68.607 68.868 0.055 0.000 0.863 636 T HN 0.539 nan 8.240 nan 0.000 0.436 637 S N 1.110 116.788 115.700 -0.037 0.000 2.368 637 S HA -0.031 4.436 4.470 -0.004 0.000 0.225 637 S C 2.148 176.663 174.600 -0.142 0.000 1.030 637 S CA 0.950 59.151 58.200 0.001 0.000 0.999 637 S CB -0.296 62.969 63.200 0.109 0.000 0.844 637 S HN 0.310 nan 8.310 nan 0.000 0.459 638 M N 0.963 120.399 119.600 -0.274 0.000 2.117 638 M HA -0.033 4.444 4.480 -0.004 0.000 0.262 638 M C 2.220 178.360 176.300 -0.266 0.000 1.065 638 M CA 1.098 56.217 55.300 -0.302 0.000 1.114 638 M CB -1.457 30.861 32.600 -0.470 0.000 1.361 638 M HN 0.178 nan 8.290 nan 0.000 0.408 639 V N 0.544 120.291 119.914 -0.277 0.000 2.307 639 V HA -0.226 3.891 4.120 -0.004 0.000 0.245 639 V C 2.500 178.400 176.094 -0.324 0.000 1.045 639 V CA 1.321 63.457 62.300 -0.273 0.000 1.024 639 V CB -0.592 31.002 31.823 -0.382 0.000 0.651 639 V HN 0.402 nan 8.190 nan 0.000 0.449 640 L N 0.375 121.339 121.223 -0.431 0.000 2.191 640 L HA -0.047 4.291 4.340 -0.004 0.000 0.212 640 L C 2.145 178.465 176.870 -0.917 0.000 1.103 640 L CA 1.448 55.939 54.840 -0.581 0.000 0.769 640 L CB -0.663 41.018 42.059 -0.631 0.000 0.908 640 L HN 0.484 nan 8.230 nan 0.000 0.438 641 G N -1.443 106.817 108.800 -0.900 0.000 3.337 641 G HA2 -0.019 3.939 3.960 -0.004 0.000 0.246 641 G HA3 -0.019 3.939 3.960 -0.004 0.000 0.246 641 G C 1.421 176.150 174.900 -0.286 0.000 1.131 641 G CA 0.534 45.197 45.100 -0.728 0.000 0.773 641 G HN 0.403 nan 8.290 nan 0.000 0.544 642 S N -0.688 114.873 115.700 -0.232 0.000 2.496 642 S HA 0.293 4.761 4.470 -0.004 0.000 0.224 642 S C 1.971 176.524 174.600 -0.079 0.000 0.996 642 S CA 1.020 59.150 58.200 -0.118 0.000 0.927 642 S CB -0.098 63.053 63.200 -0.082 0.000 0.774 642 S HN 1.353 nan 8.310 nan 0.000 0.524 643 G N 1.393 110.137 108.800 -0.093 0.000 2.148 643 G HA2 -0.351 3.607 3.960 -0.004 0.000 0.254 643 G HA3 -0.351 3.607 3.960 -0.004 0.000 0.254 643 G C 0.993 175.878 174.900 -0.025 0.000 0.981 643 G CA 0.959 46.027 45.100 -0.053 0.000 0.670 643 G HN 1.288 nan 8.290 nan 0.000 0.528 644 S N -0.456 115.239 115.700 -0.008 0.000 2.423 644 S HA 0.282 4.750 4.470 -0.004 0.000 0.231 644 S C 2.616 177.214 174.600 -0.003 0.000 1.014 644 S CA 1.741 59.946 58.200 0.008 0.000 0.965 644 S CB -0.325 62.907 63.200 0.054 0.000 0.785 644 S HN 2.426 nan 8.310 nan 0.000 0.495 645 G N 0.038 108.843 108.800 0.008 0.000 2.189 645 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.267 645 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.267 645 G C 0.833 175.710 174.900 -0.038 0.000 0.975 645 G CA 0.505 45.601 45.100 -0.006 0.000 0.644 645 G HN 0.734 nan 8.290 nan 0.000 0.537 646 V N -0.417 119.447 119.914 -0.084 0.000 2.453 646 V HA 0.200 4.317 4.120 -0.004 0.000 0.247 646 V C 1.294 177.125 176.094 -0.439 0.000 1.048 646 V CA 1.600 63.709 62.300 -0.318 0.000 1.049 646 V CB -0.403 31.094 31.823 -0.544 0.000 0.672 646 V HN 0.323 nan 8.190 nan 0.000 0.457 647 F N -0.095 119.868 119.950 0.022 0.000 2.421 647 F HA 0.387 4.911 4.527 -0.004 0.000 0.337 647 F C 1.126 176.969 175.800 0.072 0.000 1.105 647 F CA -0.500 57.540 58.000 0.066 0.000 1.049 647 F CB 1.337 40.376 39.000 0.066 0.000 1.139 647 F HN -0.249 nan 8.300 nan 0.000 0.479 648 K N 1.671 122.231 120.400 0.266 0.000 2.098 648 K HA 0.084 4.401 4.320 -0.004 0.000 0.203 648 K C -0.068 176.654 176.600 0.204 0.000 1.051 648 K CA 0.939 57.343 56.287 0.197 0.000 0.957 648 K CB 0.231 32.846 32.500 0.191 0.000 0.738 648 K HN 0.798 nan 8.250 nan 0.000 0.447 649 c N -2.412 116.342 118.600 0.257 0.000 3.318 649 c HA 0.909 5.476 4.570 -0.004 0.000 0.322 649 c C -0.148 174.158 174.090 0.360 0.000 1.398 649 c CA -0.666 55.838 56.329 0.292 0.000 1.339 649 c CB 1.114 43.723 42.510 0.164 0.000 1.668 649 c HN 0.357 nan 8.230 nan 0.000 0.462 650 G N -0.043 109.035 108.800 0.463 0.000 2.677 650 G HA2 0.732 4.690 3.960 -0.004 0.000 0.291 650 G HA3 0.732 4.690 3.960 -0.004 0.000 0.291 650 G C -1.967 173.173 174.900 0.399 0.000 1.435 650 G CA -0.701 44.640 45.100 0.401 0.000 0.826 650 G HN 0.981 nan 8.290 nan 0.000 0.491 651 I N 0.856 121.632 120.570 0.344 0.000 2.478 651 I HA 0.582 4.749 4.170 -0.004 0.000 0.287 651 I C 0.125 176.382 176.117 0.234 0.000 1.042 651 I CA -0.932 60.472 61.300 0.174 0.000 1.067 651 I CB 2.140 40.241 38.000 0.168 0.000 1.233 651 I HN 0.640 nan 8.210 nan 0.000 0.431 652 A N 6.636 129.497 122.820 0.069 0.000 2.303 652 A HA 0.795 5.112 4.320 -0.004 0.000 0.320 652 A C -0.681 176.838 177.584 -0.108 0.000 1.192 652 A CA -0.499 51.578 52.037 0.067 0.000 0.821 652 A CB 1.148 20.247 19.000 0.166 0.000 1.188 652 A HN 0.444 nan 8.150 nan 0.000 0.492 653 V N 2.013 121.817 119.914 -0.183 0.000 2.417 653 V HA 0.581 4.699 4.120 -0.004 0.000 0.291 653 V C 0.933 176.657 176.094 -0.616 0.000 1.024 653 V CA 0.257 62.230 62.300 -0.545 0.000 0.861 653 V CB 0.914 32.114 31.823 -1.039 0.000 0.985 653 V HN 2.086 nan 8.190 nan 0.000 0.436 654 A N 5.444 127.856 122.820 -0.679 0.000 2.415 654 A HA -0.106 4.212 4.320 -0.004 0.000 0.292 654 A C -1.723 175.711 177.584 -0.251 0.000 1.452 654 A CA 0.452 51.996 52.037 -0.822 0.000 0.750 654 A CB -1.560 17.124 19.000 -0.527 0.000 1.099 654 A HN 0.622 nan 8.150 nan 0.000 0.391 655 P HA 0.423 nan 4.420 nan 0.000 0.277 655 P C 0.187 177.468 177.300 -0.031 0.000 1.240 655 P CA -0.214 62.877 63.100 -0.016 0.000 0.798 655 P CB 1.361 33.073 31.700 0.020 0.000 0.979 656 V N 2.145 121.941 119.914 -0.197 0.000 2.732 656 V HA 0.120 4.238 4.120 -0.004 0.000 0.297 656 V C 1.651 177.545 176.094 -0.335 0.000 1.060 656 V CA 0.895 62.921 62.300 -0.457 0.000 1.038 656 V CB 0.951 32.099 31.823 -1.126 0.000 1.003 656 V HN 0.856 nan 8.190 nan 0.000 0.481 657 S N 3.129 118.646 115.700 -0.304 0.000 2.631 657 S HA 0.257 4.724 4.470 -0.004 0.000 0.246 657 S C 0.382 174.803 174.600 -0.300 0.000 1.068 657 S CA -0.339 57.764 58.200 -0.162 0.000 0.995 657 S CB 0.334 63.508 63.200 -0.042 0.000 0.944 657 S HN 0.848 nan 8.310 nan 0.000 0.529 658 R N -1.022 119.167 120.500 -0.518 0.000 2.522 658 R HA 0.450 4.788 4.340 -0.004 0.000 0.273 658 R C -0.894 175.073 176.300 -0.556 0.000 1.133 658 R CA -0.823 54.932 56.100 -0.575 0.000 0.969 658 R CB -0.249 29.630 30.300 -0.703 0.000 1.235 658 R HN 0.125 nan 8.270 nan 0.000 0.433 659 W N 1.687 122.902 121.300 -0.141 0.000 2.364 659 W HA -0.063 4.595 4.660 -0.004 0.000 0.281 659 W C 1.178 177.834 176.519 0.228 0.000 1.219 659 W CA 1.023 58.387 57.345 0.031 0.000 1.220 659 W CB 0.209 29.626 29.460 -0.073 0.000 1.127 659 W HN 0.729 nan 8.180 nan 0.000 0.556 660 E N -0.973 119.401 120.200 0.289 0.000 2.333 660 E HA -0.202 4.146 4.350 -0.004 0.000 0.198 660 E C 1.311 178.045 176.600 0.223 0.000 1.007 660 E CA 0.848 57.348 56.400 0.166 0.000 0.845 660 E CB -0.240 29.445 29.700 -0.025 0.000 0.766 660 E HN 0.384 nan 8.360 nan 0.000 0.507 661 Y N -1.513 118.878 120.300 0.152 0.000 2.517 661 Y HA 0.048 4.596 4.550 -0.004 0.000 0.281 661 Y C 0.742 176.755 175.900 0.188 0.000 1.125 661 Y CA -0.275 57.890 58.100 0.109 0.000 1.283 661 Y CB -0.461 38.007 38.460 0.012 0.000 1.042 661 Y HN 0.019 nan 8.280 nan 0.000 0.547 662 Y N 1.931 122.396 120.300 0.274 0.000 2.340 662 Y HA 0.278 4.825 4.550 -0.004 0.000 0.327 662 Y C 0.378 176.509 175.900 0.385 0.000 1.321 662 Y CA -2.018 56.256 58.100 0.290 0.000 1.433 662 Y CB 0.331 38.990 38.460 0.332 0.000 1.373 662 Y HN 0.190 nan 8.280 nan 0.000 0.538 663 D N -0.638 119.474 120.400 -0.479 0.000 2.357 663 D HA 0.106 4.744 4.640 -0.004 0.000 0.242 663 D C 0.976 177.281 176.300 0.008 0.000 1.153 663 D CA 0.333 54.162 54.000 -0.285 0.000 0.918 663 D CB 0.875 41.272 40.800 -0.671 0.000 1.181 663 D HN 0.484 nan 8.370 nan 0.000 0.435 664 S N 1.056 116.763 115.700 0.012 0.000 2.353 664 S HA -0.243 4.224 4.470 -0.004 0.000 0.222 664 S C 1.931 176.578 174.600 0.077 0.000 1.035 664 S CA 1.308 59.563 58.200 0.093 0.000 1.025 664 S CB -1.099 62.161 63.200 0.100 0.000 0.902 664 S HN 0.437 nan 8.310 nan 0.000 0.440 665 V N 1.059 120.953 119.914 -0.034 0.000 2.231 665 V HA -0.206 3.911 4.120 -0.004 0.000 0.248 665 V C 2.333 178.368 176.094 -0.099 0.000 1.054 665 V CA 2.385 64.568 62.300 -0.196 0.000 1.015 665 V CB -1.172 30.380 31.823 -0.451 0.000 0.638 665 V HN 0.611 nan 8.190 nan 0.000 0.444 666 Y N 1.394 121.657 120.300 -0.061 0.000 2.133 666 Y HA -0.231 4.316 4.550 -0.004 0.000 0.287 666 Y C 2.739 178.680 175.900 0.070 0.000 1.134 666 Y CA 2.339 60.488 58.100 0.081 0.000 1.133 666 Y CB -0.727 37.980 38.460 0.411 0.000 0.987 666 Y HN 0.255 nan 8.280 nan 0.000 0.502 667 T N 0.413 115.257 114.554 0.483 0.000 2.652 667 T HA -0.215 4.133 4.350 -0.004 0.000 0.267 667 T C 1.559 176.277 174.700 0.031 0.000 1.039 667 T CA 1.964 64.252 62.100 0.313 0.000 1.153 667 T CB -0.370 68.806 68.868 0.514 0.000 0.863 667 T HN 0.455 nan 8.240 nan 0.000 0.428 668 E N 0.542 120.780 120.200 0.064 0.000 2.268 668 E HA -0.093 4.255 4.350 -0.004 0.000 0.195 668 E C 2.331 178.839 176.600 -0.152 0.000 0.995 668 E CA 0.437 56.856 56.400 0.031 0.000 0.836 668 E CB -0.121 29.636 29.700 0.095 0.000 0.763 668 E HN 0.365 nan 8.360 nan 0.000 0.491 669 R N 0.142 120.402 120.500 -0.399 0.000 2.096 669 R HA -0.173 4.165 4.340 -0.004 0.000 0.235 669 R C 1.257 177.081 176.300 -0.792 0.000 1.127 669 R CA 1.502 57.195 56.100 -0.678 0.000 0.968 669 R CB 0.016 29.625 30.300 -1.153 0.000 0.861 669 R HN 0.216 nan 8.270 nan 0.000 0.440 670 Y N -1.930 118.077 120.300 -0.488 0.000 2.524 670 Y HA 0.218 4.766 4.550 -0.004 0.000 0.270 670 Y C 1.698 177.415 175.900 -0.305 0.000 1.094 670 Y CA 0.096 57.894 58.100 -0.503 0.000 1.276 670 Y CB 0.433 38.450 38.460 -0.739 0.000 1.130 670 Y HN -0.032 nan 8.280 nan 0.000 0.536 671 M N -0.499 118.996 119.600 -0.176 0.000 2.308 671 M HA 0.360 4.838 4.480 -0.004 0.000 0.269 671 M C 1.113 177.421 176.300 0.013 0.000 1.040 671 M CA 0.742 55.927 55.300 -0.192 0.000 1.024 671 M CB -0.261 32.009 32.600 -0.550 0.000 1.465 671 M HN 0.345 nan 8.290 nan 0.000 0.517 672 G N 1.999 110.830 108.800 0.052 0.000 2.569 672 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.259 672 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.259 672 G C -0.453 174.593 174.900 0.244 0.000 1.263 672 G CA -0.636 44.535 45.100 0.119 0.000 0.928 672 G HN 0.359 nan 8.290 nan 0.000 0.572 673 L N 2.210 123.551 121.223 0.196 0.000 2.325 673 L HA 0.450 4.788 4.340 -0.004 0.000 0.279 673 L C -1.468 175.436 176.870 0.056 0.000 1.054 673 L CA -1.812 53.103 54.840 0.125 0.000 0.804 673 L CB 2.077 44.163 42.059 0.046 0.000 1.200 673 L HN 0.456 nan 8.230 nan 0.000 0.436 674 P HA 0.069 nan 4.420 nan 0.000 0.220 674 P C -0.624 176.550 177.300 -0.211 0.000 1.806 674 P CA -0.080 62.653 63.100 -0.610 0.000 0.976 674 P CB -0.382 30.633 31.700 -1.142 0.000 1.952 675 T N -2.658 111.858 114.554 -0.064 0.000 2.907 675 T HA 0.448 4.796 4.350 -0.004 0.000 0.292 675 T C -2.056 172.651 174.700 0.012 0.000 1.043 675 T CA -2.397 59.686 62.100 -0.027 0.000 1.003 675 T CB 2.125 70.983 68.868 -0.017 0.000 1.084 675 T HN -0.211 nan 8.240 nan 0.000 0.483 676 P HA -0.123 nan 4.420 nan 0.000 0.218 676 P C 0.627 177.943 177.300 0.028 0.000 1.148 676 P CA 1.310 64.424 63.100 0.023 0.000 0.822 676 P CB 0.088 31.797 31.700 0.015 0.000 0.784 677 E N -0.990 119.223 120.200 0.021 0.000 2.511 677 E HA -0.039 4.309 4.350 -0.004 0.000 0.196 677 E C 1.234 177.852 176.600 0.031 0.000 1.066 677 E CA 0.592 57.005 56.400 0.021 0.000 0.871 677 E CB -0.319 29.388 29.700 0.013 0.000 0.863 677 E HN 0.342 nan 8.360 nan 0.000 0.520 678 D N -0.609 119.818 120.400 0.045 0.000 3.041 678 D HA 0.068 4.705 4.640 -0.004 0.000 0.201 678 D C 0.099 176.457 176.300 0.097 0.000 1.432 678 D CA -0.005 54.034 54.000 0.064 0.000 1.469 678 D CB -0.106 40.734 40.800 0.067 0.000 1.051 678 D HN -0.026 nan 8.370 nan 0.000 0.203 679 N N 0.008 118.800 118.700 0.153 0.000 2.299 679 N HA 0.117 4.854 4.740 -0.004 0.000 0.246 679 N C 1.031 176.735 175.510 0.323 0.000 1.254 679 N CA -0.075 53.109 53.050 0.223 0.000 0.879 679 N CB 0.254 38.886 38.487 0.241 0.000 1.214 679 N HN 0.129 nan 8.380 nan 0.000 0.510 680 L N 0.571 121.917 121.223 0.205 0.000 2.021 680 L HA -0.160 4.178 4.340 -0.004 0.000 0.215 680 L C 1.196 178.179 176.870 0.187 0.000 1.074 680 L CA 2.030 56.966 54.840 0.160 0.000 0.760 680 L CB -0.487 41.601 42.059 0.047 0.000 0.889 680 L HN 0.134 nan 8.230 nan 0.000 0.433 681 D N -1.487 119.001 120.400 0.147 0.000 2.133 681 D HA -0.258 4.380 4.640 -0.004 0.000 0.195 681 D C 2.110 178.503 176.300 0.156 0.000 0.997 681 D CA 1.776 55.851 54.000 0.126 0.000 0.840 681 D CB -0.226 40.636 40.800 0.103 0.000 0.947 681 D HN 0.593 nan 8.370 nan 0.000 0.452 682 H N -1.018 118.116 119.070 0.107 0.000 2.462 682 H HA -0.048 4.506 4.556 -0.004 0.000 0.292 682 H C 1.659 177.054 175.328 0.110 0.000 1.049 682 H CA 1.146 57.236 56.048 0.069 0.000 1.334 682 H CB -0.287 29.479 29.762 0.006 0.000 1.404 682 H HN 0.167 nan 8.280 nan 0.000 0.544 683 Y N 0.210 120.494 120.300 -0.028 0.000 2.181 683 Y HA -0.157 4.391 4.550 -0.004 0.000 0.288 683 Y C 2.276 178.138 175.900 -0.063 0.000 1.146 683 Y CA 1.396 59.483 58.100 -0.020 0.000 1.164 683 Y CB 0.174 38.658 38.460 0.041 0.000 0.982 683 Y HN 0.114 nan 8.280 nan 0.000 0.515 684 R N -0.368 120.204 120.500 0.120 0.000 2.236 684 R HA -0.049 4.289 4.340 -0.004 0.000 0.208 684 R C 1.378 177.673 176.300 -0.007 0.000 1.036 684 R CA 0.621 56.745 56.100 0.040 0.000 1.001 684 R CB -0.769 29.555 30.300 0.040 0.000 0.896 684 R HN 0.497 nan 8.270 nan 0.000 0.464 685 N N 0.647 119.321 118.700 -0.043 0.000 2.373 685 N HA -0.051 4.686 4.740 -0.004 0.000 0.181 685 N C 0.204 175.660 175.510 -0.089 0.000 1.082 685 N CA 0.373 53.396 53.050 -0.045 0.000 0.885 685 N CB 0.389 38.883 38.487 0.013 0.000 0.977 685 N HN 0.084 nan 8.380 nan 0.000 0.462 686 S N -0.264 115.337 115.700 -0.165 0.000 2.574 686 S HA 0.058 4.525 4.470 -0.004 0.000 0.242 686 S C 0.492 175.136 174.600 0.074 0.000 0.982 686 S CA -0.755 57.408 58.200 -0.061 0.000 0.977 686 S CB -0.058 63.048 63.200 -0.157 0.000 0.814 686 S HN 0.153 nan 8.310 nan 0.000 0.464 687 T N -1.412 113.143 114.554 0.001 0.000 2.913 687 T HA 0.504 4.852 4.350 -0.004 0.000 0.287 687 T C 1.316 176.012 174.700 -0.007 0.000 1.008 687 T CA -0.624 61.464 62.100 -0.021 0.000 1.067 687 T CB 1.354 70.176 68.868 -0.076 0.000 0.996 687 T HN -0.045 nan 8.240 nan 0.000 0.513 688 V N 2.020 121.928 119.914 -0.010 0.000 2.358 688 V HA -0.129 3.989 4.120 -0.004 0.000 0.246 688 V C 2.646 178.713 176.094 -0.046 0.000 1.047 688 V CA 1.659 63.945 62.300 -0.023 0.000 1.035 688 V CB -0.942 30.863 31.823 -0.029 0.000 0.658 688 V HN 0.827 nan 8.190 nan 0.000 0.452 689 M N 1.244 120.799 119.600 -0.075 0.000 2.144 689 M HA -0.180 4.298 4.480 -0.004 0.000 0.260 689 M C 2.296 178.565 176.300 -0.052 0.000 1.067 689 M CA 2.216 57.464 55.300 -0.088 0.000 1.095 689 M CB -1.060 31.499 32.600 -0.067 0.000 1.365 689 M HN 0.538 nan 8.290 nan 0.000 0.406 690 S N -0.593 115.090 115.700 -0.028 0.000 2.547 690 S HA -0.062 4.406 4.470 -0.004 0.000 0.235 690 S C 1.678 176.285 174.600 0.011 0.000 0.980 690 S CA 0.652 58.846 58.200 -0.010 0.000 0.941 690 S CB -0.390 62.805 63.200 -0.009 0.000 0.763 690 S HN 0.535 nan 8.310 nan 0.000 0.532 691 R N 0.204 120.727 120.500 0.038 0.000 2.468 691 R HA 0.495 4.833 4.340 -0.004 0.000 0.280 691 R C 2.063 178.484 176.300 0.202 0.000 0.963 691 R CA 0.428 56.582 56.100 0.091 0.000 1.083 691 R CB -0.123 30.226 30.300 0.082 0.000 1.200 691 R HN 0.424 nan 8.270 nan 0.000 0.541 692 A N 1.547 124.421 122.820 0.089 0.000 1.903 692 A HA -0.305 4.012 4.320 -0.004 0.000 0.219 692 A C 2.047 179.719 177.584 0.147 0.000 1.191 692 A CA 2.080 54.132 52.037 0.025 0.000 0.638 692 A CB -0.316 18.627 19.000 -0.095 0.000 0.823 692 A HN 0.326 nan 8.150 nan 0.000 0.451 693 E N 0.526 120.782 120.200 0.094 0.000 2.160 693 E HA -0.193 4.155 4.350 -0.004 0.000 0.195 693 E C 1.552 178.214 176.600 0.102 0.000 0.991 693 E CA 1.672 58.122 56.400 0.083 0.000 0.810 693 E CB -0.273 29.457 29.700 0.049 0.000 0.742 693 E HN 0.595 nan 8.360 nan 0.000 0.466 694 N N -0.503 118.257 118.700 0.101 0.000 2.512 694 N HA -0.089 4.649 4.740 -0.004 0.000 0.183 694 N C 0.825 176.325 175.510 -0.017 0.000 1.073 694 N CA 0.525 53.585 53.050 0.017 0.000 0.911 694 N CB -0.220 38.229 38.487 -0.063 0.000 0.964 694 N HN 0.264 nan 8.380 nan 0.000 0.447 695 F N 1.255 121.162 119.950 -0.072 0.000 2.699 695 F HA 0.035 4.559 4.527 -0.004 0.000 0.298 695 F C 1.922 177.724 175.800 0.004 0.000 1.154 695 F CA 0.542 58.495 58.000 -0.079 0.000 1.457 695 F CB 0.138 39.045 39.000 -0.155 0.000 1.106 695 F HN -0.068 nan 8.300 nan 0.000 0.585 696 K N 0.029 120.528 120.400 0.165 0.000 2.442 696 K HA -0.155 4.163 4.320 -0.004 0.000 0.198 696 K C 1.478 178.135 176.600 0.095 0.000 1.042 696 K CA 0.877 57.242 56.287 0.130 0.000 0.958 696 K CB -0.125 32.432 32.500 0.096 0.000 0.766 696 K HN 0.429 nan 8.250 nan 0.000 0.474 697 Q N 0.108 119.943 119.800 0.057 0.000 2.392 697 Q HA 0.032 4.370 4.340 -0.004 0.000 0.203 697 Q C 0.355 176.387 176.000 0.053 0.000 0.917 697 Q CA 0.070 55.897 55.803 0.039 0.000 0.939 697 Q CB 0.699 29.440 28.738 0.004 0.000 1.063 697 Q HN 0.126 nan 8.270 nan 0.000 0.516 698 V N -3.358 116.600 119.914 0.074 0.000 3.160 698 V HA 0.476 4.593 4.120 -0.004 0.000 0.310 698 V C -1.248 174.978 176.094 0.219 0.000 1.181 698 V CA -1.290 61.081 62.300 0.117 0.000 1.047 698 V CB 2.307 34.164 31.823 0.058 0.000 1.068 698 V HN -0.063 nan 8.190 nan 0.000 0.441 699 E N 1.249 121.611 120.200 0.270 0.000 2.146 699 E HA 0.446 4.793 4.350 -0.004 0.000 0.282 699 E C -1.904 175.063 176.600 0.612 0.000 0.989 699 E CA -0.351 56.288 56.400 0.398 0.000 0.799 699 E CB 1.674 31.540 29.700 0.276 0.000 1.088 699 E HN 0.667 nan 8.360 nan 0.000 0.397 700 Y N 3.514 124.075 120.300 0.434 0.000 2.409 700 Y HA 0.472 5.020 4.550 -0.004 0.000 0.343 700 Y C -1.613 174.365 175.900 0.131 0.000 0.973 700 Y CA -1.497 56.794 58.100 0.319 0.000 1.064 700 Y CB 1.090 39.777 38.460 0.378 0.000 1.207 700 Y HN 0.405 nan 8.280 nan 0.000 0.452 701 L N 7.596 128.564 121.223 -0.425 0.000 2.376 701 L HA 0.607 4.945 4.340 -0.004 0.000 0.275 701 L C -2.246 174.194 176.870 -0.717 0.000 0.987 701 L CA -0.799 53.641 54.840 -0.667 0.000 0.828 701 L CB 1.345 42.705 42.059 -1.164 0.000 1.249 701 L HN 0.648 nan 8.230 nan 0.000 0.409 702 L N 6.444 127.329 121.223 -0.564 0.000 2.322 702 L HA 0.731 5.068 4.340 -0.004 0.000 0.281 702 L C -1.140 175.607 176.870 -0.206 0.000 1.014 702 L CA -0.055 54.495 54.840 -0.484 0.000 0.815 702 L CB 1.359 43.158 42.059 -0.433 0.000 1.247 702 L HN 0.609 nan 8.230 nan 0.000 0.421 703 I N 4.233 124.698 120.570 -0.175 0.000 2.619 703 I HA 0.453 4.621 4.170 -0.004 0.000 0.292 703 I C -1.282 174.816 176.117 -0.031 0.000 1.100 703 I CA -0.686 60.562 61.300 -0.087 0.000 1.043 703 I CB 2.142 40.054 38.000 -0.147 0.000 1.239 703 I HN 0.678 nan 8.210 nan 0.000 0.420 704 H N 2.114 121.230 119.070 0.078 0.000 3.085 704 H HA 0.506 5.059 4.556 -0.004 0.000 0.356 704 H C -0.401 175.156 175.328 0.382 0.000 1.178 704 H CA -0.563 55.581 56.048 0.159 0.000 1.214 704 H CB 2.092 31.883 29.762 0.048 0.000 1.881 704 H HN 0.745 nan 8.280 nan 0.000 0.538 705 G N 0.805 109.937 108.800 0.553 0.000 2.372 705 G HA2 0.227 4.184 3.960 -0.004 0.000 0.283 705 G HA3 0.227 4.184 3.960 -0.004 0.000 0.283 705 G C 1.118 176.302 174.900 0.474 0.000 1.177 705 G CA 0.110 45.499 45.100 0.482 0.000 0.842 705 G HN 0.749 nan 8.290 nan 0.000 0.503 706 T N -0.691 114.000 114.554 0.227 0.000 2.962 706 T HA 0.068 4.416 4.350 -0.004 0.000 0.270 706 T C 1.665 176.344 174.700 -0.036 0.000 1.088 706 T CA 1.270 63.316 62.100 -0.090 0.000 1.127 706 T CB 0.156 68.881 68.868 -0.238 0.000 0.883 706 T HN 0.686 nan 8.240 nan 0.000 0.493 707 A N 1.056 123.926 122.820 0.084 0.000 2.708 707 A HA 0.312 4.629 4.320 -0.004 0.000 0.293 707 A C 0.386 177.920 177.584 -0.083 0.000 1.303 707 A CA -0.518 51.532 52.037 0.021 0.000 0.949 707 A CB -0.287 19.020 19.000 0.513 0.000 1.121 707 A HN 0.371 nan 8.150 nan 0.000 0.542 708 D N 1.574 121.947 120.400 -0.044 0.000 2.342 708 D HA -0.011 4.626 4.640 -0.004 0.000 0.260 708 D C 0.401 176.656 176.300 -0.075 0.000 1.278 708 D CA 0.125 54.197 54.000 0.119 0.000 0.910 708 D CB 0.649 41.666 40.800 0.361 0.000 1.079 708 D HN 0.574 nan 8.370 nan 0.000 0.496 709 D N 2.425 122.840 120.400 0.026 0.000 2.323 709 D HA -0.148 4.490 4.640 -0.004 0.000 0.209 709 D C 0.983 177.223 176.300 -0.101 0.000 0.973 709 D CA -0.023 53.952 54.000 -0.041 0.000 0.874 709 D CB 0.406 41.147 40.800 -0.098 0.000 0.930 709 D HN 0.223 nan 8.370 nan 0.000 0.521 710 N N 0.899 119.628 118.700 0.047 0.000 2.335 710 N HA -0.058 4.679 4.740 -0.004 0.000 0.197 710 N C -0.033 175.356 175.510 -0.203 0.000 1.045 710 N CA 0.555 53.661 53.050 0.093 0.000 0.928 710 N CB 0.233 38.813 38.487 0.155 0.000 1.118 710 N HN -0.098 nan 8.380 nan 0.000 0.471 711 V N 3.814 123.612 119.914 -0.193 0.000 2.320 711 V HA 0.184 4.302 4.120 -0.004 0.000 0.265 711 V C -0.556 175.512 176.094 -0.043 0.000 1.048 711 V CA -0.662 61.570 62.300 -0.113 0.000 0.865 711 V CB 0.036 31.847 31.823 -0.021 0.000 1.043 711 V HN 0.323 nan 8.190 nan 0.000 0.474 712 H N 3.679 122.712 119.070 -0.062 0.000 2.897 712 H HA -0.011 4.542 4.556 -0.004 0.000 0.347 712 H C 0.909 176.080 175.328 -0.263 0.000 1.068 712 H CA -0.177 55.760 56.048 -0.185 0.000 1.426 712 H CB 0.557 30.131 29.762 -0.313 0.000 1.410 712 H HN 0.640 nan 8.280 nan 0.000 0.597 713 F N 2.147 121.893 119.950 -0.340 0.000 2.225 713 F HA -0.293 4.232 4.527 -0.004 0.000 0.302 713 F C 2.551 178.053 175.800 -0.496 0.000 1.068 713 F CA 1.857 59.451 58.000 -0.677 0.000 1.327 713 F CB -0.069 38.731 39.000 -0.333 0.000 1.043 713 F HN 0.660 nan 8.300 nan 0.000 0.506 714 Q N 0.218 119.873 119.800 -0.242 0.000 2.133 714 Q HA -0.316 4.022 4.340 -0.004 0.000 0.208 714 Q C 2.087 177.840 176.000 -0.412 0.000 0.991 714 Q CA 2.313 57.924 55.803 -0.319 0.000 0.867 714 Q CB -0.390 28.125 28.738 -0.371 0.000 0.911 714 Q HN 0.592 nan 8.270 nan 0.000 0.417 715 Q N -0.258 119.343 119.800 -0.332 0.000 2.096 715 Q HA -0.136 4.201 4.340 -0.004 0.000 0.204 715 Q C 2.235 178.123 176.000 -0.187 0.000 0.982 715 Q CA 1.805 57.538 55.803 -0.116 0.000 0.850 715 Q CB -0.119 28.624 28.738 0.009 0.000 0.901 715 Q HN 0.344 nan 8.270 nan 0.000 0.422 716 S N 0.446 115.902 115.700 -0.408 0.000 2.436 716 S HA 0.037 4.505 4.470 -0.004 0.000 0.228 716 S C 1.982 176.315 174.600 -0.444 0.000 1.014 716 S CA 0.611 58.585 58.200 -0.377 0.000 0.950 716 S CB -0.003 62.971 63.200 -0.376 0.000 0.784 716 S HN 0.454 nan 8.310 nan 0.000 0.504 717 A N 1.362 123.835 122.820 -0.578 0.000 1.972 717 A HA -0.113 4.205 4.320 -0.004 0.000 0.219 717 A C 2.113 179.593 177.584 -0.174 0.000 1.169 717 A CA 1.073 52.913 52.037 -0.328 0.000 0.635 717 A CB -0.339 18.538 19.000 -0.205 0.000 0.810 717 A HN 0.354 nan 8.150 nan 0.000 0.446 718 Q N -0.572 119.134 119.800 -0.156 0.000 2.187 718 Q HA 0.043 4.381 4.340 -0.004 0.000 0.199 718 Q C 2.079 178.023 176.000 -0.093 0.000 0.957 718 Q CA 0.849 56.614 55.803 -0.064 0.000 0.857 718 Q CB -0.237 28.541 28.738 0.067 0.000 0.929 718 Q HN 0.774 nan 8.270 nan 0.000 0.453 719 I N 1.138 121.624 120.570 -0.140 0.000 2.202 719 I HA -0.268 3.900 4.170 -0.004 0.000 0.242 719 I C 2.543 178.488 176.117 -0.286 0.000 1.091 719 I CA 1.442 62.615 61.300 -0.211 0.000 1.368 719 I CB -0.384 37.496 38.000 -0.200 0.000 1.058 719 I HN 0.174 nan 8.210 nan 0.000 0.410 720 S N 0.886 116.443 115.700 -0.239 0.000 2.382 720 S HA -0.281 4.187 4.470 -0.004 0.000 0.228 720 S C 2.032 176.598 174.600 -0.056 0.000 1.027 720 S CA 1.506 59.596 58.200 -0.183 0.000 0.991 720 S CB -0.445 62.808 63.200 0.088 0.000 0.823 720 S HN 0.396 nan 8.310 nan 0.000 0.469 721 K N 1.616 121.987 120.400 -0.049 0.000 2.097 721 K HA 0.102 4.419 4.320 -0.004 0.000 0.205 721 K C 2.261 178.838 176.600 -0.038 0.000 1.050 721 K CA 1.008 57.286 56.287 -0.015 0.000 0.938 721 K CB -0.626 31.863 32.500 -0.017 0.000 0.718 721 K HN 0.439 nan 8.250 nan 0.000 0.442 722 A N 1.139 123.905 122.820 -0.089 0.000 1.930 722 A HA -0.085 4.232 4.320 -0.004 0.000 0.217 722 A C 2.063 179.579 177.584 -0.114 0.000 1.175 722 A CA 1.167 53.146 52.037 -0.097 0.000 0.627 722 A CB -0.526 18.397 19.000 -0.129 0.000 0.815 722 A HN 0.308 nan 8.150 nan 0.000 0.443 723 L N -0.679 120.429 121.223 -0.192 0.000 2.056 723 L HA -0.136 4.202 4.340 -0.004 0.000 0.207 723 L C 2.520 179.404 176.870 0.024 0.000 1.078 723 L CA 0.971 55.707 54.840 -0.173 0.000 0.749 723 L CB -0.637 41.160 42.059 -0.438 0.000 0.901 723 L HN 0.227 nan 8.230 nan 0.000 0.433 724 V N -0.033 119.933 119.914 0.087 0.000 2.332 724 V HA -0.310 3.808 4.120 -0.004 0.000 0.248 724 V C 2.026 178.157 176.094 0.063 0.000 1.055 724 V CA 1.957 64.331 62.300 0.123 0.000 1.038 724 V CB -0.557 31.337 31.823 0.118 0.000 0.651 724 V HN 0.437 nan 8.190 nan 0.000 0.450 725 D N 0.177 120.595 120.400 0.029 0.000 2.263 725 D HA -0.102 4.536 4.640 -0.004 0.000 0.208 725 D C 1.691 178.004 176.300 0.021 0.000 0.971 725 D CA 1.617 55.629 54.000 0.019 0.000 0.867 725 D CB -0.077 40.726 40.800 0.004 0.000 0.929 725 D HN 0.572 nan 8.370 nan 0.000 0.492 726 V N -3.950 115.977 119.914 0.023 0.000 3.376 726 V HA 0.519 4.637 4.120 -0.004 0.000 0.313 726 V C 1.174 177.297 176.094 0.049 0.000 1.393 726 V CA 0.174 62.492 62.300 0.030 0.000 1.125 726 V CB -0.044 31.793 31.823 0.024 0.000 1.037 726 V HN 0.121 nan 8.190 nan 0.000 0.440 727 G N 0.594 109.430 108.800 0.061 0.000 2.246 727 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.273 727 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.273 727 G C -0.103 174.859 174.900 0.104 0.000 1.055 727 G CA 0.259 45.405 45.100 0.077 0.000 0.851 727 G HN 0.850 nan 8.290 nan 0.000 0.500 728 V N 0.384 120.380 119.914 0.136 0.000 2.394 728 V HA 0.467 4.585 4.120 -0.004 0.000 0.282 728 V C 0.402 176.678 176.094 0.303 0.000 1.031 728 V CA -0.536 61.877 62.300 0.188 0.000 0.881 728 V CB 1.766 33.687 31.823 0.163 0.000 0.982 728 V HN 0.444 nan 8.190 nan 0.000 0.451 729 D N 3.961 124.518 120.400 0.262 0.000 2.255 729 D HA 0.615 5.253 4.640 -0.004 0.000 0.249 729 D C -0.612 175.927 176.300 0.399 0.000 1.078 729 D CA 0.123 54.268 54.000 0.242 0.000 0.896 729 D CB 0.858 41.736 40.800 0.129 0.000 1.194 729 D HN 0.346 nan 8.370 nan 0.000 0.429 730 F N -0.273 119.756 119.950 0.133 0.000 2.779 730 F HA 0.468 4.993 4.527 -0.004 0.000 0.316 730 F C -1.410 174.447 175.800 0.094 0.000 1.164 730 F CA -1.124 56.976 58.000 0.168 0.000 0.924 730 F CB 0.725 39.859 39.000 0.224 0.000 1.348 730 F HN 0.092 nan 8.300 nan 0.000 0.467 731 Q N 1.259 121.124 119.800 0.109 0.000 2.235 731 Q HA 0.817 5.154 4.340 -0.004 0.000 0.256 731 Q C -0.857 175.116 176.000 -0.046 0.000 0.951 731 Q CA -0.796 54.977 55.803 -0.050 0.000 0.890 731 Q CB 2.176 30.922 28.738 0.013 0.000 1.279 731 Q HN 1.042 nan 8.270 nan 0.000 0.444 732 A N 1.745 124.510 122.820 -0.091 0.000 2.556 732 A HA 0.847 5.165 4.320 -0.004 0.000 0.294 732 A C -1.401 176.119 177.584 -0.106 0.000 1.091 732 A CA -0.577 51.444 52.037 -0.027 0.000 0.704 732 A CB 2.025 21.073 19.000 0.080 0.000 1.300 732 A HN 0.623 nan 8.150 nan 0.000 0.406 733 M N 1.171 120.697 119.600 -0.123 0.000 2.294 733 M HA 0.585 5.063 4.480 -0.004 0.000 0.280 733 M C -2.068 174.099 176.300 -0.220 0.000 1.085 733 M CA -0.482 54.600 55.300 -0.362 0.000 0.969 733 M CB 1.188 33.466 32.600 -0.536 0.000 1.770 733 M HN 0.973 nan 8.290 nan 0.000 0.485 734 W N 4.237 125.370 121.300 -0.279 0.000 2.578 734 W HA 0.780 5.438 4.660 -0.004 0.000 0.346 734 W C -2.055 174.201 176.519 -0.439 0.000 1.075 734 W CA -0.853 56.417 57.345 -0.125 0.000 1.233 734 W CB 0.448 29.890 29.460 -0.030 0.000 1.358 734 W HN 0.605 nan 8.180 nan 0.000 0.574 735 Y N 2.406 122.838 120.300 0.221 0.000 2.464 735 Y HA 0.298 4.846 4.550 -0.004 0.000 0.326 735 Y C 0.510 176.523 175.900 0.187 0.000 0.969 735 Y CA -1.174 56.969 58.100 0.073 0.000 1.270 735 Y CB 1.255 39.734 38.460 0.032 0.000 1.103 735 Y HN 0.439 nan 8.280 nan 0.000 0.491 736 T N 4.771 119.499 114.554 0.289 0.000 2.822 736 T HA -0.046 4.302 4.350 -0.004 0.000 0.288 736 T C 0.169 174.944 174.700 0.125 0.000 0.991 736 T CA 0.738 62.950 62.100 0.188 0.000 1.176 736 T CB -0.181 68.739 68.868 0.086 0.000 0.951 736 T HN 0.683 nan 8.240 nan 0.000 0.526 737 D N 1.058 121.507 120.400 0.081 0.000 3.059 737 D HA -0.124 4.514 4.640 -0.004 0.000 0.220 737 D C 0.263 176.692 176.300 0.215 0.000 1.169 737 D CA 1.100 55.091 54.000 -0.014 0.000 0.902 737 D CB -0.380 40.201 40.800 -0.364 0.000 1.116 737 D HN 0.555 nan 8.370 nan 0.000 0.417 738 E N 0.666 121.016 120.200 0.250 0.000 2.242 738 E HA 0.365 4.713 4.350 -0.004 0.000 0.275 738 E C 0.714 177.502 176.600 0.313 0.000 1.002 738 E CA -0.391 56.175 56.400 0.278 0.000 0.841 738 E CB 1.383 31.236 29.700 0.256 0.000 1.109 738 E HN 0.302 nan 8.360 nan 0.000 0.394 739 D N -0.621 119.976 120.400 0.328 0.000 2.541 739 D HA 0.011 4.648 4.640 -0.004 0.000 0.276 739 D C 1.038 177.577 176.300 0.398 0.000 1.190 739 D CA -0.192 54.023 54.000 0.358 0.000 1.095 739 D CB -0.185 40.850 40.800 0.392 0.000 1.173 739 D HN 0.400 nan 8.370 nan 0.000 0.604 740 H N -1.692 117.564 119.070 0.309 0.000 2.518 740 H HA 0.118 4.671 4.556 -0.004 0.000 0.289 740 H C 1.822 177.419 175.328 0.449 0.000 1.051 740 H CA 1.951 58.206 56.048 0.345 0.000 1.280 740 H CB -0.304 29.644 29.762 0.309 0.000 1.380 740 H HN 0.484 nan 8.280 nan 0.000 0.566 741 G N -0.458 108.551 108.800 0.349 0.000 2.744 741 G HA2 0.033 3.991 3.960 -0.004 0.000 0.211 741 G HA3 0.033 3.991 3.960 -0.004 0.000 0.211 741 G C 0.612 175.727 174.900 0.357 0.000 1.146 741 G CA 0.221 45.454 45.100 0.223 0.000 0.787 741 G HN 0.488 nan 8.290 nan 0.000 0.534 742 I N 0.290 121.084 120.570 0.372 0.000 5.115 742 I HA -0.326 3.841 4.170 -0.004 0.000 0.126 742 I C 1.492 177.763 176.117 0.256 0.000 1.316 742 I CA 0.199 61.666 61.300 0.278 0.000 2.641 742 I CB -1.110 37.038 38.000 0.246 0.000 2.272 742 I HN 0.268 nan 8.210 nan 0.000 0.321 743 A N 1.445 124.381 122.820 0.192 0.000 2.390 743 A HA 0.273 4.591 4.320 -0.004 0.000 0.232 743 A C 1.157 178.797 177.584 0.093 0.000 1.233 743 A CA 0.548 52.660 52.037 0.126 0.000 0.907 743 A CB 0.176 19.218 19.000 0.070 0.000 0.967 743 A HN 0.650 nan 8.150 nan 0.000 0.512 744 S N -0.340 115.429 115.700 0.114 0.000 2.573 744 S HA 0.156 4.624 4.470 -0.004 0.000 0.277 744 S C 1.242 175.898 174.600 0.092 0.000 1.346 744 S CA 0.393 58.651 58.200 0.097 0.000 1.034 744 S CB 1.068 64.332 63.200 0.107 0.000 0.879 744 S HN 0.494 nan 8.310 nan 0.000 0.528 745 S N 2.228 117.968 115.700 0.067 0.000 2.368 745 S HA -0.206 4.261 4.470 -0.004 0.000 0.226 745 S C 2.134 176.794 174.600 0.099 0.000 1.044 745 S CA 2.496 60.736 58.200 0.067 0.000 1.062 745 S CB -1.659 61.564 63.200 0.039 0.000 0.931 745 S HN 1.073 nan 8.310 nan 0.000 0.440 746 T N -0.053 114.549 114.554 0.080 0.000 2.777 746 T HA 0.118 4.466 4.350 -0.004 0.000 0.266 746 T C 1.985 176.738 174.700 0.088 0.000 1.040 746 T CA 1.452 63.600 62.100 0.080 0.000 1.141 746 T CB -1.007 67.899 68.868 0.062 0.000 0.868 746 T HN 0.487 nan 8.240 nan 0.000 0.444 747 A N 1.478 124.331 122.820 0.054 0.000 1.930 747 A HA -0.080 4.237 4.320 -0.004 0.000 0.217 747 A C 2.199 179.734 177.584 -0.081 0.000 1.175 747 A CA 2.015 54.012 52.037 -0.066 0.000 0.627 747 A CB -1.249 17.677 19.000 -0.123 0.000 0.815 747 A HN 0.783 nan 8.150 nan 0.000 0.443 748 H N -0.035 119.018 119.070 -0.028 0.000 2.319 748 H HA -0.157 4.397 4.556 -0.004 0.000 0.299 748 H C 2.078 177.468 175.328 0.103 0.000 1.092 748 H CA 2.388 58.475 56.048 0.065 0.000 1.302 748 H CB -0.211 29.594 29.762 0.071 0.000 1.373 748 H HN 0.581 nan 8.280 nan 0.000 0.497 749 Q N -1.052 118.750 119.800 0.003 0.000 2.119 749 Q HA -0.172 4.165 4.340 -0.004 0.000 0.201 749 Q C 2.179 178.159 176.000 -0.033 0.000 0.972 749 Q CA 1.216 56.974 55.803 -0.075 0.000 0.847 749 Q CB -0.158 28.583 28.738 0.005 0.000 0.903 749 Q HN 0.648 nan 8.270 nan 0.000 0.433 750 H N 0.818 119.853 119.070 -0.059 0.000 2.357 750 H HA -0.046 4.508 4.556 -0.004 0.000 0.301 750 H C 2.000 177.317 175.328 -0.017 0.000 1.082 750 H CA 1.178 57.226 56.048 -0.000 0.000 1.342 750 H CB 0.061 29.875 29.762 0.087 0.000 1.389 750 H HN 0.274 nan 8.280 nan 0.000 0.511 751 I N 0.057 120.586 120.570 -0.068 0.000 2.252 751 I HA -0.303 3.865 4.170 -0.004 0.000 0.245 751 I C 1.725 177.615 176.117 -0.378 0.000 1.102 751 I CA 1.130 62.314 61.300 -0.193 0.000 1.385 751 I CB -0.263 37.437 38.000 -0.500 0.000 1.064 751 I HN 0.119 nan 8.210 nan 0.000 0.414 752 Y N 0.966 121.049 120.300 -0.360 0.000 2.293 752 Y HA -0.187 4.360 4.550 -0.004 0.000 0.291 752 Y C 2.701 178.393 175.900 -0.347 0.000 1.137 752 Y CA 1.779 59.551 58.100 -0.547 0.000 1.202 752 Y CB -0.747 37.386 38.460 -0.546 0.000 0.990 752 Y HN 0.148 nan 8.280 nan 0.000 0.537 753 T N -1.726 112.751 114.554 -0.129 0.000 2.737 753 T HA -0.212 4.136 4.350 -0.004 0.000 0.265 753 T C 1.562 176.147 174.700 -0.192 0.000 1.038 753 T CA 1.787 63.781 62.100 -0.177 0.000 1.144 753 T CB -0.415 68.348 68.868 -0.174 0.000 0.866 753 T HN 0.394 nan 8.240 nan 0.000 0.434 754 H N 0.923 119.868 119.070 -0.209 0.000 2.353 754 H HA 0.087 4.640 4.556 -0.004 0.000 0.300 754 H C 2.161 177.471 175.328 -0.030 0.000 1.090 754 H CA 1.611 57.608 56.048 -0.083 0.000 1.327 754 H CB -0.234 29.479 29.762 -0.081 0.000 1.383 754 H HN 0.255 nan 8.280 nan 0.000 0.508 755 M N -0.898 118.647 119.600 -0.093 0.000 2.229 755 M HA -0.149 4.329 4.480 -0.004 0.000 0.264 755 M C 2.395 178.819 176.300 0.206 0.000 1.063 755 M CA 1.331 56.582 55.300 -0.081 0.000 1.114 755 M CB 0.016 32.314 32.600 -0.502 0.000 1.387 755 M HN 0.198 nan 8.290 nan 0.000 0.420 756 S N -0.523 115.312 115.700 0.225 0.000 2.356 756 S HA -0.154 4.314 4.470 -0.004 0.000 0.223 756 S C 1.693 176.379 174.600 0.144 0.000 1.032 756 S CA 1.052 59.471 58.200 0.365 0.000 1.005 756 S CB -0.562 62.830 63.200 0.320 0.000 0.867 756 S HN 0.470 nan 8.310 nan 0.000 0.449 757 H N -0.198 118.938 119.070 0.109 0.000 2.353 757 H HA -0.034 4.519 4.556 -0.004 0.000 0.300 757 H C 1.971 177.307 175.328 0.015 0.000 1.090 757 H CA 1.235 57.300 56.048 0.029 0.000 1.327 757 H CB -0.731 28.997 29.762 -0.056 0.000 1.383 757 H HN 0.436 nan 8.280 nan 0.000 0.508 758 F N 1.249 121.190 119.950 -0.014 0.000 2.102 758 F HA -0.184 4.340 4.527 -0.004 0.000 0.298 758 F C 2.253 178.012 175.800 -0.068 0.000 1.105 758 F CA 0.855 58.819 58.000 -0.059 0.000 1.239 758 F CB -0.227 38.721 39.000 -0.086 0.000 0.991 758 F HN -0.044 nan 8.300 nan 0.000 0.474 759 I N 0.645 121.241 120.570 0.044 0.000 2.163 759 I HA -0.265 3.903 4.170 -0.004 0.000 0.240 759 I C 2.239 178.175 176.117 -0.302 0.000 1.081 759 I CA 1.482 62.643 61.300 -0.232 0.000 1.353 759 I CB -1.390 36.541 38.000 -0.115 0.000 1.054 759 I HN 0.182 nan 8.210 nan 0.000 0.407 760 K N 0.261 120.623 120.400 -0.064 0.000 2.063 760 K HA -0.234 4.084 4.320 -0.004 0.000 0.208 760 K C 2.112 178.701 176.600 -0.018 0.000 1.048 760 K CA 1.206 57.505 56.287 0.019 0.000 0.928 760 K CB -0.250 32.308 32.500 0.097 0.000 0.713 760 K HN 0.331 nan 8.250 nan 0.000 0.442 761 Q N 1.243 120.994 119.800 -0.081 0.000 2.050 761 Q HA -0.208 4.130 4.340 -0.004 0.000 0.202 761 Q C 2.269 178.166 176.000 -0.172 0.000 0.980 761 Q CA 1.794 57.529 55.803 -0.113 0.000 0.840 761 Q CB -0.590 28.061 28.738 -0.146 0.000 0.898 761 Q HN 0.428 nan 8.270 nan 0.000 0.424 762 c N 0.225 118.613 118.600 -0.353 0.000 2.422 762 c HA -0.072 4.495 4.570 -0.004 0.000 0.279 762 c C 1.956 176.025 174.090 -0.035 0.000 1.305 762 c CA 0.355 56.481 56.329 -0.338 0.000 1.757 762 c CB -1.281 40.863 42.510 -0.610 0.000 1.962 762 c HN 0.502 nan 8.230 nan 0.000 0.499 763 F N 1.871 121.784 119.950 -0.061 0.000 2.645 763 F HA 0.271 4.795 4.527 -0.004 0.000 0.300 763 F C 1.497 177.283 175.800 -0.023 0.000 1.115 763 F CA 0.041 58.026 58.000 -0.025 0.000 1.355 763 F CB -1.250 37.743 39.000 -0.011 0.000 1.026 763 F HN 0.175 nan 8.300 nan 0.000 0.536 764 S N 1.037 116.816 115.700 0.130 0.000 3.559 764 S HA -0.215 4.253 4.470 -0.004 0.000 0.369 764 S C -0.066 174.580 174.600 0.077 0.000 0.987 764 S CA 0.171 58.414 58.200 0.072 0.000 1.187 764 S CB -2.028 61.206 63.200 0.057 0.000 0.914 764 S HN 0.269 nan 8.310 nan 0.000 0.480 765 L N 0.827 122.105 121.223 0.091 0.000 2.287 765 L HA 0.460 4.798 4.340 -0.004 0.000 0.287 765 L C -1.521 175.392 176.870 0.072 0.000 1.022 765 L CA -2.217 52.675 54.840 0.085 0.000 0.814 765 L CB 0.830 42.957 42.059 0.114 0.000 1.217 765 L HN 0.047 nan 8.230 nan 0.000 0.420 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.728 31.700 0.046 0.000 0.726