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 1x70_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 0.000 174.743 174.700 0.072 0.000 1.109 39 T CA 0.000 62.133 62.100 0.055 0.000 1.349 39 T CB 0.000 68.895 68.868 0.045 0.000 0.612 40 R N 1.537 122.080 120.500 0.072 0.000 1.385 40 R HA -0.092 4.246 4.340 -0.004 0.000 0.414 40 R C -0.048 176.307 176.300 0.092 0.000 1.295 40 R CA 0.180 56.329 56.100 0.082 0.000 0.975 40 R CB -0.372 29.979 30.300 0.085 0.000 3.046 40 R HN 0.885 nan 8.270 nan 0.000 0.499 41 K N 0.719 121.179 120.400 0.100 0.000 2.187 41 K HA 0.317 4.635 4.320 -0.004 0.000 0.247 41 K C 0.560 177.234 176.600 0.124 0.000 1.019 41 K CA 0.015 56.370 56.287 0.113 0.000 0.893 41 K CB 0.501 33.078 32.500 0.128 0.000 1.025 41 K HN 0.584 nan 8.250 nan 0.000 0.500 42 T N -2.543 112.093 114.554 0.138 0.000 2.922 42 T HA 0.175 4.523 4.350 -0.004 0.000 0.281 42 T C -0.825 174.013 174.700 0.230 0.000 1.005 42 T CA -0.810 61.384 62.100 0.156 0.000 0.982 42 T CB 0.541 69.493 68.868 0.140 0.000 1.158 42 T HN 0.527 nan 8.240 nan 0.000 0.566 43 Y N 2.520 122.893 120.300 0.122 0.000 2.504 43 Y HA 0.395 4.942 4.550 -0.004 0.000 0.351 43 Y C 0.939 177.000 175.900 0.268 0.000 0.988 43 Y CA -0.459 57.754 58.100 0.187 0.000 1.239 43 Y CB -0.211 38.320 38.460 0.118 0.000 1.128 43 Y HN 1.014 nan 8.280 nan 0.000 0.525 44 T N 2.154 116.693 114.554 -0.024 0.000 2.824 44 T HA 0.134 4.482 4.350 -0.004 0.000 0.277 44 T C 0.972 175.541 174.700 -0.219 0.000 0.975 44 T CA -0.677 61.441 62.100 0.030 0.000 0.966 44 T CB 1.105 69.972 68.868 -0.003 0.000 1.054 44 T HN 0.658 nan 8.240 nan 0.000 0.533 45 L N 0.734 121.684 121.223 -0.455 0.000 2.056 45 L HA 0.051 4.388 4.340 -0.004 0.000 0.207 45 L C 2.680 179.396 176.870 -0.256 0.000 1.078 45 L CA 2.068 56.530 54.840 -0.630 0.000 0.749 45 L CB -1.416 40.172 42.059 -0.785 0.000 0.901 45 L HN 0.956 nan 8.230 nan 0.000 0.433 46 T N -0.617 113.815 114.554 -0.204 0.000 2.788 46 T HA -0.158 4.190 4.350 -0.004 0.000 0.268 46 T C 1.471 176.076 174.700 -0.158 0.000 1.044 46 T CA 1.445 63.458 62.100 -0.145 0.000 1.139 46 T CB -0.362 68.443 68.868 -0.105 0.000 0.867 46 T HN 0.382 nan 8.240 nan 0.000 0.454 47 D N 0.101 120.368 120.400 -0.221 0.000 2.144 47 D HA -0.080 4.558 4.640 -0.004 0.000 0.199 47 D C 1.728 177.931 176.300 -0.163 0.000 0.984 47 D CA 0.955 54.800 54.000 -0.258 0.000 0.834 47 D CB -0.322 40.244 40.800 -0.390 0.000 0.955 47 D HN 0.425 nan 8.370 nan 0.000 0.465 48 Y N 1.483 121.587 120.300 -0.326 0.000 2.133 48 Y HA -0.072 4.476 4.550 -0.003 0.000 0.287 48 Y C 2.135 178.037 175.900 0.004 0.000 1.134 48 Y CA 1.186 59.264 58.100 -0.036 0.000 1.133 48 Y CB -0.567 37.920 38.460 0.044 0.000 0.987 48 Y HN -0.115 nan 8.280 nan 0.000 0.502 49 L N 0.020 121.084 121.223 -0.266 0.000 2.201 49 L HA -0.134 4.204 4.340 -0.004 0.000 0.212 49 L C 1.822 178.592 176.870 -0.167 0.000 1.105 49 L CA 1.111 55.776 54.840 -0.290 0.000 0.775 49 L CB -0.391 41.565 42.059 -0.172 0.000 0.913 49 L HN 0.074 nan 8.230 nan 0.000 0.440 50 K N -0.404 119.918 120.400 -0.130 0.000 2.358 50 K HA 0.131 4.449 4.320 -0.004 0.000 0.197 50 K C 0.067 176.617 176.600 -0.082 0.000 1.025 50 K CA -0.072 56.157 56.287 -0.096 0.000 1.104 50 K CB 0.111 32.556 32.500 -0.092 0.000 0.855 50 K HN 0.193 nan 8.250 nan 0.000 0.531 51 N N 1.686 120.347 118.700 -0.066 0.000 2.727 51 N HA -0.157 4.581 4.740 -0.004 0.000 0.251 51 N C 0.860 176.355 175.510 -0.025 0.000 1.040 51 N CA 1.196 54.245 53.050 -0.002 0.000 0.712 51 N CB -1.638 36.840 38.487 -0.015 0.000 0.912 51 N HN 0.457 nan 8.380 nan 0.000 0.545 52 T N -4.114 110.376 114.554 -0.106 0.000 2.857 52 T HA -0.131 4.217 4.350 -0.004 0.000 0.266 52 T C 0.700 175.228 174.700 -0.288 0.000 1.048 52 T CA 0.954 62.893 62.100 -0.268 0.000 1.139 52 T CB -0.137 68.448 68.868 -0.471 0.000 0.874 52 T HN 0.294 nan 8.240 nan 0.000 0.455 53 Y N 2.105 122.496 120.300 0.152 0.000 2.594 53 Y HA 0.629 5.177 4.550 -0.003 0.000 0.342 53 Y C 0.494 176.491 175.900 0.163 0.000 1.010 53 Y CA -1.639 56.568 58.100 0.178 0.000 1.270 53 Y CB 0.307 38.931 38.460 0.273 0.000 1.125 53 Y HN 0.004 nan 8.280 nan 0.000 0.513 54 R N 2.408 123.038 120.500 0.218 0.000 2.298 54 R HA 0.356 4.694 4.340 -0.004 0.000 0.310 54 R C -1.117 175.284 176.300 0.168 0.000 1.068 54 R CA -0.564 55.631 56.100 0.159 0.000 0.957 54 R CB 0.285 30.640 30.300 0.093 0.000 1.003 54 R HN 0.564 nan 8.270 nan 0.000 0.454 55 L N 4.315 125.639 121.223 0.168 0.000 2.281 55 L HA 0.292 4.630 4.340 -0.004 0.000 0.285 55 L C -0.327 176.619 176.870 0.126 0.000 1.074 55 L CA 0.397 55.338 54.840 0.168 0.000 0.817 55 L CB 0.674 42.852 42.059 0.200 0.000 1.168 55 L HN 0.529 nan 8.230 nan 0.000 0.434 56 K N 4.660 125.129 120.400 0.114 0.000 2.118 56 K HA 0.601 4.919 4.320 -0.004 0.000 0.267 56 K C -0.848 175.790 176.600 0.063 0.000 0.991 56 K CA -0.659 55.673 56.287 0.075 0.000 0.916 56 K CB 1.315 33.853 32.500 0.064 0.000 1.041 56 K HN 0.445 nan 8.250 nan 0.000 0.455 57 L N -0.362 120.825 121.223 -0.060 0.000 2.183 57 L HA 0.568 4.906 4.340 -0.004 0.000 0.253 57 L C -0.982 175.585 176.870 -0.505 0.000 1.048 57 L CA -0.974 53.659 54.840 -0.344 0.000 0.890 57 L CB 0.191 42.202 42.059 -0.081 0.000 1.476 57 L HN 0.510 nan 8.230 nan 0.000 0.455 58 Y N -0.171 119.527 120.300 -1.002 0.000 2.563 58 Y HA 0.596 5.143 4.550 -0.004 0.000 0.351 58 Y C -0.882 174.822 175.900 -0.327 0.000 1.087 58 Y CA -0.370 57.377 58.100 -0.589 0.000 1.272 58 Y CB 1.203 39.194 38.460 -0.781 0.000 1.095 58 Y HN 0.630 nan 8.280 nan 0.000 0.620 59 S N 6.084 121.693 115.700 -0.153 0.000 2.416 59 S HA 0.524 4.992 4.470 -0.004 0.000 0.287 59 S C -0.598 173.956 174.600 -0.076 0.000 1.139 59 S CA -0.536 57.625 58.200 -0.066 0.000 1.058 59 S CB -0.124 63.054 63.200 -0.037 0.000 0.967 59 S HN 0.556 nan 8.310 nan 0.000 0.495 60 L N 1.466 122.604 121.223 -0.143 0.000 2.303 60 L HA 0.779 5.116 4.340 -0.004 0.000 0.266 60 L C -0.252 176.506 176.870 -0.186 0.000 1.011 60 L CA -0.937 53.773 54.840 -0.216 0.000 0.818 60 L CB 0.857 42.501 42.059 -0.692 0.000 1.326 60 L HN 0.333 nan 8.230 nan 0.000 0.435 61 R N 0.753 121.189 120.500 -0.106 0.000 2.435 61 R HA 0.366 4.704 4.340 -0.004 0.000 0.308 61 R C -1.723 174.598 176.300 0.035 0.000 0.975 61 R CA -0.289 55.802 56.100 -0.015 0.000 0.867 61 R CB 1.206 31.538 30.300 0.053 0.000 1.171 61 R HN 0.682 nan 8.270 nan 0.000 0.470 62 W N 4.417 125.809 121.300 0.152 0.000 2.253 62 W HA 0.136 4.794 4.660 -0.003 0.000 0.322 62 W C 1.581 178.172 176.519 0.120 0.000 1.342 62 W CA -0.428 57.018 57.345 0.169 0.000 1.218 62 W CB 0.518 30.069 29.460 0.151 0.000 1.205 62 W HN 0.651 nan 8.180 nan 0.000 0.551 63 I N 0.292 121.075 120.570 0.356 0.000 4.139 63 I HA 0.301 4.469 4.170 -0.004 0.000 0.335 63 I C 0.657 176.878 176.117 0.174 0.000 1.327 63 I CA -0.047 61.371 61.300 0.196 0.000 1.112 63 I CB -0.045 38.009 38.000 0.091 0.000 1.058 63 I HN 0.270 nan 8.210 nan 0.000 0.396 64 S N -0.500 115.332 115.700 0.221 0.000 2.873 64 S HA 0.279 4.747 4.470 -0.004 0.000 0.303 64 S C -0.125 174.477 174.600 0.002 0.000 1.222 64 S CA -0.146 58.101 58.200 0.079 0.000 0.923 64 S CB 1.273 64.498 63.200 0.042 0.000 1.286 64 S HN 0.062 nan 8.310 nan 0.000 0.571 65 D N -0.040 120.198 120.400 -0.270 0.000 2.355 65 D HA 0.159 4.797 4.640 -0.004 0.000 0.218 65 D C 0.899 177.086 176.300 -0.190 0.000 1.004 65 D CA 0.961 54.772 54.000 -0.316 0.000 0.880 65 D CB -0.042 40.559 40.800 -0.331 0.000 0.911 65 D HN 0.659 nan 8.370 nan 0.000 0.528 66 H N -2.406 116.853 119.070 0.315 0.000 3.394 66 H HA 0.378 4.932 4.556 -0.004 0.000 0.256 66 H C -0.418 175.090 175.328 0.299 0.000 1.180 66 H CA -0.345 55.907 56.048 0.340 0.000 1.064 66 H CB 0.287 30.239 29.762 0.316 0.000 1.854 66 H HN 0.036 nan 8.280 nan 0.000 0.731 67 E N 1.436 121.923 120.200 0.479 0.000 2.314 67 E HA 0.377 4.725 4.350 -0.004 0.000 0.272 67 E C -1.552 175.291 176.600 0.404 0.000 0.884 67 E CA -1.099 55.497 56.400 0.328 0.000 0.753 67 E CB 3.222 33.055 29.700 0.222 0.000 1.213 67 E HN 0.272 nan 8.360 nan 0.000 0.432 68 Y N -0.469 119.891 120.300 0.101 0.000 2.581 68 Y HA 0.639 5.187 4.550 -0.004 0.000 0.345 68 Y C -1.498 174.398 175.900 -0.007 0.000 1.036 68 Y CA -1.302 56.737 58.100 -0.101 0.000 1.042 68 Y CB 0.892 38.947 38.460 -0.676 0.000 1.289 68 Y HN 0.329 nan 8.280 nan 0.000 0.471 69 L N 3.088 124.434 121.223 0.206 0.000 2.322 69 L HA 0.511 4.848 4.340 -0.004 0.000 0.279 69 L C -1.292 175.780 176.870 0.337 0.000 1.036 69 L CA -0.989 53.949 54.840 0.163 0.000 0.807 69 L CB 1.560 43.627 42.059 0.013 0.000 1.226 69 L HN 0.783 nan 8.230 nan 0.000 0.433 70 Y N 2.071 122.477 120.300 0.176 0.000 2.479 70 Y HA 0.354 4.901 4.550 -0.003 0.000 0.338 70 Y C -1.052 174.883 175.900 0.057 0.000 1.055 70 Y CA -1.334 56.801 58.100 0.059 0.000 1.023 70 Y CB 1.580 40.050 38.460 0.017 0.000 1.287 70 Y HN 0.418 nan 8.280 nan 0.000 0.447 71 K N 4.904 124.904 120.400 -0.666 0.000 2.227 71 K HA 0.338 4.656 4.320 -0.004 0.000 0.280 71 K C -0.962 175.196 176.600 -0.736 0.000 1.041 71 K CA -0.649 55.335 56.287 -0.506 0.000 0.905 71 K CB 1.352 33.667 32.500 -0.308 0.000 1.068 71 K HN 0.645 nan 8.250 nan 0.000 0.470 72 Q N 2.933 122.535 119.800 -0.330 0.000 2.295 72 Q HA 0.078 4.416 4.340 -0.004 0.000 0.259 72 Q C -1.292 174.655 176.000 -0.089 0.000 0.966 72 Q CA -0.196 55.499 55.803 -0.180 0.000 0.763 72 Q CB 0.933 29.692 28.738 0.035 0.000 1.283 72 Q HN 0.691 nan 8.270 nan 0.000 0.445 73 E N 3.050 123.200 120.200 -0.084 0.000 2.358 73 E HA -0.275 4.073 4.350 -0.004 0.000 0.246 73 E C -0.414 176.148 176.600 -0.064 0.000 1.127 73 E CA 0.581 56.948 56.400 -0.055 0.000 0.726 73 E CB -1.316 28.366 29.700 -0.029 0.000 1.272 73 E HN 0.988 nan 8.360 nan 0.000 0.390 74 N N -1.288 117.362 118.700 -0.083 0.000 2.863 74 N HA -0.185 4.553 4.740 -0.004 0.000 0.245 74 N C -0.776 174.683 175.510 -0.085 0.000 1.001 74 N CA 1.585 54.589 53.050 -0.077 0.000 0.901 74 N CB -0.576 37.878 38.487 -0.055 0.000 1.124 74 N HN 0.452 nan 8.380 nan 0.000 0.582 75 N N 0.417 119.064 118.700 -0.088 0.000 2.456 75 N HA 0.445 5.183 4.740 -0.004 0.000 0.296 75 N C -0.279 175.180 175.510 -0.085 0.000 1.102 75 N CA -0.317 52.685 53.050 -0.080 0.000 0.924 75 N CB 1.193 39.646 38.487 -0.057 0.000 1.186 75 N HN 0.101 nan 8.380 nan 0.000 0.492 76 I N 2.820 123.352 120.570 -0.065 0.000 2.307 76 I HA 0.220 4.388 4.170 -0.004 0.000 0.289 76 I C -0.578 175.574 176.117 0.057 0.000 1.021 76 I CA -0.593 60.684 61.300 -0.038 0.000 1.224 76 I CB 0.730 38.675 38.000 -0.090 0.000 1.376 76 I HN 0.141 nan 8.210 nan 0.000 0.470 77 L N 7.113 128.382 121.223 0.077 0.000 2.344 77 L HA 0.527 4.865 4.340 -0.004 0.000 0.272 77 L C -0.141 176.774 176.870 0.074 0.000 1.035 77 L CA -0.656 54.216 54.840 0.054 0.000 0.807 77 L CB 1.659 43.711 42.059 -0.011 0.000 1.237 77 L HN 0.269 nan 8.230 nan 0.000 0.442 78 V N 2.450 122.346 119.914 -0.031 0.000 2.417 78 V HA 0.548 4.665 4.120 -0.004 0.000 0.291 78 V C -0.969 174.996 176.094 -0.215 0.000 1.024 78 V CA -0.291 61.984 62.300 -0.043 0.000 0.861 78 V CB 0.993 32.852 31.823 0.061 0.000 0.985 78 V HN 0.496 nan 8.190 nan 0.000 0.436 79 F N 5.269 124.975 119.950 -0.407 0.000 2.458 79 F HA 0.494 5.019 4.527 -0.004 0.000 0.330 79 F C 0.586 176.134 175.800 -0.420 0.000 1.082 79 F CA -0.489 57.193 58.000 -0.529 0.000 0.995 79 F CB 1.637 39.975 39.000 -1.103 0.000 1.170 79 F HN 0.498 nan 8.300 nan 0.000 0.478 80 N N 2.088 120.760 118.700 -0.046 0.000 2.439 80 N HA 0.224 4.962 4.740 -0.004 0.000 0.249 80 N C 0.518 176.004 175.510 -0.040 0.000 1.003 80 N CA 0.095 53.149 53.050 0.008 0.000 0.942 80 N CB 1.686 40.224 38.487 0.086 0.000 1.115 80 N HN 0.828 nan 8.380 nan 0.000 0.505 81 A N 4.075 126.839 122.820 -0.093 0.000 1.917 81 A HA -0.208 4.110 4.320 -0.004 0.000 0.219 81 A C 1.907 179.236 177.584 -0.426 0.000 1.182 81 A CA 1.619 53.508 52.037 -0.247 0.000 0.633 81 A CB -0.541 18.128 19.000 -0.552 0.000 0.819 81 A HN 0.872 nan 8.150 nan 0.000 0.448 82 E N -1.640 118.254 120.200 -0.511 0.000 2.058 82 E HA -0.220 4.128 4.350 -0.004 0.000 0.194 82 E C 1.441 177.675 176.600 -0.610 0.000 0.997 82 E CA 1.844 57.913 56.400 -0.553 0.000 0.801 82 E CB -0.165 29.079 29.700 -0.759 0.000 0.746 82 E HN 0.837 nan 8.360 nan 0.000 0.450 83 Y N -2.232 118.061 120.300 -0.012 0.000 2.442 83 Y HA 0.316 4.864 4.550 -0.004 0.000 0.250 83 Y C 1.483 177.389 175.900 0.010 0.000 1.113 83 Y CA 0.060 58.160 58.100 -0.000 0.000 1.273 83 Y CB 1.345 39.803 38.460 -0.003 0.000 1.138 83 Y HN 0.205 nan 8.280 nan 0.000 0.522 84 G N 1.194 110.066 108.800 0.120 0.000 2.179 84 G HA2 -0.321 3.637 3.960 -0.004 0.000 0.260 84 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.260 84 G C -0.027 174.993 174.900 0.200 0.000 0.977 84 G CA 0.222 45.421 45.100 0.165 0.000 0.641 84 G HN 0.465 nan 8.290 nan 0.000 0.533 85 N N 0.537 119.310 118.700 0.121 0.000 2.513 85 N HA 0.603 5.341 4.740 -0.004 0.000 0.274 85 N C 0.160 175.573 175.510 -0.163 0.000 1.189 85 N CA 0.640 53.692 53.050 0.002 0.000 0.975 85 N CB 1.682 40.172 38.487 0.006 0.000 1.157 85 N HN 0.875 nan 8.380 nan 0.000 0.465 86 S N 0.101 115.602 115.700 -0.331 0.000 2.806 86 S HA 0.802 5.270 4.470 -0.004 0.000 0.306 86 S C -0.769 173.638 174.600 -0.321 0.000 1.167 86 S CA -0.738 57.132 58.200 -0.551 0.000 0.847 86 S CB 1.506 63.885 63.200 -1.368 0.000 1.216 86 S HN 0.670 nan 8.310 nan 0.000 0.532 87 S N -0.661 114.864 115.700 -0.293 0.000 2.615 87 S HA 0.561 5.029 4.470 -0.004 0.000 0.269 87 S C -1.365 173.170 174.600 -0.108 0.000 1.161 87 S CA -0.725 57.383 58.200 -0.154 0.000 0.817 87 S CB 1.470 64.617 63.200 -0.089 0.000 1.131 87 S HN 0.782 nan 8.310 nan 0.000 0.467 88 V N 2.678 122.551 119.914 -0.069 0.000 2.455 88 V HA 0.252 4.369 4.120 -0.004 0.000 0.273 88 V C 0.360 176.460 176.094 0.010 0.000 1.045 88 V CA 0.147 62.426 62.300 -0.035 0.000 0.976 88 V CB 0.261 32.047 31.823 -0.061 0.000 0.993 88 V HN 0.920 nan 8.190 nan 0.000 0.475 89 F N 5.340 125.237 119.950 -0.087 0.000 2.317 89 F HA 0.396 4.921 4.527 -0.003 0.000 0.293 89 F C 0.469 176.225 175.800 -0.074 0.000 1.085 89 F CA 0.710 58.671 58.000 -0.065 0.000 1.390 89 F CB 0.592 39.568 39.000 -0.041 0.000 1.077 89 F HN 0.363 nan 8.300 nan 0.000 0.517 90 L N 1.285 122.529 121.223 0.036 0.000 2.676 90 L HA 0.276 4.614 4.340 -0.004 0.000 0.262 90 L C -0.810 175.994 176.870 -0.109 0.000 0.965 90 L CA -0.550 54.237 54.840 -0.088 0.000 0.920 90 L CB 0.905 42.959 42.059 -0.008 0.000 1.260 90 L HN -0.120 nan 8.230 nan 0.000 0.422 91 E N 1.206 121.316 120.200 -0.150 0.000 2.467 91 E HA -0.033 4.315 4.350 -0.004 0.000 0.264 91 E C 1.144 177.650 176.600 -0.156 0.000 1.020 91 E CA 0.734 57.051 56.400 -0.138 0.000 0.945 91 E CB 0.756 30.369 29.700 -0.145 0.000 0.942 91 E HN 0.616 nan 8.360 nan 0.000 0.449 92 N N 0.685 119.317 118.700 -0.114 0.000 2.364 92 N HA -0.200 4.538 4.740 -0.004 0.000 0.183 92 N C 0.987 176.431 175.510 -0.109 0.000 1.022 92 N CA 1.392 54.383 53.050 -0.098 0.000 0.883 92 N CB -0.203 38.242 38.487 -0.071 0.000 0.965 92 N HN 0.280 nan 8.380 nan 0.000 0.438 93 S N -2.399 113.222 115.700 -0.131 0.000 2.631 93 S HA 0.094 4.562 4.470 -0.004 0.000 0.217 93 S C 1.293 175.763 174.600 -0.216 0.000 0.958 93 S CA 0.005 58.126 58.200 -0.131 0.000 0.920 93 S CB -0.677 62.460 63.200 -0.104 0.000 0.776 93 S HN 0.246 nan 8.310 nan 0.000 0.517 94 T N 1.673 116.011 114.554 -0.360 0.000 2.746 94 T HA 0.046 4.393 4.350 -0.004 0.000 0.267 94 T C 0.057 174.233 174.700 -0.874 0.000 1.039 94 T CA 1.162 62.840 62.100 -0.703 0.000 1.142 94 T CB -0.389 67.826 68.868 -1.088 0.000 0.866 94 T HN 0.578 nan 8.240 nan 0.000 0.444 95 F N 1.090 120.941 119.950 -0.165 0.000 2.893 95 F HA 0.392 4.917 4.527 -0.003 0.000 0.340 95 F C 0.628 176.412 175.800 -0.025 0.000 1.300 95 F CA -1.288 56.643 58.000 -0.115 0.000 1.227 95 F CB 0.134 38.977 39.000 -0.260 0.000 1.044 95 F HN -0.055 nan 8.300 nan 0.000 0.512 96 D N 0.060 120.492 120.400 0.052 0.000 2.277 96 D HA -0.048 4.590 4.640 -0.004 0.000 0.208 96 D C 1.497 177.832 176.300 0.058 0.000 0.962 96 D CA 1.087 55.112 54.000 0.042 0.000 0.865 96 D CB 0.243 41.036 40.800 -0.011 0.000 0.939 96 D HN 0.132 nan 8.370 nan 0.000 0.510 97 E N -1.039 119.209 120.200 0.080 0.000 2.558 97 E HA 0.144 4.492 4.350 -0.004 0.000 0.205 97 E C 0.608 177.260 176.600 0.087 0.000 1.006 97 E CA -0.335 56.096 56.400 0.052 0.000 0.961 97 E CB -0.245 29.469 29.700 0.024 0.000 1.044 97 E HN 0.118 nan 8.360 nan 0.000 0.465 98 F N 0.779 120.734 119.950 0.009 0.000 2.333 98 F HA 0.025 4.550 4.527 -0.004 0.000 0.300 98 F C 1.747 177.467 175.800 -0.135 0.000 1.083 98 F CA 1.661 59.651 58.000 -0.016 0.000 1.395 98 F CB 0.109 39.105 39.000 -0.007 0.000 1.056 98 F HN 0.212 nan 8.300 nan 0.000 0.529 99 G N -0.732 107.945 108.800 -0.205 0.000 2.179 99 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.260 99 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.260 99 G C 0.163 174.680 174.900 -0.639 0.000 0.977 99 G CA 0.492 45.326 45.100 -0.444 0.000 0.641 99 G HN 0.552 nan 8.290 nan 0.000 0.533 100 H N -0.754 118.274 119.070 -0.070 0.000 3.016 100 H HA 0.587 5.142 4.556 -0.003 0.000 0.362 100 H C -0.627 174.806 175.328 0.175 0.000 1.233 100 H CA -0.033 56.041 56.048 0.044 0.000 1.124 100 H CB 1.453 31.172 29.762 -0.072 0.000 1.850 100 H HN 0.172 nan 8.280 nan 0.000 0.549 101 S N 1.997 117.863 115.700 0.276 0.000 2.416 101 S HA 0.281 4.749 4.470 -0.004 0.000 0.287 101 S C 0.237 174.926 174.600 0.148 0.000 1.139 101 S CA -0.679 57.619 58.200 0.165 0.000 1.058 101 S CB -0.754 62.516 63.200 0.116 0.000 0.967 101 S HN 0.361 nan 8.310 nan 0.000 0.495 102 I N 5.693 126.292 120.570 0.050 0.000 2.505 102 I HA 0.081 4.249 4.170 -0.004 0.000 0.287 102 I C 1.518 177.626 176.117 -0.015 0.000 1.104 102 I CA -0.269 61.006 61.300 -0.042 0.000 1.387 102 I CB 0.581 38.430 38.000 -0.251 0.000 1.404 102 I HN 0.728 nan 8.210 nan 0.000 0.528 103 N N 4.164 122.858 118.700 -0.011 0.000 2.207 103 N HA -0.079 4.659 4.740 -0.004 0.000 0.182 103 N C 0.072 175.528 175.510 -0.089 0.000 1.020 103 N CA 1.234 54.235 53.050 -0.081 0.000 0.858 103 N CB 0.378 38.783 38.487 -0.136 0.000 0.991 103 N HN 0.661 nan 8.380 nan 0.000 0.427 104 D N -2.776 117.600 120.400 -0.040 0.000 2.639 104 D HA 0.204 4.842 4.640 -0.004 0.000 0.271 104 D C -1.682 174.672 176.300 0.091 0.000 1.254 104 D CA -0.515 53.481 54.000 -0.006 0.000 0.810 104 D CB 0.948 41.701 40.800 -0.078 0.000 1.351 104 D HN 0.097 nan 8.370 nan 0.000 0.427 105 Y N -1.327 118.984 120.300 0.019 0.000 2.615 105 Y HA 0.758 5.306 4.550 -0.003 0.000 0.341 105 Y C -1.210 174.774 175.900 0.140 0.000 1.089 105 Y CA -0.990 57.147 58.100 0.061 0.000 1.049 105 Y CB 1.699 40.179 38.460 0.034 0.000 1.296 105 Y HN 0.156 nan 8.280 nan 0.000 0.470 106 S N 2.023 117.900 115.700 0.295 0.000 2.649 106 S HA 0.633 5.100 4.470 -0.004 0.000 0.274 106 S C -1.716 173.188 174.600 0.506 0.000 1.176 106 S CA -0.439 57.940 58.200 0.299 0.000 0.988 106 S CB 0.396 63.794 63.200 0.330 0.000 1.071 106 S HN 0.628 nan 8.310 nan 0.000 0.478 107 I N 4.270 125.035 120.570 0.326 0.000 2.472 107 I HA 0.327 4.494 4.170 -0.004 0.000 0.290 107 I C 0.917 176.882 176.117 -0.253 0.000 1.016 107 I CA 0.128 61.526 61.300 0.164 0.000 1.348 107 I CB 1.743 39.843 38.000 0.167 0.000 1.417 107 I HN 0.745 nan 8.210 nan 0.000 0.521 108 S N 5.633 120.888 115.700 -0.741 0.000 2.572 108 S HA 0.227 4.694 4.470 -0.004 0.000 0.279 108 S C -1.860 172.464 174.600 -0.460 0.000 1.341 108 S CA -0.848 56.562 58.200 -1.316 0.000 1.043 108 S CB 0.514 62.820 63.200 -1.490 0.000 0.887 108 S HN 0.444 nan 8.310 nan 0.000 0.516 109 P HA -0.153 nan 4.420 nan 0.000 0.217 109 P C 0.703 177.963 177.300 -0.067 0.000 1.148 109 P CA 1.573 64.607 63.100 -0.109 0.000 0.834 109 P CB -0.139 31.515 31.700 -0.077 0.000 0.783 110 D N -2.242 118.114 120.400 -0.074 0.000 2.328 110 D HA 0.096 4.734 4.640 -0.004 0.000 0.226 110 D C 1.384 177.686 176.300 0.002 0.000 1.066 110 D CA 0.439 54.434 54.000 -0.008 0.000 0.861 110 D CB -1.155 39.668 40.800 0.039 0.000 0.912 110 D HN 0.188 nan 8.370 nan 0.000 0.521 111 G N 0.584 109.373 108.800 -0.018 0.000 2.175 111 G HA2 -0.427 3.530 3.960 -0.004 0.000 0.265 111 G HA3 -0.427 3.530 3.960 -0.004 0.000 0.265 111 G C 0.969 175.858 174.900 -0.019 0.000 0.979 111 G CA 0.713 45.841 45.100 0.046 0.000 0.663 111 G HN 0.476 nan 8.290 nan 0.000 0.533 112 Q N -1.648 118.084 119.800 -0.114 0.000 2.331 112 Q HA 0.348 4.685 4.340 -0.004 0.000 0.203 112 Q C 0.341 175.899 176.000 -0.736 0.000 0.944 112 Q CA 0.666 56.228 55.803 -0.401 0.000 0.892 112 Q CB 0.293 28.776 28.738 -0.426 0.000 0.983 112 Q HN 0.597 nan 8.270 nan 0.000 0.482 113 F N -0.823 119.071 119.950 -0.093 0.000 2.629 113 F HA 0.517 5.041 4.527 -0.004 0.000 0.316 113 F C -0.637 175.242 175.800 0.132 0.000 1.081 113 F CA -1.229 56.785 58.000 0.024 0.000 0.954 113 F CB 1.704 40.750 39.000 0.076 0.000 1.337 113 F HN -0.225 nan 8.300 nan 0.000 0.474 114 I N 2.471 123.372 120.570 0.553 0.000 2.533 114 I HA 0.520 4.688 4.170 -0.004 0.000 0.290 114 I C -1.898 174.573 176.117 0.590 0.000 1.056 114 I CA -1.053 60.573 61.300 0.543 0.000 1.057 114 I CB 1.658 39.941 38.000 0.472 0.000 1.240 114 I HN 0.543 nan 8.210 nan 0.000 0.423 115 L N 8.269 129.873 121.223 0.635 0.000 2.265 115 L HA 0.502 4.840 4.340 -0.004 0.000 0.288 115 L C -1.292 175.755 176.870 0.294 0.000 1.058 115 L CA -0.036 55.064 54.840 0.434 0.000 0.809 115 L CB 0.991 43.245 42.059 0.325 0.000 1.179 115 L HN 0.504 nan 8.230 nan 0.000 0.429 116 L N 5.220 126.544 121.223 0.170 0.000 2.287 116 L HA 0.504 4.842 4.340 -0.004 0.000 0.287 116 L C -0.071 176.846 176.870 0.079 0.000 1.022 116 L CA -0.432 54.401 54.840 -0.012 0.000 0.814 116 L CB 1.519 43.326 42.059 -0.421 0.000 1.217 116 L HN 0.623 nan 8.230 nan 0.000 0.420 117 E N 3.916 124.119 120.200 0.005 0.000 2.175 117 E HA 0.470 4.818 4.350 -0.004 0.000 0.278 117 E C -1.626 174.957 176.600 -0.029 0.000 0.969 117 E CA -0.498 55.768 56.400 -0.224 0.000 0.796 117 E CB 1.239 30.835 29.700 -0.173 0.000 1.104 117 E HN 0.446 nan 8.360 nan 0.000 0.395 118 Y N 1.466 121.586 120.300 -0.300 0.000 2.689 118 Y HA 0.432 4.981 4.550 -0.003 0.000 0.333 118 Y C -0.214 175.591 175.900 -0.159 0.000 1.190 118 Y CA -1.667 56.347 58.100 -0.144 0.000 1.063 118 Y CB 0.423 38.873 38.460 -0.018 0.000 1.294 118 Y HN 0.554 nan 8.280 nan 0.000 0.466 119 N N -0.478 118.185 118.700 -0.062 0.000 2.747 119 N HA -0.292 4.446 4.740 -0.004 0.000 0.249 119 N C -0.978 174.476 175.510 -0.094 0.000 1.107 119 N CA 0.993 53.957 53.050 -0.143 0.000 0.707 119 N CB -1.585 36.684 38.487 -0.363 0.000 1.054 119 N HN 0.865 nan 8.380 nan 0.000 0.555 120 Y N 0.444 120.657 120.300 -0.145 0.000 2.650 120 Y HA 0.248 4.795 4.550 -0.004 0.000 0.331 120 Y C -0.014 175.839 175.900 -0.078 0.000 1.165 120 Y CA 0.065 58.082 58.100 -0.138 0.000 1.473 120 Y CB 0.587 38.924 38.460 -0.206 0.000 1.224 120 Y HN -0.010 nan 8.280 nan 0.000 0.533 121 V N 8.297 127.856 119.914 -0.591 0.000 2.380 121 V HA 0.194 4.312 4.120 -0.004 0.000 0.286 121 V C -0.106 175.598 176.094 -0.650 0.000 1.015 121 V CA -1.385 60.623 62.300 -0.487 0.000 0.834 121 V CB 1.107 32.791 31.823 -0.231 0.000 1.009 121 V HN 0.744 nan 8.190 nan 0.000 0.428 122 K N 3.700 123.675 120.400 -0.709 0.000 2.414 122 K HA 0.172 4.490 4.320 -0.004 0.000 0.272 122 K C 0.377 176.812 176.600 -0.274 0.000 0.993 122 K CA 0.331 56.373 56.287 -0.408 0.000 0.964 122 K CB 1.103 33.548 32.500 -0.092 0.000 0.925 122 K HN 0.820 nan 8.250 nan 0.000 0.487 123 Q N 2.565 122.203 119.800 -0.270 0.000 2.489 123 Q HA 0.182 4.520 4.340 -0.004 0.000 0.202 123 Q C -0.063 175.714 176.000 -0.370 0.000 0.853 123 Q CA -0.479 54.988 55.803 -0.561 0.000 0.539 123 Q CB 0.189 28.418 28.738 -0.848 0.000 3.308 123 Q HN 0.734 nan 8.270 nan 0.000 0.362 124 W N 0.321 121.606 121.300 -0.025 0.000 1.836 124 W HA 0.331 4.989 4.660 -0.003 0.000 0.628 124 W C 1.798 178.295 176.519 -0.037 0.000 1.626 124 W CA -0.424 56.931 57.345 0.017 0.000 1.714 124 W CB -0.170 29.256 29.460 -0.057 0.000 3.166 124 W HN 0.351 nan 8.180 nan 0.000 0.772 125 R N -0.587 120.006 120.500 0.155 0.000 2.096 125 R HA -0.140 4.198 4.340 -0.004 0.000 0.235 125 R C 1.673 177.798 176.300 -0.292 0.000 1.127 125 R CA 1.983 58.006 56.100 -0.130 0.000 0.968 125 R CB -0.481 29.634 30.300 -0.309 0.000 0.861 125 R HN 0.465 nan 8.270 nan 0.000 0.440 126 H N -0.989 118.147 119.070 0.110 0.000 2.927 126 H HA 0.221 4.775 4.556 -0.004 0.000 0.255 126 H C 0.387 175.791 175.328 0.127 0.000 0.974 126 H CA 0.544 56.680 56.048 0.147 0.000 1.199 126 H CB 0.271 30.100 29.762 0.111 0.000 1.447 126 H HN 0.231 nan 8.280 nan 0.000 0.467 127 S N 1.306 116.973 115.700 -0.055 0.000 2.592 127 S HA 0.384 4.851 4.470 -0.004 0.000 0.271 127 S C -0.335 174.117 174.600 -0.246 0.000 1.326 127 S CA -0.464 57.388 58.200 -0.581 0.000 1.024 127 S CB 0.779 63.074 63.200 -1.508 0.000 0.921 127 S HN 0.437 nan 8.310 nan 0.000 0.527 128 Y N -2.361 117.785 120.300 -0.257 0.000 2.732 128 Y HA 0.632 5.180 4.550 -0.003 0.000 0.342 128 Y C -0.858 175.014 175.900 -0.047 0.000 1.203 128 Y CA -0.937 57.028 58.100 -0.225 0.000 1.092 128 Y CB 0.403 38.718 38.460 -0.242 0.000 1.345 128 Y HN 0.881 nan 8.280 nan 0.000 0.458 129 T N 0.030 114.644 114.554 0.100 0.000 2.932 129 T HA 1.027 5.375 4.350 -0.004 0.000 0.289 129 T C -0.409 174.386 174.700 0.159 0.000 1.039 129 T CA -0.137 62.041 62.100 0.130 0.000 1.024 129 T CB 1.812 70.701 68.868 0.035 0.000 1.090 129 T HN 1.864 nan 8.240 nan 0.000 0.496 130 A N 0.919 123.822 122.820 0.139 0.000 2.564 130 A HA 0.782 5.100 4.320 -0.004 0.000 0.291 130 A C -0.627 176.797 177.584 -0.266 0.000 1.102 130 A CA -0.985 50.992 52.037 -0.099 0.000 0.660 130 A CB 1.043 19.961 19.000 -0.136 0.000 1.283 130 A HN 0.847 nan 8.150 nan 0.000 0.430 131 S N -0.787 114.503 115.700 -0.682 0.000 2.638 131 S HA 0.841 5.309 4.470 -0.004 0.000 0.298 131 S C -1.539 172.480 174.600 -0.969 0.000 1.111 131 S CA -0.105 57.622 58.200 -0.789 0.000 1.027 131 S CB 0.763 63.171 63.200 -1.320 0.000 1.064 131 S HN 0.466 nan 8.310 nan 0.000 0.525 132 Y N -0.020 120.112 120.300 -0.279 0.000 2.534 132 Y HA 0.503 5.051 4.550 -0.003 0.000 0.345 132 Y C -0.388 175.617 175.900 0.175 0.000 1.031 132 Y CA -0.945 57.155 58.100 0.001 0.000 1.022 132 Y CB 1.761 40.142 38.460 -0.132 0.000 1.292 132 Y HN 0.493 nan 8.280 nan 0.000 0.459 133 D N 1.943 122.588 120.400 0.407 0.000 2.671 133 D HA 0.567 5.205 4.640 -0.004 0.000 0.232 133 D C -1.007 175.434 176.300 0.236 0.000 1.114 133 D CA -0.337 53.852 54.000 0.315 0.000 0.858 133 D CB 2.764 43.815 40.800 0.418 0.000 1.544 133 D HN 0.408 nan 8.370 nan 0.000 0.471 134 I N 1.709 122.413 120.570 0.224 0.000 2.441 134 I HA 0.266 4.434 4.170 -0.004 0.000 0.295 134 I C -0.963 175.384 176.117 0.384 0.000 0.994 134 I CA -0.951 60.522 61.300 0.289 0.000 1.144 134 I CB 1.581 39.699 38.000 0.197 0.000 1.314 134 I HN 0.230 nan 8.210 nan 0.000 0.445 135 Y N 5.214 125.700 120.300 0.311 0.000 2.335 135 Y HA 0.297 4.844 4.550 -0.004 0.000 0.338 135 Y C -0.255 175.841 175.900 0.327 0.000 0.977 135 Y CA -0.786 57.493 58.100 0.299 0.000 1.114 135 Y CB 1.224 39.870 38.460 0.310 0.000 1.182 135 Y HN 0.471 nan 8.280 nan 0.000 0.463 136 D N 6.471 126.750 120.400 -0.201 0.000 2.352 136 D HA 0.086 4.724 4.640 -0.004 0.000 0.245 136 D C 0.850 176.820 176.300 -0.549 0.000 1.224 136 D CA 0.335 54.162 54.000 -0.289 0.000 0.879 136 D CB 0.859 41.543 40.800 -0.193 0.000 1.057 136 D HN 0.877 nan 8.370 nan 0.000 0.491 137 L N 3.557 124.566 121.223 -0.356 0.000 2.131 137 L HA -0.181 4.157 4.340 -0.004 0.000 0.210 137 L C 2.000 178.711 176.870 -0.265 0.000 1.092 137 L CA 0.626 55.335 54.840 -0.219 0.000 0.759 137 L CB -0.282 41.688 42.059 -0.149 0.000 0.903 137 L HN 0.363 nan 8.230 nan 0.000 0.435 138 N N 1.192 119.704 118.700 -0.314 0.000 2.083 138 N HA -0.151 4.587 4.740 -0.004 0.000 0.190 138 N C 1.502 176.889 175.510 -0.206 0.000 1.047 138 N CA 1.400 54.308 53.050 -0.237 0.000 0.845 138 N CB -0.319 38.029 38.487 -0.232 0.000 1.025 138 N HN 0.428 nan 8.380 nan 0.000 0.428 139 K N 1.690 121.957 120.400 -0.222 0.000 2.591 139 K HA 0.144 4.462 4.320 -0.004 0.000 0.197 139 K C -0.357 176.116 176.600 -0.211 0.000 1.026 139 K CA -0.087 56.095 56.287 -0.175 0.000 1.127 139 K CB -0.073 32.344 32.500 -0.139 0.000 0.871 139 K HN 0.028 nan 8.250 nan 0.000 0.507 140 R N 1.192 121.519 120.500 -0.289 0.000 3.118 140 R HA -0.235 4.103 4.340 -0.004 0.000 0.238 140 R C -0.683 175.404 176.300 -0.354 0.000 0.884 140 R CA 0.873 56.784 56.100 -0.315 0.000 0.601 140 R CB -1.847 28.424 30.300 -0.048 0.000 1.009 140 R HN 0.665 nan 8.270 nan 0.000 0.478 141 Q N 0.686 120.134 119.800 -0.586 0.000 2.347 141 Q HA 0.432 4.769 4.340 -0.004 0.000 0.271 141 Q C -1.241 174.619 176.000 -0.232 0.000 1.064 141 Q CA -0.994 54.658 55.803 -0.252 0.000 0.800 141 Q CB 1.689 30.360 28.738 -0.111 0.000 1.304 141 Q HN 0.255 nan 8.270 nan 0.000 0.438 142 L N 4.572 125.898 121.223 0.171 0.000 2.360 142 L HA 0.373 4.711 4.340 -0.004 0.000 0.276 142 L C -0.756 176.229 176.870 0.191 0.000 1.121 142 L CA 0.217 55.266 54.840 0.349 0.000 0.845 142 L CB 0.633 42.975 42.059 0.472 0.000 1.143 142 L HN 0.639 nan 8.230 nan 0.000 0.452 143 I N 4.540 125.221 120.570 0.185 0.000 2.471 143 I HA 0.074 4.242 4.170 -0.004 0.000 0.286 143 I C 1.080 177.258 176.117 0.101 0.000 1.079 143 I CA 0.274 61.647 61.300 0.121 0.000 1.398 143 I CB 0.860 38.925 38.000 0.109 0.000 1.403 143 I HN 0.809 nan 8.210 nan 0.000 0.530 144 T N 0.959 115.553 114.554 0.067 0.000 3.044 144 T HA 0.155 4.503 4.350 -0.004 0.000 0.260 144 T C 0.347 175.056 174.700 0.015 0.000 1.019 144 T CA -0.452 61.676 62.100 0.047 0.000 0.921 144 T CB -0.120 68.772 68.868 0.041 0.000 1.053 144 T HN 0.687 nan 8.240 nan 0.000 0.533 145 E N 1.044 121.247 120.200 0.006 0.000 2.202 145 E HA 0.410 4.758 4.350 -0.004 0.000 0.272 145 E C -0.771 175.806 176.600 -0.038 0.000 0.951 145 E CA -0.889 55.501 56.400 -0.016 0.000 0.813 145 E CB 0.836 30.529 29.700 -0.010 0.000 1.151 145 E HN -0.076 nan 8.360 nan 0.000 0.398 146 E N 0.980 121.144 120.200 -0.060 0.000 2.297 146 E HA -0.209 4.139 4.350 -0.004 0.000 0.228 146 E C -0.746 175.784 176.600 -0.117 0.000 1.213 146 E CA 0.692 57.038 56.400 -0.090 0.000 0.712 146 E CB -1.327 28.329 29.700 -0.073 0.000 1.202 146 E HN 0.583 nan 8.360 nan 0.000 0.376 147 R N -0.234 120.193 120.500 -0.121 0.000 2.694 147 R HA 0.328 4.666 4.340 -0.004 0.000 0.268 147 R C 1.174 177.311 176.300 -0.272 0.000 1.061 147 R CA -0.389 55.626 56.100 -0.142 0.000 1.133 147 R CB 0.504 30.753 30.300 -0.084 0.000 1.020 147 R HN 0.123 nan 8.270 nan 0.000 0.475 148 I N 3.874 124.243 120.570 -0.334 0.000 2.710 148 I HA 0.011 4.178 4.170 -0.004 0.000 0.286 148 I C -1.696 174.123 176.117 -0.497 0.000 1.181 148 I CA -1.497 59.436 61.300 -0.612 0.000 1.430 148 I CB 0.415 38.050 38.000 -0.610 0.000 1.367 148 I HN 0.331 nan 8.210 nan 0.000 0.577 149 P HA 0.056 nan 4.420 nan 0.000 0.271 149 P C -0.861 176.241 177.300 -0.330 0.000 1.233 149 P CA -0.311 62.410 63.100 -0.632 0.000 0.789 149 P CB 0.382 31.270 31.700 -1.354 0.000 0.951 150 N N 1.882 120.470 118.700 -0.187 0.000 2.483 150 N HA 0.091 4.828 4.740 -0.004 0.000 0.269 150 N C 0.248 175.830 175.510 0.119 0.000 1.209 150 N CA 0.050 53.061 53.050 -0.064 0.000 0.969 150 N CB -0.226 38.229 38.487 -0.052 0.000 1.173 150 N HN 0.404 nan 8.380 nan 0.000 0.475 151 N N -0.904 117.856 118.700 0.099 0.000 2.776 151 N HA -0.148 4.590 4.740 -0.004 0.000 0.249 151 N C -0.873 174.814 175.510 0.296 0.000 1.111 151 N CA 0.658 53.808 53.050 0.167 0.000 0.711 151 N CB -1.719 36.877 38.487 0.181 0.000 1.065 151 N HN 0.465 nan 8.380 nan 0.000 0.556 152 T N 0.838 115.558 114.554 0.276 0.000 2.851 152 T HA 0.132 4.480 4.350 -0.004 0.000 0.298 152 T C 1.710 176.569 174.700 0.264 0.000 0.977 152 T CA 0.027 62.307 62.100 0.301 0.000 1.126 152 T CB 1.242 70.176 68.868 0.110 0.000 0.916 152 T HN 0.152 nan 8.240 nan 0.000 0.529 153 Q N 2.005 121.957 119.800 0.253 0.000 2.212 153 Q HA 0.120 4.458 4.340 -0.004 0.000 0.199 153 Q C 0.180 176.372 176.000 0.320 0.000 0.950 153 Q CA 0.602 56.574 55.803 0.281 0.000 0.863 153 Q CB 0.615 29.487 28.738 0.222 0.000 0.944 153 Q HN 0.691 nan 8.270 nan 0.000 0.465 154 W N -0.400 120.885 121.300 -0.026 0.000 3.645 154 W HA 0.440 5.098 4.660 -0.003 0.000 0.285 154 W C -2.340 174.099 176.519 -0.132 0.000 1.266 154 W CA -0.585 56.698 57.345 -0.103 0.000 1.212 154 W CB 1.122 30.471 29.460 -0.186 0.000 1.306 154 W HN -0.369 nan 8.180 nan 0.000 0.552 155 V N 3.257 122.452 119.914 -1.199 0.000 2.888 155 V HA 0.689 4.807 4.120 -0.004 0.000 0.309 155 V C -0.513 175.000 176.094 -0.969 0.000 1.114 155 V CA -0.607 61.159 62.300 -0.890 0.000 0.940 155 V CB 1.875 33.075 31.823 -1.039 0.000 1.021 155 V HN 0.496 nan 8.190 nan 0.000 0.426 156 T N 2.701 117.011 114.554 -0.407 0.000 3.041 156 T HA 0.507 4.855 4.350 -0.004 0.000 0.321 156 T C -1.463 173.300 174.700 0.105 0.000 1.184 156 T CA -0.300 61.748 62.100 -0.086 0.000 1.050 156 T CB 0.795 69.856 68.868 0.321 0.000 1.159 156 T HN 0.515 nan 8.240 nan 0.000 0.469 157 W N 3.214 124.584 121.300 0.117 0.000 2.126 157 W HA 0.443 5.101 4.660 -0.004 0.000 0.346 157 W C 1.246 177.668 176.519 -0.163 0.000 1.279 157 W CA -0.564 56.800 57.345 0.031 0.000 1.259 157 W CB 0.658 30.128 29.460 0.017 0.000 1.133 157 W HN 0.791 nan 8.180 nan 0.000 0.592 158 S N 2.062 117.569 115.700 -0.321 0.000 2.600 158 S HA 0.118 4.586 4.470 -0.004 0.000 0.265 158 S C -1.443 172.900 174.600 -0.429 0.000 1.325 158 S CA -1.018 56.433 58.200 -1.249 0.000 1.002 158 S CB 0.832 63.173 63.200 -1.431 0.000 0.921 158 S HN 0.406 nan 8.310 nan 0.000 0.554 159 P HA 0.033 nan 4.420 nan 0.000 0.222 159 P C -0.003 177.241 177.300 -0.093 0.000 1.147 159 P CA 0.728 63.778 63.100 -0.083 0.000 0.790 159 P CB 0.004 31.696 31.700 -0.014 0.000 0.780 160 V N -1.532 118.278 119.914 -0.173 0.000 2.962 160 V HA 0.635 4.753 4.120 -0.004 0.000 0.313 160 V C 0.856 176.838 176.094 -0.186 0.000 1.099 160 V CA 0.063 62.280 62.300 -0.137 0.000 0.971 160 V CB 1.029 32.784 31.823 -0.115 0.000 1.028 160 V HN 0.441 nan 8.190 nan 0.000 0.430 161 G N 2.332 111.042 108.800 -0.150 0.000 2.527 161 G HA2 -0.220 3.737 3.960 -0.004 0.000 0.268 161 G HA3 -0.220 3.737 3.960 -0.004 0.000 0.268 161 G C 0.161 174.971 174.900 -0.149 0.000 1.175 161 G CA 0.642 45.617 45.100 -0.209 0.000 0.962 161 G HN 1.855 nan 8.290 nan 0.000 0.560 162 H N -0.483 118.591 119.070 0.006 0.000 3.038 162 H HA 0.416 4.970 4.556 -0.003 0.000 0.238 162 H C 0.317 175.817 175.328 0.286 0.000 1.246 162 H CA -0.128 55.987 56.048 0.113 0.000 0.966 162 H CB -0.164 29.680 29.762 0.138 0.000 2.394 162 H HN 0.518 nan 8.280 nan 0.000 0.633 163 K N 1.545 122.015 120.400 0.117 0.000 2.180 163 K HA 0.516 4.834 4.320 -0.004 0.000 0.251 163 K C -0.400 176.344 176.600 0.240 0.000 1.014 163 K CA -0.372 55.987 56.287 0.120 0.000 0.913 163 K CB 1.563 33.986 32.500 -0.128 0.000 1.008 163 K HN 0.123 nan 8.250 nan 0.000 0.490 164 L N 0.676 122.059 121.223 0.266 0.000 2.422 164 L HA 0.565 4.903 4.340 -0.004 0.000 0.264 164 L C -1.140 175.951 176.870 0.369 0.000 0.984 164 L CA -0.885 54.066 54.840 0.185 0.000 0.819 164 L CB 2.218 44.212 42.059 -0.108 0.000 1.330 164 L HN 0.719 nan 8.230 nan 0.000 0.410 165 A N 2.380 125.408 122.820 0.346 0.000 2.371 165 A HA 0.849 5.166 4.320 -0.004 0.000 0.311 165 A C -1.620 176.018 177.584 0.089 0.000 1.068 165 A CA -0.376 51.746 52.037 0.141 0.000 0.744 165 A CB 1.286 20.246 19.000 -0.067 0.000 1.239 165 A HN 0.650 nan 8.150 nan 0.000 0.435 166 Y N -0.691 119.582 120.300 -0.044 0.000 2.615 166 Y HA 0.785 5.333 4.550 -0.003 0.000 0.341 166 Y C -1.167 174.760 175.900 0.045 0.000 1.089 166 Y CA -1.608 56.449 58.100 -0.071 0.000 1.049 166 Y CB 1.196 39.545 38.460 -0.186 0.000 1.296 166 Y HN 0.391 nan 8.280 nan 0.000 0.470 167 V N 1.910 121.974 119.914 0.250 0.000 2.448 167 V HA 0.369 4.487 4.120 -0.004 0.000 0.295 167 V C -1.499 174.818 176.094 0.372 0.000 1.025 167 V CA -0.614 61.802 62.300 0.195 0.000 0.859 167 V CB 1.310 33.167 31.823 0.056 0.000 0.988 167 V HN 0.871 nan 8.190 nan 0.000 0.431 168 W N 5.078 126.490 121.300 0.187 0.000 3.042 168 W HA 0.467 5.125 4.660 -0.003 0.000 0.337 168 W C 0.270 176.855 176.519 0.110 0.000 1.086 168 W CA -0.741 56.686 57.345 0.136 0.000 1.236 168 W CB 1.242 30.758 29.460 0.094 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.075 123.389 118.700 -0.643 0.000 2.721 169 N HA -0.333 4.405 4.740 -0.004 0.000 0.249 169 N C -0.039 175.288 175.510 -0.305 0.000 1.072 169 N CA 0.988 53.651 53.050 -0.644 0.000 0.710 169 N CB -0.907 36.925 38.487 -1.092 0.000 0.993 169 N HN 0.721 nan 8.380 nan 0.000 0.547 170 N N -1.347 117.249 118.700 -0.173 0.000 2.800 170 N HA -0.150 4.588 4.740 -0.004 0.000 0.250 170 N C -1.491 173.935 175.510 -0.140 0.000 1.078 170 N CA 1.629 54.600 53.050 -0.131 0.000 0.804 170 N CB -0.501 37.867 38.487 -0.199 0.000 1.135 170 N HN 0.525 nan 8.380 nan 0.000 0.565 171 D N -0.268 120.053 120.400 -0.132 0.000 2.433 171 D HA 0.505 5.143 4.640 -0.004 0.000 0.236 171 D C 0.405 176.502 176.300 -0.338 0.000 1.026 171 D CA -0.440 53.388 54.000 -0.286 0.000 0.884 171 D CB 1.388 41.959 40.800 -0.382 0.000 1.384 171 D HN -0.010 nan 8.370 nan 0.000 0.477 172 I N 1.524 121.736 120.570 -0.596 0.000 2.440 172 I HA 0.266 4.434 4.170 -0.004 0.000 0.294 172 I C -0.681 174.926 176.117 -0.849 0.000 0.995 172 I CA -0.433 60.510 61.300 -0.595 0.000 1.306 172 I CB 0.636 38.215 38.000 -0.702 0.000 1.407 172 I HN 0.174 nan 8.210 nan 0.000 0.501 173 Y N 3.679 123.592 120.300 -0.645 0.000 2.512 173 Y HA 0.637 5.185 4.550 -0.003 0.000 0.348 173 Y C -0.459 175.089 175.900 -0.585 0.000 0.990 173 Y CA -0.909 56.756 58.100 -0.724 0.000 1.033 173 Y CB 2.090 39.817 38.460 -1.221 0.000 1.259 173 Y HN 0.096 nan 8.280 nan 0.000 0.461 174 V N 2.693 122.542 119.914 -0.109 0.000 2.709 174 V HA 0.483 4.601 4.120 -0.004 0.000 0.308 174 V C -0.930 175.309 176.094 0.241 0.000 1.062 174 V CA -1.396 60.950 62.300 0.076 0.000 0.901 174 V CB 2.077 33.962 31.823 0.103 0.000 1.003 174 V HN 0.621 nan 8.190 nan 0.000 0.425 175 K N 4.117 124.672 120.400 0.258 0.000 2.323 175 K HA 0.529 4.847 4.320 -0.004 0.000 0.259 175 K C 0.295 177.050 176.600 0.259 0.000 0.947 175 K CA -0.757 55.676 56.287 0.243 0.000 0.819 175 K CB 1.973 34.570 32.500 0.161 0.000 1.109 175 K HN 0.413 nan 8.250 nan 0.000 0.429 176 I N 1.170 121.912 120.570 0.288 0.000 2.406 176 I HA -0.038 4.130 4.170 -0.004 0.000 0.249 176 I C 0.315 176.567 176.117 0.226 0.000 1.122 176 I CA 1.356 62.795 61.300 0.232 0.000 1.431 176 I CB -0.271 37.867 38.000 0.229 0.000 1.087 176 I HN 0.570 nan 8.210 nan 0.000 0.424 177 E N -0.007 120.304 120.200 0.185 0.000 2.272 177 E HA 0.282 4.630 4.350 -0.004 0.000 0.269 177 E C -1.929 174.663 176.600 -0.013 0.000 0.877 177 E CA -1.967 54.504 56.400 0.119 0.000 0.755 177 E CB 1.871 31.634 29.700 0.105 0.000 1.192 177 E HN -0.159 nan 8.360 nan 0.000 0.422 178 P HA -0.189 nan 4.420 nan 0.000 0.217 178 P C 0.807 178.031 177.300 -0.127 0.000 1.148 178 P CA 1.403 64.356 63.100 -0.246 0.000 0.834 178 P CB 0.284 31.604 31.700 -0.633 0.000 0.783 179 N N -1.414 117.235 118.700 -0.086 0.000 2.230 179 N HA 0.027 4.765 4.740 -0.004 0.000 0.202 179 N C 0.106 175.602 175.510 -0.022 0.000 1.119 179 N CA 0.150 53.181 53.050 -0.033 0.000 0.851 179 N CB -0.064 38.423 38.487 0.001 0.000 0.990 179 N HN 0.176 nan 8.380 nan 0.000 0.497 180 L N 0.969 122.181 121.223 -0.018 0.000 2.358 180 L HA 0.546 4.884 4.340 -0.004 0.000 0.268 180 L C -2.152 174.685 176.870 -0.055 0.000 1.032 180 L CA -2.269 52.561 54.840 -0.018 0.000 0.805 180 L CB 1.386 43.458 42.059 0.021 0.000 1.253 180 L HN -0.128 nan 8.230 nan 0.000 0.452 181 P HA 0.084 nan 4.420 nan 0.000 0.272 181 P C -0.803 176.353 177.300 -0.239 0.000 1.223 181 P CA -0.263 62.744 63.100 -0.154 0.000 0.784 181 P CB 0.875 32.477 31.700 -0.164 0.000 0.923 182 S N 1.252 116.862 115.700 -0.151 0.000 2.603 182 S HA 0.297 4.765 4.470 -0.004 0.000 0.268 182 S C -0.369 174.102 174.600 -0.216 0.000 1.317 182 S CA -0.010 58.145 58.200 -0.077 0.000 1.012 182 S CB -0.115 63.138 63.200 0.087 0.000 0.926 182 S HN 0.298 nan 8.310 nan 0.000 0.539 183 Y N 0.626 120.959 120.300 0.055 0.000 2.335 183 Y HA 0.388 4.936 4.550 -0.004 0.000 0.338 183 Y C 0.831 176.664 175.900 -0.112 0.000 0.977 183 Y CA -0.734 57.376 58.100 0.017 0.000 1.114 183 Y CB 0.805 39.273 38.460 0.014 0.000 1.182 183 Y HN 0.380 nan 8.280 nan 0.000 0.463 184 R N 3.381 123.833 120.500 -0.080 0.000 2.389 184 R HA 0.191 4.529 4.340 -0.004 0.000 0.295 184 R C 0.139 176.060 176.300 -0.632 0.000 1.075 184 R CA 0.201 55.897 56.100 -0.673 0.000 1.005 184 R CB 0.692 30.444 30.300 -0.914 0.000 0.987 184 R HN 0.765 nan 8.270 nan 0.000 0.452 185 I N 1.074 121.180 120.570 -0.773 0.000 3.616 185 I HA -0.009 4.159 4.170 -0.004 0.000 0.296 185 I C 1.085 176.934 176.117 -0.446 0.000 1.226 185 I CA 0.886 61.910 61.300 -0.459 0.000 1.394 185 I CB -0.256 37.460 38.000 -0.473 0.000 1.171 185 I HN 0.526 nan 8.210 nan 0.000 0.442 186 T N -3.958 110.150 114.554 -0.743 0.000 2.906 186 T HA 0.405 4.753 4.350 -0.004 0.000 0.295 186 T C -0.229 174.135 174.700 -0.560 0.000 1.061 186 T CA -0.508 61.331 62.100 -0.435 0.000 1.000 186 T CB 2.233 70.847 68.868 -0.425 0.000 1.103 186 T HN 0.204 nan 8.240 nan 0.000 0.486 187 W N 0.661 121.849 121.300 -0.186 0.000 2.534 187 W HA 0.114 4.772 4.660 -0.003 0.000 0.339 187 W C 1.551 178.012 176.519 -0.097 0.000 0.961 187 W CA 0.105 57.376 57.345 -0.124 0.000 1.545 187 W CB 0.591 29.999 29.460 -0.085 0.000 1.104 187 W HN 0.964 nan 8.180 nan 0.000 0.538 188 T N -2.256 112.333 114.554 0.059 0.000 3.067 188 T HA 0.142 4.490 4.350 -0.004 0.000 0.257 188 T C 1.345 176.029 174.700 -0.027 0.000 1.105 188 T CA 0.394 62.510 62.100 0.026 0.000 1.104 188 T CB -0.055 68.829 68.868 0.026 0.000 0.925 188 T HN -0.037 nan 8.240 nan 0.000 0.498 189 G N 1.354 110.105 108.800 -0.083 0.000 2.187 189 G HA2 0.272 4.230 3.960 -0.004 0.000 0.239 189 G HA3 0.272 4.230 3.960 -0.004 0.000 0.239 189 G C -0.549 174.276 174.900 -0.126 0.000 1.200 189 G CA -0.255 44.772 45.100 -0.123 0.000 0.888 189 G HN 0.600 nan 8.290 nan 0.000 0.482 190 K N 1.885 122.185 120.400 -0.165 0.000 2.616 190 K HA 0.154 4.471 4.320 -0.004 0.000 0.255 190 K C -0.154 176.305 176.600 -0.235 0.000 0.995 190 K CA -0.661 55.532 56.287 -0.157 0.000 0.860 190 K CB 1.444 33.889 32.500 -0.093 0.000 1.264 190 K HN 0.670 nan 8.250 nan 0.000 0.451 191 E N 3.596 123.670 120.200 -0.211 0.000 2.765 191 E HA -0.178 4.170 4.350 -0.004 0.000 0.256 191 E C -0.558 175.929 176.600 -0.189 0.000 0.935 191 E CA 1.085 57.357 56.400 -0.212 0.000 0.954 191 E CB 0.219 29.836 29.700 -0.139 0.000 0.908 191 E HN 0.653 nan 8.360 nan 0.000 0.500 192 D N 2.547 122.804 120.400 -0.238 0.000 2.978 192 D HA -0.235 4.403 4.640 -0.004 0.000 0.205 192 D C 0.575 176.863 176.300 -0.020 0.000 1.093 192 D CA 1.382 55.360 54.000 -0.038 0.000 1.006 192 D CB -0.485 40.343 40.800 0.047 0.000 1.116 192 D HN 0.442 nan 8.370 nan 0.000 0.419 193 I N -0.893 119.569 120.570 -0.179 0.000 3.650 193 I HA 0.117 4.285 4.170 -0.004 0.000 0.261 193 I C 0.769 176.894 176.117 0.014 0.000 1.154 193 I CA 0.498 61.786 61.300 -0.019 0.000 1.418 193 I CB 0.248 38.237 38.000 -0.019 0.000 1.539 193 I HN -0.123 nan 8.210 nan 0.000 0.449 194 I N 1.345 121.836 120.570 -0.132 0.000 2.436 194 I HA 0.293 4.461 4.170 -0.004 0.000 0.289 194 I C -1.299 174.755 176.117 -0.105 0.000 1.010 194 I CA -0.627 60.681 61.300 0.013 0.000 1.098 194 I CB 1.259 39.270 38.000 0.018 0.000 1.266 194 I HN 0.013 nan 8.210 nan 0.000 0.434 195 Y N 4.438 124.813 120.300 0.124 0.000 2.326 195 Y HA 0.427 4.974 4.550 -0.004 0.000 0.331 195 Y C 0.266 176.217 175.900 0.084 0.000 0.962 195 Y CA -0.836 57.334 58.100 0.118 0.000 1.167 195 Y CB 1.268 39.860 38.460 0.221 0.000 1.148 195 Y HN 0.403 nan 8.280 nan 0.000 0.463 196 N N 1.971 120.731 118.700 0.101 0.000 2.417 196 N HA 0.377 5.115 4.740 -0.004 0.000 0.274 196 N C 0.826 176.278 175.510 -0.097 0.000 0.987 196 N CA 0.421 53.460 53.050 -0.018 0.000 0.912 196 N CB 1.940 40.311 38.487 -0.193 0.000 1.177 196 N HN 0.980 nan 8.380 nan 0.000 0.490 197 G N 1.501 110.266 108.800 -0.058 0.000 2.205 197 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.261 197 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.261 197 G C 0.135 174.916 174.900 -0.198 0.000 0.980 197 G CA 0.794 45.796 45.100 -0.163 0.000 0.632 197 G HN 0.664 nan 8.290 nan 0.000 0.533 198 I N -1.698 118.815 120.570 -0.095 0.000 2.934 198 I HA 0.806 4.974 4.170 -0.004 0.000 0.306 198 I C 0.331 176.464 176.117 0.028 0.000 1.110 198 I CA -0.652 60.493 61.300 -0.258 0.000 1.019 198 I CB 1.982 39.623 38.000 -0.599 0.000 1.227 198 I HN 0.169 nan 8.210 nan 0.000 0.434 199 T N -0.403 114.072 114.554 -0.132 0.000 2.899 199 T HA 0.372 4.720 4.350 -0.004 0.000 0.284 199 T C -0.185 174.219 174.700 -0.494 0.000 1.004 199 T CA -0.636 61.206 62.100 -0.431 0.000 1.043 199 T CB 1.258 69.896 68.868 -0.384 0.000 1.013 199 T HN 0.767 nan 8.240 nan 0.000 0.518 200 D N 0.016 119.884 120.400 -0.887 0.000 2.478 200 D HA 0.052 4.690 4.640 -0.004 0.000 0.274 200 D C 0.958 177.130 176.300 -0.215 0.000 1.234 200 D CA -1.125 52.388 54.000 -0.813 0.000 1.069 200 D CB 0.094 40.397 40.800 -0.827 0.000 1.113 200 D HN 0.707 nan 8.370 nan 0.000 0.571 201 W N 0.021 121.225 121.300 -0.160 0.000 2.333 201 W HA -0.211 4.447 4.660 -0.004 0.000 0.316 201 W C 2.179 178.554 176.519 -0.241 0.000 1.215 201 W CA 2.187 59.442 57.345 -0.149 0.000 1.278 201 W CB -0.438 28.875 29.460 -0.244 0.000 1.154 201 W HN 0.169 nan 8.180 nan 0.000 0.486 202 V N 0.017 119.999 119.914 0.113 0.000 2.427 202 V HA -0.315 3.803 4.120 -0.004 0.000 0.248 202 V C 1.927 177.795 176.094 -0.377 0.000 1.051 202 V CA 2.097 64.335 62.300 -0.104 0.000 1.048 202 V CB -0.791 30.958 31.823 -0.123 0.000 0.666 202 V HN 0.312 nan 8.190 nan 0.000 0.456 203 Y N 0.566 120.576 120.300 -0.484 0.000 2.242 203 Y HA -0.198 4.350 4.550 -0.004 0.000 0.291 203 Y C 2.585 178.171 175.900 -0.523 0.000 1.137 203 Y CA 2.158 59.868 58.100 -0.650 0.000 1.181 203 Y CB -0.089 37.697 38.460 -1.123 0.000 0.989 203 Y HN 0.392 nan 8.280 nan 0.000 0.527 204 E N 0.302 120.331 120.200 -0.286 0.000 2.031 204 E HA -0.293 4.055 4.350 -0.004 0.000 0.193 204 E C 2.056 178.561 176.600 -0.157 0.000 0.994 204 E CA 1.558 57.865 56.400 -0.155 0.000 0.800 204 E CB -0.026 29.617 29.700 -0.094 0.000 0.752 204 E HN 0.408 nan 8.360 nan 0.000 0.447 205 E N 0.243 120.176 120.200 -0.445 0.000 2.046 205 E HA -0.162 4.185 4.350 -0.004 0.000 0.190 205 E C 1.699 178.187 176.600 -0.188 0.000 0.982 205 E CA 1.606 57.756 56.400 -0.417 0.000 0.800 205 E CB 0.138 29.244 29.700 -0.991 0.000 0.756 205 E HN 0.245 nan 8.360 nan 0.000 0.449 206 E N -0.749 119.322 120.200 -0.215 0.000 2.389 206 E HA 0.080 4.427 4.350 -0.004 0.000 0.199 206 E C 1.880 178.425 176.600 -0.091 0.000 0.978 206 E CA 0.464 56.809 56.400 -0.093 0.000 0.912 206 E CB 0.812 30.452 29.700 -0.100 0.000 0.907 206 E HN 0.210 nan 8.360 nan 0.000 0.494 207 V N 0.115 119.938 119.914 -0.151 0.000 2.599 207 V HA 0.011 4.129 4.120 -0.004 0.000 0.237 207 V C 1.701 177.994 176.094 0.331 0.000 1.081 207 V CA 0.778 63.070 62.300 -0.012 0.000 1.107 207 V CB -0.276 31.411 31.823 -0.227 0.000 0.808 207 V HN 0.036 nan 8.190 nan 0.000 0.486 208 F N 0.472 120.434 119.950 0.020 0.000 2.619 208 F HA 0.303 4.827 4.527 -0.004 0.000 0.293 208 F C 1.731 177.484 175.800 -0.078 0.000 1.119 208 F CA 0.104 58.121 58.000 0.029 0.000 1.445 208 F CB -0.917 38.128 39.000 0.075 0.000 1.119 208 F HN 0.155 nan 8.300 nan 0.000 0.573 209 S N 0.103 115.833 115.700 0.049 0.000 3.641 209 S HA 0.040 4.507 4.470 -0.004 0.000 0.346 209 S C 0.061 174.215 174.600 -0.743 0.000 1.074 209 S CA 0.482 58.551 58.200 -0.218 0.000 1.026 209 S CB -1.570 61.578 63.200 -0.086 0.000 0.908 209 S HN 0.697 nan 8.310 nan 0.000 0.479 210 A N -0.643 121.965 122.820 -0.354 0.000 2.599 210 A HA 0.669 4.987 4.320 -0.004 0.000 0.294 210 A C -0.380 177.206 177.584 0.003 0.000 1.055 210 A CA -0.406 51.481 52.037 -0.251 0.000 0.683 210 A CB 0.281 19.184 19.000 -0.161 0.000 1.278 210 A HN 0.372 nan 8.150 nan 0.000 0.412 211 Y N 1.823 121.994 120.300 -0.215 0.000 2.397 211 Y HA 0.142 4.689 4.550 -0.004 0.000 0.292 211 Y C 1.596 177.261 175.900 -0.391 0.000 1.115 211 Y CA 0.957 58.927 58.100 -0.217 0.000 1.208 211 Y CB -0.010 38.360 38.460 -0.149 0.000 1.046 211 Y HN 0.794 nan 8.280 nan 0.000 0.552 212 S N 0.632 115.853 115.700 -0.798 0.000 2.564 212 S HA 0.525 4.993 4.470 -0.004 0.000 0.278 212 S C 0.218 174.483 174.600 -0.558 0.000 1.333 212 S CA -0.158 57.391 58.200 -1.084 0.000 1.048 212 S CB 1.407 63.465 63.200 -1.902 0.000 0.900 212 S HN 0.442 nan 8.310 nan 0.000 0.505 213 A N 2.730 125.235 122.820 -0.526 0.000 3.129 213 A HA 0.563 4.881 4.320 -0.004 0.000 0.282 213 A C -0.535 176.468 177.584 -0.969 0.000 0.948 213 A CA -0.754 51.014 52.037 -0.448 0.000 1.027 213 A CB -0.687 18.441 19.000 0.213 0.000 1.123 213 A HN 1.057 nan 8.150 nan 0.000 0.485 214 L N -4.670 115.752 121.223 -1.336 0.000 2.434 214 L HA 0.893 5.231 4.340 -0.004 0.000 0.260 214 L C -1.320 174.984 176.870 -0.942 0.000 0.983 214 L CA -1.210 53.095 54.840 -0.891 0.000 0.820 214 L CB 1.114 42.929 42.059 -0.407 0.000 1.361 214 L HN 0.238 nan 8.230 nan 0.000 0.410 215 W N 1.376 122.744 121.300 0.113 0.000 2.728 215 W HA 0.313 4.971 4.660 -0.003 0.000 0.324 215 W C -1.508 175.253 176.519 0.403 0.000 1.012 215 W CA -0.793 56.725 57.345 0.288 0.000 1.279 215 W CB 1.413 31.082 29.460 0.347 0.000 1.289 215 W HN 0.616 nan 8.180 nan 0.000 0.418 216 W N 2.588 124.105 121.300 0.361 0.000 2.190 216 W HA 0.214 4.871 4.660 -0.004 0.000 0.330 216 W C 1.348 177.726 176.519 -0.236 0.000 1.299 216 W CA 0.386 57.808 57.345 0.128 0.000 1.215 216 W CB 0.861 30.368 29.460 0.079 0.000 1.147 216 W HN 0.187 nan 8.180 nan 0.000 0.563 217 S N 2.614 118.073 115.700 -0.402 0.000 2.600 217 S HA 0.201 4.669 4.470 -0.004 0.000 0.265 217 S C -1.752 172.572 174.600 -0.461 0.000 1.325 217 S CA -1.049 56.304 58.200 -1.411 0.000 1.002 217 S CB 1.066 63.460 63.200 -1.345 0.000 0.921 217 S HN 0.296 nan 8.310 nan 0.000 0.554 218 P HA -0.187 nan 4.420 nan 0.000 0.218 218 P C 0.802 178.056 177.300 -0.077 0.000 1.154 218 P CA 1.808 64.856 63.100 -0.087 0.000 0.872 218 P CB -0.221 31.474 31.700 -0.007 0.000 0.790 219 N N -2.356 116.283 118.700 -0.100 0.000 2.230 219 N HA 0.157 4.895 4.740 -0.004 0.000 0.202 219 N C 1.052 176.475 175.510 -0.146 0.000 1.119 219 N CA 0.422 53.412 53.050 -0.100 0.000 0.851 219 N CB -0.613 37.830 38.487 -0.073 0.000 0.990 219 N HN 0.191 nan 8.380 nan 0.000 0.497 220 G N -0.976 107.740 108.800 -0.140 0.000 2.179 220 G HA2 -0.341 3.617 3.960 -0.004 0.000 0.260 220 G HA3 -0.341 3.617 3.960 -0.004 0.000 0.260 220 G C 0.960 175.869 174.900 0.015 0.000 0.977 220 G CA 0.741 45.762 45.100 -0.132 0.000 0.641 220 G HN 0.368 nan 8.290 nan 0.000 0.533 221 T N 0.061 114.552 114.554 -0.106 0.000 2.701 221 T HA 0.184 4.532 4.350 -0.004 0.000 0.263 221 T C 0.907 175.455 174.700 -0.253 0.000 1.040 221 T CA 1.365 63.305 62.100 -0.266 0.000 1.147 221 T CB -0.106 68.441 68.868 -0.534 0.000 0.865 221 T HN 0.297 nan 8.240 nan 0.000 0.426 222 F N 0.351 120.331 119.950 0.050 0.000 2.432 222 F HA 0.618 5.143 4.527 -0.004 0.000 0.329 222 F C -0.170 175.716 175.800 0.143 0.000 1.076 222 F CA -1.581 56.491 58.000 0.120 0.000 1.018 222 F CB 0.997 40.129 39.000 0.220 0.000 1.201 222 F HN -0.088 nan 8.300 nan 0.000 0.489 223 L N 2.644 124.037 121.223 0.283 0.000 2.372 223 L HA 0.802 5.140 4.340 -0.004 0.000 0.274 223 L C -0.689 176.292 176.870 0.185 0.000 0.988 223 L CA -0.581 54.256 54.840 -0.005 0.000 0.833 223 L CB 0.767 42.547 42.059 -0.465 0.000 1.236 223 L HN 0.662 nan 8.230 nan 0.000 0.410 224 A N 4.701 127.703 122.820 0.304 0.000 2.303 224 A HA 0.823 5.141 4.320 -0.004 0.000 0.317 224 A C -1.422 176.276 177.584 0.190 0.000 1.149 224 A CA -0.234 51.865 52.037 0.103 0.000 0.822 224 A CB 0.664 19.795 19.000 0.219 0.000 1.131 224 A HN 0.934 nan 8.150 nan 0.000 0.493 225 Y N -2.024 118.128 120.300 -0.245 0.000 2.624 225 Y HA 0.731 5.278 4.550 -0.003 0.000 0.334 225 Y C -0.391 175.479 175.900 -0.051 0.000 1.155 225 Y CA -0.889 57.178 58.100 -0.056 0.000 1.046 225 Y CB 0.771 39.128 38.460 -0.172 0.000 1.316 225 Y HN 0.949 nan 8.280 nan 0.000 0.457 226 A N 2.121 125.121 122.820 0.301 0.000 2.320 226 A HA 0.701 5.019 4.320 -0.004 0.000 0.334 226 A C -1.145 176.369 177.584 -0.118 0.000 1.147 226 A CA -0.833 51.228 52.037 0.040 0.000 0.820 226 A CB 1.724 20.713 19.000 -0.017 0.000 1.218 226 A HN 0.813 nan 8.150 nan 0.000 0.482 227 Q N 1.041 120.686 119.800 -0.259 0.000 2.321 227 Q HA 0.602 4.939 4.340 -0.004 0.000 0.270 227 Q C -2.092 173.693 176.000 -0.358 0.000 1.032 227 Q CA -0.357 55.378 55.803 -0.113 0.000 0.784 227 Q CB 1.059 29.947 28.738 0.249 0.000 1.264 227 Q HN 0.593 nan 8.270 nan 0.000 0.448 228 F N 2.293 122.327 119.950 0.140 0.000 2.469 228 F HA 0.419 4.943 4.527 -0.004 0.000 0.332 228 F C 0.390 176.322 175.800 0.220 0.000 1.103 228 F CA -0.935 57.122 58.000 0.095 0.000 0.979 228 F CB 1.432 40.388 39.000 -0.073 0.000 1.137 228 F HN 0.436 nan 8.300 nan 0.000 0.463 229 N N 1.995 120.907 118.700 0.353 0.000 2.518 229 N HA 0.214 4.952 4.740 -0.004 0.000 0.254 229 N C -0.941 174.729 175.510 0.266 0.000 0.979 229 N CA -0.338 52.878 53.050 0.277 0.000 0.930 229 N CB 0.942 39.541 38.487 0.186 0.000 1.152 229 N HN 0.549 nan 8.380 nan 0.000 0.505 230 D N 1.518 122.098 120.400 0.299 0.000 2.427 230 D HA 0.128 4.766 4.640 -0.004 0.000 0.224 230 D C 1.204 177.607 176.300 0.172 0.000 1.157 230 D CA 0.096 54.246 54.000 0.250 0.000 0.828 230 D CB 0.532 41.536 40.800 0.341 0.000 0.974 230 D HN 0.448 nan 8.370 nan 0.000 0.498 231 T N 0.423 115.060 114.554 0.139 0.000 2.653 231 T HA -0.208 4.140 4.350 -0.004 0.000 0.268 231 T C 1.306 176.053 174.700 0.078 0.000 1.035 231 T CA 1.324 63.480 62.100 0.094 0.000 1.154 231 T CB -0.050 68.864 68.868 0.076 0.000 0.862 231 T HN 0.330 nan 8.240 nan 0.000 0.441 232 E N 0.415 120.661 120.200 0.078 0.000 2.465 232 E HA 0.183 4.531 4.350 -0.004 0.000 0.195 232 E C -0.455 176.184 176.600 0.065 0.000 1.028 232 E CA -0.250 56.186 56.400 0.061 0.000 0.899 232 E CB 0.541 30.271 29.700 0.050 0.000 1.032 232 E HN 0.209 nan 8.360 nan 0.000 0.468 233 V N 3.533 123.498 119.914 0.085 0.000 2.508 233 V HA 0.099 4.217 4.120 -0.004 0.000 0.281 233 V C -1.984 174.154 176.094 0.073 0.000 1.041 233 V CA -1.519 60.833 62.300 0.086 0.000 1.016 233 V CB 0.386 32.275 31.823 0.111 0.000 0.984 233 V HN 0.044 nan 8.190 nan 0.000 0.478 234 P HA 0.263 nan 4.420 nan 0.000 0.272 234 P C -0.740 176.584 177.300 0.041 0.000 1.230 234 P CA -0.258 62.867 63.100 0.043 0.000 0.788 234 P CB 0.524 32.248 31.700 0.039 0.000 0.949 235 L N 2.084 123.310 121.223 0.006 0.000 2.309 235 L HA 0.457 4.795 4.340 -0.004 0.000 0.282 235 L C 0.281 177.091 176.870 -0.099 0.000 1.036 235 L CA -0.928 53.897 54.840 -0.024 0.000 0.806 235 L CB 1.105 43.147 42.059 -0.029 0.000 1.220 235 L HN 0.295 nan 8.230 nan 0.000 0.429 236 I N 2.462 122.926 120.570 -0.176 0.000 2.396 236 I HA 0.286 4.454 4.170 -0.004 0.000 0.292 236 I C -0.442 175.521 176.117 -0.258 0.000 0.999 236 I CA 0.190 61.285 61.300 -0.341 0.000 1.310 236 I CB 0.912 38.447 38.000 -0.776 0.000 1.404 236 I HN 0.572 nan 8.210 nan 0.000 0.496 237 E N 7.365 127.434 120.200 -0.219 0.000 2.248 237 E HA 0.511 4.859 4.350 -0.004 0.000 0.267 237 E C -1.806 174.723 176.600 -0.118 0.000 0.877 237 E CA -0.602 55.667 56.400 -0.218 0.000 0.759 237 E CB 2.120 31.724 29.700 -0.161 0.000 1.182 237 E HN 0.585 nan 8.360 nan 0.000 0.418 238 Y N -1.813 118.398 120.300 -0.147 0.000 2.609 238 Y HA 0.550 5.098 4.550 -0.004 0.000 0.336 238 Y C -0.728 175.100 175.900 -0.121 0.000 1.129 238 Y CA -1.248 56.771 58.100 -0.134 0.000 1.040 238 Y CB 0.853 39.241 38.460 -0.120 0.000 1.310 238 Y HN 0.222 nan 8.280 nan 0.000 0.460 239 S N 1.724 117.419 115.700 -0.009 0.000 2.584 239 S HA 0.525 4.992 4.470 -0.004 0.000 0.273 239 S C -1.454 172.992 174.600 -0.256 0.000 1.311 239 S CA -0.395 57.657 58.200 -0.247 0.000 1.034 239 S CB 0.687 63.597 63.200 -0.482 0.000 0.939 239 S HN 0.541 nan 8.310 nan 0.000 0.513 240 F N 1.910 121.572 119.950 -0.481 0.000 2.539 240 F HA 0.420 4.945 4.527 -0.004 0.000 0.328 240 F C -0.302 175.249 175.800 -0.415 0.000 1.148 240 F CA -0.961 56.846 58.000 -0.321 0.000 0.940 240 F CB 0.768 39.722 39.000 -0.077 0.000 1.194 240 F HN 0.651 nan 8.300 nan 0.000 0.438 241 Y N 2.709 122.793 120.300 -0.360 0.000 2.420 241 Y HA 0.091 4.639 4.550 -0.004 0.000 0.292 241 Y C 1.790 177.593 175.900 -0.161 0.000 1.119 241 Y CA 1.119 59.093 58.100 -0.211 0.000 1.229 241 Y CB -0.562 37.769 38.460 -0.216 0.000 1.026 241 Y HN 0.732 nan 8.280 nan 0.000 0.554 242 S N -0.302 115.258 115.700 -0.233 0.000 3.387 242 S HA -0.230 4.238 4.470 -0.004 0.000 0.633 242 S C -0.518 174.114 174.600 0.052 0.000 2.641 242 S CA 0.377 58.605 58.200 0.046 0.000 2.931 242 S CB -1.234 62.113 63.200 0.245 0.000 0.327 242 S HN 0.450 nan 8.310 nan 0.000 1.716 243 D N 1.655 122.111 120.400 0.092 0.000 2.382 243 D HA 0.182 4.820 4.640 -0.004 0.000 0.240 243 D C 1.352 177.681 176.300 0.048 0.000 1.146 243 D CA 0.435 54.473 54.000 0.064 0.000 0.897 243 D CB 0.339 41.180 40.800 0.067 0.000 1.197 243 D HN 0.621 nan 8.370 nan 0.000 0.432 244 E N 0.647 120.864 120.200 0.029 0.000 2.219 244 E HA -0.235 4.113 4.350 -0.004 0.000 0.198 244 E C 1.401 178.011 176.600 0.017 0.000 0.998 244 E CA 1.292 57.700 56.400 0.014 0.000 0.818 244 E CB 0.169 29.872 29.700 0.004 0.000 0.741 244 E HN 0.439 nan 8.360 nan 0.000 0.477 245 S N 0.186 115.902 115.700 0.027 0.000 2.447 245 S HA -0.129 4.339 4.470 -0.004 0.000 0.233 245 S C 0.933 175.554 174.600 0.035 0.000 1.006 245 S CA 0.012 58.229 58.200 0.028 0.000 0.957 245 S CB -0.214 63.005 63.200 0.033 0.000 0.773 245 S HN 0.243 nan 8.310 nan 0.000 0.507 246 L N 2.528 123.780 121.223 0.050 0.000 2.433 246 L HA 0.277 4.615 4.340 -0.004 0.000 0.275 246 L C 1.385 178.281 176.870 0.043 0.000 1.128 246 L CA 0.133 55.013 54.840 0.066 0.000 0.875 246 L CB 0.577 42.691 42.059 0.091 0.000 1.171 246 L HN 0.261 nan 8.230 nan 0.000 0.463 247 Q N 3.919 123.744 119.800 0.041 0.000 2.049 247 Q HA -0.073 4.265 4.340 -0.004 0.000 0.198 247 Q C -0.490 175.406 176.000 -0.174 0.000 0.971 247 Q CA 1.292 57.058 55.803 -0.062 0.000 0.833 247 Q CB 0.116 28.830 28.738 -0.040 0.000 0.896 247 Q HN 0.685 nan 8.270 nan 0.000 0.434 248 Y N 0.728 121.042 120.300 0.023 0.000 2.341 248 Y HA 0.381 4.929 4.550 -0.004 0.000 0.337 248 Y C -2.027 173.885 175.900 0.020 0.000 1.014 248 Y CA -2.916 55.196 58.100 0.018 0.000 1.111 248 Y CB 1.294 39.757 38.460 0.004 0.000 1.194 248 Y HN 0.171 nan 8.280 nan 0.000 0.462 249 P HA 0.043 nan 4.420 nan 0.000 0.269 249 P C -0.867 176.447 177.300 0.024 0.000 1.215 249 P CA -0.550 62.575 63.100 0.041 0.000 0.780 249 P CB 0.699 32.380 31.700 -0.032 0.000 0.898 250 K N 0.878 121.273 120.400 -0.009 0.000 2.130 250 K HA 0.362 4.679 4.320 -0.004 0.000 0.268 250 K C -0.794 175.762 176.600 -0.072 0.000 0.983 250 K CA -0.368 55.916 56.287 -0.005 0.000 0.893 250 K CB 0.564 33.094 32.500 0.049 0.000 1.066 250 K HN 0.311 nan 8.250 nan 0.000 0.450 251 T N 3.181 117.677 114.554 -0.096 0.000 2.753 251 T HA 0.205 4.553 4.350 -0.004 0.000 0.297 251 T C -0.557 174.012 174.700 -0.218 0.000 0.981 251 T CA -0.608 61.397 62.100 -0.158 0.000 0.956 251 T CB 0.890 69.681 68.868 -0.129 0.000 0.936 251 T HN 0.309 nan 8.240 nan 0.000 0.463 252 V N 5.829 125.516 119.914 -0.378 0.000 2.488 252 V HA 0.348 4.466 4.120 -0.004 0.000 0.277 252 V C 0.520 176.330 176.094 -0.472 0.000 1.046 252 V CA -0.337 61.681 62.300 -0.469 0.000 0.986 252 V CB 0.432 31.800 31.823 -0.758 0.000 0.989 252 V HN 0.707 nan 8.190 nan 0.000 0.475 253 R N 3.788 124.147 120.500 -0.236 0.000 2.439 253 R HA 0.751 5.089 4.340 -0.004 0.000 0.310 253 R C -1.610 174.668 176.300 -0.037 0.000 0.955 253 R CA -0.620 55.387 56.100 -0.156 0.000 0.853 253 R CB 2.214 32.455 30.300 -0.099 0.000 1.171 253 R HN 0.498 nan 8.270 nan 0.000 0.449 254 V N 4.068 123.962 119.914 -0.034 0.000 2.577 254 V HA 0.317 4.435 4.120 -0.004 0.000 0.303 254 V C -2.398 173.734 176.094 0.064 0.000 1.042 254 V CA -2.438 59.908 62.300 0.076 0.000 0.872 254 V CB 2.291 34.136 31.823 0.036 0.000 0.998 254 V HN 0.617 nan 8.190 nan 0.000 0.423 255 P HA 0.134 nan 4.420 nan 0.000 0.264 255 P C -1.371 176.010 177.300 0.135 0.000 1.229 255 P CA 0.401 63.589 63.100 0.146 0.000 0.780 255 P CB -0.199 31.634 31.700 0.221 0.000 0.808 256 Y N 6.649 126.901 120.300 -0.079 0.000 2.315 256 Y HA 0.381 4.929 4.550 -0.004 0.000 0.324 256 Y C -2.727 173.121 175.900 -0.087 0.000 1.062 256 Y CA -2.932 55.068 58.100 -0.167 0.000 1.159 256 Y CB 1.789 40.031 38.460 -0.364 0.000 1.145 256 Y HN 0.276 nan 8.280 nan 0.000 0.442 257 P HA 0.252 nan 4.420 nan 0.000 0.286 257 P C -0.904 176.444 177.300 0.080 0.000 1.321 257 P CA -0.213 62.916 63.100 0.049 0.000 0.790 257 P CB 1.292 32.999 31.700 0.012 0.000 0.897 258 K N 2.074 122.603 120.400 0.216 0.000 2.120 258 K HA 0.477 4.795 4.320 -0.004 0.000 0.245 258 K C 0.632 177.327 176.600 0.158 0.000 1.024 258 K CA -0.665 55.768 56.287 0.243 0.000 0.906 258 K CB 0.516 33.165 32.500 0.248 0.000 1.051 258 K HN 0.455 nan 8.250 nan 0.000 0.491 259 A N 0.691 123.627 122.820 0.194 0.000 2.566 259 A HA 0.297 4.615 4.320 -0.004 0.000 0.245 259 A C 1.199 178.808 177.584 0.042 0.000 1.056 259 A CA 0.971 53.100 52.037 0.154 0.000 0.757 259 A CB -1.071 18.091 19.000 0.271 0.000 0.979 259 A HN 0.899 nan 8.150 nan 0.000 0.508 260 G N 0.915 109.733 108.800 0.030 0.000 2.225 260 G HA2 0.101 4.059 3.960 -0.004 0.000 0.254 260 G HA3 0.101 4.059 3.960 -0.004 0.000 0.254 260 G C 0.713 175.619 174.900 0.011 0.000 0.988 260 G CA 0.725 45.819 45.100 -0.010 0.000 0.625 260 G HN 2.179 nan 8.290 nan 0.000 0.527 261 A N -0.225 122.617 122.820 0.036 0.000 2.280 261 A HA 0.716 5.034 4.320 -0.004 0.000 0.268 261 A C 0.893 178.500 177.584 0.038 0.000 1.111 261 A CA 0.371 52.432 52.037 0.041 0.000 0.814 261 A CB 0.598 19.636 19.000 0.063 0.000 1.093 261 A HN 1.165 nan 8.150 nan 0.000 0.498 262 V N 2.338 122.275 119.914 0.039 0.000 2.529 262 V HA 0.025 4.143 4.120 -0.004 0.000 0.292 262 V C 0.329 176.454 176.094 0.052 0.000 1.028 262 V CA 0.004 62.327 62.300 0.038 0.000 1.074 262 V CB -0.063 31.784 31.823 0.040 0.000 0.958 262 V HN 0.807 nan 8.190 nan 0.000 0.481 263 N N 6.287 125.016 118.700 0.049 0.000 2.495 263 N HA 0.484 5.222 4.740 -0.004 0.000 0.280 263 N C -2.393 173.179 175.510 0.104 0.000 1.168 263 N CA -1.496 51.600 53.050 0.077 0.000 0.978 263 N CB 1.209 39.735 38.487 0.064 0.000 1.191 263 N HN 0.399 nan 8.380 nan 0.000 0.497 264 P HA 0.120 nan 4.420 nan 0.000 0.274 264 P C -0.502 176.934 177.300 0.226 0.000 1.231 264 P CA -0.196 63.032 63.100 0.214 0.000 0.790 264 P CB 0.468 32.328 31.700 0.267 0.000 0.951 265 T N -1.374 113.296 114.554 0.193 0.000 2.944 265 T HA 0.602 4.950 4.350 -0.004 0.000 0.284 265 T C -0.211 174.611 174.700 0.204 0.000 1.010 265 T CA -0.820 61.358 62.100 0.130 0.000 1.025 265 T CB 1.481 70.394 68.868 0.075 0.000 1.079 265 T HN 0.359 nan 8.240 nan 0.000 0.516 266 V N 0.168 120.179 119.914 0.161 0.000 3.049 266 V HA 0.771 4.889 4.120 -0.004 0.000 0.309 266 V C -1.682 174.488 176.094 0.126 0.000 1.148 266 V CA -0.893 61.470 62.300 0.106 0.000 0.990 266 V CB 2.171 34.076 31.823 0.136 0.000 1.039 266 V HN 1.070 nan 8.190 nan 0.000 0.430 267 K N 4.075 124.487 120.400 0.019 0.000 2.477 267 K HA 0.571 4.889 4.320 -0.004 0.000 0.255 267 K C -1.971 174.558 176.600 -0.119 0.000 0.952 267 K CA -0.472 55.796 56.287 -0.032 0.000 0.826 267 K CB 2.801 35.236 32.500 -0.108 0.000 1.331 267 K HN 0.553 nan 8.250 nan 0.000 0.437 268 F N 2.250 121.930 119.950 -0.450 0.000 2.520 268 F HA 0.597 5.122 4.527 -0.004 0.000 0.322 268 F C -1.455 173.863 175.800 -0.804 0.000 1.103 268 F CA -0.680 57.044 58.000 -0.460 0.000 0.926 268 F CB 0.854 39.685 39.000 -0.282 0.000 1.154 268 F HN 0.392 nan 8.300 nan 0.000 0.453 269 F N 3.723 122.962 119.950 -1.186 0.000 2.613 269 F HA 0.759 5.283 4.527 -0.004 0.000 0.314 269 F C -1.031 174.082 175.800 -1.144 0.000 1.075 269 F CA -1.206 56.185 58.000 -1.015 0.000 0.945 269 F CB 2.093 40.444 39.000 -1.082 0.000 1.310 269 F HN 0.147 nan 8.300 nan 0.000 0.467 270 V N 2.319 121.993 119.914 -0.401 0.000 2.686 270 V HA 0.648 4.766 4.120 -0.004 0.000 0.306 270 V C -1.193 174.976 176.094 0.126 0.000 1.065 270 V CA -0.841 61.314 62.300 -0.242 0.000 0.894 270 V CB 1.939 33.443 31.823 -0.532 0.000 1.004 270 V HN 0.627 nan 8.190 nan 0.000 0.424 271 V N 3.750 123.814 119.914 0.250 0.000 2.680 271 V HA 0.582 4.700 4.120 -0.004 0.000 0.309 271 V C -0.376 175.944 176.094 0.377 0.000 1.052 271 V CA -0.612 61.867 62.300 0.298 0.000 0.908 271 V CB 2.170 34.116 31.823 0.206 0.000 1.001 271 V HN 0.941 nan 8.190 nan 0.000 0.431 272 N N 3.606 122.509 118.700 0.340 0.000 2.439 272 N HA 0.090 4.828 4.740 -0.004 0.000 0.243 272 N C 1.188 176.705 175.510 0.012 0.000 1.088 272 N CA 0.603 53.739 53.050 0.145 0.000 0.940 272 N CB 1.460 40.002 38.487 0.092 0.000 1.180 272 N HN 0.926 nan 8.380 nan 0.000 0.505 273 T N -0.159 114.399 114.554 0.006 0.000 3.007 273 T HA -0.068 4.279 4.350 -0.004 0.000 0.270 273 T C 0.812 175.473 174.700 -0.065 0.000 1.107 273 T CA 0.846 62.948 62.100 0.004 0.000 1.118 273 T CB 0.070 69.039 68.868 0.168 0.000 0.889 273 T HN 0.226 nan 8.240 nan 0.000 0.506 274 D N 1.754 122.089 120.400 -0.107 0.000 2.348 274 D HA 0.001 4.639 4.640 -0.004 0.000 0.216 274 D C 2.103 178.343 176.300 -0.100 0.000 0.970 274 D CA 1.158 55.091 54.000 -0.112 0.000 0.889 274 D CB -0.101 40.611 40.800 -0.147 0.000 0.912 274 D HN 0.701 nan 8.370 nan 0.000 0.524 275 S N -0.899 114.745 115.700 -0.093 0.000 2.540 275 S HA 0.131 4.598 4.470 -0.004 0.000 0.218 275 S C 1.906 176.440 174.600 -0.111 0.000 0.977 275 S CA -0.305 57.855 58.200 -0.066 0.000 0.918 275 S CB -0.123 63.069 63.200 -0.013 0.000 0.806 275 S HN 0.136 nan 8.310 nan 0.000 0.496 276 L N 2.307 123.395 121.223 -0.225 0.000 2.042 276 L HA -0.101 4.237 4.340 -0.004 0.000 0.210 276 L C 2.759 179.354 176.870 -0.457 0.000 1.076 276 L CA 1.674 56.238 54.840 -0.460 0.000 0.749 276 L CB -0.745 40.778 42.059 -0.893 0.000 0.893 276 L HN 0.589 nan 8.230 nan 0.000 0.432 277 S N -2.746 112.775 115.700 -0.298 0.000 2.603 277 S HA 0.037 4.505 4.470 -0.004 0.000 0.220 277 S C 1.577 176.194 174.600 0.030 0.000 0.967 277 S CA 0.456 58.641 58.200 -0.026 0.000 0.920 277 S CB 0.311 63.548 63.200 0.061 0.000 0.773 277 S HN 0.250 nan 8.310 nan 0.000 0.529 278 S N 0.629 116.325 115.700 -0.006 0.000 2.506 278 S HA 0.339 4.807 4.470 -0.004 0.000 0.219 278 S C 0.490 175.109 174.600 0.032 0.000 1.031 278 S CA 0.104 58.316 58.200 0.020 0.000 0.911 278 S CB 0.696 63.901 63.200 0.010 0.000 0.812 278 S HN 0.645 nan 8.310 nan 0.000 0.497 279 V N 0.238 120.169 119.914 0.028 0.000 2.914 279 V HA 0.598 4.716 4.120 -0.004 0.000 0.314 279 V C 1.235 177.373 176.094 0.073 0.000 1.084 279 V CA -0.315 62.012 62.300 0.045 0.000 0.963 279 V CB 1.123 32.971 31.823 0.041 0.000 1.025 279 V HN 0.251 nan 8.190 nan 0.000 0.432 280 T N -0.789 113.810 114.554 0.075 0.000 2.788 280 T HA -0.050 4.298 4.350 -0.004 0.000 0.268 280 T C 0.788 175.562 174.700 0.123 0.000 1.044 280 T CA 1.795 63.954 62.100 0.098 0.000 1.139 280 T CB -0.386 68.519 68.868 0.062 0.000 0.867 280 T HN 0.847 nan 8.240 nan 0.000 0.454 281 N N 1.050 119.804 118.700 0.090 0.000 2.675 281 N HA 0.520 5.258 4.740 -0.004 0.000 0.254 281 N C -0.940 174.628 175.510 0.096 0.000 1.224 281 N CA -0.204 52.912 53.050 0.110 0.000 0.777 281 N CB 1.157 39.648 38.487 0.006 0.000 1.256 281 N HN 0.566 nan 8.380 nan 0.000 0.531 282 A N 1.790 124.673 122.820 0.105 0.000 2.546 282 A HA 0.277 4.595 4.320 -0.004 0.000 0.243 282 A C 0.342 177.995 177.584 0.115 0.000 1.063 282 A CA 0.376 52.467 52.037 0.089 0.000 0.757 282 A CB -0.224 18.810 19.000 0.057 0.000 0.991 282 A HN 0.537 nan 8.150 nan 0.000 0.503 283 T N 2.803 117.430 114.554 0.121 0.000 2.851 283 T HA 0.299 4.647 4.350 -0.004 0.000 0.298 283 T C 0.441 175.245 174.700 0.174 0.000 0.977 283 T CA 0.109 62.291 62.100 0.135 0.000 1.126 283 T CB 0.610 69.561 68.868 0.137 0.000 0.916 283 T HN 0.531 nan 8.240 nan 0.000 0.529 284 S N 3.808 119.603 115.700 0.159 0.000 2.411 284 S HA 0.293 4.760 4.470 -0.004 0.000 0.294 284 S C 0.372 175.137 174.600 0.276 0.000 1.115 284 S CA -0.763 57.548 58.200 0.184 0.000 1.071 284 S CB -0.084 63.148 63.200 0.054 0.000 0.967 284 S HN 0.438 nan 8.310 nan 0.000 0.488 285 I N 3.774 124.513 120.570 0.281 0.000 2.396 285 I HA 0.182 4.350 4.170 -0.004 0.000 0.289 285 I C 0.735 176.967 176.117 0.191 0.000 1.056 285 I CA -0.035 61.436 61.300 0.284 0.000 1.365 285 I CB 0.337 38.584 38.000 0.411 0.000 1.407 285 I HN 0.638 nan 8.210 nan 0.000 0.509 286 Q N 6.320 126.202 119.800 0.135 0.000 2.293 286 Q HA 0.476 4.814 4.340 -0.004 0.000 0.251 286 Q C -1.074 174.861 176.000 -0.109 0.000 0.930 286 Q CA -0.425 55.252 55.803 -0.210 0.000 0.893 286 Q CB 1.264 29.795 28.738 -0.345 0.000 1.215 286 Q HN 0.563 nan 8.270 nan 0.000 0.425 287 I N 3.808 124.306 120.570 -0.121 0.000 2.355 287 I HA 0.205 4.373 4.170 -0.004 0.000 0.288 287 I C 0.148 176.269 176.117 0.005 0.000 0.999 287 I CA -0.683 60.627 61.300 0.016 0.000 1.163 287 I CB 1.713 39.773 38.000 0.100 0.000 1.316 287 I HN 0.688 nan 8.210 nan 0.000 0.454 288 T N 3.091 117.607 114.554 -0.064 0.000 2.904 288 T HA 0.661 5.009 4.350 -0.004 0.000 0.290 288 T C 0.362 174.867 174.700 -0.326 0.000 1.018 288 T CA -0.803 61.200 62.100 -0.162 0.000 1.075 288 T CB 1.614 70.382 68.868 -0.167 0.000 0.986 288 T HN 0.587 nan 8.240 nan 0.000 0.523 289 A N 3.914 126.285 122.820 -0.749 0.000 2.406 289 A HA 0.541 4.859 4.320 -0.004 0.000 0.243 289 A C -1.743 175.359 177.584 -0.804 0.000 1.082 289 A CA -1.412 49.743 52.037 -1.470 0.000 0.786 289 A CB -0.689 17.038 19.000 -2.123 0.000 1.029 289 A HN 0.830 nan 8.150 nan 0.000 0.495 290 P HA 0.148 nan 4.420 nan 0.000 0.272 290 P C 0.760 177.851 177.300 -0.348 0.000 1.240 290 P CA 0.533 63.404 63.100 -0.380 0.000 0.791 290 P CB 0.741 32.285 31.700 -0.260 0.000 0.978 291 A N 2.190 124.874 122.820 -0.225 0.000 1.948 291 A HA -0.216 4.102 4.320 -0.004 0.000 0.220 291 A C 2.265 179.740 177.584 -0.182 0.000 1.177 291 A CA 2.547 54.473 52.037 -0.186 0.000 0.636 291 A CB -1.878 17.047 19.000 -0.126 0.000 0.815 291 A HN 0.686 nan 8.150 nan 0.000 0.449 292 S N -1.208 114.402 115.700 -0.151 0.000 2.440 292 S HA -0.135 4.333 4.470 -0.004 0.000 0.238 292 S C 1.750 176.260 174.600 -0.151 0.000 1.010 292 S CA 1.684 59.814 58.200 -0.116 0.000 0.972 292 S CB -0.324 62.880 63.200 0.007 0.000 0.774 292 S HN 0.433 nan 8.310 nan 0.000 0.501 293 M N 0.650 120.094 119.600 -0.259 0.000 2.552 293 M HA 0.357 4.835 4.480 -0.004 0.000 0.264 293 M C 2.003 178.032 176.300 -0.452 0.000 1.159 293 M CA 0.613 55.691 55.300 -0.371 0.000 1.176 293 M CB -1.045 31.170 32.600 -0.641 0.000 1.327 293 M HN 0.313 nan 8.290 nan 0.000 0.481 294 L N 1.024 121.981 121.223 -0.445 0.000 2.353 294 L HA -0.142 4.196 4.340 -0.004 0.000 0.220 294 L C 2.267 179.069 176.870 -0.115 0.000 1.133 294 L CA 0.649 55.323 54.840 -0.277 0.000 0.798 294 L CB -0.880 41.029 42.059 -0.249 0.000 0.922 294 L HN 0.312 nan 8.230 nan 0.000 0.445 295 I N -2.663 117.837 120.570 -0.117 0.000 2.756 295 I HA 0.110 4.278 4.170 -0.004 0.000 0.262 295 I C 1.075 177.168 176.117 -0.039 0.000 1.225 295 I CA 0.687 61.941 61.300 -0.076 0.000 1.472 295 I CB -0.467 37.478 38.000 -0.092 0.000 1.094 295 I HN 0.079 nan 8.210 nan 0.000 0.454 296 G N -0.147 108.649 108.800 -0.006 0.000 2.682 296 G HA2 0.288 4.246 3.960 -0.004 0.000 0.303 296 G HA3 0.288 4.246 3.960 -0.004 0.000 0.303 296 G C -1.817 173.136 174.900 0.089 0.000 1.341 296 G CA -0.631 44.480 45.100 0.018 0.000 0.784 296 G HN 0.008 nan 8.290 nan 0.000 0.497 297 D N 1.132 121.533 120.400 0.001 0.000 2.423 297 D HA 0.421 5.058 4.640 -0.004 0.000 0.238 297 D C 0.365 176.598 176.300 -0.110 0.000 1.142 297 D CA 0.738 54.675 54.000 -0.106 0.000 0.884 297 D CB 0.501 41.201 40.800 -0.166 0.000 1.199 297 D HN 0.555 nan 8.370 nan 0.000 0.438 298 H N -1.092 117.835 119.070 -0.238 0.000 2.948 298 H HA 0.433 4.987 4.556 -0.004 0.000 0.315 298 H C -1.410 173.789 175.328 -0.215 0.000 1.360 298 H CA -0.807 55.109 56.048 -0.219 0.000 1.125 298 H CB 0.312 30.080 29.762 0.010 0.000 1.844 298 H HN 0.303 nan 8.280 nan 0.000 0.529 299 Y N 0.027 120.562 120.300 0.392 0.000 2.545 299 Y HA 0.415 4.963 4.550 -0.004 0.000 0.348 299 Y C -0.395 175.809 175.900 0.507 0.000 1.002 299 Y CA -1.156 57.188 58.100 0.406 0.000 1.039 299 Y CB 2.015 40.590 38.460 0.191 0.000 1.271 299 Y HN 0.488 nan 8.280 nan 0.000 0.467 300 L N 3.020 124.621 121.223 0.629 0.000 2.264 300 L HA 0.439 4.776 4.340 -0.004 0.000 0.289 300 L C 0.348 177.415 176.870 0.327 0.000 1.044 300 L CA -0.300 54.584 54.840 0.074 0.000 0.807 300 L CB 0.497 42.473 42.059 -0.139 0.000 1.192 300 L HN 0.982 nan 8.230 nan 0.000 0.425 301 C N 1.227 120.583 119.300 0.092 0.000 3.392 301 C HA 0.530 4.988 4.460 -0.004 0.000 0.301 301 C C 0.147 175.135 174.990 -0.004 0.000 1.354 301 C CA -0.381 58.758 59.018 0.203 0.000 1.732 301 C CB -0.643 27.182 27.740 0.142 0.000 2.269 301 C HN 0.847 nan 8.230 nan 0.000 0.673 302 D N 0.209 120.439 120.400 -0.284 0.000 2.769 302 D HA 0.459 5.097 4.640 -0.004 0.000 0.219 302 D C -1.853 174.014 176.300 -0.722 0.000 1.245 302 D CA 0.118 53.853 54.000 -0.441 0.000 0.801 302 D CB 2.720 43.334 40.800 -0.309 0.000 1.598 302 D HN 0.052 nan 8.370 nan 0.000 0.485 303 V N 2.319 121.705 119.914 -0.880 0.000 2.569 303 V HA 0.594 4.712 4.120 -0.004 0.000 0.301 303 V C -0.505 175.102 176.094 -0.811 0.000 1.044 303 V CA -0.413 61.196 62.300 -1.152 0.000 0.874 303 V CB 2.010 32.600 31.823 -2.056 0.000 1.002 303 V HN 0.665 nan 8.190 nan 0.000 0.424 304 T N 3.368 117.551 114.554 -0.618 0.000 3.109 304 T HA 0.346 4.694 4.350 -0.004 0.000 0.311 304 T C -0.970 173.539 174.700 -0.318 0.000 1.011 304 T CA -0.482 61.431 62.100 -0.312 0.000 1.026 304 T CB 0.880 69.659 68.868 -0.150 0.000 1.047 304 T HN 0.522 nan 8.240 nan 0.000 0.448 305 W N 2.064 123.274 121.300 -0.149 0.000 2.216 305 W HA 0.491 5.149 4.660 -0.004 0.000 0.326 305 W C 1.120 177.489 176.519 -0.250 0.000 1.319 305 W CA -0.301 56.957 57.345 -0.145 0.000 1.213 305 W CB 0.645 30.109 29.460 0.008 0.000 1.171 305 W HN 0.856 nan 8.180 nan 0.000 0.557 306 A N 1.881 124.581 122.820 -0.200 0.000 1.944 306 A HA 0.200 4.518 4.320 -0.004 0.000 0.207 306 A C 0.882 178.418 177.584 -0.081 0.000 1.265 306 A CA 1.459 53.155 52.037 -0.568 0.000 0.712 306 A CB -0.336 17.882 19.000 -1.304 0.000 0.915 306 A HN 0.525 nan 8.150 nan 0.000 0.470 307 T N -5.439 109.166 114.554 0.086 0.000 2.654 307 T HA 0.353 4.701 4.350 -0.004 0.000 0.289 307 T C 0.173 175.027 174.700 0.257 0.000 1.062 307 T CA -0.366 61.827 62.100 0.155 0.000 1.041 307 T CB 0.727 69.674 68.868 0.131 0.000 1.417 307 T HN -0.044 nan 8.240 nan 0.000 0.510 308 Q N 0.299 120.216 119.800 0.196 0.000 2.291 308 Q HA 0.037 4.375 4.340 -0.004 0.000 0.206 308 Q C 0.774 177.014 176.000 0.400 0.000 0.976 308 Q CA 1.444 57.365 55.803 0.196 0.000 0.875 308 Q CB -0.123 28.698 28.738 0.137 0.000 0.927 308 Q HN 0.829 nan 8.270 nan 0.000 0.450 309 E N -0.235 120.210 120.200 0.409 0.000 2.876 309 E HA 0.202 4.550 4.350 -0.004 0.000 0.208 309 E C -0.286 176.592 176.600 0.463 0.000 0.981 309 E CA -0.168 56.505 56.400 0.455 0.000 1.174 309 E CB 1.028 30.902 29.700 0.291 0.000 1.047 309 E HN -0.041 nan 8.360 nan 0.000 0.477 310 R N 1.639 122.427 120.500 0.479 0.000 2.538 310 R HA 0.523 4.861 4.340 -0.004 0.000 0.292 310 R C -1.730 174.605 176.300 0.057 0.000 1.008 310 R CA -0.448 55.808 56.100 0.260 0.000 0.896 310 R CB 1.316 31.658 30.300 0.071 0.000 1.187 310 R HN 0.085 nan 8.270 nan 0.000 0.440 311 I N 3.062 123.505 120.570 -0.213 0.000 2.608 311 I HA 0.458 4.625 4.170 -0.004 0.000 0.295 311 I C -0.948 174.849 176.117 -0.534 0.000 1.049 311 I CA -0.540 60.354 61.300 -0.676 0.000 1.063 311 I CB 2.274 39.442 38.000 -1.385 0.000 1.248 311 I HN 0.854 nan 8.210 nan 0.000 0.424 312 S N 7.569 122.925 115.700 -0.573 0.000 2.503 312 S HA 0.770 5.238 4.470 -0.004 0.000 0.301 312 S C -1.053 173.197 174.600 -0.584 0.000 1.087 312 S CA -0.730 57.206 58.200 -0.440 0.000 1.042 312 S CB 1.621 64.665 63.200 -0.259 0.000 1.043 312 S HN 0.554 nan 8.310 nan 0.000 0.489 313 L N 1.989 122.884 121.223 -0.546 0.000 2.408 313 L HA 0.561 4.899 4.340 -0.004 0.000 0.268 313 L C -0.475 176.062 176.870 -0.554 0.000 0.986 313 L CA -0.675 53.719 54.840 -0.743 0.000 0.820 313 L CB 2.237 43.752 42.059 -0.906 0.000 1.303 313 L HN 0.689 nan 8.230 nan 0.000 0.411 314 Q N 1.658 121.089 119.800 -0.614 0.000 2.333 314 Q HA 0.451 4.789 4.340 -0.004 0.000 0.267 314 Q C -1.751 174.017 176.000 -0.387 0.000 1.012 314 Q CA -0.582 55.011 55.803 -0.350 0.000 0.824 314 Q CB 2.562 31.157 28.738 -0.238 0.000 1.290 314 Q HN 0.411 nan 8.270 nan 0.000 0.449 315 W N 2.346 123.610 121.300 -0.059 0.000 2.639 315 W HA 0.652 5.310 4.660 -0.003 0.000 0.347 315 W C -0.902 175.672 176.519 0.091 0.000 1.067 315 W CA -0.680 56.688 57.345 0.038 0.000 1.218 315 W CB 1.095 30.551 29.460 -0.007 0.000 1.393 315 W HN 0.377 nan 8.180 nan 0.000 0.557 316 L N 2.488 123.973 121.223 0.437 0.000 2.410 316 L HA 0.555 4.893 4.340 -0.004 0.000 0.270 316 L C -0.161 176.930 176.870 0.369 0.000 0.983 316 L CA -1.142 53.913 54.840 0.358 0.000 0.822 316 L CB 1.372 43.636 42.059 0.342 0.000 1.285 316 L HN 0.408 nan 8.230 nan 0.000 0.409 317 R N 2.475 123.148 120.500 0.289 0.000 2.641 317 R HA 0.222 4.560 4.340 -0.004 0.000 0.269 317 R C 0.996 177.367 176.300 0.118 0.000 1.074 317 R CA -0.186 56.024 56.100 0.184 0.000 1.133 317 R CB 0.552 30.943 30.300 0.152 0.000 1.029 317 R HN 0.650 nan 8.270 nan 0.000 0.488 318 R N 1.284 121.755 120.500 -0.050 0.000 2.127 318 R HA -0.085 4.253 4.340 -0.004 0.000 0.238 318 R C 0.379 176.736 176.300 0.095 0.000 1.134 318 R CA 1.159 57.211 56.100 -0.080 0.000 0.975 318 R CB 0.168 30.373 30.300 -0.157 0.000 0.865 318 R HN 0.380 nan 8.270 nan 0.000 0.447 319 I N 2.851 123.464 120.570 0.073 0.000 2.294 319 I HA 0.009 4.177 4.170 -0.004 0.000 0.295 319 I C 0.226 176.414 176.117 0.119 0.000 1.098 319 I CA 0.359 61.705 61.300 0.077 0.000 1.277 319 I CB 0.958 38.988 38.000 0.051 0.000 1.434 319 I HN 0.273 nan 8.210 nan 0.000 0.498 320 Q N 4.585 124.456 119.800 0.120 0.000 2.294 320 Q HA -0.062 4.276 4.340 -0.004 0.000 0.222 320 Q C 0.565 176.655 176.000 0.150 0.000 0.903 320 Q CA 0.124 56.013 55.803 0.144 0.000 0.966 320 Q CB -0.306 28.482 28.738 0.083 0.000 1.091 320 Q HN 0.619 nan 8.270 nan 0.000 0.438 321 N N -0.944 117.846 118.700 0.150 0.000 2.200 321 N HA -0.030 4.708 4.740 -0.004 0.000 0.224 321 N C -1.116 174.506 175.510 0.186 0.000 1.179 321 N CA -0.250 52.878 53.050 0.130 0.000 0.877 321 N CB 0.321 38.859 38.487 0.086 0.000 1.072 321 N HN 0.180 nan 8.380 nan 0.000 0.519 322 Y N 0.313 120.651 120.300 0.062 0.000 2.332 322 Y HA 0.561 5.109 4.550 -0.004 0.000 0.325 322 Y C -1.205 174.743 175.900 0.080 0.000 1.054 322 Y CA -0.833 57.301 58.100 0.056 0.000 1.119 322 Y CB 1.665 40.148 38.460 0.039 0.000 1.168 322 Y HN 0.031 nan 8.280 nan 0.000 0.439 323 S N 4.459 120.037 115.700 -0.203 0.000 2.542 323 S HA 0.901 5.369 4.470 -0.004 0.000 0.293 323 S C -1.985 172.504 174.600 -0.185 0.000 1.089 323 S CA -0.478 57.682 58.200 -0.065 0.000 0.961 323 S CB 1.385 64.582 63.200 -0.005 0.000 1.062 323 S HN 0.456 nan 8.310 nan 0.000 0.483 324 V N 4.801 124.713 119.914 -0.003 0.000 2.638 324 V HA 0.539 4.657 4.120 -0.004 0.000 0.306 324 V C -0.373 175.762 176.094 0.067 0.000 1.052 324 V CA -0.665 61.639 62.300 0.005 0.000 0.885 324 V CB 1.795 33.654 31.823 0.061 0.000 0.999 324 V HN 0.955 nan 8.190 nan 0.000 0.424 325 M N 3.833 123.440 119.600 0.012 0.000 2.149 325 M HA 0.542 5.020 4.480 -0.004 0.000 0.342 325 M C -1.464 174.848 176.300 0.020 0.000 1.068 325 M CA -0.316 54.966 55.300 -0.030 0.000 0.991 325 M CB 1.224 33.744 32.600 -0.133 0.000 1.596 325 M HN 0.600 nan 8.290 nan 0.000 0.439 326 D N 5.195 125.600 120.400 0.007 0.000 2.185 326 D HA 0.546 5.184 4.640 -0.004 0.000 0.247 326 D C -0.917 175.349 176.300 -0.057 0.000 1.027 326 D CA -0.048 53.955 54.000 0.006 0.000 0.861 326 D CB 1.963 42.788 40.800 0.042 0.000 1.202 326 D HN 0.611 nan 8.370 nan 0.000 0.453 327 I N 2.061 122.621 120.570 -0.017 0.000 2.410 327 I HA 0.290 4.457 4.170 -0.004 0.000 0.286 327 I C -0.598 175.513 176.117 -0.010 0.000 1.009 327 I CA -0.604 60.675 61.300 -0.036 0.000 1.111 327 I CB 1.349 39.379 38.000 0.049 0.000 1.262 327 I HN 0.161 nan 8.210 nan 0.000 0.443 328 c N 3.859 122.444 118.600 -0.025 0.000 2.379 328 c HA 0.533 5.101 4.570 -0.004 0.000 0.323 328 c C -0.287 173.948 174.090 0.241 0.000 1.262 328 c CA -0.737 55.649 56.329 0.096 0.000 1.581 328 c CB 0.951 43.518 42.510 0.096 0.000 2.221 328 c HN 0.585 nan 8.230 nan 0.000 0.497 329 D N 0.414 120.934 120.400 0.200 0.000 2.185 329 D HA 0.323 4.961 4.640 -0.004 0.000 0.247 329 D C -0.628 175.602 176.300 -0.116 0.000 1.027 329 D CA -0.194 53.878 54.000 0.120 0.000 0.861 329 D CB 0.823 41.643 40.800 0.034 0.000 1.202 329 D HN 0.573 nan 8.370 nan 0.000 0.453 330 Y N 1.533 121.444 120.300 -0.648 0.000 2.377 330 Y HA 0.205 4.753 4.550 -0.003 0.000 0.330 330 Y C -0.191 175.404 175.900 -0.509 0.000 1.108 330 Y CA -0.366 57.018 58.100 -1.194 0.000 1.308 330 Y CB 0.717 38.390 38.460 -1.311 0.000 1.216 330 Y HN 0.190 nan 8.280 nan 0.000 0.518 331 D N 5.347 125.108 120.400 -1.066 0.000 2.467 331 D HA 0.072 4.710 4.640 -0.004 0.000 0.220 331 D C 0.832 176.563 176.300 -0.947 0.000 1.103 331 D CA -0.113 53.463 54.000 -0.706 0.000 0.886 331 D CB 0.511 41.057 40.800 -0.423 0.000 1.025 331 D HN 0.827 nan 8.370 nan 0.000 0.514 332 E N 2.001 121.786 120.200 -0.691 0.000 2.267 332 E HA -0.214 4.133 4.350 -0.004 0.000 0.197 332 E C 1.173 177.649 176.600 -0.206 0.000 0.998 332 E CA 1.196 57.378 56.400 -0.364 0.000 0.830 332 E CB 0.348 30.036 29.700 -0.020 0.000 0.751 332 E HN 0.532 nan 8.360 nan 0.000 0.491 333 S N -0.504 115.071 115.700 -0.208 0.000 2.406 333 S HA -0.075 4.393 4.470 -0.004 0.000 0.224 333 S C 2.021 176.553 174.600 -0.114 0.000 1.030 333 S CA 0.905 59.034 58.200 -0.118 0.000 0.958 333 S CB 0.116 63.260 63.200 -0.093 0.000 0.811 333 S HN 0.243 nan 8.310 nan 0.000 0.489 334 S N -0.147 115.449 115.700 -0.173 0.000 2.523 334 S HA 0.483 4.951 4.470 -0.004 0.000 0.217 334 S C 1.567 176.098 174.600 -0.115 0.000 0.996 334 S CA 0.457 58.585 58.200 -0.120 0.000 0.921 334 S CB -0.271 62.863 63.200 -0.111 0.000 0.829 334 S HN 1.462 nan 8.310 nan 0.000 0.495 335 G N 1.993 110.656 108.800 -0.229 0.000 2.168 335 G HA2 -0.242 3.716 3.960 -0.004 0.000 0.257 335 G HA3 -0.242 3.716 3.960 -0.004 0.000 0.257 335 G C 0.110 174.993 174.900 -0.029 0.000 0.997 335 G CA 0.288 45.342 45.100 -0.076 0.000 0.708 335 G HN 0.522 nan 8.290 nan 0.000 0.520 336 R N -1.626 118.744 120.500 -0.217 0.000 2.797 336 R HA 0.677 5.014 4.340 -0.004 0.000 0.251 336 R C -0.743 175.405 176.300 -0.254 0.000 1.107 336 R CA -1.065 54.993 56.100 -0.070 0.000 1.084 336 R CB 0.579 30.861 30.300 -0.029 0.000 1.205 336 R HN 0.186 nan 8.270 nan 0.000 0.515 337 W N 0.512 121.816 121.300 0.008 0.000 2.471 337 W HA 0.400 5.058 4.660 -0.004 0.000 0.318 337 W C -0.364 176.137 176.519 -0.030 0.000 1.034 337 W CA -0.368 56.977 57.345 -0.000 0.000 1.224 337 W CB 1.055 30.521 29.460 0.011 0.000 1.335 337 W HN 0.403 nan 8.180 nan 0.000 0.452 338 N N 2.043 120.810 118.700 0.112 0.000 2.314 338 N HA 0.598 5.336 4.740 -0.004 0.000 0.304 338 N C -1.509 174.039 175.510 0.064 0.000 1.073 338 N CA -0.609 52.476 53.050 0.059 0.000 0.822 338 N CB 1.308 39.791 38.487 -0.008 0.000 1.280 338 N HN 0.177 nan 8.380 nan 0.000 0.489 339 c N 2.419 121.042 118.600 0.038 0.000 2.291 339 c HA 0.403 4.971 4.570 -0.004 0.000 0.322 339 c C 0.218 174.309 174.090 0.001 0.000 1.205 339 c CA -1.119 55.223 56.329 0.023 0.000 1.495 339 c CB -1.138 41.379 42.510 0.012 0.000 2.127 339 c HN 0.603 nan 8.230 nan 0.000 0.452 340 L N 2.756 123.981 121.223 0.003 0.000 2.462 340 L HA 0.065 4.403 4.340 -0.004 0.000 0.272 340 L C 1.635 178.494 176.870 -0.020 0.000 1.166 340 L CA 0.251 55.086 54.840 -0.008 0.000 0.880 340 L CB 0.691 42.749 42.059 -0.001 0.000 1.142 340 L HN 0.691 nan 8.230 nan 0.000 0.473 341 V N 4.418 124.314 119.914 -0.031 0.000 2.469 341 V HA -0.291 3.827 4.120 -0.004 0.000 0.251 341 V C 2.253 178.311 176.094 -0.060 0.000 1.064 341 V CA 2.232 64.505 62.300 -0.044 0.000 1.066 341 V CB -0.069 31.728 31.823 -0.043 0.000 0.667 341 V HN 1.000 nan 8.190 nan 0.000 0.461 342 A N -0.345 122.445 122.820 -0.049 0.000 2.172 342 A HA -0.095 4.223 4.320 -0.004 0.000 0.216 342 A C 2.159 179.693 177.584 -0.083 0.000 1.154 342 A CA 1.384 53.384 52.037 -0.061 0.000 0.701 342 A CB -0.450 18.529 19.000 -0.035 0.000 0.789 342 A HN 0.641 nan 8.150 nan 0.000 0.465 343 R N -0.933 119.534 120.500 -0.055 0.000 2.432 343 R HA 0.160 4.498 4.340 -0.004 0.000 0.260 343 R C 0.457 176.729 176.300 -0.047 0.000 0.935 343 R CA -0.156 55.939 56.100 -0.008 0.000 1.080 343 R CB 0.229 30.572 30.300 0.073 0.000 1.155 343 R HN 0.589 nan 8.270 nan 0.000 0.531 344 Q N 0.666 120.378 119.800 -0.146 0.000 2.261 344 Q HA 0.122 4.460 4.340 -0.004 0.000 0.252 344 Q C -1.146 174.678 176.000 -0.292 0.000 0.915 344 Q CA -0.190 55.547 55.803 -0.109 0.000 0.915 344 Q CB 0.766 29.459 28.738 -0.075 0.000 1.204 344 Q HN 0.216 nan 8.270 nan 0.000 0.421 345 H N 2.592 121.643 119.070 -0.031 0.000 2.529 345 H HA 0.429 4.983 4.556 -0.004 0.000 0.348 345 H C -0.820 174.459 175.328 -0.082 0.000 1.079 345 H CA -0.462 55.563 56.048 -0.037 0.000 1.198 345 H CB 1.196 30.916 29.762 -0.068 0.000 1.521 345 H HN 0.514 nan 8.280 nan 0.000 0.514 346 I N 1.946 122.519 120.570 0.004 0.000 2.437 346 I HA 0.266 4.434 4.170 -0.004 0.000 0.298 346 I C -0.035 176.017 176.117 -0.109 0.000 0.984 346 I CA -0.280 60.941 61.300 -0.132 0.000 1.214 346 I CB 1.464 39.364 38.000 -0.166 0.000 1.365 346 I HN 0.566 nan 8.210 nan 0.000 0.469 347 E N 7.837 127.915 120.200 -0.203 0.000 2.265 347 E HA 0.529 4.877 4.350 -0.004 0.000 0.262 347 E C -1.232 175.269 176.600 -0.164 0.000 0.889 347 E CA -0.653 55.681 56.400 -0.110 0.000 0.789 347 E CB 1.386 31.053 29.700 -0.055 0.000 1.221 347 E HN 0.600 nan 8.360 nan 0.000 0.414 348 M N 1.097 120.645 119.600 -0.088 0.000 2.691 348 M HA 0.660 5.138 4.480 -0.004 0.000 0.293 348 M C -1.109 175.198 176.300 0.013 0.000 1.259 348 M CA -0.963 54.318 55.300 -0.032 0.000 0.827 348 M CB 2.259 34.877 32.600 0.029 0.000 1.753 348 M HN 0.261 nan 8.290 nan 0.000 0.465 349 S N -0.314 115.402 115.700 0.027 0.000 2.557 349 S HA 0.516 4.984 4.470 -0.004 0.000 0.291 349 S C 0.337 174.934 174.600 -0.005 0.000 1.116 349 S CA 0.001 58.199 58.200 -0.003 0.000 0.992 349 S CB 1.686 64.851 63.200 -0.058 0.000 1.028 349 S HN 0.902 nan 8.310 nan 0.000 0.484 350 T N 0.258 114.809 114.554 -0.005 0.000 3.051 350 T HA 0.027 4.375 4.350 -0.004 0.000 0.255 350 T C 1.543 176.226 174.700 -0.028 0.000 1.085 350 T CA 1.105 63.202 62.100 -0.004 0.000 1.109 350 T CB -0.483 68.388 68.868 0.006 0.000 0.921 350 T HN 0.690 nan 8.240 nan 0.000 0.488 351 T N -2.157 112.370 114.554 -0.045 0.000 3.014 351 T HA 0.611 4.958 4.350 -0.004 0.000 0.250 351 T C 1.109 175.627 174.700 -0.304 0.000 1.060 351 T CA 0.324 62.390 62.100 -0.057 0.000 1.040 351 T CB 0.437 69.348 68.868 0.071 0.000 0.971 351 T HN 0.609 nan 8.240 nan 0.000 0.497 352 G N 0.401 108.848 108.800 -0.588 0.000 2.791 352 G HA2 0.493 4.451 3.960 -0.004 0.000 0.158 352 G HA3 0.493 4.451 3.960 -0.004 0.000 0.158 352 G C -1.624 172.989 174.900 -0.478 0.000 1.193 352 G CA -0.569 43.922 45.100 -1.015 0.000 1.032 352 G HN 0.484 nan 8.290 nan 0.000 0.557 353 W N -0.233 120.810 121.300 -0.428 0.000 2.492 353 W HA 0.775 5.433 4.660 -0.004 0.000 0.373 353 W C -0.452 176.029 176.519 -0.063 0.000 1.323 353 W CA -1.329 55.901 57.345 -0.192 0.000 1.406 353 W CB 0.703 30.023 29.460 -0.233 0.000 1.398 353 W HN 0.265 nan 8.180 nan 0.000 0.671 354 V N 2.878 122.897 119.914 0.174 0.000 2.407 354 V HA 0.694 4.812 4.120 -0.004 0.000 0.278 354 V C 0.765 176.967 176.094 0.180 0.000 1.037 354 V CA 0.385 62.745 62.300 0.100 0.000 0.900 354 V CB 0.032 31.908 31.823 0.088 0.000 0.983 354 V HN 1.273 nan 8.190 nan 0.000 0.459 355 G N 5.199 114.063 108.800 0.106 0.000 2.795 355 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.664 355 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.664 355 G C 0.360 175.391 174.900 0.218 0.000 1.381 355 G CA 0.196 45.386 45.100 0.149 0.000 0.853 355 G HN 0.657 nan 8.290 nan 0.000 0.545 356 R N -0.768 119.859 120.500 0.211 0.000 2.062 356 R HA 0.103 4.441 4.340 -0.004 0.000 0.231 356 R C 2.046 178.418 176.300 0.121 0.000 1.136 356 R CA 2.204 58.415 56.100 0.185 0.000 0.948 356 R CB -0.093 30.332 30.300 0.208 0.000 0.845 356 R HN 0.475 nan 8.270 nan 0.000 0.430 357 F N -1.004 119.113 119.950 0.278 0.000 2.778 357 F HA 0.242 4.767 4.527 -0.003 0.000 0.314 357 F C 0.352 176.218 175.800 0.110 0.000 1.073 357 F CA -0.439 57.665 58.000 0.173 0.000 1.218 357 F CB 0.772 39.869 39.000 0.161 0.000 1.037 357 F HN -0.106 nan 8.300 nan 0.000 0.594 358 R N -1.208 119.472 120.500 0.301 0.000 2.728 358 R HA 0.447 4.785 4.340 -0.004 0.000 0.274 358 R C -3.294 173.106 176.300 0.165 0.000 1.032 358 R CA -1.970 54.245 56.100 0.192 0.000 0.866 358 R CB 0.116 30.510 30.300 0.156 0.000 1.263 358 R HN -0.362 nan 8.270 nan 0.000 0.475 359 P HA -0.032 nan 4.420 nan 0.000 0.265 359 P C -0.380 176.956 177.300 0.060 0.000 1.187 359 P CA 0.116 63.259 63.100 0.071 0.000 0.766 359 P CB 0.643 32.359 31.700 0.026 0.000 0.820 360 S N 1.731 117.469 115.700 0.065 0.000 2.593 360 S HA 0.169 4.636 4.470 -0.004 0.000 0.269 360 S C 0.179 174.786 174.600 0.012 0.000 1.334 360 S CA -0.728 57.518 58.200 0.076 0.000 1.015 360 S CB 0.463 63.731 63.200 0.114 0.000 0.912 360 S HN 0.536 nan 8.310 nan 0.000 0.541 361 E N 1.627 121.840 120.200 0.021 0.000 2.301 361 E HA 0.388 4.736 4.350 -0.004 0.000 0.275 361 E C -2.799 173.739 176.600 -0.103 0.000 1.030 361 E CA -2.251 54.098 56.400 -0.085 0.000 0.852 361 E CB 0.574 30.209 29.700 -0.108 0.000 1.060 361 E HN 0.446 nan 8.360 nan 0.000 0.401 362 P HA 0.242 nan 4.420 nan 0.000 0.281 362 P C -0.773 176.339 177.300 -0.313 0.000 1.249 362 P CA -0.328 62.595 63.100 -0.295 0.000 0.810 362 P CB 0.812 31.999 31.700 -0.855 0.000 1.008 363 H N 1.878 120.945 119.070 -0.006 0.000 2.762 363 H HA 0.298 4.852 4.556 -0.004 0.000 0.310 363 H C -0.373 175.062 175.328 0.180 0.000 1.004 363 H CA -0.310 55.830 56.048 0.154 0.000 1.267 363 H CB 0.344 30.227 29.762 0.202 0.000 1.437 363 H HN 0.301 nan 8.280 nan 0.000 0.498 364 F N 1.833 121.959 119.950 0.294 0.000 2.389 364 F HA 0.081 4.606 4.527 -0.004 0.000 0.337 364 F C 1.618 177.605 175.800 0.312 0.000 1.112 364 F CA -0.495 57.688 58.000 0.305 0.000 1.192 364 F CB 1.012 40.122 39.000 0.183 0.000 1.185 364 F HN 0.366 nan 8.300 nan 0.000 0.552 365 T N 0.529 115.380 114.554 0.496 0.000 2.813 365 T HA 0.095 4.442 4.350 -0.004 0.000 0.297 365 T C 1.148 176.040 174.700 0.319 0.000 1.036 365 T CA -0.778 61.554 62.100 0.386 0.000 1.044 365 T CB 0.737 69.820 68.868 0.358 0.000 0.993 365 T HN 0.579 nan 8.240 nan 0.000 0.535 366 L N 1.493 122.857 121.223 0.235 0.000 2.021 366 L HA -0.128 4.210 4.340 -0.004 0.000 0.215 366 L C 2.176 179.151 176.870 0.174 0.000 1.074 366 L CA 2.606 57.556 54.840 0.185 0.000 0.760 366 L CB -1.189 40.953 42.059 0.139 0.000 0.889 366 L HN 0.974 nan 8.230 nan 0.000 0.433 367 D N -1.283 119.220 120.400 0.173 0.000 2.371 367 D HA 0.030 4.668 4.640 -0.004 0.000 0.221 367 D C 1.651 178.052 176.300 0.169 0.000 0.986 367 D CA 0.828 54.919 54.000 0.152 0.000 0.899 367 D CB -0.667 40.214 40.800 0.135 0.000 0.902 367 D HN 0.484 nan 8.370 nan 0.000 0.530 368 G N 0.409 109.346 108.800 0.228 0.000 2.166 368 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.260 368 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.260 368 G C 0.904 175.987 174.900 0.304 0.000 0.986 368 G CA 0.436 45.683 45.100 0.245 0.000 0.683 368 G HN 0.406 nan 8.290 nan 0.000 0.527 369 N N 0.123 118.986 118.700 0.271 0.000 2.353 369 N HA 0.185 4.923 4.740 -0.004 0.000 0.185 369 N C 0.865 176.501 175.510 0.209 0.000 1.098 369 N CA 1.110 54.292 53.050 0.221 0.000 0.872 369 N CB 0.497 39.072 38.487 0.145 0.000 0.970 369 N HN 0.900 nan 8.380 nan 0.000 0.467 370 S N -0.386 115.470 115.700 0.260 0.000 2.596 370 S HA 0.756 5.223 4.470 -0.004 0.000 0.270 370 S C -0.979 173.693 174.600 0.120 0.000 1.155 370 S CA -0.996 57.223 58.200 0.033 0.000 0.827 370 S CB 1.747 64.854 63.200 -0.154 0.000 1.130 370 S HN 0.125 nan 8.310 nan 0.000 0.467 371 F N -1.845 117.907 119.950 -0.331 0.000 2.686 371 F HA 0.834 5.359 4.527 -0.004 0.000 0.311 371 F C -2.169 173.440 175.800 -0.317 0.000 1.128 371 F CA -1.523 56.231 58.000 -0.411 0.000 0.946 371 F CB 0.621 38.945 39.000 -1.128 0.000 1.336 371 F HN 0.604 nan 8.300 nan 0.000 0.457 372 Y N 1.149 121.579 120.300 0.216 0.000 2.409 372 Y HA 0.708 5.256 4.550 -0.004 0.000 0.339 372 Y C -0.239 175.822 175.900 0.267 0.000 1.033 372 Y CA -0.849 57.373 58.100 0.204 0.000 1.094 372 Y CB 2.204 40.750 38.460 0.144 0.000 1.210 372 Y HN 0.757 nan 8.280 nan 0.000 0.456 373 K N 2.537 123.158 120.400 0.369 0.000 2.542 373 K HA 0.538 4.856 4.320 -0.004 0.000 0.259 373 K C -1.832 174.911 176.600 0.238 0.000 0.932 373 K CA -0.533 55.934 56.287 0.299 0.000 0.820 373 K CB 1.641 34.287 32.500 0.243 0.000 1.345 373 K HN 0.712 nan 8.250 nan 0.000 0.432 374 I N 5.923 126.608 120.570 0.193 0.000 2.441 374 I HA 0.339 4.507 4.170 -0.004 0.000 0.287 374 I C 0.088 176.307 176.117 0.171 0.000 1.049 374 I CA -0.443 60.953 61.300 0.161 0.000 1.381 374 I CB 0.560 38.636 38.000 0.126 0.000 1.409 374 I HN 0.518 nan 8.210 nan 0.000 0.523 375 I N 2.119 122.820 120.570 0.219 0.000 2.918 375 I HA 0.465 4.632 4.170 -0.004 0.000 0.301 375 I C -0.313 175.950 176.117 0.244 0.000 1.312 375 I CA -0.818 60.609 61.300 0.213 0.000 1.007 375 I CB 2.269 40.407 38.000 0.230 0.000 1.281 375 I HN 0.490 nan 8.210 nan 0.000 0.440 376 S N 2.468 118.241 115.700 0.122 0.000 2.548 376 S HA 0.338 4.806 4.470 -0.004 0.000 0.277 376 S C -0.035 174.606 174.600 0.069 0.000 1.315 376 S CA -0.693 57.524 58.200 0.028 0.000 1.050 376 S CB 0.506 63.646 63.200 -0.100 0.000 0.918 376 S HN 0.809 nan 8.310 nan 0.000 0.497 377 N N 1.894 120.505 118.700 -0.148 0.000 2.328 377 N HA 0.138 4.876 4.740 -0.004 0.000 0.277 377 N C 0.692 176.109 175.510 -0.154 0.000 1.286 377 N CA -0.587 52.238 53.050 -0.374 0.000 0.949 377 N CB -0.089 37.809 38.487 -0.982 0.000 1.136 377 N HN 0.561 nan 8.380 nan 0.000 0.550 378 E N -0.504 119.607 120.200 -0.148 0.000 2.265 378 E HA -0.127 4.221 4.350 -0.004 0.000 0.196 378 E C 0.820 177.370 176.600 -0.084 0.000 0.996 378 E CA 0.922 57.275 56.400 -0.079 0.000 0.832 378 E CB -0.249 29.412 29.700 -0.064 0.000 0.756 378 E HN 0.607 nan 8.360 nan 0.000 0.491 379 E N -0.342 119.801 120.200 -0.096 0.000 2.481 379 E HA 0.038 4.386 4.350 -0.004 0.000 0.195 379 E C 1.107 177.679 176.600 -0.046 0.000 1.047 379 E CA 0.681 57.069 56.400 -0.020 0.000 0.867 379 E CB 0.367 30.096 29.700 0.049 0.000 0.858 379 E HN 0.381 nan 8.360 nan 0.000 0.513 380 G N 0.727 109.445 108.800 -0.136 0.000 2.157 380 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.239 380 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.239 380 G C -0.249 174.378 174.900 -0.455 0.000 0.982 380 G CA -0.045 44.873 45.100 -0.303 0.000 0.650 380 G HN 0.189 nan 8.290 nan 0.000 0.527 381 Y N 0.524 120.704 120.300 -0.199 0.000 2.360 381 Y HA 0.653 5.201 4.550 -0.004 0.000 0.337 381 Y C 1.133 176.919 175.900 -0.189 0.000 1.039 381 Y CA -0.944 57.038 58.100 -0.197 0.000 1.109 381 Y CB 1.017 39.367 38.460 -0.183 0.000 1.201 381 Y HN 0.065 nan 8.280 nan 0.000 0.458 382 R N 3.781 124.203 120.500 -0.130 0.000 2.296 382 R HA 0.235 4.573 4.340 -0.004 0.000 0.323 382 R C -0.705 175.367 176.300 -0.380 0.000 1.067 382 R CA 0.051 56.068 56.100 -0.138 0.000 0.946 382 R CB 0.028 30.282 30.300 -0.077 0.000 0.991 382 R HN 0.670 nan 8.270 nan 0.000 0.448 383 H N 1.745 120.787 119.070 -0.047 0.000 2.949 383 H HA 0.338 4.892 4.556 -0.004 0.000 0.356 383 H C -0.104 175.302 175.328 0.130 0.000 1.212 383 H CA -0.966 55.034 56.048 -0.080 0.000 1.136 383 H CB 1.713 31.308 29.762 -0.279 0.000 1.869 383 H HN 0.309 nan 8.280 nan 0.000 0.556 384 I N 1.344 122.002 120.570 0.148 0.000 2.416 384 I HA 0.040 4.208 4.170 -0.004 0.000 0.288 384 I C 0.349 176.526 176.117 0.100 0.000 1.051 384 I CA 0.141 61.498 61.300 0.095 0.000 1.375 384 I CB 0.344 38.305 38.000 -0.064 0.000 1.407 384 I HN 0.139 nan 8.210 nan 0.000 0.516 385 c N 7.018 125.601 118.600 -0.028 0.000 2.411 385 c HA 0.450 5.018 4.570 -0.004 0.000 0.330 385 c C -0.466 173.483 174.090 -0.235 0.000 1.224 385 c CA -0.468 55.612 56.329 -0.415 0.000 1.770 385 c CB 1.053 43.030 42.510 -0.888 0.000 2.297 385 c HN 0.638 nan 8.230 nan 0.000 0.507 386 Y N 4.228 124.182 120.300 -0.577 0.000 2.331 386 Y HA 0.673 5.221 4.550 -0.004 0.000 0.338 386 Y C -1.065 174.362 175.900 -0.788 0.000 0.976 386 Y CA -1.031 56.681 58.100 -0.646 0.000 1.137 386 Y CB 0.342 38.520 38.460 -0.472 0.000 1.172 386 Y HN 0.628 nan 8.280 nan 0.000 0.478 387 F N 3.733 122.912 119.950 -1.284 0.000 2.522 387 F HA 0.453 4.978 4.527 -0.004 0.000 0.324 387 F C -0.131 174.939 175.800 -1.217 0.000 1.077 387 F CA -0.999 56.234 58.000 -1.278 0.000 0.944 387 F CB 1.706 39.605 39.000 -1.835 0.000 1.175 387 F HN 0.304 nan 8.300 nan 0.000 0.468 388 Q N 2.105 121.599 119.800 -0.511 0.000 2.241 388 Q HA 0.349 4.687 4.340 -0.004 0.000 0.254 388 Q C 0.907 176.903 176.000 -0.007 0.000 0.917 388 Q CA -0.256 55.373 55.803 -0.289 0.000 0.919 388 Q CB 1.473 30.099 28.738 -0.188 0.000 1.237 388 Q HN 0.693 nan 8.270 nan 0.000 0.434 389 I N -0.501 120.154 120.570 0.143 0.000 2.567 389 I HA -0.109 4.059 4.170 -0.004 0.000 0.257 389 I C 0.482 176.813 176.117 0.358 0.000 1.184 389 I CA 1.469 63.000 61.300 0.385 0.000 1.451 389 I CB -0.033 38.188 38.000 0.369 0.000 1.089 389 I HN 0.465 nan 8.210 nan 0.000 0.441 390 D N 0.722 121.225 120.400 0.171 0.000 2.501 390 D HA 0.218 4.856 4.640 -0.004 0.000 0.226 390 D C -0.131 176.184 176.300 0.026 0.000 1.198 390 D CA -0.338 53.707 54.000 0.075 0.000 0.830 390 D CB 0.030 40.858 40.800 0.045 0.000 1.014 390 D HN 0.390 nan 8.370 nan 0.000 0.496 391 K N 0.277 120.719 120.400 0.070 0.000 2.397 391 K HA 0.304 4.622 4.320 -0.004 0.000 0.253 391 K C 0.558 177.202 176.600 0.073 0.000 0.932 391 K CA -0.864 55.434 56.287 0.019 0.000 0.795 391 K CB 2.248 34.732 32.500 -0.025 0.000 1.159 391 K HN -0.328 nan 8.250 nan 0.000 0.424 392 K N 0.584 120.985 120.400 0.003 0.000 2.167 392 K HA 0.036 4.354 4.320 -0.004 0.000 0.203 392 K C -0.012 176.627 176.600 0.065 0.000 1.052 392 K CA 1.034 57.349 56.287 0.047 0.000 0.956 392 K CB 0.117 32.606 32.500 -0.018 0.000 0.735 392 K HN 0.583 nan 8.250 nan 0.000 0.451 393 D N 1.281 121.657 120.400 -0.041 0.000 2.264 393 D HA 0.071 4.708 4.640 -0.004 0.000 0.250 393 D C 0.330 176.439 176.300 -0.317 0.000 1.113 393 D CA -0.136 53.781 54.000 -0.139 0.000 0.871 393 D CB 1.293 42.024 40.800 -0.115 0.000 1.167 393 D HN 0.165 nan 8.370 nan 0.000 0.447 394 c N 0.591 118.848 118.600 -0.572 0.000 2.531 394 c HA 0.815 5.383 4.570 -0.004 0.000 0.369 394 c C 0.150 173.844 174.090 -0.659 0.000 1.258 394 c CA -0.568 55.187 56.329 -0.957 0.000 1.876 394 c CB 1.223 42.470 42.510 -2.106 0.000 2.256 394 c HN 0.478 nan 8.230 nan 0.000 0.510 395 T N 1.529 115.725 114.554 -0.596 0.000 2.812 395 T HA 0.506 4.854 4.350 -0.004 0.000 0.282 395 T C -0.835 173.641 174.700 -0.372 0.000 0.990 395 T CA 0.139 62.042 62.100 -0.328 0.000 0.960 395 T CB 0.570 69.383 68.868 -0.091 0.000 0.948 395 T HN 0.485 nan 8.240 nan 0.000 0.438 396 F N 3.126 122.953 119.950 -0.205 0.000 2.456 396 F HA 0.310 4.835 4.527 -0.004 0.000 0.358 396 F C 1.588 177.223 175.800 -0.275 0.000 1.095 396 F CA -0.970 56.899 58.000 -0.219 0.000 1.216 396 F CB 0.577 39.450 39.000 -0.211 0.000 1.125 396 F HN 0.577 nan 8.300 nan 0.000 0.549 397 I N -0.625 119.848 120.570 -0.161 0.000 4.057 397 I HA 0.247 4.415 4.170 -0.004 0.000 0.334 397 I C 0.122 176.089 176.117 -0.250 0.000 1.308 397 I CA 0.107 61.117 61.300 -0.484 0.000 1.125 397 I CB 0.069 37.527 38.000 -0.904 0.000 1.034 397 I HN 0.487 nan 8.210 nan 0.000 0.401 398 T N 0.139 114.615 114.554 -0.129 0.000 2.896 398 T HA 0.707 5.055 4.350 -0.004 0.000 0.297 398 T C -0.731 173.669 174.700 -0.500 0.000 1.108 398 T CA -0.677 61.354 62.100 -0.116 0.000 1.004 398 T CB 2.714 71.604 68.868 0.037 0.000 1.159 398 T HN 0.497 nan 8.240 nan 0.000 0.499 399 K N -0.116 119.816 120.400 -0.778 0.000 2.607 399 K HA 0.791 5.108 4.320 -0.004 0.000 0.287 399 K C -0.511 175.463 176.600 -1.043 0.000 0.996 399 K CA -0.862 54.583 56.287 -1.403 0.000 0.876 399 K CB 1.354 33.413 32.500 -0.735 0.000 1.496 399 K HN 1.605 nan 8.250 nan 0.000 0.415 400 G N -0.088 108.091 108.800 -1.035 0.000 2.351 400 G HA2 0.115 4.073 3.960 -0.004 0.000 0.353 400 G HA3 0.115 4.073 3.960 -0.004 0.000 0.353 400 G C -0.812 173.527 174.900 -0.934 0.000 1.358 400 G CA -0.351 44.319 45.100 -0.717 0.000 0.995 400 G HN 1.029 nan 8.290 nan 0.000 0.611 401 T N -0.424 113.730 114.554 -0.668 0.000 3.783 401 T HA 0.569 4.916 4.350 -0.004 0.000 0.262 401 T C 0.197 174.621 174.700 -0.460 0.000 1.381 401 T CA 0.482 61.972 62.100 -1.016 0.000 1.155 401 T CB -0.937 67.606 68.868 -0.541 0.000 1.256 401 T HN 1.481 nan 8.240 nan 0.000 0.807 402 W N -0.290 120.802 121.300 -0.347 0.000 2.895 402 W HA 0.640 5.298 4.660 -0.004 0.000 0.377 402 W C -1.473 175.042 176.519 -0.007 0.000 1.191 402 W CA -0.975 56.339 57.345 -0.051 0.000 1.179 402 W CB 0.624 30.047 29.460 -0.062 0.000 1.469 402 W HN 0.183 nan 8.180 nan 0.000 0.577 403 E N 0.725 121.126 120.200 0.336 0.000 2.343 403 E HA 0.456 4.804 4.350 -0.004 0.000 0.270 403 E C -1.222 175.495 176.600 0.195 0.000 0.895 403 E CA -1.172 55.238 56.400 0.017 0.000 0.767 403 E CB 3.415 33.163 29.700 0.081 0.000 1.248 403 E HN 0.151 nan 8.360 nan 0.000 0.440 404 V N 3.659 123.547 119.914 -0.043 0.000 2.488 404 V HA 0.019 4.137 4.120 -0.004 0.000 0.277 404 V C 1.205 177.383 176.094 0.140 0.000 1.046 404 V CA -0.029 62.334 62.300 0.105 0.000 0.986 404 V CB 0.664 32.439 31.823 -0.081 0.000 0.989 404 V HN 0.684 nan 8.190 nan 0.000 0.475 405 I N 3.245 123.927 120.570 0.186 0.000 2.400 405 I HA 0.240 4.408 4.170 -0.004 0.000 0.248 405 I C 1.116 177.344 176.117 0.184 0.000 1.109 405 I CA 1.250 62.654 61.300 0.174 0.000 1.425 405 I CB -0.731 37.309 38.000 0.067 0.000 1.094 405 I HN 0.748 nan 8.210 nan 0.000 0.425 406 G N 0.532 109.440 108.800 0.182 0.000 2.632 406 G HA2 0.533 4.491 3.960 -0.004 0.000 0.292 406 G HA3 0.533 4.491 3.960 -0.004 0.000 0.292 406 G C -1.341 173.653 174.900 0.156 0.000 1.465 406 G CA -0.574 44.629 45.100 0.172 0.000 0.824 406 G HN -0.041 nan 8.290 nan 0.000 0.509 407 I N 1.484 122.090 120.570 0.060 0.000 2.315 407 I HA 0.265 4.433 4.170 -0.004 0.000 0.291 407 I C 0.674 176.752 176.117 -0.065 0.000 1.006 407 I CA -0.629 60.616 61.300 -0.091 0.000 1.265 407 I CB 1.831 39.528 38.000 -0.504 0.000 1.387 407 I HN 0.495 nan 8.210 nan 0.000 0.475 408 E N 4.905 125.129 120.200 0.039 0.000 2.251 408 E HA 0.312 4.660 4.350 -0.004 0.000 0.194 408 E C 0.200 176.763 176.600 -0.062 0.000 0.964 408 E CA 0.233 56.692 56.400 0.099 0.000 0.868 408 E CB 0.713 30.572 29.700 0.264 0.000 0.828 408 E HN 0.679 nan 8.360 nan 0.000 0.481 409 A N 0.478 123.172 122.820 -0.210 0.000 2.599 409 A HA 0.589 4.907 4.320 -0.004 0.000 0.294 409 A C -2.021 175.483 177.584 -0.133 0.000 1.055 409 A CA -0.665 51.155 52.037 -0.361 0.000 0.683 409 A CB 1.175 19.449 19.000 -1.210 0.000 1.278 409 A HN 0.039 nan 8.150 nan 0.000 0.412 410 L N 1.465 122.648 121.223 -0.066 0.000 2.439 410 L HA 0.789 5.127 4.340 -0.004 0.000 0.270 410 L C 0.172 177.066 176.870 0.040 0.000 0.972 410 L CA 0.520 55.362 54.840 0.003 0.000 0.836 410 L CB 2.014 44.105 42.059 0.054 0.000 1.255 410 L HN 1.233 nan 8.230 nan 0.000 0.404 411 T N -0.285 114.311 114.554 0.071 0.000 2.905 411 T HA 0.430 4.778 4.350 -0.004 0.000 0.283 411 T C 1.063 175.800 174.700 0.062 0.000 1.031 411 T CA 0.073 62.222 62.100 0.083 0.000 1.002 411 T CB 1.186 70.137 68.868 0.139 0.000 1.200 411 T HN 0.620 nan 8.240 nan 0.000 0.560 412 S N -0.400 115.335 115.700 0.057 0.000 2.447 412 S HA -0.065 4.403 4.470 -0.004 0.000 0.233 412 S C 0.859 175.437 174.600 -0.037 0.000 1.006 412 S CA 0.937 59.157 58.200 0.034 0.000 0.957 412 S CB -0.432 62.790 63.200 0.037 0.000 0.773 412 S HN 0.734 nan 8.310 nan 0.000 0.507 413 D N -0.842 119.514 120.400 -0.073 0.000 2.455 413 D HA 0.261 4.899 4.640 -0.004 0.000 0.228 413 D C -0.525 175.429 176.300 -0.576 0.000 1.070 413 D CA 0.469 54.286 54.000 -0.305 0.000 0.881 413 D CB 0.391 41.004 40.800 -0.312 0.000 1.087 413 D HN 0.420 nan 8.370 nan 0.000 0.498 414 Y N 0.012 120.252 120.300 -0.100 0.000 2.553 414 Y HA 0.472 5.020 4.550 -0.004 0.000 0.347 414 Y C -0.647 175.080 175.900 -0.290 0.000 1.019 414 Y CA -1.023 56.932 58.100 -0.242 0.000 1.032 414 Y CB 2.623 40.837 38.460 -0.409 0.000 1.284 414 Y HN -0.279 nan 8.280 nan 0.000 0.466 415 L N 3.026 124.133 121.223 -0.192 0.000 2.333 415 L HA 0.604 4.942 4.340 -0.004 0.000 0.280 415 L C -1.842 174.912 176.870 -0.195 0.000 1.004 415 L CA -0.604 54.112 54.840 -0.206 0.000 0.820 415 L CB 0.792 42.633 42.059 -0.364 0.000 1.247 415 L HN 0.597 nan 8.230 nan 0.000 0.416 416 Y N 4.888 125.130 120.300 -0.098 0.000 2.342 416 Y HA 0.549 5.097 4.550 -0.003 0.000 0.334 416 Y C -0.370 175.554 175.900 0.041 0.000 1.067 416 Y CA -0.374 57.678 58.100 -0.079 0.000 1.128 416 Y CB 1.245 39.598 38.460 -0.179 0.000 1.200 416 Y HN 0.539 nan 8.280 nan 0.000 0.464 417 Y N 0.606 120.976 120.300 0.117 0.000 2.625 417 Y HA 0.795 5.342 4.550 -0.004 0.000 0.338 417 Y C -1.887 174.099 175.900 0.143 0.000 1.123 417 Y CA -1.793 56.362 58.100 0.092 0.000 1.046 417 Y CB 1.152 39.638 38.460 0.043 0.000 1.299 417 Y HN 0.291 nan 8.280 nan 0.000 0.464 418 I N 3.060 123.799 120.570 0.281 0.000 2.441 418 I HA 0.615 4.783 4.170 -0.004 0.000 0.295 418 I C -0.205 176.085 176.117 0.288 0.000 0.994 418 I CA -0.314 61.093 61.300 0.179 0.000 1.144 418 I CB 1.551 39.610 38.000 0.097 0.000 1.314 418 I HN 0.912 nan 8.210 nan 0.000 0.445 419 S N 3.893 119.727 115.700 0.224 0.000 2.671 419 S HA 0.483 4.951 4.470 -0.004 0.000 0.277 419 S C -0.377 174.259 174.600 0.061 0.000 1.165 419 S CA -0.779 57.531 58.200 0.184 0.000 0.822 419 S CB 1.967 65.272 63.200 0.175 0.000 1.150 419 S HN 0.577 nan 8.310 nan 0.000 0.479 420 N N -0.491 118.241 118.700 0.054 0.000 2.380 420 N HA 0.147 4.885 4.740 -0.004 0.000 0.255 420 N C 0.510 175.983 175.510 -0.062 0.000 1.158 420 N CA -0.274 52.771 53.050 -0.009 0.000 0.878 420 N CB 0.284 38.761 38.487 -0.017 0.000 1.138 420 N HN 0.829 nan 8.380 nan 0.000 0.509 421 E N -0.102 119.902 120.200 -0.326 0.000 2.106 421 E HA -0.196 4.151 4.350 -0.004 0.000 0.192 421 E C -0.351 176.089 176.600 -0.267 0.000 0.984 421 E CA 0.211 56.179 56.400 -0.720 0.000 0.806 421 E CB -0.088 28.517 29.700 -1.825 0.000 0.750 421 E HN 0.401 nan 8.360 nan 0.000 0.458 422 Y N 2.185 122.375 120.300 -0.182 0.000 2.802 422 Y HA -0.143 4.405 4.550 -0.004 0.000 0.333 422 Y C 0.400 176.257 175.900 -0.072 0.000 1.244 422 Y CA 0.967 59.017 58.100 -0.084 0.000 1.558 422 Y CB 0.076 38.518 38.460 -0.030 0.000 1.233 422 Y HN 0.087 nan 8.280 nan 0.000 0.547 423 K N 3.472 123.571 120.400 -0.501 0.000 3.193 423 K HA -0.259 4.059 4.320 -0.004 0.000 0.294 423 K C 0.878 177.393 176.600 -0.141 0.000 1.185 423 K CA 0.815 56.869 56.287 -0.388 0.000 0.866 423 K CB -1.801 30.416 32.500 -0.473 0.000 1.227 423 K HN 1.280 nan 8.250 nan 0.000 0.467 424 G N 0.673 109.410 108.800 -0.106 0.000 2.225 424 G HA2 -0.333 3.624 3.960 -0.004 0.000 0.267 424 G HA3 -0.333 3.624 3.960 -0.004 0.000 0.267 424 G C 0.029 174.884 174.900 -0.075 0.000 1.024 424 G CA 0.836 45.916 45.100 -0.033 0.000 0.784 424 G HN 0.341 nan 8.290 nan 0.000 0.507 425 M N 0.995 120.492 119.600 -0.173 0.000 2.111 425 M HA 0.228 4.705 4.480 -0.004 0.000 0.351 425 M C -0.814 175.244 176.300 -0.403 0.000 1.214 425 M CA -1.976 53.067 55.300 -0.429 0.000 1.120 425 M CB 1.515 33.947 32.600 -0.279 0.000 1.443 425 M HN -0.047 nan 8.290 nan 0.000 0.429 426 P HA -0.079 nan 4.420 nan 0.000 0.225 426 P C 0.987 178.149 177.300 -0.231 0.000 1.148 426 P CA 1.158 64.086 63.100 -0.287 0.000 0.779 426 P CB 0.149 31.692 31.700 -0.261 0.000 0.780 427 G N -0.616 107.988 108.800 -0.327 0.000 3.141 427 G HA2 0.283 4.241 3.960 -0.004 0.000 0.218 427 G HA3 0.283 4.241 3.960 -0.004 0.000 0.218 427 G C 0.698 175.583 174.900 -0.026 0.000 1.170 427 G CA 0.111 45.141 45.100 -0.118 0.000 0.769 427 G HN 0.431 nan 8.290 nan 0.000 0.546 428 G N -0.209 108.520 108.800 -0.118 0.000 2.471 428 G HA2 0.645 4.603 3.960 -0.004 0.000 0.332 428 G HA3 0.645 4.603 3.960 -0.004 0.000 0.332 428 G C -0.839 173.911 174.900 -0.251 0.000 1.176 428 G CA -0.777 44.270 45.100 -0.089 0.000 0.949 428 G HN 0.082 nan 8.290 nan 0.000 0.488 429 R N 1.057 121.371 120.500 -0.310 0.000 2.533 429 R HA 0.403 4.741 4.340 -0.004 0.000 0.288 429 R C -1.285 174.970 176.300 -0.074 0.000 1.039 429 R CA -0.781 55.130 56.100 -0.315 0.000 0.909 429 R CB 2.017 31.897 30.300 -0.699 0.000 1.195 429 R HN 0.591 nan 8.270 nan 0.000 0.438 430 N N 1.629 120.313 118.700 -0.027 0.000 2.321 430 N HA 0.358 5.096 4.740 -0.004 0.000 0.290 430 N C -1.197 174.188 175.510 -0.209 0.000 1.212 430 N CA -0.851 52.108 53.050 -0.151 0.000 0.767 430 N CB 2.705 40.980 38.487 -0.353 0.000 1.494 430 N HN 0.250 nan 8.380 nan 0.000 0.479 431 L N 1.995 122.947 121.223 -0.452 0.000 2.292 431 L HA 0.467 4.805 4.340 -0.004 0.000 0.284 431 L C -1.411 175.076 176.870 -0.639 0.000 1.065 431 L CA 0.030 54.634 54.840 -0.393 0.000 0.806 431 L CB -0.076 41.746 42.059 -0.394 0.000 1.175 431 L HN 0.408 nan 8.230 nan 0.000 0.431 432 Y N 3.488 123.443 120.300 -0.576 0.000 2.570 432 Y HA 0.598 5.146 4.550 -0.004 0.000 0.345 432 Y C -0.397 175.154 175.900 -0.583 0.000 1.014 432 Y CA -0.867 56.830 58.100 -0.672 0.000 1.063 432 Y CB 1.736 39.569 38.460 -1.046 0.000 1.272 432 Y HN 0.503 nan 8.280 nan 0.000 0.477 433 K N 2.513 122.748 120.400 -0.275 0.000 2.471 433 K HA 0.664 4.982 4.320 -0.004 0.000 0.252 433 K C -1.962 174.573 176.600 -0.109 0.000 0.938 433 K CA -0.586 55.472 56.287 -0.381 0.000 0.796 433 K CB 1.705 33.860 32.500 -0.575 0.000 1.161 433 K HN 0.773 nan 8.250 nan 0.000 0.425 434 I N 2.900 123.471 120.570 0.001 0.000 2.474 434 I HA 0.240 4.408 4.170 -0.004 0.000 0.294 434 I C -0.766 175.450 176.117 0.165 0.000 1.005 434 I CA -0.617 60.767 61.300 0.140 0.000 1.113 434 I CB 1.812 39.924 38.000 0.186 0.000 1.289 434 I HN 0.722 nan 8.210 nan 0.000 0.436 435 Q N 6.256 126.149 119.800 0.156 0.000 2.293 435 Q HA 0.236 4.573 4.340 -0.004 0.000 0.263 435 Q C 0.201 176.147 176.000 -0.090 0.000 1.002 435 Q CA -0.281 55.467 55.803 -0.092 0.000 0.910 435 Q CB 1.178 29.883 28.738 -0.056 0.000 1.185 435 Q HN 0.842 nan 8.270 nan 0.000 0.401 436 L N 2.516 123.616 121.223 -0.205 0.000 2.362 436 L HA -0.131 4.207 4.340 -0.004 0.000 0.219 436 L C 1.995 178.735 176.870 -0.217 0.000 1.134 436 L CA 1.107 55.889 54.840 -0.096 0.000 0.807 436 L CB -0.281 41.701 42.059 -0.129 0.000 0.927 436 L HN 0.657 nan 8.230 nan 0.000 0.447 437 S N -2.923 112.620 115.700 -0.261 0.000 2.535 437 S HA 0.017 4.485 4.470 -0.004 0.000 0.214 437 S C 0.467 174.885 174.600 -0.303 0.000 0.980 437 S CA -0.223 57.815 58.200 -0.270 0.000 0.907 437 S CB 0.237 63.318 63.200 -0.199 0.000 0.790 437 S HN 0.312 nan 8.310 nan 0.000 0.510 438 D N 0.049 120.281 120.400 -0.280 0.000 2.351 438 D HA 0.215 4.853 4.640 -0.004 0.000 0.235 438 D C -0.468 175.793 176.300 -0.065 0.000 1.331 438 D CA -0.514 53.364 54.000 -0.205 0.000 0.959 438 D CB 0.106 40.845 40.800 -0.102 0.000 1.432 438 D HN -0.020 nan 8.370 nan 0.000 0.544 439 Y N 0.749 121.032 120.300 -0.028 0.000 2.556 439 Y HA -0.124 4.424 4.550 -0.004 0.000 0.290 439 Y C 2.569 178.478 175.900 0.016 0.000 1.149 439 Y CA 1.514 59.610 58.100 -0.007 0.000 1.329 439 Y CB -0.919 37.536 38.460 -0.007 0.000 0.975 439 Y HN 0.408 nan 8.280 nan 0.000 0.561 440 T N -3.049 111.588 114.554 0.138 0.000 3.113 440 T HA 0.005 4.353 4.350 -0.004 0.000 0.256 440 T C 0.665 175.417 174.700 0.088 0.000 1.131 440 T CA 0.138 62.297 62.100 0.098 0.000 1.074 440 T CB -0.049 68.852 68.868 0.055 0.000 0.944 440 T HN -0.126 nan 8.240 nan 0.000 0.516 441 K N 2.419 122.874 120.400 0.092 0.000 2.244 441 K HA 0.516 4.834 4.320 -0.004 0.000 0.263 441 K C -1.189 175.480 176.600 0.115 0.000 1.103 441 K CA -0.313 56.026 56.287 0.087 0.000 0.966 441 K CB 1.327 33.871 32.500 0.074 0.000 1.429 441 K HN 0.162 nan 8.250 nan 0.000 0.434 442 V N 2.478 122.455 119.914 0.106 0.000 2.444 442 V HA 0.326 4.444 4.120 -0.004 0.000 0.294 442 V C -0.100 176.042 176.094 0.080 0.000 1.022 442 V CA -0.668 61.703 62.300 0.119 0.000 0.850 442 V CB 2.026 33.944 31.823 0.159 0.000 0.992 442 V HN 0.556 nan 8.190 nan 0.000 0.426 443 T N 3.495 118.064 114.554 0.024 0.000 2.807 443 T HA 0.277 4.624 4.350 -0.004 0.000 0.279 443 T C -0.425 174.193 174.700 -0.137 0.000 0.993 443 T CA -0.270 61.800 62.100 -0.050 0.000 0.970 443 T CB 1.350 70.154 68.868 -0.106 0.000 0.950 443 T HN 0.771 nan 8.240 nan 0.000 0.441 444 C N 5.112 124.270 119.300 -0.237 0.000 2.394 444 C HA 0.448 4.906 4.460 -0.004 0.000 0.362 444 C C 1.574 176.245 174.990 -0.532 0.000 1.268 444 C CA -0.588 58.031 59.018 -0.665 0.000 1.828 444 C CB -1.726 25.550 27.740 -0.772 0.000 2.442 444 C HN 0.985 nan 8.230 nan 0.000 0.549 445 L N 4.728 125.601 121.223 -0.584 0.000 2.567 445 L HA 0.108 4.446 4.340 -0.004 0.000 0.225 445 L C 1.995 178.546 176.870 -0.532 0.000 1.119 445 L CA 0.755 55.331 54.840 -0.440 0.000 0.871 445 L CB -0.218 41.627 42.059 -0.356 0.000 1.036 445 L HN 0.896 nan 8.230 nan 0.000 0.459 446 S N -3.542 111.730 115.700 -0.714 0.000 2.628 446 S HA -0.006 4.462 4.470 -0.004 0.000 0.246 446 S C 1.778 175.971 174.600 -0.678 0.000 1.062 446 S CA -0.091 57.582 58.200 -0.879 0.000 1.028 446 S CB -0.293 61.990 63.200 -1.529 0.000 0.985 446 S HN 0.278 nan 8.310 nan 0.000 0.551 447 C N 2.237 121.120 119.300 -0.695 0.000 2.385 447 C HA -0.040 4.418 4.460 -0.004 0.000 0.275 447 C C 2.379 177.069 174.990 -0.499 0.000 1.207 447 C CA 1.569 60.101 59.018 -0.811 0.000 1.760 447 C CB -1.094 25.982 27.740 -1.106 0.000 2.051 447 C HN 0.608 nan 8.230 nan 0.000 0.467 448 E N -0.052 119.953 120.200 -0.326 0.000 2.463 448 E HA 0.198 4.546 4.350 -0.004 0.000 0.193 448 E C 1.810 178.353 176.600 -0.095 0.000 1.041 448 E CA -0.091 56.219 56.400 -0.149 0.000 0.879 448 E CB -0.253 29.383 29.700 -0.107 0.000 0.997 448 E HN 0.560 nan 8.360 nan 0.000 0.478 449 L N 0.205 121.362 121.223 -0.111 0.000 2.012 449 L HA -0.091 4.246 4.340 -0.004 0.000 0.210 449 L C 0.895 177.770 176.870 0.007 0.000 1.073 449 L CA 0.971 55.785 54.840 -0.042 0.000 0.748 449 L CB 0.021 42.062 42.059 -0.030 0.000 0.891 449 L HN 0.140 nan 8.230 nan 0.000 0.431 450 N N -1.524 117.196 118.700 0.033 0.000 3.111 450 N HA 0.063 4.801 4.740 -0.004 0.000 0.200 450 N C -2.082 173.449 175.510 0.035 0.000 1.464 450 N CA -0.856 52.209 53.050 0.026 0.000 0.758 450 N CB 0.688 39.186 38.487 0.018 0.000 1.548 450 N HN -0.184 nan 8.380 nan 0.000 0.595 451 P HA -0.161 nan 4.420 nan 0.000 0.217 451 P C 0.607 177.951 177.300 0.072 0.000 1.148 451 P CA 1.364 64.511 63.100 0.079 0.000 0.828 451 P CB 0.642 32.409 31.700 0.113 0.000 0.783 452 E N -0.439 119.786 120.200 0.040 0.000 2.122 452 E HA -0.080 4.268 4.350 -0.004 0.000 0.190 452 E C 2.386 178.987 176.600 0.002 0.000 0.977 452 E CA 0.448 56.864 56.400 0.027 0.000 0.820 452 E CB -0.169 29.541 29.700 0.017 0.000 0.770 452 E HN 0.235 nan 8.360 nan 0.000 0.462 453 R N 0.062 120.550 120.500 -0.019 0.000 2.189 453 R HA 0.089 4.427 4.340 -0.004 0.000 0.203 453 R C -0.159 176.086 176.300 -0.092 0.000 1.012 453 R CA 0.415 56.480 56.100 -0.059 0.000 1.015 453 R CB 0.476 30.733 30.300 -0.072 0.000 0.938 453 R HN 0.040 nan 8.270 nan 0.000 0.472 454 c N 0.911 119.462 118.600 -0.083 0.000 2.344 454 c HA 0.417 4.985 4.570 -0.004 0.000 0.326 454 c C -0.056 173.953 174.090 -0.136 0.000 1.201 454 c CA -0.659 55.548 56.329 -0.203 0.000 1.410 454 c CB 1.398 43.759 42.510 -0.248 0.000 2.070 454 c HN 0.528 nan 8.230 nan 0.000 0.445 455 Q N 0.367 120.079 119.800 -0.146 0.000 2.081 455 Q HA 0.197 4.535 4.340 -0.004 0.000 0.220 455 Q C -0.876 175.125 176.000 0.001 0.000 0.775 455 Q CA 0.095 55.898 55.803 0.001 0.000 0.983 455 Q CB 1.225 30.012 28.738 0.081 0.000 1.188 455 Q HN 0.785 nan 8.270 nan 0.000 0.458 456 Y N 0.603 120.737 120.300 -0.277 0.000 2.488 456 Y HA 0.375 4.922 4.550 -0.004 0.000 0.330 456 Y C -1.517 174.204 175.900 -0.299 0.000 1.013 456 Y CA -1.139 56.847 58.100 -0.190 0.000 1.304 456 Y CB 0.546 38.923 38.460 -0.138 0.000 1.098 456 Y HN -0.072 nan 8.280 nan 0.000 0.498 457 Y N 1.818 122.070 120.300 -0.080 0.000 2.419 457 Y HA 0.640 5.188 4.550 -0.004 0.000 0.328 457 Y C 0.355 176.221 175.900 -0.057 0.000 1.162 457 Y CA -0.428 57.627 58.100 -0.074 0.000 1.174 457 Y CB 2.191 40.563 38.460 -0.147 0.000 1.228 457 Y HN 0.406 nan 8.280 nan 0.000 0.473 458 S N 1.026 116.827 115.700 0.169 0.000 2.569 458 S HA 0.801 5.269 4.470 -0.004 0.000 0.280 458 S C -1.880 172.782 174.600 0.103 0.000 1.111 458 S CA -0.605 57.669 58.200 0.123 0.000 0.887 458 S CB 1.459 64.740 63.200 0.133 0.000 1.095 458 S HN 0.539 nan 8.310 nan 0.000 0.476 459 V N 2.186 122.151 119.914 0.085 0.000 3.007 459 V HA 0.901 5.019 4.120 -0.004 0.000 0.311 459 V C -1.017 175.131 176.094 0.090 0.000 1.120 459 V CA -0.305 62.010 62.300 0.024 0.000 0.980 459 V CB 2.370 34.120 31.823 -0.121 0.000 1.033 459 V HN 0.880 nan 8.190 nan 0.000 0.429 460 S N 4.598 120.340 115.700 0.071 0.000 2.789 460 S HA 0.641 5.109 4.470 -0.004 0.000 0.286 460 S C -1.187 173.556 174.600 0.239 0.000 1.153 460 S CA -0.401 57.946 58.200 0.246 0.000 1.084 460 S CB 0.329 63.730 63.200 0.335 0.000 1.036 460 S HN 0.497 nan 8.310 nan 0.000 0.484 461 F N 3.025 123.035 119.950 0.100 0.000 2.371 461 F HA 0.455 4.980 4.527 -0.004 0.000 0.329 461 F C 1.449 176.865 175.800 -0.640 0.000 1.107 461 F CA -0.222 57.680 58.000 -0.162 0.000 1.137 461 F CB 1.310 40.179 39.000 -0.219 0.000 1.214 461 F HN 0.622 nan 8.300 nan 0.000 0.536 462 S N 1.847 116.973 115.700 -0.957 0.000 2.617 462 S HA 0.174 4.642 4.470 -0.004 0.000 0.259 462 S C 1.263 175.580 174.600 -0.472 0.000 1.301 462 S CA -0.829 56.471 58.200 -1.500 0.000 0.984 462 S CB 0.790 63.186 63.200 -1.340 0.000 0.954 462 S HN 0.547 nan 8.310 nan 0.000 0.572 463 K N 0.823 121.073 120.400 -0.249 0.000 2.071 463 K HA -0.146 4.172 4.320 -0.004 0.000 0.217 463 K C 1.028 177.584 176.600 -0.072 0.000 1.054 463 K CA 1.785 58.026 56.287 -0.076 0.000 0.937 463 K CB -0.485 31.998 32.500 -0.029 0.000 0.719 463 K HN 0.678 nan 8.250 nan 0.000 0.454 464 E N -1.054 119.085 120.200 -0.101 0.000 2.569 464 E HA 0.235 4.583 4.350 -0.004 0.000 0.205 464 E C -0.008 176.535 176.600 -0.094 0.000 1.006 464 E CA 0.174 56.533 56.400 -0.068 0.000 0.985 464 E CB 0.580 30.255 29.700 -0.041 0.000 1.060 464 E HN 0.263 nan 8.360 nan 0.000 0.460 465 A N 1.214 123.958 122.820 -0.127 0.000 2.905 465 A HA -0.314 4.003 4.320 -0.004 0.000 0.260 465 A C 1.521 179.072 177.584 -0.055 0.000 1.398 465 A CA 1.654 53.633 52.037 -0.097 0.000 0.840 465 A CB -2.099 16.708 19.000 -0.321 0.000 1.059 465 A HN 0.286 nan 8.150 nan 0.000 0.647 466 K N -1.731 118.581 120.400 -0.147 0.000 2.155 466 K HA 0.098 4.416 4.320 -0.004 0.000 0.203 466 K C 0.164 176.427 176.600 -0.563 0.000 1.052 466 K CA 1.436 57.535 56.287 -0.313 0.000 0.948 466 K CB -0.012 32.297 32.500 -0.318 0.000 0.728 466 K HN 0.671 nan 8.250 nan 0.000 0.448 467 Y N -1.005 119.245 120.300 -0.084 0.000 2.605 467 Y HA 0.335 4.883 4.550 -0.003 0.000 0.343 467 Y C -1.019 174.843 175.900 -0.063 0.000 1.036 467 Y CA -1.320 56.736 58.100 -0.072 0.000 1.065 467 Y CB 1.713 40.148 38.460 -0.041 0.000 1.288 467 Y HN -0.029 nan 8.280 nan 0.000 0.481 468 Y N -1.114 119.195 120.300 0.013 0.000 2.513 468 Y HA 0.522 5.069 4.550 -0.004 0.000 0.340 468 Y C -1.225 174.693 175.900 0.030 0.000 1.055 468 Y CA -1.486 56.472 58.100 -0.235 0.000 1.020 468 Y CB 1.470 39.301 38.460 -1.048 0.000 1.301 468 Y HN 0.591 nan 8.280 nan 0.000 0.453 469 Q N 3.947 123.874 119.800 0.211 0.000 2.314 469 Q HA 0.533 4.871 4.340 -0.004 0.000 0.259 469 Q C -1.666 174.411 176.000 0.128 0.000 0.951 469 Q CA -0.637 55.250 55.803 0.141 0.000 0.909 469 Q CB 1.180 29.975 28.738 0.095 0.000 1.236 469 Q HN 0.954 nan 8.270 nan 0.000 0.444 470 L N 4.421 125.733 121.223 0.149 0.000 2.307 470 L HA 0.510 4.848 4.340 -0.004 0.000 0.282 470 L C -0.163 176.761 176.870 0.091 0.000 1.051 470 L CA -0.511 54.401 54.840 0.120 0.000 0.804 470 L CB 1.221 43.328 42.059 0.081 0.000 1.197 470 L HN 0.606 nan 8.230 nan 0.000 0.431 471 R N 2.457 122.994 120.500 0.063 0.000 2.358 471 R HA 0.283 4.621 4.340 -0.004 0.000 0.309 471 R C -0.972 175.198 176.300 -0.216 0.000 1.026 471 R CA -0.501 55.480 56.100 -0.197 0.000 0.909 471 R CB 1.494 31.735 30.300 -0.098 0.000 1.153 471 R HN 0.585 nan 8.270 nan 0.000 0.515 472 c N 2.770 121.134 118.600 -0.394 0.000 2.415 472 c HA 0.330 4.898 4.570 -0.004 0.000 0.369 472 c C 1.574 175.427 174.090 -0.396 0.000 1.279 472 c CA -0.222 55.773 56.329 -0.557 0.000 1.886 472 c CB 0.098 42.247 42.510 -0.601 0.000 2.468 472 c HN 0.967 nan 8.230 nan 0.000 0.553 473 S N 3.804 119.351 115.700 -0.255 0.000 2.629 473 S HA 0.593 5.061 4.470 -0.004 0.000 0.236 473 S C 0.409 174.950 174.600 -0.099 0.000 1.010 473 S CA 0.265 58.372 58.200 -0.155 0.000 0.981 473 S CB 0.033 63.164 63.200 -0.114 0.000 0.919 473 S HN 1.873 nan 8.310 nan 0.000 0.514 474 G N 1.653 110.383 108.800 -0.117 0.000 2.316 474 G HA2 0.405 4.362 3.960 -0.004 0.000 0.296 474 G HA3 0.405 4.362 3.960 -0.004 0.000 0.296 474 G C -3.008 171.858 174.900 -0.057 0.000 1.399 474 G CA -0.499 44.578 45.100 -0.039 0.000 0.833 474 G HN -0.128 nan 8.290 nan 0.000 0.565 475 P HA 0.126 nan 4.420 nan 0.000 0.229 475 P C 1.265 178.592 177.300 0.046 0.000 1.160 475 P CA 1.276 64.403 63.100 0.045 0.000 0.777 475 P CB 0.434 32.161 31.700 0.044 0.000 0.814 476 G N 0.425 109.178 108.800 -0.079 0.000 2.510 476 G HA2 0.406 4.363 3.960 -0.004 0.000 0.280 476 G HA3 0.406 4.363 3.960 -0.004 0.000 0.280 476 G C -0.283 174.351 174.900 -0.444 0.000 1.386 476 G CA -0.752 44.218 45.100 -0.216 0.000 1.047 476 G HN 0.037 nan 8.290 nan 0.000 0.527 477 L N 1.199 122.085 121.223 -0.562 0.000 2.456 477 L HA 0.161 4.499 4.340 -0.004 0.000 0.272 477 L C -1.879 174.812 176.870 -0.297 0.000 1.189 477 L CA -1.258 53.217 54.840 -0.609 0.000 0.846 477 L CB 0.691 42.489 42.059 -0.435 0.000 1.111 477 L HN 0.229 nan 8.230 nan 0.000 0.475 478 P HA 0.013 nan 4.420 nan 0.000 0.265 478 P C -0.949 176.284 177.300 -0.112 0.000 1.187 478 P CA 0.061 63.075 63.100 -0.142 0.000 0.766 478 P CB 0.560 32.266 31.700 0.009 0.000 0.820 479 L N 5.115 126.190 121.223 -0.246 0.000 2.409 479 L HA 0.501 4.839 4.340 -0.004 0.000 0.272 479 L C -1.764 174.953 176.870 -0.254 0.000 0.980 479 L CA -0.665 54.097 54.840 -0.130 0.000 0.826 479 L CB 1.056 43.050 42.059 -0.109 0.000 1.268 479 L HN 0.223 nan 8.230 nan 0.000 0.407 480 Y N 2.604 122.859 120.300 -0.075 0.000 2.341 480 Y HA 0.760 5.308 4.550 -0.003 0.000 0.338 480 Y C 0.387 176.177 175.900 -0.183 0.000 0.965 480 Y CA -0.529 57.507 58.100 -0.106 0.000 1.108 480 Y CB 2.179 40.553 38.460 -0.144 0.000 1.180 480 Y HN 0.678 nan 8.280 nan 0.000 0.458 481 T N 0.719 115.267 114.554 -0.010 0.000 2.896 481 T HA 0.709 5.056 4.350 -0.004 0.000 0.297 481 T C -1.550 173.045 174.700 -0.176 0.000 1.108 481 T CA -0.870 61.154 62.100 -0.126 0.000 1.004 481 T CB 1.940 70.781 68.868 -0.045 0.000 1.159 481 T HN 0.392 nan 8.240 nan 0.000 0.499 482 L N 1.909 122.902 121.223 -0.383 0.000 2.334 482 L HA 0.633 4.971 4.340 -0.004 0.000 0.276 482 L C -0.713 175.781 176.870 -0.627 0.000 1.014 482 L CA -0.292 54.355 54.840 -0.321 0.000 0.815 482 L CB 1.142 43.065 42.059 -0.227 0.000 1.268 482 L HN 0.817 nan 8.230 nan 0.000 0.428 483 H N 1.333 120.178 119.070 -0.376 0.000 2.895 483 H HA 0.512 5.066 4.556 -0.004 0.000 0.373 483 H C -0.969 174.128 175.328 -0.386 0.000 1.174 483 H CA -0.843 54.881 56.048 -0.540 0.000 1.144 483 H CB 2.056 31.127 29.762 -1.153 0.000 1.793 483 H HN 0.568 nan 8.280 nan 0.000 0.551 484 S N 0.532 116.176 115.700 -0.094 0.000 2.442 484 S HA 0.196 4.664 4.470 -0.004 0.000 0.297 484 S C 0.758 175.337 174.600 -0.036 0.000 1.131 484 S CA -0.766 57.404 58.200 -0.051 0.000 1.092 484 S CB 1.701 64.904 63.200 0.006 0.000 0.998 484 S HN 0.564 nan 8.310 nan 0.000 0.478 485 S N 2.020 117.722 115.700 0.002 0.000 2.428 485 S HA -0.097 4.371 4.470 -0.004 0.000 0.230 485 S C 1.860 176.500 174.600 0.067 0.000 1.014 485 S CA 0.753 59.064 58.200 0.184 0.000 0.957 485 S CB -0.350 62.952 63.200 0.170 0.000 0.784 485 S HN 0.675 nan 8.310 nan 0.000 0.499 486 V N 3.791 123.690 119.914 -0.025 0.000 2.469 486 V HA -0.189 3.929 4.120 -0.004 0.000 0.251 486 V C 1.179 177.278 176.094 0.009 0.000 1.064 486 V CA 2.222 64.517 62.300 -0.009 0.000 1.066 486 V CB -0.517 31.284 31.823 -0.037 0.000 0.667 486 V HN 0.847 nan 8.190 nan 0.000 0.461 487 N N -3.258 115.448 118.700 0.009 0.000 2.167 487 N HA 0.067 4.805 4.740 -0.004 0.000 0.234 487 N C -0.248 175.272 175.510 0.016 0.000 1.312 487 N CA 0.296 53.352 53.050 0.009 0.000 0.861 487 N CB 0.595 39.087 38.487 0.008 0.000 1.217 487 N HN 0.278 nan 8.380 nan 0.000 0.504 488 D N 0.856 121.285 120.400 0.050 0.000 2.882 488 D HA -0.126 4.512 4.640 -0.004 0.000 0.229 488 D C -0.547 175.788 176.300 0.058 0.000 1.167 488 D CA 1.187 55.240 54.000 0.088 0.000 0.759 488 D CB -0.396 40.434 40.800 0.050 0.000 1.088 488 D HN 0.415 nan 8.370 nan 0.000 0.425 489 K N 0.259 120.677 120.400 0.031 0.000 2.118 489 K HA 0.499 4.817 4.320 -0.004 0.000 0.267 489 K C 0.893 177.492 176.600 -0.003 0.000 0.991 489 K CA -0.449 55.849 56.287 0.018 0.000 0.916 489 K CB 1.212 33.710 32.500 -0.004 0.000 1.041 489 K HN 0.090 nan 8.250 nan 0.000 0.455 490 G N 2.353 111.136 108.800 -0.028 0.000 2.364 490 G HA2 0.220 4.178 3.960 -0.004 0.000 0.267 490 G HA3 0.220 4.178 3.960 -0.004 0.000 0.267 490 G C 0.944 175.697 174.900 -0.245 0.000 1.233 490 G CA -0.373 44.567 45.100 -0.266 0.000 0.885 490 G HN 0.510 nan 8.290 nan 0.000 0.490 491 L N 1.836 122.866 121.223 -0.321 0.000 2.102 491 L HA 0.289 4.627 4.340 -0.004 0.000 0.202 491 L C 1.620 178.381 176.870 -0.181 0.000 1.076 491 L CA 0.858 55.585 54.840 -0.188 0.000 0.761 491 L CB -0.207 41.761 42.059 -0.152 0.000 0.921 491 L HN 0.795 nan 8.230 nan 0.000 0.444 492 R N -2.216 118.132 120.500 -0.254 0.000 3.012 492 R HA 0.295 4.632 4.340 -0.004 0.000 0.287 492 R C -1.745 174.410 176.300 -0.242 0.000 0.990 492 R CA -0.903 55.078 56.100 -0.199 0.000 0.839 492 R CB 1.056 31.272 30.300 -0.140 0.000 1.317 492 R HN -0.278 nan 8.270 nan 0.000 0.518 493 V N 2.786 122.588 119.914 -0.186 0.000 2.461 493 V HA 0.192 4.310 4.120 -0.004 0.000 0.275 493 V C 1.311 177.256 176.094 -0.248 0.000 1.047 493 V CA -0.348 61.843 62.300 -0.181 0.000 0.955 493 V CB 1.157 32.913 31.823 -0.111 0.000 0.988 493 V HN 0.623 nan 8.190 nan 0.000 0.471 494 L N 2.643 123.648 121.223 -0.365 0.000 2.253 494 L HA 0.302 4.640 4.340 -0.004 0.000 0.205 494 L C 0.691 177.287 176.870 -0.457 0.000 1.078 494 L CA 0.652 55.080 54.840 -0.687 0.000 0.805 494 L CB 0.221 41.476 42.059 -1.340 0.000 0.963 494 L HN 0.682 nan 8.230 nan 0.000 0.459 495 E N -0.111 119.969 120.200 -0.200 0.000 2.343 495 E HA 0.095 4.443 4.350 -0.004 0.000 0.288 495 E C -1.173 175.472 176.600 0.075 0.000 0.907 495 E CA -0.367 56.022 56.400 -0.018 0.000 0.792 495 E CB 1.138 30.841 29.700 0.005 0.000 1.275 495 E HN 0.167 nan 8.360 nan 0.000 0.402 496 D N 2.884 123.306 120.400 0.037 0.000 2.433 496 D HA 0.159 4.797 4.640 -0.004 0.000 0.211 496 D C -0.200 176.111 176.300 0.017 0.000 1.114 496 D CA -0.209 53.804 54.000 0.022 0.000 0.837 496 D CB 0.042 40.834 40.800 -0.012 0.000 0.984 496 D HN 0.435 nan 8.370 nan 0.000 0.505 497 N N 0.275 119.001 118.700 0.042 0.000 2.725 497 N HA -0.221 4.517 4.740 -0.004 0.000 0.249 497 N C 0.986 176.501 175.510 0.008 0.000 1.103 497 N CA 0.912 53.981 53.050 0.033 0.000 0.707 497 N CB -1.359 37.139 38.487 0.019 0.000 1.043 497 N HN 0.482 nan 8.380 nan 0.000 0.553 498 S N -1.035 114.671 115.700 0.009 0.000 2.382 498 S HA -0.079 4.389 4.470 -0.004 0.000 0.228 498 S C 2.117 176.728 174.600 0.019 0.000 1.027 498 S CA 1.094 59.297 58.200 0.004 0.000 0.991 498 S CB -0.196 63.008 63.200 0.005 0.000 0.823 498 S HN 0.510 nan 8.310 nan 0.000 0.469 499 A N 2.161 125.002 122.820 0.035 0.000 1.883 499 A HA 0.012 4.330 4.320 -0.004 0.000 0.217 499 A C 2.267 179.891 177.584 0.066 0.000 1.186 499 A CA 1.731 53.798 52.037 0.050 0.000 0.624 499 A CB -0.996 18.039 19.000 0.058 0.000 0.822 499 A HN 0.555 nan 8.150 nan 0.000 0.444 500 L N 0.299 121.564 121.223 0.069 0.000 2.046 500 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 500 L C 1.909 178.804 176.870 0.042 0.000 1.077 500 L CA 2.832 57.726 54.840 0.090 0.000 0.747 500 L CB -0.737 41.375 42.059 0.089 0.000 0.896 500 L HN 0.507 nan 8.230 nan 0.000 0.432 501 D N -0.866 119.533 120.400 -0.001 0.000 2.149 501 D HA -0.241 4.397 4.640 -0.004 0.000 0.198 501 D C 2.151 178.449 176.300 -0.003 0.000 0.990 501 D CA 0.996 54.977 54.000 -0.031 0.000 0.839 501 D CB -0.034 40.738 40.800 -0.046 0.000 0.948 501 D HN 0.077 nan 8.370 nan 0.000 0.460 502 K N 0.123 120.535 120.400 0.021 0.000 2.026 502 K HA -0.110 4.208 4.320 -0.004 0.000 0.208 502 K C 2.115 178.747 176.600 0.053 0.000 1.048 502 K CA 1.149 57.456 56.287 0.034 0.000 0.929 502 K CB -0.405 32.120 32.500 0.042 0.000 0.713 502 K HN 0.331 nan 8.250 nan 0.000 0.439 503 M N 0.325 119.978 119.600 0.088 0.000 2.086 503 M HA -0.130 4.348 4.480 -0.004 0.000 0.261 503 M C 2.172 178.507 176.300 0.058 0.000 1.067 503 M CA 1.336 56.727 55.300 0.151 0.000 1.116 503 M CB -0.302 32.483 32.600 0.308 0.000 1.348 503 M HN 0.007 nan 8.290 nan 0.000 0.407 504 L N -0.068 121.129 121.223 -0.043 0.000 2.450 504 L HA -0.197 4.141 4.340 -0.004 0.000 0.224 504 L C 2.163 178.991 176.870 -0.071 0.000 1.149 504 L CA 0.911 55.663 54.840 -0.147 0.000 0.816 504 L CB -0.613 41.370 42.059 -0.127 0.000 0.932 504 L HN 0.449 nan 8.230 nan 0.000 0.449 505 Q N -0.302 119.486 119.800 -0.020 0.000 2.369 505 Q HA -0.104 4.234 4.340 -0.004 0.000 0.206 505 Q C 0.957 176.967 176.000 0.015 0.000 0.963 505 Q CA 0.758 56.559 55.803 -0.003 0.000 0.894 505 Q CB 0.051 28.794 28.738 0.008 0.000 0.965 505 Q HN 0.463 nan 8.270 nan 0.000 0.475 506 N N -0.489 118.229 118.700 0.030 0.000 2.268 506 N HA 0.070 4.807 4.740 -0.004 0.000 0.204 506 N C -0.873 174.673 175.510 0.060 0.000 1.124 506 N CA 0.032 53.116 53.050 0.058 0.000 0.838 506 N CB 1.305 39.846 38.487 0.090 0.000 0.994 506 N HN -0.062 nan 8.380 nan 0.000 0.489 507 V N 0.354 120.277 119.914 0.016 0.000 2.735 507 V HA 0.296 4.414 4.120 -0.004 0.000 0.310 507 V C -1.084 175.011 176.094 0.000 0.000 1.061 507 V CA -0.804 61.507 62.300 0.018 0.000 0.913 507 V CB 1.991 33.781 31.823 -0.054 0.000 1.005 507 V HN 0.064 nan 8.190 nan 0.000 0.428 508 Q N 6.314 126.129 119.800 0.024 0.000 2.534 508 Q HA 0.316 4.653 4.340 -0.004 0.000 0.223 508 Q C -0.448 175.525 176.000 -0.046 0.000 1.239 508 Q CA -0.198 55.593 55.803 -0.022 0.000 0.936 508 Q CB 0.547 29.287 28.738 0.004 0.000 1.457 508 Q HN 0.578 nan 8.270 nan 0.000 0.547 509 M N 3.635 123.189 119.600 -0.076 0.000 2.255 509 M HA 0.346 4.824 4.480 -0.004 0.000 0.336 509 M C -1.921 174.306 176.300 -0.122 0.000 1.135 509 M CA -2.415 52.828 55.300 -0.095 0.000 1.145 509 M CB -0.038 32.508 32.600 -0.089 0.000 1.473 509 M HN 0.310 nan 8.290 nan 0.000 0.462 510 P HA 0.291 nan 4.420 nan 0.000 0.279 510 P C -0.906 176.306 177.300 -0.147 0.000 1.276 510 P CA -0.386 62.618 63.100 -0.160 0.000 0.801 510 P CB 0.707 32.300 31.700 -0.180 0.000 1.127 511 S N -1.022 114.577 115.700 -0.167 0.000 2.648 511 S HA 0.620 5.087 4.470 -0.004 0.000 0.305 511 S C -0.558 173.947 174.600 -0.158 0.000 1.094 511 S CA -0.797 57.322 58.200 -0.135 0.000 0.983 511 S CB 1.846 64.972 63.200 -0.124 0.000 1.101 511 S HN 0.517 nan 8.310 nan 0.000 0.514 512 K N 0.609 120.944 120.400 -0.108 0.000 2.345 512 K HA 0.449 4.767 4.320 -0.004 0.000 0.255 512 K C -1.258 175.297 176.600 -0.076 0.000 0.934 512 K CA -0.575 55.653 56.287 -0.099 0.000 0.801 512 K CB 1.399 33.862 32.500 -0.062 0.000 1.137 512 K HN 0.745 nan 8.250 nan 0.000 0.424 513 K N 4.789 125.138 120.400 -0.085 0.000 2.244 513 K HA 0.384 4.702 4.320 -0.004 0.000 0.260 513 K C -1.724 174.850 176.600 -0.043 0.000 0.951 513 K CA -0.879 55.372 56.287 -0.060 0.000 0.826 513 K CB 1.143 33.595 32.500 -0.081 0.000 1.108 513 K HN 0.464 nan 8.250 nan 0.000 0.433 514 L N 3.768 124.980 121.223 -0.019 0.000 2.376 514 L HA 0.538 4.875 4.340 -0.004 0.000 0.275 514 L C -1.354 175.522 176.870 0.009 0.000 0.987 514 L CA 0.122 54.975 54.840 0.023 0.000 0.828 514 L CB 1.536 43.685 42.059 0.151 0.000 1.249 514 L HN 0.875 nan 8.230 nan 0.000 0.409 515 D N 2.655 122.879 120.400 -0.293 0.000 2.946 515 D HA 0.571 5.209 4.640 -0.004 0.000 0.337 515 D C -1.591 174.361 176.300 -0.580 0.000 1.332 515 D CA 0.078 53.833 54.000 -0.409 0.000 0.935 515 D CB 1.460 42.009 40.800 -0.418 0.000 1.440 515 D HN 0.225 nan 8.370 nan 0.000 0.540 516 F N -0.342 119.286 119.950 -0.538 0.000 2.662 516 F HA 0.719 5.244 4.527 -0.004 0.000 0.312 516 F C -1.023 174.843 175.800 0.109 0.000 1.113 516 F CA -1.154 56.656 58.000 -0.317 0.000 0.951 516 F CB 0.847 39.212 39.000 -1.059 0.000 1.344 516 F HN 0.298 nan 8.300 nan 0.000 0.462 517 I N -0.002 120.814 120.570 0.409 0.000 2.785 517 I HA 0.699 4.867 4.170 -0.004 0.000 0.302 517 I C -1.425 174.917 176.117 0.376 0.000 1.069 517 I CA -1.200 60.268 61.300 0.280 0.000 1.045 517 I CB 2.452 40.587 38.000 0.226 0.000 1.236 517 I HN 0.646 nan 8.210 nan 0.000 0.429 518 I N 5.327 126.054 120.570 0.261 0.000 2.321 518 I HA 0.414 4.582 4.170 -0.004 0.000 0.291 518 I C -0.760 175.489 176.117 0.220 0.000 0.998 518 I CA -0.477 60.968 61.300 0.242 0.000 1.227 518 I CB 1.415 39.521 38.000 0.177 0.000 1.368 518 I HN 0.373 nan 8.210 nan 0.000 0.466 519 L N 6.540 127.949 121.223 0.309 0.000 2.376 519 L HA 0.451 4.789 4.340 -0.004 0.000 0.275 519 L C -0.152 176.863 176.870 0.241 0.000 0.987 519 L CA -0.793 54.213 54.840 0.277 0.000 0.828 519 L CB 1.450 43.721 42.059 0.353 0.000 1.249 519 L HN 0.591 nan 8.230 nan 0.000 0.409 520 N N 2.372 121.151 118.700 0.132 0.000 2.735 520 N HA -0.202 4.536 4.740 -0.004 0.000 0.248 520 N C 0.135 175.685 175.510 0.067 0.000 1.083 520 N CA 1.118 54.222 53.050 0.089 0.000 0.703 520 N CB -0.749 37.794 38.487 0.093 0.000 1.005 520 N HN 0.770 nan 8.380 nan 0.000 0.550 521 E N -3.770 116.465 120.200 0.060 0.000 3.916 521 E HA -0.243 4.105 4.350 -0.004 0.000 0.331 521 E C 0.181 176.777 176.600 -0.006 0.000 0.729 521 E CA 1.785 58.203 56.400 0.029 0.000 1.222 521 E CB -1.758 27.952 29.700 0.015 0.000 1.633 521 E HN 0.683 nan 8.360 nan 0.000 0.437 522 T N -0.015 114.525 114.554 -0.023 0.000 2.863 522 T HA 0.505 4.853 4.350 -0.004 0.000 0.285 522 T C -0.308 174.216 174.700 -0.294 0.000 1.009 522 T CA -0.632 61.353 62.100 -0.191 0.000 0.989 522 T CB 1.498 70.188 68.868 -0.297 0.000 1.004 522 T HN 0.177 nan 8.240 nan 0.000 0.455 523 K N 2.957 123.148 120.400 -0.349 0.000 2.205 523 K HA 0.574 4.892 4.320 -0.004 0.000 0.279 523 K C -1.331 175.016 176.600 -0.421 0.000 1.027 523 K CA -0.629 55.494 56.287 -0.273 0.000 0.932 523 K CB 0.709 32.911 32.500 -0.497 0.000 1.032 523 K HN 0.446 nan 8.250 nan 0.000 0.466 524 F N 1.790 121.837 119.950 0.161 0.000 2.518 524 F HA 0.340 4.865 4.527 -0.004 0.000 0.323 524 F C -0.771 175.172 175.800 0.238 0.000 1.129 524 F CA -0.827 57.279 58.000 0.176 0.000 0.920 524 F CB 1.133 40.232 39.000 0.165 0.000 1.160 524 F HN 0.515 nan 8.300 nan 0.000 0.440 525 W N 3.542 125.018 121.300 0.294 0.000 2.303 525 W HA 0.506 5.163 4.660 -0.004 0.000 0.334 525 W C -0.593 176.155 176.519 0.381 0.000 1.197 525 W CA -0.537 56.999 57.345 0.318 0.000 1.262 525 W CB 0.571 30.138 29.460 0.179 0.000 1.153 525 W HN 0.439 nan 8.180 nan 0.000 0.596 526 Y N -0.591 120.062 120.300 0.589 0.000 2.625 526 Y HA 0.623 5.171 4.550 -0.004 0.000 0.338 526 Y C -1.065 175.091 175.900 0.426 0.000 1.123 526 Y CA -1.880 56.564 58.100 0.573 0.000 1.046 526 Y CB 1.049 40.012 38.460 0.838 0.000 1.299 526 Y HN 0.568 nan 8.280 nan 0.000 0.464 527 Q N 2.294 122.351 119.800 0.430 0.000 2.423 527 Q HA 0.794 5.131 4.340 -0.004 0.000 0.278 527 Q C -1.790 174.351 176.000 0.236 0.000 1.097 527 Q CA -1.186 54.739 55.803 0.204 0.000 0.809 527 Q CB 3.407 32.235 28.738 0.150 0.000 1.391 527 Q HN 0.858 nan 8.270 nan 0.000 0.428 528 M N 2.232 121.882 119.600 0.083 0.000 2.326 528 M HA 0.450 4.927 4.480 -0.004 0.000 0.292 528 M C -1.325 174.895 176.300 -0.133 0.000 1.081 528 M CA -0.934 54.340 55.300 -0.043 0.000 0.919 528 M CB 2.304 34.831 32.600 -0.122 0.000 1.634 528 M HN 0.601 nan 8.290 nan 0.000 0.451 529 I N 4.959 125.437 120.570 -0.153 0.000 2.297 529 I HA 0.394 4.562 4.170 -0.004 0.000 0.291 529 I C -0.459 175.478 176.117 -0.301 0.000 1.033 529 I CA -0.327 60.858 61.300 -0.193 0.000 1.253 529 I CB 0.481 38.391 38.000 -0.150 0.000 1.396 529 I HN 0.630 nan 8.210 nan 0.000 0.476 530 L N 8.189 129.178 121.223 -0.390 0.000 2.309 530 L HA 0.485 4.823 4.340 -0.004 0.000 0.282 530 L C -2.234 174.398 176.870 -0.398 0.000 1.036 530 L CA -1.848 52.640 54.840 -0.586 0.000 0.806 530 L CB 1.195 42.710 42.059 -0.907 0.000 1.220 530 L HN 0.250 nan 8.230 nan 0.000 0.429 531 P HA 0.097 nan 4.420 nan 0.000 0.269 531 P C -2.473 174.746 177.300 -0.135 0.000 1.217 531 P CA -0.807 62.172 63.100 -0.202 0.000 0.783 531 P CB -0.077 31.531 31.700 -0.153 0.000 0.898 532 P HA -0.020 nan 4.420 nan 0.000 0.269 532 P C -0.310 176.903 177.300 -0.144 0.000 1.215 532 P CA 0.644 63.598 63.100 -0.243 0.000 0.780 532 P CB -0.114 31.390 31.700 -0.326 0.000 0.898 533 H N -1.450 117.654 119.070 0.056 0.000 2.741 533 H HA -0.213 4.341 4.556 -0.004 0.000 0.305 533 H C 0.113 175.507 175.328 0.110 0.000 1.169 533 H CA -0.037 56.052 56.048 0.069 0.000 1.144 533 H CB -2.277 27.519 29.762 0.057 0.000 1.397 533 H HN 0.362 nan 8.280 nan 0.000 0.409 534 F N 2.527 122.469 119.950 -0.015 0.000 2.612 534 F HA 0.100 4.625 4.527 -0.004 0.000 0.389 534 F C 0.613 176.434 175.800 0.035 0.000 1.055 534 F CA -0.046 57.904 58.000 -0.084 0.000 1.232 534 F CB 0.486 39.328 39.000 -0.264 0.000 1.044 534 F HN 0.167 nan 8.300 nan 0.000 0.560 535 D N 5.944 126.052 120.400 -0.486 0.000 2.453 535 D HA 0.127 4.765 4.640 -0.004 0.000 0.238 535 D C 0.640 176.546 176.300 -0.656 0.000 1.088 535 D CA -0.586 53.170 54.000 -0.408 0.000 0.854 535 D CB 0.970 41.694 40.800 -0.127 0.000 1.076 535 D HN 0.677 nan 8.370 nan 0.000 0.533 536 K N 1.491 121.498 120.400 -0.655 0.000 2.519 536 K HA -0.121 4.197 4.320 -0.004 0.000 0.196 536 K C 1.017 177.594 176.600 -0.038 0.000 1.041 536 K CA 1.207 57.298 56.287 -0.327 0.000 0.954 536 K CB -0.038 32.458 32.500 -0.006 0.000 0.774 536 K HN 0.207 nan 8.250 nan 0.000 0.480 537 S N -0.126 115.516 115.700 -0.096 0.000 2.528 537 S HA 0.060 4.527 4.470 -0.004 0.000 0.219 537 S C 0.353 174.913 174.600 -0.068 0.000 0.985 537 S CA -0.391 57.779 58.200 -0.050 0.000 0.914 537 S CB -0.003 63.161 63.200 -0.059 0.000 0.776 537 S HN 0.264 nan 8.310 nan 0.000 0.526 538 K N 0.906 121.237 120.400 -0.116 0.000 2.132 538 K HA 0.454 4.772 4.320 -0.004 0.000 0.241 538 K C -0.597 175.922 176.600 -0.135 0.000 1.000 538 K CA -0.847 55.312 56.287 -0.214 0.000 0.911 538 K CB 0.563 32.786 32.500 -0.461 0.000 1.093 538 K HN -0.054 nan 8.250 nan 0.000 0.460 539 K N 2.169 122.444 120.400 -0.208 0.000 2.367 539 K HA 0.272 4.589 4.320 -0.004 0.000 0.263 539 K C -1.079 175.434 176.600 -0.145 0.000 1.000 539 K CA -0.353 55.895 56.287 -0.066 0.000 0.891 539 K CB 0.749 33.208 32.500 -0.068 0.000 1.117 539 K HN 0.472 nan 8.250 nan 0.000 0.443 540 Y N 2.862 123.205 120.300 0.071 0.000 2.419 540 Y HA 0.287 4.835 4.550 -0.004 0.000 0.328 540 Y C -1.703 174.151 175.900 -0.076 0.000 1.162 540 Y CA -2.198 55.914 58.100 0.020 0.000 1.174 540 Y CB 0.870 39.393 38.460 0.104 0.000 1.228 540 Y HN 0.427 nan 8.280 nan 0.000 0.473 541 P HA 0.127 nan 4.420 nan 0.000 0.274 541 P C -1.219 175.975 177.300 -0.177 0.000 1.231 541 P CA -0.184 62.671 63.100 -0.408 0.000 0.790 541 P CB 1.454 32.608 31.700 -0.910 0.000 0.951 542 L N 3.278 124.420 121.223 -0.135 0.000 2.381 542 L HA 0.550 4.888 4.340 -0.004 0.000 0.274 542 L C -1.373 175.678 176.870 0.302 0.000 0.988 542 L CA -0.897 54.000 54.840 0.095 0.000 0.824 542 L CB 1.645 43.767 42.059 0.104 0.000 1.263 542 L HN 0.140 nan 8.230 nan 0.000 0.410 543 L N 5.637 127.043 121.223 0.305 0.000 2.298 543 L HA 0.554 4.892 4.340 -0.004 0.000 0.284 543 L C -1.369 175.720 176.870 0.366 0.000 1.013 543 L CA -0.417 54.653 54.840 0.383 0.000 0.824 543 L CB 1.461 43.692 42.059 0.286 0.000 1.221 543 L HN 0.697 nan 8.230 nan 0.000 0.418 544 L N 5.113 126.600 121.223 0.440 0.000 2.283 544 L HA 0.403 4.740 4.340 -0.004 0.000 0.287 544 L C -0.518 176.588 176.870 0.394 0.000 1.073 544 L CA 0.233 55.323 54.840 0.417 0.000 0.822 544 L CB 0.545 42.886 42.059 0.470 0.000 1.186 544 L HN 0.639 nan 8.230 nan 0.000 0.436 545 D N 4.500 125.114 120.400 0.357 0.000 2.313 545 D HA 0.365 5.003 4.640 -0.004 0.000 0.239 545 D C -1.032 175.356 176.300 0.146 0.000 1.142 545 D CA -0.024 54.120 54.000 0.241 0.000 0.847 545 D CB 1.047 42.051 40.800 0.340 0.000 1.082 545 D HN 0.276 nan 8.370 nan 0.000 0.480 546 V N 5.327 125.251 119.914 0.017 0.000 2.735 546 V HA 0.325 4.443 4.120 -0.004 0.000 0.310 546 V C -0.227 175.962 176.094 0.158 0.000 1.061 546 V CA -0.735 61.639 62.300 0.123 0.000 0.913 546 V CB 1.641 33.539 31.823 0.125 0.000 1.005 546 V HN 0.656 nan 8.190 nan 0.000 0.428 547 Y N 3.039 123.416 120.300 0.127 0.000 3.224 547 Y HA 0.527 5.075 4.550 -0.004 0.000 0.184 547 Y C 1.663 177.718 175.900 0.258 0.000 0.891 547 Y CA 1.032 59.236 58.100 0.174 0.000 1.736 547 Y CB 0.322 38.865 38.460 0.139 0.000 1.411 547 Y HN 0.748 nan 8.280 nan 0.000 0.402 548 A N 0.916 123.832 122.820 0.161 0.000 2.899 548 A HA -0.174 4.144 4.320 -0.004 0.000 0.257 548 A C 0.839 178.260 177.584 -0.271 0.000 1.335 548 A CA 0.849 52.924 52.037 0.063 0.000 0.924 548 A CB -2.536 16.568 19.000 0.173 0.000 1.105 548 A HN 0.931 nan 8.150 nan 0.000 0.765 549 G N -0.305 108.061 108.800 -0.725 0.000 2.606 549 G HA2 0.480 4.438 3.960 -0.004 0.000 0.252 549 G HA3 0.480 4.438 3.960 -0.004 0.000 0.252 549 G C -1.742 172.814 174.900 -0.574 0.000 1.206 549 G CA -0.509 43.779 45.100 -1.352 0.000 0.861 549 G HN 0.441 nan 8.290 nan 0.000 0.561 550 P HA -0.003 nan 4.420 nan 0.000 0.264 550 P C 0.636 177.772 177.300 -0.272 0.000 1.193 550 P CA 0.245 63.039 63.100 -0.511 0.000 0.763 550 P CB 0.722 31.737 31.700 -1.141 0.000 0.810 551 C N 2.369 121.597 119.300 -0.121 0.000 4.432 551 C HA -0.138 4.320 4.460 -0.004 0.000 0.294 551 C C 1.000 176.024 174.990 0.058 0.000 1.398 551 C CA 1.125 60.066 59.018 -0.127 0.000 1.988 551 C CB -2.662 24.905 27.740 -0.289 0.000 1.251 551 C HN 0.828 nan 8.230 nan 0.000 0.791 552 S N -0.243 115.549 115.700 0.152 0.000 2.730 552 S HA 0.722 5.190 4.470 -0.004 0.000 0.284 552 S C -0.710 174.071 174.600 0.302 0.000 1.153 552 S CA -0.041 58.350 58.200 0.320 0.000 0.995 552 S CB 1.777 65.246 63.200 0.449 0.000 1.058 552 S HN 0.860 nan 8.310 nan 0.000 0.552 553 Q N -0.347 119.660 119.800 0.344 0.000 2.334 553 Q HA 0.357 4.695 4.340 -0.004 0.000 0.249 553 Q C -0.848 175.298 176.000 0.243 0.000 0.909 553 Q CA -0.575 55.415 55.803 0.312 0.000 0.823 553 Q CB 1.137 30.121 28.738 0.409 0.000 1.353 553 Q HN 0.661 nan 8.270 nan 0.000 0.433 554 K N 1.054 121.592 120.400 0.230 0.000 2.355 554 K HA 0.324 4.642 4.320 -0.004 0.000 0.198 554 K C -0.265 176.454 176.600 0.198 0.000 1.039 554 K CA 0.359 56.770 56.287 0.207 0.000 1.075 554 K CB 1.416 34.062 32.500 0.244 0.000 0.870 554 K HN 0.501 nan 8.250 nan 0.000 0.540 555 A N 2.885 125.833 122.820 0.212 0.000 2.322 555 A HA 0.399 4.717 4.320 -0.004 0.000 0.327 555 A C -0.735 176.938 177.584 0.149 0.000 1.394 555 A CA -0.528 51.638 52.037 0.214 0.000 0.921 555 A CB 0.060 19.245 19.000 0.308 0.000 1.153 555 A HN 0.239 nan 8.150 nan 0.000 0.523 556 D N -0.062 120.404 120.400 0.110 0.000 2.744 556 D HA 0.452 5.090 4.640 -0.004 0.000 0.304 556 D C 0.365 176.705 176.300 0.067 0.000 1.179 556 D CA 0.260 54.317 54.000 0.096 0.000 1.024 556 D CB 0.385 41.248 40.800 0.105 0.000 1.453 556 D HN 0.162 nan 8.370 nan 0.000 0.529 557 T N -2.284 112.332 114.554 0.104 0.000 3.223 557 T HA 0.352 4.700 4.350 -0.004 0.000 0.259 557 T C 0.257 174.951 174.700 -0.011 0.000 1.015 557 T CA -0.417 61.728 62.100 0.075 0.000 0.908 557 T CB -0.743 68.201 68.868 0.127 0.000 1.054 557 T HN 0.259 nan 8.240 nan 0.000 0.567 558 V N 2.424 122.242 119.914 -0.160 0.000 2.583 558 V HA 0.380 4.498 4.120 -0.004 0.000 0.287 558 V C 0.021 176.069 176.094 -0.078 0.000 1.051 558 V CA -1.050 61.102 62.300 -0.246 0.000 1.010 558 V CB 0.367 31.912 31.823 -0.463 0.000 0.988 558 V HN 0.568 nan 8.190 nan 0.000 0.478 559 F N 6.210 126.066 119.950 -0.157 0.000 2.420 559 F HA 0.575 5.099 4.527 -0.004 0.000 0.352 559 F C 0.468 176.211 175.800 -0.096 0.000 1.108 559 F CA -0.180 57.753 58.000 -0.113 0.000 1.162 559 F CB 0.270 39.210 39.000 -0.099 0.000 1.118 559 F HN 0.433 nan 8.300 nan 0.000 0.510 560 R N 6.381 126.399 120.500 -0.804 0.000 2.744 560 R HA 0.581 4.918 4.340 -0.004 0.000 0.279 560 R C -1.633 174.228 176.300 -0.733 0.000 0.977 560 R CA -1.100 54.658 56.100 -0.571 0.000 0.906 560 R CB 2.196 32.334 30.300 -0.270 0.000 1.197 560 R HN 0.649 nan 8.270 nan 0.000 0.463 561 L N 3.880 124.862 121.223 -0.401 0.000 2.366 561 L HA 0.405 4.742 4.340 -0.004 0.000 0.266 561 L C -0.742 176.099 176.870 -0.048 0.000 1.010 561 L CA -0.676 53.978 54.840 -0.309 0.000 0.879 561 L CB 0.624 42.631 42.059 -0.087 0.000 1.228 561 L HN 0.775 nan 8.230 nan 0.000 0.439 562 N N 0.193 118.795 118.700 -0.164 0.000 3.479 562 N HA 0.171 4.909 4.740 -0.004 0.000 0.336 562 N C 0.247 175.406 175.510 -0.585 0.000 1.623 562 N CA -0.847 52.019 53.050 -0.306 0.000 0.759 562 N CB 0.163 38.594 38.487 -0.094 0.000 2.016 562 N HN 0.274 nan 8.380 nan 0.000 0.637 563 W N 0.697 121.413 121.300 -0.973 0.000 2.338 563 W HA 0.134 4.792 4.660 -0.004 0.000 0.304 563 W C 2.100 178.550 176.519 -0.115 0.000 1.212 563 W CA 2.930 59.926 57.345 -0.582 0.000 1.264 563 W CB -1.040 28.235 29.460 -0.310 0.000 1.142 563 W HN 0.694 nan 8.180 nan 0.000 0.512 564 A N -0.542 122.272 122.820 -0.009 0.000 1.978 564 A HA -0.218 4.100 4.320 -0.004 0.000 0.220 564 A C 1.940 179.426 177.584 -0.164 0.000 1.170 564 A CA 2.517 54.478 52.037 -0.126 0.000 0.636 564 A CB -1.292 17.703 19.000 -0.008 0.000 0.810 564 A HN 0.306 nan 8.150 nan 0.000 0.448 565 T N -1.215 113.255 114.554 -0.139 0.000 2.684 565 T HA -0.212 4.136 4.350 -0.004 0.000 0.267 565 T C 1.809 176.539 174.700 0.051 0.000 1.036 565 T CA 1.771 63.766 62.100 -0.176 0.000 1.148 565 T CB -0.481 68.104 68.868 -0.472 0.000 0.863 565 T HN 0.691 nan 8.240 nan 0.000 0.436 566 Y N 2.088 122.474 120.300 0.143 0.000 2.163 566 Y HA -0.021 4.527 4.550 -0.003 0.000 0.288 566 Y C 1.968 177.846 175.900 -0.036 0.000 1.136 566 Y CA 0.906 59.109 58.100 0.171 0.000 1.147 566 Y CB -0.801 37.739 38.460 0.133 0.000 0.987 566 Y HN 0.116 nan 8.280 nan 0.000 0.509 567 L N 0.280 121.059 121.223 -0.740 0.000 2.042 567 L HA -0.238 4.100 4.340 -0.004 0.000 0.210 567 L C 2.824 179.424 176.870 -0.450 0.000 1.076 567 L CA 1.468 55.805 54.840 -0.839 0.000 0.749 567 L CB -1.031 40.579 42.059 -0.749 0.000 0.893 567 L HN 0.414 nan 8.230 nan 0.000 0.432 568 A N -1.354 121.288 122.820 -0.297 0.000 1.898 568 A HA -0.165 4.152 4.320 -0.004 0.000 0.214 568 A C 2.514 180.009 177.584 -0.149 0.000 1.183 568 A CA 1.708 53.620 52.037 -0.208 0.000 0.622 568 A CB -0.546 18.329 19.000 -0.207 0.000 0.824 568 A HN 0.332 nan 8.150 nan 0.000 0.444 569 S N -1.078 114.557 115.700 -0.108 0.000 2.355 569 S HA -0.109 4.359 4.470 -0.004 0.000 0.222 569 S C 1.998 176.602 174.600 0.007 0.000 1.031 569 S CA 2.224 60.410 58.200 -0.023 0.000 0.993 569 S CB -0.370 62.875 63.200 0.075 0.000 0.859 569 S HN 0.582 nan 8.310 nan 0.000 0.453 570 T N 1.214 115.756 114.554 -0.020 0.000 2.983 570 T HA 0.179 4.527 4.350 -0.004 0.000 0.250 570 T C 1.297 175.964 174.700 -0.056 0.000 1.037 570 T CA 0.514 62.624 62.100 0.018 0.000 1.142 570 T CB -0.086 68.880 68.868 0.164 0.000 0.876 570 T HN 0.296 nan 8.240 nan 0.000 0.455 571 E N 1.226 121.295 120.200 -0.218 0.000 2.479 571 E HA 0.167 4.515 4.350 -0.004 0.000 0.193 571 E C -0.002 176.568 176.600 -0.050 0.000 1.049 571 E CA -0.107 56.206 56.400 -0.146 0.000 0.870 571 E CB -0.238 29.297 29.700 -0.275 0.000 0.944 571 E HN 0.297 nan 8.360 nan 0.000 0.492 572 N N 0.657 119.335 118.700 -0.036 0.000 2.727 572 N HA -0.193 4.545 4.740 -0.004 0.000 0.249 572 N C -1.035 174.524 175.510 0.081 0.000 1.048 572 N CA 0.526 53.611 53.050 0.059 0.000 0.714 572 N CB -1.269 37.323 38.487 0.175 0.000 0.959 572 N HN 0.261 nan 8.380 nan 0.000 0.544 573 I N 0.447 120.995 120.570 -0.036 0.000 2.412 573 I HA 0.351 4.519 4.170 -0.004 0.000 0.296 573 I C 0.659 176.720 176.117 -0.093 0.000 0.987 573 I CA -0.869 60.423 61.300 -0.013 0.000 1.180 573 I CB 1.330 39.333 38.000 0.006 0.000 1.340 573 I HN -0.012 nan 8.210 nan 0.000 0.455 574 I N 6.310 126.833 120.570 -0.078 0.000 2.416 574 I HA 0.176 4.343 4.170 -0.004 0.000 0.288 574 I C -0.419 175.659 176.117 -0.065 0.000 1.051 574 I CA -0.393 60.813 61.300 -0.155 0.000 1.375 574 I CB 1.106 39.012 38.000 -0.157 0.000 1.407 574 I HN 0.194 nan 8.210 nan 0.000 0.516 575 V N 6.672 126.538 119.914 -0.080 0.000 2.357 575 V HA 0.636 4.753 4.120 -0.004 0.000 0.284 575 V C 0.278 176.389 176.094 0.028 0.000 1.018 575 V CA -0.432 61.878 62.300 0.018 0.000 0.841 575 V CB 1.204 33.035 31.823 0.013 0.000 0.991 575 V HN 0.847 nan 8.190 nan 0.000 0.437 576 A N 3.969 126.841 122.820 0.086 0.000 2.354 576 A HA 0.967 5.285 4.320 -0.004 0.000 0.321 576 A C -0.224 177.528 177.584 0.281 0.000 1.125 576 A CA -0.540 51.554 52.037 0.096 0.000 0.799 576 A CB 1.831 20.728 19.000 -0.170 0.000 1.293 576 A HN 0.685 nan 8.150 nan 0.000 0.452 577 S N -0.409 115.516 115.700 0.374 0.000 2.546 577 S HA 0.734 5.202 4.470 -0.004 0.000 0.274 577 S C -1.573 173.411 174.600 0.639 0.000 1.121 577 S CA -0.293 58.172 58.200 0.441 0.000 0.887 577 S CB 1.337 64.731 63.200 0.323 0.000 1.094 577 S HN 0.771 nan 8.310 nan 0.000 0.474 578 F N 1.908 122.102 119.950 0.406 0.000 2.561 578 F HA 0.474 4.998 4.527 -0.004 0.000 0.313 578 F C -1.469 174.529 175.800 0.330 0.000 1.126 578 F CA -0.809 57.439 58.000 0.413 0.000 0.918 578 F CB 1.483 40.673 39.000 0.317 0.000 1.199 578 F HN 0.394 nan 8.300 nan 0.000 0.444 579 D N 4.790 124.997 120.400 -0.322 0.000 2.485 579 D HA 0.352 4.990 4.640 -0.004 0.000 0.221 579 D C 0.409 176.436 176.300 -0.455 0.000 1.112 579 D CA 0.154 54.039 54.000 -0.191 0.000 0.911 579 D CB 1.331 42.180 40.800 0.081 0.000 1.019 579 D HN 0.754 nan 8.370 nan 0.000 0.516 580 G N 1.146 109.714 108.800 -0.385 0.000 2.695 580 G HA2 0.276 4.234 3.960 -0.004 0.000 0.213 580 G HA3 0.276 4.234 3.960 -0.004 0.000 0.213 580 G C 0.161 175.051 174.900 -0.016 0.000 1.406 580 G CA -0.705 44.190 45.100 -0.342 0.000 1.049 580 G HN 0.269 nan 8.290 nan 0.000 0.573 581 R N -0.593 119.885 120.500 -0.036 0.000 2.623 581 R HA 0.367 4.705 4.340 -0.004 0.000 0.271 581 R C 1.228 177.606 176.300 0.130 0.000 1.043 581 R CA 1.417 57.588 56.100 0.118 0.000 1.083 581 R CB 0.470 30.821 30.300 0.084 0.000 0.974 581 R HN 1.037 nan 8.270 nan 0.000 0.436 582 G N 1.082 109.957 108.800 0.126 0.000 2.258 582 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.233 582 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.233 582 G C 0.165 175.091 174.900 0.043 0.000 1.006 582 G CA 0.140 45.294 45.100 0.090 0.000 0.620 582 G HN 0.735 nan 8.290 nan 0.000 0.511 583 S N 0.553 116.290 115.700 0.061 0.000 2.584 583 S HA 0.621 5.089 4.470 -0.004 0.000 0.270 583 S C 0.883 175.476 174.600 -0.012 0.000 1.346 583 S CA 0.572 58.804 58.200 0.054 0.000 1.018 583 S CB 1.691 64.953 63.200 0.105 0.000 0.899 583 S HN 1.698 nan 8.310 nan 0.000 0.542 584 G N -0.609 108.140 108.800 -0.084 0.000 2.552 584 G HA2 0.496 4.454 3.960 -0.004 0.000 0.318 584 G HA3 0.496 4.454 3.960 -0.004 0.000 0.318 584 G C -0.924 173.820 174.900 -0.260 0.000 1.240 584 G CA -1.010 43.872 45.100 -0.363 0.000 1.002 584 G HN 0.977 nan 8.290 nan 0.000 0.493 585 Y N -2.448 117.870 120.300 0.030 0.000 4.668 585 Y HA -0.213 4.334 4.550 -0.004 0.000 0.234 585 Y C 1.341 177.255 175.900 0.023 0.000 1.056 585 Y CA 1.045 59.163 58.100 0.030 0.000 2.025 585 Y CB -2.203 36.287 38.460 0.050 0.000 1.613 585 Y HN 0.542 nan 8.280 nan 0.000 0.653 586 Q N -0.050 119.770 119.800 0.032 0.000 2.084 586 Q HA 0.512 4.850 4.340 -0.004 0.000 0.230 586 Q C 0.878 176.768 176.000 -0.185 0.000 0.806 586 Q CA 0.197 56.026 55.803 0.042 0.000 1.083 586 Q CB 1.623 30.387 28.738 0.043 0.000 1.208 586 Q HN 0.588 nan 8.270 nan 0.000 0.462 587 G N 0.698 109.247 108.800 -0.418 0.000 2.663 587 G HA2 -0.172 3.786 3.960 -0.004 0.000 0.686 587 G HA3 -0.172 3.786 3.960 -0.004 0.000 0.686 587 G C -0.500 174.038 174.900 -0.603 0.000 1.246 587 G CA -0.625 43.938 45.100 -0.895 0.000 0.795 587 G HN 0.112 nan 8.290 nan 0.000 0.627 588 D N 0.085 120.091 120.400 -0.655 0.000 2.269 588 D HA -0.043 4.595 4.640 -0.004 0.000 0.208 588 D C 2.240 178.261 176.300 -0.465 0.000 0.963 588 D CA 1.308 54.883 54.000 -0.708 0.000 0.864 588 D CB 0.104 40.426 40.800 -0.796 0.000 0.936 588 D HN 0.480 nan 8.370 nan 0.000 0.505 589 K N 1.040 121.230 120.400 -0.350 0.000 2.032 589 K HA -0.068 4.250 4.320 -0.004 0.000 0.209 589 K C 1.918 178.448 176.600 -0.117 0.000 1.048 589 K CA 0.996 57.169 56.287 -0.190 0.000 0.927 589 K CB -0.371 32.030 32.500 -0.165 0.000 0.712 589 K HN 0.128 nan 8.250 nan 0.000 0.441 590 I N -0.214 120.277 120.570 -0.132 0.000 2.277 590 I HA -0.155 4.013 4.170 -0.004 0.000 0.243 590 I C 2.554 178.666 176.117 -0.009 0.000 1.094 590 I CA 1.070 62.363 61.300 -0.013 0.000 1.393 590 I CB -0.168 37.840 38.000 0.014 0.000 1.078 590 I HN 0.286 nan 8.210 nan 0.000 0.417 591 M N 0.194 119.721 119.600 -0.121 0.000 2.086 591 M HA -0.239 4.239 4.480 -0.004 0.000 0.261 591 M C 1.932 178.263 176.300 0.053 0.000 1.067 591 M CA 2.001 57.254 55.300 -0.079 0.000 1.116 591 M CB -0.342 32.119 32.600 -0.231 0.000 1.348 591 M HN 0.259 nan 8.290 nan 0.000 0.407 592 H N -0.628 118.330 119.070 -0.186 0.000 2.556 592 H HA 0.141 4.695 4.556 -0.004 0.000 0.268 592 H C 1.801 177.131 175.328 0.003 0.000 0.996 592 H CA 0.086 56.020 56.048 -0.190 0.000 1.157 592 H CB 0.119 29.683 29.762 -0.329 0.000 1.355 592 H HN 0.531 nan 8.280 nan 0.000 0.597 593 A N 1.443 124.361 122.820 0.163 0.000 2.019 593 A HA -0.120 4.198 4.320 -0.004 0.000 0.219 593 A C 2.106 179.879 177.584 0.314 0.000 1.164 593 A CA 0.987 53.142 52.037 0.197 0.000 0.644 593 A CB -0.603 18.479 19.000 0.137 0.000 0.805 593 A HN 0.573 nan 8.150 nan 0.000 0.449 594 I N -3.045 117.687 120.570 0.270 0.000 3.812 594 I HA 0.153 4.321 4.170 -0.004 0.000 0.320 594 I C 0.372 176.573 176.117 0.140 0.000 1.276 594 I CA -0.464 60.957 61.300 0.201 0.000 1.164 594 I CB -0.837 37.248 38.000 0.143 0.000 1.009 594 I HN 0.085 nan 8.210 nan 0.000 0.431 595 N N 2.822 121.646 118.700 0.207 0.000 2.294 595 N HA -0.091 4.647 4.740 -0.004 0.000 0.263 595 N C 0.597 176.130 175.510 0.038 0.000 1.281 595 N CA 0.638 53.803 53.050 0.191 0.000 0.846 595 N CB 0.124 38.678 38.487 0.112 0.000 1.061 595 N HN 0.307 nan 8.380 nan 0.000 0.478 596 R N -0.050 120.453 120.500 0.004 0.000 4.016 596 R HA -0.245 4.093 4.340 -0.004 0.000 0.385 596 R C -0.354 175.803 176.300 -0.240 0.000 1.158 596 R CA 1.035 57.087 56.100 -0.079 0.000 1.117 596 R CB -1.033 29.238 30.300 -0.048 0.000 1.635 596 R HN 0.494 nan 8.270 nan 0.000 0.560 597 R N 0.701 121.046 120.500 -0.260 0.000 2.718 597 R HA 0.353 4.691 4.340 -0.004 0.000 0.307 597 R C -0.493 175.743 176.300 -0.106 0.000 1.244 597 R CA -0.186 55.604 56.100 -0.517 0.000 1.348 597 R CB 0.580 30.584 30.300 -0.492 0.000 1.304 597 R HN 0.066 nan 8.270 nan 0.000 0.663 598 L N -0.445 120.812 121.223 0.057 0.000 2.467 598 L HA 0.253 4.591 4.340 -0.004 0.000 0.270 598 L C 1.318 178.429 176.870 0.402 0.000 1.205 598 L CA 0.792 55.709 54.840 0.128 0.000 0.828 598 L CB 0.584 42.505 42.059 -0.229 0.000 1.101 598 L HN 0.703 nan 8.230 nan 0.000 0.479 599 G N 0.665 109.738 108.800 0.456 0.000 2.136 599 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.242 599 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.242 599 G C 0.446 175.444 174.900 0.164 0.000 0.989 599 G CA 0.596 45.925 45.100 0.381 0.000 0.682 599 G HN 0.848 nan 8.290 nan 0.000 0.522 600 T N -3.606 111.001 114.554 0.089 0.000 3.257 600 T HA 0.462 4.810 4.350 -0.004 0.000 0.176 600 T C 1.654 176.350 174.700 -0.006 0.000 0.892 600 T CA 0.921 62.977 62.100 -0.072 0.000 1.147 600 T CB -0.065 68.579 68.868 -0.372 0.000 1.840 600 T HN 0.152 nan 8.240 nan 0.000 0.375 601 F N 3.551 123.544 119.950 0.071 0.000 2.161 601 F HA 0.054 4.579 4.527 -0.004 0.000 0.300 601 F C 2.774 178.610 175.800 0.060 0.000 1.089 601 F CA 1.257 59.288 58.000 0.051 0.000 1.282 601 F CB -0.684 38.342 39.000 0.042 0.000 1.010 601 F HN 0.530 nan 8.300 nan 0.000 0.485 602 E N 0.552 120.912 120.200 0.267 0.000 2.208 602 E HA -0.101 4.247 4.350 -0.004 0.000 0.193 602 E C 2.069 178.780 176.600 0.185 0.000 0.988 602 E CA 1.264 57.793 56.400 0.216 0.000 0.828 602 E CB -0.953 28.879 29.700 0.220 0.000 0.763 602 E HN 0.302 nan 8.360 nan 0.000 0.478 603 V N 1.578 121.579 119.914 0.146 0.000 2.346 603 V HA -0.173 3.945 4.120 -0.004 0.000 0.244 603 V C 2.278 178.418 176.094 0.078 0.000 1.037 603 V CA 1.938 64.281 62.300 0.072 0.000 1.029 603 V CB -0.511 31.309 31.823 -0.004 0.000 0.663 603 V HN 0.186 nan 8.190 nan 0.000 0.454 604 E N 0.257 120.518 120.200 0.102 0.000 2.077 604 E HA -0.239 4.108 4.350 -0.004 0.000 0.193 604 E C 1.914 178.555 176.600 0.067 0.000 0.989 604 E CA 1.535 57.990 56.400 0.092 0.000 0.800 604 E CB -0.204 29.581 29.700 0.142 0.000 0.746 604 E HN 0.557 nan 8.360 nan 0.000 0.452 605 D N 0.401 120.859 120.400 0.096 0.000 2.178 605 D HA -0.142 4.496 4.640 -0.004 0.000 0.201 605 D C 1.948 178.270 176.300 0.037 0.000 0.980 605 D CA 0.813 54.853 54.000 0.067 0.000 0.842 605 D CB -0.089 40.795 40.800 0.140 0.000 0.948 605 D HN 0.123 nan 8.370 nan 0.000 0.472 606 Q N 0.003 119.876 119.800 0.121 0.000 2.123 606 Q HA 0.009 4.347 4.340 -0.004 0.000 0.199 606 Q C 2.552 178.604 176.000 0.086 0.000 0.966 606 Q CA 0.395 56.275 55.803 0.128 0.000 0.845 606 Q CB 0.020 28.856 28.738 0.164 0.000 0.907 606 Q HN 0.426 nan 8.270 nan 0.000 0.439 607 I N 0.717 121.349 120.570 0.103 0.000 2.202 607 I HA -0.250 3.918 4.170 -0.004 0.000 0.242 607 I C 2.374 178.463 176.117 -0.046 0.000 1.091 607 I CA 1.135 62.531 61.300 0.160 0.000 1.368 607 I CB -0.194 37.884 38.000 0.130 0.000 1.058 607 I HN 0.129 nan 8.210 nan 0.000 0.410 608 E N 1.562 121.683 120.200 -0.133 0.000 2.110 608 E HA -0.195 4.152 4.350 -0.004 0.000 0.193 608 E C 2.088 178.407 176.600 -0.468 0.000 0.988 608 E CA 1.615 57.868 56.400 -0.244 0.000 0.804 608 E CB -0.196 29.377 29.700 -0.212 0.000 0.745 608 E HN 0.412 nan 8.360 nan 0.000 0.458 609 A N 0.763 123.170 122.820 -0.688 0.000 1.908 609 A HA -0.103 4.215 4.320 -0.004 0.000 0.218 609 A C 2.449 179.415 177.584 -1.030 0.000 1.181 609 A CA 2.260 53.566 52.037 -1.219 0.000 0.627 609 A CB -1.024 17.158 19.000 -1.363 0.000 0.818 609 A HN 0.385 nan 8.150 nan 0.000 0.445 610 A N -0.344 122.232 122.820 -0.406 0.000 1.930 610 A HA -0.138 4.180 4.320 -0.004 0.000 0.217 610 A C 2.244 179.682 177.584 -0.242 0.000 1.175 610 A CA 1.409 53.346 52.037 -0.166 0.000 0.627 610 A CB -0.441 18.472 19.000 -0.144 0.000 0.815 610 A HN 0.559 nan 8.150 nan 0.000 0.443 611 R N -0.642 119.688 120.500 -0.283 0.000 2.073 611 R HA -0.123 4.215 4.340 -0.004 0.000 0.234 611 R C 2.360 178.515 176.300 -0.241 0.000 1.134 611 R CA 1.434 57.395 56.100 -0.231 0.000 0.952 611 R CB -0.341 29.840 30.300 -0.198 0.000 0.850 611 R HN 0.569 nan 8.270 nan 0.000 0.433 612 Q N -0.196 119.390 119.800 -0.356 0.000 2.124 612 Q HA -0.130 4.208 4.340 -0.004 0.000 0.202 612 Q C 2.003 177.853 176.000 -0.249 0.000 0.977 612 Q CA 1.310 56.907 55.803 -0.343 0.000 0.850 612 Q CB -0.119 28.329 28.738 -0.484 0.000 0.901 612 Q HN 0.286 nan 8.270 nan 0.000 0.429 613 F N 1.198 120.990 119.950 -0.264 0.000 2.163 613 F HA -0.127 4.398 4.527 -0.004 0.000 0.297 613 F C 2.758 178.395 175.800 -0.272 0.000 1.094 613 F CA 1.189 59.032 58.000 -0.262 0.000 1.290 613 F CB -1.222 37.671 39.000 -0.178 0.000 1.017 613 F HN 0.075 nan 8.300 nan 0.000 0.483 614 S N -0.028 115.654 115.700 -0.030 0.000 2.399 614 S HA -0.193 4.275 4.470 -0.004 0.000 0.231 614 S C 1.645 176.151 174.600 -0.156 0.000 1.022 614 S CA 0.973 59.112 58.200 -0.101 0.000 0.983 614 S CB -0.685 62.450 63.200 -0.108 0.000 0.803 614 S HN 0.383 nan 8.310 nan 0.000 0.480 615 K N 0.491 120.798 120.400 -0.154 0.000 2.569 615 K HA 0.269 4.587 4.320 -0.004 0.000 0.193 615 K C 1.197 177.681 176.600 -0.193 0.000 1.026 615 K CA 0.205 56.400 56.287 -0.152 0.000 1.093 615 K CB -0.253 32.171 32.500 -0.127 0.000 0.849 615 K HN 0.509 nan 8.250 nan 0.000 0.509 616 M N -0.969 118.442 119.600 -0.314 0.000 2.502 616 M HA 0.057 4.535 4.480 -0.004 0.000 0.243 616 M C 1.168 177.143 176.300 -0.542 0.000 1.130 616 M CA 0.619 55.641 55.300 -0.463 0.000 1.055 616 M CB 0.544 32.698 32.600 -0.744 0.000 1.457 616 M HN 0.439 nan 8.290 nan 0.000 0.488 617 G N 1.293 109.849 108.800 -0.406 0.000 2.225 617 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.254 617 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.254 617 G C 0.388 175.229 174.900 -0.098 0.000 0.988 617 G CA 0.422 45.395 45.100 -0.212 0.000 0.625 617 G HN 0.579 nan 8.290 nan 0.000 0.527 618 F N 0.099 120.106 119.950 0.096 0.000 2.668 618 F HA 0.772 5.297 4.527 -0.004 0.000 0.301 618 F C 0.077 175.992 175.800 0.191 0.000 1.106 618 F CA -1.620 56.473 58.000 0.154 0.000 1.289 618 F CB 0.015 39.181 39.000 0.277 0.000 1.006 618 F HN 0.085 nan 8.300 nan 0.000 0.535 619 V N 1.347 121.345 119.914 0.139 0.000 2.495 619 V HA 0.244 4.361 4.120 -0.004 0.000 0.298 619 V C -0.728 175.378 176.094 0.020 0.000 1.031 619 V CA -0.774 61.605 62.300 0.131 0.000 0.871 619 V CB 1.743 33.595 31.823 0.048 0.000 0.988 619 V HN 0.084 nan 8.190 nan 0.000 0.432 620 D N 3.850 124.248 120.400 -0.003 0.000 2.359 620 D HA 0.091 4.729 4.640 -0.004 0.000 0.250 620 D C 1.191 177.444 176.300 -0.079 0.000 1.264 620 D CA 0.134 54.097 54.000 -0.062 0.000 0.911 620 D CB 0.491 41.227 40.800 -0.107 0.000 1.056 620 D HN 0.487 nan 8.370 nan 0.000 0.499 621 N N 3.180 121.837 118.700 -0.072 0.000 2.334 621 N HA -0.161 4.577 4.740 -0.004 0.000 0.187 621 N C 0.890 176.357 175.510 -0.072 0.000 1.016 621 N CA 0.837 53.839 53.050 -0.081 0.000 0.879 621 N CB 0.255 38.695 38.487 -0.079 0.000 0.965 621 N HN 0.526 nan 8.380 nan 0.000 0.438 622 K N 0.495 120.858 120.400 -0.062 0.000 2.418 622 K HA 0.091 4.409 4.320 -0.004 0.000 0.195 622 K C 0.379 176.967 176.600 -0.021 0.000 1.035 622 K CA 0.393 56.658 56.287 -0.036 0.000 1.003 622 K CB 0.358 32.838 32.500 -0.033 0.000 0.793 622 K HN 0.020 nan 8.250 nan 0.000 0.494 623 R N 1.219 121.667 120.500 -0.088 0.000 2.748 623 R HA 0.346 4.684 4.340 -0.004 0.000 0.283 623 R C -1.004 175.206 176.300 -0.150 0.000 1.507 623 R CA -0.079 55.918 56.100 -0.173 0.000 1.666 623 R CB 0.587 30.560 30.300 -0.545 0.000 1.237 623 R HN -0.010 nan 8.270 nan 0.000 0.633 624 I N 1.101 121.745 120.570 0.123 0.000 2.389 624 I HA 0.559 4.727 4.170 -0.004 0.000 0.288 624 I C 0.072 176.504 176.117 0.524 0.000 0.999 624 I CA -0.757 60.678 61.300 0.225 0.000 1.129 624 I CB 1.812 39.799 38.000 -0.022 0.000 1.288 624 I HN 0.317 nan 8.210 nan 0.000 0.444 625 A N 7.223 130.452 122.820 0.683 0.000 2.344 625 A HA 0.932 5.249 4.320 -0.004 0.000 0.307 625 A C -0.977 176.947 177.584 0.567 0.000 1.151 625 A CA -0.672 51.721 52.037 0.592 0.000 0.842 625 A CB 2.017 21.228 19.000 0.352 0.000 1.350 625 A HN 0.732 nan 8.150 nan 0.000 0.459 626 I N 0.294 121.090 120.570 0.377 0.000 2.722 626 I HA 0.629 4.797 4.170 -0.004 0.000 0.292 626 I C -1.996 174.354 176.117 0.389 0.000 1.267 626 I CA -0.543 60.907 61.300 0.250 0.000 1.036 626 I CB 1.556 39.388 38.000 -0.280 0.000 1.281 626 I HN 0.937 nan 8.210 nan 0.000 0.423 627 W N 7.115 128.533 121.300 0.198 0.000 3.118 627 W HA 0.876 5.534 4.660 -0.004 0.000 0.328 627 W C -1.471 175.199 176.519 0.252 0.000 1.239 627 W CA -1.158 56.325 57.345 0.231 0.000 1.176 627 W CB 1.184 30.839 29.460 0.325 0.000 1.433 627 W HN 0.809 nan 8.180 nan 0.000 0.562 628 G N 0.976 109.731 108.800 -0.074 0.000 2.673 628 G HA2 0.483 4.441 3.960 -0.004 0.000 0.292 628 G HA3 0.483 4.441 3.960 -0.004 0.000 0.292 628 G C -2.784 172.083 174.900 -0.056 0.000 1.450 628 G CA -0.695 44.234 45.100 -0.286 0.000 0.837 628 G HN 0.597 nan 8.290 nan 0.000 0.505 629 W N 1.364 122.548 121.300 -0.194 0.000 2.632 629 W HA 0.598 5.256 4.660 -0.004 0.000 0.328 629 W C 0.758 177.341 176.519 0.105 0.000 1.044 629 W CA 0.348 57.666 57.345 -0.044 0.000 1.225 629 W CB 1.865 31.287 29.460 -0.063 0.000 1.396 629 W HN 1.309 nan 8.180 nan 0.000 0.499 630 S N 3.094 119.070 115.700 0.459 0.000 4.118 630 S HA -0.425 4.043 4.470 -0.004 0.000 0.624 630 S C 1.076 175.834 174.600 0.264 0.000 1.929 630 S CA 1.696 60.193 58.200 0.496 0.000 4.219 630 S CB -1.866 61.796 63.200 0.770 0.000 0.206 630 S HN 0.746 nan 8.310 nan 0.000 0.525 631 Y N 2.439 122.803 120.300 0.107 0.000 2.315 631 Y HA 0.078 4.626 4.550 -0.004 0.000 0.288 631 Y C 2.363 178.220 175.900 -0.071 0.000 1.154 631 Y CA 2.550 60.586 58.100 -0.107 0.000 1.229 631 Y CB -0.983 37.200 38.460 -0.462 0.000 0.980 631 Y HN 0.556 nan 8.280 nan 0.000 0.540 632 G N -1.072 107.808 108.800 0.134 0.000 2.443 632 G HA2 -0.181 3.776 3.960 -0.004 0.000 0.219 632 G HA3 -0.181 3.776 3.960 -0.004 0.000 0.219 632 G C 1.884 176.834 174.900 0.084 0.000 1.131 632 G CA 0.649 45.830 45.100 0.134 0.000 0.775 632 G HN 0.556 nan 8.290 nan 0.000 0.547 633 G N -0.163 108.693 108.800 0.093 0.000 2.403 633 G HA2 -0.196 3.761 3.960 -0.004 0.000 0.216 633 G HA3 -0.196 3.761 3.960 -0.004 0.000 0.216 633 G C 1.579 176.509 174.900 0.050 0.000 1.154 633 G CA 1.011 46.146 45.100 0.057 0.000 0.784 633 G HN 0.418 nan 8.290 nan 0.000 0.538 634 Y N 1.385 121.594 120.300 -0.153 0.000 2.163 634 Y HA -0.096 4.452 4.550 -0.004 0.000 0.288 634 Y C 2.718 178.524 175.900 -0.157 0.000 1.136 634 Y CA 1.537 59.493 58.100 -0.241 0.000 1.147 634 Y CB -0.408 37.756 38.460 -0.493 0.000 0.987 634 Y HN 0.022 nan 8.280 nan 0.000 0.509 635 V N -0.243 119.564 119.914 -0.178 0.000 2.343 635 V HA -0.317 3.801 4.120 -0.004 0.000 0.247 635 V C 2.319 178.308 176.094 -0.175 0.000 1.051 635 V CA 2.408 64.588 62.300 -0.200 0.000 1.036 635 V CB -1.181 30.666 31.823 0.039 0.000 0.654 635 V HN 0.486 nan 8.190 nan 0.000 0.451 636 T N -0.078 114.427 114.554 -0.082 0.000 2.684 636 T HA -0.195 4.153 4.350 -0.004 0.000 0.267 636 T C 2.141 176.795 174.700 -0.077 0.000 1.036 636 T CA 2.026 64.090 62.100 -0.060 0.000 1.148 636 T CB -0.273 68.636 68.868 0.068 0.000 0.863 636 T HN 0.526 nan 8.240 nan 0.000 0.436 637 S N 1.047 116.734 115.700 -0.022 0.000 2.368 637 S HA -0.020 4.448 4.470 -0.004 0.000 0.225 637 S C 2.132 176.663 174.600 -0.115 0.000 1.030 637 S CA 0.906 59.120 58.200 0.023 0.000 0.999 637 S CB -0.270 62.988 63.200 0.097 0.000 0.844 637 S HN 0.308 nan 8.310 nan 0.000 0.459 638 M N 0.919 120.349 119.600 -0.284 0.000 2.117 638 M HA -0.021 4.456 4.480 -0.004 0.000 0.262 638 M C 2.233 178.378 176.300 -0.259 0.000 1.065 638 M CA 1.078 56.188 55.300 -0.317 0.000 1.114 638 M CB -1.446 30.851 32.600 -0.504 0.000 1.361 638 M HN 0.175 nan 8.290 nan 0.000 0.408 639 V N 0.720 120.481 119.914 -0.255 0.000 2.261 639 V HA -0.246 3.872 4.120 -0.004 0.000 0.246 639 V C 2.509 178.432 176.094 -0.285 0.000 1.047 639 V CA 1.456 63.616 62.300 -0.233 0.000 1.015 639 V CB -0.652 30.983 31.823 -0.313 0.000 0.642 639 V HN 0.403 nan 8.190 nan 0.000 0.446 640 L N 0.403 121.389 121.223 -0.394 0.000 2.265 640 L HA -0.071 4.267 4.340 -0.004 0.000 0.215 640 L C 2.168 178.491 176.870 -0.911 0.000 1.117 640 L CA 1.419 55.928 54.840 -0.552 0.000 0.782 640 L CB -0.680 41.022 42.059 -0.596 0.000 0.914 640 L HN 0.483 nan 8.230 nan 0.000 0.441 641 G N -1.488 106.796 108.800 -0.860 0.000 3.189 641 G HA2 -0.034 3.923 3.960 -0.004 0.000 0.225 641 G HA3 -0.034 3.923 3.960 -0.004 0.000 0.225 641 G C 1.482 176.211 174.900 -0.286 0.000 1.159 641 G CA 0.545 45.221 45.100 -0.706 0.000 0.763 641 G HN 0.420 nan 8.290 nan 0.000 0.549 642 S N -0.597 114.968 115.700 -0.224 0.000 2.461 642 S HA 0.287 4.755 4.470 -0.004 0.000 0.228 642 S C 1.965 176.518 174.600 -0.078 0.000 1.005 642 S CA 1.027 59.160 58.200 -0.111 0.000 0.942 642 S CB -0.119 63.039 63.200 -0.071 0.000 0.776 642 S HN 1.361 nan 8.310 nan 0.000 0.514 643 G N 1.360 110.102 108.800 -0.096 0.000 2.143 643 G HA2 -0.343 3.614 3.960 -0.004 0.000 0.248 643 G HA3 -0.343 3.614 3.960 -0.004 0.000 0.248 643 G C 0.985 175.869 174.900 -0.026 0.000 0.991 643 G CA 0.966 46.032 45.100 -0.057 0.000 0.689 643 G HN 1.244 nan 8.290 nan 0.000 0.522 644 S N -0.426 115.268 115.700 -0.009 0.000 2.419 644 S HA 0.261 4.729 4.470 -0.004 0.000 0.233 644 S C 2.642 177.239 174.600 -0.005 0.000 1.016 644 S CA 1.870 60.074 58.200 0.008 0.000 0.974 644 S CB -0.347 62.883 63.200 0.052 0.000 0.786 644 S HN 2.456 nan 8.310 nan 0.000 0.492 645 G N -0.158 108.646 108.800 0.007 0.000 2.184 645 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.264 645 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.264 645 G C 0.821 175.698 174.900 -0.038 0.000 0.975 645 G CA 0.463 45.559 45.100 -0.007 0.000 0.642 645 G HN 0.743 nan 8.290 nan 0.000 0.536 646 V N -0.386 119.479 119.914 -0.081 0.000 2.453 646 V HA 0.221 4.339 4.120 -0.004 0.000 0.247 646 V C 1.300 177.142 176.094 -0.420 0.000 1.048 646 V CA 1.609 63.727 62.300 -0.304 0.000 1.049 646 V CB -0.400 31.112 31.823 -0.518 0.000 0.672 646 V HN 0.315 nan 8.190 nan 0.000 0.457 647 F N -0.206 119.762 119.950 0.030 0.000 2.422 647 F HA 0.398 4.923 4.527 -0.004 0.000 0.333 647 F C 1.105 176.954 175.800 0.081 0.000 1.095 647 F CA -0.527 57.518 58.000 0.075 0.000 1.038 647 F CB 1.438 40.486 39.000 0.081 0.000 1.156 647 F HN -0.259 nan 8.300 nan 0.000 0.483 648 K N 0.934 121.508 120.400 0.291 0.000 2.098 648 K HA 0.182 4.500 4.320 -0.004 0.000 0.203 648 K C -0.358 176.379 176.600 0.229 0.000 1.051 648 K CA 0.900 57.319 56.287 0.219 0.000 0.957 648 K CB 0.265 32.897 32.500 0.220 0.000 0.738 648 K HN 0.687 nan 8.250 nan 0.000 0.447 649 c N -1.412 117.358 118.600 0.283 0.000 3.285 649 c HA 0.810 5.377 4.570 -0.004 0.000 0.320 649 c C -0.321 173.990 174.090 0.367 0.000 1.411 649 c CA -0.769 55.742 56.329 0.302 0.000 1.429 649 c CB 1.594 44.195 42.510 0.151 0.000 1.812 649 c HN 0.557 nan 8.230 nan 0.000 0.454 650 G N 0.156 109.248 108.800 0.488 0.000 2.667 650 G HA2 0.686 4.644 3.960 -0.004 0.000 0.294 650 G HA3 0.686 4.644 3.960 -0.004 0.000 0.294 650 G C -1.952 173.212 174.900 0.441 0.000 1.467 650 G CA -0.384 44.975 45.100 0.432 0.000 0.852 650 G HN 0.685 nan 8.290 nan 0.000 0.521 651 I N 1.139 121.934 120.570 0.374 0.000 2.418 651 I HA 0.594 4.762 4.170 -0.004 0.000 0.287 651 I C 0.247 176.508 176.117 0.241 0.000 1.008 651 I CA -0.926 60.492 61.300 0.197 0.000 1.104 651 I CB 2.128 40.254 38.000 0.210 0.000 1.264 651 I HN 0.636 nan 8.210 nan 0.000 0.438 652 A N 6.729 129.583 122.820 0.057 0.000 2.287 652 A HA 0.764 5.081 4.320 -0.004 0.000 0.317 652 A C -0.659 176.845 177.584 -0.134 0.000 1.220 652 A CA -0.492 51.574 52.037 0.049 0.000 0.835 652 A CB 1.055 20.142 19.000 0.144 0.000 1.180 652 A HN 0.449 nan 8.150 nan 0.000 0.500 653 V N 2.159 121.942 119.914 -0.220 0.000 2.417 653 V HA 0.567 4.685 4.120 -0.004 0.000 0.291 653 V C 0.933 176.634 176.094 -0.655 0.000 1.024 653 V CA 0.285 62.229 62.300 -0.593 0.000 0.861 653 V CB 0.786 31.916 31.823 -1.154 0.000 0.985 653 V HN 2.063 nan 8.190 nan 0.000 0.436 654 A N 5.673 128.094 122.820 -0.664 0.000 2.415 654 A HA -0.105 4.212 4.320 -0.004 0.000 0.292 654 A C -1.762 175.655 177.584 -0.278 0.000 1.452 654 A CA 0.442 51.991 52.037 -0.812 0.000 0.750 654 A CB -1.514 17.127 19.000 -0.599 0.000 1.099 654 A HN 0.620 nan 8.150 nan 0.000 0.391 655 P HA 0.456 nan 4.420 nan 0.000 0.279 655 P C 0.127 177.392 177.300 -0.059 0.000 1.252 655 P CA -0.310 62.764 63.100 -0.044 0.000 0.811 655 P CB 1.406 33.106 31.700 -0.001 0.000 1.035 656 V N 1.942 121.732 119.914 -0.207 0.000 2.732 656 V HA 0.113 4.231 4.120 -0.004 0.000 0.297 656 V C 1.685 177.589 176.094 -0.317 0.000 1.060 656 V CA 0.858 62.892 62.300 -0.443 0.000 1.038 656 V CB 0.925 32.094 31.823 -1.090 0.000 1.003 656 V HN 0.850 nan 8.190 nan 0.000 0.481 657 S N 3.521 119.059 115.700 -0.270 0.000 2.619 657 S HA 0.246 4.714 4.470 -0.004 0.000 0.238 657 S C 0.440 174.871 174.600 -0.280 0.000 1.068 657 S CA -0.317 57.794 58.200 -0.148 0.000 0.926 657 S CB 0.322 63.500 63.200 -0.036 0.000 0.864 657 S HN 0.840 nan 8.310 nan 0.000 0.493 658 R N -1.069 119.144 120.500 -0.478 0.000 2.515 658 R HA 0.459 4.797 4.340 -0.004 0.000 0.278 658 R C -0.871 175.109 176.300 -0.533 0.000 1.107 658 R CA -0.819 54.950 56.100 -0.553 0.000 0.945 658 R CB -0.242 29.659 30.300 -0.665 0.000 1.219 658 R HN 0.127 nan 8.270 nan 0.000 0.434 659 W N 1.661 122.890 121.300 -0.118 0.000 2.364 659 W HA -0.072 4.586 4.660 -0.004 0.000 0.281 659 W C 1.096 177.759 176.519 0.240 0.000 1.219 659 W CA 1.064 58.442 57.345 0.054 0.000 1.220 659 W CB 0.209 29.652 29.460 -0.028 0.000 1.127 659 W HN 0.715 nan 8.180 nan 0.000 0.556 660 E N -1.019 119.360 120.200 0.298 0.000 2.409 660 E HA -0.185 4.163 4.350 -0.004 0.000 0.198 660 E C 1.234 177.984 176.600 0.251 0.000 1.024 660 E CA 0.688 57.199 56.400 0.184 0.000 0.861 660 E CB -0.209 29.489 29.700 -0.003 0.000 0.788 660 E HN 0.382 nan 8.360 nan 0.000 0.521 661 Y N -1.487 118.904 120.300 0.152 0.000 2.510 661 Y HA 0.061 4.609 4.550 -0.004 0.000 0.273 661 Y C 0.765 176.769 175.900 0.173 0.000 1.119 661 Y CA -0.352 57.810 58.100 0.103 0.000 1.286 661 Y CB -0.366 38.101 38.460 0.012 0.000 1.061 661 Y HN 0.017 nan 8.280 nan 0.000 0.542 662 Y N 2.016 122.479 120.300 0.272 0.000 2.340 662 Y HA 0.267 4.815 4.550 -0.004 0.000 0.327 662 Y C 0.385 176.511 175.900 0.376 0.000 1.321 662 Y CA -1.918 56.351 58.100 0.281 0.000 1.433 662 Y CB 0.300 38.959 38.460 0.333 0.000 1.373 662 Y HN 0.199 nan 8.280 nan 0.000 0.538 663 D N -0.589 119.520 120.400 -0.485 0.000 2.382 663 D HA 0.098 4.736 4.640 -0.004 0.000 0.240 663 D C 0.963 177.260 176.300 -0.004 0.000 1.146 663 D CA 0.355 54.178 54.000 -0.295 0.000 0.897 663 D CB 0.910 41.315 40.800 -0.659 0.000 1.197 663 D HN 0.482 nan 8.370 nan 0.000 0.432 664 S N 1.181 116.880 115.700 -0.001 0.000 2.359 664 S HA -0.229 4.238 4.470 -0.004 0.000 0.224 664 S C 1.896 176.534 174.600 0.063 0.000 1.035 664 S CA 1.254 59.501 58.200 0.078 0.000 1.018 664 S CB -1.033 62.212 63.200 0.075 0.000 0.876 664 S HN 0.441 nan 8.310 nan 0.000 0.448 665 V N 0.860 120.753 119.914 -0.034 0.000 2.255 665 V HA -0.178 3.940 4.120 -0.004 0.000 0.247 665 V C 2.337 178.373 176.094 -0.096 0.000 1.051 665 V CA 2.270 64.473 62.300 -0.162 0.000 1.018 665 V CB -1.187 30.397 31.823 -0.399 0.000 0.641 665 V HN 0.602 nan 8.190 nan 0.000 0.445 666 Y N 1.420 121.684 120.300 -0.061 0.000 2.133 666 Y HA -0.221 4.327 4.550 -0.004 0.000 0.287 666 Y C 2.734 178.658 175.900 0.040 0.000 1.134 666 Y CA 2.299 60.438 58.100 0.066 0.000 1.133 666 Y CB -0.630 38.057 38.460 0.378 0.000 0.987 666 Y HN 0.229 nan 8.280 nan 0.000 0.502 667 T N 0.389 115.196 114.554 0.422 0.000 2.674 667 T HA -0.206 4.142 4.350 -0.004 0.000 0.265 667 T C 1.547 176.249 174.700 0.003 0.000 1.039 667 T CA 1.955 64.222 62.100 0.278 0.000 1.150 667 T CB -0.336 68.841 68.868 0.515 0.000 0.864 667 T HN 0.447 nan 8.240 nan 0.000 0.427 668 E N 0.538 120.761 120.200 0.039 0.000 2.268 668 E HA -0.085 4.262 4.350 -0.004 0.000 0.195 668 E C 2.319 178.810 176.600 -0.182 0.000 0.995 668 E CA 0.436 56.844 56.400 0.013 0.000 0.836 668 E CB -0.115 29.635 29.700 0.082 0.000 0.763 668 E HN 0.330 nan 8.360 nan 0.000 0.491 669 R N 0.036 120.263 120.500 -0.456 0.000 2.105 669 R HA -0.185 4.153 4.340 -0.004 0.000 0.239 669 R C 1.248 177.020 176.300 -0.881 0.000 1.135 669 R CA 1.574 57.211 56.100 -0.771 0.000 0.967 669 R CB 0.018 29.508 30.300 -1.350 0.000 0.861 669 R HN 0.228 nan 8.270 nan 0.000 0.442 670 Y N -2.199 117.805 120.300 -0.494 0.000 2.524 670 Y HA 0.212 4.760 4.550 -0.004 0.000 0.270 670 Y C 1.754 177.482 175.900 -0.286 0.000 1.094 670 Y CA 0.109 57.923 58.100 -0.477 0.000 1.276 670 Y CB 0.326 38.369 38.460 -0.694 0.000 1.130 670 Y HN -0.050 nan 8.280 nan 0.000 0.536 671 M N -0.256 119.239 119.600 -0.174 0.000 2.337 671 M HA 0.350 4.828 4.480 -0.004 0.000 0.256 671 M C 1.035 177.345 176.300 0.016 0.000 1.075 671 M CA 0.793 55.981 55.300 -0.186 0.000 1.024 671 M CB -0.412 31.860 32.600 -0.547 0.000 1.429 671 M HN 0.359 nan 8.290 nan 0.000 0.497 672 G N 1.924 110.755 108.800 0.053 0.000 2.645 672 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.239 672 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.239 672 G C -0.517 174.532 174.900 0.249 0.000 1.331 672 G CA -0.761 44.411 45.100 0.120 0.000 0.890 672 G HN 0.357 nan 8.290 nan 0.000 0.572 673 L N 1.945 123.280 121.223 0.188 0.000 2.334 673 L HA 0.412 4.750 4.340 -0.004 0.000 0.277 673 L C -1.322 175.573 176.870 0.042 0.000 1.075 673 L CA -1.743 53.167 54.840 0.116 0.000 0.804 673 L CB 1.814 43.899 42.059 0.043 0.000 1.174 673 L HN 0.457 nan 8.230 nan 0.000 0.438 674 P HA 0.043 nan 4.420 nan 0.000 0.228 674 P C -0.413 176.762 177.300 -0.208 0.000 1.748 674 P CA -0.085 62.657 63.100 -0.597 0.000 0.909 674 P CB -0.521 30.522 31.700 -1.095 0.000 1.882 675 T N -3.138 111.376 114.554 -0.066 0.000 2.932 675 T HA 0.447 4.795 4.350 -0.004 0.000 0.289 675 T C -1.880 172.826 174.700 0.011 0.000 1.039 675 T CA -2.423 59.660 62.100 -0.028 0.000 1.024 675 T CB 1.969 70.828 68.868 -0.016 0.000 1.090 675 T HN -0.207 nan 8.240 nan 0.000 0.496 676 P HA -0.097 nan 4.420 nan 0.000 0.218 676 P C 0.701 178.019 177.300 0.030 0.000 1.148 676 P CA 1.220 64.334 63.100 0.024 0.000 0.822 676 P CB 0.123 31.832 31.700 0.016 0.000 0.784 677 E N -0.991 119.223 120.200 0.022 0.000 2.482 677 E HA -0.062 4.285 4.350 -0.004 0.000 0.196 677 E C 1.420 178.040 176.600 0.033 0.000 1.047 677 E CA 0.612 57.026 56.400 0.023 0.000 0.869 677 E CB -0.255 29.453 29.700 0.014 0.000 0.836 677 E HN 0.327 nan 8.360 nan 0.000 0.520 678 D N -0.667 119.761 120.400 0.047 0.000 3.051 678 D HA 0.069 4.707 4.640 -0.004 0.000 0.216 678 D C 0.239 176.599 176.300 0.100 0.000 1.454 678 D CA 0.124 54.164 54.000 0.066 0.000 1.400 678 D CB 0.038 40.881 40.800 0.071 0.000 0.975 678 D HN -0.047 nan 8.370 nan 0.000 0.212 679 N N 0.037 118.833 118.700 0.160 0.000 2.305 679 N HA 0.095 4.833 4.740 -0.004 0.000 0.248 679 N C 1.050 176.767 175.510 0.345 0.000 1.290 679 N CA -0.091 53.099 53.050 0.234 0.000 0.873 679 N CB 0.265 38.903 38.487 0.252 0.000 1.261 679 N HN 0.094 nan 8.380 nan 0.000 0.504 680 L N 0.537 121.891 121.223 0.218 0.000 2.043 680 L HA -0.141 4.197 4.340 -0.004 0.000 0.212 680 L C 1.370 178.358 176.870 0.197 0.000 1.075 680 L CA 1.999 56.943 54.840 0.173 0.000 0.752 680 L CB -0.429 41.660 42.059 0.050 0.000 0.891 680 L HN 0.187 nan 8.230 nan 0.000 0.432 681 D N -1.487 119.005 120.400 0.153 0.000 2.123 681 D HA -0.263 4.375 4.640 -0.004 0.000 0.196 681 D C 2.020 178.409 176.300 0.148 0.000 0.992 681 D CA 1.761 55.837 54.000 0.126 0.000 0.833 681 D CB -0.122 40.740 40.800 0.103 0.000 0.954 681 D HN 0.577 nan 8.370 nan 0.000 0.455 682 H N -0.601 118.531 119.070 0.103 0.000 2.423 682 H HA -0.097 4.457 4.556 -0.004 0.000 0.297 682 H C 1.716 177.101 175.328 0.095 0.000 1.075 682 H CA 1.281 57.365 56.048 0.059 0.000 1.342 682 H CB -0.309 29.449 29.762 -0.007 0.000 1.395 682 H HN 0.157 nan 8.280 nan 0.000 0.530 683 Y N 0.174 120.463 120.300 -0.019 0.000 2.207 683 Y HA -0.164 4.384 4.550 -0.004 0.000 0.287 683 Y C 2.314 178.183 175.900 -0.052 0.000 1.156 683 Y CA 1.421 59.517 58.100 -0.006 0.000 1.182 683 Y CB 0.154 38.644 38.460 0.050 0.000 0.979 683 Y HN 0.124 nan 8.280 nan 0.000 0.521 684 R N -0.432 120.140 120.500 0.119 0.000 2.200 684 R HA -0.049 4.288 4.340 -0.004 0.000 0.208 684 R C 1.466 177.760 176.300 -0.009 0.000 1.033 684 R CA 0.640 56.764 56.100 0.040 0.000 1.000 684 R CB -0.786 29.538 30.300 0.040 0.000 0.906 684 R HN 0.477 nan 8.270 nan 0.000 0.462 685 N N 0.811 119.483 118.700 -0.046 0.000 2.422 685 N HA -0.055 4.683 4.740 -0.004 0.000 0.181 685 N C 0.091 175.542 175.510 -0.099 0.000 1.080 685 N CA 0.396 53.412 53.050 -0.055 0.000 0.893 685 N CB 0.393 38.872 38.487 -0.013 0.000 0.973 685 N HN 0.076 nan 8.380 nan 0.000 0.456 686 S N -0.223 115.379 115.700 -0.162 0.000 2.561 686 S HA 0.072 4.540 4.470 -0.004 0.000 0.245 686 S C 0.449 175.095 174.600 0.077 0.000 1.001 686 S CA -0.779 57.386 58.200 -0.058 0.000 1.002 686 S CB -0.060 63.056 63.200 -0.140 0.000 0.805 686 S HN 0.172 nan 8.310 nan 0.000 0.458 687 T N -1.613 112.943 114.554 0.003 0.000 2.913 687 T HA 0.514 4.862 4.350 -0.004 0.000 0.287 687 T C 1.294 175.990 174.700 -0.007 0.000 1.008 687 T CA -0.637 61.452 62.100 -0.018 0.000 1.067 687 T CB 1.356 70.177 68.868 -0.077 0.000 0.996 687 T HN -0.044 nan 8.240 nan 0.000 0.513 688 V N 1.827 121.733 119.914 -0.014 0.000 2.379 688 V HA -0.117 4.001 4.120 -0.004 0.000 0.245 688 V C 2.631 178.696 176.094 -0.048 0.000 1.044 688 V CA 1.600 63.881 62.300 -0.031 0.000 1.036 688 V CB -0.928 30.868 31.823 -0.045 0.000 0.664 688 V HN 0.824 nan 8.190 nan 0.000 0.453 689 M N 1.184 120.738 119.600 -0.076 0.000 2.144 689 M HA -0.175 4.303 4.480 -0.004 0.000 0.260 689 M C 2.303 178.574 176.300 -0.048 0.000 1.067 689 M CA 2.207 57.456 55.300 -0.085 0.000 1.095 689 M CB -1.011 31.548 32.600 -0.068 0.000 1.365 689 M HN 0.529 nan 8.290 nan 0.000 0.406 690 S N -0.627 115.057 115.700 -0.027 0.000 2.547 690 S HA -0.062 4.406 4.470 -0.004 0.000 0.235 690 S C 1.665 176.272 174.600 0.012 0.000 0.980 690 S CA 0.653 58.848 58.200 -0.009 0.000 0.941 690 S CB -0.390 62.804 63.200 -0.009 0.000 0.763 690 S HN 0.514 nan 8.310 nan 0.000 0.532 691 R N 0.248 120.771 120.500 0.037 0.000 2.468 691 R HA 0.504 4.842 4.340 -0.004 0.000 0.280 691 R C 2.040 178.457 176.300 0.196 0.000 0.963 691 R CA 0.436 56.588 56.100 0.087 0.000 1.083 691 R CB -0.148 30.197 30.300 0.075 0.000 1.200 691 R HN 0.423 nan 8.270 nan 0.000 0.541 692 A N 1.450 124.327 122.820 0.096 0.000 1.903 692 A HA -0.310 4.008 4.320 -0.004 0.000 0.219 692 A C 2.036 179.714 177.584 0.156 0.000 1.191 692 A CA 2.082 54.149 52.037 0.050 0.000 0.638 692 A CB -0.314 18.646 19.000 -0.066 0.000 0.823 692 A HN 0.322 nan 8.150 nan 0.000 0.451 693 E N 0.490 120.749 120.200 0.098 0.000 2.130 693 E HA -0.195 4.153 4.350 -0.004 0.000 0.196 693 E C 1.643 178.301 176.600 0.098 0.000 0.998 693 E CA 1.688 58.139 56.400 0.084 0.000 0.806 693 E CB -0.276 29.453 29.700 0.049 0.000 0.738 693 E HN 0.598 nan 8.360 nan 0.000 0.459 694 N N -0.521 118.233 118.700 0.089 0.000 2.453 694 N HA -0.104 4.634 4.740 -0.004 0.000 0.183 694 N C 0.927 176.414 175.510 -0.039 0.000 1.041 694 N CA 0.571 53.621 53.050 0.000 0.000 0.900 694 N CB -0.244 38.193 38.487 -0.083 0.000 0.961 694 N HN 0.257 nan 8.380 nan 0.000 0.443 695 F N 1.293 121.201 119.950 -0.071 0.000 2.641 695 F HA 0.027 4.552 4.527 -0.004 0.000 0.298 695 F C 1.940 177.744 175.800 0.007 0.000 1.146 695 F CA 0.556 58.510 58.000 -0.077 0.000 1.464 695 F CB 0.115 39.019 39.000 -0.160 0.000 1.101 695 F HN -0.061 nan 8.300 nan 0.000 0.585 696 K N -0.012 120.485 120.400 0.162 0.000 2.362 696 K HA -0.151 4.167 4.320 -0.004 0.000 0.200 696 K C 1.496 178.154 176.600 0.097 0.000 1.046 696 K CA 0.889 57.254 56.287 0.130 0.000 0.952 696 K CB -0.130 32.427 32.500 0.096 0.000 0.753 696 K HN 0.418 nan 8.250 nan 0.000 0.466 697 Q N 0.248 120.084 119.800 0.059 0.000 2.403 697 Q HA 0.027 4.365 4.340 -0.004 0.000 0.203 697 Q C 0.315 176.352 176.000 0.061 0.000 0.932 697 Q CA 0.062 55.890 55.803 0.043 0.000 0.945 697 Q CB 0.638 29.381 28.738 0.008 0.000 1.045 697 Q HN 0.126 nan 8.270 nan 0.000 0.511 698 V N -3.555 116.412 119.914 0.089 0.000 3.167 698 V HA 0.482 4.600 4.120 -0.004 0.000 0.310 698 V C -1.367 174.869 176.094 0.238 0.000 1.207 698 V CA -1.312 61.069 62.300 0.136 0.000 1.059 698 V CB 2.306 34.179 31.823 0.084 0.000 1.079 698 V HN -0.061 nan 8.190 nan 0.000 0.446 699 E N 1.090 121.465 120.200 0.292 0.000 2.134 699 E HA 0.489 4.837 4.350 -0.004 0.000 0.278 699 E C -1.942 175.043 176.600 0.641 0.000 0.959 699 E CA -0.367 56.283 56.400 0.418 0.000 0.783 699 E CB 1.832 31.705 29.700 0.289 0.000 1.095 699 E HN 0.669 nan 8.360 nan 0.000 0.399 700 Y N 3.421 123.991 120.300 0.449 0.000 2.409 700 Y HA 0.469 5.017 4.550 -0.003 0.000 0.343 700 Y C -1.685 174.278 175.900 0.104 0.000 0.973 700 Y CA -1.482 56.811 58.100 0.322 0.000 1.064 700 Y CB 1.093 39.768 38.460 0.358 0.000 1.207 700 Y HN 0.417 nan 8.280 nan 0.000 0.452 701 L N 7.581 128.514 121.223 -0.483 0.000 2.349 701 L HA 0.612 4.950 4.340 -0.004 0.000 0.278 701 L C -2.191 174.239 176.870 -0.733 0.000 0.996 701 L CA -0.837 53.578 54.840 -0.709 0.000 0.825 701 L CB 1.359 42.708 42.059 -1.183 0.000 1.243 701 L HN 0.646 nan 8.230 nan 0.000 0.412 702 L N 6.617 127.496 121.223 -0.574 0.000 2.313 702 L HA 0.698 5.036 4.340 -0.004 0.000 0.283 702 L C -1.135 175.605 176.870 -0.216 0.000 1.013 702 L CA -0.045 54.506 54.840 -0.482 0.000 0.816 702 L CB 1.222 43.026 42.059 -0.426 0.000 1.236 702 L HN 0.586 nan 8.230 nan 0.000 0.419 703 I N 4.450 124.904 120.570 -0.193 0.000 2.582 703 I HA 0.448 4.616 4.170 -0.004 0.000 0.292 703 I C -1.229 174.861 176.117 -0.046 0.000 1.066 703 I CA -0.712 60.528 61.300 -0.099 0.000 1.053 703 I CB 2.097 40.002 38.000 -0.157 0.000 1.241 703 I HN 0.679 nan 8.210 nan 0.000 0.421 704 H N 2.324 121.429 119.070 0.059 0.000 3.086 704 H HA 0.471 5.025 4.556 -0.004 0.000 0.353 704 H C -0.338 175.208 175.328 0.363 0.000 1.134 704 H CA -0.592 55.539 56.048 0.138 0.000 1.248 704 H CB 2.029 31.808 29.762 0.029 0.000 1.878 704 H HN 0.751 nan 8.280 nan 0.000 0.527 705 G N 1.060 110.198 108.800 0.563 0.000 2.390 705 G HA2 0.190 4.148 3.960 -0.004 0.000 0.270 705 G HA3 0.190 4.148 3.960 -0.004 0.000 0.270 705 G C 1.159 176.348 174.900 0.482 0.000 1.211 705 G CA 0.141 45.535 45.100 0.491 0.000 0.842 705 G HN 0.753 nan 8.290 nan 0.000 0.519 706 T N -0.669 114.035 114.554 0.251 0.000 3.035 706 T HA 0.080 4.427 4.350 -0.004 0.000 0.268 706 T C 1.681 176.371 174.700 -0.016 0.000 1.109 706 T CA 1.264 63.331 62.100 -0.056 0.000 1.119 706 T CB 0.154 68.898 68.868 -0.207 0.000 0.900 706 T HN 0.681 nan 8.240 nan 0.000 0.503 707 A N 1.015 123.900 122.820 0.109 0.000 2.684 707 A HA 0.305 4.623 4.320 -0.004 0.000 0.288 707 A C 0.402 177.969 177.584 -0.029 0.000 1.337 707 A CA -0.515 51.559 52.037 0.061 0.000 0.946 707 A CB -0.295 18.990 19.000 0.475 0.000 1.093 707 A HN 0.389 nan 8.150 nan 0.000 0.543 708 D N 1.546 121.957 120.400 0.019 0.000 2.346 708 D HA -0.008 4.630 4.640 -0.004 0.000 0.260 708 D C 0.304 176.588 176.300 -0.027 0.000 1.252 708 D CA 0.150 54.251 54.000 0.169 0.000 0.895 708 D CB 0.695 41.746 40.800 0.419 0.000 1.097 708 D HN 0.571 nan 8.370 nan 0.000 0.489 709 D N 2.359 122.793 120.400 0.057 0.000 2.348 709 D HA -0.129 4.509 4.640 -0.004 0.000 0.211 709 D C 0.930 177.221 176.300 -0.015 0.000 0.998 709 D CA -0.093 53.895 54.000 -0.020 0.000 0.873 709 D CB 0.460 41.206 40.800 -0.089 0.000 0.925 709 D HN 0.229 nan 8.370 nan 0.000 0.524 710 N N 0.816 119.589 118.700 0.122 0.000 2.418 710 N HA -0.041 4.697 4.740 -0.004 0.000 0.199 710 N C -0.070 175.372 175.510 -0.113 0.000 1.044 710 N CA 0.489 53.642 53.050 0.171 0.000 0.943 710 N CB 0.546 39.146 38.487 0.189 0.000 1.154 710 N HN -0.100 nan 8.380 nan 0.000 0.467 711 V N 3.921 123.789 119.914 -0.077 0.000 2.304 711 V HA 0.201 4.319 4.120 -0.004 0.000 0.269 711 V C -0.636 175.490 176.094 0.054 0.000 1.036 711 V CA -0.691 61.601 62.300 -0.014 0.000 0.840 711 V CB 0.213 32.088 31.823 0.086 0.000 1.036 711 V HN 0.302 nan 8.190 nan 0.000 0.466 712 H N 3.627 122.683 119.070 -0.023 0.000 2.897 712 H HA 0.006 4.560 4.556 -0.004 0.000 0.347 712 H C 0.880 176.067 175.328 -0.234 0.000 1.068 712 H CA -0.228 55.724 56.048 -0.161 0.000 1.426 712 H CB 0.519 30.100 29.762 -0.302 0.000 1.410 712 H HN 0.644 nan 8.280 nan 0.000 0.597 713 F N 2.158 121.898 119.950 -0.349 0.000 2.225 713 F HA -0.295 4.230 4.527 -0.004 0.000 0.302 713 F C 2.546 178.072 175.800 -0.457 0.000 1.068 713 F CA 1.868 59.450 58.000 -0.697 0.000 1.327 713 F CB -0.038 38.737 39.000 -0.375 0.000 1.043 713 F HN 0.657 nan 8.300 nan 0.000 0.506 714 Q N 0.175 119.857 119.800 -0.197 0.000 2.173 714 Q HA -0.304 4.034 4.340 -0.004 0.000 0.208 714 Q C 2.040 177.827 176.000 -0.354 0.000 0.989 714 Q CA 2.188 57.823 55.803 -0.280 0.000 0.872 714 Q CB -0.344 28.184 28.738 -0.349 0.000 0.909 714 Q HN 0.593 nan 8.270 nan 0.000 0.420 715 Q N -0.312 119.324 119.800 -0.272 0.000 2.084 715 Q HA -0.112 4.226 4.340 -0.004 0.000 0.202 715 Q C 2.196 178.113 176.000 -0.139 0.000 0.978 715 Q CA 1.705 57.465 55.803 -0.072 0.000 0.844 715 Q CB -0.055 28.710 28.738 0.045 0.000 0.898 715 Q HN 0.330 nan 8.270 nan 0.000 0.426 716 S N 0.545 116.047 115.700 -0.330 0.000 2.446 716 S HA 0.042 4.510 4.470 -0.004 0.000 0.225 716 S C 1.995 176.351 174.600 -0.407 0.000 1.016 716 S CA 0.607 58.611 58.200 -0.327 0.000 0.943 716 S CB 0.009 63.004 63.200 -0.342 0.000 0.786 716 S HN 0.448 nan 8.310 nan 0.000 0.508 717 A N 1.414 123.913 122.820 -0.535 0.000 1.933 717 A HA -0.118 4.200 4.320 -0.004 0.000 0.218 717 A C 2.122 179.615 177.584 -0.151 0.000 1.175 717 A CA 1.101 52.954 52.037 -0.307 0.000 0.628 717 A CB -0.370 18.517 19.000 -0.189 0.000 0.814 717 A HN 0.343 nan 8.150 nan 0.000 0.444 718 Q N -0.529 119.196 119.800 -0.125 0.000 2.187 718 Q HA 0.028 4.366 4.340 -0.004 0.000 0.199 718 Q C 2.094 178.047 176.000 -0.077 0.000 0.957 718 Q CA 0.892 56.671 55.803 -0.040 0.000 0.857 718 Q CB -0.272 28.523 28.738 0.095 0.000 0.929 718 Q HN 0.775 nan 8.270 nan 0.000 0.453 719 I N 1.089 121.584 120.570 -0.125 0.000 2.202 719 I HA -0.271 3.897 4.170 -0.004 0.000 0.242 719 I C 2.511 178.465 176.117 -0.271 0.000 1.091 719 I CA 1.456 62.635 61.300 -0.202 0.000 1.368 719 I CB -0.365 37.517 38.000 -0.198 0.000 1.058 719 I HN 0.180 nan 8.210 nan 0.000 0.410 720 S N 0.766 116.335 115.700 -0.219 0.000 2.382 720 S HA -0.269 4.199 4.470 -0.004 0.000 0.228 720 S C 2.023 176.601 174.600 -0.038 0.000 1.027 720 S CA 1.406 59.513 58.200 -0.155 0.000 0.991 720 S CB -0.411 62.856 63.200 0.112 0.000 0.823 720 S HN 0.370 nan 8.310 nan 0.000 0.469 721 K N 1.643 122.021 120.400 -0.036 0.000 2.097 721 K HA 0.082 4.399 4.320 -0.004 0.000 0.205 721 K C 2.267 178.850 176.600 -0.027 0.000 1.050 721 K CA 1.083 57.367 56.287 -0.005 0.000 0.938 721 K CB -0.648 31.847 32.500 -0.007 0.000 0.718 721 K HN 0.447 nan 8.250 nan 0.000 0.442 722 A N 0.939 123.713 122.820 -0.077 0.000 1.930 722 A HA -0.083 4.235 4.320 -0.004 0.000 0.217 722 A C 2.050 179.573 177.584 -0.103 0.000 1.175 722 A CA 1.154 53.140 52.037 -0.086 0.000 0.627 722 A CB -0.504 18.425 19.000 -0.118 0.000 0.815 722 A HN 0.308 nan 8.150 nan 0.000 0.443 723 L N -0.754 120.363 121.223 -0.177 0.000 2.072 723 L HA -0.120 4.218 4.340 -0.004 0.000 0.205 723 L C 2.500 179.397 176.870 0.045 0.000 1.079 723 L CA 0.853 55.597 54.840 -0.160 0.000 0.752 723 L CB -0.541 41.245 42.059 -0.455 0.000 0.906 723 L HN 0.229 nan 8.230 nan 0.000 0.436 724 V N -0.118 119.859 119.914 0.106 0.000 2.343 724 V HA -0.286 3.832 4.120 -0.004 0.000 0.247 724 V C 1.959 178.096 176.094 0.071 0.000 1.051 724 V CA 1.903 64.284 62.300 0.135 0.000 1.036 724 V CB -0.515 31.386 31.823 0.129 0.000 0.654 724 V HN 0.408 nan 8.190 nan 0.000 0.451 725 D N 0.241 120.664 120.400 0.038 0.000 2.263 725 D HA -0.113 4.524 4.640 -0.004 0.000 0.208 725 D C 1.716 178.032 176.300 0.027 0.000 0.971 725 D CA 1.564 55.580 54.000 0.026 0.000 0.867 725 D CB -0.102 40.705 40.800 0.011 0.000 0.929 725 D HN 0.553 nan 8.370 nan 0.000 0.492 726 V N -4.061 115.871 119.914 0.029 0.000 3.542 726 V HA 0.495 4.613 4.120 -0.004 0.000 0.296 726 V C 1.261 177.388 176.094 0.054 0.000 1.364 726 V CA 0.217 62.538 62.300 0.035 0.000 1.118 726 V CB -0.114 31.727 31.823 0.030 0.000 0.972 726 V HN 0.135 nan 8.190 nan 0.000 0.430 727 G N 0.571 109.411 108.800 0.067 0.000 2.225 727 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.264 727 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.264 727 G C -0.108 174.858 174.900 0.109 0.000 1.060 727 G CA 0.202 45.351 45.100 0.081 0.000 0.833 727 G HN 0.833 nan 8.290 nan 0.000 0.498 728 V N 0.440 120.440 119.914 0.144 0.000 2.394 728 V HA 0.480 4.597 4.120 -0.004 0.000 0.282 728 V C 0.399 176.681 176.094 0.314 0.000 1.031 728 V CA -0.547 61.870 62.300 0.195 0.000 0.881 728 V CB 1.752 33.677 31.823 0.170 0.000 0.982 728 V HN 0.436 nan 8.190 nan 0.000 0.451 729 D N 3.958 124.517 120.400 0.266 0.000 2.264 729 D HA 0.625 5.263 4.640 -0.004 0.000 0.249 729 D C -0.595 175.945 176.300 0.400 0.000 1.070 729 D CA 0.134 54.278 54.000 0.240 0.000 0.912 729 D CB 0.898 41.770 40.800 0.120 0.000 1.193 729 D HN 0.350 nan 8.370 nan 0.000 0.427 730 F N -0.373 119.651 119.950 0.124 0.000 2.817 730 F HA 0.476 5.001 4.527 -0.004 0.000 0.317 730 F C -1.599 174.249 175.800 0.080 0.000 1.168 730 F CA -1.139 56.953 58.000 0.153 0.000 0.911 730 F CB 0.676 39.798 39.000 0.203 0.000 1.337 730 F HN 0.068 nan 8.300 nan 0.000 0.464 731 Q N 1.352 121.214 119.800 0.104 0.000 2.266 731 Q HA 0.836 5.174 4.340 -0.004 0.000 0.261 731 Q C -0.841 175.139 176.000 -0.034 0.000 0.985 731 Q CA -0.757 55.010 55.803 -0.060 0.000 0.873 731 Q CB 2.052 30.781 28.738 -0.015 0.000 1.306 731 Q HN 1.069 nan 8.270 nan 0.000 0.447 732 A N 1.671 124.439 122.820 -0.087 0.000 2.556 732 A HA 0.872 5.189 4.320 -0.004 0.000 0.294 732 A C -1.318 176.198 177.584 -0.113 0.000 1.091 732 A CA -0.595 51.427 52.037 -0.026 0.000 0.704 732 A CB 1.961 21.016 19.000 0.092 0.000 1.300 732 A HN 0.626 nan 8.150 nan 0.000 0.406 733 M N 1.311 120.832 119.600 -0.132 0.000 2.274 733 M HA 0.578 5.056 4.480 -0.004 0.000 0.272 733 M C -2.034 174.132 176.300 -0.222 0.000 1.053 733 M CA -0.491 54.589 55.300 -0.368 0.000 0.978 733 M CB 1.117 33.392 32.600 -0.542 0.000 1.836 733 M HN 0.966 nan 8.290 nan 0.000 0.484 734 W N 4.246 125.388 121.300 -0.264 0.000 2.516 734 W HA 0.786 5.444 4.660 -0.004 0.000 0.343 734 W C -2.052 174.205 176.519 -0.437 0.000 1.094 734 W CA -0.876 56.401 57.345 -0.115 0.000 1.250 734 W CB 0.414 29.864 29.460 -0.017 0.000 1.308 734 W HN 0.609 nan 8.180 nan 0.000 0.588 735 Y N 2.224 122.668 120.300 0.241 0.000 2.376 735 Y HA 0.303 4.851 4.550 -0.004 0.000 0.326 735 Y C 0.491 176.518 175.900 0.211 0.000 0.970 735 Y CA -1.126 57.030 58.100 0.094 0.000 1.248 735 Y CB 1.415 39.896 38.460 0.036 0.000 1.117 735 Y HN 0.434 nan 8.280 nan 0.000 0.476 736 T N 4.688 119.425 114.554 0.305 0.000 2.866 736 T HA -0.033 4.315 4.350 -0.004 0.000 0.293 736 T C 0.170 174.954 174.700 0.140 0.000 1.005 736 T CA 0.714 62.934 62.100 0.200 0.000 1.162 736 T CB -0.147 68.783 68.868 0.102 0.000 0.968 736 T HN 0.702 nan 8.240 nan 0.000 0.530 737 D N 0.905 121.363 120.400 0.097 0.000 3.077 737 D HA -0.125 4.513 4.640 -0.004 0.000 0.217 737 D C 0.259 176.705 176.300 0.244 0.000 1.162 737 D CA 1.135 55.149 54.000 0.024 0.000 0.943 737 D CB -0.394 40.216 40.800 -0.317 0.000 1.122 737 D HN 0.539 nan 8.370 nan 0.000 0.413 738 E N 0.809 121.167 120.200 0.264 0.000 2.277 738 E HA 0.347 4.695 4.350 -0.004 0.000 0.274 738 E C 0.761 177.552 176.600 0.318 0.000 1.022 738 E CA -0.331 56.240 56.400 0.285 0.000 0.853 738 E CB 1.222 31.082 29.700 0.266 0.000 1.086 738 E HN 0.331 nan 8.360 nan 0.000 0.397 739 D N -0.420 120.176 120.400 0.327 0.000 2.541 739 D HA 0.002 4.640 4.640 -0.004 0.000 0.276 739 D C 1.064 177.596 176.300 0.387 0.000 1.190 739 D CA -0.185 54.030 54.000 0.358 0.000 1.095 739 D CB -0.213 40.821 40.800 0.390 0.000 1.173 739 D HN 0.423 nan 8.370 nan 0.000 0.604 740 H N -1.675 117.581 119.070 0.311 0.000 2.489 740 H HA 0.107 4.661 4.556 -0.004 0.000 0.293 740 H C 1.821 177.409 175.328 0.432 0.000 1.066 740 H CA 2.035 58.288 56.048 0.341 0.000 1.305 740 H CB -0.306 29.643 29.762 0.313 0.000 1.386 740 H HN 0.478 nan 8.280 nan 0.000 0.551 741 G N -0.469 108.516 108.800 0.309 0.000 2.838 741 G HA2 0.043 4.000 3.960 -0.004 0.000 0.210 741 G HA3 0.043 4.000 3.960 -0.004 0.000 0.210 741 G C 0.620 175.701 174.900 0.301 0.000 1.153 741 G CA 0.208 45.418 45.100 0.184 0.000 0.778 741 G HN 0.495 nan 8.290 nan 0.000 0.539 742 I N 0.243 121.013 120.570 0.333 0.000 3.859 742 I HA -0.336 3.832 4.170 -0.004 0.000 0.126 742 I C 1.572 177.824 176.117 0.225 0.000 1.065 742 I CA 0.201 61.650 61.300 0.250 0.000 2.735 742 I CB -1.072 37.058 38.000 0.217 0.000 1.465 742 I HN 0.265 nan 8.210 nan 0.000 0.341 743 A N 1.272 124.199 122.820 0.177 0.000 2.348 743 A HA 0.266 4.584 4.320 -0.004 0.000 0.224 743 A C 1.184 178.824 177.584 0.093 0.000 1.227 743 A CA 0.535 52.645 52.037 0.122 0.000 0.885 743 A CB 0.127 19.162 19.000 0.058 0.000 0.933 743 A HN 0.644 nan 8.150 nan 0.000 0.506 744 S N -0.326 115.442 115.700 0.113 0.000 2.573 744 S HA 0.138 4.606 4.470 -0.004 0.000 0.277 744 S C 1.251 175.907 174.600 0.093 0.000 1.346 744 S CA 0.382 58.640 58.200 0.096 0.000 1.034 744 S CB 1.055 64.319 63.200 0.108 0.000 0.879 744 S HN 0.534 nan 8.310 nan 0.000 0.528 745 S N 2.134 117.874 115.700 0.066 0.000 2.365 745 S HA -0.192 4.276 4.470 -0.004 0.000 0.225 745 S C 2.096 176.755 174.600 0.099 0.000 1.039 745 S CA 2.334 60.574 58.200 0.066 0.000 1.033 745 S CB -1.621 61.600 63.200 0.035 0.000 0.887 745 S HN 1.066 nan 8.310 nan 0.000 0.447 746 T N -0.304 114.300 114.554 0.082 0.000 2.777 746 T HA 0.174 4.521 4.350 -0.004 0.000 0.266 746 T C 1.981 176.739 174.700 0.096 0.000 1.040 746 T CA 1.306 63.457 62.100 0.086 0.000 1.141 746 T CB -0.919 67.993 68.868 0.073 0.000 0.868 746 T HN 0.472 nan 8.240 nan 0.000 0.444 747 A N 1.316 124.174 122.820 0.063 0.000 1.930 747 A HA -0.045 4.273 4.320 -0.004 0.000 0.217 747 A C 2.178 179.707 177.584 -0.090 0.000 1.175 747 A CA 1.891 53.893 52.037 -0.058 0.000 0.627 747 A CB -1.181 17.758 19.000 -0.102 0.000 0.815 747 A HN 0.768 nan 8.150 nan 0.000 0.443 748 H N -0.059 118.992 119.070 -0.031 0.000 2.319 748 H HA -0.144 4.409 4.556 -0.004 0.000 0.299 748 H C 2.100 177.483 175.328 0.091 0.000 1.092 748 H CA 2.359 58.438 56.048 0.052 0.000 1.302 748 H CB -0.209 29.590 29.762 0.061 0.000 1.373 748 H HN 0.564 nan 8.280 nan 0.000 0.497 749 Q N -0.978 118.832 119.800 0.017 0.000 2.124 749 Q HA -0.194 4.144 4.340 -0.004 0.000 0.202 749 Q C 2.202 178.186 176.000 -0.028 0.000 0.977 749 Q CA 1.342 57.118 55.803 -0.046 0.000 0.850 749 Q CB -0.187 28.564 28.738 0.022 0.000 0.901 749 Q HN 0.642 nan 8.270 nan 0.000 0.429 750 H N 0.764 119.801 119.070 -0.056 0.000 2.357 750 H HA -0.052 4.502 4.556 -0.004 0.000 0.301 750 H C 1.995 177.312 175.328 -0.020 0.000 1.082 750 H CA 1.222 57.273 56.048 0.005 0.000 1.342 750 H CB 0.001 29.825 29.762 0.103 0.000 1.389 750 H HN 0.279 nan 8.280 nan 0.000 0.511 751 I N 0.067 120.598 120.570 -0.064 0.000 2.252 751 I HA -0.308 3.860 4.170 -0.004 0.000 0.245 751 I C 1.738 177.634 176.117 -0.368 0.000 1.102 751 I CA 1.157 62.336 61.300 -0.201 0.000 1.385 751 I CB -0.265 37.408 38.000 -0.544 0.000 1.064 751 I HN 0.120 nan 8.210 nan 0.000 0.414 752 Y N 0.983 121.068 120.300 -0.359 0.000 2.293 752 Y HA -0.186 4.361 4.550 -0.004 0.000 0.291 752 Y C 2.706 178.397 175.900 -0.348 0.000 1.137 752 Y CA 1.787 59.567 58.100 -0.533 0.000 1.202 752 Y CB -0.803 37.334 38.460 -0.539 0.000 0.990 752 Y HN 0.151 nan 8.280 nan 0.000 0.537 753 T N -1.687 112.785 114.554 -0.136 0.000 2.737 753 T HA -0.223 4.125 4.350 -0.004 0.000 0.265 753 T C 1.564 176.122 174.700 -0.237 0.000 1.038 753 T CA 1.829 63.804 62.100 -0.207 0.000 1.144 753 T CB -0.446 68.297 68.868 -0.208 0.000 0.866 753 T HN 0.403 nan 8.240 nan 0.000 0.434 754 H N 0.787 119.723 119.070 -0.224 0.000 2.353 754 H HA 0.089 4.643 4.556 -0.004 0.000 0.300 754 H C 2.180 177.489 175.328 -0.032 0.000 1.090 754 H CA 1.606 57.598 56.048 -0.092 0.000 1.327 754 H CB -0.232 29.492 29.762 -0.064 0.000 1.383 754 H HN 0.248 nan 8.280 nan 0.000 0.508 755 M N -0.927 118.627 119.600 -0.077 0.000 2.175 755 M HA -0.155 4.323 4.480 -0.004 0.000 0.264 755 M C 2.408 178.838 176.300 0.217 0.000 1.063 755 M CA 1.407 56.676 55.300 -0.053 0.000 1.119 755 M CB 0.078 32.407 32.600 -0.453 0.000 1.377 755 M HN 0.206 nan 8.290 nan 0.000 0.415 756 S N -0.615 115.227 115.700 0.236 0.000 2.368 756 S HA -0.158 4.310 4.470 -0.004 0.000 0.225 756 S C 1.675 176.366 174.600 0.152 0.000 1.030 756 S CA 1.032 59.447 58.200 0.359 0.000 0.999 756 S CB -0.548 62.841 63.200 0.314 0.000 0.844 756 S HN 0.466 nan 8.310 nan 0.000 0.459 757 H N -0.040 119.088 119.070 0.097 0.000 2.321 757 H HA -0.031 4.523 4.556 -0.004 0.000 0.300 757 H C 1.973 177.309 175.328 0.014 0.000 1.087 757 H CA 1.277 57.338 56.048 0.021 0.000 1.319 757 H CB -0.848 28.875 29.762 -0.064 0.000 1.379 757 H HN 0.437 nan 8.280 nan 0.000 0.501 758 F N 1.364 121.309 119.950 -0.009 0.000 2.095 758 F HA -0.204 4.321 4.527 -0.004 0.000 0.298 758 F C 2.291 178.056 175.800 -0.058 0.000 1.104 758 F CA 0.975 58.945 58.000 -0.051 0.000 1.232 758 F CB -0.324 38.632 39.000 -0.075 0.000 0.987 758 F HN -0.031 nan 8.300 nan 0.000 0.475 759 I N 0.600 121.173 120.570 0.004 0.000 2.179 759 I HA -0.272 3.896 4.170 -0.004 0.000 0.242 759 I C 2.283 178.199 176.117 -0.335 0.000 1.088 759 I CA 1.482 62.617 61.300 -0.276 0.000 1.357 759 I CB -1.323 36.584 38.000 -0.156 0.000 1.051 759 I HN 0.211 nan 8.210 nan 0.000 0.409 760 K N 0.178 120.525 120.400 -0.088 0.000 2.063 760 K HA -0.230 4.088 4.320 -0.004 0.000 0.208 760 K C 2.107 178.695 176.600 -0.019 0.000 1.048 760 K CA 1.180 57.469 56.287 0.003 0.000 0.928 760 K CB -0.218 32.339 32.500 0.096 0.000 0.713 760 K HN 0.343 nan 8.250 nan 0.000 0.442 761 Q N 1.029 120.782 119.800 -0.079 0.000 2.046 761 Q HA -0.168 4.170 4.340 -0.004 0.000 0.200 761 Q C 2.153 178.067 176.000 -0.144 0.000 0.975 761 Q CA 1.600 57.345 55.803 -0.097 0.000 0.836 761 Q CB -0.414 28.253 28.738 -0.119 0.000 0.896 761 Q HN 0.353 nan 8.270 nan 0.000 0.428 762 c N 0.465 118.872 118.600 -0.321 0.000 2.422 762 c HA -0.097 4.470 4.570 -0.004 0.000 0.279 762 c C 2.090 176.213 174.090 0.055 0.000 1.305 762 c CA 0.350 56.515 56.329 -0.274 0.000 1.757 762 c CB -1.206 40.977 42.510 -0.545 0.000 1.962 762 c HN 0.437 nan 8.230 nan 0.000 0.499 763 F N 1.047 120.955 119.950 -0.069 0.000 2.693 763 F HA 0.167 4.691 4.527 -0.004 0.000 0.303 763 F C 1.469 177.255 175.800 -0.023 0.000 1.097 763 F CA -0.136 57.846 58.000 -0.030 0.000 1.330 763 F CB -1.269 37.721 39.000 -0.017 0.000 1.067 763 F HN 0.088 nan 8.300 nan 0.000 0.565 764 S N 1.047 116.832 115.700 0.142 0.000 3.706 764 S HA -0.154 4.314 4.470 -0.004 0.000 0.363 764 S C 0.100 174.747 174.600 0.080 0.000 0.999 764 S CA -0.011 58.236 58.200 0.077 0.000 1.143 764 S CB -1.531 61.704 63.200 0.058 0.000 0.902 764 S HN 0.135 nan 8.310 nan 0.000 0.476 765 L N 1.104 122.384 121.223 0.094 0.000 2.828 765 L HA 0.330 4.668 4.340 -0.004 0.000 0.233 765 L C -1.570 175.344 176.870 0.072 0.000 1.250 765 L CA -1.036 53.857 54.840 0.088 0.000 1.125 765 L CB -0.500 41.630 42.059 0.118 0.000 1.432 765 L HN 0.163 nan 8.230 nan 0.000 0.444 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.131 63.100 0.052 0.000 0.800 766 P CB 0.000 31.720 31.700 0.034 0.000 0.726