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 3bjm_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.637 174.600 0.062 0.000 1.055 39 S CA 0.000 58.228 58.200 0.047 0.000 1.107 39 S CB 0.000 63.224 63.200 0.040 0.000 0.593 40 R N 3.459 124.003 120.500 0.073 0.000 2.623 40 R HA 0.251 4.591 4.340 -0.000 0.000 0.271 40 R C 0.227 176.583 176.300 0.095 0.000 1.043 40 R CA 0.256 56.406 56.100 0.084 0.000 1.083 40 R CB 0.206 30.560 30.300 0.089 0.000 0.974 40 R HN 0.412 nan 8.270 nan 0.000 0.436 41 K N 0.594 121.055 120.400 0.101 0.000 2.180 41 K HA 0.124 4.444 4.320 -0.000 0.000 0.251 41 K C 0.238 176.913 176.600 0.125 0.000 1.014 41 K CA -0.560 55.794 56.287 0.113 0.000 0.913 41 K CB 0.728 33.304 32.500 0.125 0.000 1.008 41 K HN 0.418 nan 8.250 nan 0.000 0.490 42 T N -0.361 114.274 114.554 0.135 0.000 2.862 42 T HA 0.116 4.466 4.350 -0.000 0.000 0.276 42 T C -1.219 173.609 174.700 0.214 0.000 0.974 42 T CA -0.692 61.502 62.100 0.156 0.000 0.966 42 T CB 0.301 69.257 68.868 0.146 0.000 1.072 42 T HN 0.485 nan 8.240 nan 0.000 0.538 43 Y N 2.776 123.141 120.300 0.108 0.000 2.477 43 Y HA 0.398 4.948 4.550 -0.000 0.000 0.349 43 Y C 0.766 176.822 175.900 0.260 0.000 0.977 43 Y CA -0.584 57.611 58.100 0.159 0.000 1.214 43 Y CB -0.007 38.503 38.460 0.083 0.000 1.124 43 Y HN 0.776 nan 8.280 nan 0.000 0.521 44 T N 2.664 117.183 114.554 -0.057 0.000 2.902 44 T HA 0.134 4.484 4.350 -0.000 0.000 0.280 44 T C 1.023 175.651 174.700 -0.120 0.000 0.992 44 T CA -0.741 61.399 62.100 0.067 0.000 1.015 44 T CB 1.333 70.218 68.868 0.029 0.000 1.044 44 T HN 0.719 nan 8.240 nan 0.000 0.520 45 L N 1.569 122.593 121.223 -0.331 0.000 2.013 45 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 45 L C 2.567 179.303 176.870 -0.225 0.000 1.073 45 L CA 2.290 56.766 54.840 -0.607 0.000 0.753 45 L CB -1.602 39.989 42.059 -0.779 0.000 0.890 45 L HN 0.963 nan 8.230 nan 0.000 0.432 46 T N -0.501 113.950 114.554 -0.172 0.000 2.759 46 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 46 T C 1.507 176.124 174.700 -0.137 0.000 1.042 46 T CA 1.462 63.486 62.100 -0.126 0.000 1.140 46 T CB -0.422 68.395 68.868 -0.085 0.000 0.864 46 T HN 0.427 nan 8.240 nan 0.000 0.455 47 D N 0.097 120.382 120.400 -0.191 0.000 2.117 47 D HA -0.088 4.552 4.640 -0.000 0.000 0.197 47 D C 1.737 177.960 176.300 -0.127 0.000 0.987 47 D CA 0.971 54.834 54.000 -0.228 0.000 0.829 47 D CB -0.353 40.210 40.800 -0.394 0.000 0.961 47 D HN 0.428 nan 8.370 nan 0.000 0.460 48 Y N 1.153 121.298 120.300 -0.259 0.000 2.163 48 Y HA -0.148 4.402 4.550 -0.000 0.000 0.288 48 Y C 1.987 177.889 175.900 0.003 0.000 1.136 48 Y CA 0.942 59.048 58.100 0.010 0.000 1.147 48 Y CB -0.472 38.036 38.460 0.081 0.000 0.987 48 Y HN -0.145 nan 8.280 nan 0.000 0.509 49 L N 0.486 121.548 121.223 -0.268 0.000 2.093 49 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 49 L C 1.969 178.729 176.870 -0.183 0.000 1.085 49 L CA 1.799 56.437 54.840 -0.336 0.000 0.755 49 L CB -0.735 41.192 42.059 -0.220 0.000 0.904 49 L HN 0.146 nan 8.230 nan 0.000 0.435 50 K N -1.256 119.067 120.400 -0.127 0.000 2.358 50 K HA 0.135 4.454 4.320 -0.000 0.000 0.197 50 K C 0.204 176.762 176.600 -0.070 0.000 1.025 50 K CA 0.089 56.324 56.287 -0.087 0.000 1.104 50 K CB 0.166 32.617 32.500 -0.081 0.000 0.855 50 K HN 0.165 nan 8.250 nan 0.000 0.531 51 N N 0.135 118.805 118.700 -0.051 0.000 2.780 51 N HA -0.176 4.563 4.740 -0.000 0.000 0.248 51 N C 0.200 175.704 175.510 -0.011 0.000 1.102 51 N CA 0.616 53.674 53.050 0.014 0.000 0.697 51 N CB -1.054 37.433 38.487 -0.001 0.000 1.028 51 N HN 0.099 nan 8.380 nan 0.000 0.554 52 T N -0.917 113.578 114.554 -0.099 0.000 2.699 52 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 52 T C 0.344 174.816 174.700 -0.380 0.000 1.036 52 T CA 1.571 63.480 62.100 -0.319 0.000 1.147 52 T CB -0.192 68.329 68.868 -0.579 0.000 0.862 52 T HN 0.373 nan 8.240 nan 0.000 0.446 53 Y N 1.568 121.962 120.300 0.155 0.000 2.417 53 Y HA 0.485 5.035 4.550 -0.000 0.000 0.336 53 Y C 0.437 176.441 175.900 0.174 0.000 0.961 53 Y CA -1.045 57.164 58.100 0.181 0.000 1.215 53 Y CB 0.516 39.136 38.460 0.266 0.000 1.120 53 Y HN -0.142 nan 8.280 nan 0.000 0.499 54 R N 3.330 123.967 120.500 0.229 0.000 2.346 54 R HA 0.503 4.843 4.340 -0.000 0.000 0.311 54 R C -0.878 175.530 176.300 0.180 0.000 0.983 54 R CA -0.873 55.332 56.100 0.176 0.000 0.880 54 R CB 1.414 31.776 30.300 0.104 0.000 1.100 54 R HN 0.617 nan 8.270 nan 0.000 0.453 55 L N 3.625 124.959 121.223 0.185 0.000 2.410 55 L HA 0.171 4.511 4.340 -0.000 0.000 0.273 55 L C 0.555 177.507 176.870 0.135 0.000 1.144 55 L CA 0.158 55.105 54.840 0.177 0.000 0.863 55 L CB 0.314 42.497 42.059 0.206 0.000 1.140 55 L HN 0.347 nan 8.230 nan 0.000 0.463 56 K N 4.392 124.866 120.400 0.123 0.000 2.218 56 K HA 0.513 4.833 4.320 -0.000 0.000 0.276 56 K C -0.506 176.127 176.600 0.056 0.000 1.022 56 K CA -0.430 55.906 56.287 0.082 0.000 0.946 56 K CB 1.202 33.747 32.500 0.075 0.000 1.000 56 K HN 0.445 nan 8.250 nan 0.000 0.468 57 L N 1.662 122.856 121.223 -0.049 0.000 2.335 57 L HA 0.450 4.790 4.340 -0.000 0.000 0.268 57 L C -0.725 175.895 176.870 -0.417 0.000 1.016 57 L CA -1.077 53.611 54.840 -0.254 0.000 0.805 57 L CB 0.695 42.705 42.059 -0.082 0.000 1.311 57 L HN 0.563 nan 8.230 nan 0.000 0.456 58 Y N 0.260 120.041 120.300 -0.864 0.000 2.563 58 Y HA 0.289 4.839 4.550 -0.000 0.000 0.351 58 Y C -0.653 175.085 175.900 -0.269 0.000 1.087 58 Y CA -0.533 57.265 58.100 -0.504 0.000 1.272 58 Y CB 1.201 39.222 38.460 -0.732 0.000 1.095 58 Y HN 0.430 nan 8.280 nan 0.000 0.620 59 S N 6.303 121.934 115.700 -0.116 0.000 2.416 59 S HA 0.519 4.989 4.470 -0.000 0.000 0.287 59 S C -0.397 174.163 174.600 -0.067 0.000 1.139 59 S CA -0.611 57.556 58.200 -0.054 0.000 1.058 59 S CB 0.046 63.225 63.200 -0.034 0.000 0.967 59 S HN 0.633 nan 8.310 nan 0.000 0.495 60 L N 1.752 122.897 121.223 -0.130 0.000 2.319 60 L HA 0.763 5.103 4.340 -0.000 0.000 0.267 60 L C -0.893 175.875 176.870 -0.170 0.000 1.011 60 L CA -1.112 53.597 54.840 -0.218 0.000 0.818 60 L CB 1.678 43.331 42.059 -0.677 0.000 1.316 60 L HN 0.422 nan 8.230 nan 0.000 0.432 61 R N 1.953 122.402 120.500 -0.084 0.000 2.435 61 R HA 0.368 4.708 4.340 -0.000 0.000 0.308 61 R C -1.607 174.735 176.300 0.069 0.000 0.975 61 R CA -0.373 55.741 56.100 0.023 0.000 0.867 61 R CB 1.317 31.684 30.300 0.111 0.000 1.171 61 R HN 0.624 nan 8.270 nan 0.000 0.470 62 W N 3.691 125.095 121.300 0.175 0.000 2.264 62 W HA 0.041 4.700 4.660 -0.000 0.000 0.331 62 W C 1.182 177.786 176.519 0.143 0.000 1.364 62 W CA -0.225 57.234 57.345 0.191 0.000 1.253 62 W CB 0.359 29.932 29.460 0.189 0.000 1.215 62 W HN 0.524 nan 8.180 nan 0.000 0.561 63 I N 2.418 123.202 120.570 0.356 0.000 4.240 63 I HA 0.153 4.323 4.170 -0.000 0.000 0.331 63 I C 0.543 176.767 176.117 0.178 0.000 1.381 63 I CA 0.187 61.604 61.300 0.195 0.000 1.136 63 I CB -0.597 37.441 38.000 0.063 0.000 1.137 63 I HN 0.284 nan 8.210 nan 0.000 0.411 64 S N -0.865 114.983 115.700 0.247 0.000 2.873 64 S HA 0.273 4.743 4.470 -0.000 0.000 0.303 64 S C 0.182 174.934 174.600 0.254 0.000 1.222 64 S CA 0.130 58.461 58.200 0.218 0.000 0.923 64 S CB 0.279 63.599 63.200 0.200 0.000 1.286 64 S HN 0.152 nan 8.310 nan 0.000 0.571 65 D N 0.004 120.567 120.400 0.272 0.000 2.347 65 D HA 0.014 4.654 4.640 -0.000 0.000 0.213 65 D C 0.958 177.495 176.300 0.395 0.000 0.985 65 D CA 1.498 55.641 54.000 0.238 0.000 0.879 65 D CB -0.755 40.157 40.800 0.185 0.000 0.919 65 D HN 0.954 nan 8.370 nan 0.000 0.526 66 H N -2.923 116.301 119.070 0.258 0.000 3.540 66 H HA 0.451 5.007 4.556 -0.000 0.000 0.259 66 H C -0.304 175.161 175.328 0.229 0.000 1.197 66 H CA -0.665 55.533 56.048 0.251 0.000 1.136 66 H CB 0.379 30.278 29.762 0.229 0.000 1.605 66 H HN -0.070 nan 8.280 nan 0.000 0.657 67 E N 1.231 121.436 120.200 0.008 0.000 2.288 67 E HA 0.311 4.661 4.350 -0.000 0.000 0.268 67 E C -1.568 175.183 176.600 0.252 0.000 0.885 67 E CA -1.428 54.935 56.400 -0.062 0.000 0.767 67 E CB 2.655 32.179 29.700 -0.294 0.000 1.220 67 E HN 0.371 nan 8.360 nan 0.000 0.427 68 Y N -0.785 119.531 120.300 0.026 0.000 2.576 68 Y HA 0.634 5.184 4.550 -0.000 0.000 0.346 68 Y C -1.384 174.501 175.900 -0.025 0.000 1.018 68 Y CA -1.386 56.648 58.100 -0.109 0.000 1.050 68 Y CB 0.795 38.875 38.460 -0.633 0.000 1.280 68 Y HN 0.317 nan 8.280 nan 0.000 0.474 69 L N 3.093 124.445 121.223 0.214 0.000 2.325 69 L HA 0.467 4.807 4.340 -0.000 0.000 0.279 69 L C -1.225 175.848 176.870 0.338 0.000 1.054 69 L CA -0.893 54.060 54.840 0.188 0.000 0.804 69 L CB 1.304 43.402 42.059 0.067 0.000 1.200 69 L HN 0.758 nan 8.230 nan 0.000 0.436 70 Y N 2.545 122.958 120.300 0.188 0.000 2.433 70 Y HA 0.375 4.925 4.550 -0.000 0.000 0.337 70 Y C -0.679 175.260 175.900 0.065 0.000 1.026 70 Y CA -1.395 56.741 58.100 0.061 0.000 1.037 70 Y CB 1.656 40.129 38.460 0.022 0.000 1.245 70 Y HN 0.459 nan 8.280 nan 0.000 0.443 71 K N 4.638 124.709 120.400 -0.547 0.000 2.248 71 K HA 0.391 4.711 4.320 -0.000 0.000 0.281 71 K C -1.215 174.950 176.600 -0.725 0.000 1.054 71 K CA -0.344 55.688 56.287 -0.425 0.000 0.903 71 K CB 0.752 33.152 32.500 -0.168 0.000 1.077 71 K HN 0.786 nan 8.250 nan 0.000 0.474 72 Q N 4.024 123.602 119.800 -0.369 0.000 2.294 72 Q HA 0.138 4.478 4.340 -0.000 0.000 0.264 72 Q C -1.238 174.704 176.000 -0.096 0.000 0.992 72 Q CA -0.267 55.394 55.803 -0.236 0.000 0.747 72 Q CB 1.099 29.825 28.738 -0.020 0.000 1.262 72 Q HN 0.776 nan 8.270 nan 0.000 0.452 73 E N 3.238 123.390 120.200 -0.080 0.000 2.297 73 E HA -0.340 4.010 4.350 -0.000 0.000 0.228 73 E C -0.389 176.182 176.600 -0.048 0.000 1.213 73 E CA 0.634 57.007 56.400 -0.045 0.000 0.712 73 E CB -1.215 28.474 29.700 -0.018 0.000 1.202 73 E HN 0.971 nan 8.360 nan 0.000 0.376 74 N N -0.980 117.683 118.700 -0.062 0.000 2.765 74 N HA -0.197 4.543 4.740 -0.000 0.000 0.248 74 N C -0.699 174.775 175.510 -0.060 0.000 1.063 74 N CA 1.527 54.549 53.050 -0.046 0.000 0.862 74 N CB -0.559 37.914 38.487 -0.023 0.000 1.145 74 N HN 0.428 nan 8.380 nan 0.000 0.581 75 N N 0.632 119.292 118.700 -0.067 0.000 2.499 75 N HA 0.298 5.038 4.740 -0.000 0.000 0.281 75 N C -0.043 175.424 175.510 -0.071 0.000 1.098 75 N CA -0.059 52.951 53.050 -0.065 0.000 0.979 75 N CB 0.918 39.379 38.487 -0.044 0.000 1.121 75 N HN 0.192 nan 8.380 nan 0.000 0.466 76 I N 3.316 123.848 120.570 -0.063 0.000 2.297 76 I HA 0.243 4.412 4.170 -0.000 0.000 0.291 76 I C 0.053 176.206 176.117 0.059 0.000 1.033 76 I CA -0.404 60.877 61.300 -0.031 0.000 1.253 76 I CB 0.627 38.580 38.000 -0.079 0.000 1.396 76 I HN 0.197 nan 8.210 nan 0.000 0.476 77 L N 6.716 127.985 121.223 0.078 0.000 2.334 77 L HA 0.600 4.940 4.340 -0.000 0.000 0.275 77 L C -0.357 176.524 176.870 0.018 0.000 1.036 77 L CA -1.077 53.784 54.840 0.034 0.000 0.807 77 L CB 1.965 44.044 42.059 0.032 0.000 1.231 77 L HN 0.223 nan 8.230 nan 0.000 0.438 78 V N 1.940 121.770 119.914 -0.140 0.000 2.427 78 V HA 0.412 4.532 4.120 -0.000 0.000 0.286 78 V C -0.530 175.334 176.094 -0.383 0.000 1.034 78 V CA -0.335 61.851 62.300 -0.190 0.000 0.893 78 V CB 1.441 33.147 31.823 -0.195 0.000 0.982 78 V HN 0.362 nan 8.190 nan 0.000 0.452 79 F N 2.974 122.644 119.950 -0.466 0.000 2.508 79 F HA 0.450 4.977 4.527 -0.000 0.000 0.325 79 F C 0.457 175.923 175.800 -0.556 0.000 1.090 79 F CA -0.559 57.071 58.000 -0.616 0.000 0.945 79 F CB 1.650 39.935 39.000 -1.191 0.000 1.156 79 F HN 0.435 nan 8.300 nan 0.000 0.463 80 N N 2.059 120.661 118.700 -0.163 0.000 2.422 80 N HA 0.308 5.048 4.740 -0.000 0.000 0.266 80 N C 0.338 175.800 175.510 -0.080 0.000 1.007 80 N CA 0.101 53.093 53.050 -0.096 0.000 0.941 80 N CB 1.872 40.383 38.487 0.040 0.000 1.115 80 N HN 0.788 nan 8.380 nan 0.000 0.492 81 A N 3.671 126.397 122.820 -0.157 0.000 1.898 81 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 81 A C 1.838 179.195 177.584 -0.378 0.000 1.181 81 A CA 1.361 53.232 52.037 -0.277 0.000 0.620 81 A CB -0.468 18.172 19.000 -0.600 0.000 0.819 81 A HN 0.767 nan 8.150 nan 0.000 0.442 82 E N -1.040 118.900 120.200 -0.432 0.000 2.110 82 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 82 E C 1.217 177.520 176.600 -0.494 0.000 0.988 82 E CA 1.718 57.853 56.400 -0.442 0.000 0.804 82 E CB -0.320 29.035 29.700 -0.574 0.000 0.745 82 E HN 0.711 nan 8.360 nan 0.000 0.458 83 Y N -2.180 118.125 120.300 0.008 0.000 2.444 83 Y HA 0.375 4.925 4.550 -0.000 0.000 0.252 83 Y C 1.619 177.526 175.900 0.012 0.000 1.091 83 Y CA 0.320 58.430 58.100 0.016 0.000 1.276 83 Y CB 1.016 39.489 38.460 0.022 0.000 1.170 83 Y HN 0.159 nan 8.280 nan 0.000 0.517 84 G N 0.939 109.811 108.800 0.121 0.000 2.176 84 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 84 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 84 G C 0.081 175.078 174.900 0.161 0.000 0.979 84 G CA 0.188 45.366 45.100 0.129 0.000 0.641 84 G HN 0.451 nan 8.290 nan 0.000 0.530 85 N N 0.545 119.301 118.700 0.093 0.000 2.513 85 N HA 0.573 5.313 4.740 -0.000 0.000 0.274 85 N C -0.005 175.402 175.510 -0.171 0.000 1.189 85 N CA 0.605 53.651 53.050 -0.005 0.000 0.975 85 N CB 1.602 40.089 38.487 -0.001 0.000 1.157 85 N HN 0.788 nan 8.380 nan 0.000 0.465 86 S N -0.156 115.355 115.700 -0.314 0.000 2.632 86 S HA 0.705 5.175 4.470 -0.000 0.000 0.289 86 S C -0.885 173.498 174.600 -0.363 0.000 1.115 86 S CA -0.848 56.983 58.200 -0.616 0.000 0.889 86 S CB 1.516 63.923 63.200 -1.322 0.000 1.116 86 S HN 0.610 nan 8.310 nan 0.000 0.486 87 S N 0.475 115.973 115.700 -0.336 0.000 2.548 87 S HA 0.574 5.044 4.470 -0.000 0.000 0.286 87 S C -0.859 173.658 174.600 -0.138 0.000 1.098 87 S CA -0.755 57.337 58.200 -0.180 0.000 0.930 87 S CB 1.755 64.893 63.200 -0.102 0.000 1.070 87 S HN 1.010 nan 8.310 nan 0.000 0.480 88 V N 4.140 124.003 119.914 -0.086 0.000 2.427 88 V HA 0.339 4.459 4.120 -0.000 0.000 0.268 88 V C 0.132 176.232 176.094 0.011 0.000 1.046 88 V CA 0.150 62.424 62.300 -0.044 0.000 0.970 88 V CB 0.136 31.923 31.823 -0.061 0.000 1.001 88 V HN 0.933 nan 8.190 nan 0.000 0.476 89 F N 7.031 126.913 119.950 -0.113 0.000 2.374 89 F HA 0.456 4.983 4.527 -0.000 0.000 0.291 89 F C 0.287 176.028 175.800 -0.099 0.000 1.084 89 F CA 0.457 58.398 58.000 -0.098 0.000 1.413 89 F CB 0.626 39.573 39.000 -0.088 0.000 1.099 89 F HN 0.407 nan 8.300 nan 0.000 0.534 90 L N 2.087 123.274 121.223 -0.060 0.000 2.491 90 L HA 0.343 4.683 4.340 -0.000 0.000 0.267 90 L C -1.180 175.607 176.870 -0.140 0.000 0.971 90 L CA -0.705 54.030 54.840 -0.174 0.000 0.857 90 L CB 1.130 43.116 42.059 -0.122 0.000 1.226 90 L HN -0.017 nan 8.230 nan 0.000 0.408 91 E N 2.263 122.359 120.200 -0.174 0.000 2.360 91 E HA 0.111 4.461 4.350 -0.000 0.000 0.269 91 E C 1.077 177.591 176.600 -0.144 0.000 1.022 91 E CA -0.052 56.262 56.400 -0.143 0.000 0.887 91 E CB 0.375 29.986 29.700 -0.148 0.000 0.990 91 E HN 0.485 nan 8.360 nan 0.000 0.426 92 N N 1.219 119.860 118.700 -0.098 0.000 2.519 92 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 92 N C 0.807 176.272 175.510 -0.077 0.000 1.062 92 N CA 1.247 54.253 53.050 -0.073 0.000 0.910 92 N CB -0.269 38.188 38.487 -0.050 0.000 0.958 92 N HN 0.367 nan 8.380 nan 0.000 0.445 93 S N -1.866 113.770 115.700 -0.107 0.000 2.478 93 S HA 0.047 4.517 4.470 -0.000 0.000 0.222 93 S C 0.687 175.185 174.600 -0.170 0.000 1.008 93 S CA -0.302 57.835 58.200 -0.106 0.000 0.928 93 S CB -0.857 62.285 63.200 -0.096 0.000 0.781 93 S HN 0.171 nan 8.310 nan 0.000 0.518 94 T N 3.069 117.448 114.554 -0.293 0.000 2.934 94 T HA 0.251 4.601 4.350 -0.000 0.000 0.306 94 T C -0.056 174.325 174.700 -0.532 0.000 1.042 94 T CA 0.427 62.169 62.100 -0.596 0.000 1.145 94 T CB -0.389 67.912 68.868 -0.945 0.000 0.982 94 T HN 0.374 nan 8.240 nan 0.000 0.544 95 F N 0.036 119.881 119.950 -0.174 0.000 2.699 95 F HA -0.198 4.329 4.527 -0.000 0.000 0.343 95 F C 1.208 177.002 175.800 -0.009 0.000 0.633 95 F CA 0.254 58.187 58.000 -0.112 0.000 1.365 95 F CB -2.328 36.517 39.000 -0.258 0.000 1.795 95 F HN 0.526 nan 8.300 nan 0.000 0.304 96 D N 0.600 121.040 120.400 0.067 0.000 2.182 96 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 96 D C 1.853 178.190 176.300 0.063 0.000 0.986 96 D CA 1.730 55.760 54.000 0.050 0.000 0.847 96 D CB -0.036 40.761 40.800 -0.005 0.000 0.942 96 D HN 0.675 nan 8.370 nan 0.000 0.467 97 E N -1.157 119.088 120.200 0.076 0.000 2.569 97 E HA 0.009 4.359 4.350 -0.000 0.000 0.205 97 E C 0.887 177.533 176.600 0.077 0.000 1.006 97 E CA -0.360 56.066 56.400 0.044 0.000 0.985 97 E CB 0.037 29.746 29.700 0.015 0.000 1.060 97 E HN 0.092 nan 8.360 nan 0.000 0.460 98 F N 0.356 120.305 119.950 -0.002 0.000 2.216 98 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 98 F C 1.555 177.258 175.800 -0.162 0.000 1.085 98 F CA 2.152 60.144 58.000 -0.013 0.000 1.326 98 F CB 0.143 39.156 39.000 0.022 0.000 1.027 98 F HN 0.178 nan 8.300 nan 0.000 0.497 99 G N -0.867 107.673 108.800 -0.434 0.000 2.218 99 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 99 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 99 G C -0.191 174.100 174.900 -1.014 0.000 0.994 99 G CA 0.072 44.720 45.100 -0.754 0.000 0.637 99 G HN 0.653 nan 8.290 nan 0.000 0.505 100 H N 0.011 118.850 119.070 -0.385 0.000 2.980 100 H HA 0.665 5.221 4.556 -0.000 0.000 0.367 100 H C 0.159 175.527 175.328 0.066 0.000 1.206 100 H CA -0.196 55.756 56.048 -0.160 0.000 1.126 100 H CB 1.484 31.080 29.762 -0.276 0.000 1.838 100 H HN 0.419 nan 8.280 nan 0.000 0.552 101 S N 1.626 117.444 115.700 0.196 0.000 2.510 101 S HA 0.260 4.730 4.470 -0.000 0.000 0.279 101 S C 0.099 174.815 174.600 0.193 0.000 1.284 101 S CA -0.663 57.631 58.200 0.157 0.000 1.059 101 S CB -0.166 63.093 63.200 0.098 0.000 0.901 101 S HN 0.475 nan 8.310 nan 0.000 0.491 102 I N 4.074 124.728 120.570 0.139 0.000 2.337 102 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 102 I C 1.717 177.861 176.117 0.044 0.000 1.046 102 I CA -0.362 60.987 61.300 0.082 0.000 1.324 102 I CB 0.567 38.523 38.000 -0.075 0.000 1.409 102 I HN 0.866 nan 8.210 nan 0.000 0.494 103 N N 4.200 122.919 118.700 0.032 0.000 2.354 103 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 103 N C 0.048 175.505 175.510 -0.089 0.000 1.021 103 N CA 1.016 54.030 53.050 -0.059 0.000 0.887 103 N CB 0.498 38.915 38.487 -0.117 0.000 0.974 103 N HN 0.657 nan 8.380 nan 0.000 0.437 104 D N -1.783 118.594 120.400 -0.039 0.000 2.694 104 D HA 0.178 4.818 4.640 -0.000 0.000 0.260 104 D C -1.599 174.719 176.300 0.029 0.000 1.250 104 D CA -0.453 53.506 54.000 -0.068 0.000 0.763 104 D CB 0.883 41.622 40.800 -0.102 0.000 1.311 104 D HN 0.100 nan 8.370 nan 0.000 0.420 105 Y N -1.043 119.283 120.300 0.043 0.000 2.605 105 Y HA 0.811 5.361 4.550 -0.000 0.000 0.343 105 Y C -1.039 174.949 175.900 0.146 0.000 1.036 105 Y CA -1.046 57.100 58.100 0.078 0.000 1.065 105 Y CB 1.786 40.282 38.460 0.059 0.000 1.288 105 Y HN 0.154 nan 8.280 nan 0.000 0.481 106 S N 1.814 117.778 115.700 0.440 0.000 2.649 106 S HA 0.588 5.058 4.470 -0.000 0.000 0.274 106 S C -1.542 173.450 174.600 0.653 0.000 1.176 106 S CA -0.612 57.863 58.200 0.459 0.000 0.988 106 S CB 0.230 63.624 63.200 0.324 0.000 1.071 106 S HN 0.683 nan 8.310 nan 0.000 0.478 107 I N 4.532 125.388 120.570 0.476 0.000 2.342 107 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 107 I C 0.960 176.969 176.117 -0.180 0.000 1.010 107 I CA -0.562 60.890 61.300 0.253 0.000 1.308 107 I CB 1.651 39.775 38.000 0.207 0.000 1.400 107 I HN 0.740 nan 8.210 nan 0.000 0.488 108 S N 6.072 121.285 115.700 -0.812 0.000 2.566 108 S HA 0.078 4.548 4.470 -0.000 0.000 0.280 108 S C -1.826 172.467 174.600 -0.512 0.000 1.343 108 S CA -0.875 56.441 58.200 -1.473 0.000 1.036 108 S CB 0.360 62.583 63.200 -1.628 0.000 0.866 108 S HN 0.439 nan 8.310 nan 0.000 0.526 109 P HA -0.063 nan 4.420 nan 0.000 0.215 109 P C 0.139 177.380 177.300 -0.098 0.000 1.153 109 P CA 1.338 64.358 63.100 -0.135 0.000 0.853 109 P CB -0.104 31.543 31.700 -0.089 0.000 0.788 110 D N -2.317 118.022 120.400 -0.102 0.000 2.395 110 D HA 0.304 4.944 4.640 -0.000 0.000 0.226 110 D C 1.179 177.461 176.300 -0.030 0.000 1.146 110 D CA 0.433 54.409 54.000 -0.040 0.000 0.830 110 D CB -0.553 40.240 40.800 -0.012 0.000 0.958 110 D HN 0.047 nan 8.370 nan 0.000 0.501 111 G N 0.763 109.532 108.800 -0.052 0.000 2.184 111 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.264 111 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.264 111 G C 1.120 176.022 174.900 0.004 0.000 0.975 111 G CA 0.222 45.349 45.100 0.044 0.000 0.642 111 G HN 0.413 nan 8.290 nan 0.000 0.536 112 Q N -1.435 118.278 119.800 -0.146 0.000 2.331 112 Q HA 0.354 4.694 4.340 -0.000 0.000 0.203 112 Q C 0.255 175.756 176.000 -0.832 0.000 0.944 112 Q CA 0.700 56.226 55.803 -0.463 0.000 0.892 112 Q CB 0.327 28.762 28.738 -0.505 0.000 0.983 112 Q HN 0.576 nan 8.270 nan 0.000 0.482 113 F N -0.689 119.193 119.950 -0.113 0.000 2.626 113 F HA 0.516 5.043 4.527 -0.000 0.000 0.311 113 F C -0.649 175.225 175.800 0.123 0.000 1.088 113 F CA -1.172 56.827 58.000 -0.003 0.000 0.949 113 F CB 1.769 40.787 39.000 0.030 0.000 1.322 113 F HN -0.227 nan 8.300 nan 0.000 0.461 114 I N 2.637 123.523 120.570 0.527 0.000 2.533 114 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 114 I C -1.632 174.806 176.117 0.535 0.000 1.056 114 I CA -0.690 60.922 61.300 0.520 0.000 1.057 114 I CB 1.517 39.759 38.000 0.404 0.000 1.240 114 I HN 0.458 nan 8.210 nan 0.000 0.423 115 L N 7.790 129.353 121.223 0.566 0.000 2.319 115 L HA 0.379 4.719 4.340 -0.000 0.000 0.280 115 L C -0.820 176.186 176.870 0.228 0.000 1.099 115 L CA -0.509 54.525 54.840 0.323 0.000 0.828 115 L CB 1.050 43.199 42.059 0.151 0.000 1.150 115 L HN 0.520 nan 8.230 nan 0.000 0.442 116 L N 4.675 125.966 121.223 0.113 0.000 2.280 116 L HA 0.396 4.736 4.340 -0.000 0.000 0.287 116 L C 0.065 176.999 176.870 0.107 0.000 1.023 116 L CA -0.339 54.482 54.840 -0.033 0.000 0.819 116 L CB 1.573 43.342 42.059 -0.482 0.000 1.212 116 L HN 0.581 nan 8.230 nan 0.000 0.420 117 E N 3.987 124.234 120.200 0.078 0.000 2.200 117 E HA 0.383 4.733 4.350 -0.000 0.000 0.283 117 E C -1.554 175.044 176.600 -0.002 0.000 1.015 117 E CA -0.455 55.873 56.400 -0.119 0.000 0.819 117 E CB 0.929 30.638 29.700 0.015 0.000 1.081 117 E HN 0.446 nan 8.360 nan 0.000 0.397 118 Y N 1.815 121.952 120.300 -0.271 0.000 2.655 118 Y HA 0.420 4.970 4.550 -0.000 0.000 0.336 118 Y C -0.242 175.565 175.900 -0.154 0.000 1.154 118 Y CA -1.579 56.444 58.100 -0.127 0.000 1.055 118 Y CB 0.647 39.098 38.460 -0.015 0.000 1.295 118 Y HN 0.534 nan 8.280 nan 0.000 0.465 119 N N -0.313 118.366 118.700 -0.034 0.000 2.747 119 N HA -0.287 4.453 4.740 -0.000 0.000 0.249 119 N C -0.987 174.483 175.510 -0.066 0.000 1.107 119 N CA 0.967 53.956 53.050 -0.100 0.000 0.707 119 N CB -1.693 36.610 38.487 -0.306 0.000 1.054 119 N HN 0.882 nan 8.380 nan 0.000 0.555 120 Y N 0.434 120.650 120.300 -0.140 0.000 2.721 120 Y HA 0.260 4.810 4.550 -0.000 0.000 0.329 120 Y C -0.016 175.836 175.900 -0.080 0.000 1.211 120 Y CA 0.095 58.116 58.100 -0.131 0.000 1.512 120 Y CB 0.633 38.968 38.460 -0.208 0.000 1.249 120 Y HN -0.016 nan 8.280 nan 0.000 0.549 121 V N 8.167 127.792 119.914 -0.482 0.000 2.409 121 V HA 0.216 4.336 4.120 -0.000 0.000 0.290 121 V C -0.264 175.443 176.094 -0.645 0.000 1.017 121 V CA -1.401 60.636 62.300 -0.438 0.000 0.841 121 V CB 1.315 33.010 31.823 -0.213 0.000 1.003 121 V HN 0.744 nan 8.190 nan 0.000 0.426 122 K N 3.725 123.738 120.400 -0.645 0.000 2.350 122 K HA 0.265 4.584 4.320 -0.000 0.000 0.279 122 K C 0.408 176.824 176.600 -0.307 0.000 1.027 122 K CA 0.073 56.095 56.287 -0.442 0.000 0.969 122 K CB 1.291 33.730 32.500 -0.103 0.000 0.954 122 K HN 0.821 nan 8.250 nan 0.000 0.474 123 Q N 3.167 122.765 119.800 -0.336 0.000 2.429 123 Q HA 0.157 4.497 4.340 -0.000 0.000 0.230 123 Q C -0.034 175.665 176.000 -0.503 0.000 0.970 123 Q CA -0.243 55.178 55.803 -0.637 0.000 0.778 123 Q CB 0.068 28.272 28.738 -0.891 0.000 2.016 123 Q HN 0.715 nan 8.270 nan 0.000 0.543 124 W N 0.084 121.371 121.300 -0.021 0.000 1.836 124 W HA 0.374 5.034 4.660 -0.000 0.000 0.628 124 W C 1.806 178.298 176.519 -0.045 0.000 1.626 124 W CA -0.728 56.623 57.345 0.011 0.000 1.714 124 W CB -0.129 29.290 29.460 -0.068 0.000 3.166 124 W HN 0.243 nan 8.180 nan 0.000 0.772 125 R N -0.646 119.942 120.500 0.147 0.000 2.092 125 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 125 R C 1.662 177.807 176.300 -0.259 0.000 1.119 125 R CA 1.693 57.711 56.100 -0.137 0.000 0.970 125 R CB -0.317 29.757 30.300 -0.376 0.000 0.864 125 R HN 0.502 nan 8.270 nan 0.000 0.440 126 H N -1.278 117.860 119.070 0.114 0.000 2.800 126 H HA 0.153 4.709 4.556 -0.000 0.000 0.257 126 H C 0.562 175.980 175.328 0.150 0.000 0.967 126 H CA 0.511 56.651 56.048 0.153 0.000 1.192 126 H CB 0.196 30.022 29.762 0.106 0.000 1.441 126 H HN 0.135 nan 8.280 nan 0.000 0.461 127 S N 1.475 117.160 115.700 -0.025 0.000 2.576 127 S HA 0.354 4.824 4.470 -0.000 0.000 0.276 127 S C -0.280 174.191 174.600 -0.215 0.000 1.339 127 S CA -0.448 57.399 58.200 -0.589 0.000 1.039 127 S CB 0.525 62.883 63.200 -1.402 0.000 0.902 127 S HN 0.436 nan 8.310 nan 0.000 0.516 128 Y N -2.177 118.003 120.300 -0.200 0.000 2.702 128 Y HA 0.722 5.272 4.550 -0.000 0.000 0.336 128 Y C -0.709 175.179 175.900 -0.020 0.000 1.203 128 Y CA -1.094 56.880 58.100 -0.210 0.000 1.072 128 Y CB 0.958 39.238 38.460 -0.300 0.000 1.327 128 Y HN 0.687 nan 8.280 nan 0.000 0.456 129 T N 1.059 115.672 114.554 0.098 0.000 2.912 129 T HA 0.931 5.281 4.350 -0.000 0.000 0.288 129 T C -0.968 173.802 174.700 0.117 0.000 1.030 129 T CA 0.178 62.342 62.100 0.107 0.000 1.020 129 T CB 1.044 69.921 68.868 0.014 0.000 1.056 129 T HN 1.530 nan 8.240 nan 0.000 0.480 130 A N 2.041 124.911 122.820 0.082 0.000 2.586 130 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 130 A C -0.795 176.570 177.584 -0.365 0.000 1.086 130 A CA -0.750 51.198 52.037 -0.148 0.000 0.665 130 A CB 1.187 20.106 19.000 -0.136 0.000 1.279 130 A HN 0.745 nan 8.150 nan 0.000 0.423 131 S N -0.834 114.410 115.700 -0.760 0.000 2.690 131 S HA 0.839 5.309 4.470 -0.000 0.000 0.291 131 S C -1.513 172.409 174.600 -1.130 0.000 1.138 131 S CA -0.118 57.553 58.200 -0.881 0.000 1.013 131 S CB 0.753 63.174 63.200 -1.297 0.000 1.053 131 S HN 0.479 nan 8.310 nan 0.000 0.539 132 Y N -0.011 120.114 120.300 -0.292 0.000 2.470 132 Y HA 0.417 4.967 4.550 -0.000 0.000 0.341 132 Y C -0.539 175.426 175.900 0.110 0.000 1.021 132 Y CA -0.900 57.164 58.100 -0.059 0.000 1.025 132 Y CB 1.722 40.073 38.460 -0.180 0.000 1.266 132 Y HN 0.508 nan 8.280 nan 0.000 0.448 133 D N 2.753 123.355 120.400 0.337 0.000 2.340 133 D HA 0.589 5.229 4.640 -0.000 0.000 0.240 133 D C -0.787 175.612 176.300 0.165 0.000 1.001 133 D CA -0.320 53.826 54.000 0.243 0.000 0.888 133 D CB 2.626 43.611 40.800 0.307 0.000 1.310 133 D HN 0.397 nan 8.370 nan 0.000 0.474 134 I N 1.442 122.112 120.570 0.167 0.000 2.433 134 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 134 I C -0.959 175.356 176.117 0.329 0.000 1.001 134 I CA -0.992 60.444 61.300 0.225 0.000 1.119 134 I CB 1.704 39.787 38.000 0.138 0.000 1.289 134 I HN 0.234 nan 8.210 nan 0.000 0.438 135 Y N 5.402 125.860 120.300 0.263 0.000 2.334 135 Y HA 0.271 4.821 4.550 -0.000 0.000 0.336 135 Y C -0.166 175.929 175.900 0.325 0.000 0.960 135 Y CA -0.729 57.537 58.100 0.277 0.000 1.164 135 Y CB 1.019 39.676 38.460 0.329 0.000 1.155 135 Y HN 0.494 nan 8.280 nan 0.000 0.478 136 D N 6.303 126.661 120.400 -0.070 0.000 2.338 136 D HA 0.050 4.690 4.640 -0.000 0.000 0.255 136 D C 0.578 176.543 176.300 -0.560 0.000 1.237 136 D CA 0.455 54.341 54.000 -0.191 0.000 0.883 136 D CB 1.024 41.794 40.800 -0.050 0.000 1.087 136 D HN 0.865 nan 8.370 nan 0.000 0.485 137 L N 3.825 124.757 121.223 -0.485 0.000 2.131 137 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 137 L C 2.205 178.865 176.870 -0.350 0.000 1.087 137 L CA 0.337 54.955 54.840 -0.371 0.000 0.767 137 L CB -0.267 41.632 42.059 -0.268 0.000 0.917 137 L HN 0.407 nan 8.230 nan 0.000 0.441 138 N N 0.581 119.055 118.700 -0.377 0.000 2.013 138 N HA -0.123 4.617 4.740 -0.000 0.000 0.195 138 N C 0.905 176.280 175.510 -0.226 0.000 1.051 138 N CA 1.160 54.047 53.050 -0.271 0.000 0.851 138 N CB -0.180 38.147 38.487 -0.267 0.000 1.044 138 N HN 0.368 nan 8.380 nan 0.000 0.422 139 K N 0.832 121.091 120.400 -0.234 0.000 2.545 139 K HA 0.117 4.437 4.320 -0.000 0.000 0.269 139 K C 0.192 176.630 176.600 -0.270 0.000 1.071 139 K CA 0.257 56.425 56.287 -0.198 0.000 0.919 139 K CB 0.248 32.651 32.500 -0.161 0.000 1.169 139 K HN 0.005 nan 8.250 nan 0.000 0.493 140 R N 0.301 120.653 120.500 -0.247 0.000 2.711 140 R HA 0.171 4.511 4.340 -0.000 0.000 0.350 140 R C -0.980 175.159 176.300 -0.268 0.000 1.146 140 R CA -0.165 55.751 56.100 -0.306 0.000 1.190 140 R CB 0.815 31.054 30.300 -0.102 0.000 1.312 140 R HN 0.414 nan 8.270 nan 0.000 0.635 141 Q N 0.217 119.802 119.800 -0.358 0.000 2.377 141 Q HA 0.468 4.808 4.340 -0.000 0.000 0.271 141 Q C -0.667 175.312 176.000 -0.035 0.000 1.077 141 Q CA -1.029 54.717 55.803 -0.096 0.000 0.820 141 Q CB 2.673 31.389 28.738 -0.038 0.000 1.347 141 Q HN 0.128 nan 8.270 nan 0.000 0.444 142 L N 2.872 124.241 121.223 0.244 0.000 2.455 142 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 142 L C 0.219 177.185 176.870 0.159 0.000 1.174 142 L CA -0.431 54.585 54.840 0.293 0.000 0.869 142 L CB -0.012 42.252 42.059 0.341 0.000 1.130 142 L HN 0.580 nan 8.230 nan 0.000 0.474 143 I N 0.155 120.810 120.570 0.143 0.000 2.588 143 I HA 0.108 4.278 4.170 -0.000 0.000 0.283 143 I C 0.807 176.969 176.117 0.074 0.000 1.119 143 I CA 0.512 61.865 61.300 0.087 0.000 1.419 143 I CB 1.017 39.053 38.000 0.061 0.000 1.394 143 I HN 0.483 nan 8.210 nan 0.000 0.562 144 T N 4.243 118.826 114.554 0.049 0.000 3.015 144 T HA 0.095 4.445 4.350 -0.000 0.000 0.250 144 T C 0.379 175.086 174.700 0.012 0.000 1.057 144 T CA 0.612 62.736 62.100 0.040 0.000 1.066 144 T CB -0.210 68.680 68.868 0.036 0.000 0.959 144 T HN 0.879 nan 8.240 nan 0.000 0.488 145 E N 0.682 120.881 120.200 -0.002 0.000 2.281 145 E HA 0.464 4.814 4.350 -0.000 0.000 0.262 145 E C -0.822 175.751 176.600 -0.046 0.000 0.933 145 E CA -0.750 55.635 56.400 -0.025 0.000 0.809 145 E CB 1.074 30.762 29.700 -0.021 0.000 1.242 145 E HN -0.182 nan 8.360 nan 0.000 0.418 146 E N 0.114 120.272 120.200 -0.071 0.000 2.586 146 E HA -0.205 4.145 4.350 -0.000 0.000 0.259 146 E C -0.717 175.807 176.600 -0.127 0.000 1.107 146 E CA 0.701 57.041 56.400 -0.100 0.000 0.754 146 E CB -1.597 28.055 29.700 -0.079 0.000 1.335 146 E HN 0.587 nan 8.360 nan 0.000 0.411 147 R N -0.009 120.414 120.500 -0.128 0.000 2.640 147 R HA 0.209 4.549 4.340 -0.000 0.000 0.270 147 R C 1.140 177.274 176.300 -0.277 0.000 1.024 147 R CA -0.132 55.881 56.100 -0.145 0.000 1.085 147 R CB 0.342 30.586 30.300 -0.094 0.000 0.963 147 R HN 0.126 nan 8.270 nan 0.000 0.426 148 I N 5.467 125.837 120.570 -0.333 0.000 2.752 148 I HA -0.052 4.118 4.170 -0.000 0.000 0.289 148 I C -1.459 174.348 176.117 -0.516 0.000 1.197 148 I CA -1.066 59.869 61.300 -0.609 0.000 1.432 148 I CB 0.144 37.801 38.000 -0.571 0.000 1.359 148 I HN 0.368 nan 8.210 nan 0.000 0.571 149 P HA 0.071 nan 4.420 nan 0.000 0.272 149 P C -0.858 176.215 177.300 -0.379 0.000 1.240 149 P CA -0.400 62.300 63.100 -0.667 0.000 0.791 149 P CB 0.426 31.323 31.700 -1.338 0.000 0.978 150 N N 1.696 120.264 118.700 -0.221 0.000 2.415 150 N HA -0.003 4.737 4.740 -0.000 0.000 0.248 150 N C 0.715 176.291 175.510 0.109 0.000 1.271 150 N CA 0.271 53.267 53.050 -0.090 0.000 0.913 150 N CB -0.599 37.852 38.487 -0.060 0.000 1.129 150 N HN 0.418 nan 8.380 nan 0.000 0.444 151 N N -1.322 117.423 118.700 0.075 0.000 2.741 151 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 151 N C -0.839 174.852 175.510 0.302 0.000 1.115 151 N CA 0.749 53.891 53.050 0.153 0.000 0.724 151 N CB -1.704 36.880 38.487 0.163 0.000 1.090 151 N HN 0.492 nan 8.380 nan 0.000 0.558 152 T N 0.761 115.485 114.554 0.283 0.000 2.930 152 T HA 0.109 4.458 4.350 -0.000 0.000 0.306 152 T C 1.704 176.571 174.700 0.278 0.000 1.045 152 T CA 0.180 62.475 62.100 0.326 0.000 1.134 152 T CB 1.175 70.142 68.868 0.166 0.000 0.961 152 T HN 0.182 nan 8.240 nan 0.000 0.545 153 Q N 1.252 121.208 119.800 0.260 0.000 2.373 153 Q HA 0.200 4.540 4.340 -0.000 0.000 0.210 153 Q C 0.035 176.192 176.000 0.261 0.000 0.913 153 Q CA 0.209 56.168 55.803 0.261 0.000 0.911 153 Q CB 0.944 29.813 28.738 0.218 0.000 1.040 153 Q HN 0.706 nan 8.270 nan 0.000 0.521 154 W N -0.058 121.203 121.300 -0.064 0.000 3.419 154 W HA 0.463 5.123 4.660 -0.000 0.000 0.298 154 W C -2.303 174.130 176.519 -0.142 0.000 1.260 154 W CA -0.608 56.646 57.345 -0.151 0.000 1.199 154 W CB 1.228 30.533 29.460 -0.258 0.000 1.349 154 W HN -0.359 nan 8.180 nan 0.000 0.557 155 V N 3.218 122.441 119.914 -1.150 0.000 2.808 155 V HA 0.675 4.795 4.120 -0.000 0.000 0.308 155 V C -0.447 175.015 176.094 -1.053 0.000 1.099 155 V CA -0.568 61.189 62.300 -0.906 0.000 0.920 155 V CB 2.070 33.268 31.823 -1.040 0.000 1.014 155 V HN 0.496 nan 8.190 nan 0.000 0.425 156 T N 1.219 115.473 114.554 -0.500 0.000 2.933 156 T HA 0.489 4.839 4.350 -0.000 0.000 0.305 156 T C -0.884 173.767 174.700 -0.082 0.000 1.092 156 T CA -0.598 61.372 62.100 -0.217 0.000 1.008 156 T CB 1.362 70.361 68.868 0.219 0.000 1.102 156 T HN 0.552 nan 8.240 nan 0.000 0.469 157 W N 2.199 123.501 121.300 0.005 0.000 2.126 157 W HA 0.404 5.064 4.660 -0.000 0.000 0.346 157 W C 1.204 177.543 176.519 -0.301 0.000 1.279 157 W CA -0.642 56.657 57.345 -0.078 0.000 1.259 157 W CB 0.503 29.935 29.460 -0.047 0.000 1.133 157 W HN 0.751 nan 8.180 nan 0.000 0.592 158 S N 1.228 116.659 115.700 -0.449 0.000 2.624 158 S HA 0.177 4.647 4.470 -0.000 0.000 0.263 158 S C -1.880 172.479 174.600 -0.402 0.000 1.287 158 S CA -1.037 56.457 58.200 -1.177 0.000 0.990 158 S CB 0.785 63.110 63.200 -1.457 0.000 0.950 158 S HN 0.266 nan 8.310 nan 0.000 0.561 159 P HA 0.035 nan 4.420 nan 0.000 0.220 159 P C 0.241 177.491 177.300 -0.082 0.000 1.148 159 P CA 0.778 63.832 63.100 -0.077 0.000 0.803 159 P CB -0.171 31.519 31.700 -0.018 0.000 0.782 160 V N -6.486 113.336 119.914 -0.153 0.000 2.962 160 V HA 0.894 5.014 4.120 -0.000 0.000 0.313 160 V C 0.362 176.343 176.094 -0.188 0.000 1.099 160 V CA -0.303 61.921 62.300 -0.127 0.000 0.971 160 V CB 1.089 32.856 31.823 -0.094 0.000 1.028 160 V HN 0.426 nan 8.190 nan 0.000 0.430 161 G N 2.586 111.288 108.800 -0.163 0.000 2.498 161 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.251 161 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.251 161 G C 0.175 174.957 174.900 -0.197 0.000 1.170 161 G CA 0.703 45.659 45.100 -0.241 0.000 0.944 161 G HN 2.522 nan 8.290 nan 0.000 0.567 162 H N -0.639 118.407 119.070 -0.041 0.000 3.204 162 H HA 0.354 4.910 4.556 -0.000 0.000 0.240 162 H C 0.243 175.722 175.328 0.252 0.000 1.259 162 H CA -0.114 55.945 56.048 0.018 0.000 0.991 162 H CB -0.269 29.540 29.762 0.078 0.000 2.583 162 H HN 0.532 nan 8.280 nan 0.000 0.638 163 K N 1.760 122.214 120.400 0.090 0.000 2.319 163 K HA 0.388 4.708 4.320 -0.000 0.000 0.265 163 K C -0.310 176.433 176.600 0.238 0.000 1.000 163 K CA -0.119 56.239 56.287 0.117 0.000 0.943 163 K CB 1.510 33.940 32.500 -0.117 0.000 0.950 163 K HN 0.143 nan 8.250 nan 0.000 0.485 164 L N 1.209 122.568 121.223 0.228 0.000 2.354 164 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 164 L C -0.750 176.307 176.870 0.311 0.000 1.005 164 L CA -0.865 54.048 54.840 0.122 0.000 0.819 164 L CB 2.087 44.067 42.059 -0.131 0.000 1.311 164 L HN 0.703 nan 8.230 nan 0.000 0.423 165 A N 2.327 125.328 122.820 0.302 0.000 2.356 165 A HA 0.800 5.120 4.320 -0.000 0.000 0.310 165 A C -1.535 176.071 177.584 0.038 0.000 1.075 165 A CA -0.381 51.731 52.037 0.125 0.000 0.746 165 A CB 1.118 20.145 19.000 0.045 0.000 1.221 165 A HN 0.634 nan 8.150 nan 0.000 0.443 166 Y N -0.451 119.819 120.300 -0.050 0.000 2.609 166 Y HA 0.796 5.346 4.550 -0.000 0.000 0.342 166 Y C -1.088 174.840 175.900 0.047 0.000 1.058 166 Y CA -1.684 56.367 58.100 -0.083 0.000 1.055 166 Y CB 1.208 39.554 38.460 -0.190 0.000 1.292 166 Y HN 0.366 nan 8.280 nan 0.000 0.476 167 V N 2.054 122.133 119.914 0.275 0.000 2.448 167 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 167 V C -1.476 174.863 176.094 0.409 0.000 1.025 167 V CA -0.590 61.848 62.300 0.231 0.000 0.859 167 V CB 1.200 33.065 31.823 0.070 0.000 0.988 167 V HN 0.866 nan 8.190 nan 0.000 0.431 168 W N 4.935 126.366 121.300 0.219 0.000 3.097 168 W HA 0.459 5.119 4.660 -0.000 0.000 0.335 168 W C 0.362 176.952 176.519 0.118 0.000 1.114 168 W CA -0.833 56.606 57.345 0.157 0.000 1.231 168 W CB 1.278 30.820 29.460 0.137 0.000 1.388 168 W HN 0.780 nan 8.180 nan 0.000 0.485 169 N N 4.954 123.335 118.700 -0.530 0.000 2.710 169 N HA -0.350 4.390 4.740 -0.000 0.000 0.249 169 N C 0.006 175.378 175.510 -0.229 0.000 1.059 169 N CA 1.044 53.796 53.050 -0.497 0.000 0.720 169 N CB -0.878 37.144 38.487 -0.776 0.000 0.983 169 N HN 0.681 nan 8.380 nan 0.000 0.544 170 N N -1.962 116.664 118.700 -0.123 0.000 2.909 170 N HA -0.149 4.590 4.740 -0.000 0.000 0.242 170 N C -1.342 174.104 175.510 -0.108 0.000 0.975 170 N CA 1.609 54.597 53.050 -0.104 0.000 0.921 170 N CB -0.553 37.822 38.487 -0.187 0.000 1.112 170 N HN 0.537 nan 8.380 nan 0.000 0.581 171 D N -0.066 120.277 120.400 -0.095 0.000 2.299 171 D HA 0.492 5.132 4.640 -0.000 0.000 0.243 171 D C 0.535 176.674 176.300 -0.268 0.000 0.982 171 D CA -0.403 53.458 54.000 -0.232 0.000 0.924 171 D CB 1.319 41.917 40.800 -0.337 0.000 1.238 171 D HN 0.003 nan 8.370 nan 0.000 0.484 172 I N 1.539 121.787 120.570 -0.536 0.000 2.385 172 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 172 I C -0.725 174.926 176.117 -0.777 0.000 0.988 172 I CA -0.529 60.449 61.300 -0.537 0.000 1.265 172 I CB 0.655 38.271 38.000 -0.640 0.000 1.388 172 I HN 0.171 nan 8.210 nan 0.000 0.480 173 Y N 4.002 123.942 120.300 -0.601 0.000 2.545 173 Y HA 0.627 5.177 4.550 -0.000 0.000 0.348 173 Y C -0.348 175.225 175.900 -0.545 0.000 1.002 173 Y CA -0.898 56.805 58.100 -0.662 0.000 1.039 173 Y CB 2.188 39.996 38.460 -1.086 0.000 1.271 173 Y HN 0.111 nan 8.280 nan 0.000 0.467 174 V N 2.469 122.329 119.914 -0.090 0.000 2.638 174 V HA 0.440 4.560 4.120 -0.000 0.000 0.306 174 V C -0.843 175.370 176.094 0.200 0.000 1.052 174 V CA -1.405 60.932 62.300 0.062 0.000 0.885 174 V CB 1.989 33.875 31.823 0.104 0.000 0.999 174 V HN 0.612 nan 8.190 nan 0.000 0.424 175 K N 3.924 124.448 120.400 0.206 0.000 2.307 175 K HA 0.510 4.830 4.320 -0.000 0.000 0.263 175 K C 0.324 177.061 176.600 0.228 0.000 0.973 175 K CA -0.728 55.678 56.287 0.199 0.000 0.846 175 K CB 1.745 34.325 32.500 0.133 0.000 1.100 175 K HN 0.450 nan 8.250 nan 0.000 0.438 176 I N 1.311 122.033 120.570 0.253 0.000 2.333 176 I HA -0.056 4.114 4.170 -0.000 0.000 0.246 176 I C 0.544 176.785 176.117 0.207 0.000 1.106 176 I CA 1.439 62.868 61.300 0.216 0.000 1.411 176 I CB -0.208 37.927 38.000 0.225 0.000 1.082 176 I HN 0.562 nan 8.210 nan 0.000 0.420 177 E N 0.118 120.423 120.200 0.176 0.000 2.256 177 E HA 0.276 4.626 4.350 -0.000 0.000 0.267 177 E C -1.888 174.714 176.600 0.003 0.000 0.892 177 E CA -1.950 54.532 56.400 0.135 0.000 0.775 177 E CB 1.721 31.490 29.700 0.115 0.000 1.207 177 E HN -0.141 nan 8.360 nan 0.000 0.420 178 P HA -0.148 nan 4.420 nan 0.000 0.219 178 P C 0.780 177.996 177.300 -0.139 0.000 1.146 178 P CA 1.270 64.222 63.100 -0.247 0.000 0.808 178 P CB 0.273 31.573 31.700 -0.668 0.000 0.779 179 N N -1.736 116.907 118.700 -0.095 0.000 2.236 179 N HA 0.004 4.743 4.740 -0.000 0.000 0.196 179 N C 0.208 175.701 175.510 -0.028 0.000 1.114 179 N CA 0.284 53.308 53.050 -0.043 0.000 0.859 179 N CB -0.155 38.326 38.487 -0.011 0.000 0.982 179 N HN 0.061 nan 8.380 nan 0.000 0.493 180 L N 1.625 122.837 121.223 -0.019 0.000 2.399 180 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 180 L C -2.149 174.684 176.870 -0.061 0.000 1.114 180 L CA -1.723 53.105 54.840 -0.022 0.000 0.804 180 L CB 0.642 42.711 42.059 0.017 0.000 1.146 180 L HN -0.148 nan 8.230 nan 0.000 0.451 181 P HA 0.019 nan 4.420 nan 0.000 0.265 181 P C -0.414 176.746 177.300 -0.233 0.000 1.193 181 P CA -0.064 62.943 63.100 -0.155 0.000 0.765 181 P CB 0.395 31.992 31.700 -0.172 0.000 0.823 182 S N 2.411 118.023 115.700 -0.147 0.000 2.632 182 S HA 0.359 4.829 4.470 -0.000 0.000 0.267 182 S C -0.641 173.838 174.600 -0.203 0.000 1.276 182 S CA -0.382 57.765 58.200 -0.088 0.000 0.998 182 S CB 0.105 63.346 63.200 0.070 0.000 0.953 182 S HN 0.259 nan 8.310 nan 0.000 0.547 183 Y N 0.234 120.567 120.300 0.055 0.000 2.320 183 Y HA 0.457 5.007 4.550 -0.000 0.000 0.334 183 Y C 0.825 176.687 175.900 -0.063 0.000 1.055 183 Y CA -0.804 57.314 58.100 0.028 0.000 1.143 183 Y CB 1.002 39.473 38.460 0.018 0.000 1.193 183 Y HN 0.671 nan 8.280 nan 0.000 0.477 184 R N 3.694 124.185 120.500 -0.016 0.000 2.267 184 R HA 0.248 4.588 4.340 -0.000 0.000 0.319 184 R C 0.049 176.097 176.300 -0.419 0.000 1.067 184 R CA -0.085 55.694 56.100 -0.535 0.000 0.936 184 R CB 0.266 30.060 30.300 -0.843 0.000 1.006 184 R HN 0.774 nan 8.270 nan 0.000 0.452 185 I N 2.380 122.619 120.570 -0.552 0.000 2.731 185 I HA -0.008 4.162 4.170 -0.000 0.000 0.260 185 I C 1.044 176.960 176.117 -0.336 0.000 1.138 185 I CA 0.853 61.953 61.300 -0.334 0.000 1.461 185 I CB -0.587 37.185 38.000 -0.379 0.000 1.128 185 I HN 0.656 nan 8.210 nan 0.000 0.438 186 T N -3.773 110.436 114.554 -0.574 0.000 2.908 186 T HA 0.418 4.768 4.350 -0.000 0.000 0.290 186 T C -0.601 173.780 174.700 -0.530 0.000 1.034 186 T CA -0.496 61.367 62.100 -0.396 0.000 1.010 186 T CB 2.063 70.677 68.868 -0.424 0.000 1.068 186 T HN 0.178 nan 8.240 nan 0.000 0.481 187 W N -0.053 121.134 121.300 -0.187 0.000 2.324 187 W HA 0.228 4.887 4.660 -0.000 0.000 0.316 187 W C 1.952 178.416 176.519 -0.092 0.000 0.927 187 W CA -0.035 57.238 57.345 -0.121 0.000 1.438 187 W CB 0.154 29.565 29.460 -0.082 0.000 1.085 187 W HN 0.918 nan 8.180 nan 0.000 0.532 188 T N -2.572 112.022 114.554 0.067 0.000 3.065 188 T HA 0.250 4.600 4.350 -0.000 0.000 0.252 188 T C 1.308 176.005 174.700 -0.005 0.000 1.099 188 T CA 0.345 62.469 62.100 0.040 0.000 1.063 188 T CB -0.246 68.641 68.868 0.032 0.000 0.948 188 T HN 0.006 nan 8.240 nan 0.000 0.506 189 G N 1.256 110.023 108.800 -0.055 0.000 2.321 189 G HA2 0.341 4.301 3.960 -0.000 0.000 0.237 189 G HA3 0.341 4.301 3.960 -0.000 0.000 0.237 189 G C -0.616 174.226 174.900 -0.096 0.000 1.282 189 G CA -0.359 44.686 45.100 -0.092 0.000 0.886 189 G HN 0.566 nan 8.290 nan 0.000 0.528 190 K N 1.681 122.002 120.400 -0.132 0.000 2.565 190 K HA 0.171 4.491 4.320 -0.000 0.000 0.251 190 K C -0.337 176.143 176.600 -0.200 0.000 0.956 190 K CA -0.672 55.537 56.287 -0.129 0.000 0.809 190 K CB 1.777 34.236 32.500 -0.067 0.000 1.267 190 K HN 0.634 nan 8.250 nan 0.000 0.438 191 E N 2.962 123.054 120.200 -0.181 0.000 2.558 191 E HA -0.119 4.231 4.350 -0.000 0.000 0.255 191 E C -0.623 175.886 176.600 -0.152 0.000 0.968 191 E CA 0.900 57.186 56.400 -0.190 0.000 0.939 191 E CB 0.297 29.922 29.700 -0.124 0.000 0.921 191 E HN 0.645 nan 8.360 nan 0.000 0.477 192 D N 2.275 122.559 120.400 -0.192 0.000 2.946 192 D HA -0.230 4.410 4.640 -0.000 0.000 0.202 192 D C 0.433 176.783 176.300 0.083 0.000 1.068 192 D CA 1.610 55.628 54.000 0.031 0.000 1.011 192 D CB -0.943 39.904 40.800 0.079 0.000 1.105 192 D HN 0.535 nan 8.370 nan 0.000 0.425 193 I N -1.153 119.374 120.570 -0.072 0.000 3.669 193 I HA 0.083 4.253 4.170 -0.000 0.000 0.255 193 I C 0.314 176.512 176.117 0.136 0.000 1.144 193 I CA -0.110 61.237 61.300 0.079 0.000 1.447 193 I CB 0.646 38.668 38.000 0.037 0.000 1.622 193 I HN -0.179 nan 8.210 nan 0.000 0.435 194 I N 1.664 122.232 120.570 -0.004 0.000 2.378 194 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 194 I C -1.327 174.787 176.117 -0.004 0.000 0.992 194 I CA -0.495 60.865 61.300 0.101 0.000 1.154 194 I CB 0.724 38.763 38.000 0.065 0.000 1.315 194 I HN 0.048 nan 8.210 nan 0.000 0.448 195 Y N 4.642 125.037 120.300 0.159 0.000 2.328 195 Y HA 0.403 4.953 4.550 -0.000 0.000 0.333 195 Y C 0.391 176.373 175.900 0.137 0.000 0.958 195 Y CA -0.843 57.354 58.100 0.161 0.000 1.167 195 Y CB 1.075 39.692 38.460 0.262 0.000 1.151 195 Y HN 0.413 nan 8.280 nan 0.000 0.470 196 N N 2.244 121.023 118.700 0.133 0.000 2.444 196 N HA 0.365 5.105 4.740 -0.000 0.000 0.262 196 N C 0.809 176.280 175.510 -0.066 0.000 0.974 196 N CA 0.411 53.466 53.050 0.008 0.000 0.933 196 N CB 1.846 40.215 38.487 -0.197 0.000 1.137 196 N HN 0.994 nan 8.380 nan 0.000 0.498 197 G N 1.574 110.373 108.800 -0.002 0.000 2.199 197 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 197 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 197 G C 0.123 174.920 174.900 -0.172 0.000 0.982 197 G CA 0.565 45.596 45.100 -0.116 0.000 0.632 197 G HN 0.651 nan 8.290 nan 0.000 0.529 198 I N -1.390 119.146 120.570 -0.056 0.000 2.934 198 I HA 0.824 4.994 4.170 -0.000 0.000 0.306 198 I C 0.403 176.575 176.117 0.092 0.000 1.110 198 I CA -0.627 60.546 61.300 -0.210 0.000 1.019 198 I CB 1.971 39.651 38.000 -0.535 0.000 1.227 198 I HN 0.175 nan 8.210 nan 0.000 0.434 199 T N -0.402 114.141 114.554 -0.019 0.000 2.899 199 T HA 0.344 4.694 4.350 -0.000 0.000 0.284 199 T C -0.160 174.336 174.700 -0.339 0.000 1.004 199 T CA -0.624 61.296 62.100 -0.300 0.000 1.043 199 T CB 1.260 70.047 68.868 -0.135 0.000 1.013 199 T HN 0.775 nan 8.240 nan 0.000 0.518 200 D N 0.037 119.994 120.400 -0.738 0.000 2.478 200 D HA 0.047 4.687 4.640 -0.000 0.000 0.274 200 D C 0.941 177.150 176.300 -0.153 0.000 1.234 200 D CA -1.123 52.474 54.000 -0.672 0.000 1.069 200 D CB 0.090 40.466 40.800 -0.707 0.000 1.113 200 D HN 0.701 nan 8.370 nan 0.000 0.571 201 W N 0.036 121.261 121.300 -0.125 0.000 2.333 201 W HA -0.193 4.467 4.660 -0.000 0.000 0.316 201 W C 2.118 178.513 176.519 -0.207 0.000 1.215 201 W CA 2.221 59.482 57.345 -0.139 0.000 1.278 201 W CB -0.377 28.955 29.460 -0.214 0.000 1.154 201 W HN 0.189 nan 8.180 nan 0.000 0.486 202 V N -0.273 119.691 119.914 0.083 0.000 2.591 202 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 202 V C 1.807 177.683 176.094 -0.364 0.000 1.053 202 V CA 1.774 64.019 62.300 -0.092 0.000 1.068 202 V CB -0.694 31.068 31.823 -0.101 0.000 0.689 202 V HN 0.275 nan 8.190 nan 0.000 0.462 203 Y N 0.807 120.857 120.300 -0.416 0.000 2.242 203 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 203 Y C 2.591 178.236 175.900 -0.426 0.000 1.137 203 Y CA 2.193 59.962 58.100 -0.553 0.000 1.181 203 Y CB -0.098 37.854 38.460 -0.848 0.000 0.989 203 Y HN 0.388 nan 8.280 nan 0.000 0.527 204 E N 0.311 120.391 120.200 -0.200 0.000 2.051 204 E HA -0.294 4.056 4.350 -0.000 0.000 0.192 204 E C 1.989 178.498 176.600 -0.153 0.000 0.991 204 E CA 1.606 57.947 56.400 -0.099 0.000 0.799 204 E CB -0.013 29.645 29.700 -0.071 0.000 0.748 204 E HN 0.392 nan 8.360 nan 0.000 0.449 205 E N 0.074 120.003 120.200 -0.451 0.000 2.112 205 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 205 E C 1.521 177.974 176.600 -0.245 0.000 0.979 205 E CA 1.304 57.432 56.400 -0.454 0.000 0.814 205 E CB 0.238 29.332 29.700 -1.010 0.000 0.762 205 E HN 0.233 nan 8.360 nan 0.000 0.460 206 E N -0.966 119.065 120.200 -0.283 0.000 2.434 206 E HA 0.122 4.472 4.350 -0.000 0.000 0.207 206 E C 1.609 178.064 176.600 -0.242 0.000 0.929 206 E CA 0.405 56.685 56.400 -0.200 0.000 1.001 206 E CB 1.048 30.619 29.700 -0.214 0.000 1.016 206 E HN 0.186 nan 8.360 nan 0.000 0.502 207 V N -0.272 119.433 119.914 -0.347 0.000 2.840 207 V HA 0.053 4.173 4.120 -0.000 0.000 0.234 207 V C 1.486 177.523 176.094 -0.095 0.000 1.159 207 V CA 0.626 62.695 62.300 -0.386 0.000 1.194 207 V CB -0.225 31.099 31.823 -0.833 0.000 0.971 207 V HN 0.007 nan 8.190 nan 0.000 0.494 208 F N 0.724 120.685 119.950 0.018 0.000 2.698 208 F HA 0.315 4.841 4.527 -0.000 0.000 0.295 208 F C 1.586 177.359 175.800 -0.045 0.000 1.124 208 F CA -0.067 57.961 58.000 0.047 0.000 1.426 208 F CB -0.773 38.289 39.000 0.104 0.000 1.120 208 F HN 0.114 nan 8.300 nan 0.000 0.583 209 S N 0.380 116.124 115.700 0.073 0.000 3.631 209 S HA 0.073 4.542 4.470 -0.000 0.000 0.366 209 S C 0.060 174.307 174.600 -0.588 0.000 0.993 209 S CA 0.450 58.600 58.200 -0.083 0.000 1.167 209 S CB -1.733 61.460 63.200 -0.011 0.000 0.909 209 S HN 0.728 nan 8.310 nan 0.000 0.478 210 A N -0.457 122.173 122.820 -0.317 0.000 2.590 210 A HA 0.638 4.958 4.320 -0.000 0.000 0.294 210 A C -0.315 177.251 177.584 -0.030 0.000 1.046 210 A CA -0.465 51.381 52.037 -0.319 0.000 0.684 210 A CB 0.206 19.063 19.000 -0.240 0.000 1.279 210 A HN 0.367 nan 8.150 nan 0.000 0.415 211 Y N 1.578 121.739 120.300 -0.231 0.000 2.365 211 Y HA 0.180 4.730 4.550 -0.000 0.000 0.293 211 Y C 1.604 177.243 175.900 -0.435 0.000 1.119 211 Y CA 1.220 59.187 58.100 -0.221 0.000 1.203 211 Y CB -0.060 38.301 38.460 -0.165 0.000 1.026 211 Y HN 0.715 nan 8.280 nan 0.000 0.549 212 S N 0.508 115.709 115.700 -0.831 0.000 2.549 212 S HA 0.413 4.883 4.470 -0.000 0.000 0.286 212 S C 0.259 174.398 174.600 -0.768 0.000 1.314 212 S CA 0.185 57.634 58.200 -1.250 0.000 1.062 212 S CB 0.326 62.506 63.200 -1.700 0.000 0.865 212 S HN 0.430 nan 8.310 nan 0.000 0.498 213 A N 5.188 127.574 122.820 -0.723 0.000 2.959 213 A HA 0.554 4.874 4.320 -0.000 0.000 0.280 213 A C -0.998 175.945 177.584 -1.068 0.000 0.953 213 A CA -0.397 51.167 52.037 -0.788 0.000 1.047 213 A CB 0.002 19.041 19.000 0.066 0.000 1.147 213 A HN 0.578 nan 8.150 nan 0.000 0.489 214 L N 0.355 120.811 121.223 -1.278 0.000 2.385 214 L HA 0.686 5.026 4.340 -0.000 0.000 0.273 214 L C -1.338 175.057 176.870 -0.792 0.000 0.990 214 L CA -0.653 53.765 54.840 -0.704 0.000 0.821 214 L CB 1.347 43.210 42.059 -0.327 0.000 1.279 214 L HN 0.449 nan 8.230 nan 0.000 0.412 215 W N 3.729 125.076 121.300 0.077 0.000 2.591 215 W HA 0.205 4.865 4.660 -0.000 0.000 0.311 215 W C -0.998 175.753 176.519 0.386 0.000 1.003 215 W CA -1.109 56.398 57.345 0.271 0.000 1.332 215 W CB 1.151 30.802 29.460 0.318 0.000 1.272 215 W HN 0.508 nan 8.180 nan 0.000 0.412 216 W N 2.415 123.922 121.300 0.345 0.000 2.170 216 W HA 0.201 4.861 4.660 -0.000 0.000 0.336 216 W C 1.353 177.691 176.519 -0.301 0.000 1.283 216 W CA 0.419 57.829 57.345 0.109 0.000 1.224 216 W CB 0.739 30.234 29.460 0.057 0.000 1.132 216 W HN 0.182 nan 8.180 nan 0.000 0.571 217 S N 2.392 117.790 115.700 -0.504 0.000 2.600 217 S HA 0.164 4.634 4.470 -0.000 0.000 0.265 217 S C -1.790 172.542 174.600 -0.447 0.000 1.325 217 S CA -1.009 56.349 58.200 -1.402 0.000 1.002 217 S CB 1.018 63.445 63.200 -1.288 0.000 0.921 217 S HN 0.294 nan 8.310 nan 0.000 0.554 218 P HA -0.048 nan 4.420 nan 0.000 0.219 218 P C 1.057 178.317 177.300 -0.066 0.000 1.146 218 P CA 0.895 63.952 63.100 -0.071 0.000 0.808 218 P CB -0.041 31.668 31.700 0.015 0.000 0.779 219 N N -1.081 117.562 118.700 -0.095 0.000 2.354 219 N HA -0.045 4.695 4.740 -0.000 0.000 0.179 219 N C 1.453 176.901 175.510 -0.104 0.000 1.021 219 N CA 1.519 54.523 53.050 -0.077 0.000 0.887 219 N CB -0.548 37.900 38.487 -0.066 0.000 0.974 219 N HN 0.122 nan 8.380 nan 0.000 0.437 220 G N -1.604 107.144 108.800 -0.087 0.000 2.176 220 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.253 220 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.253 220 G C 1.125 176.073 174.900 0.079 0.000 0.979 220 G CA 1.025 46.081 45.100 -0.074 0.000 0.641 220 G HN 0.391 nan 8.290 nan 0.000 0.530 221 T N -0.049 114.471 114.554 -0.056 0.000 2.812 221 T HA 0.274 4.624 4.350 -0.000 0.000 0.264 221 T C 0.700 175.223 174.700 -0.294 0.000 1.042 221 T CA 1.149 63.101 62.100 -0.247 0.000 1.140 221 T CB -0.068 68.511 68.868 -0.481 0.000 0.870 221 T HN 0.277 nan 8.240 nan 0.000 0.445 222 F N 0.595 120.575 119.950 0.050 0.000 2.450 222 F HA 0.533 5.060 4.527 -0.000 0.000 0.332 222 F C -0.090 175.761 175.800 0.086 0.000 1.093 222 F CA -1.291 56.768 58.000 0.099 0.000 1.003 222 F CB 1.098 40.228 39.000 0.217 0.000 1.151 222 F HN -0.088 nan 8.300 nan 0.000 0.474 223 L N 3.378 124.698 121.223 0.161 0.000 2.276 223 L HA 0.685 5.025 4.340 -0.000 0.000 0.286 223 L C -0.508 176.435 176.870 0.122 0.000 1.024 223 L CA -0.534 54.222 54.840 -0.140 0.000 0.826 223 L CB 0.771 42.519 42.059 -0.518 0.000 1.211 223 L HN 0.800 nan 8.230 nan 0.000 0.422 224 A N 5.326 128.305 122.820 0.264 0.000 2.310 224 A HA 0.662 4.982 4.320 -0.000 0.000 0.299 224 A C -1.216 176.451 177.584 0.139 0.000 1.147 224 A CA -0.284 51.817 52.037 0.107 0.000 0.818 224 A CB 0.755 19.930 19.000 0.292 0.000 1.096 224 A HN 0.731 nan 8.150 nan 0.000 0.495 225 Y N -1.472 118.658 120.300 -0.283 0.000 2.609 225 Y HA 0.763 5.313 4.550 -0.000 0.000 0.336 225 Y C -0.285 175.476 175.900 -0.232 0.000 1.129 225 Y CA -0.903 57.119 58.100 -0.130 0.000 1.040 225 Y CB 0.889 39.244 38.460 -0.174 0.000 1.310 225 Y HN 0.894 nan 8.280 nan 0.000 0.460 226 A N 2.000 124.952 122.820 0.220 0.000 2.311 226 A HA 0.698 5.018 4.320 -0.000 0.000 0.334 226 A C -1.186 176.377 177.584 -0.034 0.000 1.139 226 A CA -0.868 51.167 52.037 -0.002 0.000 0.830 226 A CB 1.757 20.741 19.000 -0.026 0.000 1.234 226 A HN 0.812 nan 8.150 nan 0.000 0.483 227 Q N 0.735 120.402 119.800 -0.222 0.000 2.321 227 Q HA 0.598 4.938 4.340 -0.000 0.000 0.270 227 Q C -2.075 173.735 176.000 -0.317 0.000 1.032 227 Q CA -0.324 55.443 55.803 -0.059 0.000 0.784 227 Q CB 1.135 30.034 28.738 0.269 0.000 1.264 227 Q HN 0.608 nan 8.270 nan 0.000 0.448 228 F N 2.058 122.110 119.950 0.170 0.000 2.492 228 F HA 0.479 5.006 4.527 -0.000 0.000 0.327 228 F C 0.420 176.355 175.800 0.226 0.000 1.079 228 F CA -0.884 57.178 58.000 0.104 0.000 0.967 228 F CB 1.542 40.499 39.000 -0.071 0.000 1.169 228 F HN 0.412 nan 8.300 nan 0.000 0.472 229 N N 1.477 120.390 118.700 0.354 0.000 2.448 229 N HA 0.234 4.974 4.740 -0.000 0.000 0.279 229 N C -1.177 174.492 175.510 0.266 0.000 1.025 229 N CA -0.307 52.915 53.050 0.287 0.000 0.898 229 N CB 1.383 39.987 38.487 0.195 0.000 1.303 229 N HN 0.586 nan 8.380 nan 0.000 0.495 230 D N 1.311 121.886 120.400 0.291 0.000 2.440 230 D HA 0.150 4.790 4.640 -0.000 0.000 0.216 230 D C 1.235 177.644 176.300 0.181 0.000 1.150 230 D CA 0.102 54.251 54.000 0.249 0.000 0.832 230 D CB 0.601 41.600 40.800 0.331 0.000 0.992 230 D HN 0.467 nan 8.370 nan 0.000 0.502 231 T N 0.471 115.116 114.554 0.153 0.000 2.684 231 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 231 T C 1.234 175.987 174.700 0.089 0.000 1.032 231 T CA 1.539 63.704 62.100 0.108 0.000 1.155 231 T CB -0.032 68.890 68.868 0.090 0.000 0.857 231 T HN 0.344 nan 8.240 nan 0.000 0.457 232 E N -0.186 120.068 120.200 0.089 0.000 2.583 232 E HA 0.190 4.540 4.350 -0.000 0.000 0.213 232 E C -0.354 176.290 176.600 0.072 0.000 0.989 232 E CA -0.222 56.219 56.400 0.069 0.000 0.991 232 E CB 0.829 30.563 29.700 0.057 0.000 1.040 232 E HN 0.187 nan 8.360 nan 0.000 0.481 233 V N 4.027 123.996 119.914 0.092 0.000 2.529 233 V HA 0.046 4.166 4.120 -0.000 0.000 0.292 233 V C -1.973 174.170 176.094 0.082 0.000 1.028 233 V CA -1.095 61.261 62.300 0.092 0.000 1.074 233 V CB 0.016 31.908 31.823 0.115 0.000 0.958 233 V HN 0.038 nan 8.190 nan 0.000 0.481 234 P HA 0.304 nan 4.420 nan 0.000 0.272 234 P C -0.779 176.552 177.300 0.052 0.000 1.240 234 P CA -0.351 62.781 63.100 0.053 0.000 0.791 234 P CB 0.526 32.255 31.700 0.047 0.000 0.978 235 L N 1.948 123.181 121.223 0.015 0.000 2.296 235 L HA 0.407 4.747 4.340 -0.000 0.000 0.286 235 L C 0.298 177.118 176.870 -0.083 0.000 1.023 235 L CA -0.917 53.915 54.840 -0.014 0.000 0.812 235 L CB 1.052 43.099 42.059 -0.019 0.000 1.223 235 L HN 0.293 nan 8.230 nan 0.000 0.421 236 I N 3.672 124.146 120.570 -0.161 0.000 2.441 236 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 236 I C -0.024 175.950 176.117 -0.238 0.000 1.049 236 I CA 0.221 61.328 61.300 -0.323 0.000 1.381 236 I CB 0.923 38.465 38.000 -0.764 0.000 1.409 236 I HN 0.727 nan 8.210 nan 0.000 0.523 237 E N 8.028 128.110 120.200 -0.197 0.000 2.238 237 E HA 0.535 4.885 4.350 -0.000 0.000 0.267 237 E C -1.708 174.838 176.600 -0.089 0.000 0.887 237 E CA -0.590 55.697 56.400 -0.189 0.000 0.769 237 E CB 2.518 32.130 29.700 -0.146 0.000 1.187 237 E HN 0.530 nan 8.360 nan 0.000 0.416 238 Y N -2.289 117.922 120.300 -0.148 0.000 2.604 238 Y HA 0.435 4.985 4.550 -0.000 0.000 0.331 238 Y C -0.967 174.855 175.900 -0.130 0.000 1.158 238 Y CA -1.239 56.776 58.100 -0.141 0.000 1.056 238 Y CB 0.707 39.090 38.460 -0.129 0.000 1.330 238 Y HN 0.241 nan 8.280 nan 0.000 0.457 239 S N 2.440 118.121 115.700 -0.032 0.000 2.565 239 S HA 0.447 4.917 4.470 -0.000 0.000 0.276 239 S C -1.216 173.235 174.600 -0.247 0.000 1.326 239 S CA -0.361 57.678 58.200 -0.269 0.000 1.045 239 S CB 0.502 63.391 63.200 -0.518 0.000 0.918 239 S HN 0.539 nan 8.310 nan 0.000 0.505 240 F N 2.170 121.880 119.950 -0.401 0.000 2.482 240 F HA 0.468 4.995 4.527 -0.000 0.000 0.331 240 F C -0.258 175.331 175.800 -0.352 0.000 1.115 240 F CA -0.901 56.943 58.000 -0.260 0.000 0.955 240 F CB 0.913 39.881 39.000 -0.053 0.000 1.136 240 F HN 0.613 nan 8.300 nan 0.000 0.452 241 Y N 2.661 122.717 120.300 -0.407 0.000 2.503 241 Y HA 0.188 4.738 4.550 -0.000 0.000 0.277 241 Y C 1.590 177.380 175.900 -0.183 0.000 1.102 241 Y CA 0.961 58.925 58.100 -0.227 0.000 1.261 241 Y CB -0.501 37.821 38.460 -0.230 0.000 1.096 241 Y HN 0.751 nan 8.280 nan 0.000 0.546 242 S N -0.237 115.307 115.700 -0.261 0.000 3.513 242 S HA -0.223 4.247 4.470 -0.000 0.000 0.636 242 S C -0.592 174.032 174.600 0.040 0.000 2.452 242 S CA 0.241 58.462 58.200 0.036 0.000 2.644 242 S CB -1.176 62.176 63.200 0.252 0.000 0.331 242 S HN 0.432 nan 8.310 nan 0.000 1.787 243 D N 1.593 122.045 120.400 0.088 0.000 2.400 243 D HA 0.187 4.827 4.640 -0.000 0.000 0.238 243 D C 1.369 177.694 176.300 0.041 0.000 1.157 243 D CA 0.571 54.605 54.000 0.058 0.000 0.889 243 D CB 0.223 41.062 40.800 0.065 0.000 1.199 243 D HN 0.593 nan 8.370 nan 0.000 0.436 244 E N 0.555 120.768 120.200 0.022 0.000 2.233 244 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 244 E C 1.415 178.023 176.600 0.014 0.000 1.004 244 E CA 1.416 57.822 56.400 0.009 0.000 0.819 244 E CB 0.148 29.848 29.700 0.000 0.000 0.738 244 E HN 0.455 nan 8.360 nan 0.000 0.478 245 S N 0.057 115.772 115.700 0.025 0.000 2.453 245 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 245 S C 1.152 175.774 174.600 0.036 0.000 1.005 245 S CA -0.045 58.170 58.200 0.026 0.000 0.949 245 S CB -0.183 63.035 63.200 0.031 0.000 0.774 245 S HN 0.251 nan 8.310 nan 0.000 0.510 246 L N 2.360 123.614 121.223 0.050 0.000 2.477 246 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 246 L C 1.581 178.480 176.870 0.049 0.000 1.157 246 L CA 0.097 54.978 54.840 0.068 0.000 0.889 246 L CB 1.055 43.169 42.059 0.093 0.000 1.158 246 L HN 0.460 nan 8.230 nan 0.000 0.473 247 Q N 4.194 124.027 119.800 0.055 0.000 2.123 247 Q HA -0.054 4.286 4.340 -0.000 0.000 0.196 247 Q C -0.597 175.312 176.000 -0.152 0.000 0.958 247 Q CA 0.980 56.759 55.803 -0.040 0.000 0.841 247 Q CB 0.230 28.962 28.738 -0.010 0.000 0.915 247 Q HN 0.601 nan 8.270 nan 0.000 0.455 248 Y N 1.306 121.619 120.300 0.022 0.000 2.331 248 Y HA 0.388 4.938 4.550 -0.000 0.000 0.338 248 Y C -2.014 173.898 175.900 0.019 0.000 0.992 248 Y CA -2.912 55.198 58.100 0.017 0.000 1.121 248 Y CB 1.164 39.626 38.460 0.003 0.000 1.184 248 Y HN 0.182 nan 8.280 nan 0.000 0.469 249 P HA -0.027 nan 4.420 nan 0.000 0.266 249 P C -0.449 176.866 177.300 0.025 0.000 1.193 249 P CA -0.249 62.876 63.100 0.042 0.000 0.770 249 P CB 0.732 32.411 31.700 -0.035 0.000 0.836 250 K N 1.122 121.523 120.400 0.002 0.000 2.118 250 K HA 0.335 4.655 4.320 -0.000 0.000 0.264 250 K C -0.567 175.989 176.600 -0.074 0.000 1.000 250 K CA -0.269 56.018 56.287 -0.000 0.000 0.929 250 K CB 0.588 33.122 32.500 0.056 0.000 1.021 250 K HN 0.356 nan 8.250 nan 0.000 0.463 251 T N 2.493 116.989 114.554 -0.097 0.000 2.758 251 T HA 0.257 4.607 4.350 -0.000 0.000 0.285 251 T C -0.604 173.967 174.700 -0.215 0.000 0.981 251 T CA -0.625 61.379 62.100 -0.160 0.000 0.965 251 T CB 1.183 69.972 68.868 -0.132 0.000 0.927 251 T HN 0.238 nan 8.240 nan 0.000 0.448 252 V N 5.060 124.745 119.914 -0.382 0.000 2.509 252 V HA 0.510 4.630 4.120 -0.000 0.000 0.284 252 V C 0.330 176.147 176.094 -0.462 0.000 1.047 252 V CA -0.632 61.391 62.300 -0.462 0.000 0.952 252 V CB 1.171 32.552 31.823 -0.737 0.000 0.988 252 V HN 0.716 nan 8.190 nan 0.000 0.469 253 R N 3.066 123.426 120.500 -0.234 0.000 2.483 253 R HA 0.710 5.050 4.340 -0.000 0.000 0.303 253 R C -1.748 174.536 176.300 -0.027 0.000 0.987 253 R CA -0.484 55.528 56.100 -0.147 0.000 0.881 253 R CB 2.264 32.507 30.300 -0.096 0.000 1.177 253 R HN 0.536 nan 8.270 nan 0.000 0.451 254 V N 4.240 124.143 119.914 -0.018 0.000 2.531 254 V HA 0.370 4.490 4.120 -0.000 0.000 0.301 254 V C -2.348 173.792 176.094 0.076 0.000 1.034 254 V CA -2.461 59.891 62.300 0.088 0.000 0.865 254 V CB 2.100 33.936 31.823 0.022 0.000 0.995 254 V HN 0.611 nan 8.190 nan 0.000 0.424 255 P HA 0.168 nan 4.420 nan 0.000 0.267 255 P C -1.282 176.114 177.300 0.161 0.000 1.209 255 P CA 0.323 63.520 63.100 0.161 0.000 0.763 255 P CB -0.090 31.744 31.700 0.223 0.000 0.816 256 Y N 5.798 126.068 120.300 -0.049 0.000 2.278 256 Y HA 0.301 4.851 4.550 -0.000 0.000 0.328 256 Y C -2.771 173.087 175.900 -0.069 0.000 1.166 256 Y CA -2.587 55.430 58.100 -0.139 0.000 1.211 256 Y CB 1.551 39.812 38.460 -0.332 0.000 1.167 256 Y HN 0.285 nan 8.280 nan 0.000 0.434 257 P HA 0.222 nan 4.420 nan 0.000 0.281 257 P C -0.772 176.523 177.300 -0.009 0.000 1.286 257 P CA -0.035 63.059 63.100 -0.010 0.000 0.772 257 P CB 1.244 32.933 31.700 -0.019 0.000 0.862 258 K N 1.996 122.497 120.400 0.169 0.000 2.102 258 K HA 0.499 4.819 4.320 -0.000 0.000 0.244 258 K C 0.564 177.251 176.600 0.146 0.000 1.021 258 K CA -0.736 55.680 56.287 0.215 0.000 0.913 258 K CB 0.600 33.263 32.500 0.272 0.000 1.062 258 K HN 0.436 nan 8.250 nan 0.000 0.485 259 A N 0.621 123.558 122.820 0.195 0.000 2.548 259 A HA 0.317 4.637 4.320 -0.000 0.000 0.247 259 A C 1.145 178.776 177.584 0.077 0.000 1.067 259 A CA 0.957 53.103 52.037 0.182 0.000 0.757 259 A CB -1.078 18.125 19.000 0.337 0.000 0.996 259 A HN 0.894 nan 8.150 nan 0.000 0.504 260 G N 0.888 109.719 108.800 0.051 0.000 2.199 260 G HA2 0.118 4.078 3.960 -0.000 0.000 0.254 260 G HA3 0.118 4.078 3.960 -0.000 0.000 0.254 260 G C 0.661 175.572 174.900 0.018 0.000 0.982 260 G CA 0.630 45.732 45.100 0.004 0.000 0.632 260 G HN 2.144 nan 8.290 nan 0.000 0.529 261 A N -0.233 122.612 122.820 0.043 0.000 2.280 261 A HA 0.735 5.055 4.320 -0.000 0.000 0.268 261 A C 0.908 178.515 177.584 0.040 0.000 1.111 261 A CA 0.318 52.382 52.037 0.045 0.000 0.814 261 A CB 0.643 19.683 19.000 0.066 0.000 1.093 261 A HN 1.190 nan 8.150 nan 0.000 0.498 262 V N 1.957 121.895 119.914 0.040 0.000 2.540 262 V HA -0.016 4.104 4.120 -0.000 0.000 0.297 262 V C 0.661 176.788 176.094 0.054 0.000 1.024 262 V CA 0.418 62.742 62.300 0.040 0.000 1.105 262 V CB -0.449 31.399 31.823 0.043 0.000 0.938 262 V HN 0.854 nan 8.190 nan 0.000 0.482 263 N N 5.761 124.492 118.700 0.052 0.000 2.492 263 N HA 0.424 5.164 4.740 -0.000 0.000 0.289 263 N C -2.446 173.132 175.510 0.113 0.000 1.133 263 N CA -1.419 51.681 53.050 0.083 0.000 0.961 263 N CB 1.423 39.957 38.487 0.078 0.000 1.186 263 N HN 0.465 nan 8.380 nan 0.000 0.493 264 P HA -0.016 nan 4.420 nan 0.000 0.268 264 P C -0.640 176.791 177.300 0.219 0.000 1.208 264 P CA 0.004 63.240 63.100 0.227 0.000 0.777 264 P CB 0.407 32.290 31.700 0.305 0.000 0.875 265 T N -1.174 113.490 114.554 0.183 0.000 2.945 265 T HA 0.585 4.935 4.350 -0.000 0.000 0.286 265 T C -0.306 174.488 174.700 0.157 0.000 1.025 265 T CA -0.850 61.321 62.100 0.119 0.000 1.039 265 T CB 1.577 70.489 68.868 0.073 0.000 1.068 265 T HN 0.336 nan 8.240 nan 0.000 0.497 266 V N 0.792 120.769 119.914 0.105 0.000 2.876 266 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 266 V C -1.411 174.723 176.094 0.066 0.000 1.085 266 V CA -0.858 61.448 62.300 0.009 0.000 0.945 266 V CB 2.050 33.876 31.823 0.005 0.000 1.017 266 V HN 1.063 nan 8.190 nan 0.000 0.428 267 K N 4.193 124.572 120.400 -0.034 0.000 2.443 267 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 267 K C -1.954 174.546 176.600 -0.166 0.000 0.972 267 K CA -0.504 55.744 56.287 -0.065 0.000 0.833 267 K CB 2.808 35.246 32.500 -0.104 0.000 1.317 267 K HN 0.568 nan 8.250 nan 0.000 0.441 268 F N 1.984 121.638 119.950 -0.494 0.000 2.520 268 F HA 0.573 5.100 4.527 -0.000 0.000 0.322 268 F C -1.505 173.781 175.800 -0.856 0.000 1.103 268 F CA -0.638 57.055 58.000 -0.512 0.000 0.926 268 F CB 0.894 39.707 39.000 -0.313 0.000 1.154 268 F HN 0.372 nan 8.300 nan 0.000 0.453 269 F N 3.938 123.146 119.950 -1.236 0.000 2.599 269 F HA 0.760 5.287 4.527 -0.000 0.000 0.311 269 F C -1.027 174.105 175.800 -1.114 0.000 1.076 269 F CA -1.153 56.234 58.000 -1.020 0.000 0.937 269 F CB 2.210 40.495 39.000 -1.192 0.000 1.282 269 F HN 0.136 nan 8.300 nan 0.000 0.460 270 V N 2.680 122.366 119.914 -0.379 0.000 2.623 270 V HA 0.627 4.747 4.120 -0.000 0.000 0.304 270 V C -0.964 175.195 176.094 0.109 0.000 1.054 270 V CA -0.800 61.361 62.300 -0.231 0.000 0.882 270 V CB 1.846 33.367 31.823 -0.503 0.000 1.002 270 V HN 0.544 nan 8.190 nan 0.000 0.424 271 V N 3.015 123.059 119.914 0.216 0.000 2.715 271 V HA 0.510 4.630 4.120 -0.000 0.000 0.310 271 V C -0.053 176.253 176.094 0.354 0.000 1.054 271 V CA -0.834 61.629 62.300 0.270 0.000 0.928 271 V CB 2.198 34.127 31.823 0.176 0.000 1.007 271 V HN 0.861 nan 8.190 nan 0.000 0.437 272 N N 1.848 120.731 118.700 0.305 0.000 2.420 272 N HA 0.107 4.847 4.740 -0.000 0.000 0.249 272 N C 0.743 176.248 175.510 -0.009 0.000 1.033 272 N CA 0.195 53.317 53.050 0.120 0.000 0.944 272 N CB 1.669 40.217 38.487 0.101 0.000 1.113 272 N HN 0.766 nan 8.380 nan 0.000 0.502 273 T N 1.716 116.243 114.554 -0.044 0.000 3.113 273 T HA 0.038 4.388 4.350 -0.000 0.000 0.256 273 T C 0.468 175.132 174.700 -0.061 0.000 1.131 273 T CA 0.618 62.712 62.100 -0.010 0.000 1.074 273 T CB 0.127 69.083 68.868 0.147 0.000 0.944 273 T HN 0.412 nan 8.240 nan 0.000 0.516 274 D N 0.714 121.049 120.400 -0.108 0.000 2.348 274 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 274 D C 1.570 177.816 176.300 -0.090 0.000 0.998 274 D CA 0.498 54.437 54.000 -0.102 0.000 0.873 274 D CB 0.216 40.938 40.800 -0.130 0.000 0.925 274 D HN 0.516 nan 8.370 nan 0.000 0.524 275 S N -0.331 115.316 115.700 -0.088 0.000 2.651 275 S HA 0.259 4.729 4.470 -0.000 0.000 0.246 275 S C 0.466 175.005 174.600 -0.101 0.000 1.039 275 S CA -0.576 57.587 58.200 -0.063 0.000 1.013 275 S CB -0.302 62.892 63.200 -0.010 0.000 0.861 275 S HN -0.014 nan 8.310 nan 0.000 0.485 276 L N 2.166 123.256 121.223 -0.222 0.000 2.426 276 L HA 0.462 4.802 4.340 -0.000 0.000 0.271 276 L C 0.585 177.258 176.870 -0.327 0.000 1.169 276 L CA -0.205 54.403 54.840 -0.386 0.000 0.836 276 L CB 1.172 42.716 42.059 -0.859 0.000 1.112 276 L HN 0.334 nan 8.230 nan 0.000 0.465 277 S N 0.520 116.145 115.700 -0.126 0.000 2.503 277 S HA 0.277 4.747 4.470 -0.000 0.000 0.301 277 S C 0.832 175.621 174.600 0.315 0.000 1.087 277 S CA -0.659 57.590 58.200 0.081 0.000 1.042 277 S CB 1.887 65.132 63.200 0.074 0.000 1.043 277 S HN 0.615 nan 8.310 nan 0.000 0.489 278 S N 2.261 118.171 115.700 0.351 0.000 2.382 278 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 278 S C 1.625 176.340 174.600 0.192 0.000 1.027 278 S CA 1.616 59.994 58.200 0.297 0.000 0.991 278 S CB -0.282 63.023 63.200 0.176 0.000 0.823 278 S HN 0.947 nan 8.310 nan 0.000 0.469 279 V N -2.414 117.590 119.914 0.150 0.000 3.605 279 V HA 0.326 4.446 4.120 -0.000 0.000 0.284 279 V C 0.293 176.445 176.094 0.096 0.000 1.386 279 V CA -0.063 62.301 62.300 0.107 0.000 1.053 279 V CB 0.038 31.906 31.823 0.075 0.000 0.857 279 V HN 0.147 nan 8.190 nan 0.000 0.436 280 T N 2.645 117.265 114.554 0.110 0.000 2.797 280 T HA 0.443 4.793 4.350 -0.000 0.000 0.279 280 T C -0.249 174.523 174.700 0.121 0.000 0.991 280 T CA -0.300 61.851 62.100 0.086 0.000 0.979 280 T CB 1.124 70.029 68.868 0.063 0.000 0.943 280 T HN 0.306 nan 8.240 nan 0.000 0.444 281 N N 2.076 120.837 118.700 0.102 0.000 2.345 281 N HA 0.266 5.006 4.740 -0.000 0.000 0.243 281 N C 0.162 175.749 175.510 0.128 0.000 1.246 281 N CA -0.030 53.114 53.050 0.156 0.000 0.863 281 N CB 0.316 38.839 38.487 0.059 0.000 1.096 281 N HN 0.820 nan 8.380 nan 0.000 0.446 282 A N 1.417 124.327 122.820 0.151 0.000 2.371 282 A HA 0.374 4.694 4.320 -0.000 0.000 0.257 282 A C 0.154 177.791 177.584 0.089 0.000 1.089 282 A CA -0.144 51.947 52.037 0.089 0.000 0.794 282 A CB 0.208 19.241 19.000 0.056 0.000 1.029 282 A HN 0.538 nan 8.150 nan 0.000 0.488 283 T N 2.363 116.969 114.554 0.087 0.000 2.749 283 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 283 T C 0.031 174.809 174.700 0.131 0.000 0.970 283 T CA -0.062 62.099 62.100 0.100 0.000 0.980 283 T CB 0.772 69.704 68.868 0.106 0.000 0.924 283 T HN 0.552 nan 8.240 nan 0.000 0.456 284 S N 3.067 118.838 115.700 0.118 0.000 2.480 284 S HA 0.485 4.955 4.470 -0.000 0.000 0.286 284 S C -0.026 174.717 174.600 0.239 0.000 1.180 284 S CA -0.722 57.573 58.200 0.158 0.000 1.075 284 S CB 0.402 63.628 63.200 0.043 0.000 0.996 284 S HN 0.454 nan 8.310 nan 0.000 0.487 285 I N 2.921 123.653 120.570 0.270 0.000 2.342 285 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 285 I C 0.580 176.824 176.117 0.213 0.000 1.010 285 I CA -0.002 61.465 61.300 0.279 0.000 1.308 285 I CB 0.883 39.112 38.000 0.382 0.000 1.400 285 I HN 0.592 nan 8.210 nan 0.000 0.488 286 Q N 5.787 125.690 119.800 0.171 0.000 2.340 286 Q HA 0.505 4.845 4.340 -0.000 0.000 0.249 286 Q C -1.016 174.920 176.000 -0.107 0.000 0.957 286 Q CA -0.300 55.396 55.803 -0.178 0.000 0.882 286 Q CB 0.963 29.557 28.738 -0.241 0.000 1.235 286 Q HN 0.557 nan 8.270 nan 0.000 0.439 287 I N 3.128 123.611 120.570 -0.145 0.000 2.382 287 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 287 I C -0.305 175.800 176.117 -0.020 0.000 1.002 287 I CA -0.587 60.700 61.300 -0.022 0.000 1.135 287 I CB 1.956 39.971 38.000 0.026 0.000 1.288 287 I HN 0.566 nan 8.210 nan 0.000 0.448 288 T N 5.022 119.534 114.554 -0.071 0.000 2.910 288 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 288 T C 0.525 175.047 174.700 -0.296 0.000 1.015 288 T CA -0.382 61.623 62.100 -0.159 0.000 1.094 288 T CB 1.369 70.142 68.868 -0.159 0.000 0.968 288 T HN 0.679 nan 8.240 nan 0.000 0.521 289 A N 4.110 126.519 122.820 -0.685 0.000 2.406 289 A HA 0.462 4.782 4.320 -0.000 0.000 0.243 289 A C -2.220 174.890 177.584 -0.790 0.000 1.082 289 A CA -1.181 50.014 52.037 -1.404 0.000 0.786 289 A CB -0.595 17.092 19.000 -2.189 0.000 1.029 289 A HN 0.521 nan 8.150 nan 0.000 0.495 290 P HA 0.196 nan 4.420 nan 0.000 0.268 290 P C 0.744 177.826 177.300 -0.363 0.000 1.205 290 P CA 0.650 63.518 63.100 -0.385 0.000 0.771 290 P CB 0.724 32.266 31.700 -0.263 0.000 0.858 291 A N 2.914 125.589 122.820 -0.241 0.000 1.997 291 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 291 A C 2.026 179.495 177.584 -0.192 0.000 1.172 291 A CA 2.420 54.335 52.037 -0.203 0.000 0.645 291 A CB -1.677 17.241 19.000 -0.137 0.000 0.813 291 A HN 0.623 nan 8.150 nan 0.000 0.454 292 S N -1.581 114.026 115.700 -0.156 0.000 2.515 292 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 292 S C 1.648 176.161 174.600 -0.145 0.000 0.987 292 S CA 1.246 59.377 58.200 -0.115 0.000 0.936 292 S CB -0.217 62.980 63.200 -0.003 0.000 0.766 292 S HN 0.416 nan 8.310 nan 0.000 0.528 293 M N 0.778 120.224 119.600 -0.257 0.000 2.466 293 M HA 0.356 4.836 4.480 -0.000 0.000 0.265 293 M C 1.798 177.820 176.300 -0.464 0.000 1.122 293 M CA 0.666 55.746 55.300 -0.367 0.000 1.157 293 M CB -1.018 31.208 32.600 -0.624 0.000 1.352 293 M HN 0.335 nan 8.290 nan 0.000 0.464 294 L N 0.881 121.841 121.223 -0.438 0.000 2.465 294 L HA -0.057 4.283 4.340 -0.000 0.000 0.224 294 L C 2.078 178.865 176.870 -0.138 0.000 1.145 294 L CA 0.437 55.092 54.840 -0.307 0.000 0.834 294 L CB -0.688 41.211 42.059 -0.268 0.000 0.944 294 L HN 0.293 nan 8.230 nan 0.000 0.451 295 I N -2.688 117.805 120.570 -0.129 0.000 3.334 295 I HA 0.241 4.411 4.170 -0.000 0.000 0.282 295 I C 0.875 176.962 176.117 -0.051 0.000 1.313 295 I CA 0.229 61.479 61.300 -0.084 0.000 1.396 295 I CB -0.553 37.390 38.000 -0.095 0.000 1.054 295 I HN 0.091 nan 8.210 nan 0.000 0.495 296 G N 0.103 108.892 108.800 -0.018 0.000 2.428 296 G HA2 0.164 4.124 3.960 -0.000 0.000 0.304 296 G HA3 0.164 4.124 3.960 -0.000 0.000 0.304 296 G C -1.878 173.071 174.900 0.082 0.000 1.303 296 G CA -0.695 44.410 45.100 0.008 0.000 0.825 296 G HN 0.031 nan 8.290 nan 0.000 0.484 297 D N 0.838 121.237 120.400 -0.001 0.000 2.414 297 D HA 0.507 5.147 4.640 -0.000 0.000 0.242 297 D C 0.281 176.514 176.300 -0.111 0.000 1.129 297 D CA 0.930 54.871 54.000 -0.098 0.000 0.885 297 D CB 0.868 41.571 40.800 -0.161 0.000 1.198 297 D HN 0.660 nan 8.370 nan 0.000 0.437 298 H N -1.665 117.251 119.070 -0.257 0.000 3.014 298 H HA 0.550 5.106 4.556 -0.000 0.000 0.337 298 H C -1.654 173.555 175.328 -0.199 0.000 1.320 298 H CA -1.004 54.914 56.048 -0.217 0.000 1.128 298 H CB 0.432 30.186 29.762 -0.012 0.000 1.862 298 H HN 0.214 nan 8.280 nan 0.000 0.536 299 Y N 0.555 121.051 120.300 0.327 0.000 2.446 299 Y HA 0.311 4.861 4.550 -0.000 0.000 0.345 299 Y C -0.328 175.836 175.900 0.441 0.000 0.984 299 Y CA -1.378 56.921 58.100 0.332 0.000 1.058 299 Y CB 1.936 40.456 38.460 0.099 0.000 1.220 299 Y HN 0.568 nan 8.280 nan 0.000 0.455 300 L N 4.325 125.864 121.223 0.526 0.000 2.313 300 L HA 0.185 4.525 4.340 -0.000 0.000 0.282 300 L C 0.516 177.492 176.870 0.177 0.000 1.092 300 L CA 0.182 55.002 54.840 -0.035 0.000 0.831 300 L CB 0.396 42.303 42.059 -0.253 0.000 1.159 300 L HN 1.141 nan 8.230 nan 0.000 0.442 301 C N 1.212 120.525 119.300 0.022 0.000 3.364 301 C HA 0.465 4.925 4.460 -0.000 0.000 0.340 301 C C 0.312 175.400 174.990 0.163 0.000 1.336 301 C CA -0.436 58.659 59.018 0.129 0.000 1.778 301 C CB -0.131 27.647 27.740 0.063 0.000 2.398 301 C HN 0.836 nan 8.230 nan 0.000 0.667 302 D N -0.005 120.342 120.400 -0.087 0.000 2.947 302 D HA 0.619 5.259 4.640 -0.000 0.000 0.224 302 D C -1.403 174.579 176.300 -0.530 0.000 1.230 302 D CA -0.149 53.732 54.000 -0.198 0.000 0.871 302 D CB 2.399 43.094 40.800 -0.174 0.000 1.671 302 D HN 0.074 nan 8.370 nan 0.000 0.507 303 V N 2.466 121.965 119.914 -0.692 0.000 2.577 303 V HA 0.713 4.833 4.120 -0.000 0.000 0.303 303 V C -0.581 175.076 176.094 -0.728 0.000 1.042 303 V CA -0.517 61.154 62.300 -1.049 0.000 0.872 303 V CB 1.969 32.573 31.823 -2.033 0.000 0.998 303 V HN 0.719 nan 8.190 nan 0.000 0.423 304 T N 3.251 117.455 114.554 -0.583 0.000 3.237 304 T HA 0.325 4.675 4.350 -0.000 0.000 0.319 304 T C -1.046 173.453 174.700 -0.335 0.000 1.037 304 T CA -0.505 61.421 62.100 -0.290 0.000 1.048 304 T CB 0.853 69.636 68.868 -0.142 0.000 1.081 304 T HN 0.528 nan 8.240 nan 0.000 0.455 305 W N 2.255 123.460 121.300 -0.157 0.000 2.253 305 W HA 0.484 5.144 4.660 -0.000 0.000 0.322 305 W C 1.163 177.521 176.519 -0.269 0.000 1.342 305 W CA -0.352 56.898 57.345 -0.159 0.000 1.218 305 W CB 0.564 30.026 29.460 0.003 0.000 1.205 305 W HN 0.874 nan 8.180 nan 0.000 0.551 306 A N 2.242 124.911 122.820 -0.252 0.000 1.924 306 A HA 0.175 4.495 4.320 -0.000 0.000 0.211 306 A C 0.976 178.512 177.584 -0.080 0.000 1.198 306 A CA 1.578 53.261 52.037 -0.591 0.000 0.657 306 A CB -0.321 17.950 19.000 -1.215 0.000 0.852 306 A HN 0.542 nan 8.150 nan 0.000 0.454 307 T N -5.675 108.934 114.554 0.092 0.000 2.618 307 T HA 0.316 4.666 4.350 -0.000 0.000 0.293 307 T C 0.146 175.009 174.700 0.271 0.000 1.093 307 T CA -0.310 61.891 62.100 0.169 0.000 1.061 307 T CB 0.524 69.481 68.868 0.148 0.000 1.498 307 T HN -0.035 nan 8.240 nan 0.000 0.494 308 Q N 0.385 120.313 119.800 0.214 0.000 2.291 308 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 308 Q C 0.845 177.093 176.000 0.412 0.000 0.976 308 Q CA 1.442 57.379 55.803 0.222 0.000 0.875 308 Q CB -0.112 28.724 28.738 0.164 0.000 0.927 308 Q HN 0.824 nan 8.270 nan 0.000 0.450 309 E N -0.208 120.239 120.200 0.412 0.000 2.759 309 E HA 0.186 4.536 4.350 -0.000 0.000 0.220 309 E C -0.147 176.712 176.600 0.433 0.000 0.974 309 E CA -0.179 56.473 56.400 0.419 0.000 1.148 309 E CB 1.084 30.948 29.700 0.273 0.000 1.059 309 E HN -0.016 nan 8.360 nan 0.000 0.493 310 R N 1.677 122.423 120.500 0.411 0.000 2.532 310 R HA 0.484 4.824 4.340 -0.000 0.000 0.297 310 R C -1.407 174.878 176.300 -0.025 0.000 0.984 310 R CA -0.372 55.850 56.100 0.203 0.000 0.884 310 R CB 1.075 31.405 30.300 0.051 0.000 1.182 310 R HN -0.052 nan 8.270 nan 0.000 0.442 311 I N 2.086 122.489 120.570 -0.278 0.000 2.474 311 I HA 0.298 4.468 4.170 -0.000 0.000 0.294 311 I C -0.215 175.576 176.117 -0.543 0.000 1.005 311 I CA -0.918 59.956 61.300 -0.709 0.000 1.113 311 I CB 2.169 39.478 38.000 -1.152 0.000 1.289 311 I HN 0.490 nan 8.210 nan 0.000 0.436 312 S N 6.738 122.091 115.700 -0.578 0.000 2.437 312 S HA 0.703 5.173 4.470 -0.000 0.000 0.305 312 S C -0.801 173.464 174.600 -0.558 0.000 1.109 312 S CA -0.548 57.397 58.200 -0.426 0.000 1.099 312 S CB 0.468 63.519 63.200 -0.248 0.000 1.004 312 S HN 0.434 nan 8.310 nan 0.000 0.475 313 L N 4.592 125.504 121.223 -0.518 0.000 2.362 313 L HA 0.546 4.886 4.340 -0.000 0.000 0.275 313 L C -0.250 176.312 176.870 -0.513 0.000 0.998 313 L CA -0.667 53.757 54.840 -0.692 0.000 0.820 313 L CB 2.016 43.571 42.059 -0.839 0.000 1.270 313 L HN 0.570 nan 8.230 nan 0.000 0.415 314 Q N 2.004 121.469 119.800 -0.557 0.000 2.316 314 Q HA 0.433 4.773 4.340 -0.000 0.000 0.264 314 Q C -1.659 174.106 176.000 -0.391 0.000 0.987 314 Q CA -0.568 55.036 55.803 -0.333 0.000 0.852 314 Q CB 2.455 31.066 28.738 -0.212 0.000 1.287 314 Q HN 0.429 nan 8.270 nan 0.000 0.448 315 W N 2.228 123.502 121.300 -0.043 0.000 2.706 315 W HA 0.650 5.310 4.660 -0.000 0.000 0.346 315 W C -0.956 175.615 176.519 0.086 0.000 1.071 315 W CA -0.671 56.699 57.345 0.042 0.000 1.206 315 W CB 1.207 30.672 29.460 0.007 0.000 1.413 315 W HN 0.389 nan 8.180 nan 0.000 0.542 316 L N 2.337 123.816 121.223 0.427 0.000 2.470 316 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 316 L C -0.204 176.870 176.870 0.339 0.000 0.964 316 L CA -0.984 54.057 54.840 0.337 0.000 0.839 316 L CB 1.358 43.601 42.059 0.306 0.000 1.276 316 L HN 0.400 nan 8.230 nan 0.000 0.403 317 R N 2.612 123.274 120.500 0.270 0.000 2.738 317 R HA 0.231 4.571 4.340 -0.000 0.000 0.268 317 R C 1.022 177.377 176.300 0.093 0.000 1.062 317 R CA -0.224 55.972 56.100 0.160 0.000 1.158 317 R CB 0.582 30.964 30.300 0.137 0.000 1.046 317 R HN 0.672 nan 8.270 nan 0.000 0.493 318 R N 1.398 121.860 120.500 -0.064 0.000 2.105 318 R HA -0.060 4.280 4.340 -0.000 0.000 0.239 318 R C 0.390 176.740 176.300 0.083 0.000 1.135 318 R CA 1.189 57.236 56.100 -0.088 0.000 0.967 318 R CB -0.034 30.176 30.300 -0.152 0.000 0.861 318 R HN 0.484 nan 8.270 nan 0.000 0.442 319 I N 2.216 122.819 120.570 0.056 0.000 2.363 319 I HA -0.011 4.159 4.170 -0.000 0.000 0.292 319 I C 0.360 176.540 176.117 0.105 0.000 1.075 319 I CA 0.393 61.733 61.300 0.066 0.000 1.333 319 I CB 1.336 39.360 38.000 0.041 0.000 1.415 319 I HN 0.170 nan 8.210 nan 0.000 0.502 320 Q N 5.062 124.924 119.800 0.103 0.000 2.412 320 Q HA 0.044 4.384 4.340 -0.000 0.000 0.298 320 Q C 0.388 176.477 176.000 0.149 0.000 0.938 320 Q CA -0.132 55.751 55.803 0.133 0.000 0.968 320 Q CB -0.178 28.603 28.738 0.071 0.000 1.187 320 Q HN 0.666 nan 8.270 nan 0.000 0.421 321 N N -0.666 118.122 118.700 0.147 0.000 2.204 321 N HA -0.023 4.717 4.740 -0.000 0.000 0.219 321 N C -0.941 174.681 175.510 0.188 0.000 1.151 321 N CA -0.160 52.968 53.050 0.130 0.000 0.867 321 N CB 0.321 38.861 38.487 0.089 0.000 1.043 321 N HN 0.201 nan 8.380 nan 0.000 0.516 322 Y N 0.952 121.284 120.300 0.054 0.000 2.362 322 Y HA 0.520 5.070 4.550 -0.000 0.000 0.326 322 Y C -1.303 174.640 175.900 0.071 0.000 1.083 322 Y CA -0.824 57.305 58.100 0.049 0.000 1.073 322 Y CB 1.348 39.827 38.460 0.032 0.000 1.211 322 Y HN 0.153 nan 8.280 nan 0.000 0.433 323 S N 4.062 119.634 115.700 -0.213 0.000 2.595 323 S HA 0.907 5.377 4.470 -0.000 0.000 0.281 323 S C -1.958 172.529 174.600 -0.190 0.000 1.117 323 S CA -0.809 57.348 58.200 -0.071 0.000 0.873 323 S CB 1.983 65.193 63.200 0.016 0.000 1.108 323 S HN 0.464 nan 8.310 nan 0.000 0.477 324 V N 2.464 122.375 119.914 -0.005 0.000 2.588 324 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 324 V C -0.496 175.636 176.094 0.063 0.000 1.042 324 V CA -0.623 61.681 62.300 0.006 0.000 0.877 324 V CB 1.772 33.632 31.823 0.061 0.000 0.996 324 V HN 1.021 nan 8.190 nan 0.000 0.425 325 M N 3.906 123.513 119.600 0.012 0.000 2.113 325 M HA 0.448 4.928 4.480 -0.000 0.000 0.352 325 M C -1.063 175.254 176.300 0.028 0.000 1.170 325 M CA -0.282 55.006 55.300 -0.019 0.000 1.053 325 M CB 0.830 33.374 32.600 -0.093 0.000 1.601 325 M HN 0.623 nan 8.290 nan 0.000 0.459 326 D N 5.359 125.766 120.400 0.011 0.000 2.168 326 D HA 0.496 5.136 4.640 -0.000 0.000 0.246 326 D C -1.031 175.238 176.300 -0.052 0.000 1.050 326 D CA -0.068 53.939 54.000 0.011 0.000 0.857 326 D CB 1.441 42.285 40.800 0.074 0.000 1.169 326 D HN 0.578 nan 8.370 nan 0.000 0.453 327 I N 2.944 123.508 120.570 -0.010 0.000 2.382 327 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 327 I C -0.614 175.502 176.117 -0.000 0.000 1.002 327 I CA -0.614 60.678 61.300 -0.014 0.000 1.135 327 I CB 1.399 39.449 38.000 0.083 0.000 1.288 327 I HN 0.181 nan 8.210 nan 0.000 0.448 328 c N 4.045 122.633 118.600 -0.020 0.000 2.369 328 c HA 0.519 5.089 4.570 -0.000 0.000 0.322 328 c C -0.368 173.862 174.090 0.233 0.000 1.258 328 c CA -0.775 55.605 56.329 0.085 0.000 1.487 328 c CB 1.016 43.557 42.510 0.052 0.000 2.165 328 c HN 0.583 nan 8.230 nan 0.000 0.483 329 D N 0.580 121.107 120.400 0.211 0.000 2.198 329 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 329 D C -0.636 175.637 176.300 -0.044 0.000 1.010 329 D CA -0.225 53.867 54.000 0.154 0.000 0.880 329 D CB 0.936 41.768 40.800 0.054 0.000 1.209 329 D HN 0.579 nan 8.370 nan 0.000 0.451 330 Y N 1.294 121.243 120.300 -0.585 0.000 2.402 330 Y HA 0.209 4.758 4.550 -0.000 0.000 0.333 330 Y C -0.210 175.380 175.900 -0.517 0.000 1.076 330 Y CA -0.394 56.995 58.100 -1.185 0.000 1.299 330 Y CB 0.736 38.327 38.460 -1.449 0.000 1.197 330 Y HN 0.141 nan 8.280 nan 0.000 0.517 331 D N 5.706 125.507 120.400 -1.000 0.000 2.467 331 D HA 0.053 4.693 4.640 -0.000 0.000 0.220 331 D C 0.843 176.540 176.300 -1.006 0.000 1.103 331 D CA -0.291 53.279 54.000 -0.716 0.000 0.886 331 D CB 0.616 41.170 40.800 -0.410 0.000 1.025 331 D HN 0.736 nan 8.370 nan 0.000 0.514 332 E N 1.937 121.650 120.200 -0.813 0.000 2.333 332 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 332 E C 1.103 177.549 176.600 -0.257 0.000 1.007 332 E CA 0.517 56.597 56.400 -0.532 0.000 0.845 332 E CB -0.090 29.572 29.700 -0.063 0.000 0.766 332 E HN 0.302 nan 8.360 nan 0.000 0.507 333 S N 0.320 115.878 115.700 -0.237 0.000 2.371 333 S HA -0.069 4.401 4.470 -0.000 0.000 0.221 333 S C 2.063 176.586 174.600 -0.127 0.000 1.036 333 S CA 1.151 59.272 58.200 -0.132 0.000 0.965 333 S CB -0.268 62.869 63.200 -0.104 0.000 0.845 333 S HN 0.358 nan 8.310 nan 0.000 0.475 334 S N -0.258 115.332 115.700 -0.182 0.000 2.436 334 S HA 0.177 4.647 4.470 -0.000 0.000 0.228 334 S C 1.474 176.009 174.600 -0.108 0.000 1.014 334 S CA 1.481 59.603 58.200 -0.130 0.000 0.950 334 S CB -0.766 62.352 63.200 -0.136 0.000 0.784 334 S HN 1.251 nan 8.310 nan 0.000 0.504 335 G N 0.905 109.577 108.800 -0.213 0.000 2.155 335 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 335 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 335 G C 0.177 175.087 174.900 0.018 0.000 0.983 335 G CA 0.748 45.828 45.100 -0.034 0.000 0.676 335 G HN 0.719 nan 8.290 nan 0.000 0.528 336 R N -1.444 118.955 120.500 -0.168 0.000 2.797 336 R HA 0.728 5.068 4.340 -0.000 0.000 0.251 336 R C -0.997 175.187 176.300 -0.194 0.000 1.107 336 R CA -0.904 55.177 56.100 -0.031 0.000 1.084 336 R CB 0.761 31.059 30.300 -0.002 0.000 1.205 336 R HN 0.148 nan 8.270 nan 0.000 0.515 337 W N 1.161 122.484 121.300 0.038 0.000 2.532 337 W HA 0.484 5.144 4.660 -0.000 0.000 0.321 337 W C -0.694 175.815 176.519 -0.017 0.000 1.037 337 W CA -0.514 56.843 57.345 0.020 0.000 1.220 337 W CB 1.517 30.988 29.460 0.018 0.000 1.361 337 W HN 0.314 nan 8.180 nan 0.000 0.468 338 N N 2.211 121.001 118.700 0.150 0.000 2.269 338 N HA 0.500 5.240 4.740 -0.000 0.000 0.304 338 N C -1.540 174.017 175.510 0.078 0.000 1.072 338 N CA -0.481 52.617 53.050 0.079 0.000 0.802 338 N CB 1.870 40.365 38.487 0.014 0.000 1.348 338 N HN 0.234 nan 8.380 nan 0.000 0.484 339 c N 2.425 121.051 118.600 0.043 0.000 2.293 339 c HA 0.405 4.975 4.570 -0.000 0.000 0.323 339 c C 0.132 174.222 174.090 0.001 0.000 1.240 339 c CA -0.963 55.380 56.329 0.023 0.000 1.497 339 c CB -0.794 41.719 42.510 0.006 0.000 2.171 339 c HN 0.501 nan 8.230 nan 0.000 0.465 340 L N 3.300 124.525 121.223 0.003 0.000 2.410 340 L HA 0.105 4.445 4.340 -0.000 0.000 0.273 340 L C 1.448 178.302 176.870 -0.026 0.000 1.144 340 L CA 0.490 55.323 54.840 -0.011 0.000 0.863 340 L CB 0.574 42.630 42.059 -0.004 0.000 1.140 340 L HN 0.647 nan 8.230 nan 0.000 0.463 341 V N 3.582 123.474 119.914 -0.037 0.000 2.490 341 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 341 V C 2.292 178.346 176.094 -0.066 0.000 1.061 341 V CA 1.758 64.028 62.300 -0.051 0.000 1.064 341 V CB -1.030 30.764 31.823 -0.048 0.000 0.670 341 V HN 1.012 nan 8.190 nan 0.000 0.461 342 A N 0.184 122.970 122.820 -0.056 0.000 1.948 342 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 342 A C 2.358 179.878 177.584 -0.108 0.000 1.177 342 A CA 1.980 53.977 52.037 -0.067 0.000 0.636 342 A CB -0.486 18.490 19.000 -0.041 0.000 0.815 342 A HN 0.551 nan 8.150 nan 0.000 0.449 343 R N -0.490 119.960 120.500 -0.084 0.000 2.299 343 R HA 0.074 4.414 4.340 -0.000 0.000 0.197 343 R C 0.295 176.474 176.300 -0.203 0.000 0.971 343 R CA -0.070 55.976 56.100 -0.089 0.000 1.030 343 R CB 0.004 30.322 30.300 0.029 0.000 0.932 343 R HN 0.659 nan 8.270 nan 0.000 0.477 344 Q N 0.495 120.187 119.800 -0.181 0.000 2.386 344 Q HA -0.016 4.324 4.340 -0.000 0.000 0.282 344 Q C -0.812 174.969 176.000 -0.365 0.000 1.050 344 Q CA 0.860 56.569 55.803 -0.156 0.000 0.918 344 Q CB 0.542 29.225 28.738 -0.093 0.000 1.266 344 Q HN 0.242 nan 8.270 nan 0.000 0.423 345 H N 0.745 119.802 119.070 -0.021 0.000 2.589 345 H HA 0.471 5.027 4.556 -0.000 0.000 0.351 345 H C -0.782 174.499 175.328 -0.078 0.000 1.074 345 H CA -0.476 55.554 56.048 -0.029 0.000 1.203 345 H CB 1.169 30.906 29.762 -0.042 0.000 1.558 345 H HN 0.418 nan 8.280 nan 0.000 0.522 346 I N 1.958 122.536 120.570 0.013 0.000 2.441 346 I HA 0.292 4.462 4.170 -0.000 0.000 0.295 346 I C -0.232 175.817 176.117 -0.114 0.000 0.994 346 I CA -0.427 60.794 61.300 -0.131 0.000 1.144 346 I CB 1.787 39.686 38.000 -0.168 0.000 1.314 346 I HN 0.525 nan 8.210 nan 0.000 0.445 347 E N 6.796 126.868 120.200 -0.214 0.000 2.241 347 E HA 0.560 4.910 4.350 -0.000 0.000 0.263 347 E C -1.391 175.111 176.600 -0.164 0.000 0.882 347 E CA -0.610 55.719 56.400 -0.118 0.000 0.769 347 E CB 1.966 31.626 29.700 -0.065 0.000 1.185 347 E HN 0.480 nan 8.360 nan 0.000 0.415 348 M N 1.466 121.024 119.600 -0.070 0.000 2.591 348 M HA 0.398 4.878 4.480 -0.000 0.000 0.306 348 M C -0.487 175.819 176.300 0.010 0.000 1.190 348 M CA -0.844 54.452 55.300 -0.007 0.000 0.889 348 M CB 2.427 35.060 32.600 0.054 0.000 1.728 348 M HN 0.269 nan 8.290 nan 0.000 0.458 349 S N -0.301 115.408 115.700 0.015 0.000 2.500 349 S HA 0.500 4.970 4.470 -0.000 0.000 0.301 349 S C 0.230 174.812 174.600 -0.030 0.000 1.092 349 S CA -0.514 57.668 58.200 -0.031 0.000 1.030 349 S CB 1.580 64.720 63.200 -0.100 0.000 1.031 349 S HN 0.750 nan 8.310 nan 0.000 0.483 350 T N 2.903 117.433 114.554 -0.040 0.000 3.040 350 T HA 0.062 4.411 4.350 -0.000 0.000 0.252 350 T C 1.475 176.132 174.700 -0.071 0.000 1.064 350 T CA 0.712 62.792 62.100 -0.034 0.000 1.110 350 T CB -0.078 68.780 68.868 -0.016 0.000 0.921 350 T HN 0.653 nan 8.240 nan 0.000 0.480 351 T N 0.340 114.824 114.554 -0.118 0.000 3.044 351 T HA 0.418 4.768 4.350 -0.000 0.000 0.255 351 T C 1.263 175.721 174.700 -0.404 0.000 1.073 351 T CA 0.732 62.747 62.100 -0.142 0.000 1.125 351 T CB 0.293 69.171 68.868 0.017 0.000 0.908 351 T HN 0.509 nan 8.240 nan 0.000 0.480 352 G N 0.238 108.630 108.800 -0.680 0.000 3.218 352 G HA2 0.459 4.419 3.960 -0.000 0.000 0.143 352 G HA3 0.459 4.419 3.960 -0.000 0.000 0.143 352 G C -1.695 172.958 174.900 -0.411 0.000 1.220 352 G CA -0.374 44.197 45.100 -0.881 0.000 1.382 352 G HN 0.420 nan 8.290 nan 0.000 0.682 353 W N -0.082 120.980 121.300 -0.396 0.000 2.894 353 W HA 0.803 5.463 4.660 -0.000 0.000 0.345 353 W C -0.611 175.876 176.519 -0.054 0.000 1.152 353 W CA -1.415 55.830 57.345 -0.167 0.000 1.089 353 W CB 1.020 30.362 29.460 -0.196 0.000 1.454 353 W HN 0.288 nan 8.180 nan 0.000 0.589 354 V N 3.306 123.315 119.914 0.158 0.000 2.461 354 V HA 0.635 4.755 4.120 -0.000 0.000 0.275 354 V C 0.861 177.042 176.094 0.145 0.000 1.047 354 V CA 0.563 62.914 62.300 0.085 0.000 0.955 354 V CB -0.124 31.750 31.823 0.084 0.000 0.988 354 V HN 1.302 nan 8.190 nan 0.000 0.471 355 G N 5.273 114.112 108.800 0.065 0.000 2.860 355 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.553 355 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.553 355 G C 0.407 175.392 174.900 0.141 0.000 1.439 355 G CA 0.316 45.473 45.100 0.095 0.000 0.879 355 G HN 0.677 nan 8.290 nan 0.000 0.545 356 R N -0.712 119.850 120.500 0.103 0.000 2.061 356 R HA 0.078 4.418 4.340 -0.000 0.000 0.230 356 R C 2.070 178.310 176.300 -0.099 0.000 1.140 356 R CA 2.201 58.301 56.100 -0.000 0.000 0.940 356 R CB -0.148 30.110 30.300 -0.069 0.000 0.839 356 R HN 0.461 nan 8.270 nan 0.000 0.429 357 F N -0.490 119.609 119.950 0.249 0.000 2.728 357 F HA 0.288 4.815 4.527 -0.000 0.000 0.314 357 F C 0.366 176.215 175.800 0.083 0.000 1.094 357 F CA -0.368 57.725 58.000 0.153 0.000 1.217 357 F CB 0.677 39.764 39.000 0.145 0.000 1.056 357 F HN -0.045 nan 8.300 nan 0.000 0.577 358 R N -1.610 119.045 120.500 0.258 0.000 3.033 358 R HA 0.295 4.635 4.340 -0.000 0.000 0.284 358 R C -3.443 172.945 176.300 0.146 0.000 0.997 358 R CA -1.717 54.481 56.100 0.163 0.000 0.851 358 R CB -0.128 30.250 30.300 0.129 0.000 1.297 358 R HN -0.353 nan 8.270 nan 0.000 0.518 359 P HA -0.017 nan 4.420 nan 0.000 0.265 359 P C -0.205 177.134 177.300 0.065 0.000 1.187 359 P CA 0.125 63.263 63.100 0.063 0.000 0.766 359 P CB 0.689 32.403 31.700 0.023 0.000 0.820 360 S N 1.243 116.982 115.700 0.064 0.000 2.593 360 S HA 0.129 4.599 4.470 -0.000 0.000 0.269 360 S C 0.098 174.716 174.600 0.031 0.000 1.334 360 S CA -0.764 57.487 58.200 0.086 0.000 1.015 360 S CB 0.497 63.767 63.200 0.116 0.000 0.912 360 S HN 0.531 nan 8.310 nan 0.000 0.541 361 E N 2.119 122.350 120.200 0.053 0.000 2.360 361 E HA 0.265 4.615 4.350 -0.000 0.000 0.269 361 E C -2.315 174.233 176.600 -0.086 0.000 1.022 361 E CA -2.105 54.267 56.400 -0.047 0.000 0.887 361 E CB 0.513 30.186 29.700 -0.045 0.000 0.990 361 E HN 0.465 nan 8.360 nan 0.000 0.426 362 P HA 0.220 nan 4.420 nan 0.000 0.288 362 P C -1.469 175.685 177.300 -0.243 0.000 1.267 362 P CA -0.444 62.498 63.100 -0.265 0.000 0.815 362 P CB 0.849 32.070 31.700 -0.798 0.000 0.989 363 H N 1.641 120.738 119.070 0.044 0.000 2.595 363 H HA 0.404 4.960 4.556 -0.000 0.000 0.313 363 H C -0.400 175.055 175.328 0.213 0.000 1.023 363 H CA -0.233 55.923 56.048 0.180 0.000 1.218 363 H CB -0.054 29.834 29.762 0.210 0.000 1.403 363 H HN 0.230 nan 8.280 nan 0.000 0.477 364 F N 1.753 121.886 119.950 0.305 0.000 2.412 364 F HA 0.150 4.676 4.527 -0.000 0.000 0.348 364 F C 1.265 177.256 175.800 0.319 0.000 1.102 364 F CA -0.706 57.482 58.000 0.314 0.000 1.196 364 F CB 0.823 39.937 39.000 0.191 0.000 1.144 364 F HN 0.455 nan 8.300 nan 0.000 0.541 365 T N 0.977 115.817 114.554 0.477 0.000 2.791 365 T HA -0.027 4.323 4.350 -0.000 0.000 0.323 365 T C 1.173 176.068 174.700 0.326 0.000 1.082 365 T CA -0.753 61.576 62.100 0.381 0.000 1.084 365 T CB 0.558 69.631 68.868 0.341 0.000 0.992 365 T HN 0.599 nan 8.240 nan 0.000 0.547 366 L N 1.280 122.650 121.223 0.245 0.000 2.081 366 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 366 L C 1.959 178.942 176.870 0.189 0.000 1.080 366 L CA 2.391 57.351 54.840 0.200 0.000 0.754 366 L CB -1.164 40.987 42.059 0.154 0.000 0.893 366 L HN 0.941 nan 8.230 nan 0.000 0.433 367 D N -1.837 118.678 120.400 0.191 0.000 2.349 367 D HA 0.133 4.773 4.640 -0.000 0.000 0.215 367 D C 1.668 178.081 176.300 0.188 0.000 1.016 367 D CA 0.750 54.850 54.000 0.167 0.000 0.870 367 D CB -0.353 40.534 40.800 0.144 0.000 0.917 367 D HN 0.396 nan 8.370 nan 0.000 0.524 368 G N 0.423 109.379 108.800 0.259 0.000 2.159 368 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 368 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 368 G C 0.916 176.028 174.900 0.353 0.000 0.977 368 G CA 0.338 45.616 45.100 0.297 0.000 0.652 368 G HN 0.360 nan 8.290 nan 0.000 0.531 369 N N 0.287 119.157 118.700 0.285 0.000 2.353 369 N HA 0.200 4.940 4.740 -0.000 0.000 0.185 369 N C 0.963 176.587 175.510 0.191 0.000 1.098 369 N CA 1.127 54.311 53.050 0.223 0.000 0.872 369 N CB 0.497 39.073 38.487 0.147 0.000 0.970 369 N HN 0.866 nan 8.380 nan 0.000 0.467 370 S N -0.430 115.404 115.700 0.222 0.000 2.671 370 S HA 0.811 5.281 4.470 -0.000 0.000 0.277 370 S C -0.895 173.733 174.600 0.046 0.000 1.165 370 S CA -0.959 57.226 58.200 -0.026 0.000 0.822 370 S CB 1.968 65.087 63.200 -0.135 0.000 1.150 370 S HN 0.140 nan 8.310 nan 0.000 0.479 371 F N -2.426 117.297 119.950 -0.379 0.000 2.773 371 F HA 0.795 5.322 4.527 -0.000 0.000 0.314 371 F C -2.412 173.184 175.800 -0.340 0.000 1.160 371 F CA -1.535 56.222 58.000 -0.405 0.000 0.920 371 F CB 0.544 38.910 39.000 -1.057 0.000 1.323 371 F HN 0.595 nan 8.300 nan 0.000 0.457 372 Y N 1.216 121.652 120.300 0.226 0.000 2.446 372 Y HA 0.698 5.248 4.550 -0.000 0.000 0.345 372 Y C -0.305 175.769 175.900 0.290 0.000 0.984 372 Y CA -1.009 57.218 58.100 0.212 0.000 1.058 372 Y CB 2.174 40.719 38.460 0.141 0.000 1.220 372 Y HN 0.759 nan 8.280 nan 0.000 0.455 373 K N 1.640 122.283 120.400 0.404 0.000 2.555 373 K HA 0.624 4.944 4.320 -0.000 0.000 0.279 373 K C -1.756 174.988 176.600 0.240 0.000 0.986 373 K CA -0.803 55.668 56.287 0.307 0.000 0.880 373 K CB 1.846 34.462 32.500 0.193 0.000 1.474 373 K HN 0.663 nan 8.250 nan 0.000 0.433 374 I N 2.265 122.949 120.570 0.190 0.000 2.416 374 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 374 I C -0.251 175.960 176.117 0.156 0.000 1.051 374 I CA -0.630 60.761 61.300 0.152 0.000 1.375 374 I CB 0.631 38.705 38.000 0.123 0.000 1.407 374 I HN 0.376 nan 8.210 nan 0.000 0.516 375 I N 4.642 125.330 120.570 0.197 0.000 2.769 375 I HA 0.181 4.351 4.170 -0.000 0.000 0.298 375 I C 0.081 176.334 176.117 0.227 0.000 1.128 375 I CA -0.581 60.847 61.300 0.213 0.000 1.031 375 I CB 2.035 40.182 38.000 0.246 0.000 1.235 375 I HN 0.412 nan 8.210 nan 0.000 0.423 376 S N 5.358 121.127 115.700 0.114 0.000 2.510 376 S HA 0.195 4.665 4.470 -0.000 0.000 0.279 376 S C 0.318 174.951 174.600 0.054 0.000 1.284 376 S CA -0.388 57.820 58.200 0.013 0.000 1.059 376 S CB -0.089 63.067 63.200 -0.073 0.000 0.901 376 S HN 0.793 nan 8.310 nan 0.000 0.491 377 N N 3.426 122.056 118.700 -0.117 0.000 2.443 377 N HA 0.232 4.972 4.740 -0.000 0.000 0.294 377 N C 0.534 175.932 175.510 -0.186 0.000 1.289 377 N CA -0.822 52.014 53.050 -0.357 0.000 0.966 377 N CB 0.315 38.254 38.487 -0.914 0.000 1.122 377 N HN 0.629 nan 8.380 nan 0.000 0.569 378 E N -0.387 119.689 120.200 -0.207 0.000 2.285 378 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 378 E C 0.604 177.151 176.600 -0.087 0.000 0.997 378 E CA 0.940 57.277 56.400 -0.106 0.000 0.845 378 E CB -0.016 29.631 29.700 -0.089 0.000 0.782 378 E HN 0.579 nan 8.360 nan 0.000 0.491 379 E N -0.360 119.791 120.200 -0.082 0.000 2.489 379 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 379 E C 0.969 177.544 176.600 -0.042 0.000 1.057 379 E CA 0.517 56.916 56.400 -0.002 0.000 0.866 379 E CB 0.587 30.339 29.700 0.085 0.000 0.916 379 E HN 0.350 nan 8.360 nan 0.000 0.500 380 G N -0.200 108.521 108.800 -0.132 0.000 2.157 380 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.239 380 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.239 380 G C -0.403 174.221 174.900 -0.459 0.000 0.982 380 G CA -0.237 44.686 45.100 -0.294 0.000 0.650 380 G HN 0.235 nan 8.290 nan 0.000 0.527 381 Y N 0.384 120.555 120.300 -0.215 0.000 2.323 381 Y HA 0.637 5.187 4.550 -0.000 0.000 0.331 381 Y C 1.212 176.934 175.900 -0.296 0.000 1.092 381 Y CA -0.814 57.132 58.100 -0.258 0.000 1.150 381 Y CB 0.934 39.244 38.460 -0.250 0.000 1.200 381 Y HN 0.065 nan 8.280 nan 0.000 0.472 382 R N 2.968 123.329 120.500 -0.232 0.000 2.242 382 R HA 0.282 4.622 4.340 -0.000 0.000 0.334 382 R C -1.047 175.001 176.300 -0.419 0.000 1.071 382 R CA -0.041 55.938 56.100 -0.201 0.000 0.922 382 R CB 0.021 30.248 30.300 -0.121 0.000 1.023 382 R HN 0.740 nan 8.270 nan 0.000 0.458 383 H N 0.671 119.724 119.070 -0.029 0.000 2.908 383 H HA 0.397 4.953 4.556 -0.000 0.000 0.350 383 H C -0.236 175.144 175.328 0.088 0.000 1.217 383 H CA -0.876 55.130 56.048 -0.070 0.000 1.168 383 H CB 1.597 31.233 29.762 -0.210 0.000 1.891 383 H HN 0.327 nan 8.280 nan 0.000 0.566 384 I N 1.350 121.997 120.570 0.129 0.000 2.452 384 I HA 0.063 4.233 4.170 -0.000 0.000 0.287 384 I C -0.290 175.845 176.117 0.030 0.000 1.079 384 I CA 0.168 61.499 61.300 0.053 0.000 1.387 384 I CB 0.233 38.175 38.000 -0.098 0.000 1.404 384 I HN 0.268 nan 8.210 nan 0.000 0.522 385 c N 7.273 125.845 118.600 -0.047 0.000 2.382 385 c HA 0.390 4.960 4.570 -0.000 0.000 0.327 385 c C -0.310 173.620 174.090 -0.267 0.000 1.250 385 c CA -0.519 55.561 56.329 -0.415 0.000 1.707 385 c CB 0.827 42.873 42.510 -0.773 0.000 2.272 385 c HN 0.638 nan 8.230 nan 0.000 0.506 386 Y N 4.973 124.910 120.300 -0.605 0.000 2.341 386 Y HA 0.639 5.189 4.550 -0.000 0.000 0.340 386 Y C -1.056 174.322 175.900 -0.871 0.000 0.997 386 Y CA -0.754 56.921 58.100 -0.709 0.000 1.149 386 Y CB 0.153 38.281 38.460 -0.553 0.000 1.171 386 Y HN 0.605 nan 8.280 nan 0.000 0.494 387 F N 4.036 123.170 119.950 -1.361 0.000 2.480 387 F HA 0.503 5.030 4.527 -0.000 0.000 0.329 387 F C -0.176 174.769 175.800 -1.426 0.000 1.091 387 F CA -0.724 56.452 58.000 -1.374 0.000 0.972 387 F CB 1.763 39.683 39.000 -1.801 0.000 1.150 387 F HN 0.368 nan 8.300 nan 0.000 0.467 388 Q N 2.705 122.071 119.800 -0.723 0.000 2.316 388 Q HA 0.410 4.750 4.340 -0.000 0.000 0.264 388 Q C 0.960 176.892 176.000 -0.113 0.000 0.987 388 Q CA -0.560 54.978 55.803 -0.442 0.000 0.852 388 Q CB 2.574 31.114 28.738 -0.329 0.000 1.287 388 Q HN 0.743 nan 8.270 nan 0.000 0.448 389 I N 1.193 121.776 120.570 0.023 0.000 2.335 389 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 389 I C 0.616 176.854 176.117 0.202 0.000 1.129 389 I CA 1.299 62.748 61.300 0.247 0.000 1.402 389 I CB 0.216 38.380 38.000 0.273 0.000 1.069 389 I HN 0.681 nan 8.210 nan 0.000 0.424 390 D N 0.316 120.771 120.400 0.091 0.000 2.363 390 D HA 0.073 4.713 4.640 -0.000 0.000 0.214 390 D C 0.429 176.739 176.300 0.017 0.000 1.093 390 D CA 0.331 54.358 54.000 0.044 0.000 0.837 390 D CB 0.459 41.277 40.800 0.030 0.000 0.948 390 D HN 0.178 nan 8.370 nan 0.000 0.507 391 K N 0.334 120.753 120.400 0.031 0.000 2.168 391 K HA 0.356 4.676 4.320 -0.000 0.000 0.239 391 K C 1.164 177.787 176.600 0.038 0.000 0.999 391 K CA -0.574 55.714 56.287 0.001 0.000 0.900 391 K CB 1.906 34.374 32.500 -0.052 0.000 1.111 391 K HN -0.214 nan 8.250 nan 0.000 0.452 392 K N 0.331 120.732 120.400 0.001 0.000 2.141 392 K HA 0.083 4.403 4.320 -0.000 0.000 0.202 392 K C -0.038 176.589 176.600 0.045 0.000 1.045 392 K CA 0.627 56.922 56.287 0.012 0.000 0.971 392 K CB 0.305 32.795 32.500 -0.016 0.000 0.795 392 K HN 0.487 nan 8.250 nan 0.000 0.459 393 D N 0.304 120.678 120.400 -0.043 0.000 2.272 393 D HA 0.181 4.821 4.640 -0.000 0.000 0.247 393 D C -0.073 176.025 176.300 -0.336 0.000 0.990 393 D CA -0.415 53.510 54.000 -0.126 0.000 0.931 393 D CB 1.849 42.579 40.800 -0.116 0.000 1.195 393 D HN 0.200 nan 8.370 nan 0.000 0.477 394 c N -0.743 117.477 118.600 -0.633 0.000 2.354 394 c HA 0.839 5.409 4.570 -0.000 0.000 0.381 394 c C 0.202 173.871 174.090 -0.701 0.000 1.240 394 c CA -0.458 55.237 56.329 -1.057 0.000 2.089 394 c CB 0.910 42.019 42.510 -2.335 0.000 2.234 394 c HN 0.474 nan 8.230 nan 0.000 0.544 395 T N 1.342 115.514 114.554 -0.637 0.000 2.812 395 T HA 0.503 4.852 4.350 -0.000 0.000 0.282 395 T C -0.810 173.628 174.700 -0.436 0.000 0.990 395 T CA 0.133 62.019 62.100 -0.358 0.000 0.960 395 T CB 0.552 69.361 68.868 -0.098 0.000 0.948 395 T HN 0.478 nan 8.240 nan 0.000 0.438 396 F N 2.370 122.195 119.950 -0.210 0.000 2.456 396 F HA 0.302 4.829 4.527 -0.000 0.000 0.358 396 F C 1.161 176.784 175.800 -0.295 0.000 1.095 396 F CA -0.659 57.207 58.000 -0.224 0.000 1.216 396 F CB 0.579 39.460 39.000 -0.199 0.000 1.125 396 F HN 0.455 nan 8.300 nan 0.000 0.549 397 I N 0.830 121.283 120.570 -0.194 0.000 4.035 397 I HA 0.030 4.200 4.170 -0.000 0.000 0.321 397 I C 0.767 176.725 176.117 -0.266 0.000 1.289 397 I CA 0.584 61.585 61.300 -0.499 0.000 1.236 397 I CB 0.024 37.661 38.000 -0.605 0.000 1.076 397 I HN 0.625 nan 8.210 nan 0.000 0.418 398 T N -0.958 113.486 114.554 -0.182 0.000 2.906 398 T HA 0.792 5.142 4.350 -0.000 0.000 0.295 398 T C -0.588 173.691 174.700 -0.703 0.000 1.075 398 T CA -0.798 61.141 62.100 -0.269 0.000 1.005 398 T CB 2.696 71.484 68.868 -0.133 0.000 1.136 398 T HN 0.147 nan 8.240 nan 0.000 0.498 399 K N -0.588 119.195 120.400 -1.028 0.000 2.578 399 K HA 0.831 5.151 4.320 -0.000 0.000 0.287 399 K C -0.357 175.559 176.600 -1.139 0.000 1.010 399 K CA -0.790 54.708 56.287 -1.314 0.000 0.889 399 K CB 1.290 33.429 32.500 -0.602 0.000 1.514 399 K HN 1.578 nan 8.250 nan 0.000 0.424 400 G N -0.331 107.936 108.800 -0.888 0.000 2.355 400 G HA2 0.042 4.002 3.960 -0.000 0.000 0.619 400 G HA3 0.042 4.002 3.960 -0.000 0.000 0.619 400 G C -0.875 173.536 174.900 -0.814 0.000 1.337 400 G CA -0.559 44.167 45.100 -0.623 0.000 0.993 400 G HN 0.538 nan 8.290 nan 0.000 0.599 401 T N 2.340 116.552 114.554 -0.571 0.000 3.607 401 T HA 0.457 4.807 4.350 -0.000 0.000 0.225 401 T C -0.000 174.531 174.700 -0.281 0.000 0.904 401 T CA 0.841 62.444 62.100 -0.828 0.000 0.962 401 T CB -1.119 67.510 68.868 -0.399 0.000 1.221 401 T HN 0.717 nan 8.240 nan 0.000 0.641 402 W N -0.348 120.807 121.300 -0.242 0.000 2.923 402 W HA 0.610 5.270 4.660 -0.000 0.000 0.373 402 W C -1.250 175.268 176.519 -0.001 0.000 1.205 402 W CA -1.028 56.311 57.345 -0.009 0.000 1.180 402 W CB 0.840 30.290 29.460 -0.016 0.000 1.477 402 W HN -0.060 nan 8.180 nan 0.000 0.581 403 E N 0.868 121.237 120.200 0.282 0.000 2.288 403 E HA 0.441 4.791 4.350 -0.000 0.000 0.268 403 E C -0.977 175.740 176.600 0.194 0.000 0.885 403 E CA -1.162 55.215 56.400 -0.039 0.000 0.767 403 E CB 3.382 33.114 29.700 0.053 0.000 1.220 403 E HN 0.151 nan 8.360 nan 0.000 0.427 404 V N 3.866 123.760 119.914 -0.033 0.000 2.555 404 V HA -0.007 4.113 4.120 -0.000 0.000 0.286 404 V C 1.227 177.423 176.094 0.171 0.000 1.044 404 V CA 0.082 62.477 62.300 0.159 0.000 1.026 404 V CB 0.539 32.353 31.823 -0.015 0.000 0.981 404 V HN 0.697 nan 8.190 nan 0.000 0.480 405 I N 2.937 123.642 120.570 0.225 0.000 2.494 405 I HA 0.274 4.444 4.170 -0.000 0.000 0.250 405 I C 1.101 177.344 176.117 0.210 0.000 1.112 405 I CA 1.189 62.611 61.300 0.204 0.000 1.438 405 I CB -0.570 37.494 38.000 0.107 0.000 1.111 405 I HN 0.754 nan 8.210 nan 0.000 0.431 406 G N 0.889 109.815 108.800 0.210 0.000 2.702 406 G HA2 0.544 4.504 3.960 -0.000 0.000 0.296 406 G HA3 0.544 4.504 3.960 -0.000 0.000 0.296 406 G C -1.214 173.790 174.900 0.173 0.000 1.463 406 G CA -0.519 44.700 45.100 0.198 0.000 0.890 406 G HN -0.038 nan 8.290 nan 0.000 0.534 407 I N 1.774 122.384 120.570 0.067 0.000 2.325 407 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 407 I C 0.583 176.626 176.117 -0.123 0.000 1.019 407 I CA -0.570 60.666 61.300 -0.108 0.000 1.302 407 I CB 1.712 39.426 38.000 -0.476 0.000 1.401 407 I HN 0.491 nan 8.210 nan 0.000 0.485 408 E N 4.860 125.063 120.200 0.005 0.000 2.290 408 E HA 0.331 4.681 4.350 -0.000 0.000 0.197 408 E C 0.210 176.785 176.600 -0.042 0.000 0.948 408 E CA 0.239 56.696 56.400 0.094 0.000 0.895 408 E CB 0.767 30.616 29.700 0.248 0.000 0.865 408 E HN 0.679 nan 8.360 nan 0.000 0.486 409 A N 0.518 123.212 122.820 -0.210 0.000 2.612 409 A HA 0.640 4.960 4.320 -0.000 0.000 0.293 409 A C -1.972 175.535 177.584 -0.129 0.000 1.075 409 A CA -0.630 51.208 52.037 -0.332 0.000 0.680 409 A CB 1.333 19.612 19.000 -1.202 0.000 1.279 409 A HN 0.039 nan 8.150 nan 0.000 0.411 410 L N 1.239 122.430 121.223 -0.054 0.000 2.476 410 L HA 0.772 5.112 4.340 -0.000 0.000 0.269 410 L C 0.107 177.011 176.870 0.056 0.000 0.965 410 L CA 0.510 55.350 54.840 0.001 0.000 0.845 410 L CB 2.050 44.135 42.059 0.043 0.000 1.259 410 L HN 1.236 nan 8.230 nan 0.000 0.403 411 T N -0.305 114.297 114.554 0.080 0.000 2.841 411 T HA 0.444 4.794 4.350 -0.000 0.000 0.276 411 T C 1.047 175.786 174.700 0.066 0.000 1.003 411 T CA 0.092 62.250 62.100 0.095 0.000 0.995 411 T CB 1.128 70.081 68.868 0.141 0.000 1.260 411 T HN 0.636 nan 8.240 nan 0.000 0.581 412 S N -0.325 115.412 115.700 0.062 0.000 2.423 412 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 412 S C 1.009 175.585 174.600 -0.040 0.000 1.014 412 S CA 0.931 59.151 58.200 0.034 0.000 0.965 412 S CB -0.545 62.678 63.200 0.039 0.000 0.785 412 S HN 0.709 nan 8.310 nan 0.000 0.495 413 D N -0.479 119.880 120.400 -0.068 0.000 2.338 413 D HA 0.238 4.878 4.640 -0.000 0.000 0.208 413 D C -0.532 175.439 176.300 -0.549 0.000 0.997 413 D CA 0.708 54.538 54.000 -0.284 0.000 0.880 413 D CB 0.202 40.855 40.800 -0.246 0.000 0.980 413 D HN 0.418 nan 8.370 nan 0.000 0.509 414 Y N -0.350 119.877 120.300 -0.121 0.000 2.534 414 Y HA 0.446 4.996 4.550 -0.000 0.000 0.345 414 Y C -0.697 174.994 175.900 -0.348 0.000 1.031 414 Y CA -0.918 57.012 58.100 -0.283 0.000 1.022 414 Y CB 2.243 40.423 38.460 -0.466 0.000 1.292 414 Y HN -0.287 nan 8.280 nan 0.000 0.459 415 L N 3.160 124.244 121.223 -0.232 0.000 2.341 415 L HA 0.620 4.960 4.340 -0.000 0.000 0.278 415 L C -1.807 174.897 176.870 -0.278 0.000 1.005 415 L CA -0.660 54.021 54.840 -0.264 0.000 0.818 415 L CB 0.963 42.809 42.059 -0.355 0.000 1.259 415 L HN 0.626 nan 8.230 nan 0.000 0.418 416 Y N 4.721 124.947 120.300 -0.123 0.000 2.341 416 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 416 Y C -0.497 175.414 175.900 0.018 0.000 1.014 416 Y CA -0.357 57.671 58.100 -0.120 0.000 1.111 416 Y CB 1.342 39.602 38.460 -0.333 0.000 1.194 416 Y HN 0.516 nan 8.280 nan 0.000 0.462 417 Y N 1.000 121.360 120.300 0.100 0.000 2.597 417 Y HA 0.763 5.313 4.550 -0.000 0.000 0.340 417 Y C -1.749 174.241 175.900 0.149 0.000 1.097 417 Y CA -1.837 56.319 58.100 0.093 0.000 1.037 417 Y CB 1.042 39.536 38.460 0.058 0.000 1.305 417 Y HN 0.274 nan 8.280 nan 0.000 0.463 418 I N 3.359 124.079 120.570 0.251 0.000 2.385 418 I HA 0.591 4.761 4.170 -0.000 0.000 0.294 418 I C 0.086 176.385 176.117 0.303 0.000 0.988 418 I CA -0.256 61.146 61.300 0.170 0.000 1.265 418 I CB 1.269 39.333 38.000 0.107 0.000 1.388 418 I HN 0.881 nan 8.210 nan 0.000 0.480 419 S N 4.187 120.024 115.700 0.228 0.000 2.638 419 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 419 S C -0.333 174.325 174.600 0.096 0.000 1.157 419 S CA -0.951 57.388 58.200 0.231 0.000 0.826 419 S CB 1.823 65.178 63.200 0.258 0.000 1.139 419 S HN 0.704 nan 8.310 nan 0.000 0.474 420 N N -0.588 118.172 118.700 0.101 0.000 2.380 420 N HA 0.154 4.894 4.740 -0.000 0.000 0.255 420 N C 0.680 176.178 175.510 -0.020 0.000 1.158 420 N CA -0.405 52.660 53.050 0.026 0.000 0.878 420 N CB 0.387 38.879 38.487 0.009 0.000 1.138 420 N HN 0.755 nan 8.380 nan 0.000 0.509 421 E N 0.534 120.586 120.200 -0.246 0.000 2.152 421 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 421 E C -0.286 176.188 176.600 -0.211 0.000 0.983 421 E CA 0.355 56.395 56.400 -0.600 0.000 0.818 421 E CB 0.050 28.779 29.700 -1.618 0.000 0.758 421 E HN 0.420 nan 8.360 nan 0.000 0.467 422 Y N 1.975 122.199 120.300 -0.128 0.000 2.721 422 Y HA -0.102 4.448 4.550 -0.000 0.000 0.329 422 Y C 0.501 176.370 175.900 -0.052 0.000 1.211 422 Y CA 0.709 58.776 58.100 -0.055 0.000 1.512 422 Y CB 0.147 38.595 38.460 -0.021 0.000 1.249 422 Y HN 0.027 nan 8.280 nan 0.000 0.549 423 K N 3.570 123.649 120.400 -0.534 0.000 3.104 423 K HA -0.259 4.061 4.320 -0.000 0.000 0.285 423 K C 0.867 177.386 176.600 -0.134 0.000 1.136 423 K CA 0.895 56.945 56.287 -0.395 0.000 0.842 423 K CB -1.651 30.562 32.500 -0.477 0.000 1.217 423 K HN 1.271 nan 8.250 nan 0.000 0.467 424 G N 0.398 109.141 108.800 -0.094 0.000 2.203 424 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 424 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 424 G C 0.009 174.890 174.900 -0.031 0.000 1.012 424 G CA 0.836 45.929 45.100 -0.011 0.000 0.749 424 G HN 0.322 nan 8.290 nan 0.000 0.512 425 M N -0.034 119.483 119.600 -0.139 0.000 2.080 425 M HA 0.282 4.762 4.480 -0.000 0.000 0.350 425 M C -1.301 174.768 176.300 -0.385 0.000 1.173 425 M CA -2.037 53.023 55.300 -0.401 0.000 1.052 425 M CB 1.720 34.153 32.600 -0.279 0.000 1.577 425 M HN -0.153 nan 8.290 nan 0.000 0.455 426 P HA -0.054 nan 4.420 nan 0.000 0.222 426 P C 1.155 178.325 177.300 -0.217 0.000 1.147 426 P CA 0.942 63.865 63.100 -0.295 0.000 0.790 426 P CB 0.232 31.737 31.700 -0.324 0.000 0.780 427 G N -1.142 107.482 108.800 -0.294 0.000 3.088 427 G HA2 0.244 4.204 3.960 -0.000 0.000 0.217 427 G HA3 0.244 4.204 3.960 -0.000 0.000 0.217 427 G C 0.684 175.596 174.900 0.021 0.000 1.159 427 G CA 0.083 45.133 45.100 -0.084 0.000 0.760 427 G HN 0.365 nan 8.290 nan 0.000 0.550 428 G N -0.150 108.604 108.800 -0.077 0.000 2.462 428 G HA2 0.624 4.584 3.960 -0.000 0.000 0.319 428 G HA3 0.624 4.584 3.960 -0.000 0.000 0.319 428 G C -0.692 174.092 174.900 -0.193 0.000 1.171 428 G CA -0.730 44.344 45.100 -0.043 0.000 0.920 428 G HN 0.109 nan 8.290 nan 0.000 0.499 429 R N 1.066 121.409 120.500 -0.261 0.000 2.533 429 R HA 0.377 4.717 4.340 -0.000 0.000 0.288 429 R C -1.300 174.953 176.300 -0.078 0.000 1.039 429 R CA -0.784 55.138 56.100 -0.296 0.000 0.909 429 R CB 2.208 32.075 30.300 -0.723 0.000 1.195 429 R HN 0.578 nan 8.270 nan 0.000 0.438 430 N N 1.574 120.257 118.700 -0.028 0.000 2.357 430 N HA 0.350 5.090 4.740 -0.000 0.000 0.284 430 N C -1.292 174.092 175.510 -0.210 0.000 1.236 430 N CA -0.834 52.121 53.050 -0.158 0.000 0.774 430 N CB 2.629 40.917 38.487 -0.331 0.000 1.534 430 N HN 0.254 nan 8.380 nan 0.000 0.478 431 L N 2.173 123.122 121.223 -0.456 0.000 2.290 431 L HA 0.433 4.772 4.340 -0.000 0.000 0.284 431 L C -1.361 175.144 176.870 -0.609 0.000 1.078 431 L CA 0.089 54.690 54.840 -0.399 0.000 0.815 431 L CB -0.212 41.600 42.059 -0.412 0.000 1.162 431 L HN 0.403 nan 8.230 nan 0.000 0.435 432 Y N 3.416 123.377 120.300 -0.564 0.000 2.570 432 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 432 Y C -0.449 175.149 175.900 -0.503 0.000 1.014 432 Y CA -0.918 56.812 58.100 -0.617 0.000 1.063 432 Y CB 1.666 39.554 38.460 -0.953 0.000 1.272 432 Y HN 0.538 nan 8.280 nan 0.000 0.477 433 K N 1.735 122.011 120.400 -0.207 0.000 2.378 433 K HA 0.774 5.094 4.320 -0.000 0.000 0.252 433 K C -1.728 174.853 176.600 -0.031 0.000 0.931 433 K CA -0.579 55.526 56.287 -0.304 0.000 0.794 433 K CB 2.042 34.118 32.500 -0.706 0.000 1.181 433 K HN 0.604 nan 8.250 nan 0.000 0.425 434 I N 2.445 123.058 120.570 0.071 0.000 2.354 434 I HA 0.162 4.332 4.170 -0.000 0.000 0.292 434 I C -0.111 176.107 176.117 0.168 0.000 0.989 434 I CA -0.956 60.445 61.300 0.168 0.000 1.188 434 I CB 1.849 39.944 38.000 0.158 0.000 1.342 434 I HN 0.724 nan 8.210 nan 0.000 0.457 435 Q N 5.490 125.374 119.800 0.140 0.000 2.281 435 Q HA 0.157 4.497 4.340 -0.000 0.000 0.267 435 Q C 0.522 176.447 176.000 -0.125 0.000 1.053 435 Q CA -0.119 55.575 55.803 -0.183 0.000 0.905 435 Q CB 0.900 29.571 28.738 -0.112 0.000 1.195 435 Q HN 0.714 nan 8.270 nan 0.000 0.398 436 L N 2.614 123.709 121.223 -0.213 0.000 2.465 436 L HA -0.119 4.221 4.340 -0.000 0.000 0.224 436 L C 2.053 178.802 176.870 -0.201 0.000 1.145 436 L CA 0.947 55.748 54.840 -0.066 0.000 0.834 436 L CB -0.261 41.744 42.059 -0.090 0.000 0.944 436 L HN 0.658 nan 8.230 nan 0.000 0.451 437 S N -2.576 112.969 115.700 -0.260 0.000 2.501 437 S HA -0.016 4.454 4.470 -0.000 0.000 0.220 437 S C 0.494 174.897 174.600 -0.328 0.000 0.997 437 S CA -0.056 57.977 58.200 -0.279 0.000 0.919 437 S CB 0.139 63.214 63.200 -0.209 0.000 0.778 437 S HN 0.333 nan 8.310 nan 0.000 0.523 438 D N -0.180 120.044 120.400 -0.294 0.000 2.319 438 D HA 0.255 4.895 4.640 -0.000 0.000 0.237 438 D C -0.417 175.825 176.300 -0.097 0.000 1.353 438 D CA -0.621 53.233 54.000 -0.244 0.000 0.992 438 D CB 0.238 40.960 40.800 -0.131 0.000 1.368 438 D HN -0.048 nan 8.370 nan 0.000 0.564 439 Y N 1.029 121.301 120.300 -0.046 0.000 2.483 439 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 439 Y C 2.541 178.443 175.900 0.002 0.000 1.143 439 Y CA 1.529 59.614 58.100 -0.026 0.000 1.289 439 Y CB -0.881 37.561 38.460 -0.031 0.000 0.983 439 Y HN 0.440 nan 8.280 nan 0.000 0.556 440 T N -2.415 112.214 114.554 0.125 0.000 3.113 440 T HA -0.031 4.319 4.350 -0.000 0.000 0.263 440 T C 0.638 175.387 174.700 0.082 0.000 1.143 440 T CA 0.263 62.416 62.100 0.088 0.000 1.090 440 T CB -0.226 68.669 68.868 0.045 0.000 0.922 440 T HN 0.123 nan 8.240 nan 0.000 0.521 441 K N 2.192 122.643 120.400 0.086 0.000 2.290 441 K HA 0.472 4.792 4.320 -0.000 0.000 0.250 441 K C -1.215 175.458 176.600 0.122 0.000 1.092 441 K CA -0.359 55.980 56.287 0.086 0.000 1.006 441 K CB 1.367 33.907 32.500 0.066 0.000 1.549 441 K HN 0.134 nan 8.250 nan 0.000 0.436 442 V N 2.009 121.997 119.914 0.124 0.000 2.370 442 V HA 0.189 4.309 4.120 -0.000 0.000 0.283 442 V C 0.312 176.472 176.094 0.110 0.000 1.023 442 V CA -0.686 61.703 62.300 0.148 0.000 0.857 442 V CB 1.527 33.463 31.823 0.188 0.000 0.985 442 V HN 0.604 nan 8.190 nan 0.000 0.443 443 T N 4.386 118.975 114.554 0.058 0.000 2.779 443 T HA 0.274 4.624 4.350 -0.000 0.000 0.280 443 T C -0.203 174.432 174.700 -0.107 0.000 0.987 443 T CA -0.420 61.670 62.100 -0.017 0.000 0.966 443 T CB 0.836 69.668 68.868 -0.060 0.000 0.933 443 T HN 0.819 nan 8.240 nan 0.000 0.442 444 C N 6.393 125.569 119.300 -0.207 0.000 2.632 444 C HA 0.407 4.867 4.460 -0.000 0.000 0.415 444 C C 1.567 176.245 174.990 -0.520 0.000 1.332 444 C CA -0.529 58.088 59.018 -0.669 0.000 1.874 444 C CB -1.688 25.552 27.740 -0.833 0.000 2.596 444 C HN 0.996 nan 8.230 nan 0.000 0.590 445 L N 4.846 125.724 121.223 -0.575 0.000 2.616 445 L HA 0.134 4.474 4.340 -0.000 0.000 0.229 445 L C 1.975 178.545 176.870 -0.499 0.000 1.110 445 L CA 0.622 55.214 54.840 -0.413 0.000 0.884 445 L CB -0.189 41.677 42.059 -0.322 0.000 1.115 445 L HN 0.890 nan 8.230 nan 0.000 0.481 446 S N -3.159 112.126 115.700 -0.691 0.000 2.628 446 S HA -0.008 4.461 4.470 -0.000 0.000 0.246 446 S C 1.695 175.887 174.600 -0.681 0.000 1.062 446 S CA -0.124 57.564 58.200 -0.853 0.000 1.028 446 S CB -0.242 62.095 63.200 -1.438 0.000 0.985 446 S HN 0.286 nan 8.310 nan 0.000 0.551 447 C N 2.345 121.225 119.300 -0.701 0.000 2.413 447 C HA 0.080 4.540 4.460 -0.000 0.000 0.277 447 C C 2.216 176.894 174.990 -0.520 0.000 1.265 447 C CA 0.912 59.436 59.018 -0.823 0.000 1.752 447 C CB -0.842 26.194 27.740 -1.174 0.000 1.998 447 C HN 0.582 nan 8.230 nan 0.000 0.489 448 E N -0.125 119.871 120.200 -0.339 0.000 2.526 448 E HA 0.212 4.562 4.350 -0.000 0.000 0.208 448 E C 1.859 178.401 176.600 -0.096 0.000 0.997 448 E CA -0.069 56.229 56.400 -0.170 0.000 0.961 448 E CB -0.166 29.456 29.700 -0.130 0.000 1.030 448 E HN 0.613 nan 8.360 nan 0.000 0.483 449 L N 0.553 121.716 121.223 -0.101 0.000 2.012 449 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 449 L C 0.566 177.442 176.870 0.010 0.000 1.073 449 L CA 1.102 55.925 54.840 -0.028 0.000 0.748 449 L CB 0.001 42.064 42.059 0.007 0.000 0.891 449 L HN 0.011 nan 8.230 nan 0.000 0.431 450 N N -1.571 117.150 118.700 0.034 0.000 2.785 450 N HA 0.115 4.855 4.740 -0.000 0.000 0.224 450 N C -2.121 173.408 175.510 0.031 0.000 1.448 450 N CA -0.504 52.563 53.050 0.027 0.000 0.748 450 N CB 1.134 39.636 38.487 0.025 0.000 1.385 450 N HN -0.044 nan 8.380 nan 0.000 0.538 451 P HA -0.068 nan 4.420 nan 0.000 0.223 451 P C 0.682 178.017 177.300 0.059 0.000 1.151 451 P CA 1.182 64.316 63.100 0.057 0.000 0.787 451 P CB 0.752 32.495 31.700 0.071 0.000 0.788 452 E N -0.129 120.090 120.200 0.031 0.000 2.122 452 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 452 E C 2.346 178.946 176.600 0.001 0.000 0.977 452 E CA 0.453 56.865 56.400 0.020 0.000 0.820 452 E CB -0.206 29.499 29.700 0.008 0.000 0.770 452 E HN 0.153 nan 8.360 nan 0.000 0.462 453 R N -0.071 120.418 120.500 -0.019 0.000 2.173 453 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 453 R C -0.254 175.996 176.300 -0.082 0.000 1.035 453 R CA 0.485 56.551 56.100 -0.056 0.000 1.004 453 R CB 0.430 30.686 30.300 -0.074 0.000 0.917 453 R HN 0.085 nan 8.270 nan 0.000 0.462 454 c N 0.641 119.201 118.600 -0.066 0.000 2.383 454 c HA 0.404 4.974 4.570 -0.000 0.000 0.330 454 c C -0.071 173.989 174.090 -0.049 0.000 1.168 454 c CA -0.659 55.572 56.329 -0.163 0.000 1.374 454 c CB 1.481 43.859 42.510 -0.219 0.000 2.014 454 c HN 0.528 nan 8.230 nan 0.000 0.439 455 Q N 0.551 120.316 119.800 -0.059 0.000 2.040 455 Q HA 0.177 4.517 4.340 -0.000 0.000 0.212 455 Q C -0.956 175.102 176.000 0.097 0.000 0.766 455 Q CA 0.052 55.903 55.803 0.080 0.000 0.967 455 Q CB 1.414 30.217 28.738 0.108 0.000 1.202 455 Q HN 0.773 nan 8.270 nan 0.000 0.446 456 Y N 0.548 120.749 120.300 -0.165 0.000 2.445 456 Y HA 0.380 4.930 4.550 -0.000 0.000 0.332 456 Y C -1.607 174.173 175.900 -0.200 0.000 1.037 456 Y CA -1.047 56.986 58.100 -0.111 0.000 1.296 456 Y CB 0.603 39.006 38.460 -0.095 0.000 1.099 456 Y HN -0.074 nan 8.280 nan 0.000 0.496 457 Y N 2.342 122.588 120.300 -0.091 0.000 2.457 457 Y HA 0.636 5.185 4.550 -0.000 0.000 0.333 457 Y C 0.445 176.314 175.900 -0.052 0.000 1.119 457 Y CA -0.326 57.735 58.100 -0.065 0.000 1.143 457 Y CB 2.086 40.467 38.460 -0.131 0.000 1.230 457 Y HN 0.525 nan 8.280 nan 0.000 0.469 458 S N 1.004 116.809 115.700 0.175 0.000 2.704 458 S HA 0.888 5.358 4.470 -0.000 0.000 0.296 458 S C -1.535 173.145 174.600 0.132 0.000 1.138 458 S CA -0.729 57.556 58.200 0.140 0.000 0.875 458 S CB 1.838 65.133 63.200 0.158 0.000 1.151 458 S HN 0.653 nan 8.310 nan 0.000 0.500 459 V N 0.018 120.006 119.914 0.123 0.000 3.147 459 V HA 0.869 4.989 4.120 -0.000 0.000 0.306 459 V C -1.483 174.692 176.094 0.136 0.000 1.209 459 V CA -0.058 62.287 62.300 0.075 0.000 1.023 459 V CB 2.199 33.991 31.823 -0.051 0.000 1.059 459 V HN 1.318 nan 8.190 nan 0.000 0.435 460 S N 4.055 119.825 115.700 0.115 0.000 2.776 460 S HA 0.670 5.140 4.470 -0.000 0.000 0.284 460 S C -1.365 173.400 174.600 0.274 0.000 1.160 460 S CA -0.367 58.006 58.200 0.287 0.000 1.051 460 S CB 0.587 64.005 63.200 0.364 0.000 1.037 460 S HN 0.531 nan 8.310 nan 0.000 0.485 461 F N 3.429 123.475 119.950 0.159 0.000 2.385 461 F HA 0.452 4.979 4.527 -0.000 0.000 0.336 461 F C 1.396 176.850 175.800 -0.577 0.000 1.100 461 F CA -0.193 57.730 58.000 -0.127 0.000 1.116 461 F CB 1.606 40.512 39.000 -0.157 0.000 1.166 461 F HN 0.673 nan 8.300 nan 0.000 0.511 462 S N 2.580 117.608 115.700 -1.120 0.000 2.617 462 S HA 0.259 4.729 4.470 -0.000 0.000 0.259 462 S C -0.158 174.264 174.600 -0.297 0.000 1.301 462 S CA -1.038 56.403 58.200 -1.265 0.000 0.984 462 S CB 0.389 62.763 63.200 -1.376 0.000 0.954 462 S HN 0.552 nan 8.310 nan 0.000 0.572 463 K N 1.260 121.613 120.400 -0.078 0.000 2.527 463 K HA -0.001 4.319 4.320 -0.000 0.000 0.278 463 K C 0.440 177.055 176.600 0.024 0.000 0.981 463 K CA 0.697 57.008 56.287 0.040 0.000 1.009 463 K CB -0.098 32.463 32.500 0.103 0.000 0.895 463 K HN 0.796 nan 8.250 nan 0.000 0.493 464 E N 0.492 120.718 120.200 0.043 0.000 3.370 464 E HA -0.327 4.023 4.350 -0.000 0.000 0.291 464 E C -0.028 176.577 176.600 0.008 0.000 0.916 464 E CA 0.436 56.859 56.400 0.039 0.000 0.981 464 E CB -1.421 28.309 29.700 0.050 0.000 1.498 464 E HN 0.879 nan 8.360 nan 0.000 0.452 465 A N -0.472 122.340 122.820 -0.013 0.000 2.832 465 A HA -0.373 3.947 4.320 -0.000 0.000 0.280 465 A C 1.234 178.822 177.584 0.006 0.000 1.464 465 A CA 2.224 54.264 52.037 0.004 0.000 0.804 465 A CB -1.761 17.129 19.000 -0.185 0.000 1.020 465 A HN 0.423 nan 8.150 nan 0.000 0.563 466 K N -1.762 118.592 120.400 -0.077 0.000 2.097 466 K HA 0.070 4.390 4.320 -0.000 0.000 0.205 466 K C 0.272 176.548 176.600 -0.540 0.000 1.050 466 K CA 1.677 57.801 56.287 -0.272 0.000 0.938 466 K CB -0.033 32.327 32.500 -0.233 0.000 0.718 466 K HN 0.711 nan 8.250 nan 0.000 0.442 467 Y N -1.429 118.794 120.300 -0.128 0.000 2.605 467 Y HA 0.344 4.894 4.550 -0.000 0.000 0.343 467 Y C -0.995 174.781 175.900 -0.208 0.000 1.036 467 Y CA -1.397 56.603 58.100 -0.166 0.000 1.065 467 Y CB 1.646 40.022 38.460 -0.141 0.000 1.288 467 Y HN -0.049 nan 8.280 nan 0.000 0.481 468 Y N -1.292 118.958 120.300 -0.085 0.000 2.544 468 Y HA 0.517 5.067 4.550 -0.000 0.000 0.342 468 Y C -1.209 174.722 175.900 0.051 0.000 1.062 468 Y CA -1.501 56.412 58.100 -0.311 0.000 1.023 468 Y CB 1.505 39.224 38.460 -1.235 0.000 1.308 468 Y HN 0.577 nan 8.280 nan 0.000 0.457 469 Q N 3.641 123.608 119.800 0.279 0.000 2.303 469 Q HA 0.514 4.854 4.340 -0.000 0.000 0.257 469 Q C -1.629 174.465 176.000 0.157 0.000 0.941 469 Q CA -0.605 55.307 55.803 0.182 0.000 0.931 469 Q CB 1.173 29.971 28.738 0.100 0.000 1.215 469 Q HN 0.950 nan 8.270 nan 0.000 0.437 470 L N 3.928 125.256 121.223 0.175 0.000 2.334 470 L HA 0.534 4.874 4.340 -0.000 0.000 0.277 470 L C 0.036 176.977 176.870 0.118 0.000 1.075 470 L CA -0.450 54.481 54.840 0.152 0.000 0.804 470 L CB 1.315 43.452 42.059 0.130 0.000 1.174 470 L HN 0.587 nan 8.230 nan 0.000 0.438 471 R N 2.810 123.362 120.500 0.088 0.000 2.468 471 R HA 0.333 4.673 4.340 -0.000 0.000 0.302 471 R C -1.197 174.961 176.300 -0.238 0.000 1.041 471 R CA -0.494 55.500 56.100 -0.177 0.000 0.899 471 R CB 1.351 31.631 30.300 -0.033 0.000 1.167 471 R HN 0.754 nan 8.270 nan 0.000 0.483 472 c N 2.940 121.256 118.600 -0.474 0.000 2.388 472 c HA 0.513 5.083 4.570 -0.000 0.000 0.362 472 c C 0.732 174.578 174.090 -0.407 0.000 1.266 472 c CA -0.223 55.725 56.329 -0.636 0.000 2.028 472 c CB 1.180 43.226 42.510 -0.773 0.000 2.440 472 c HN 0.957 nan 8.230 nan 0.000 0.547 473 S N 2.741 118.296 115.700 -0.241 0.000 2.603 473 S HA 0.553 5.023 4.470 -0.000 0.000 0.232 473 S C 0.456 175.004 174.600 -0.087 0.000 1.016 473 S CA 0.401 58.522 58.200 -0.132 0.000 0.976 473 S CB 0.396 63.539 63.200 -0.094 0.000 0.921 473 S HN 1.472 nan 8.310 nan 0.000 0.516 474 G N 1.823 110.557 108.800 -0.110 0.000 2.321 474 G HA2 0.245 4.205 3.960 -0.000 0.000 0.295 474 G HA3 0.245 4.205 3.960 -0.000 0.000 0.295 474 G C -3.012 171.862 174.900 -0.044 0.000 1.314 474 G CA -0.618 44.458 45.100 -0.041 0.000 0.850 474 G HN -0.185 nan 8.290 nan 0.000 0.551 475 P HA 0.145 nan 4.420 nan 0.000 0.236 475 P C 1.326 178.650 177.300 0.041 0.000 1.177 475 P CA 1.280 64.406 63.100 0.044 0.000 0.773 475 P CB 0.281 32.006 31.700 0.042 0.000 0.878 476 G N 0.559 109.318 108.800 -0.068 0.000 2.553 476 G HA2 0.344 4.304 3.960 -0.000 0.000 0.278 476 G HA3 0.344 4.304 3.960 -0.000 0.000 0.278 476 G C -0.205 174.474 174.900 -0.370 0.000 1.349 476 G CA -0.683 44.308 45.100 -0.182 0.000 1.037 476 G HN 0.056 nan 8.290 nan 0.000 0.508 477 L N 1.061 121.981 121.223 -0.506 0.000 2.456 477 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 477 L C -1.870 174.822 176.870 -0.296 0.000 1.189 477 L CA -1.329 53.164 54.840 -0.578 0.000 0.846 477 L CB 0.565 42.363 42.059 -0.435 0.000 1.111 477 L HN 0.237 nan 8.230 nan 0.000 0.475 478 P HA 0.030 nan 4.420 nan 0.000 0.265 478 P C -0.848 176.336 177.300 -0.194 0.000 1.187 478 P CA 0.275 63.262 63.100 -0.189 0.000 0.766 478 P CB 0.502 32.178 31.700 -0.041 0.000 0.820 479 L N 4.308 125.311 121.223 -0.367 0.000 2.406 479 L HA 0.421 4.761 4.340 -0.000 0.000 0.272 479 L C -1.333 175.315 176.870 -0.370 0.000 0.980 479 L CA -0.833 53.866 54.840 -0.234 0.000 0.831 479 L CB 1.099 43.059 42.059 -0.165 0.000 1.253 479 L HN 0.348 nan 8.230 nan 0.000 0.406 480 Y N 2.140 122.388 120.300 -0.087 0.000 2.328 480 Y HA 0.519 5.069 4.550 -0.000 0.000 0.337 480 Y C 0.603 176.390 175.900 -0.189 0.000 0.966 480 Y CA -0.654 57.374 58.100 -0.120 0.000 1.136 480 Y CB 2.018 40.377 38.460 -0.169 0.000 1.170 480 Y HN 0.492 nan 8.280 nan 0.000 0.470 481 T N 1.078 115.636 114.554 0.005 0.000 2.893 481 T HA 0.703 5.053 4.350 -0.000 0.000 0.291 481 T C -1.344 173.310 174.700 -0.078 0.000 1.028 481 T CA -0.876 61.184 62.100 -0.068 0.000 0.995 481 T CB 1.955 70.856 68.868 0.055 0.000 1.051 481 T HN 0.411 nan 8.240 nan 0.000 0.470 482 L N 1.951 123.010 121.223 -0.272 0.000 2.329 482 L HA 0.719 5.059 4.340 -0.000 0.000 0.279 482 L C -1.217 175.383 176.870 -0.451 0.000 1.014 482 L CA -0.242 54.478 54.840 -0.200 0.000 0.814 482 L CB 1.223 43.186 42.059 -0.159 0.000 1.257 482 L HN 0.882 nan 8.230 nan 0.000 0.424 483 H N 1.090 119.946 119.070 -0.357 0.000 2.821 483 H HA 0.559 5.115 4.556 -0.000 0.000 0.373 483 H C -0.912 174.169 175.328 -0.412 0.000 1.165 483 H CA -0.667 55.059 56.048 -0.537 0.000 1.154 483 H CB 1.967 31.076 29.762 -1.089 0.000 1.765 483 H HN 0.497 nan 8.280 nan 0.000 0.549 484 S N 0.542 116.174 115.700 -0.114 0.000 2.457 484 S HA 0.199 4.669 4.470 -0.000 0.000 0.289 484 S C 0.644 175.176 174.600 -0.113 0.000 1.163 484 S CA -0.544 57.610 58.200 -0.077 0.000 1.078 484 S CB 0.733 63.931 63.200 -0.003 0.000 0.987 484 S HN 0.650 nan 8.310 nan 0.000 0.482 485 S N 3.684 119.316 115.700 -0.113 0.000 2.428 485 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 485 S C 1.982 176.602 174.600 0.034 0.000 1.014 485 S CA 0.850 59.109 58.200 0.097 0.000 0.957 485 S CB -0.306 62.955 63.200 0.102 0.000 0.784 485 S HN 0.642 nan 8.310 nan 0.000 0.499 486 V N 2.226 122.107 119.914 -0.055 0.000 2.233 486 V HA -0.269 3.851 4.120 -0.000 0.000 0.252 486 V C 1.232 177.330 176.094 0.007 0.000 1.063 486 V CA 2.130 64.417 62.300 -0.023 0.000 1.032 486 V CB -0.536 31.259 31.823 -0.048 0.000 0.645 486 V HN 0.481 nan 8.190 nan 0.000 0.446 487 N N -1.579 117.122 118.700 0.002 0.000 2.241 487 N HA 0.164 4.904 4.740 -0.000 0.000 0.238 487 N C -0.717 174.802 175.510 0.015 0.000 1.244 487 N CA -0.031 53.023 53.050 0.007 0.000 0.880 487 N CB 0.542 39.031 38.487 0.004 0.000 1.179 487 N HN 0.326 nan 8.380 nan 0.000 0.513 488 D N 0.828 121.255 120.400 0.046 0.000 2.697 488 D HA -0.220 4.420 4.640 -0.000 0.000 0.238 488 D C -0.176 176.159 176.300 0.058 0.000 1.152 488 D CA 1.003 55.059 54.000 0.093 0.000 0.666 488 D CB -0.556 40.295 40.800 0.085 0.000 1.037 488 D HN 0.452 nan 8.370 nan 0.000 0.423 489 K N 0.516 120.928 120.400 0.020 0.000 2.156 489 K HA 0.479 4.799 4.320 -0.000 0.000 0.271 489 K C 0.665 177.239 176.600 -0.044 0.000 0.995 489 K CA -0.385 55.901 56.287 -0.002 0.000 0.890 489 K CB 1.090 33.579 32.500 -0.019 0.000 1.073 489 K HN 0.073 nan 8.250 nan 0.000 0.454 490 G N 3.689 112.443 108.800 -0.077 0.000 2.380 490 G HA2 0.122 4.082 3.960 -0.000 0.000 0.242 490 G HA3 0.122 4.082 3.960 -0.000 0.000 0.242 490 G C 0.482 175.234 174.900 -0.247 0.000 1.298 490 G CA -0.373 44.546 45.100 -0.300 0.000 0.878 490 G HN 0.708 nan 8.290 nan 0.000 0.542 491 L N 1.631 122.663 121.223 -0.320 0.000 2.262 491 L HA 0.374 4.714 4.340 -0.000 0.000 0.197 491 L C 1.518 178.284 176.870 -0.173 0.000 1.073 491 L CA 0.555 55.283 54.840 -0.187 0.000 0.800 491 L CB -0.003 41.966 42.059 -0.150 0.000 0.987 491 L HN 0.774 nan 8.230 nan 0.000 0.470 492 R N -1.698 118.666 120.500 -0.227 0.000 2.728 492 R HA 0.399 4.739 4.340 -0.000 0.000 0.274 492 R C -1.588 174.580 176.300 -0.219 0.000 1.032 492 R CA -0.862 55.129 56.100 -0.182 0.000 0.866 492 R CB 1.379 31.600 30.300 -0.132 0.000 1.263 492 R HN -0.267 nan 8.270 nan 0.000 0.475 493 V N 2.941 122.752 119.914 -0.171 0.000 2.555 493 V HA 0.135 4.255 4.120 -0.000 0.000 0.286 493 V C 1.213 177.167 176.094 -0.233 0.000 1.044 493 V CA -0.154 62.045 62.300 -0.168 0.000 1.026 493 V CB 1.097 32.855 31.823 -0.107 0.000 0.981 493 V HN 0.649 nan 8.190 nan 0.000 0.480 494 L N 2.261 123.286 121.223 -0.331 0.000 2.362 494 L HA 0.379 4.719 4.340 -0.000 0.000 0.204 494 L C 0.596 177.215 176.870 -0.418 0.000 1.060 494 L CA 0.474 54.938 54.840 -0.627 0.000 0.827 494 L CB 0.282 41.604 42.059 -1.228 0.000 1.027 494 L HN 0.662 nan 8.230 nan 0.000 0.474 495 E N 0.141 120.232 120.200 -0.183 0.000 2.307 495 E HA 0.119 4.469 4.350 -0.000 0.000 0.280 495 E C -1.212 175.443 176.600 0.091 0.000 0.900 495 E CA -0.353 56.047 56.400 0.001 0.000 0.790 495 E CB 1.247 30.965 29.700 0.029 0.000 1.261 495 E HN 0.182 nan 8.360 nan 0.000 0.405 496 D N 2.845 123.270 120.400 0.043 0.000 2.433 496 D HA 0.157 4.797 4.640 -0.000 0.000 0.211 496 D C -0.247 176.064 176.300 0.017 0.000 1.114 496 D CA -0.248 53.764 54.000 0.020 0.000 0.837 496 D CB 0.042 40.833 40.800 -0.015 0.000 0.984 496 D HN 0.412 nan 8.370 nan 0.000 0.505 497 N N 0.291 119.019 118.700 0.047 0.000 2.754 497 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 497 N C 0.944 176.461 175.510 0.012 0.000 1.093 497 N CA 0.900 53.973 53.050 0.039 0.000 0.699 497 N CB -1.408 37.094 38.487 0.026 0.000 1.016 497 N HN 0.470 nan 8.380 nan 0.000 0.552 498 S N -1.236 114.473 115.700 0.015 0.000 2.383 498 S HA -0.015 4.455 4.470 -0.000 0.000 0.227 498 S C 2.115 176.730 174.600 0.025 0.000 1.026 498 S CA 0.971 59.176 58.200 0.009 0.000 0.981 498 S CB -0.152 63.053 63.200 0.009 0.000 0.818 498 S HN 0.500 nan 8.310 nan 0.000 0.472 499 A N 2.565 125.409 122.820 0.041 0.000 1.883 499 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 499 A C 2.273 179.903 177.584 0.076 0.000 1.186 499 A CA 1.581 53.651 52.037 0.056 0.000 0.624 499 A CB -0.938 18.099 19.000 0.061 0.000 0.822 499 A HN 0.512 nan 8.150 nan 0.000 0.444 500 L N -0.113 121.158 121.223 0.080 0.000 2.131 500 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 500 L C 1.911 178.821 176.870 0.067 0.000 1.092 500 L CA 2.807 57.713 54.840 0.110 0.000 0.759 500 L CB -1.108 41.013 42.059 0.104 0.000 0.903 500 L HN 0.474 nan 8.230 nan 0.000 0.435 501 D N 0.006 120.417 120.400 0.019 0.000 2.117 501 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 501 D C 2.167 178.478 176.300 0.018 0.000 0.987 501 D CA 1.384 55.378 54.000 -0.010 0.000 0.829 501 D CB 0.202 40.986 40.800 -0.028 0.000 0.961 501 D HN 0.266 nan 8.370 nan 0.000 0.460 502 K N -0.390 120.033 120.400 0.039 0.000 2.009 502 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 502 K C 2.369 179.013 176.600 0.073 0.000 1.049 502 K CA 1.355 57.671 56.287 0.049 0.000 0.929 502 K CB -0.263 32.269 32.500 0.054 0.000 0.714 502 K HN 0.286 nan 8.250 nan 0.000 0.440 503 M N 0.845 120.515 119.600 0.116 0.000 2.117 503 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 503 M C 2.170 178.546 176.300 0.127 0.000 1.065 503 M CA 1.524 56.937 55.300 0.188 0.000 1.114 503 M CB -0.373 32.430 32.600 0.340 0.000 1.361 503 M HN 0.124 nan 8.290 nan 0.000 0.408 504 L N -0.343 120.902 121.223 0.037 0.000 2.275 504 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 504 L C 2.211 179.066 176.870 -0.025 0.000 1.119 504 L CA 0.965 55.763 54.840 -0.070 0.000 0.790 504 L CB -0.665 41.351 42.059 -0.072 0.000 0.919 504 L HN 0.431 nan 8.230 nan 0.000 0.443 505 Q N -0.073 119.733 119.800 0.010 0.000 2.437 505 Q HA -0.118 4.222 4.340 -0.000 0.000 0.210 505 Q C 1.184 177.204 176.000 0.032 0.000 0.972 505 Q CA 0.726 56.539 55.803 0.016 0.000 0.903 505 Q CB 0.071 28.822 28.738 0.021 0.000 0.967 505 Q HN 0.493 nan 8.270 nan 0.000 0.486 506 N N -0.145 118.585 118.700 0.049 0.000 2.280 506 N HA 0.025 4.765 4.740 -0.000 0.000 0.192 506 N C -0.046 175.507 175.510 0.072 0.000 1.109 506 N CA 0.239 53.331 53.050 0.070 0.000 0.855 506 N CB 0.949 39.496 38.487 0.100 0.000 0.974 506 N HN 0.083 nan 8.380 nan 0.000 0.482 507 V N -1.671 118.264 119.914 0.035 0.000 2.769 507 V HA 0.436 4.556 4.120 -0.000 0.000 0.312 507 V C -0.353 175.752 176.094 0.019 0.000 1.061 507 V CA -1.035 61.287 62.300 0.037 0.000 0.931 507 V CB 2.098 33.910 31.823 -0.018 0.000 1.010 507 V HN -0.115 nan 8.190 nan 0.000 0.433 508 Q N 4.331 124.155 119.800 0.040 0.000 2.452 508 Q HA 0.375 4.715 4.340 -0.000 0.000 0.230 508 Q C -0.409 175.569 176.000 -0.036 0.000 1.180 508 Q CA -0.244 55.556 55.803 -0.005 0.000 0.914 508 Q CB 0.630 29.389 28.738 0.034 0.000 1.408 508 Q HN 0.636 nan 8.270 nan 0.000 0.520 509 M N 3.906 123.466 119.600 -0.067 0.000 2.242 509 M HA 0.283 4.763 4.480 -0.000 0.000 0.344 509 M C -1.966 174.267 176.300 -0.112 0.000 1.140 509 M CA -2.504 52.743 55.300 -0.089 0.000 1.160 509 M CB -0.078 32.477 32.600 -0.075 0.000 1.491 509 M HN 0.322 nan 8.290 nan 0.000 0.459 510 P HA 0.187 nan 4.420 nan 0.000 0.274 510 P C -0.646 176.573 177.300 -0.135 0.000 1.246 510 P CA -0.303 62.712 63.100 -0.140 0.000 0.795 510 P CB 0.515 32.121 31.700 -0.157 0.000 1.006 511 S N -0.252 115.358 115.700 -0.150 0.000 2.739 511 S HA 0.619 5.089 4.470 -0.000 0.000 0.306 511 S C -0.574 173.931 174.600 -0.158 0.000 1.115 511 S CA -0.763 57.359 58.200 -0.131 0.000 0.985 511 S CB 1.721 64.846 63.200 -0.125 0.000 1.133 511 S HN 0.508 nan 8.310 nan 0.000 0.541 512 K N 0.489 120.816 120.400 -0.121 0.000 2.426 512 K HA 0.398 4.718 4.320 -0.000 0.000 0.254 512 K C -1.377 175.162 176.600 -0.102 0.000 0.936 512 K CA -0.515 55.706 56.287 -0.111 0.000 0.801 512 K CB 1.476 33.934 32.500 -0.070 0.000 1.139 512 K HN 0.722 nan 8.250 nan 0.000 0.424 513 K N 5.369 125.696 120.400 -0.121 0.000 2.185 513 K HA 0.353 4.673 4.320 -0.000 0.000 0.269 513 K C -1.304 175.245 176.600 -0.085 0.000 0.987 513 K CA -0.678 55.546 56.287 -0.104 0.000 0.865 513 K CB 1.017 33.437 32.500 -0.134 0.000 1.090 513 K HN 0.561 nan 8.250 nan 0.000 0.450 514 L N 4.461 125.650 121.223 -0.056 0.000 2.319 514 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 514 L C -1.173 175.688 176.870 -0.016 0.000 1.005 514 L CA -0.248 54.589 54.840 -0.004 0.000 0.828 514 L CB 1.333 43.458 42.059 0.110 0.000 1.227 514 L HN 0.859 nan 8.230 nan 0.000 0.415 515 D N 2.846 123.076 120.400 -0.282 0.000 2.825 515 D HA 0.500 5.140 4.640 -0.000 0.000 0.327 515 D C -1.555 174.390 176.300 -0.593 0.000 1.277 515 D CA 0.024 53.760 54.000 -0.440 0.000 0.950 515 D CB 2.232 42.722 40.800 -0.517 0.000 1.438 515 D HN 0.202 nan 8.370 nan 0.000 0.526 516 F N -0.105 119.518 119.950 -0.546 0.000 2.626 516 F HA 0.705 5.232 4.527 -0.000 0.000 0.311 516 F C -0.683 175.174 175.800 0.095 0.000 1.088 516 F CA -1.058 56.705 58.000 -0.395 0.000 0.949 516 F CB 0.748 39.040 39.000 -1.181 0.000 1.322 516 F HN 0.280 nan 8.300 nan 0.000 0.461 517 I N 0.265 121.128 120.570 0.488 0.000 3.023 517 I HA 0.685 4.855 4.170 -0.000 0.000 0.312 517 I C -1.101 175.258 176.117 0.402 0.000 1.056 517 I CA -1.303 60.219 61.300 0.370 0.000 1.033 517 I CB 2.142 40.312 38.000 0.284 0.000 1.233 517 I HN 0.426 nan 8.210 nan 0.000 0.462 518 I N 3.632 124.370 120.570 0.281 0.000 2.354 518 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 518 I C -0.682 175.576 176.117 0.235 0.000 0.989 518 I CA -0.574 60.864 61.300 0.231 0.000 1.188 518 I CB 1.210 39.303 38.000 0.155 0.000 1.342 518 I HN 0.411 nan 8.210 nan 0.000 0.457 519 L N 6.357 127.778 121.223 0.328 0.000 2.381 519 L HA 0.455 4.795 4.340 -0.000 0.000 0.274 519 L C 0.037 177.048 176.870 0.235 0.000 0.988 519 L CA -0.362 54.643 54.840 0.275 0.000 0.824 519 L CB 0.992 43.251 42.059 0.333 0.000 1.263 519 L HN 0.438 nan 8.230 nan 0.000 0.410 520 N N 3.376 122.155 118.700 0.130 0.000 2.689 520 N HA -0.278 4.462 4.740 -0.000 0.000 0.263 520 N C 0.830 176.388 175.510 0.080 0.000 0.987 520 N CA 1.388 54.492 53.050 0.090 0.000 0.782 520 N CB -0.754 37.782 38.487 0.081 0.000 0.903 520 N HN 0.894 nan 8.380 nan 0.000 0.547 521 E N -3.530 116.708 120.200 0.063 0.000 4.028 521 E HA -0.261 4.089 4.350 -0.000 0.000 0.343 521 E C -1.048 175.545 176.600 -0.012 0.000 0.700 521 E CA 1.557 57.973 56.400 0.026 0.000 1.288 521 E CB -1.081 28.629 29.700 0.016 0.000 1.677 521 E HN 0.497 nan 8.360 nan 0.000 0.424 522 T N 0.642 115.184 114.554 -0.020 0.000 2.893 522 T HA 0.436 4.786 4.350 -0.000 0.000 0.291 522 T C -0.642 173.877 174.700 -0.302 0.000 1.028 522 T CA -0.798 61.185 62.100 -0.195 0.000 0.995 522 T CB 1.717 70.399 68.868 -0.311 0.000 1.051 522 T HN 0.062 nan 8.240 nan 0.000 0.470 523 K N 1.657 121.809 120.400 -0.413 0.000 2.322 523 K HA 0.448 4.768 4.320 -0.000 0.000 0.283 523 K C -1.141 175.111 176.600 -0.580 0.000 1.042 523 K CA -0.012 56.023 56.287 -0.419 0.000 0.958 523 K CB 0.402 32.525 32.500 -0.629 0.000 0.984 523 K HN 0.385 nan 8.250 nan 0.000 0.473 524 F N 1.702 121.706 119.950 0.090 0.000 2.547 524 F HA 0.320 4.847 4.527 -0.000 0.000 0.316 524 F C -0.586 175.315 175.800 0.168 0.000 1.121 524 F CA -0.831 57.247 58.000 0.129 0.000 0.911 524 F CB 1.008 40.084 39.000 0.127 0.000 1.179 524 F HN 0.435 nan 8.300 nan 0.000 0.443 525 W N 3.291 124.749 121.300 0.263 0.000 2.375 525 W HA 0.563 5.223 4.660 -0.000 0.000 0.336 525 W C -0.639 176.093 176.519 0.355 0.000 1.160 525 W CA -0.594 56.931 57.345 0.299 0.000 1.266 525 W CB 0.752 30.319 29.460 0.178 0.000 1.195 525 W HN 0.452 nan 8.180 nan 0.000 0.599 526 Y N -0.594 120.034 120.300 0.546 0.000 2.615 526 Y HA 0.655 5.205 4.550 -0.000 0.000 0.341 526 Y C -0.941 175.184 175.900 0.376 0.000 1.089 526 Y CA -1.886 56.522 58.100 0.514 0.000 1.049 526 Y CB 1.069 39.968 38.460 0.733 0.000 1.296 526 Y HN 0.561 nan 8.280 nan 0.000 0.470 527 Q N 1.961 121.996 119.800 0.393 0.000 2.413 527 Q HA 0.753 5.093 4.340 -0.000 0.000 0.276 527 Q C -1.706 174.430 176.000 0.227 0.000 1.099 527 Q CA -1.172 54.739 55.803 0.181 0.000 0.814 527 Q CB 3.288 32.103 28.738 0.129 0.000 1.379 527 Q HN 0.856 nan 8.270 nan 0.000 0.436 528 M N 2.429 122.080 119.600 0.086 0.000 2.326 528 M HA 0.475 4.955 4.480 -0.000 0.000 0.306 528 M C -1.106 175.132 176.300 -0.103 0.000 1.054 528 M CA -0.637 54.654 55.300 -0.015 0.000 0.922 528 M CB 2.313 34.870 32.600 -0.072 0.000 1.632 528 M HN 0.603 nan 8.290 nan 0.000 0.436 529 I N 4.838 125.346 120.570 -0.103 0.000 2.301 529 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 529 I C -0.752 175.232 176.117 -0.221 0.000 1.046 529 I CA -0.386 60.826 61.300 -0.147 0.000 1.282 529 I CB 0.472 38.406 38.000 -0.110 0.000 1.409 529 I HN 0.522 nan 8.210 nan 0.000 0.484 530 L N 8.557 129.598 121.223 -0.304 0.000 2.309 530 L HA 0.484 4.824 4.340 -0.000 0.000 0.282 530 L C -2.259 174.450 176.870 -0.269 0.000 1.036 530 L CA -2.006 52.566 54.840 -0.446 0.000 0.806 530 L CB 1.189 42.782 42.059 -0.776 0.000 1.220 530 L HN 0.262 nan 8.230 nan 0.000 0.429 531 P HA 0.035 nan 4.420 nan 0.000 0.268 531 P C -2.454 174.829 177.300 -0.029 0.000 1.208 531 P CA -0.764 62.310 63.100 -0.043 0.000 0.777 531 P CB -0.262 31.499 31.700 0.102 0.000 0.875 532 P HA 0.004 nan 4.420 nan 0.000 0.272 532 P C -0.464 176.769 177.300 -0.112 0.000 1.223 532 P CA 0.195 63.177 63.100 -0.197 0.000 0.784 532 P CB -0.092 31.424 31.700 -0.307 0.000 0.923 533 H N -2.670 116.445 119.070 0.075 0.000 2.791 533 H HA -0.219 4.337 4.556 -0.000 0.000 0.302 533 H C 0.108 175.504 175.328 0.113 0.000 1.198 533 H CA -0.072 56.021 56.048 0.076 0.000 1.145 533 H CB -2.523 27.274 29.762 0.059 0.000 1.385 533 H HN 0.319 nan 8.280 nan 0.000 0.409 534 F N 1.962 121.913 119.950 0.001 0.000 2.595 534 F HA 0.170 4.697 4.527 -0.000 0.000 0.359 534 F C 0.547 176.351 175.800 0.006 0.000 1.147 534 F CA 0.210 58.168 58.000 -0.071 0.000 1.341 534 F CB 0.638 39.486 39.000 -0.253 0.000 1.104 534 F HN 0.297 nan 8.300 nan 0.000 0.603 535 D N 5.656 125.559 120.400 -0.829 0.000 2.336 535 D HA 0.084 4.724 4.640 -0.000 0.000 0.248 535 D C 0.186 176.090 176.300 -0.660 0.000 1.326 535 D CA -0.440 53.260 54.000 -0.499 0.000 0.973 535 D CB 0.945 41.658 40.800 -0.145 0.000 1.255 535 D HN 0.618 nan 8.370 nan 0.000 0.558 536 K N 1.062 121.079 120.400 -0.638 0.000 2.585 536 K HA -0.071 4.249 4.320 -0.000 0.000 0.194 536 K C 1.106 177.702 176.600 -0.005 0.000 1.037 536 K CA 0.395 56.493 56.287 -0.314 0.000 0.964 536 K CB -0.232 32.237 32.500 -0.052 0.000 0.787 536 K HN 0.230 nan 8.250 nan 0.000 0.488 537 S N -0.138 115.525 115.700 -0.061 0.000 2.503 537 S HA 0.070 4.540 4.470 -0.000 0.000 0.217 537 S C 0.580 175.172 174.600 -0.014 0.000 0.999 537 S CA -0.382 57.811 58.200 -0.012 0.000 0.914 537 S CB 0.091 63.271 63.200 -0.032 0.000 0.782 537 S HN 0.209 nan 8.310 nan 0.000 0.520 538 K N 1.192 121.572 120.400 -0.034 0.000 2.087 538 K HA 0.429 4.749 4.320 -0.000 0.000 0.255 538 K C -0.730 175.859 176.600 -0.017 0.000 0.988 538 K CA -0.526 55.699 56.287 -0.104 0.000 0.915 538 K CB 0.899 33.231 32.500 -0.279 0.000 1.043 538 K HN 0.091 nan 8.250 nan 0.000 0.457 539 K N 2.139 122.472 120.400 -0.113 0.000 2.240 539 K HA 0.259 4.579 4.320 -0.000 0.000 0.271 539 K C -1.159 175.377 176.600 -0.106 0.000 1.018 539 K CA -0.475 55.810 56.287 -0.002 0.000 0.874 539 K CB 0.765 33.244 32.500 -0.035 0.000 1.098 539 K HN 0.364 nan 8.250 nan 0.000 0.458 540 Y N 2.950 123.282 120.300 0.053 0.000 2.420 540 Y HA 0.275 4.825 4.550 -0.000 0.000 0.334 540 Y C -1.945 173.909 175.900 -0.077 0.000 1.094 540 Y CA -2.726 55.388 58.100 0.023 0.000 1.126 540 Y CB 0.773 39.316 38.460 0.138 0.000 1.217 540 Y HN 0.494 nan 8.280 nan 0.000 0.462 541 P HA 0.119 nan 4.420 nan 0.000 0.271 541 P C -1.055 176.157 177.300 -0.146 0.000 1.218 541 P CA -0.095 62.769 63.100 -0.394 0.000 0.780 541 P CB 1.363 32.548 31.700 -0.858 0.000 0.901 542 L N 3.052 124.203 121.223 -0.121 0.000 2.385 542 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 542 L C -1.017 176.038 176.870 0.308 0.000 0.990 542 L CA -0.917 53.984 54.840 0.102 0.000 0.821 542 L CB 1.494 43.604 42.059 0.085 0.000 1.279 542 L HN 0.255 nan 8.230 nan 0.000 0.412 543 L N 5.809 127.236 121.223 0.339 0.000 2.287 543 L HA 0.434 4.774 4.340 -0.000 0.000 0.287 543 L C -1.107 175.996 176.870 0.389 0.000 1.022 543 L CA -0.889 54.200 54.840 0.415 0.000 0.814 543 L CB 1.658 43.906 42.059 0.315 0.000 1.217 543 L HN 0.648 nan 8.230 nan 0.000 0.420 544 L N 5.395 126.894 121.223 0.460 0.000 2.268 544 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 544 L C -0.242 176.873 176.870 0.409 0.000 1.064 544 L CA 0.037 55.138 54.840 0.434 0.000 0.824 544 L CB 0.711 43.064 42.059 0.490 0.000 1.202 544 L HN 0.488 nan 8.230 nan 0.000 0.433 545 D N 4.351 124.976 120.400 0.375 0.000 2.316 545 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 545 D C -0.888 175.502 176.300 0.149 0.000 1.171 545 D CA 0.114 54.258 54.000 0.240 0.000 0.856 545 D CB 1.274 42.297 40.800 0.371 0.000 1.090 545 D HN 0.323 nan 8.370 nan 0.000 0.476 546 V N 5.449 125.374 119.914 0.019 0.000 2.715 546 V HA 0.454 4.574 4.120 -0.000 0.000 0.310 546 V C -0.905 175.283 176.094 0.157 0.000 1.054 546 V CA -0.401 61.974 62.300 0.125 0.000 0.928 546 V CB 1.732 33.626 31.823 0.118 0.000 1.007 546 V HN 0.676 nan 8.190 nan 0.000 0.437 547 Y N 4.770 125.142 120.300 0.121 0.000 3.208 547 Y HA 0.553 5.103 4.550 -0.000 0.000 0.205 547 Y C 1.535 177.572 175.900 0.228 0.000 0.923 547 Y CA 1.387 59.584 58.100 0.161 0.000 1.596 547 Y CB 0.088 38.623 38.460 0.125 0.000 1.478 547 Y HN 1.072 nan 8.280 nan 0.000 0.409 548 A N 0.747 123.664 122.820 0.161 0.000 2.979 548 A HA -0.166 4.154 4.320 -0.000 0.000 0.260 548 A C 1.054 178.468 177.584 -0.283 0.000 1.282 548 A CA 0.981 53.057 52.037 0.064 0.000 0.971 548 A CB -2.533 16.570 19.000 0.173 0.000 1.124 548 A HN 1.015 nan 8.150 nan 0.000 0.826 549 G N -0.739 107.565 108.800 -0.828 0.000 2.664 549 G HA2 0.440 4.400 3.960 -0.000 0.000 0.242 549 G HA3 0.440 4.400 3.960 -0.000 0.000 0.242 549 G C -2.128 172.472 174.900 -0.499 0.000 1.225 549 G CA -0.470 43.786 45.100 -1.407 0.000 0.849 549 G HN 0.327 nan 8.290 nan 0.000 0.581 550 P HA 0.084 nan 4.420 nan 0.000 0.264 550 P C 0.597 177.821 177.300 -0.127 0.000 1.193 550 P CA 0.044 62.927 63.100 -0.362 0.000 0.763 550 P CB 0.722 31.874 31.700 -0.913 0.000 0.810 551 C N 2.449 121.711 119.300 -0.064 0.000 4.397 551 C HA -0.146 4.314 4.460 -0.000 0.000 0.291 551 C C 0.943 175.974 174.990 0.069 0.000 1.408 551 C CA 1.144 60.081 59.018 -0.135 0.000 1.971 551 C CB -2.741 24.755 27.740 -0.406 0.000 1.258 551 C HN 0.801 nan 8.230 nan 0.000 0.795 552 S N -0.001 115.800 115.700 0.168 0.000 2.652 552 S HA 0.620 5.090 4.470 -0.000 0.000 0.270 552 S C -0.675 174.098 174.600 0.289 0.000 1.243 552 S CA 0.008 58.392 58.200 0.307 0.000 0.999 552 S CB 1.734 65.193 63.200 0.432 0.000 0.973 552 S HN 0.809 nan 8.310 nan 0.000 0.544 553 Q N 0.081 120.076 119.800 0.324 0.000 2.269 553 Q HA 0.385 4.725 4.340 -0.000 0.000 0.263 553 Q C -0.680 175.455 176.000 0.225 0.000 0.983 553 Q CA -0.640 55.340 55.803 0.295 0.000 0.777 553 Q CB 1.159 30.125 28.738 0.380 0.000 1.273 553 Q HN 0.697 nan 8.270 nan 0.000 0.440 554 K N 1.127 121.657 120.400 0.216 0.000 2.373 554 K HA 0.346 4.666 4.320 -0.000 0.000 0.200 554 K C -0.452 176.260 176.600 0.188 0.000 1.054 554 K CA 0.276 56.681 56.287 0.197 0.000 1.065 554 K CB 1.550 34.193 32.500 0.237 0.000 0.886 554 K HN 0.511 nan 8.250 nan 0.000 0.546 555 A N 2.725 125.664 122.820 0.199 0.000 2.267 555 A HA 0.473 4.793 4.320 -0.000 0.000 0.315 555 A C -0.786 176.875 177.584 0.129 0.000 1.297 555 A CA -0.504 51.649 52.037 0.193 0.000 0.865 555 A CB 0.318 19.491 19.000 0.287 0.000 1.165 555 A HN 0.238 nan 8.150 nan 0.000 0.513 556 D N -0.007 120.446 120.400 0.088 0.000 2.825 556 D HA 0.421 5.061 4.640 -0.000 0.000 0.327 556 D C 0.314 176.642 176.300 0.048 0.000 1.277 556 D CA 0.335 54.381 54.000 0.076 0.000 0.950 556 D CB 0.249 41.102 40.800 0.088 0.000 1.438 556 D HN 0.218 nan 8.370 nan 0.000 0.526 557 T N -2.452 112.152 114.554 0.084 0.000 3.176 557 T HA 0.355 4.705 4.350 -0.000 0.000 0.263 557 T C 0.691 175.380 174.700 -0.020 0.000 1.021 557 T CA 0.038 62.176 62.100 0.063 0.000 0.905 557 T CB -0.895 68.050 68.868 0.129 0.000 1.057 557 T HN 0.655 nan 8.240 nan 0.000 0.558 558 V N -0.172 119.633 119.914 -0.181 0.000 2.686 558 V HA 0.665 4.785 4.120 -0.000 0.000 0.295 558 V C -0.127 175.929 176.094 -0.064 0.000 1.057 558 V CA -1.434 60.728 62.300 -0.230 0.000 1.012 558 V CB 0.580 32.108 31.823 -0.493 0.000 1.006 558 V HN 0.324 nan 8.190 nan 0.000 0.477 559 F N 5.878 125.741 119.950 -0.145 0.000 2.445 559 F HA 0.642 5.169 4.527 -0.000 0.000 0.359 559 F C 0.533 176.282 175.800 -0.085 0.000 1.101 559 F CA -0.221 57.717 58.000 -0.104 0.000 1.177 559 F CB 0.391 39.337 39.000 -0.090 0.000 1.110 559 F HN 0.637 nan 8.300 nan 0.000 0.522 560 R N 6.570 126.683 120.500 -0.645 0.000 2.750 560 R HA 0.593 4.933 4.340 -0.000 0.000 0.281 560 R C -1.615 174.286 176.300 -0.665 0.000 0.972 560 R CA -1.120 54.703 56.100 -0.460 0.000 0.912 560 R CB 2.180 32.343 30.300 -0.228 0.000 1.187 560 R HN 0.648 nan 8.270 nan 0.000 0.464 561 L N 3.555 124.566 121.223 -0.354 0.000 2.318 561 L HA 0.447 4.787 4.340 -0.000 0.000 0.277 561 L C -0.123 176.742 176.870 -0.008 0.000 1.008 561 L CA -0.323 54.359 54.840 -0.263 0.000 0.846 561 L CB 0.776 42.791 42.059 -0.074 0.000 1.220 561 L HN 0.834 nan 8.230 nan 0.000 0.423 562 N N -0.271 118.359 118.700 -0.117 0.000 3.506 562 N HA 0.192 4.932 4.740 -0.000 0.000 0.331 562 N C 0.139 175.303 175.510 -0.577 0.000 1.631 562 N CA -0.923 51.981 53.050 -0.243 0.000 0.786 562 N CB 0.612 39.066 38.487 -0.055 0.000 2.023 562 N HN 0.332 nan 8.380 nan 0.000 0.621 563 W N 0.862 121.549 121.300 -1.022 0.000 2.338 563 W HA 0.062 4.722 4.660 -0.000 0.000 0.304 563 W C 2.336 178.791 176.519 -0.107 0.000 1.212 563 W CA 2.432 59.389 57.345 -0.646 0.000 1.264 563 W CB -0.871 28.415 29.460 -0.291 0.000 1.142 563 W HN 0.698 nan 8.180 nan 0.000 0.512 564 A N -0.536 122.273 122.820 -0.019 0.000 1.933 564 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 564 A C 1.955 179.447 177.584 -0.153 0.000 1.175 564 A CA 2.496 54.464 52.037 -0.115 0.000 0.628 564 A CB -1.311 17.698 19.000 0.016 0.000 0.814 564 A HN 0.288 nan 8.150 nan 0.000 0.444 565 T N -1.062 113.403 114.554 -0.147 0.000 2.665 565 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 565 T C 1.795 176.495 174.700 -0.000 0.000 1.035 565 T CA 1.870 63.849 62.100 -0.201 0.000 1.151 565 T CB -0.524 68.042 68.868 -0.502 0.000 0.862 565 T HN 0.677 nan 8.240 nan 0.000 0.438 566 Y N 2.043 122.392 120.300 0.083 0.000 2.114 566 Y HA -0.058 4.492 4.550 -0.000 0.000 0.284 566 Y C 2.008 177.892 175.900 -0.027 0.000 1.143 566 Y CA 1.004 59.202 58.100 0.163 0.000 1.135 566 Y CB -0.774 37.771 38.460 0.142 0.000 0.980 566 Y HN 0.124 nan 8.280 nan 0.000 0.499 567 L N 0.110 120.935 121.223 -0.663 0.000 2.079 567 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 567 L C 2.769 179.397 176.870 -0.403 0.000 1.081 567 L CA 1.280 55.656 54.840 -0.773 0.000 0.752 567 L CB -0.951 40.708 42.059 -0.668 0.000 0.896 567 L HN 0.440 nan 8.230 nan 0.000 0.433 568 A N -1.270 121.398 122.820 -0.253 0.000 1.874 568 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 568 A C 2.513 180.042 177.584 -0.091 0.000 1.189 568 A CA 1.624 53.575 52.037 -0.142 0.000 0.615 568 A CB -0.524 18.392 19.000 -0.140 0.000 0.830 568 A HN 0.318 nan 8.150 nan 0.000 0.443 569 S N -1.220 114.437 115.700 -0.071 0.000 2.371 569 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 569 S C 1.896 176.514 174.600 0.030 0.000 1.029 569 S CA 2.188 60.393 58.200 0.007 0.000 0.978 569 S CB -0.287 62.969 63.200 0.093 0.000 0.833 569 S HN 0.566 nan 8.310 nan 0.000 0.466 570 T N 0.772 115.312 114.554 -0.024 0.000 3.042 570 T HA 0.228 4.578 4.350 -0.000 0.000 0.245 570 T C 1.252 175.921 174.700 -0.053 0.000 1.029 570 T CA 0.316 62.422 62.100 0.010 0.000 1.120 570 T CB 0.001 68.941 68.868 0.120 0.000 0.917 570 T HN 0.242 nan 8.240 nan 0.000 0.467 571 E N 1.442 121.525 120.200 -0.197 0.000 2.481 571 E HA 0.188 4.538 4.350 -0.000 0.000 0.198 571 E C 0.103 176.686 176.600 -0.028 0.000 1.027 571 E CA -0.099 56.224 56.400 -0.129 0.000 0.900 571 E CB -0.025 29.525 29.700 -0.251 0.000 0.993 571 E HN 0.324 nan 8.360 nan 0.000 0.482 572 N N 0.857 119.557 118.700 -0.000 0.000 2.735 572 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 572 N C -0.422 175.196 175.510 0.180 0.000 1.083 572 N CA 0.699 53.822 53.050 0.122 0.000 0.703 572 N CB -1.465 37.117 38.487 0.158 0.000 1.005 572 N HN 0.290 nan 8.380 nan 0.000 0.550 573 I N 0.864 121.472 120.570 0.064 0.000 2.437 573 I HA 0.351 4.521 4.170 -0.000 0.000 0.298 573 I C 1.010 177.143 176.117 0.028 0.000 0.984 573 I CA -0.724 60.628 61.300 0.086 0.000 1.214 573 I CB 1.305 39.348 38.000 0.073 0.000 1.365 573 I HN -0.078 nan 8.210 nan 0.000 0.469 574 I N 5.648 126.246 120.570 0.048 0.000 2.342 574 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 574 I C -0.481 175.646 176.117 0.016 0.000 1.010 574 I CA -0.573 60.709 61.300 -0.029 0.000 1.308 574 I CB 1.265 39.246 38.000 -0.030 0.000 1.400 574 I HN 0.182 nan 8.210 nan 0.000 0.488 575 V N 6.543 126.452 119.914 -0.009 0.000 2.328 575 V HA 0.548 4.668 4.120 -0.000 0.000 0.278 575 V C 0.416 176.554 176.094 0.074 0.000 1.021 575 V CA -0.489 61.851 62.300 0.066 0.000 0.838 575 V CB 1.091 32.950 31.823 0.059 0.000 0.999 575 V HN 0.833 nan 8.190 nan 0.000 0.447 576 A N 4.108 126.997 122.820 0.115 0.000 2.312 576 A HA 0.898 5.218 4.320 -0.000 0.000 0.328 576 A C 0.027 177.778 177.584 0.279 0.000 1.158 576 A CA -0.410 51.694 52.037 0.112 0.000 0.821 576 A CB 1.265 20.198 19.000 -0.111 0.000 1.170 576 A HN 0.692 nan 8.150 nan 0.000 0.490 577 S N 0.049 115.955 115.700 0.345 0.000 2.548 577 S HA 0.734 5.204 4.470 -0.000 0.000 0.286 577 S C -1.362 173.591 174.600 0.588 0.000 1.098 577 S CA -0.306 58.143 58.200 0.415 0.000 0.930 577 S CB 1.286 64.672 63.200 0.310 0.000 1.070 577 S HN 0.721 nan 8.310 nan 0.000 0.480 578 F N 1.906 122.094 119.950 0.397 0.000 2.547 578 F HA 0.473 5.000 4.527 -0.000 0.000 0.316 578 F C -1.448 174.553 175.800 0.335 0.000 1.121 578 F CA -0.723 57.530 58.000 0.423 0.000 0.911 578 F CB 1.425 40.640 39.000 0.358 0.000 1.179 578 F HN 0.389 nan 8.300 nan 0.000 0.443 579 D N 4.762 124.980 120.400 -0.304 0.000 2.443 579 D HA 0.352 4.992 4.640 -0.000 0.000 0.221 579 D C 0.339 176.296 176.300 -0.571 0.000 1.097 579 D CA 0.115 53.986 54.000 -0.215 0.000 0.865 579 D CB 1.552 42.391 40.800 0.065 0.000 1.034 579 D HN 0.779 nan 8.370 nan 0.000 0.511 580 G N 1.424 109.999 108.800 -0.375 0.000 2.641 580 G HA2 0.296 4.256 3.960 -0.000 0.000 0.239 580 G HA3 0.296 4.256 3.960 -0.000 0.000 0.239 580 G C 0.170 175.016 174.900 -0.090 0.000 1.402 580 G CA -0.718 44.188 45.100 -0.324 0.000 1.046 580 G HN 0.296 nan 8.290 nan 0.000 0.565 581 R N -0.766 119.658 120.500 -0.127 0.000 2.640 581 R HA 0.356 4.696 4.340 -0.000 0.000 0.270 581 R C 1.278 177.642 176.300 0.106 0.000 1.024 581 R CA 1.445 57.580 56.100 0.058 0.000 1.085 581 R CB 0.433 30.746 30.300 0.022 0.000 0.963 581 R HN 1.061 nan 8.270 nan 0.000 0.426 582 G N 1.040 109.909 108.800 0.114 0.000 2.258 582 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.233 582 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.233 582 G C 0.146 175.076 174.900 0.051 0.000 1.006 582 G CA 0.188 45.346 45.100 0.096 0.000 0.620 582 G HN 0.728 nan 8.290 nan 0.000 0.511 583 S N 0.458 116.196 115.700 0.064 0.000 2.603 583 S HA 0.673 5.143 4.470 -0.000 0.000 0.268 583 S C 0.848 175.446 174.600 -0.003 0.000 1.317 583 S CA 0.471 58.707 58.200 0.060 0.000 1.012 583 S CB 1.809 65.073 63.200 0.106 0.000 0.926 583 S HN 1.654 nan 8.310 nan 0.000 0.539 584 G N -0.697 108.064 108.800 -0.066 0.000 2.531 584 G HA2 0.494 4.454 3.960 -0.000 0.000 0.313 584 G HA3 0.494 4.454 3.960 -0.000 0.000 0.313 584 G C -0.910 173.851 174.900 -0.231 0.000 1.238 584 G CA -0.997 43.899 45.100 -0.340 0.000 0.994 584 G HN 0.943 nan 8.290 nan 0.000 0.493 585 Y N -2.444 117.856 120.300 0.001 0.000 4.798 585 Y HA -0.214 4.336 4.550 -0.000 0.000 0.237 585 Y C 1.429 177.338 175.900 0.015 0.000 1.017 585 Y CA 1.112 59.220 58.100 0.014 0.000 2.010 585 Y CB -2.106 36.380 38.460 0.044 0.000 1.582 585 Y HN 0.547 nan 8.280 nan 0.000 0.621 586 Q N -0.065 119.757 119.800 0.035 0.000 2.086 586 Q HA 0.519 4.859 4.340 -0.000 0.000 0.220 586 Q C 0.941 176.839 176.000 -0.170 0.000 0.792 586 Q CA 0.232 56.065 55.803 0.051 0.000 1.062 586 Q CB 1.636 30.414 28.738 0.067 0.000 1.198 586 Q HN 0.575 nan 8.270 nan 0.000 0.466 587 G N 0.736 109.313 108.800 -0.372 0.000 2.699 587 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 587 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 587 G C -0.510 174.027 174.900 -0.605 0.000 1.301 587 G CA -0.484 44.139 45.100 -0.795 0.000 0.816 587 G HN 0.117 nan 8.290 nan 0.000 0.595 588 D N -0.183 119.828 120.400 -0.647 0.000 2.224 588 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 588 D C 2.232 178.284 176.300 -0.413 0.000 0.965 588 D CA 1.237 54.843 54.000 -0.657 0.000 0.852 588 D CB -0.006 40.435 40.800 -0.597 0.000 0.947 588 D HN 0.567 nan 8.370 nan 0.000 0.494 589 K N 0.581 120.790 120.400 -0.318 0.000 2.044 589 K HA -0.151 4.169 4.320 -0.000 0.000 0.210 589 K C 2.073 178.603 176.600 -0.117 0.000 1.049 589 K CA 1.067 57.249 56.287 -0.174 0.000 0.927 589 K CB -0.133 32.280 32.500 -0.146 0.000 0.713 589 K HN 0.105 nan 8.250 nan 0.000 0.443 590 I N 0.460 120.955 120.570 -0.125 0.000 2.193 590 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 590 I C 2.714 178.815 176.117 -0.026 0.000 1.084 590 I CA 1.098 62.392 61.300 -0.010 0.000 1.365 590 I CB -0.150 37.873 38.000 0.038 0.000 1.064 590 I HN 0.324 nan 8.210 nan 0.000 0.410 591 M N 0.006 119.514 119.600 -0.153 0.000 2.117 591 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 591 M C 1.911 178.223 176.300 0.020 0.000 1.065 591 M CA 2.014 57.238 55.300 -0.128 0.000 1.114 591 M CB -0.292 32.112 32.600 -0.327 0.000 1.361 591 M HN 0.260 nan 8.290 nan 0.000 0.408 592 H N -0.855 118.137 119.070 -0.130 0.000 2.539 592 H HA 0.216 4.772 4.556 -0.000 0.000 0.267 592 H C 1.845 177.196 175.328 0.039 0.000 0.982 592 H CA 0.149 56.125 56.048 -0.121 0.000 1.146 592 H CB 0.198 29.782 29.762 -0.296 0.000 1.382 592 H HN 0.531 nan 8.280 nan 0.000 0.577 593 A N 0.890 123.805 122.820 0.157 0.000 2.076 593 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 593 A C 1.879 179.659 177.584 0.327 0.000 1.160 593 A CA 1.261 53.385 52.037 0.145 0.000 0.653 593 A CB -0.266 18.745 19.000 0.019 0.000 0.801 593 A HN 0.309 nan 8.150 nan 0.000 0.455 594 I N -0.453 120.304 120.570 0.311 0.000 3.883 594 I HA 0.096 4.266 4.170 -0.000 0.000 0.326 594 I C 0.533 176.772 176.117 0.204 0.000 1.283 594 I CA -0.537 60.930 61.300 0.278 0.000 1.161 594 I CB -0.596 37.526 38.000 0.203 0.000 1.012 594 I HN 0.249 nan 8.210 nan 0.000 0.421 595 N N 1.895 120.752 118.700 0.262 0.000 2.357 595 N HA -0.089 4.651 4.740 -0.000 0.000 0.257 595 N C 0.452 176.016 175.510 0.090 0.000 1.250 595 N CA 0.629 53.823 53.050 0.240 0.000 0.862 595 N CB 0.108 38.696 38.487 0.169 0.000 1.066 595 N HN 0.153 nan 8.380 nan 0.000 0.468 596 R N 0.109 120.641 120.500 0.055 0.000 3.863 596 R HA -0.231 4.109 4.340 -0.000 0.000 0.313 596 R C -0.367 175.864 176.300 -0.115 0.000 1.202 596 R CA 0.653 56.746 56.100 -0.012 0.000 0.852 596 R CB -1.050 29.257 30.300 0.012 0.000 1.292 596 R HN 0.462 nan 8.270 nan 0.000 0.519 597 R N 0.638 121.046 120.500 -0.154 0.000 2.522 597 R HA 0.312 4.652 4.340 -0.000 0.000 0.314 597 R C -0.665 175.578 176.300 -0.096 0.000 1.178 597 R CA -0.214 55.623 56.100 -0.439 0.000 1.294 597 R CB 0.418 30.470 30.300 -0.414 0.000 1.345 597 R HN 0.104 nan 8.270 nan 0.000 0.710 598 L N -0.075 121.177 121.223 0.049 0.000 2.456 598 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 598 L C 1.191 178.283 176.870 0.370 0.000 1.189 598 L CA 1.083 55.967 54.840 0.073 0.000 0.846 598 L CB 0.678 42.498 42.059 -0.399 0.000 1.111 598 L HN 0.710 nan 8.230 nan 0.000 0.475 599 G N 1.495 110.548 108.800 0.422 0.000 2.160 599 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 599 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 599 G C 0.321 175.315 174.900 0.156 0.000 1.022 599 G CA 0.503 45.824 45.100 0.368 0.000 0.741 599 G HN 0.772 nan 8.290 nan 0.000 0.508 600 T N -2.045 112.556 114.554 0.078 0.000 3.409 600 T HA 0.449 4.799 4.350 -0.000 0.000 0.188 600 T C 1.775 176.441 174.700 -0.057 0.000 0.929 600 T CA 1.105 63.146 62.100 -0.099 0.000 1.184 600 T CB -0.111 68.511 68.868 -0.409 0.000 1.570 600 T HN 0.113 nan 8.240 nan 0.000 0.367 601 F N 3.151 123.136 119.950 0.058 0.000 2.171 601 F HA 0.068 4.595 4.527 -0.000 0.000 0.300 601 F C 2.614 178.441 175.800 0.045 0.000 1.090 601 F CA 1.406 59.428 58.000 0.038 0.000 1.293 601 F CB -0.503 38.516 39.000 0.032 0.000 1.013 601 F HN 0.472 nan 8.300 nan 0.000 0.486 602 E N 0.438 120.788 120.200 0.250 0.000 2.274 602 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 602 E C 1.974 178.672 176.600 0.164 0.000 0.996 602 E CA 1.093 57.614 56.400 0.202 0.000 0.840 602 E CB -0.850 28.978 29.700 0.213 0.000 0.772 602 E HN 0.304 nan 8.360 nan 0.000 0.491 603 V N 1.503 121.487 119.914 0.116 0.000 2.446 603 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 603 V C 2.235 178.355 176.094 0.043 0.000 1.039 603 V CA 1.707 64.032 62.300 0.043 0.000 1.045 603 V CB -0.448 31.354 31.823 -0.035 0.000 0.681 603 V HN 0.175 nan 8.190 nan 0.000 0.459 604 E N 0.359 120.597 120.200 0.063 0.000 2.077 604 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 604 E C 1.899 178.518 176.600 0.031 0.000 0.989 604 E CA 1.594 58.027 56.400 0.056 0.000 0.800 604 E CB -0.185 29.574 29.700 0.099 0.000 0.746 604 E HN 0.559 nan 8.360 nan 0.000 0.452 605 D N 0.405 120.840 120.400 0.059 0.000 2.144 605 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 605 D C 2.023 178.281 176.300 -0.070 0.000 0.978 605 D CA 0.771 54.780 54.000 0.015 0.000 0.833 605 D CB -0.148 40.718 40.800 0.110 0.000 0.961 605 D HN 0.069 nan 8.370 nan 0.000 0.470 606 Q N 0.144 119.982 119.800 0.064 0.000 2.124 606 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 606 Q C 2.527 178.529 176.000 0.003 0.000 0.977 606 Q CA 0.596 56.434 55.803 0.057 0.000 0.850 606 Q CB -0.164 28.657 28.738 0.137 0.000 0.901 606 Q HN 0.442 nan 8.270 nan 0.000 0.429 607 I N 0.526 121.118 120.570 0.038 0.000 2.202 607 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 607 I C 2.386 178.437 176.117 -0.109 0.000 1.091 607 I CA 1.188 62.541 61.300 0.089 0.000 1.368 607 I CB -0.225 37.829 38.000 0.090 0.000 1.058 607 I HN 0.149 nan 8.210 nan 0.000 0.410 608 E N 1.614 121.704 120.200 -0.184 0.000 2.110 608 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 608 E C 2.051 178.366 176.600 -0.475 0.000 0.988 608 E CA 1.620 57.864 56.400 -0.260 0.000 0.804 608 E CB -0.175 29.405 29.700 -0.199 0.000 0.745 608 E HN 0.406 nan 8.360 nan 0.000 0.458 609 A N 0.627 122.996 122.820 -0.752 0.000 1.933 609 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 609 A C 2.409 179.238 177.584 -1.259 0.000 1.175 609 A CA 1.996 53.267 52.037 -1.277 0.000 0.628 609 A CB -0.869 16.986 19.000 -1.909 0.000 0.814 609 A HN 0.380 nan 8.150 nan 0.000 0.444 610 A N -0.194 122.259 122.820 -0.611 0.000 1.897 610 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 610 A C 2.228 179.616 177.584 -0.327 0.000 1.181 610 A CA 1.281 53.127 52.037 -0.318 0.000 0.620 610 A CB -0.427 18.467 19.000 -0.176 0.000 0.821 610 A HN 0.541 nan 8.150 nan 0.000 0.443 611 R N -0.513 119.787 120.500 -0.332 0.000 2.083 611 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 611 R C 2.453 178.605 176.300 -0.247 0.000 1.137 611 R CA 1.719 57.666 56.100 -0.255 0.000 0.951 611 R CB -0.411 29.764 30.300 -0.209 0.000 0.851 611 R HN 0.640 nan 8.270 nan 0.000 0.434 612 Q N -0.413 119.179 119.800 -0.347 0.000 2.124 612 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 612 Q C 1.949 177.840 176.000 -0.182 0.000 0.977 612 Q CA 1.212 56.842 55.803 -0.288 0.000 0.850 612 Q CB -0.035 28.486 28.738 -0.363 0.000 0.901 612 Q HN 0.255 nan 8.270 nan 0.000 0.429 613 F N 0.551 120.349 119.950 -0.253 0.000 2.171 613 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 613 F C 2.565 178.205 175.800 -0.267 0.000 1.090 613 F CA 0.794 58.635 58.000 -0.265 0.000 1.293 613 F CB -0.954 37.918 39.000 -0.213 0.000 1.013 613 F HN -0.060 nan 8.300 nan 0.000 0.486 614 S N 0.022 115.694 115.700 -0.047 0.000 2.383 614 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 614 S C 2.081 176.600 174.600 -0.134 0.000 1.030 614 S CA 1.037 59.171 58.200 -0.110 0.000 1.002 614 S CB -0.161 62.959 63.200 -0.134 0.000 0.829 614 S HN 0.230 nan 8.310 nan 0.000 0.467 615 K N 1.140 121.463 120.400 -0.129 0.000 2.057 615 K HA 0.071 4.391 4.320 -0.000 0.000 0.207 615 K C 0.892 177.400 176.600 -0.153 0.000 1.049 615 K CA 0.581 56.797 56.287 -0.119 0.000 0.931 615 K CB -0.656 31.785 32.500 -0.097 0.000 0.714 615 K HN 0.442 nan 8.250 nan 0.000 0.440 616 M N 0.390 119.860 119.600 -0.218 0.000 2.235 616 M HA -0.053 4.427 4.480 -0.000 0.000 0.336 616 M C 1.367 177.409 176.300 -0.431 0.000 1.146 616 M CA 0.619 55.698 55.300 -0.368 0.000 1.018 616 M CB 0.289 32.493 32.600 -0.660 0.000 1.694 616 M HN 0.193 nan 8.290 nan 0.000 0.451 617 G N 2.043 110.676 108.800 -0.278 0.000 3.181 617 G HA2 0.146 4.106 3.960 -0.000 0.000 0.219 617 G HA3 0.146 4.106 3.960 -0.000 0.000 0.219 617 G C 0.446 175.347 174.900 0.002 0.000 1.182 617 G CA -0.133 44.909 45.100 -0.097 0.000 0.791 617 G HN 0.813 nan 8.290 nan 0.000 0.537 618 F N -0.268 119.739 119.950 0.094 0.000 2.688 618 F HA 0.458 4.985 4.527 -0.000 0.000 0.310 618 F C 0.046 175.973 175.800 0.212 0.000 1.098 618 F CA -1.540 56.557 58.000 0.162 0.000 1.228 618 F CB -0.267 38.865 39.000 0.219 0.000 1.042 618 F HN -0.034 nan 8.300 nan 0.000 0.557 619 V N -0.716 119.167 119.914 -0.051 0.000 2.398 619 V HA 0.435 4.555 4.120 -0.000 0.000 0.286 619 V C -0.518 175.559 176.094 -0.028 0.000 1.026 619 V CA -0.803 61.504 62.300 0.013 0.000 0.868 619 V CB 1.511 33.278 31.823 -0.093 0.000 0.982 619 V HN 0.130 nan 8.190 nan 0.000 0.443 620 D N 4.565 124.949 120.400 -0.026 0.000 2.338 620 D HA 0.065 4.705 4.640 -0.000 0.000 0.255 620 D C 1.264 177.506 176.300 -0.097 0.000 1.237 620 D CA 0.029 53.984 54.000 -0.076 0.000 0.883 620 D CB 0.979 41.713 40.800 -0.110 0.000 1.087 620 D HN 0.811 nan 8.370 nan 0.000 0.485 621 N N 3.774 122.420 118.700 -0.089 0.000 2.550 621 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 621 N C 0.637 176.094 175.510 -0.088 0.000 1.110 621 N CA 0.575 53.567 53.050 -0.097 0.000 0.912 621 N CB -0.016 38.414 38.487 -0.095 0.000 0.968 621 N HN 0.408 nan 8.380 nan 0.000 0.448 622 K N -0.082 120.271 120.400 -0.079 0.000 2.400 622 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 622 K C 0.292 176.863 176.600 -0.049 0.000 1.033 622 K CA 0.251 56.506 56.287 -0.055 0.000 1.021 622 K CB 0.448 32.919 32.500 -0.048 0.000 0.808 622 K HN 0.120 nan 8.250 nan 0.000 0.505 623 R N 1.523 121.949 120.500 -0.122 0.000 2.748 623 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 623 R C -1.000 175.161 176.300 -0.231 0.000 1.507 623 R CA -0.215 55.748 56.100 -0.227 0.000 1.666 623 R CB 0.728 30.693 30.300 -0.558 0.000 1.237 623 R HN -0.039 nan 8.270 nan 0.000 0.633 624 I N 1.567 122.174 120.570 0.062 0.000 2.362 624 I HA 0.485 4.655 4.170 -0.000 0.000 0.289 624 I C 0.357 176.775 176.117 0.502 0.000 0.994 624 I CA -0.566 60.846 61.300 0.187 0.000 1.158 624 I CB 1.418 39.394 38.000 -0.041 0.000 1.315 624 I HN 0.336 nan 8.210 nan 0.000 0.451 625 A N 7.469 130.700 122.820 0.685 0.000 2.346 625 A HA 0.919 5.239 4.320 -0.000 0.000 0.313 625 A C -0.859 177.076 177.584 0.584 0.000 1.140 625 A CA -0.651 51.752 52.037 0.610 0.000 0.826 625 A CB 2.383 21.618 19.000 0.391 0.000 1.332 625 A HN 0.721 nan 8.150 nan 0.000 0.457 626 I N 0.555 121.383 120.570 0.430 0.000 2.722 626 I HA 0.698 4.868 4.170 -0.000 0.000 0.295 626 I C -1.963 174.406 176.117 0.420 0.000 1.161 626 I CA -0.587 60.903 61.300 0.317 0.000 1.032 626 I CB 1.760 39.670 38.000 -0.150 0.000 1.244 626 I HN 0.954 nan 8.210 nan 0.000 0.421 627 W N 6.744 128.162 121.300 0.196 0.000 3.146 627 W HA 0.816 5.476 4.660 -0.000 0.000 0.319 627 W C -1.489 175.171 176.519 0.236 0.000 1.258 627 W CA -0.871 56.597 57.345 0.205 0.000 1.189 627 W CB 0.862 30.486 29.460 0.274 0.000 1.412 627 W HN 0.843 nan 8.180 nan 0.000 0.567 628 G N 0.401 109.065 108.800 -0.227 0.000 2.523 628 G HA2 0.430 4.390 3.960 -0.000 0.000 0.291 628 G HA3 0.430 4.390 3.960 -0.000 0.000 0.291 628 G C -2.742 172.099 174.900 -0.098 0.000 1.450 628 G CA -0.823 43.986 45.100 -0.485 0.000 0.790 628 G HN 0.611 nan 8.290 nan 0.000 0.496 629 W N 0.931 122.126 121.300 -0.175 0.000 2.573 629 W HA 0.566 5.226 4.660 -0.000 0.000 0.326 629 W C 0.942 177.537 176.519 0.126 0.000 1.049 629 W CA 0.564 57.905 57.345 -0.006 0.000 1.220 629 W CB 1.815 31.281 29.460 0.010 0.000 1.373 629 W HN 1.256 nan 8.180 nan 0.000 0.507 630 S N 3.027 118.979 115.700 0.420 0.000 4.151 630 S HA -0.435 4.035 4.470 -0.000 0.000 0.603 630 S C 1.179 175.881 174.600 0.170 0.000 1.878 630 S CA 1.949 60.375 58.200 0.377 0.000 4.246 630 S CB -1.858 61.705 63.200 0.604 0.000 0.211 630 S HN 0.699 nan 8.310 nan 0.000 0.469 631 Y N 2.582 122.900 120.300 0.030 0.000 2.224 631 Y HA 0.100 4.650 4.550 -0.000 0.000 0.289 631 Y C 2.446 178.287 175.900 -0.097 0.000 1.146 631 Y CA 2.495 60.517 58.100 -0.130 0.000 1.182 631 Y CB -1.047 37.130 38.460 -0.473 0.000 0.983 631 Y HN 0.532 nan 8.280 nan 0.000 0.524 632 G N -1.009 107.852 108.800 0.103 0.000 2.448 632 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 632 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 632 G C 1.861 176.796 174.900 0.059 0.000 1.127 632 G CA 0.765 45.930 45.100 0.108 0.000 0.766 632 G HN 0.570 nan 8.290 nan 0.000 0.552 633 G N -0.474 108.368 108.800 0.071 0.000 2.430 633 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 633 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 633 G C 1.517 176.437 174.900 0.034 0.000 1.146 633 G CA 0.892 46.011 45.100 0.032 0.000 0.793 633 G HN 0.386 nan 8.290 nan 0.000 0.537 634 Y N 1.668 121.871 120.300 -0.160 0.000 2.089 634 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 634 Y C 2.774 178.578 175.900 -0.160 0.000 1.139 634 Y CA 1.758 59.711 58.100 -0.244 0.000 1.123 634 Y CB -0.620 37.547 38.460 -0.489 0.000 0.980 634 Y HN 0.015 nan 8.280 nan 0.000 0.493 635 V N -0.082 119.695 119.914 -0.229 0.000 2.282 635 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 635 V C 2.342 178.324 176.094 -0.187 0.000 1.057 635 V CA 2.537 64.695 62.300 -0.237 0.000 1.032 635 V CB -1.367 30.460 31.823 0.006 0.000 0.645 635 V HN 0.526 nan 8.190 nan 0.000 0.447 636 T N -0.161 114.340 114.554 -0.088 0.000 2.699 636 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 636 T C 2.114 176.777 174.700 -0.061 0.000 1.036 636 T CA 2.024 64.087 62.100 -0.060 0.000 1.147 636 T CB -0.273 68.629 68.868 0.058 0.000 0.862 636 T HN 0.538 nan 8.240 nan 0.000 0.446 637 S N 0.830 116.521 115.700 -0.015 0.000 2.371 637 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 637 S C 2.124 176.653 174.600 -0.119 0.000 1.029 637 S CA 0.802 59.038 58.200 0.060 0.000 0.978 637 S CB -0.218 63.056 63.200 0.123 0.000 0.833 637 S HN 0.333 nan 8.310 nan 0.000 0.466 638 M N 0.953 120.388 119.600 -0.275 0.000 2.175 638 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 638 M C 2.196 178.332 176.300 -0.273 0.000 1.063 638 M CA 1.018 56.131 55.300 -0.313 0.000 1.119 638 M CB -1.382 30.928 32.600 -0.483 0.000 1.377 638 M HN 0.168 nan 8.290 nan 0.000 0.415 639 V N 0.818 120.568 119.914 -0.273 0.000 2.295 639 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 639 V C 2.525 178.426 176.094 -0.321 0.000 1.049 639 V CA 1.448 63.587 62.300 -0.269 0.000 1.024 639 V CB -0.638 30.966 31.823 -0.366 0.000 0.648 639 V HN 0.408 nan 8.190 nan 0.000 0.447 640 L N 0.335 121.308 121.223 -0.417 0.000 2.191 640 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 640 L C 2.151 178.478 176.870 -0.905 0.000 1.103 640 L CA 1.453 55.963 54.840 -0.550 0.000 0.769 640 L CB -0.696 41.044 42.059 -0.531 0.000 0.908 640 L HN 0.497 nan 8.230 nan 0.000 0.438 641 G N -1.468 106.788 108.800 -0.906 0.000 3.284 641 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.236 641 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.236 641 G C 1.402 176.111 174.900 -0.320 0.000 1.158 641 G CA 0.553 45.193 45.100 -0.766 0.000 0.774 641 G HN 0.420 nan 8.290 nan 0.000 0.545 642 S N -0.990 114.558 115.700 -0.252 0.000 2.501 642 S HA 0.323 4.793 4.470 -0.000 0.000 0.220 642 S C 1.953 176.499 174.600 -0.091 0.000 0.997 642 S CA 1.034 59.155 58.200 -0.132 0.000 0.919 642 S CB 0.029 63.173 63.200 -0.092 0.000 0.778 642 S HN 1.321 nan 8.310 nan 0.000 0.523 643 G N 1.557 110.294 108.800 -0.106 0.000 2.159 643 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.256 643 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.256 643 G C 1.059 175.944 174.900 -0.025 0.000 0.977 643 G CA 0.993 46.056 45.100 -0.061 0.000 0.652 643 G HN 1.314 nan 8.290 nan 0.000 0.531 644 S N -0.179 115.518 115.700 -0.005 0.000 2.419 644 S HA 0.211 4.681 4.470 -0.000 0.000 0.235 644 S C 2.694 177.295 174.600 0.001 0.000 1.019 644 S CA 1.905 60.112 58.200 0.012 0.000 0.982 644 S CB -0.492 62.745 63.200 0.062 0.000 0.789 644 S HN 2.488 nan 8.310 nan 0.000 0.490 645 G N -0.296 108.514 108.800 0.016 0.000 2.184 645 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 645 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 645 G C 0.755 175.639 174.900 -0.025 0.000 0.975 645 G CA 0.445 45.547 45.100 0.002 0.000 0.642 645 G HN 0.796 nan 8.290 nan 0.000 0.536 646 V N -0.691 119.190 119.914 -0.055 0.000 2.719 646 V HA 0.276 4.396 4.120 -0.000 0.000 0.252 646 V C 1.053 176.900 176.094 -0.412 0.000 1.065 646 V CA 1.392 63.519 62.300 -0.288 0.000 1.086 646 V CB -0.358 31.173 31.823 -0.487 0.000 0.700 646 V HN 0.316 nan 8.190 nan 0.000 0.467 647 F N -0.418 119.546 119.950 0.023 0.000 2.469 647 F HA 0.421 4.948 4.527 -0.000 0.000 0.332 647 F C 1.026 176.875 175.800 0.082 0.000 1.103 647 F CA -0.706 57.336 58.000 0.070 0.000 0.979 647 F CB 1.723 40.769 39.000 0.076 0.000 1.137 647 F HN -0.300 nan 8.300 nan 0.000 0.463 648 K N 1.502 122.078 120.400 0.293 0.000 2.098 648 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 648 K C -0.115 176.628 176.600 0.238 0.000 1.051 648 K CA 1.010 57.432 56.287 0.225 0.000 0.957 648 K CB 0.246 32.882 32.500 0.228 0.000 0.738 648 K HN 0.784 nan 8.250 nan 0.000 0.447 649 c N -2.652 116.130 118.600 0.303 0.000 3.311 649 c HA 0.868 5.438 4.570 -0.000 0.000 0.325 649 c C -0.268 174.054 174.090 0.386 0.000 1.352 649 c CA -0.679 55.842 56.329 0.320 0.000 1.308 649 c CB 1.098 43.718 42.510 0.182 0.000 1.619 649 c HN 0.347 nan 8.230 nan 0.000 0.469 650 G N 0.128 109.215 108.800 0.478 0.000 2.704 650 G HA2 0.751 4.711 3.960 -0.000 0.000 0.293 650 G HA3 0.751 4.711 3.960 -0.000 0.000 0.293 650 G C -1.914 173.208 174.900 0.371 0.000 1.421 650 G CA -0.742 44.606 45.100 0.414 0.000 0.870 650 G HN 1.000 nan 8.290 nan 0.000 0.492 651 I N 0.946 121.693 120.570 0.296 0.000 2.447 651 I HA 0.575 4.745 4.170 -0.000 0.000 0.287 651 I C 0.163 176.365 176.117 0.142 0.000 1.023 651 I CA -0.914 60.434 61.300 0.080 0.000 1.083 651 I CB 2.118 40.165 38.000 0.079 0.000 1.245 651 I HN 0.611 nan 8.210 nan 0.000 0.434 652 A N 6.700 129.487 122.820 -0.055 0.000 2.287 652 A HA 0.774 5.094 4.320 -0.000 0.000 0.317 652 A C -0.692 176.773 177.584 -0.198 0.000 1.220 652 A CA -0.489 51.527 52.037 -0.035 0.000 0.835 652 A CB 1.095 20.126 19.000 0.052 0.000 1.180 652 A HN 0.448 nan 8.150 nan 0.000 0.500 653 V N 2.103 121.855 119.914 -0.270 0.000 2.384 653 V HA 0.585 4.705 4.120 -0.000 0.000 0.287 653 V C 0.840 176.518 176.094 -0.694 0.000 1.020 653 V CA 0.339 62.265 62.300 -0.624 0.000 0.850 653 V CB 0.789 31.930 31.823 -1.137 0.000 0.987 653 V HN 2.129 nan 8.190 nan 0.000 0.436 654 A N 5.628 128.030 122.820 -0.696 0.000 2.519 654 A HA -0.091 4.229 4.320 -0.000 0.000 0.297 654 A C -1.982 175.433 177.584 -0.281 0.000 1.472 654 A CA 0.284 51.831 52.037 -0.816 0.000 0.739 654 A CB -1.551 17.064 19.000 -0.641 0.000 1.096 654 A HN 0.596 nan 8.150 nan 0.000 0.414 655 P HA 0.438 nan 4.420 nan 0.000 0.284 655 P C 0.271 177.534 177.300 -0.061 0.000 1.253 655 P CA -0.175 62.893 63.100 -0.054 0.000 0.800 655 P CB 1.378 33.067 31.700 -0.019 0.000 0.961 656 V N 2.729 122.517 119.914 -0.211 0.000 2.843 656 V HA 0.060 4.180 4.120 -0.000 0.000 0.305 656 V C 1.702 177.596 176.094 -0.333 0.000 1.065 656 V CA 1.179 63.217 62.300 -0.436 0.000 1.116 656 V CB 0.609 31.816 31.823 -1.027 0.000 0.968 656 V HN 0.853 nan 8.190 nan 0.000 0.487 657 S N 3.127 118.642 115.700 -0.310 0.000 2.631 657 S HA 0.318 4.788 4.470 -0.000 0.000 0.246 657 S C 0.476 174.899 174.600 -0.294 0.000 1.068 657 S CA -0.414 57.690 58.200 -0.160 0.000 0.995 657 S CB 0.413 63.585 63.200 -0.046 0.000 0.944 657 S HN 0.673 nan 8.310 nan 0.000 0.529 658 R N -0.756 119.435 120.500 -0.513 0.000 2.515 658 R HA 0.359 4.699 4.340 -0.000 0.000 0.278 658 R C -1.215 174.738 176.300 -0.578 0.000 1.107 658 R CA -0.618 55.129 56.100 -0.588 0.000 0.945 658 R CB 0.711 30.496 30.300 -0.857 0.000 1.219 658 R HN 0.284 nan 8.270 nan 0.000 0.434 659 W N 1.877 123.077 121.300 -0.167 0.000 2.519 659 W HA 0.030 4.690 4.660 -0.000 0.000 0.266 659 W C 1.297 177.944 176.519 0.215 0.000 1.253 659 W CA 0.332 57.662 57.345 -0.024 0.000 1.274 659 W CB 0.456 29.796 29.460 -0.200 0.000 1.114 659 W HN 0.702 nan 8.180 nan 0.000 0.596 660 E N -0.794 119.593 120.200 0.312 0.000 2.333 660 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 660 E C 1.406 178.177 176.600 0.285 0.000 1.007 660 E CA 0.958 57.498 56.400 0.234 0.000 0.845 660 E CB -0.204 29.529 29.700 0.054 0.000 0.766 660 E HN 0.344 nan 8.360 nan 0.000 0.507 661 Y N -1.380 119.020 120.300 0.166 0.000 2.475 661 Y HA 0.009 4.559 4.550 -0.000 0.000 0.289 661 Y C 0.906 176.932 175.900 0.210 0.000 1.121 661 Y CA -0.101 58.080 58.100 0.134 0.000 1.257 661 Y CB -0.539 37.944 38.460 0.039 0.000 1.026 661 Y HN 0.029 nan 8.280 nan 0.000 0.555 662 Y N 1.863 122.325 120.300 0.269 0.000 2.340 662 Y HA 0.272 4.822 4.550 -0.000 0.000 0.327 662 Y C 0.313 176.417 175.900 0.339 0.000 1.321 662 Y CA -1.947 56.312 58.100 0.265 0.000 1.433 662 Y CB 0.276 38.898 38.460 0.271 0.000 1.373 662 Y HN 0.176 nan 8.280 nan 0.000 0.538 663 D N -0.821 119.249 120.400 -0.549 0.000 2.344 663 D HA 0.137 4.777 4.640 -0.000 0.000 0.244 663 D C 0.891 177.144 176.300 -0.078 0.000 1.134 663 D CA 0.228 53.986 54.000 -0.403 0.000 0.930 663 D CB 1.036 41.372 40.800 -0.773 0.000 1.175 663 D HN 0.463 nan 8.370 nan 0.000 0.437 664 S N 0.974 116.638 115.700 -0.060 0.000 2.356 664 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 664 S C 1.888 176.509 174.600 0.034 0.000 1.032 664 S CA 1.113 59.342 58.200 0.047 0.000 1.005 664 S CB -0.927 62.303 63.200 0.051 0.000 0.867 664 S HN 0.412 nan 8.310 nan 0.000 0.449 665 V N 0.570 120.443 119.914 -0.068 0.000 2.427 665 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 665 V C 2.273 178.293 176.094 -0.123 0.000 1.051 665 V CA 2.015 64.198 62.300 -0.194 0.000 1.048 665 V CB -0.993 30.560 31.823 -0.451 0.000 0.666 665 V HN 0.632 nan 8.190 nan 0.000 0.456 666 Y N 1.122 121.375 120.300 -0.079 0.000 2.206 666 Y HA -0.155 4.395 4.550 -0.000 0.000 0.292 666 Y C 2.653 178.589 175.900 0.060 0.000 1.123 666 Y CA 2.099 60.232 58.100 0.054 0.000 1.142 666 Y CB -0.344 38.327 38.460 0.352 0.000 1.006 666 Y HN 0.190 nan 8.280 nan 0.000 0.518 667 T N 0.361 115.125 114.554 0.350 0.000 2.737 667 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 667 T C 1.522 176.216 174.700 -0.010 0.000 1.038 667 T CA 1.833 64.085 62.100 0.252 0.000 1.144 667 T CB -0.238 68.916 68.868 0.477 0.000 0.866 667 T HN 0.416 nan 8.240 nan 0.000 0.434 668 E N 0.683 120.899 120.200 0.027 0.000 2.204 668 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 668 E C 2.307 178.809 176.600 -0.163 0.000 0.989 668 E CA 0.466 56.875 56.400 0.016 0.000 0.824 668 E CB -0.103 29.642 29.700 0.075 0.000 0.756 668 E HN 0.315 nan 8.360 nan 0.000 0.477 669 R N 0.114 120.371 120.500 -0.405 0.000 2.105 669 R HA -0.199 4.141 4.340 -0.000 0.000 0.239 669 R C 1.284 177.073 176.300 -0.851 0.000 1.135 669 R CA 1.631 57.305 56.100 -0.709 0.000 0.967 669 R CB -0.022 29.556 30.300 -1.202 0.000 0.861 669 R HN 0.236 nan 8.270 nan 0.000 0.442 670 Y N -2.291 117.712 120.300 -0.495 0.000 2.522 670 Y HA 0.212 4.762 4.550 -0.000 0.000 0.277 670 Y C 1.704 177.445 175.900 -0.265 0.000 1.104 670 Y CA 0.074 57.886 58.100 -0.480 0.000 1.260 670 Y CB 0.371 38.426 38.460 -0.675 0.000 1.151 670 Y HN -0.038 nan 8.280 nan 0.000 0.539 671 M N -0.235 119.285 119.600 -0.134 0.000 2.333 671 M HA 0.353 4.833 4.480 -0.000 0.000 0.257 671 M C 1.073 177.423 176.300 0.082 0.000 1.078 671 M CA 0.662 55.883 55.300 -0.131 0.000 1.005 671 M CB -0.475 31.834 32.600 -0.485 0.000 1.444 671 M HN 0.359 nan 8.290 nan 0.000 0.496 672 G N 1.885 110.733 108.800 0.080 0.000 2.601 672 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.261 672 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.261 672 G C -0.381 174.659 174.900 0.234 0.000 1.289 672 G CA -0.621 44.557 45.100 0.130 0.000 0.920 672 G HN 0.376 nan 8.290 nan 0.000 0.571 673 L N 1.940 123.257 121.223 0.156 0.000 2.357 673 L HA 0.425 4.765 4.340 -0.000 0.000 0.273 673 L C -1.389 175.441 176.870 -0.067 0.000 1.080 673 L CA -1.784 53.092 54.840 0.061 0.000 0.803 673 L CB 1.947 44.013 42.059 0.012 0.000 1.174 673 L HN 0.443 nan 8.230 nan 0.000 0.443 674 P HA 0.052 nan 4.420 nan 0.000 0.226 674 P C -0.358 176.770 177.300 -0.287 0.000 1.758 674 P CA -0.090 62.547 63.100 -0.770 0.000 0.896 674 P CB -0.524 30.483 31.700 -1.156 0.000 1.784 675 T N -3.746 110.729 114.554 -0.130 0.000 2.940 675 T HA 0.470 4.820 4.350 -0.000 0.000 0.288 675 T C -2.175 172.513 174.700 -0.020 0.000 1.033 675 T CA -2.470 59.592 62.100 -0.063 0.000 1.033 675 T CB 1.724 70.569 68.868 -0.038 0.000 1.079 675 T HN -0.298 nan 8.240 nan 0.000 0.496 676 P HA -0.039 nan 4.420 nan 0.000 0.219 676 P C 0.851 178.160 177.300 0.015 0.000 1.146 676 P CA 0.942 64.046 63.100 0.008 0.000 0.808 676 P CB 0.041 31.744 31.700 0.004 0.000 0.779 677 E N -1.289 118.916 120.200 0.009 0.000 2.285 677 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 677 E C 1.442 178.056 176.600 0.022 0.000 0.997 677 E CA 0.821 57.228 56.400 0.012 0.000 0.845 677 E CB -0.437 29.266 29.700 0.005 0.000 0.782 677 E HN 0.290 nan 8.360 nan 0.000 0.491 678 D N -0.292 120.125 120.400 0.029 0.000 2.838 678 D HA 0.090 4.730 4.640 -0.000 0.000 0.245 678 D C 0.322 176.671 176.300 0.081 0.000 1.424 678 D CA 0.182 54.212 54.000 0.050 0.000 1.214 678 D CB 0.018 40.849 40.800 0.052 0.000 0.937 678 D HN 0.032 nan 8.370 nan 0.000 0.232 679 N N 0.591 119.368 118.700 0.127 0.000 2.305 679 N HA 0.028 4.768 4.740 -0.000 0.000 0.248 679 N C 1.534 177.221 175.510 0.295 0.000 1.290 679 N CA -0.158 53.015 53.050 0.205 0.000 0.873 679 N CB 0.827 39.462 38.487 0.247 0.000 1.261 679 N HN 0.096 nan 8.380 nan 0.000 0.504 680 L N 1.063 122.379 121.223 0.156 0.000 2.051 680 L HA -0.207 4.133 4.340 -0.000 0.000 0.214 680 L C 1.040 178.017 176.870 0.178 0.000 1.076 680 L CA 2.105 57.008 54.840 0.105 0.000 0.758 680 L CB -0.647 41.422 42.059 0.016 0.000 0.890 680 L HN 0.289 nan 8.230 nan 0.000 0.433 681 D N -1.530 118.961 120.400 0.152 0.000 2.178 681 D HA -0.214 4.426 4.640 -0.000 0.000 0.202 681 D C 2.036 178.433 176.300 0.161 0.000 0.974 681 D CA 1.088 55.166 54.000 0.130 0.000 0.841 681 D CB -0.133 40.729 40.800 0.104 0.000 0.953 681 D HN 0.590 nan 8.370 nan 0.000 0.478 682 H N -0.820 118.320 119.070 0.116 0.000 2.482 682 H HA -0.066 4.490 4.556 -0.000 0.000 0.286 682 H C 1.660 177.051 175.328 0.105 0.000 1.017 682 H CA 0.467 56.561 56.048 0.075 0.000 1.322 682 H CB 0.251 30.022 29.762 0.014 0.000 1.426 682 H HN 0.149 nan 8.280 nan 0.000 0.546 683 Y N 1.214 121.512 120.300 -0.003 0.000 2.081 683 Y HA -0.245 4.304 4.550 -0.000 0.000 0.280 683 Y C 2.783 178.654 175.900 -0.047 0.000 1.163 683 Y CA 1.888 59.992 58.100 0.007 0.000 1.135 683 Y CB -0.067 38.422 38.460 0.049 0.000 0.970 683 Y HN 0.068 nan 8.280 nan 0.000 0.498 684 R N -0.346 120.233 120.500 0.131 0.000 2.235 684 R HA -0.090 4.249 4.340 -0.000 0.000 0.213 684 R C 1.546 177.838 176.300 -0.012 0.000 1.059 684 R CA 1.092 57.219 56.100 0.045 0.000 0.997 684 R CB -0.274 30.053 30.300 0.044 0.000 0.884 684 R HN 0.277 nan 8.270 nan 0.000 0.462 685 N N -0.959 117.703 118.700 -0.063 0.000 2.353 685 N HA -0.030 4.710 4.740 -0.000 0.000 0.185 685 N C -0.131 175.294 175.510 -0.142 0.000 1.098 685 N CA 0.464 53.466 53.050 -0.080 0.000 0.872 685 N CB 0.545 39.017 38.487 -0.024 0.000 0.970 685 N HN 0.074 nan 8.380 nan 0.000 0.467 686 S N -1.363 114.223 115.700 -0.190 0.000 2.651 686 S HA 0.138 4.608 4.470 -0.000 0.000 0.246 686 S C 0.268 174.911 174.600 0.071 0.000 1.039 686 S CA -0.752 57.392 58.200 -0.095 0.000 1.013 686 S CB -0.480 62.590 63.200 -0.217 0.000 0.861 686 S HN 0.173 nan 8.310 nan 0.000 0.485 687 T N -1.320 113.233 114.554 -0.001 0.000 2.913 687 T HA 0.508 4.858 4.350 -0.000 0.000 0.287 687 T C 1.380 176.074 174.700 -0.009 0.000 1.008 687 T CA -0.604 61.484 62.100 -0.019 0.000 1.067 687 T CB 1.301 70.127 68.868 -0.070 0.000 0.996 687 T HN -0.035 nan 8.240 nan 0.000 0.513 688 V N 1.971 121.877 119.914 -0.013 0.000 2.427 688 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 688 V C 2.623 178.694 176.094 -0.038 0.000 1.051 688 V CA 1.662 63.945 62.300 -0.028 0.000 1.048 688 V CB -1.000 30.799 31.823 -0.040 0.000 0.666 688 V HN 0.815 nan 8.190 nan 0.000 0.456 689 M N 1.244 120.808 119.600 -0.061 0.000 2.149 689 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 689 M C 2.340 178.617 176.300 -0.039 0.000 1.064 689 M CA 2.107 57.366 55.300 -0.069 0.000 1.102 689 M CB -0.966 31.601 32.600 -0.054 0.000 1.369 689 M HN 0.533 nan 8.290 nan 0.000 0.408 690 S N -0.300 115.385 115.700 -0.024 0.000 2.537 690 S HA -0.081 4.389 4.470 -0.000 0.000 0.240 690 S C 1.673 176.275 174.600 0.004 0.000 0.981 690 S CA 0.732 58.925 58.200 -0.011 0.000 0.948 690 S CB -0.426 62.766 63.200 -0.013 0.000 0.759 690 S HN 0.553 nan 8.310 nan 0.000 0.531 691 R N -0.048 120.466 120.500 0.023 0.000 2.472 691 R HA 0.465 4.805 4.340 -0.000 0.000 0.279 691 R C 2.103 178.494 176.300 0.152 0.000 0.953 691 R CA 0.416 56.550 56.100 0.057 0.000 1.088 691 R CB -0.079 30.245 30.300 0.039 0.000 1.197 691 R HN 0.427 nan 8.270 nan 0.000 0.536 692 A N 1.952 124.823 122.820 0.085 0.000 1.915 692 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 692 A C 1.863 179.531 177.584 0.141 0.000 1.198 692 A CA 1.544 53.612 52.037 0.053 0.000 0.647 692 A CB -0.211 18.755 19.000 -0.057 0.000 0.825 692 A HN 0.218 nan 8.150 nan 0.000 0.456 693 E N 0.039 120.291 120.200 0.086 0.000 2.097 693 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 693 E C 1.480 178.130 176.600 0.085 0.000 1.000 693 E CA 1.297 57.741 56.400 0.072 0.000 0.804 693 E CB -0.425 29.300 29.700 0.041 0.000 0.740 693 E HN 0.627 nan 8.360 nan 0.000 0.454 694 N N 0.053 118.793 118.700 0.066 0.000 2.512 694 N HA -0.072 4.668 4.740 -0.000 0.000 0.183 694 N C 1.358 176.844 175.510 -0.040 0.000 1.073 694 N CA 0.353 53.396 53.050 -0.012 0.000 0.911 694 N CB -0.272 38.162 38.487 -0.088 0.000 0.964 694 N HN 0.139 nan 8.380 nan 0.000 0.447 695 F N 1.844 121.748 119.950 -0.076 0.000 2.604 695 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 695 F C 1.931 177.729 175.800 -0.003 0.000 1.131 695 F CA 0.656 58.602 58.000 -0.090 0.000 1.457 695 F CB 0.066 38.955 39.000 -0.186 0.000 1.095 695 F HN 0.105 nan 8.300 nan 0.000 0.574 696 K N -0.160 120.341 120.400 0.168 0.000 2.555 696 K HA -0.101 4.219 4.320 -0.000 0.000 0.193 696 K C 1.108 177.770 176.600 0.104 0.000 1.032 696 K CA 0.852 57.222 56.287 0.139 0.000 1.004 696 K CB -0.373 32.191 32.500 0.106 0.000 0.804 696 K HN 0.343 nan 8.250 nan 0.000 0.496 697 Q N 1.179 121.021 119.800 0.070 0.000 2.392 697 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 697 Q C 0.349 176.393 176.000 0.073 0.000 0.917 697 Q CA 0.062 55.896 55.803 0.052 0.000 0.939 697 Q CB 0.788 29.535 28.738 0.015 0.000 1.063 697 Q HN 0.333 nan 8.270 nan 0.000 0.516 698 V N -3.403 116.575 119.914 0.107 0.000 3.130 698 V HA 0.459 4.579 4.120 -0.000 0.000 0.310 698 V C -1.166 175.078 176.094 0.250 0.000 1.158 698 V CA -1.366 61.026 62.300 0.154 0.000 1.029 698 V CB 2.239 34.130 31.823 0.113 0.000 1.057 698 V HN -0.044 nan 8.190 nan 0.000 0.436 699 E N 1.533 121.903 120.200 0.283 0.000 2.229 699 E HA 0.433 4.783 4.350 -0.000 0.000 0.283 699 E C -1.776 175.200 176.600 0.627 0.000 1.030 699 E CA -0.256 56.379 56.400 0.392 0.000 0.836 699 E CB 1.472 31.316 29.700 0.239 0.000 1.068 699 E HN 0.686 nan 8.360 nan 0.000 0.401 700 Y N 3.607 124.185 120.300 0.464 0.000 2.361 700 Y HA 0.382 4.932 4.550 -0.000 0.000 0.337 700 Y C -1.629 174.388 175.900 0.195 0.000 0.965 700 Y CA -1.410 56.908 58.100 0.363 0.000 1.091 700 Y CB 0.945 39.627 38.460 0.371 0.000 1.182 700 Y HN 0.421 nan 8.280 nan 0.000 0.450 701 L N 7.812 128.769 121.223 -0.444 0.000 2.287 701 L HA 0.611 4.951 4.340 -0.000 0.000 0.287 701 L C -1.983 174.431 176.870 -0.761 0.000 1.022 701 L CA -0.752 53.671 54.840 -0.695 0.000 0.814 701 L CB 1.201 42.517 42.059 -1.238 0.000 1.217 701 L HN 0.670 nan 8.230 nan 0.000 0.420 702 L N 6.773 127.664 121.223 -0.554 0.000 2.325 702 L HA 0.692 5.032 4.340 -0.000 0.000 0.281 702 L C -1.174 175.565 176.870 -0.219 0.000 1.004 702 L CA 0.016 54.571 54.840 -0.475 0.000 0.823 702 L CB 1.163 42.991 42.059 -0.385 0.000 1.236 702 L HN 0.601 nan 8.230 nan 0.000 0.415 703 I N 4.448 124.891 120.570 -0.212 0.000 2.608 703 I HA 0.502 4.672 4.170 -0.000 0.000 0.295 703 I C -1.122 174.953 176.117 -0.070 0.000 1.049 703 I CA -0.646 60.587 61.300 -0.112 0.000 1.063 703 I CB 2.104 40.003 38.000 -0.169 0.000 1.248 703 I HN 0.687 nan 8.210 nan 0.000 0.424 704 H N 2.067 121.172 119.070 0.057 0.000 3.085 704 H HA 0.502 5.058 4.556 -0.000 0.000 0.356 704 H C -0.430 175.123 175.328 0.375 0.000 1.178 704 H CA -0.639 55.486 56.048 0.129 0.000 1.214 704 H CB 1.945 31.701 29.762 -0.009 0.000 1.881 704 H HN 0.736 nan 8.280 nan 0.000 0.538 705 G N 0.710 109.874 108.800 0.608 0.000 2.415 705 G HA2 0.240 4.200 3.960 -0.000 0.000 0.269 705 G HA3 0.240 4.200 3.960 -0.000 0.000 0.269 705 G C 1.073 176.275 174.900 0.504 0.000 1.209 705 G CA 0.130 45.540 45.100 0.517 0.000 0.835 705 G HN 0.737 nan 8.290 nan 0.000 0.534 706 T N -0.811 113.893 114.554 0.249 0.000 3.023 706 T HA 0.124 4.474 4.350 -0.000 0.000 0.266 706 T C 1.723 176.406 174.700 -0.029 0.000 1.093 706 T CA 1.131 63.197 62.100 -0.057 0.000 1.129 706 T CB 0.213 68.976 68.868 -0.175 0.000 0.899 706 T HN 0.654 nan 8.240 nan 0.000 0.491 707 A N 1.185 124.063 122.820 0.095 0.000 2.684 707 A HA 0.305 4.625 4.320 -0.000 0.000 0.288 707 A C 0.416 177.969 177.584 -0.051 0.000 1.337 707 A CA -0.489 51.569 52.037 0.036 0.000 0.946 707 A CB -0.389 18.880 19.000 0.448 0.000 1.093 707 A HN 0.343 nan 8.150 nan 0.000 0.543 708 D N 1.542 121.937 120.400 -0.009 0.000 2.359 708 D HA -0.002 4.638 4.640 -0.000 0.000 0.250 708 D C 0.528 176.829 176.300 0.001 0.000 1.264 708 D CA 0.046 54.144 54.000 0.164 0.000 0.911 708 D CB 0.601 41.655 40.800 0.423 0.000 1.056 708 D HN 0.571 nan 8.370 nan 0.000 0.499 709 D N 2.231 122.677 120.400 0.077 0.000 2.347 709 D HA -0.152 4.488 4.640 -0.000 0.000 0.215 709 D C 0.938 177.203 176.300 -0.058 0.000 0.976 709 D CA 0.085 54.074 54.000 -0.017 0.000 0.884 709 D CB 0.453 41.218 40.800 -0.057 0.000 0.915 709 D HN 0.235 nan 8.370 nan 0.000 0.526 710 N N 0.676 119.459 118.700 0.139 0.000 2.523 710 N HA -0.056 4.684 4.740 -0.000 0.000 0.209 710 N C -0.138 175.395 175.510 0.038 0.000 1.039 710 N CA 0.531 53.726 53.050 0.241 0.000 1.002 710 N CB 0.388 39.047 38.487 0.288 0.000 1.270 710 N HN -0.106 nan 8.380 nan 0.000 0.481 711 V N 2.940 122.922 119.914 0.114 0.000 2.304 711 V HA 0.257 4.377 4.120 -0.000 0.000 0.269 711 V C -0.568 175.610 176.094 0.140 0.000 1.036 711 V CA -0.558 61.801 62.300 0.099 0.000 0.840 711 V CB -0.237 31.701 31.823 0.190 0.000 1.036 711 V HN 0.304 nan 8.190 nan 0.000 0.466 712 H N 3.221 122.304 119.070 0.021 0.000 2.897 712 H HA -0.003 4.553 4.556 -0.000 0.000 0.347 712 H C 0.803 175.973 175.328 -0.262 0.000 1.068 712 H CA -0.018 55.942 56.048 -0.145 0.000 1.426 712 H CB 0.766 30.363 29.762 -0.274 0.000 1.410 712 H HN 0.629 nan 8.280 nan 0.000 0.597 713 F N 2.032 121.731 119.950 -0.418 0.000 2.184 713 F HA -0.322 4.205 4.527 -0.000 0.000 0.301 713 F C 2.607 178.137 175.800 -0.450 0.000 1.076 713 F CA 1.863 59.411 58.000 -0.752 0.000 1.295 713 F CB -0.181 38.580 39.000 -0.398 0.000 1.026 713 F HN 0.684 nan 8.300 nan 0.000 0.494 714 Q N 0.162 119.860 119.800 -0.170 0.000 2.118 714 Q HA -0.337 4.003 4.340 -0.000 0.000 0.211 714 Q C 2.091 177.902 176.000 -0.315 0.000 0.998 714 Q CA 2.472 58.124 55.803 -0.251 0.000 0.872 714 Q CB -0.420 28.117 28.738 -0.335 0.000 0.925 714 Q HN 0.580 nan 8.270 nan 0.000 0.414 715 Q N -0.350 119.309 119.800 -0.234 0.000 2.135 715 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 715 Q C 2.209 178.145 176.000 -0.107 0.000 0.981 715 Q CA 1.643 57.432 55.803 -0.024 0.000 0.856 715 Q CB -0.251 28.521 28.738 0.057 0.000 0.902 715 Q HN 0.348 nan 8.270 nan 0.000 0.425 716 S N 0.081 115.603 115.700 -0.297 0.000 2.414 716 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 716 S C 1.985 176.355 174.600 -0.384 0.000 1.022 716 S CA 0.731 58.731 58.200 -0.332 0.000 0.958 716 S CB -0.008 62.913 63.200 -0.465 0.000 0.797 716 S HN 0.414 nan 8.310 nan 0.000 0.493 717 A N 0.979 123.510 122.820 -0.483 0.000 2.015 717 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 717 A C 2.170 179.683 177.584 -0.119 0.000 1.163 717 A CA 1.091 52.979 52.037 -0.249 0.000 0.646 717 A CB -0.436 18.497 19.000 -0.111 0.000 0.806 717 A HN 0.531 nan 8.150 nan 0.000 0.448 718 Q N -0.450 119.288 119.800 -0.102 0.000 2.187 718 Q HA 0.032 4.372 4.340 -0.000 0.000 0.199 718 Q C 2.050 178.013 176.000 -0.062 0.000 0.957 718 Q CA 0.855 56.643 55.803 -0.025 0.000 0.857 718 Q CB -0.277 28.523 28.738 0.105 0.000 0.929 718 Q HN 0.777 nan 8.270 nan 0.000 0.453 719 I N 1.123 121.627 120.570 -0.110 0.000 2.142 719 I HA -0.287 3.883 4.170 -0.000 0.000 0.240 719 I C 2.511 178.472 176.117 -0.260 0.000 1.078 719 I CA 1.557 62.743 61.300 -0.190 0.000 1.343 719 I CB -0.409 37.476 38.000 -0.191 0.000 1.046 719 I HN 0.175 nan 8.210 nan 0.000 0.405 720 S N 0.740 116.318 115.700 -0.204 0.000 2.382 720 S HA -0.258 4.212 4.470 -0.000 0.000 0.228 720 S C 2.023 176.608 174.600 -0.025 0.000 1.027 720 S CA 1.351 59.462 58.200 -0.149 0.000 0.991 720 S CB -0.412 62.849 63.200 0.102 0.000 0.823 720 S HN 0.380 nan 8.310 nan 0.000 0.469 721 K N 1.649 122.035 120.400 -0.023 0.000 2.097 721 K HA 0.091 4.411 4.320 -0.000 0.000 0.205 721 K C 2.238 178.827 176.600 -0.018 0.000 1.050 721 K CA 1.060 57.350 56.287 0.006 0.000 0.938 721 K CB -0.616 31.886 32.500 0.002 0.000 0.718 721 K HN 0.444 nan 8.250 nan 0.000 0.442 722 A N 1.014 123.792 122.820 -0.069 0.000 1.930 722 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 722 A C 2.055 179.582 177.584 -0.094 0.000 1.175 722 A CA 1.052 53.043 52.037 -0.076 0.000 0.627 722 A CB -0.510 18.428 19.000 -0.102 0.000 0.815 722 A HN 0.301 nan 8.150 nan 0.000 0.443 723 L N -0.537 120.581 121.223 -0.174 0.000 2.046 723 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 723 L C 2.520 179.419 176.870 0.048 0.000 1.077 723 L CA 1.088 55.834 54.840 -0.157 0.000 0.747 723 L CB -0.633 41.157 42.059 -0.449 0.000 0.896 723 L HN 0.240 nan 8.230 nan 0.000 0.432 724 V N -0.206 119.775 119.914 0.112 0.000 2.343 724 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 724 V C 2.049 178.186 176.094 0.071 0.000 1.051 724 V CA 1.882 64.263 62.300 0.135 0.000 1.036 724 V CB -0.544 31.357 31.823 0.129 0.000 0.654 724 V HN 0.419 nan 8.190 nan 0.000 0.451 725 D N -0.495 119.929 120.400 0.040 0.000 2.221 725 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 725 D C 1.735 178.052 176.300 0.028 0.000 0.982 725 D CA 1.234 55.251 54.000 0.027 0.000 0.857 725 D CB -0.026 40.782 40.800 0.013 0.000 0.934 725 D HN 0.384 nan 8.370 nan 0.000 0.475 726 V N -0.858 119.074 119.914 0.029 0.000 3.483 726 V HA 0.335 4.455 4.120 -0.000 0.000 0.301 726 V C 1.000 177.125 176.094 0.051 0.000 1.389 726 V CA 0.874 63.194 62.300 0.033 0.000 1.101 726 V CB -0.045 31.793 31.823 0.025 0.000 0.971 726 V HN 0.339 nan 8.190 nan 0.000 0.434 727 G N 0.721 109.560 108.800 0.066 0.000 2.160 727 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 727 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 727 G C 0.016 174.978 174.900 0.104 0.000 1.022 727 G CA 0.272 45.418 45.100 0.077 0.000 0.741 727 G HN 0.688 nan 8.290 nan 0.000 0.508 728 V N 0.634 120.630 119.914 0.138 0.000 2.432 728 V HA 0.474 4.594 4.120 -0.000 0.000 0.275 728 V C 0.461 176.738 176.094 0.304 0.000 1.043 728 V CA -0.581 61.833 62.300 0.189 0.000 0.925 728 V CB 1.690 33.609 31.823 0.160 0.000 0.985 728 V HN 0.379 nan 8.190 nan 0.000 0.466 729 D N 3.854 124.402 120.400 0.246 0.000 2.264 729 D HA 0.633 5.273 4.640 -0.000 0.000 0.249 729 D C -0.561 175.960 176.300 0.369 0.000 1.070 729 D CA 0.177 54.303 54.000 0.209 0.000 0.912 729 D CB 0.963 41.822 40.800 0.099 0.000 1.193 729 D HN 0.365 nan 8.370 nan 0.000 0.427 730 F N -0.803 119.225 119.950 0.129 0.000 2.858 730 F HA 0.419 4.946 4.527 -0.000 0.000 0.319 730 F C -1.636 174.233 175.800 0.116 0.000 1.166 730 F CA -1.103 57.003 58.000 0.177 0.000 0.899 730 F CB 0.752 39.892 39.000 0.234 0.000 1.332 730 F HN 0.101 nan 8.300 nan 0.000 0.461 731 Q N 1.395 121.313 119.800 0.197 0.000 2.274 731 Q HA 0.802 5.142 4.340 -0.000 0.000 0.260 731 Q C -0.908 175.133 176.000 0.069 0.000 0.974 731 Q CA -0.918 54.901 55.803 0.028 0.000 0.876 731 Q CB 2.345 31.135 28.738 0.088 0.000 1.297 731 Q HN 1.013 nan 8.270 nan 0.000 0.446 732 A N 2.104 124.919 122.820 -0.008 0.000 2.479 732 A HA 0.869 5.189 4.320 -0.000 0.000 0.296 732 A C -1.186 176.354 177.584 -0.074 0.000 1.121 732 A CA -0.635 51.423 52.037 0.034 0.000 0.743 732 A CB 1.925 21.025 19.000 0.166 0.000 1.323 732 A HN 0.662 nan 8.150 nan 0.000 0.415 733 M N 1.339 120.875 119.600 -0.107 0.000 2.255 733 M HA 0.538 5.018 4.480 -0.000 0.000 0.275 733 M C -1.834 174.352 176.300 -0.190 0.000 1.050 733 M CA -0.444 54.653 55.300 -0.339 0.000 0.978 733 M CB 1.051 33.346 32.600 -0.507 0.000 1.761 733 M HN 0.911 nan 8.290 nan 0.000 0.479 734 W N 4.405 125.586 121.300 -0.197 0.000 2.375 734 W HA 0.744 5.404 4.660 -0.000 0.000 0.336 734 W C -1.948 174.336 176.519 -0.391 0.000 1.160 734 W CA -0.726 56.580 57.345 -0.065 0.000 1.266 734 W CB 0.266 29.737 29.460 0.018 0.000 1.195 734 W HN 0.614 nan 8.180 nan 0.000 0.599 735 Y N 2.446 122.878 120.300 0.221 0.000 2.388 735 Y HA 0.284 4.834 4.550 -0.000 0.000 0.328 735 Y C 0.533 176.560 175.900 0.211 0.000 0.963 735 Y CA -1.050 57.101 58.100 0.085 0.000 1.240 735 Y CB 1.244 39.717 38.460 0.023 0.000 1.118 735 Y HN 0.419 nan 8.280 nan 0.000 0.484 736 T N 4.658 119.395 114.554 0.304 0.000 2.822 736 T HA -0.046 4.304 4.350 -0.000 0.000 0.288 736 T C 0.236 175.021 174.700 0.142 0.000 0.991 736 T CA 0.696 62.921 62.100 0.208 0.000 1.176 736 T CB -0.148 68.776 68.868 0.093 0.000 0.951 736 T HN 0.711 nan 8.240 nan 0.000 0.526 737 D N 0.860 121.332 120.400 0.120 0.000 3.079 737 D HA -0.125 4.515 4.640 -0.000 0.000 0.214 737 D C 0.276 176.711 176.300 0.225 0.000 1.145 737 D CA 1.122 55.146 54.000 0.041 0.000 0.958 737 D CB -0.349 40.266 40.800 -0.308 0.000 1.117 737 D HN 0.583 nan 8.370 nan 0.000 0.416 738 E N 0.948 121.298 120.200 0.249 0.000 2.313 738 E HA 0.309 4.659 4.350 -0.000 0.000 0.272 738 E C 0.732 177.510 176.600 0.296 0.000 1.038 738 E CA -0.306 56.253 56.400 0.265 0.000 0.863 738 E CB 1.221 31.064 29.700 0.238 0.000 1.060 738 E HN 0.331 nan 8.360 nan 0.000 0.402 739 D N -0.417 120.165 120.400 0.303 0.000 2.530 739 D HA -0.026 4.614 4.640 -0.000 0.000 0.282 739 D C 1.137 177.644 176.300 0.344 0.000 1.204 739 D CA -0.186 54.015 54.000 0.334 0.000 1.093 739 D CB -0.152 40.872 40.800 0.374 0.000 1.154 739 D HN 0.492 nan 8.370 nan 0.000 0.593 740 H N -1.495 117.753 119.070 0.297 0.000 2.426 740 H HA 0.003 4.559 4.556 -0.000 0.000 0.298 740 H C 1.922 177.490 175.328 0.400 0.000 1.107 740 H CA 2.441 58.684 56.048 0.325 0.000 1.298 740 H CB -0.434 29.501 29.762 0.289 0.000 1.377 740 H HN 0.473 nan 8.280 nan 0.000 0.519 741 G N -0.116 108.822 108.800 0.230 0.000 2.623 741 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.214 741 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.214 741 G C 0.642 175.677 174.900 0.225 0.000 1.138 741 G CA 0.326 45.486 45.100 0.099 0.000 0.794 741 G HN 0.553 nan 8.290 nan 0.000 0.535 742 I N -0.048 120.680 120.570 0.263 0.000 6.347 742 I HA -0.315 3.855 4.170 -0.000 0.000 0.126 742 I C 1.306 177.522 176.117 0.165 0.000 1.576 742 I CA 0.205 61.619 61.300 0.189 0.000 2.463 742 I CB -1.138 36.947 38.000 0.143 0.000 2.990 742 I HN 0.265 nan 8.210 nan 0.000 0.281 743 A N 1.384 124.280 122.820 0.126 0.000 2.508 743 A HA 0.341 4.661 4.320 -0.000 0.000 0.250 743 A C 1.025 178.642 177.584 0.054 0.000 1.208 743 A CA 0.510 52.587 52.037 0.068 0.000 0.960 743 A CB 0.286 19.288 19.000 0.002 0.000 1.099 743 A HN 0.617 nan 8.150 nan 0.000 0.542 744 S N -0.105 115.649 115.700 0.089 0.000 2.563 744 S HA 0.135 4.605 4.470 -0.000 0.000 0.284 744 S C 1.234 175.887 174.600 0.089 0.000 1.331 744 S CA 0.437 58.686 58.200 0.082 0.000 1.047 744 S CB 1.083 64.341 63.200 0.097 0.000 0.859 744 S HN 0.602 nan 8.310 nan 0.000 0.514 745 S N 2.255 117.995 115.700 0.068 0.000 2.380 745 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 745 S C 2.022 176.684 174.600 0.104 0.000 1.043 745 S CA 2.260 60.507 58.200 0.078 0.000 1.038 745 S CB -1.459 61.768 63.200 0.044 0.000 0.872 745 S HN 1.053 nan 8.310 nan 0.000 0.456 746 T N -0.756 113.848 114.554 0.084 0.000 2.851 746 T HA 0.286 4.636 4.350 -0.000 0.000 0.262 746 T C 1.999 176.759 174.700 0.100 0.000 1.043 746 T CA 1.072 63.222 62.100 0.083 0.000 1.140 746 T CB -0.834 68.075 68.868 0.069 0.000 0.872 746 T HN 0.436 nan 8.240 nan 0.000 0.446 747 A N 1.545 124.413 122.820 0.080 0.000 1.898 747 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 747 A C 2.217 179.783 177.584 -0.031 0.000 1.181 747 A CA 1.996 54.032 52.037 -0.001 0.000 0.620 747 A CB -1.229 17.748 19.000 -0.038 0.000 0.819 747 A HN 0.755 nan 8.150 nan 0.000 0.442 748 H N -0.160 118.900 119.070 -0.017 0.000 2.321 748 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 748 H C 2.069 177.450 175.328 0.087 0.000 1.087 748 H CA 2.268 58.346 56.048 0.049 0.000 1.319 748 H CB -0.251 29.536 29.762 0.042 0.000 1.379 748 H HN 0.570 nan 8.280 nan 0.000 0.501 749 Q N -1.244 118.514 119.800 -0.070 0.000 2.124 749 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 749 Q C 2.115 178.073 176.000 -0.070 0.000 0.977 749 Q CA 1.658 57.383 55.803 -0.131 0.000 0.850 749 Q CB -0.158 28.556 28.738 -0.040 0.000 0.901 749 Q HN 0.673 nan 8.270 nan 0.000 0.429 750 H N 0.360 119.385 119.070 -0.075 0.000 2.333 750 H HA -0.040 4.516 4.556 -0.000 0.000 0.302 750 H C 1.944 177.239 175.328 -0.055 0.000 1.075 750 H CA 1.451 57.486 56.048 -0.020 0.000 1.348 750 H CB 0.057 29.872 29.762 0.088 0.000 1.393 750 H HN 0.217 nan 8.280 nan 0.000 0.509 751 I N -0.400 120.125 120.570 -0.076 0.000 2.226 751 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 751 I C 1.286 177.166 176.117 -0.395 0.000 1.100 751 I CA 1.356 62.512 61.300 -0.240 0.000 1.374 751 I CB -0.124 37.540 38.000 -0.560 0.000 1.057 751 I HN 0.314 nan 8.210 nan 0.000 0.413 752 Y N 0.758 120.845 120.300 -0.354 0.000 2.373 752 Y HA -0.173 4.377 4.550 -0.000 0.000 0.293 752 Y C 2.664 178.363 175.900 -0.336 0.000 1.129 752 Y CA 1.672 59.467 58.100 -0.507 0.000 1.226 752 Y CB -0.690 37.465 38.460 -0.507 0.000 1.000 752 Y HN 0.151 nan 8.280 nan 0.000 0.549 753 T N -1.805 112.641 114.554 -0.180 0.000 2.812 753 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 753 T C 1.545 176.008 174.700 -0.395 0.000 1.042 753 T CA 1.716 63.637 62.100 -0.298 0.000 1.140 753 T CB -0.367 68.317 68.868 -0.307 0.000 0.870 753 T HN 0.405 nan 8.240 nan 0.000 0.445 754 H N 0.798 119.662 119.070 -0.343 0.000 2.353 754 H HA 0.133 4.689 4.556 -0.000 0.000 0.300 754 H C 2.151 177.419 175.328 -0.101 0.000 1.090 754 H CA 1.500 57.428 56.048 -0.200 0.000 1.327 754 H CB -0.182 29.509 29.762 -0.118 0.000 1.383 754 H HN 0.243 nan 8.280 nan 0.000 0.508 755 M N -0.909 118.618 119.600 -0.122 0.000 2.175 755 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 755 M C 2.406 178.818 176.300 0.187 0.000 1.063 755 M CA 1.329 56.575 55.300 -0.091 0.000 1.119 755 M CB 0.050 32.371 32.600 -0.465 0.000 1.377 755 M HN 0.207 nan 8.290 nan 0.000 0.415 756 S N -0.444 115.397 115.700 0.235 0.000 2.353 756 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 756 S C 1.688 176.421 174.600 0.223 0.000 1.035 756 S CA 1.219 59.639 58.200 0.366 0.000 1.025 756 S CB -0.637 62.772 63.200 0.347 0.000 0.902 756 S HN 0.451 nan 8.310 nan 0.000 0.440 757 H N 0.162 119.289 119.070 0.095 0.000 2.353 757 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 757 H C 1.898 177.231 175.328 0.009 0.000 1.103 757 H CA 1.401 57.459 56.048 0.017 0.000 1.293 757 H CB -0.895 28.828 29.762 -0.065 0.000 1.372 757 H HN 0.467 nan 8.280 nan 0.000 0.501 758 F N 0.749 120.685 119.950 -0.024 0.000 2.102 758 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 758 F C 2.440 178.192 175.800 -0.079 0.000 1.105 758 F CA 1.049 59.004 58.000 -0.075 0.000 1.239 758 F CB -0.403 38.531 39.000 -0.110 0.000 0.991 758 F HN 0.006 nan 8.300 nan 0.000 0.474 759 I N 0.164 120.754 120.570 0.033 0.000 2.353 759 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 759 I C 2.313 178.234 176.117 -0.326 0.000 1.119 759 I CA 1.047 62.180 61.300 -0.277 0.000 1.417 759 I CB -0.472 37.416 38.000 -0.187 0.000 1.078 759 I HN 0.102 nan 8.210 nan 0.000 0.421 760 K N 0.788 121.145 120.400 -0.072 0.000 2.032 760 K HA -0.267 4.053 4.320 -0.000 0.000 0.209 760 K C 2.106 178.696 176.600 -0.017 0.000 1.048 760 K CA 2.012 58.307 56.287 0.013 0.000 0.927 760 K CB -0.322 32.240 32.500 0.104 0.000 0.712 760 K HN 0.422 nan 8.250 nan 0.000 0.441 761 Q N 0.877 120.632 119.800 -0.075 0.000 2.079 761 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 761 Q C 2.240 178.161 176.000 -0.133 0.000 0.974 761 Q CA 1.888 57.634 55.803 -0.095 0.000 0.840 761 Q CB -1.012 27.655 28.738 -0.118 0.000 0.898 761 Q HN 0.326 nan 8.270 nan 0.000 0.430 762 c N -0.383 118.044 118.600 -0.288 0.000 2.419 762 c HA 0.044 4.614 4.570 -0.000 0.000 0.281 762 c C 1.449 175.599 174.090 0.101 0.000 1.336 762 c CA 0.221 56.404 56.329 -0.244 0.000 1.770 762 c CB -1.215 40.985 42.510 -0.517 0.000 1.929 762 c HN 0.619 nan 8.230 nan 0.000 0.509 763 F N 1.637 121.550 119.950 -0.062 0.000 2.693 763 F HA 0.261 4.788 4.527 -0.000 0.000 0.303 763 F C 1.651 177.435 175.800 -0.025 0.000 1.097 763 F CA 0.215 58.200 58.000 -0.027 0.000 1.330 763 F CB -1.214 37.780 39.000 -0.009 0.000 1.067 763 F HN 0.232 nan 8.300 nan 0.000 0.565 764 S N 0.673 116.457 115.700 0.139 0.000 3.533 764 S HA -0.217 4.253 4.470 -0.000 0.000 0.347 764 S C 0.236 174.876 174.600 0.067 0.000 1.101 764 S CA 0.144 58.385 58.200 0.069 0.000 1.009 764 S CB -2.181 61.047 63.200 0.045 0.000 0.916 764 S HN 0.246 nan 8.310 nan 0.000 0.496 765 L N 1.197 122.478 121.223 0.097 0.000 2.331 765 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 765 L C -1.255 175.649 176.870 0.055 0.000 1.106 765 L CA -1.948 52.939 54.840 0.079 0.000 0.824 765 L CB 0.029 42.154 42.059 0.109 0.000 1.142 765 L HN 0.014 nan 8.230 nan 0.000 0.443 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.119 63.100 0.032 0.000 0.800 766 P CB 0.000 31.716 31.700 0.027 0.000 0.726