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 2p8s_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.065 0.000 1.109 39 T CA 0.000 62.130 62.100 0.050 0.000 1.349 39 T CB 0.000 68.892 68.868 0.040 0.000 0.612 40 R N 3.172 123.717 120.500 0.075 0.000 2.861 40 R HA 0.417 4.758 4.340 0.001 0.000 0.268 40 R C 0.444 176.800 176.300 0.093 0.000 1.027 40 R CA -0.409 55.739 56.100 0.081 0.000 1.163 40 R CB -0.051 30.298 30.300 0.081 0.000 1.060 40 R HN 0.628 nan 8.270 nan 0.000 0.483 41 K N 0.163 120.623 120.400 0.101 0.000 2.180 41 K HA 0.146 4.466 4.320 0.001 0.000 0.251 41 K C -0.186 176.491 176.600 0.128 0.000 1.014 41 K CA -0.473 55.883 56.287 0.115 0.000 0.913 41 K CB 0.681 33.259 32.500 0.129 0.000 1.008 41 K HN 0.798 nan 8.250 nan 0.000 0.490 42 T N -2.279 112.361 114.554 0.143 0.000 2.937 42 T HA 0.179 4.529 4.350 0.001 0.000 0.283 42 T C -0.819 174.020 174.700 0.233 0.000 1.012 42 T CA -0.811 61.387 62.100 0.164 0.000 0.997 42 T CB 0.566 69.523 68.868 0.149 0.000 1.136 42 T HN 0.543 nan 8.240 nan 0.000 0.551 43 Y N 2.468 122.847 120.300 0.131 0.000 2.504 43 Y HA 0.397 4.948 4.550 0.001 0.000 0.351 43 Y C 0.943 177.012 175.900 0.282 0.000 0.988 43 Y CA -0.410 57.809 58.100 0.199 0.000 1.239 43 Y CB -0.123 38.413 38.460 0.127 0.000 1.128 43 Y HN 1.024 nan 8.280 nan 0.000 0.525 44 T N 2.290 116.852 114.554 0.013 0.000 2.824 44 T HA 0.120 4.470 4.350 0.001 0.000 0.277 44 T C 0.978 175.596 174.700 -0.137 0.000 0.975 44 T CA -0.638 61.514 62.100 0.087 0.000 0.966 44 T CB 1.125 70.010 68.868 0.029 0.000 1.054 44 T HN 0.694 nan 8.240 nan 0.000 0.533 45 L N 0.782 121.758 121.223 -0.412 0.000 2.093 45 L HA 0.055 4.396 4.340 0.001 0.000 0.208 45 L C 2.571 179.288 176.870 -0.256 0.000 1.085 45 L CA 2.050 56.490 54.840 -0.667 0.000 0.755 45 L CB -1.427 40.108 42.059 -0.872 0.000 0.904 45 L HN 0.940 nan 8.230 nan 0.000 0.435 46 T N -0.499 113.937 114.554 -0.197 0.000 2.821 46 T HA -0.135 4.216 4.350 0.001 0.000 0.267 46 T C 1.432 176.035 174.700 -0.161 0.000 1.046 46 T CA 1.394 63.409 62.100 -0.142 0.000 1.139 46 T CB -0.336 68.473 68.868 -0.099 0.000 0.871 46 T HN 0.399 nan 8.240 nan 0.000 0.454 47 D N 0.205 120.471 120.400 -0.224 0.000 2.144 47 D HA -0.079 4.562 4.640 0.001 0.000 0.199 47 D C 1.708 177.889 176.300 -0.199 0.000 0.984 47 D CA 0.939 54.767 54.000 -0.287 0.000 0.834 47 D CB -0.354 40.169 40.800 -0.463 0.000 0.955 47 D HN 0.428 nan 8.370 nan 0.000 0.465 48 Y N 1.520 121.631 120.300 -0.316 0.000 2.163 48 Y HA -0.081 4.470 4.550 0.001 0.000 0.288 48 Y C 2.118 178.020 175.900 0.004 0.000 1.136 48 Y CA 1.201 59.292 58.100 -0.016 0.000 1.147 48 Y CB -0.538 37.974 38.460 0.088 0.000 0.987 48 Y HN -0.112 nan 8.280 nan 0.000 0.509 49 L N -0.028 121.016 121.223 -0.298 0.000 2.141 49 L HA -0.138 4.202 4.340 0.001 0.000 0.209 49 L C 1.819 178.581 176.870 -0.181 0.000 1.094 49 L CA 1.188 55.837 54.840 -0.319 0.000 0.763 49 L CB -0.428 41.516 42.059 -0.193 0.000 0.908 49 L HN 0.042 nan 8.230 nan 0.000 0.437 50 K N -0.163 120.153 120.400 -0.140 0.000 2.387 50 K HA 0.119 4.439 4.320 0.001 0.000 0.198 50 K C 0.072 176.617 176.600 -0.091 0.000 1.022 50 K CA -0.111 56.114 56.287 -0.102 0.000 1.128 50 K CB -0.020 32.423 32.500 -0.095 0.000 0.853 50 K HN 0.202 nan 8.250 nan 0.000 0.523 51 N N 1.346 119.997 118.700 -0.081 0.000 2.725 51 N HA -0.157 4.584 4.740 0.001 0.000 0.251 51 N C 0.386 175.874 175.510 -0.038 0.000 1.031 51 N CA 1.001 54.042 53.050 -0.015 0.000 0.720 51 N CB -1.396 37.081 38.487 -0.017 0.000 0.930 51 N HN 0.184 nan 8.380 nan 0.000 0.543 52 T N -1.226 113.251 114.554 -0.129 0.000 2.720 52 T HA -0.173 4.178 4.350 0.001 0.000 0.268 52 T C 0.556 175.038 174.700 -0.365 0.000 1.037 52 T CA 1.370 63.270 62.100 -0.334 0.000 1.144 52 T CB -0.109 68.391 68.868 -0.614 0.000 0.864 52 T HN 0.357 nan 8.240 nan 0.000 0.444 53 Y N 2.509 122.903 120.300 0.157 0.000 2.417 53 Y HA 0.464 5.015 4.550 0.001 0.000 0.336 53 Y C 0.327 176.337 175.900 0.183 0.000 0.961 53 Y CA -1.337 56.878 58.100 0.192 0.000 1.215 53 Y CB 0.370 39.005 38.460 0.292 0.000 1.120 53 Y HN 0.047 nan 8.280 nan 0.000 0.499 54 R N 2.387 123.031 120.500 0.241 0.000 2.460 54 R HA 0.655 4.996 4.340 0.001 0.000 0.303 54 R C -1.423 174.987 176.300 0.183 0.000 0.968 54 R CA -1.095 55.115 56.100 0.183 0.000 0.889 54 R CB 1.158 31.523 30.300 0.108 0.000 1.123 54 R HN 0.328 nan 8.270 nan 0.000 0.455 55 L N 2.604 123.937 121.223 0.183 0.000 2.349 55 L HA 0.266 4.607 4.340 0.001 0.000 0.275 55 L C 0.359 177.312 176.870 0.139 0.000 1.115 55 L CA 0.212 55.158 54.840 0.177 0.000 0.820 55 L CB 0.628 42.813 42.059 0.210 0.000 1.135 55 L HN 0.502 nan 8.230 nan 0.000 0.445 56 K N 2.654 123.131 120.400 0.128 0.000 2.118 56 K HA 0.630 4.951 4.320 0.001 0.000 0.267 56 K C -0.834 175.816 176.600 0.084 0.000 0.991 56 K CA -0.687 55.654 56.287 0.090 0.000 0.916 56 K CB 1.267 33.815 32.500 0.080 0.000 1.041 56 K HN 0.214 nan 8.250 nan 0.000 0.455 57 L N 1.101 122.308 121.223 -0.027 0.000 2.267 57 L HA 0.462 4.803 4.340 0.001 0.000 0.264 57 L C -1.084 175.539 176.870 -0.412 0.000 1.021 57 L CA -0.628 54.065 54.840 -0.245 0.000 0.861 57 L CB 0.559 42.580 42.059 -0.063 0.000 1.443 57 L HN 0.535 nan 8.230 nan 0.000 0.475 58 Y N -0.133 119.686 120.300 -0.802 0.000 2.532 58 Y HA 0.376 4.927 4.550 0.001 0.000 0.318 58 Y C -0.927 174.820 175.900 -0.255 0.000 1.138 58 Y CA -0.407 57.408 58.100 -0.475 0.000 1.306 58 Y CB 1.001 39.002 38.460 -0.766 0.000 1.106 58 Y HN 0.441 nan 8.280 nan 0.000 0.588 59 S N 5.536 121.175 115.700 -0.102 0.000 2.416 59 S HA 0.541 5.011 4.470 0.001 0.000 0.287 59 S C -0.513 174.058 174.600 -0.049 0.000 1.139 59 S CA -0.544 57.632 58.200 -0.040 0.000 1.058 59 S CB -0.001 63.182 63.200 -0.029 0.000 0.967 59 S HN 0.538 nan 8.310 nan 0.000 0.495 60 L N 1.514 122.671 121.223 -0.110 0.000 2.304 60 L HA 0.789 5.129 4.340 0.001 0.000 0.268 60 L C -0.234 176.548 176.870 -0.147 0.000 1.010 60 L CA -0.952 53.777 54.840 -0.185 0.000 0.813 60 L CB 0.781 42.421 42.059 -0.698 0.000 1.315 60 L HN 0.352 nan 8.230 nan 0.000 0.445 61 R N 0.532 120.991 120.500 -0.068 0.000 2.473 61 R HA 0.350 4.691 4.340 0.001 0.000 0.303 61 R C -1.750 174.601 176.300 0.085 0.000 1.002 61 R CA -0.285 55.832 56.100 0.028 0.000 0.884 61 R CB 1.067 31.422 30.300 0.092 0.000 1.173 61 R HN 0.662 nan 8.270 nan 0.000 0.464 62 W N 4.389 125.792 121.300 0.172 0.000 2.308 62 W HA 0.103 4.764 4.660 0.001 0.000 0.324 62 W C 1.516 178.125 176.519 0.150 0.000 1.387 62 W CA -0.402 57.058 57.345 0.192 0.000 1.250 62 W CB 0.454 30.017 29.460 0.171 0.000 1.257 62 W HN 0.656 nan 8.180 nan 0.000 0.554 63 I N 0.437 121.247 120.570 0.400 0.000 4.139 63 I HA 0.294 4.465 4.170 0.001 0.000 0.335 63 I C 0.723 176.981 176.117 0.235 0.000 1.327 63 I CA -0.081 61.360 61.300 0.236 0.000 1.112 63 I CB -0.131 37.940 38.000 0.118 0.000 1.058 63 I HN 0.263 nan 8.210 nan 0.000 0.396 64 S N -0.455 115.432 115.700 0.311 0.000 2.815 64 S HA 0.270 4.741 4.470 0.001 0.000 0.296 64 S C -0.266 174.446 174.600 0.188 0.000 1.224 64 S CA -0.208 58.138 58.200 0.243 0.000 0.938 64 S CB 1.292 64.660 63.200 0.281 0.000 1.285 64 S HN 0.057 nan 8.310 nan 0.000 0.549 65 D N -0.809 119.625 120.400 0.057 0.000 2.339 65 D HA 0.252 4.892 4.640 0.001 0.000 0.217 65 D C 0.901 177.013 176.300 -0.314 0.000 1.050 65 D CA 0.625 54.494 54.000 -0.217 0.000 0.856 65 D CB 0.014 40.609 40.800 -0.341 0.000 0.922 65 D HN 0.576 nan 8.370 nan 0.000 0.518 66 H N -1.393 117.850 119.070 0.289 0.000 3.457 66 H HA 0.340 4.897 4.556 0.001 0.000 0.255 66 H C 0.007 175.502 175.328 0.278 0.000 1.082 66 H CA 0.014 56.239 56.048 0.295 0.000 1.189 66 H CB 1.203 31.094 29.762 0.215 0.000 1.511 66 H HN 0.148 nan 8.280 nan 0.000 0.527 67 E N 0.877 121.359 120.200 0.469 0.000 2.369 67 E HA 0.399 4.750 4.350 0.001 0.000 0.270 67 E C -1.458 175.394 176.600 0.420 0.000 0.909 67 E CA -1.052 55.546 56.400 0.330 0.000 0.775 67 E CB 3.245 33.055 29.700 0.184 0.000 1.270 67 E HN 0.108 nan 8.360 nan 0.000 0.445 68 Y N -1.119 119.245 120.300 0.107 0.000 2.588 68 Y HA 0.637 5.188 4.550 0.001 0.000 0.343 68 Y C -1.631 174.283 175.900 0.024 0.000 1.065 68 Y CA -1.323 56.732 58.100 -0.076 0.000 1.038 68 Y CB 0.858 38.928 38.460 -0.650 0.000 1.297 68 Y HN 0.337 nan 8.280 nan 0.000 0.467 69 L N 3.087 124.452 121.223 0.238 0.000 2.334 69 L HA 0.531 4.872 4.340 0.001 0.000 0.275 69 L C -1.341 175.743 176.870 0.357 0.000 1.036 69 L CA -1.026 53.932 54.840 0.195 0.000 0.807 69 L CB 1.637 43.724 42.059 0.047 0.000 1.231 69 L HN 0.800 nan 8.230 nan 0.000 0.438 70 Y N 2.309 122.722 120.300 0.188 0.000 2.401 70 Y HA 0.294 4.844 4.550 0.001 0.000 0.330 70 Y C -0.788 175.151 175.900 0.065 0.000 1.071 70 Y CA -1.137 57.005 58.100 0.070 0.000 1.049 70 Y CB 1.572 40.040 38.460 0.013 0.000 1.239 70 Y HN 0.441 nan 8.280 nan 0.000 0.437 71 K N 4.941 125.015 120.400 -0.544 0.000 2.276 71 K HA 0.322 4.643 4.320 0.001 0.000 0.285 71 K C -1.123 175.124 176.600 -0.589 0.000 1.062 71 K CA -0.366 55.675 56.287 -0.408 0.000 0.918 71 K CB 0.778 33.134 32.500 -0.240 0.000 1.055 71 K HN 0.837 nan 8.250 nan 0.000 0.477 72 Q N 3.612 123.260 119.800 -0.254 0.000 2.290 72 Q HA 0.114 4.455 4.340 0.001 0.000 0.269 72 Q C -1.285 174.680 176.000 -0.057 0.000 1.016 72 Q CA -0.205 55.524 55.803 -0.123 0.000 0.754 72 Q CB 1.142 29.941 28.738 0.102 0.000 1.247 72 Q HN 0.728 nan 8.270 nan 0.000 0.451 73 E N 3.298 123.464 120.200 -0.057 0.000 2.513 73 E HA -0.356 3.995 4.350 0.001 0.000 0.257 73 E C -0.485 176.086 176.600 -0.048 0.000 1.098 73 E CA 0.576 56.954 56.400 -0.036 0.000 0.752 73 E CB -1.093 28.599 29.700 -0.013 0.000 1.324 73 E HN 0.932 nan 8.360 nan 0.000 0.403 74 N N -1.170 117.489 118.700 -0.070 0.000 2.828 74 N HA -0.167 4.574 4.740 0.001 0.000 0.248 74 N C -0.791 174.673 175.510 -0.078 0.000 1.044 74 N CA 1.147 54.156 53.050 -0.068 0.000 0.851 74 N CB -0.870 37.591 38.487 -0.044 0.000 1.136 74 N HN 0.402 nan 8.380 nan 0.000 0.572 75 N N 0.804 119.456 118.700 -0.079 0.000 2.362 75 N HA 0.401 5.142 4.740 0.001 0.000 0.298 75 N C 0.011 175.472 175.510 -0.082 0.000 1.048 75 N CA -0.343 52.663 53.050 -0.074 0.000 0.858 75 N CB 1.432 39.890 38.487 -0.049 0.000 1.218 75 N HN 0.104 nan 8.380 nan 0.000 0.488 76 I N 3.302 123.822 120.570 -0.084 0.000 2.301 76 I HA 0.224 4.395 4.170 0.001 0.000 0.292 76 I C 0.139 176.285 176.117 0.049 0.000 1.046 76 I CA -0.269 60.991 61.300 -0.068 0.000 1.282 76 I CB 0.500 38.408 38.000 -0.152 0.000 1.409 76 I HN 0.229 nan 8.210 nan 0.000 0.484 77 L N 6.782 128.051 121.223 0.078 0.000 2.352 77 L HA 0.619 4.959 4.340 0.001 0.000 0.269 77 L C -0.267 176.637 176.870 0.057 0.000 1.034 77 L CA -0.946 53.919 54.840 0.042 0.000 0.806 77 L CB 2.088 44.135 42.059 -0.020 0.000 1.244 77 L HN 0.312 nan 8.230 nan 0.000 0.447 78 V N 1.759 121.631 119.914 -0.071 0.000 2.495 78 V HA 0.524 4.645 4.120 0.001 0.000 0.298 78 V C -1.030 174.890 176.094 -0.291 0.000 1.031 78 V CA -0.249 62.012 62.300 -0.065 0.000 0.871 78 V CB 1.450 33.303 31.823 0.049 0.000 0.988 78 V HN 0.464 nan 8.190 nan 0.000 0.432 79 F N 5.109 124.807 119.950 -0.419 0.000 2.492 79 F HA 0.517 5.045 4.527 0.001 0.000 0.327 79 F C 0.473 176.012 175.800 -0.434 0.000 1.079 79 F CA -0.538 57.131 58.000 -0.552 0.000 0.967 79 F CB 1.739 40.043 39.000 -1.161 0.000 1.169 79 F HN 0.513 nan 8.300 nan 0.000 0.472 80 N N 1.719 120.383 118.700 -0.059 0.000 2.426 80 N HA 0.284 5.025 4.740 0.001 0.000 0.257 80 N C 0.374 175.862 175.510 -0.036 0.000 1.002 80 N CA 0.067 53.117 53.050 0.000 0.000 0.942 80 N CB 1.855 40.385 38.487 0.072 0.000 1.112 80 N HN 0.812 nan 8.380 nan 0.000 0.499 81 A N 3.646 126.401 122.820 -0.108 0.000 1.902 81 A HA -0.174 4.147 4.320 0.001 0.000 0.217 81 A C 1.863 179.198 177.584 -0.416 0.000 1.181 81 A CA 1.458 53.326 52.037 -0.280 0.000 0.623 81 A CB -0.420 18.194 19.000 -0.643 0.000 0.818 81 A HN 0.780 nan 8.150 nan 0.000 0.443 82 E N -0.868 119.071 120.200 -0.434 0.000 2.077 82 E HA -0.167 4.184 4.350 0.001 0.000 0.193 82 E C 1.383 177.679 176.600 -0.506 0.000 0.989 82 E CA 1.835 57.981 56.400 -0.422 0.000 0.800 82 E CB -0.378 29.026 29.700 -0.494 0.000 0.746 82 E HN 0.768 nan 8.360 nan 0.000 0.452 83 Y N -2.325 117.980 120.300 0.009 0.000 2.498 83 Y HA 0.314 4.865 4.550 0.001 0.000 0.259 83 Y C 1.576 177.486 175.900 0.017 0.000 1.086 83 Y CA 0.060 58.169 58.100 0.014 0.000 1.287 83 Y CB 1.100 39.569 38.460 0.014 0.000 1.146 83 Y HN 0.195 nan 8.280 nan 0.000 0.523 84 G N 1.211 110.095 108.800 0.140 0.000 2.176 84 G HA2 -0.300 3.661 3.960 0.001 0.000 0.253 84 G HA3 -0.300 3.661 3.960 0.001 0.000 0.253 84 G C -0.150 174.865 174.900 0.192 0.000 0.979 84 G CA 0.180 45.381 45.100 0.168 0.000 0.641 84 G HN 0.446 nan 8.290 nan 0.000 0.530 85 N N 0.466 119.237 118.700 0.119 0.000 2.513 85 N HA 0.611 5.352 4.740 0.001 0.000 0.274 85 N C 0.121 175.546 175.510 -0.142 0.000 1.189 85 N CA 0.551 53.606 53.050 0.008 0.000 0.975 85 N CB 1.733 40.223 38.487 0.006 0.000 1.157 85 N HN 0.845 nan 8.380 nan 0.000 0.465 86 S N -0.042 115.475 115.700 -0.305 0.000 2.732 86 S HA 0.770 5.241 4.470 0.001 0.000 0.293 86 S C -0.834 173.574 174.600 -0.319 0.000 1.159 86 S CA -0.767 57.110 58.200 -0.539 0.000 0.847 86 S CB 1.558 63.965 63.200 -1.321 0.000 1.169 86 S HN 0.630 nan 8.310 nan 0.000 0.501 87 S N -0.272 115.253 115.700 -0.292 0.000 2.579 87 S HA 0.585 5.055 4.470 0.001 0.000 0.272 87 S C -1.143 173.380 174.600 -0.129 0.000 1.141 87 S CA -0.715 57.387 58.200 -0.162 0.000 0.843 87 S CB 1.641 64.782 63.200 -0.099 0.000 1.122 87 S HN 0.747 nan 8.310 nan 0.000 0.468 88 V N 2.916 122.774 119.914 -0.092 0.000 2.508 88 V HA 0.210 4.331 4.120 0.001 0.000 0.281 88 V C 0.448 176.528 176.094 -0.022 0.000 1.041 88 V CA 0.196 62.462 62.300 -0.056 0.000 1.016 88 V CB 0.346 32.125 31.823 -0.072 0.000 0.984 88 V HN 0.949 nan 8.190 nan 0.000 0.478 89 F N 5.265 125.155 119.950 -0.100 0.000 2.317 89 F HA 0.394 4.922 4.527 0.001 0.000 0.293 89 F C 0.373 176.125 175.800 -0.080 0.000 1.085 89 F CA 0.675 58.628 58.000 -0.078 0.000 1.390 89 F CB 0.578 39.543 39.000 -0.058 0.000 1.077 89 F HN 0.370 nan 8.300 nan 0.000 0.517 90 L N 1.000 122.237 121.223 0.023 0.000 2.543 90 L HA 0.312 4.653 4.340 0.001 0.000 0.265 90 L C -1.028 175.787 176.870 -0.092 0.000 0.945 90 L CA -0.591 54.205 54.840 -0.072 0.000 0.869 90 L CB 1.490 43.568 42.059 0.031 0.000 1.294 90 L HN -0.186 nan 8.230 nan 0.000 0.405 91 E N 2.822 122.934 120.200 -0.147 0.000 2.373 91 E HA 0.086 4.436 4.350 0.001 0.000 0.267 91 E C 0.598 177.117 176.600 -0.135 0.000 1.032 91 E CA -0.025 56.293 56.400 -0.137 0.000 0.889 91 E CB 0.870 30.477 29.700 -0.154 0.000 0.984 91 E HN 0.658 nan 8.360 nan 0.000 0.425 92 N N 1.327 119.972 118.700 -0.093 0.000 2.223 92 N HA -0.185 4.556 4.740 0.001 0.000 0.185 92 N C 1.297 176.769 175.510 -0.063 0.000 1.016 92 N CA 1.592 54.603 53.050 -0.064 0.000 0.863 92 N CB -0.328 38.129 38.487 -0.050 0.000 0.983 92 N HN 0.315 nan 8.380 nan 0.000 0.429 93 S N -0.549 115.096 115.700 -0.092 0.000 2.489 93 S HA -0.010 4.461 4.470 0.001 0.000 0.228 93 S C 1.668 176.168 174.600 -0.167 0.000 0.995 93 S CA 0.773 58.917 58.200 -0.093 0.000 0.934 93 S CB -0.907 62.244 63.200 -0.082 0.000 0.771 93 S HN 0.278 nan 8.310 nan 0.000 0.522 94 T N 1.663 116.038 114.554 -0.299 0.000 2.751 94 T HA -0.117 4.234 4.350 0.001 0.000 0.268 94 T C 0.347 174.585 174.700 -0.771 0.000 1.045 94 T CA 1.527 63.273 62.100 -0.590 0.000 1.142 94 T CB -0.522 67.806 68.868 -0.899 0.000 0.851 94 T HN 0.592 nan 8.240 nan 0.000 0.474 95 F N 0.413 120.262 119.950 -0.169 0.000 2.791 95 F HA 0.351 4.879 4.527 0.001 0.000 0.308 95 F C 1.181 176.970 175.800 -0.018 0.000 1.138 95 F CA -1.220 56.707 58.000 -0.122 0.000 1.294 95 F CB 0.077 38.923 39.000 -0.257 0.000 0.975 95 F HN -0.083 nan 8.300 nan 0.000 0.512 96 D N 0.940 121.377 120.400 0.062 0.000 2.190 96 D HA -0.180 4.461 4.640 0.001 0.000 0.200 96 D C 1.178 177.517 176.300 0.065 0.000 0.992 96 D CA 1.534 55.563 54.000 0.049 0.000 0.854 96 D CB 0.117 40.916 40.800 -0.003 0.000 0.936 96 D HN 0.399 nan 8.370 nan 0.000 0.462 97 E N -1.244 119.004 120.200 0.079 0.000 2.569 97 E HA 0.076 4.427 4.350 0.001 0.000 0.205 97 E C 0.726 177.371 176.600 0.075 0.000 1.006 97 E CA -0.410 56.019 56.400 0.049 0.000 0.985 97 E CB 0.085 29.796 29.700 0.018 0.000 1.060 97 E HN 0.105 nan 8.360 nan 0.000 0.460 98 F N 0.833 120.779 119.950 -0.006 0.000 2.202 98 F HA -0.078 4.450 4.527 0.001 0.000 0.301 98 F C 1.843 177.527 175.800 -0.193 0.000 1.082 98 F CA 2.085 60.064 58.000 -0.035 0.000 1.313 98 F CB -0.031 38.961 39.000 -0.014 0.000 1.024 98 F HN 0.206 nan 8.300 nan 0.000 0.495 99 G N -1.559 107.068 108.800 -0.289 0.000 2.299 99 G HA2 -0.249 3.711 3.960 0.001 0.000 0.237 99 G HA3 -0.249 3.711 3.960 0.001 0.000 0.237 99 G C 0.321 174.840 174.900 -0.636 0.000 1.027 99 G CA 0.307 45.085 45.100 -0.537 0.000 0.619 99 G HN 0.539 nan 8.290 nan 0.000 0.513 100 H N 0.314 119.209 119.070 -0.292 0.000 2.529 100 H HA 0.671 5.228 4.556 0.001 0.000 0.348 100 H C -0.333 175.068 175.328 0.121 0.000 1.152 100 H CA 0.026 56.001 56.048 -0.122 0.000 1.202 100 H CB 1.670 31.177 29.762 -0.424 0.000 1.562 100 H HN 0.149 nan 8.280 nan 0.000 0.515 101 S N 2.312 118.152 115.700 0.233 0.000 2.448 101 S HA 0.236 4.707 4.470 0.001 0.000 0.279 101 S C 0.357 175.061 174.600 0.174 0.000 1.195 101 S CA -0.726 57.570 58.200 0.161 0.000 1.051 101 S CB -0.699 62.569 63.200 0.113 0.000 0.948 101 S HN 0.344 nan 8.310 nan 0.000 0.493 102 I N 5.329 125.955 120.570 0.093 0.000 2.471 102 I HA 0.130 4.301 4.170 0.001 0.000 0.286 102 I C 1.445 177.578 176.117 0.027 0.000 1.079 102 I CA -0.305 61.016 61.300 0.035 0.000 1.398 102 I CB 0.653 38.577 38.000 -0.127 0.000 1.403 102 I HN 0.661 nan 8.210 nan 0.000 0.530 103 N N 3.406 122.121 118.700 0.025 0.000 2.251 103 N HA -0.046 4.695 4.740 0.001 0.000 0.181 103 N C 0.004 175.478 175.510 -0.060 0.000 1.019 103 N CA 1.093 54.109 53.050 -0.058 0.000 0.862 103 N CB 0.419 38.839 38.487 -0.111 0.000 0.992 103 N HN 0.704 nan 8.380 nan 0.000 0.429 104 D N -2.708 117.688 120.400 -0.006 0.000 2.665 104 D HA 0.196 4.837 4.640 0.001 0.000 0.287 104 D C -1.664 174.702 176.300 0.110 0.000 1.266 104 D CA -0.516 53.495 54.000 0.019 0.000 0.830 104 D CB 0.893 41.663 40.800 -0.050 0.000 1.356 104 D HN 0.078 nan 8.370 nan 0.000 0.437 105 Y N -1.323 119.001 120.300 0.040 0.000 2.581 105 Y HA 0.755 5.306 4.550 0.001 0.000 0.345 105 Y C -1.070 174.916 175.900 0.143 0.000 1.036 105 Y CA -1.014 57.131 58.100 0.075 0.000 1.042 105 Y CB 1.822 40.309 38.460 0.045 0.000 1.289 105 Y HN 0.133 nan 8.280 nan 0.000 0.471 106 S N 2.750 118.634 115.700 0.306 0.000 2.737 106 S HA 0.544 5.015 4.470 0.001 0.000 0.269 106 S C -1.382 173.541 174.600 0.537 0.000 1.150 106 S CA -0.547 57.837 58.200 0.306 0.000 1.077 106 S CB -0.001 63.374 63.200 0.293 0.000 1.075 106 S HN 0.703 nan 8.310 nan 0.000 0.476 107 I N 4.491 125.282 120.570 0.367 0.000 2.474 107 I HA 0.239 4.410 4.170 0.001 0.000 0.287 107 I C 1.098 177.096 176.117 -0.199 0.000 1.048 107 I CA -0.354 61.059 61.300 0.188 0.000 1.383 107 I CB 1.509 39.585 38.000 0.127 0.000 1.412 107 I HN 0.760 nan 8.210 nan 0.000 0.531 108 S N 5.867 121.149 115.700 -0.696 0.000 2.576 108 S HA 0.135 4.606 4.470 0.001 0.000 0.272 108 S C -1.822 172.488 174.600 -0.482 0.000 1.352 108 S CA -0.958 56.436 58.200 -1.343 0.000 1.021 108 S CB 0.550 62.827 63.200 -1.538 0.000 0.887 108 S HN 0.427 nan 8.310 nan 0.000 0.542 109 P HA -0.132 nan 4.420 nan 0.000 0.217 109 P C 0.674 177.936 177.300 -0.064 0.000 1.148 109 P CA 1.535 64.566 63.100 -0.115 0.000 0.828 109 P CB -0.177 31.479 31.700 -0.074 0.000 0.783 110 D N -2.228 118.131 120.400 -0.069 0.000 2.340 110 D HA 0.096 4.737 4.640 0.001 0.000 0.220 110 D C 1.435 177.737 176.300 0.004 0.000 1.039 110 D CA 0.544 54.542 54.000 -0.002 0.000 0.866 110 D CB -1.136 39.696 40.800 0.054 0.000 0.913 110 D HN 0.200 nan 8.370 nan 0.000 0.523 111 G N 0.386 109.180 108.800 -0.010 0.000 2.189 111 G HA2 -0.433 3.528 3.960 0.001 0.000 0.267 111 G HA3 -0.433 3.528 3.960 0.001 0.000 0.267 111 G C 1.026 175.947 174.900 0.035 0.000 0.975 111 G CA 0.660 45.827 45.100 0.112 0.000 0.644 111 G HN 0.467 nan 8.290 nan 0.000 0.537 112 Q N -1.518 118.189 119.800 -0.155 0.000 2.245 112 Q HA 0.293 4.634 4.340 0.001 0.000 0.201 112 Q C 0.426 175.939 176.000 -0.812 0.000 0.955 112 Q CA 0.787 56.290 55.803 -0.501 0.000 0.870 112 Q CB 0.233 28.581 28.738 -0.650 0.000 0.945 112 Q HN 0.591 nan 8.270 nan 0.000 0.461 113 F N -0.826 119.079 119.950 -0.076 0.000 2.620 113 F HA 0.540 5.067 4.527 0.001 0.000 0.320 113 F C -0.561 175.346 175.800 0.177 0.000 1.069 113 F CA -1.245 56.789 58.000 0.056 0.000 0.953 113 F CB 1.676 40.737 39.000 0.102 0.000 1.322 113 F HN -0.220 nan 8.300 nan 0.000 0.479 114 I N 2.458 123.386 120.570 0.598 0.000 2.534 114 I HA 0.463 4.633 4.170 0.001 0.000 0.288 114 I C -1.915 174.551 176.117 0.580 0.000 1.077 114 I CA -1.019 60.620 61.300 0.564 0.000 1.051 114 I CB 1.547 39.830 38.000 0.472 0.000 1.234 114 I HN 0.526 nan 8.210 nan 0.000 0.425 115 L N 8.374 129.961 121.223 0.607 0.000 2.281 115 L HA 0.483 4.824 4.340 0.001 0.000 0.285 115 L C -1.267 175.772 176.870 0.281 0.000 1.074 115 L CA 0.070 55.140 54.840 0.382 0.000 0.817 115 L CB 0.898 43.093 42.059 0.228 0.000 1.168 115 L HN 0.508 nan 8.230 nan 0.000 0.434 116 L N 5.281 126.612 121.223 0.180 0.000 2.272 116 L HA 0.470 4.810 4.340 0.001 0.000 0.289 116 L C 0.014 176.972 176.870 0.146 0.000 1.032 116 L CA -0.365 54.492 54.840 0.028 0.000 0.810 116 L CB 1.420 43.273 42.059 -0.342 0.000 1.205 116 L HN 0.632 nan 8.230 nan 0.000 0.422 117 E N 4.014 124.266 120.200 0.086 0.000 2.175 117 E HA 0.453 4.803 4.350 0.001 0.000 0.278 117 E C -1.588 175.032 176.600 0.033 0.000 0.969 117 E CA -0.488 55.848 56.400 -0.106 0.000 0.796 117 E CB 1.121 30.817 29.700 -0.007 0.000 1.104 117 E HN 0.435 nan 8.360 nan 0.000 0.395 118 Y N 1.524 121.673 120.300 -0.251 0.000 2.744 118 Y HA 0.418 4.969 4.550 0.001 0.000 0.330 118 Y C -0.277 175.546 175.900 -0.128 0.000 1.263 118 Y CA -1.599 56.438 58.100 -0.104 0.000 1.065 118 Y CB 0.441 38.913 38.460 0.020 0.000 1.306 118 Y HN 0.519 nan 8.280 nan 0.000 0.459 119 N N -0.315 118.379 118.700 -0.010 0.000 2.735 119 N HA -0.295 4.446 4.740 0.001 0.000 0.248 119 N C -0.982 174.480 175.510 -0.082 0.000 1.083 119 N CA 1.017 54.008 53.050 -0.098 0.000 0.703 119 N CB -1.554 36.754 38.487 -0.300 0.000 1.005 119 N HN 0.860 nan 8.380 nan 0.000 0.550 120 Y N 0.211 120.435 120.300 -0.127 0.000 2.632 120 Y HA 0.255 4.805 4.550 0.001 0.000 0.329 120 Y C 0.036 175.894 175.900 -0.070 0.000 1.174 120 Y CA 0.086 58.113 58.100 -0.123 0.000 1.469 120 Y CB 0.660 39.010 38.460 -0.183 0.000 1.242 120 Y HN -0.008 nan 8.280 nan 0.000 0.540 121 V N 8.147 127.690 119.914 -0.617 0.000 2.419 121 V HA 0.199 4.320 4.120 0.001 0.000 0.287 121 V C -0.262 175.440 176.094 -0.654 0.000 1.017 121 V CA -1.397 60.606 62.300 -0.495 0.000 0.844 121 V CB 1.247 32.926 31.823 -0.240 0.000 1.011 121 V HN 0.750 nan 8.190 nan 0.000 0.429 122 K N 3.614 123.613 120.400 -0.669 0.000 2.382 122 K HA 0.231 4.552 4.320 0.001 0.000 0.275 122 K C 0.391 176.827 176.600 -0.274 0.000 1.009 122 K CA 0.228 56.285 56.287 -0.384 0.000 0.970 122 K CB 1.183 33.646 32.500 -0.062 0.000 0.934 122 K HN 0.813 nan 8.250 nan 0.000 0.479 123 Q N 2.738 122.364 119.800 -0.291 0.000 2.653 123 Q HA 0.179 4.520 4.340 0.001 0.000 0.212 123 Q C -0.016 175.736 176.000 -0.413 0.000 0.951 123 Q CA -0.415 55.021 55.803 -0.611 0.000 0.535 123 Q CB 0.143 28.346 28.738 -0.891 0.000 3.737 123 Q HN 0.729 nan 8.270 nan 0.000 0.401 124 W N 0.236 121.534 121.300 -0.003 0.000 1.756 124 W HA 0.376 5.036 4.660 0.001 0.000 0.638 124 W C 1.867 178.368 176.519 -0.030 0.000 1.472 124 W CA -0.714 56.651 57.345 0.033 0.000 1.437 124 W CB -0.183 29.252 29.460 -0.042 0.000 3.368 124 W HN 0.283 nan 8.180 nan 0.000 0.771 125 R N -0.572 120.013 120.500 0.142 0.000 2.081 125 R HA -0.148 4.193 4.340 0.001 0.000 0.235 125 R C 1.776 177.911 176.300 -0.276 0.000 1.131 125 R CA 1.831 57.834 56.100 -0.160 0.000 0.960 125 R CB -0.413 29.617 30.300 -0.449 0.000 0.856 125 R HN 0.497 nan 8.270 nan 0.000 0.436 126 H N -1.268 117.873 119.070 0.117 0.000 2.788 126 H HA 0.163 4.720 4.556 0.001 0.000 0.262 126 H C 0.690 176.101 175.328 0.138 0.000 0.968 126 H CA 0.451 56.587 56.048 0.148 0.000 1.218 126 H CB 0.263 30.087 29.762 0.104 0.000 1.443 126 H HN 0.151 nan 8.280 nan 0.000 0.478 127 S N 1.262 116.952 115.700 -0.017 0.000 2.593 127 S HA 0.373 4.844 4.470 0.001 0.000 0.269 127 S C -0.295 174.206 174.600 -0.166 0.000 1.334 127 S CA -0.445 57.461 58.200 -0.490 0.000 1.015 127 S CB 0.749 63.126 63.200 -1.371 0.000 0.912 127 S HN 0.471 nan 8.310 nan 0.000 0.541 128 Y N -2.620 117.535 120.300 -0.242 0.000 2.765 128 Y HA 0.590 5.141 4.550 0.001 0.000 0.350 128 Y C -0.910 174.976 175.900 -0.024 0.000 1.196 128 Y CA -0.833 57.136 58.100 -0.217 0.000 1.119 128 Y CB 0.381 38.693 38.460 -0.248 0.000 1.368 128 Y HN 0.943 nan 8.280 nan 0.000 0.463 129 T N 0.091 114.711 114.554 0.110 0.000 2.924 129 T HA 1.033 5.383 4.350 0.001 0.000 0.291 129 T C -0.504 174.280 174.700 0.139 0.000 1.045 129 T CA -0.135 62.043 62.100 0.129 0.000 1.015 129 T CB 1.820 70.711 68.868 0.039 0.000 1.103 129 T HN 1.984 nan 8.240 nan 0.000 0.496 130 A N 0.938 123.815 122.820 0.094 0.000 2.564 130 A HA 0.780 5.101 4.320 0.001 0.000 0.291 130 A C -0.634 176.719 177.584 -0.384 0.000 1.102 130 A CA -0.990 50.946 52.037 -0.168 0.000 0.660 130 A CB 1.004 19.892 19.000 -0.187 0.000 1.283 130 A HN 0.884 nan 8.150 nan 0.000 0.430 131 S N -0.666 114.571 115.700 -0.771 0.000 2.608 131 S HA 0.808 5.279 4.470 0.001 0.000 0.291 131 S C -1.447 172.509 174.600 -1.072 0.000 1.146 131 S CA -0.073 57.612 58.200 -0.858 0.000 1.043 131 S CB 0.665 63.116 63.200 -1.248 0.000 1.037 131 S HN 0.451 nan 8.310 nan 0.000 0.520 132 Y N 0.067 120.193 120.300 -0.290 0.000 2.553 132 Y HA 0.558 5.109 4.550 0.001 0.000 0.347 132 Y C -0.413 175.550 175.900 0.105 0.000 1.019 132 Y CA -0.965 57.104 58.100 -0.053 0.000 1.032 132 Y CB 1.805 40.166 38.460 -0.166 0.000 1.284 132 Y HN 0.474 nan 8.280 nan 0.000 0.466 133 D N 1.599 122.204 120.400 0.342 0.000 2.819 133 D HA 0.540 5.181 4.640 0.001 0.000 0.232 133 D C -1.097 175.332 176.300 0.216 0.000 1.160 133 D CA -0.343 53.823 54.000 0.276 0.000 0.858 133 D CB 2.504 43.537 40.800 0.388 0.000 1.610 133 D HN 0.391 nan 8.370 nan 0.000 0.481 134 I N 1.811 122.503 120.570 0.203 0.000 2.404 134 I HA 0.308 4.479 4.170 0.001 0.000 0.293 134 I C -0.929 175.412 176.117 0.373 0.000 0.992 134 I CA -1.014 60.446 61.300 0.266 0.000 1.149 134 I CB 1.490 39.587 38.000 0.162 0.000 1.315 134 I HN 0.237 nan 8.210 nan 0.000 0.446 135 Y N 5.356 125.849 120.300 0.322 0.000 2.341 135 Y HA 0.297 4.848 4.550 0.001 0.000 0.338 135 Y C -0.226 175.895 175.900 0.368 0.000 0.965 135 Y CA -0.739 57.559 58.100 0.331 0.000 1.108 135 Y CB 1.193 39.891 38.460 0.396 0.000 1.180 135 Y HN 0.498 nan 8.280 nan 0.000 0.458 136 D N 6.208 126.517 120.400 -0.153 0.000 2.339 136 D HA 0.073 4.714 4.640 0.001 0.000 0.256 136 D C 0.701 176.706 176.300 -0.491 0.000 1.214 136 D CA 0.383 54.274 54.000 -0.181 0.000 0.877 136 D CB 1.081 41.812 40.800 -0.116 0.000 1.111 136 D HN 0.890 nan 8.370 nan 0.000 0.478 137 L N 3.773 124.805 121.223 -0.318 0.000 2.217 137 L HA -0.106 4.234 4.340 0.001 0.000 0.211 137 L C 2.050 178.765 176.870 -0.258 0.000 1.107 137 L CA 0.379 55.103 54.840 -0.193 0.000 0.783 137 L CB -0.194 41.777 42.059 -0.146 0.000 0.919 137 L HN 0.375 nan 8.230 nan 0.000 0.442 138 N N 1.158 119.665 118.700 -0.322 0.000 2.109 138 N HA -0.159 4.581 4.740 0.001 0.000 0.188 138 N C 1.583 176.973 175.510 -0.200 0.000 1.034 138 N CA 1.297 54.200 53.050 -0.245 0.000 0.846 138 N CB -0.206 38.132 38.487 -0.249 0.000 1.010 138 N HN 0.421 nan 8.380 nan 0.000 0.425 139 K N 1.189 121.461 120.400 -0.213 0.000 2.505 139 K HA 0.142 4.463 4.320 0.001 0.000 0.192 139 K C -0.278 176.200 176.600 -0.204 0.000 1.025 139 K CA -0.132 56.056 56.287 -0.166 0.000 1.086 139 K CB 0.311 32.737 32.500 -0.125 0.000 0.840 139 K HN -0.185 nan 8.250 nan 0.000 0.514 140 R N 1.006 121.337 120.500 -0.280 0.000 3.301 140 R HA -0.208 4.132 4.340 0.001 0.000 0.249 140 R C -0.938 175.153 176.300 -0.349 0.000 0.964 140 R CA 0.920 56.857 56.100 -0.271 0.000 0.653 140 R CB -2.408 27.855 30.300 -0.063 0.000 1.043 140 R HN 0.732 nan 8.270 nan 0.000 0.454 141 Q N -0.115 119.302 119.800 -0.639 0.000 2.331 141 Q HA 0.436 4.776 4.340 0.001 0.000 0.272 141 Q C -1.030 174.790 176.000 -0.301 0.000 1.062 141 Q CA -1.053 54.566 55.803 -0.307 0.000 0.806 141 Q CB 1.824 30.491 28.738 -0.118 0.000 1.312 141 Q HN 0.157 nan 8.270 nan 0.000 0.431 142 L N 3.770 125.084 121.223 0.152 0.000 2.416 142 L HA 0.311 4.652 4.340 0.001 0.000 0.272 142 L C -0.668 176.309 176.870 0.179 0.000 1.161 142 L CA 0.537 55.589 54.840 0.353 0.000 0.845 142 L CB 0.569 42.910 42.059 0.469 0.000 1.119 142 L HN 0.596 nan 8.230 nan 0.000 0.464 143 I N 4.249 124.926 120.570 0.178 0.000 2.416 143 I HA 0.108 4.279 4.170 0.001 0.000 0.288 143 I C 0.988 177.162 176.117 0.096 0.000 1.051 143 I CA 0.183 61.549 61.300 0.109 0.000 1.375 143 I CB 1.007 39.060 38.000 0.089 0.000 1.407 143 I HN 0.827 nan 8.210 nan 0.000 0.516 144 T N 0.718 115.309 114.554 0.062 0.000 2.985 144 T HA 0.236 4.587 4.350 0.001 0.000 0.254 144 T C 0.485 175.192 174.700 0.013 0.000 1.021 144 T CA -0.303 61.824 62.100 0.045 0.000 0.957 144 T CB 0.093 68.987 68.868 0.043 0.000 1.047 144 T HN 0.500 nan 8.240 nan 0.000 0.511 145 E N 2.070 122.272 120.200 0.003 0.000 2.231 145 E HA 0.327 4.678 4.350 0.001 0.000 0.277 145 E C -0.410 176.167 176.600 -0.039 0.000 0.999 145 E CA -0.783 55.606 56.400 -0.017 0.000 0.827 145 E CB 0.685 30.377 29.700 -0.013 0.000 1.101 145 E HN 0.101 nan 8.360 nan 0.000 0.393 146 E N 1.097 121.261 120.200 -0.059 0.000 2.360 146 E HA -0.233 4.117 4.350 0.001 0.000 0.238 146 E C -0.549 175.981 176.600 -0.116 0.000 1.186 146 E CA 0.739 57.087 56.400 -0.088 0.000 0.719 146 E CB -1.630 28.026 29.700 -0.074 0.000 1.236 146 E HN 0.568 nan 8.360 nan 0.000 0.386 147 R N -0.238 120.189 120.500 -0.120 0.000 2.641 147 R HA 0.448 4.789 4.340 0.001 0.000 0.269 147 R C 1.064 177.195 176.300 -0.281 0.000 1.074 147 R CA -0.609 55.403 56.100 -0.148 0.000 1.133 147 R CB 0.591 30.843 30.300 -0.080 0.000 1.029 147 R HN 0.022 nan 8.270 nan 0.000 0.488 148 I N 2.696 123.050 120.570 -0.360 0.000 2.775 148 I HA -0.026 4.145 4.170 0.001 0.000 0.290 148 I C -1.653 174.138 176.117 -0.543 0.000 1.203 148 I CA -1.384 59.521 61.300 -0.658 0.000 1.433 148 I CB 0.139 37.760 38.000 -0.632 0.000 1.354 148 I HN 0.414 nan 8.210 nan 0.000 0.579 149 P HA 0.060 nan 4.420 nan 0.000 0.271 149 P C -0.677 176.412 177.300 -0.351 0.000 1.244 149 P CA -0.336 62.357 63.100 -0.678 0.000 0.793 149 P CB 0.418 31.241 31.700 -1.462 0.000 0.984 150 N N 1.727 120.322 118.700 -0.175 0.000 2.483 150 N HA 0.078 4.819 4.740 0.001 0.000 0.269 150 N C 0.201 175.784 175.510 0.120 0.000 1.209 150 N CA -0.024 52.984 53.050 -0.069 0.000 0.969 150 N CB 0.046 38.495 38.487 -0.063 0.000 1.173 150 N HN 0.424 nan 8.380 nan 0.000 0.475 151 N N -0.532 118.206 118.700 0.064 0.000 2.776 151 N HA -0.147 4.594 4.740 0.001 0.000 0.250 151 N C -0.782 174.884 175.510 0.260 0.000 1.112 151 N CA 0.698 53.825 53.050 0.127 0.000 0.733 151 N CB -1.658 36.906 38.487 0.128 0.000 1.097 151 N HN 0.481 nan 8.380 nan 0.000 0.558 152 T N 0.936 115.650 114.554 0.265 0.000 2.870 152 T HA 0.089 4.440 4.350 0.001 0.000 0.300 152 T C 1.727 176.585 174.700 0.264 0.000 0.989 152 T CA 0.129 62.417 62.100 0.312 0.000 1.139 152 T CB 1.130 70.091 68.868 0.155 0.000 0.920 152 T HN 0.165 nan 8.240 nan 0.000 0.537 153 Q N 1.836 121.779 119.800 0.240 0.000 2.269 153 Q HA 0.129 4.470 4.340 0.001 0.000 0.201 153 Q C 0.188 176.338 176.000 0.250 0.000 0.946 153 Q CA 0.522 56.467 55.803 0.238 0.000 0.877 153 Q CB 0.640 29.468 28.738 0.150 0.000 0.963 153 Q HN 0.710 nan 8.270 nan 0.000 0.472 154 W N -0.631 120.624 121.300 -0.075 0.000 3.464 154 W HA 0.462 5.123 4.660 0.001 0.000 0.292 154 W C -2.395 174.025 176.519 -0.166 0.000 1.262 154 W CA -0.709 56.540 57.345 -0.160 0.000 1.202 154 W CB 1.002 30.303 29.460 -0.264 0.000 1.334 154 W HN -0.289 nan 8.180 nan 0.000 0.561 155 V N 4.116 123.310 119.914 -1.200 0.000 3.012 155 V HA 0.830 4.951 4.120 0.001 0.000 0.307 155 V C -1.633 173.794 176.094 -1.112 0.000 1.166 155 V CA -0.084 61.650 62.300 -0.943 0.000 0.974 155 V CB 2.306 33.523 31.823 -1.010 0.000 1.040 155 V HN 0.643 nan 8.190 nan 0.000 0.428 156 T N 5.284 119.511 114.554 -0.544 0.000 3.193 156 T HA 0.475 4.826 4.350 0.001 0.000 0.332 156 T C -1.323 173.413 174.700 0.059 0.000 1.208 156 T CA -0.296 61.675 62.100 -0.215 0.000 1.080 156 T CB 0.726 69.672 68.868 0.130 0.000 1.180 156 T HN 0.722 nan 8.240 nan 0.000 0.469 157 W N 3.196 124.533 121.300 0.062 0.000 2.126 157 W HA 0.438 5.099 4.660 0.001 0.000 0.346 157 W C 1.274 177.687 176.519 -0.177 0.000 1.279 157 W CA -0.502 56.845 57.345 0.003 0.000 1.259 157 W CB 0.581 30.038 29.460 -0.005 0.000 1.133 157 W HN 0.784 nan 8.180 nan 0.000 0.592 158 S N 1.827 117.333 115.700 -0.323 0.000 2.600 158 S HA 0.133 4.604 4.470 0.001 0.000 0.265 158 S C -1.460 172.867 174.600 -0.455 0.000 1.325 158 S CA -1.028 56.400 58.200 -1.287 0.000 1.002 158 S CB 0.872 63.217 63.200 -1.425 0.000 0.921 158 S HN 0.400 nan 8.310 nan 0.000 0.554 159 P HA 0.052 nan 4.420 nan 0.000 0.222 159 P C -0.023 177.226 177.300 -0.086 0.000 1.147 159 P CA 0.674 63.723 63.100 -0.085 0.000 0.790 159 P CB 0.044 31.740 31.700 -0.007 0.000 0.780 160 V N -1.312 118.502 119.914 -0.166 0.000 2.876 160 V HA 0.623 4.744 4.120 0.001 0.000 0.312 160 V C 0.793 176.781 176.094 -0.177 0.000 1.085 160 V CA 0.174 62.398 62.300 -0.126 0.000 0.945 160 V CB 1.134 32.894 31.823 -0.104 0.000 1.017 160 V HN 0.456 nan 8.190 nan 0.000 0.428 161 G N 3.047 111.768 108.800 -0.132 0.000 2.509 161 G HA2 -0.205 3.756 3.960 0.001 0.000 0.259 161 G HA3 -0.205 3.756 3.960 0.001 0.000 0.259 161 G C 0.125 174.951 174.900 -0.124 0.000 1.169 161 G CA 0.569 45.564 45.100 -0.175 0.000 0.953 161 G HN 1.816 nan 8.290 nan 0.000 0.563 162 H N -0.368 118.702 119.070 0.001 0.000 3.064 162 H HA 0.422 4.979 4.556 0.001 0.000 0.232 162 H C 0.295 175.804 175.328 0.302 0.000 1.308 162 H CA -0.107 56.010 56.048 0.115 0.000 1.010 162 H CB -0.272 29.581 29.762 0.152 0.000 2.408 162 H HN 0.539 nan 8.280 nan 0.000 0.599 163 K N 1.417 121.862 120.400 0.074 0.000 2.138 163 K HA 0.549 4.870 4.320 0.001 0.000 0.251 163 K C -0.364 176.373 176.600 0.228 0.000 1.015 163 K CA -0.470 55.871 56.287 0.089 0.000 0.917 163 K CB 1.547 33.964 32.500 -0.138 0.000 1.021 163 K HN 0.102 nan 8.250 nan 0.000 0.485 164 L N 0.523 121.894 121.223 0.247 0.000 2.422 164 L HA 0.576 4.916 4.340 0.001 0.000 0.264 164 L C -1.186 175.885 176.870 0.334 0.000 0.984 164 L CA -0.853 54.088 54.840 0.169 0.000 0.819 164 L CB 2.225 44.224 42.059 -0.101 0.000 1.330 164 L HN 0.714 nan 8.230 nan 0.000 0.410 165 A N 2.449 125.438 122.820 0.281 0.000 2.374 165 A HA 0.819 5.140 4.320 0.001 0.000 0.305 165 A C -1.629 175.952 177.584 -0.004 0.000 1.053 165 A CA -0.378 51.693 52.037 0.057 0.000 0.726 165 A CB 1.162 20.075 19.000 -0.145 0.000 1.229 165 A HN 0.650 nan 8.150 nan 0.000 0.431 166 Y N -0.413 119.828 120.300 -0.099 0.000 2.615 166 Y HA 0.804 5.354 4.550 0.001 0.000 0.341 166 Y C -1.149 174.756 175.900 0.008 0.000 1.089 166 Y CA -1.560 56.463 58.100 -0.128 0.000 1.049 166 Y CB 1.179 39.497 38.460 -0.236 0.000 1.296 166 Y HN 0.407 nan 8.280 nan 0.000 0.470 167 V N 1.791 121.837 119.914 0.219 0.000 2.555 167 V HA 0.445 4.566 4.120 0.001 0.000 0.302 167 V C -1.493 174.826 176.094 0.375 0.000 1.038 167 V CA -0.671 61.741 62.300 0.186 0.000 0.887 167 V CB 1.613 33.460 31.823 0.040 0.000 0.991 167 V HN 0.892 nan 8.190 nan 0.000 0.434 168 W N 4.398 125.784 121.300 0.144 0.000 3.405 168 W HA 0.446 5.106 4.660 0.001 0.000 0.329 168 W C 0.146 176.707 176.519 0.071 0.000 1.142 168 W CA -0.709 56.688 57.345 0.087 0.000 1.235 168 W CB 1.216 30.689 29.460 0.023 0.000 1.341 168 W HN 0.781 nan 8.180 nan 0.000 0.481 169 N N 5.500 123.883 118.700 -0.527 0.000 2.727 169 N HA -0.344 4.397 4.740 0.001 0.000 0.249 169 N C 0.141 175.507 175.510 -0.240 0.000 1.048 169 N CA 1.045 53.775 53.050 -0.533 0.000 0.714 169 N CB -1.066 36.900 38.487 -0.870 0.000 0.959 169 N HN 0.830 nan 8.380 nan 0.000 0.544 170 N N -1.767 116.849 118.700 -0.140 0.000 2.800 170 N HA -0.173 4.568 4.740 0.001 0.000 0.250 170 N C -1.279 174.175 175.510 -0.094 0.000 1.078 170 N CA 1.060 54.046 53.050 -0.107 0.000 0.804 170 N CB -0.352 38.028 38.487 -0.179 0.000 1.135 170 N HN 0.439 nan 8.380 nan 0.000 0.565 171 D N 0.422 120.785 120.400 -0.061 0.000 2.433 171 D HA 0.496 5.137 4.640 0.001 0.000 0.236 171 D C 0.092 176.266 176.300 -0.210 0.000 1.026 171 D CA -0.391 53.501 54.000 -0.180 0.000 0.884 171 D CB 1.666 42.315 40.800 -0.252 0.000 1.384 171 D HN 0.015 nan 8.370 nan 0.000 0.477 172 I N 1.761 122.038 120.570 -0.489 0.000 2.396 172 I HA 0.239 4.410 4.170 0.001 0.000 0.292 172 I C -0.707 174.952 176.117 -0.762 0.000 0.999 172 I CA -0.423 60.562 61.300 -0.525 0.000 1.310 172 I CB 0.574 38.166 38.000 -0.681 0.000 1.404 172 I HN 0.159 nan 8.210 nan 0.000 0.496 173 Y N 4.122 124.037 120.300 -0.640 0.000 2.512 173 Y HA 0.637 5.188 4.550 0.001 0.000 0.348 173 Y C -0.317 175.212 175.900 -0.620 0.000 0.990 173 Y CA -0.915 56.757 58.100 -0.713 0.000 1.033 173 Y CB 2.032 39.797 38.460 -1.158 0.000 1.259 173 Y HN 0.115 nan 8.280 nan 0.000 0.461 174 V N 2.545 122.370 119.914 -0.147 0.000 2.735 174 V HA 0.510 4.631 4.120 0.001 0.000 0.310 174 V C -0.922 175.292 176.094 0.200 0.000 1.061 174 V CA -1.406 60.910 62.300 0.027 0.000 0.913 174 V CB 2.198 34.056 31.823 0.057 0.000 1.005 174 V HN 0.618 nan 8.190 nan 0.000 0.428 175 K N 3.898 124.431 120.400 0.222 0.000 2.535 175 K HA 0.478 4.799 4.320 0.001 0.000 0.253 175 K C 0.344 177.078 176.600 0.222 0.000 0.953 175 K CA -0.693 55.723 56.287 0.216 0.000 0.863 175 K CB 1.651 34.239 32.500 0.148 0.000 1.111 175 K HN 0.427 nan 8.250 nan 0.000 0.431 176 I N 1.130 121.853 120.570 0.254 0.000 2.315 176 I HA -0.100 4.071 4.170 0.001 0.000 0.248 176 I C 0.394 176.622 176.117 0.185 0.000 1.117 176 I CA 1.492 62.909 61.300 0.195 0.000 1.404 176 I CB -0.419 37.703 38.000 0.203 0.000 1.071 176 I HN 0.547 nan 8.210 nan 0.000 0.419 177 E N -0.456 119.841 120.200 0.162 0.000 2.293 177 E HA 0.292 4.643 4.350 0.001 0.000 0.270 177 E C -1.930 174.670 176.600 -0.000 0.000 0.879 177 E CA -2.032 54.443 56.400 0.124 0.000 0.756 177 E CB 1.826 31.589 29.700 0.105 0.000 1.208 177 E HN -0.169 nan 8.360 nan 0.000 0.428 178 P HA -0.180 nan 4.420 nan 0.000 0.217 178 P C 0.748 177.974 177.300 -0.123 0.000 1.148 178 P CA 1.589 64.557 63.100 -0.221 0.000 0.828 178 P CB 0.191 31.560 31.700 -0.552 0.000 0.783 179 N N -1.950 116.696 118.700 -0.090 0.000 2.353 179 N HA 0.041 4.782 4.740 0.001 0.000 0.185 179 N C 0.374 175.868 175.510 -0.027 0.000 1.098 179 N CA -0.060 52.967 53.050 -0.039 0.000 0.872 179 N CB -0.270 38.212 38.487 -0.009 0.000 0.970 179 N HN 0.083 nan 8.380 nan 0.000 0.467 180 L N 1.067 122.278 121.223 -0.020 0.000 2.399 180 L HA 0.476 4.817 4.340 0.001 0.000 0.265 180 L C -2.003 174.834 176.870 -0.055 0.000 1.089 180 L CA -2.470 52.356 54.840 -0.023 0.000 0.802 180 L CB 0.811 42.875 42.059 0.008 0.000 1.180 180 L HN -0.035 nan 8.230 nan 0.000 0.454 181 P HA 0.034 nan 4.420 nan 0.000 0.269 181 P C -0.789 176.386 177.300 -0.209 0.000 1.209 181 P CA -0.307 62.709 63.100 -0.140 0.000 0.776 181 P CB 0.893 32.499 31.700 -0.157 0.000 0.876 182 S N 1.820 117.443 115.700 -0.129 0.000 2.632 182 S HA 0.408 4.879 4.470 0.001 0.000 0.271 182 S C -0.675 173.831 174.600 -0.155 0.000 1.260 182 S CA -0.481 57.681 58.200 -0.062 0.000 1.010 182 S CB 0.152 63.418 63.200 0.109 0.000 0.965 182 S HN 0.319 nan 8.310 nan 0.000 0.534 183 Y N 0.336 120.648 120.300 0.021 0.000 2.328 183 Y HA 0.435 4.986 4.550 0.001 0.000 0.337 183 Y C 1.080 176.878 175.900 -0.170 0.000 1.008 183 Y CA -0.913 57.173 58.100 -0.023 0.000 1.129 183 Y CB 0.915 39.363 38.460 -0.020 0.000 1.185 183 Y HN 0.500 nan 8.280 nan 0.000 0.476 184 R N 3.553 123.971 120.500 -0.137 0.000 2.401 184 R HA 0.129 4.470 4.340 0.001 0.000 0.299 184 R C 0.275 176.284 176.300 -0.485 0.000 1.064 184 R CA 0.238 55.917 56.100 -0.702 0.000 1.000 184 R CB 0.576 30.262 30.300 -1.022 0.000 0.973 184 R HN 0.790 nan 8.270 nan 0.000 0.438 185 I N 1.316 121.500 120.570 -0.644 0.000 2.927 185 I HA -0.035 4.136 4.170 0.001 0.000 0.268 185 I C 1.233 177.119 176.117 -0.384 0.000 1.153 185 I CA 1.024 62.080 61.300 -0.406 0.000 1.459 185 I CB -0.388 37.330 38.000 -0.470 0.000 1.149 185 I HN 0.519 nan 8.210 nan 0.000 0.443 186 T N -3.795 110.401 114.554 -0.597 0.000 2.908 186 T HA 0.409 4.760 4.350 0.001 0.000 0.290 186 T C -0.568 173.835 174.700 -0.494 0.000 1.034 186 T CA -0.490 61.376 62.100 -0.390 0.000 1.010 186 T CB 2.034 70.666 68.868 -0.393 0.000 1.068 186 T HN 0.173 nan 8.240 nan 0.000 0.481 187 W N 0.034 121.226 121.300 -0.180 0.000 2.534 187 W HA 0.217 4.878 4.660 0.001 0.000 0.339 187 W C 1.992 178.460 176.519 -0.084 0.000 0.961 187 W CA -0.048 57.226 57.345 -0.118 0.000 1.545 187 W CB 0.210 29.618 29.460 -0.086 0.000 1.104 187 W HN 0.909 nan 8.180 nan 0.000 0.538 188 T N -2.428 112.177 114.554 0.084 0.000 3.100 188 T HA 0.226 4.576 4.350 0.001 0.000 0.253 188 T C 1.343 176.046 174.700 0.006 0.000 1.118 188 T CA 0.304 62.434 62.100 0.051 0.000 1.058 188 T CB -0.319 68.576 68.868 0.044 0.000 0.953 188 T HN 0.024 nan 8.240 nan 0.000 0.515 189 G N 1.423 110.198 108.800 -0.041 0.000 2.178 189 G HA2 0.269 4.230 3.960 0.001 0.000 0.244 189 G HA3 0.269 4.230 3.960 0.001 0.000 0.244 189 G C -0.525 174.324 174.900 -0.085 0.000 1.213 189 G CA -0.288 44.765 45.100 -0.078 0.000 0.912 189 G HN 0.578 nan 8.290 nan 0.000 0.474 190 K N 2.235 122.563 120.400 -0.119 0.000 2.619 190 K HA 0.153 4.474 4.320 0.001 0.000 0.251 190 K C -0.064 176.419 176.600 -0.195 0.000 0.987 190 K CA -0.652 55.563 56.287 -0.120 0.000 0.844 190 K CB 1.380 33.846 32.500 -0.058 0.000 1.237 190 K HN 0.619 nan 8.250 nan 0.000 0.447 191 E N 3.097 123.184 120.200 -0.188 0.000 2.765 191 E HA -0.172 4.179 4.350 0.001 0.000 0.256 191 E C -0.543 175.956 176.600 -0.168 0.000 0.935 191 E CA 1.161 57.441 56.400 -0.200 0.000 0.954 191 E CB 0.255 29.878 29.700 -0.130 0.000 0.908 191 E HN 0.664 nan 8.360 nan 0.000 0.500 192 D N 2.432 122.702 120.400 -0.217 0.000 3.059 192 D HA -0.244 4.397 4.640 0.001 0.000 0.213 192 D C 0.549 176.884 176.300 0.058 0.000 1.144 192 D CA 1.258 55.257 54.000 -0.002 0.000 0.975 192 D CB -0.457 40.390 40.800 0.078 0.000 1.125 192 D HN 0.416 nan 8.370 nan 0.000 0.412 193 I N -1.131 119.394 120.570 -0.076 0.000 3.669 193 I HA 0.093 4.264 4.170 0.001 0.000 0.255 193 I C 0.720 176.921 176.117 0.141 0.000 1.144 193 I CA 0.341 61.688 61.300 0.078 0.000 1.447 193 I CB 0.217 38.237 38.000 0.035 0.000 1.622 193 I HN -0.142 nan 8.210 nan 0.000 0.435 194 I N 1.870 122.441 120.570 0.001 0.000 2.362 194 I HA 0.275 4.446 4.170 0.001 0.000 0.289 194 I C -1.258 174.883 176.117 0.039 0.000 0.994 194 I CA -0.511 60.857 61.300 0.113 0.000 1.158 194 I CB 0.915 38.956 38.000 0.069 0.000 1.315 194 I HN 0.043 nan 8.210 nan 0.000 0.451 195 Y N 4.639 125.035 120.300 0.161 0.000 2.328 195 Y HA 0.400 4.951 4.550 0.001 0.000 0.333 195 Y C 0.355 176.327 175.900 0.120 0.000 0.958 195 Y CA -0.848 57.348 58.100 0.160 0.000 1.167 195 Y CB 1.074 39.701 38.460 0.277 0.000 1.151 195 Y HN 0.412 nan 8.280 nan 0.000 0.470 196 N N 2.156 120.936 118.700 0.133 0.000 2.444 196 N HA 0.355 5.096 4.740 0.001 0.000 0.262 196 N C 0.854 176.320 175.510 -0.073 0.000 0.974 196 N CA 0.440 53.502 53.050 0.019 0.000 0.933 196 N CB 1.869 40.273 38.487 -0.138 0.000 1.137 196 N HN 0.977 nan 8.380 nan 0.000 0.498 197 G N 1.582 110.353 108.800 -0.048 0.000 2.179 197 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 197 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 197 G C 0.123 174.874 174.900 -0.248 0.000 0.977 197 G CA 0.776 45.767 45.100 -0.181 0.000 0.641 197 G HN 0.669 nan 8.290 nan 0.000 0.533 198 I N -1.939 118.559 120.570 -0.120 0.000 2.865 198 I HA 0.816 4.987 4.170 0.001 0.000 0.302 198 I C 0.216 176.364 176.117 0.053 0.000 1.140 198 I CA -0.650 60.489 61.300 -0.269 0.000 1.021 198 I CB 2.064 39.736 38.000 -0.546 0.000 1.233 198 I HN 0.181 nan 8.210 nan 0.000 0.427 199 T N -0.391 114.126 114.554 -0.063 0.000 2.918 199 T HA 0.395 4.746 4.350 0.001 0.000 0.283 199 T C -0.184 174.328 174.700 -0.313 0.000 1.001 199 T CA -0.660 61.258 62.100 -0.303 0.000 1.041 199 T CB 1.359 70.126 68.868 -0.167 0.000 1.028 199 T HN 0.770 nan 8.240 nan 0.000 0.511 200 D N 0.457 120.393 120.400 -0.774 0.000 2.447 200 D HA 0.023 4.664 4.640 0.001 0.000 0.265 200 D C 0.982 177.226 176.300 -0.094 0.000 1.250 200 D CA -1.052 52.523 54.000 -0.708 0.000 1.046 200 D CB 0.159 40.470 40.800 -0.815 0.000 1.095 200 D HN 0.711 nan 8.370 nan 0.000 0.555 201 W N 0.174 121.446 121.300 -0.047 0.000 2.317 201 W HA -0.234 4.426 4.660 0.001 0.000 0.318 201 W C 2.213 178.649 176.519 -0.139 0.000 1.227 201 W CA 2.413 59.722 57.345 -0.061 0.000 1.269 201 W CB -0.494 28.870 29.460 -0.161 0.000 1.155 201 W HN 0.189 nan 8.180 nan 0.000 0.484 202 V N -0.212 119.813 119.914 0.186 0.000 2.427 202 V HA -0.293 3.828 4.120 0.001 0.000 0.248 202 V C 1.871 177.834 176.094 -0.218 0.000 1.051 202 V CA 2.003 64.294 62.300 -0.014 0.000 1.048 202 V CB -0.742 31.065 31.823 -0.027 0.000 0.666 202 V HN 0.304 nan 8.190 nan 0.000 0.456 203 Y N 0.534 120.677 120.300 -0.261 0.000 2.293 203 Y HA -0.157 4.394 4.550 0.001 0.000 0.291 203 Y C 2.568 178.380 175.900 -0.148 0.000 1.137 203 Y CA 2.050 60.002 58.100 -0.248 0.000 1.202 203 Y CB -0.003 38.178 38.460 -0.465 0.000 0.990 203 Y HN 0.386 nan 8.280 nan 0.000 0.537 204 E N 0.273 120.447 120.200 -0.042 0.000 2.028 204 E HA -0.278 4.073 4.350 0.001 0.000 0.191 204 E C 2.009 178.574 176.600 -0.057 0.000 0.988 204 E CA 1.508 57.907 56.400 -0.002 0.000 0.799 204 E CB 0.017 29.707 29.700 -0.016 0.000 0.755 204 E HN 0.395 nan 8.360 nan 0.000 0.447 205 E N 0.323 120.303 120.200 -0.368 0.000 2.046 205 E HA -0.148 4.203 4.350 0.001 0.000 0.190 205 E C 1.630 178.115 176.600 -0.191 0.000 0.982 205 E CA 1.518 57.681 56.400 -0.396 0.000 0.800 205 E CB 0.151 29.259 29.700 -0.986 0.000 0.756 205 E HN 0.222 nan 8.360 nan 0.000 0.449 206 E N -0.743 119.322 120.200 -0.226 0.000 2.460 206 E HA 0.092 4.442 4.350 0.001 0.000 0.200 206 E C 1.600 178.059 176.600 -0.235 0.000 1.011 206 E CA 0.307 56.612 56.400 -0.158 0.000 0.912 206 E CB 1.113 30.715 29.700 -0.162 0.000 0.953 206 E HN 0.202 nan 8.360 nan 0.000 0.494 207 V N -0.604 119.127 119.914 -0.305 0.000 2.840 207 V HA 0.060 4.181 4.120 0.001 0.000 0.234 207 V C 1.363 177.202 176.094 -0.426 0.000 1.159 207 V CA 0.588 62.613 62.300 -0.459 0.000 1.194 207 V CB -0.221 31.177 31.823 -0.707 0.000 0.971 207 V HN 0.017 nan 8.190 nan 0.000 0.494 208 F N 0.593 120.559 119.950 0.027 0.000 2.746 208 F HA 0.300 4.828 4.527 0.001 0.000 0.297 208 F C 1.563 177.324 175.800 -0.064 0.000 1.113 208 F CA 0.295 58.323 58.000 0.046 0.000 1.367 208 F CB -0.204 38.870 39.000 0.124 0.000 1.111 208 F HN 0.058 nan 8.300 nan 0.000 0.590 209 S N 0.564 116.273 115.700 0.014 0.000 3.614 209 S HA 0.012 4.483 4.470 0.001 0.000 0.360 209 S C 0.027 174.176 174.600 -0.751 0.000 1.023 209 S CA 0.424 58.492 58.200 -0.219 0.000 1.114 209 S CB -1.636 61.506 63.200 -0.097 0.000 0.907 209 S HN 0.670 nan 8.310 nan 0.000 0.470 210 A N -0.543 122.057 122.820 -0.367 0.000 2.597 210 A HA 0.663 4.984 4.320 0.001 0.000 0.292 210 A C -0.346 177.202 177.584 -0.061 0.000 1.057 210 A CA -0.462 51.397 52.037 -0.298 0.000 0.674 210 A CB 0.260 19.125 19.000 -0.224 0.000 1.278 210 A HN 0.354 nan 8.150 nan 0.000 0.416 211 Y N 1.789 121.924 120.300 -0.276 0.000 2.397 211 Y HA 0.140 4.691 4.550 0.001 0.000 0.292 211 Y C 1.586 177.185 175.900 -0.502 0.000 1.115 211 Y CA 0.807 58.749 58.100 -0.263 0.000 1.208 211 Y CB -0.062 38.286 38.460 -0.186 0.000 1.046 211 Y HN 0.791 nan 8.280 nan 0.000 0.552 212 S N 0.597 115.747 115.700 -0.917 0.000 2.564 212 S HA 0.499 4.970 4.470 0.001 0.000 0.278 212 S C 0.295 174.342 174.600 -0.921 0.000 1.333 212 S CA -0.109 57.311 58.200 -1.299 0.000 1.048 212 S CB 1.401 63.423 63.200 -1.964 0.000 0.900 212 S HN 0.454 nan 8.310 nan 0.000 0.505 213 A N 3.382 125.657 122.820 -0.908 0.000 2.806 213 A HA 0.548 4.869 4.320 0.001 0.000 0.266 213 A C -0.404 176.447 177.584 -1.221 0.000 0.926 213 A CA -0.599 50.812 52.037 -1.043 0.000 1.068 213 A CB -0.059 18.778 19.000 -0.271 0.000 1.189 213 A HN 0.783 nan 8.150 nan 0.000 0.481 214 L N 0.316 120.722 121.223 -1.362 0.000 2.386 214 L HA 0.624 4.965 4.340 0.001 0.000 0.271 214 L C -1.145 175.229 176.870 -0.827 0.000 0.993 214 L CA -0.579 53.793 54.840 -0.780 0.000 0.819 214 L CB 1.974 43.795 42.059 -0.398 0.000 1.294 214 L HN 0.458 nan 8.230 nan 0.000 0.414 215 W N 2.420 123.762 121.300 0.070 0.000 2.664 215 W HA 0.210 4.871 4.660 0.001 0.000 0.314 215 W C -1.076 175.695 176.519 0.420 0.000 1.010 215 W CA -1.096 56.417 57.345 0.280 0.000 1.306 215 W CB 1.119 30.781 29.460 0.337 0.000 1.254 215 W HN 0.503 nan 8.180 nan 0.000 0.404 216 W N 2.556 124.075 121.300 0.365 0.000 2.181 216 W HA 0.177 4.838 4.660 0.001 0.000 0.335 216 W C 1.404 177.761 176.519 -0.269 0.000 1.310 216 W CA 0.452 57.870 57.345 0.122 0.000 1.226 216 W CB 0.764 30.266 29.460 0.071 0.000 1.155 216 W HN 0.176 nan 8.180 nan 0.000 0.565 217 S N 2.537 117.999 115.700 -0.397 0.000 2.600 217 S HA 0.166 4.637 4.470 0.001 0.000 0.265 217 S C -1.766 172.550 174.600 -0.473 0.000 1.325 217 S CA -1.029 56.345 58.200 -1.376 0.000 1.002 217 S CB 0.936 63.443 63.200 -1.156 0.000 0.921 217 S HN 0.288 nan 8.310 nan 0.000 0.554 218 P HA -0.167 nan 4.420 nan 0.000 0.216 218 P C 0.787 178.041 177.300 -0.076 0.000 1.154 218 P CA 1.721 64.772 63.100 -0.082 0.000 0.865 218 P CB -0.205 31.498 31.700 0.005 0.000 0.789 219 N N -2.377 116.260 118.700 -0.104 0.000 2.235 219 N HA 0.161 4.902 4.740 0.001 0.000 0.209 219 N C 1.065 176.478 175.510 -0.161 0.000 1.122 219 N CA 0.376 53.364 53.050 -0.105 0.000 0.845 219 N CB -0.575 37.868 38.487 -0.073 0.000 1.004 219 N HN 0.175 nan 8.380 nan 0.000 0.499 220 G N -0.875 107.823 108.800 -0.171 0.000 2.179 220 G HA2 -0.360 3.601 3.960 0.001 0.000 0.260 220 G HA3 -0.360 3.601 3.960 0.001 0.000 0.260 220 G C 1.036 175.921 174.900 -0.026 0.000 0.977 220 G CA 0.770 45.743 45.100 -0.212 0.000 0.641 220 G HN 0.369 nan 8.290 nan 0.000 0.533 221 T N 0.137 114.623 114.554 -0.114 0.000 2.674 221 T HA 0.164 4.515 4.350 0.001 0.000 0.265 221 T C 0.914 175.476 174.700 -0.230 0.000 1.039 221 T CA 1.458 63.406 62.100 -0.253 0.000 1.150 221 T CB -0.110 68.469 68.868 -0.481 0.000 0.864 221 T HN 0.294 nan 8.240 nan 0.000 0.427 222 F N 0.039 120.018 119.950 0.048 0.000 2.440 222 F HA 0.645 5.173 4.527 0.001 0.000 0.328 222 F C -0.207 175.687 175.800 0.158 0.000 1.070 222 F CA -1.620 56.450 58.000 0.116 0.000 1.011 222 F CB 1.181 40.297 39.000 0.192 0.000 1.226 222 F HN -0.104 nan 8.300 nan 0.000 0.491 223 L N 2.345 123.762 121.223 0.322 0.000 2.415 223 L HA 0.781 5.122 4.340 0.001 0.000 0.268 223 L C -0.776 176.204 176.870 0.182 0.000 0.984 223 L CA -0.406 54.450 54.840 0.025 0.000 0.853 223 L CB 0.820 42.593 42.059 -0.477 0.000 1.215 223 L HN 0.656 nan 8.230 nan 0.000 0.419 224 A N 4.378 127.387 122.820 0.316 0.000 2.304 224 A HA 0.801 5.122 4.320 0.001 0.000 0.301 224 A C -1.327 176.366 177.584 0.182 0.000 1.132 224 A CA -0.164 51.929 52.037 0.092 0.000 0.819 224 A CB 0.566 19.655 19.000 0.149 0.000 1.094 224 A HN 0.932 nan 8.150 nan 0.000 0.492 225 Y N -2.046 118.090 120.300 -0.273 0.000 2.624 225 Y HA 0.743 5.294 4.550 0.001 0.000 0.334 225 Y C -0.382 175.431 175.900 -0.146 0.000 1.155 225 Y CA -0.910 57.127 58.100 -0.105 0.000 1.046 225 Y CB 0.798 39.142 38.460 -0.193 0.000 1.316 225 Y HN 0.942 nan 8.280 nan 0.000 0.457 226 A N 1.962 124.878 122.820 0.161 0.000 2.311 226 A HA 0.714 5.034 4.320 0.001 0.000 0.334 226 A C -1.233 176.249 177.584 -0.170 0.000 1.139 226 A CA -0.871 51.120 52.037 -0.076 0.000 0.830 226 A CB 1.817 20.705 19.000 -0.188 0.000 1.234 226 A HN 0.812 nan 8.150 nan 0.000 0.483 227 Q N 0.920 120.547 119.800 -0.287 0.000 2.321 227 Q HA 0.594 4.935 4.340 0.001 0.000 0.270 227 Q C -2.064 173.726 176.000 -0.350 0.000 1.032 227 Q CA -0.354 55.380 55.803 -0.116 0.000 0.784 227 Q CB 1.082 29.968 28.738 0.248 0.000 1.264 227 Q HN 0.598 nan 8.270 nan 0.000 0.448 228 F N 2.235 122.273 119.950 0.146 0.000 2.443 228 F HA 0.421 4.949 4.527 0.001 0.000 0.335 228 F C 0.461 176.394 175.800 0.222 0.000 1.104 228 F CA -0.898 57.157 58.000 0.093 0.000 1.013 228 F CB 1.350 40.297 39.000 -0.089 0.000 1.136 228 F HN 0.424 nan 8.300 nan 0.000 0.470 229 N N 1.884 120.795 118.700 0.352 0.000 2.479 229 N HA 0.216 4.957 4.740 0.001 0.000 0.261 229 N C -0.946 174.733 175.510 0.281 0.000 0.979 229 N CA -0.326 52.899 53.050 0.291 0.000 0.930 229 N CB 1.026 39.633 38.487 0.199 0.000 1.172 229 N HN 0.554 nan 8.380 nan 0.000 0.499 230 D N 1.424 122.015 120.400 0.319 0.000 2.424 230 D HA 0.128 4.768 4.640 0.001 0.000 0.220 230 D C 1.227 177.647 176.300 0.199 0.000 1.150 230 D CA 0.117 54.279 54.000 0.271 0.000 0.831 230 D CB 0.533 41.546 40.800 0.354 0.000 0.981 230 D HN 0.460 nan 8.370 nan 0.000 0.500 231 T N 0.466 115.119 114.554 0.166 0.000 2.649 231 T HA -0.234 4.117 4.350 0.001 0.000 0.268 231 T C 1.253 176.013 174.700 0.099 0.000 1.036 231 T CA 1.416 63.587 62.100 0.118 0.000 1.157 231 T CB -0.069 68.858 68.868 0.097 0.000 0.861 231 T HN 0.322 nan 8.240 nan 0.000 0.445 232 E N 0.241 120.500 120.200 0.098 0.000 2.499 232 E HA 0.200 4.550 4.350 0.001 0.000 0.199 232 E C -0.581 176.070 176.600 0.084 0.000 1.016 232 E CA -0.262 56.186 56.400 0.079 0.000 0.933 232 E CB 0.659 30.398 29.700 0.065 0.000 1.050 232 E HN 0.197 nan 8.360 nan 0.000 0.462 233 V N 3.377 123.355 119.914 0.107 0.000 2.488 233 V HA 0.128 4.249 4.120 0.001 0.000 0.277 233 V C -2.007 174.146 176.094 0.098 0.000 1.046 233 V CA -1.656 60.710 62.300 0.110 0.000 0.986 233 V CB 0.501 32.407 31.823 0.140 0.000 0.989 233 V HN 0.056 nan 8.190 nan 0.000 0.475 234 P HA 0.278 nan 4.420 nan 0.000 0.272 234 P C -0.882 176.460 177.300 0.070 0.000 1.230 234 P CA -0.340 62.800 63.100 0.066 0.000 0.788 234 P CB 0.526 32.262 31.700 0.059 0.000 0.949 235 L N 1.994 123.238 121.223 0.034 0.000 2.317 235 L HA 0.428 4.769 4.340 0.001 0.000 0.281 235 L C 0.185 177.017 176.870 -0.064 0.000 1.024 235 L CA -0.686 54.159 54.840 0.008 0.000 0.810 235 L CB 1.077 43.137 42.059 0.001 0.000 1.240 235 L HN 0.289 nan 8.230 nan 0.000 0.427 236 I N 2.415 122.901 120.570 -0.141 0.000 2.428 236 I HA 0.279 4.450 4.170 0.001 0.000 0.289 236 I C -0.350 175.624 176.117 -0.238 0.000 1.019 236 I CA 0.189 61.304 61.300 -0.308 0.000 1.351 236 I CB 0.668 38.220 38.000 -0.747 0.000 1.412 236 I HN 0.598 nan 8.210 nan 0.000 0.513 237 E N 7.265 127.344 120.200 -0.202 0.000 2.234 237 E HA 0.513 4.864 4.350 0.001 0.000 0.266 237 E C -1.778 174.760 176.600 -0.102 0.000 0.877 237 E CA -0.572 55.711 56.400 -0.195 0.000 0.758 237 E CB 2.080 31.695 29.700 -0.143 0.000 1.170 237 E HN 0.571 nan 8.360 nan 0.000 0.415 238 Y N -1.770 118.443 120.300 -0.144 0.000 2.638 238 Y HA 0.546 5.096 4.550 0.001 0.000 0.335 238 Y C -0.719 175.115 175.900 -0.110 0.000 1.155 238 Y CA -1.260 56.764 58.100 -0.127 0.000 1.046 238 Y CB 0.838 39.229 38.460 -0.115 0.000 1.303 238 Y HN 0.200 nan 8.280 nan 0.000 0.460 239 S N 1.693 117.398 115.700 0.008 0.000 2.584 239 S HA 0.512 4.983 4.470 0.001 0.000 0.273 239 S C -1.434 173.026 174.600 -0.234 0.000 1.311 239 S CA -0.400 57.658 58.200 -0.237 0.000 1.034 239 S CB 0.558 63.469 63.200 -0.483 0.000 0.939 239 S HN 0.526 nan 8.310 nan 0.000 0.513 240 F N 1.943 121.627 119.950 -0.442 0.000 2.518 240 F HA 0.443 4.971 4.527 0.001 0.000 0.323 240 F C -0.274 175.266 175.800 -0.433 0.000 1.129 240 F CA -0.892 56.943 58.000 -0.275 0.000 0.920 240 F CB 0.895 39.853 39.000 -0.071 0.000 1.160 240 F HN 0.651 nan 8.300 nan 0.000 0.440 241 Y N 2.635 122.717 120.300 -0.363 0.000 2.397 241 Y HA 0.138 4.688 4.550 0.001 0.000 0.292 241 Y C 1.695 177.539 175.900 -0.093 0.000 1.115 241 Y CA 1.090 59.082 58.100 -0.180 0.000 1.208 241 Y CB -0.498 37.843 38.460 -0.197 0.000 1.046 241 Y HN 0.740 nan 8.280 nan 0.000 0.552 242 S N -0.311 115.335 115.700 -0.091 0.000 3.443 242 S HA -0.215 4.255 4.470 0.001 0.000 0.635 242 S C -0.613 174.052 174.600 0.109 0.000 2.555 242 S CA 0.252 58.558 58.200 0.176 0.000 2.778 242 S CB -1.182 62.199 63.200 0.301 0.000 0.331 242 S HN 0.449 nan 8.310 nan 0.000 1.765 243 D N 1.580 122.056 120.400 0.127 0.000 2.382 243 D HA 0.160 4.801 4.640 0.001 0.000 0.240 243 D C 1.373 177.712 176.300 0.065 0.000 1.146 243 D CA 0.316 54.366 54.000 0.084 0.000 0.897 243 D CB 0.249 41.096 40.800 0.078 0.000 1.197 243 D HN 0.627 nan 8.370 nan 0.000 0.432 244 E N 0.572 120.797 120.200 0.042 0.000 2.233 244 E HA -0.245 4.106 4.350 0.001 0.000 0.199 244 E C 1.551 178.168 176.600 0.027 0.000 1.004 244 E CA 1.357 57.773 56.400 0.026 0.000 0.819 244 E CB 0.152 29.860 29.700 0.013 0.000 0.738 244 E HN 0.452 nan 8.360 nan 0.000 0.478 245 S N 0.131 115.853 115.700 0.036 0.000 2.447 245 S HA -0.142 4.329 4.470 0.001 0.000 0.233 245 S C 0.936 175.562 174.600 0.043 0.000 1.006 245 S CA 0.042 58.263 58.200 0.035 0.000 0.957 245 S CB -0.177 63.046 63.200 0.038 0.000 0.773 245 S HN 0.226 nan 8.310 nan 0.000 0.507 246 L N 2.655 123.914 121.223 0.059 0.000 2.456 246 L HA 0.288 4.629 4.340 0.001 0.000 0.277 246 L C 1.427 178.330 176.870 0.054 0.000 1.124 246 L CA 0.120 55.005 54.840 0.075 0.000 0.880 246 L CB 0.461 42.580 42.059 0.101 0.000 1.192 246 L HN 0.306 nan 8.230 nan 0.000 0.463 247 Q N 3.977 123.807 119.800 0.050 0.000 2.084 247 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 247 Q C -0.514 175.390 176.000 -0.159 0.000 0.978 247 Q CA 1.460 57.235 55.803 -0.047 0.000 0.844 247 Q CB 0.114 28.838 28.738 -0.024 0.000 0.898 247 Q HN 0.679 nan 8.270 nan 0.000 0.426 248 Y N 0.460 120.773 120.300 0.022 0.000 2.341 248 Y HA 0.390 4.940 4.550 0.001 0.000 0.338 248 Y C -2.057 173.849 175.900 0.009 0.000 0.965 248 Y CA -2.927 55.181 58.100 0.014 0.000 1.108 248 Y CB 1.441 39.900 38.460 -0.001 0.000 1.180 248 Y HN 0.144 nan 8.280 nan 0.000 0.458 249 P HA 0.024 nan 4.420 nan 0.000 0.268 249 P C -0.791 176.509 177.300 -0.000 0.000 1.208 249 P CA -0.467 62.635 63.100 0.003 0.000 0.777 249 P CB 0.703 32.332 31.700 -0.118 0.000 0.875 250 K N 1.081 121.466 120.400 -0.025 0.000 2.118 250 K HA 0.350 4.670 4.320 0.001 0.000 0.267 250 K C -0.730 175.820 176.600 -0.083 0.000 0.991 250 K CA -0.348 55.928 56.287 -0.018 0.000 0.916 250 K CB 0.567 33.086 32.500 0.033 0.000 1.041 250 K HN 0.308 nan 8.250 nan 0.000 0.455 251 T N 3.122 117.614 114.554 -0.103 0.000 2.743 251 T HA 0.227 4.578 4.350 0.001 0.000 0.292 251 T C -0.627 173.945 174.700 -0.213 0.000 0.972 251 T CA -0.592 61.413 62.100 -0.159 0.000 0.967 251 T CB 0.938 69.728 68.868 -0.129 0.000 0.926 251 T HN 0.300 nan 8.240 nan 0.000 0.459 252 V N 5.718 125.410 119.914 -0.370 0.000 2.546 252 V HA 0.438 4.559 4.120 0.001 0.000 0.284 252 V C 0.427 176.254 176.094 -0.445 0.000 1.050 252 V CA -0.527 61.505 62.300 -0.447 0.000 0.981 252 V CB 0.912 32.301 31.823 -0.724 0.000 0.990 252 V HN 0.712 nan 8.190 nan 0.000 0.474 253 R N 3.514 123.878 120.500 -0.227 0.000 2.476 253 R HA 0.736 5.076 4.340 0.001 0.000 0.305 253 R C -1.720 174.562 176.300 -0.029 0.000 0.965 253 R CA -0.623 55.391 56.100 -0.143 0.000 0.867 253 R CB 2.230 32.478 30.300 -0.087 0.000 1.176 253 R HN 0.495 nan 8.270 nan 0.000 0.447 254 V N 3.976 123.876 119.914 -0.024 0.000 2.577 254 V HA 0.313 4.434 4.120 0.001 0.000 0.303 254 V C -2.395 173.753 176.094 0.090 0.000 1.042 254 V CA -2.427 59.924 62.300 0.085 0.000 0.872 254 V CB 2.245 34.083 31.823 0.025 0.000 0.998 254 V HN 0.606 nan 8.190 nan 0.000 0.423 255 P HA 0.142 nan 4.420 nan 0.000 0.264 255 P C -1.361 176.052 177.300 0.189 0.000 1.229 255 P CA 0.405 63.617 63.100 0.185 0.000 0.780 255 P CB -0.196 31.659 31.700 0.258 0.000 0.808 256 Y N 6.655 126.935 120.300 -0.034 0.000 2.307 256 Y HA 0.382 4.933 4.550 0.001 0.000 0.323 256 Y C -2.764 173.108 175.900 -0.046 0.000 1.100 256 Y CA -2.884 55.147 58.100 -0.115 0.000 1.140 256 Y CB 1.793 40.058 38.460 -0.325 0.000 1.159 256 Y HN 0.278 nan 8.280 nan 0.000 0.436 257 P HA 0.264 nan 4.420 nan 0.000 0.287 257 P C -0.957 176.378 177.300 0.060 0.000 1.307 257 P CA -0.236 62.899 63.100 0.058 0.000 0.777 257 P CB 1.512 33.234 31.700 0.036 0.000 0.883 258 K N 1.994 122.510 120.400 0.194 0.000 2.102 258 K HA 0.507 4.828 4.320 0.001 0.000 0.244 258 K C 0.545 177.238 176.600 0.154 0.000 1.021 258 K CA -0.731 55.691 56.287 0.225 0.000 0.913 258 K CB 0.594 33.249 32.500 0.258 0.000 1.062 258 K HN 0.460 nan 8.250 nan 0.000 0.485 259 A N 0.698 123.635 122.820 0.196 0.000 2.580 259 A HA 0.270 4.591 4.320 0.001 0.000 0.244 259 A C 1.199 178.820 177.584 0.062 0.000 1.045 259 A CA 1.082 53.222 52.037 0.173 0.000 0.761 259 A CB -1.176 18.013 19.000 0.315 0.000 0.962 259 A HN 0.906 nan 8.150 nan 0.000 0.512 260 G N 1.024 109.851 108.800 0.045 0.000 2.225 260 G HA2 0.098 4.059 3.960 0.001 0.000 0.254 260 G HA3 0.098 4.059 3.960 0.001 0.000 0.254 260 G C 0.740 175.653 174.900 0.022 0.000 0.988 260 G CA 0.740 45.841 45.100 0.002 0.000 0.625 260 G HN 2.208 nan 8.290 nan 0.000 0.527 261 A N -0.154 122.695 122.820 0.048 0.000 2.310 261 A HA 0.694 5.015 4.320 0.001 0.000 0.260 261 A C 0.910 178.525 177.584 0.051 0.000 1.112 261 A CA 0.421 52.490 52.037 0.053 0.000 0.804 261 A CB 0.526 19.572 19.000 0.076 0.000 1.081 261 A HN 1.186 nan 8.150 nan 0.000 0.499 262 V N 2.385 122.330 119.914 0.052 0.000 2.529 262 V HA 0.037 4.158 4.120 0.001 0.000 0.292 262 V C 0.344 176.481 176.094 0.072 0.000 1.028 262 V CA -0.087 62.244 62.300 0.053 0.000 1.074 262 V CB -0.064 31.791 31.823 0.053 0.000 0.958 262 V HN 0.801 nan 8.190 nan 0.000 0.481 263 N N 6.108 124.850 118.700 0.070 0.000 2.495 263 N HA 0.485 5.226 4.740 0.001 0.000 0.280 263 N C -2.358 173.234 175.510 0.137 0.000 1.168 263 N CA -1.497 51.617 53.050 0.107 0.000 0.978 263 N CB 1.215 39.760 38.487 0.096 0.000 1.191 263 N HN 0.402 nan 8.380 nan 0.000 0.497 264 P HA 0.104 nan 4.420 nan 0.000 0.272 264 P C -0.487 176.964 177.300 0.252 0.000 1.230 264 P CA -0.132 63.120 63.100 0.254 0.000 0.788 264 P CB 0.424 32.321 31.700 0.328 0.000 0.949 265 T N -1.762 112.920 114.554 0.213 0.000 2.952 265 T HA 0.606 4.957 4.350 0.001 0.000 0.286 265 T C -0.274 174.547 174.700 0.202 0.000 1.024 265 T CA -0.856 61.329 62.100 0.142 0.000 1.029 265 T CB 1.524 70.445 68.868 0.088 0.000 1.094 265 T HN 0.360 nan 8.240 nan 0.000 0.515 266 V N 0.255 120.264 119.914 0.158 0.000 2.971 266 V HA 0.741 4.862 4.120 0.001 0.000 0.309 266 V C -1.621 174.545 176.094 0.121 0.000 1.130 266 V CA -0.855 61.506 62.300 0.103 0.000 0.964 266 V CB 2.118 34.038 31.823 0.163 0.000 1.029 266 V HN 1.042 nan 8.190 nan 0.000 0.427 267 K N 4.282 124.681 120.400 -0.002 0.000 2.435 267 K HA 0.583 4.904 4.320 0.001 0.000 0.251 267 K C -1.953 174.530 176.600 -0.194 0.000 0.954 267 K CA -0.534 55.707 56.287 -0.077 0.000 0.820 267 K CB 2.847 35.259 32.500 -0.147 0.000 1.292 267 K HN 0.548 nan 8.250 nan 0.000 0.436 268 F N 2.158 121.782 119.950 -0.543 0.000 2.507 268 F HA 0.560 5.088 4.527 0.001 0.000 0.325 268 F C -1.491 173.766 175.800 -0.904 0.000 1.116 268 F CA -0.732 56.936 58.000 -0.554 0.000 0.930 268 F CB 0.832 39.646 39.000 -0.309 0.000 1.146 268 F HN 0.386 nan 8.300 nan 0.000 0.447 269 F N 4.026 123.191 119.950 -1.309 0.000 2.603 269 F HA 0.776 5.304 4.527 0.001 0.000 0.317 269 F C -0.956 174.138 175.800 -1.176 0.000 1.066 269 F CA -1.224 56.105 58.000 -1.119 0.000 0.941 269 F CB 2.144 40.396 39.000 -1.247 0.000 1.291 269 F HN 0.119 nan 8.300 nan 0.000 0.472 270 V N 2.465 122.134 119.914 -0.408 0.000 2.623 270 V HA 0.597 4.718 4.120 0.001 0.000 0.304 270 V C -1.224 174.935 176.094 0.107 0.000 1.054 270 V CA -0.804 61.343 62.300 -0.256 0.000 0.882 270 V CB 1.985 33.449 31.823 -0.598 0.000 1.002 270 V HN 0.607 nan 8.190 nan 0.000 0.424 271 V N 4.407 124.465 119.914 0.240 0.000 2.680 271 V HA 0.589 4.710 4.120 0.001 0.000 0.309 271 V C -0.406 175.920 176.094 0.386 0.000 1.052 271 V CA -0.603 61.872 62.300 0.292 0.000 0.908 271 V CB 2.152 34.092 31.823 0.194 0.000 1.001 271 V HN 0.927 nan 8.190 nan 0.000 0.431 272 N N 3.432 122.342 118.700 0.351 0.000 2.408 272 N HA 0.129 4.870 4.740 0.001 0.000 0.257 272 N C 0.996 176.516 175.510 0.018 0.000 1.064 272 N CA 0.601 53.752 53.050 0.169 0.000 0.952 272 N CB 1.760 40.306 38.487 0.099 0.000 1.093 272 N HN 0.923 nan 8.380 nan 0.000 0.490 273 T N -0.298 114.249 114.554 -0.012 0.000 3.113 273 T HA 0.051 4.402 4.350 0.001 0.000 0.256 273 T C 0.699 175.342 174.700 -0.094 0.000 1.131 273 T CA 0.449 62.533 62.100 -0.027 0.000 1.074 273 T CB 0.173 69.122 68.868 0.135 0.000 0.944 273 T HN 0.245 nan 8.240 nan 0.000 0.516 274 D N 2.145 122.468 120.400 -0.128 0.000 2.347 274 D HA 0.044 4.684 4.640 0.001 0.000 0.213 274 D C 1.194 177.429 176.300 -0.109 0.000 0.985 274 D CA 0.728 54.652 54.000 -0.127 0.000 0.879 274 D CB 0.130 40.832 40.800 -0.163 0.000 0.919 274 D HN 0.643 nan 8.370 nan 0.000 0.526 275 S N -0.125 115.512 115.700 -0.105 0.000 2.592 275 S HA 0.322 4.793 4.470 0.001 0.000 0.243 275 S C 0.222 174.760 174.600 -0.104 0.000 1.160 275 S CA -0.637 57.520 58.200 -0.072 0.000 1.145 275 S CB -0.239 62.950 63.200 -0.020 0.000 0.909 275 S HN -0.027 nan 8.310 nan 0.000 0.487 276 L N 1.833 122.917 121.223 -0.232 0.000 2.350 276 L HA 0.591 4.932 4.340 0.001 0.000 0.275 276 L C 0.477 177.207 176.870 -0.234 0.000 1.099 276 L CA -0.311 54.295 54.840 -0.390 0.000 0.808 276 L CB 1.531 42.989 42.059 -1.002 0.000 1.149 276 L HN 0.380 nan 8.230 nan 0.000 0.442 277 S N 0.195 115.883 115.700 -0.019 0.000 2.513 277 S HA 0.327 4.798 4.470 0.001 0.000 0.299 277 S C 0.616 175.427 174.600 0.351 0.000 1.087 277 S CA -0.653 57.647 58.200 0.166 0.000 1.012 277 S CB 1.791 65.052 63.200 0.102 0.000 1.044 277 S HN 0.595 nan 8.310 nan 0.000 0.485 278 S N 2.661 118.556 115.700 0.325 0.000 2.562 278 S HA 0.031 4.502 4.470 0.001 0.000 0.221 278 S C 1.302 175.985 174.600 0.137 0.000 0.975 278 S CA 0.245 58.571 58.200 0.209 0.000 0.918 278 S CB 0.073 63.334 63.200 0.102 0.000 0.772 278 S HN 0.592 nan 8.310 nan 0.000 0.531 279 V N 0.529 120.518 119.914 0.126 0.000 3.085 279 V HA 0.143 4.264 4.120 0.001 0.000 0.245 279 V C 0.734 176.875 176.094 0.078 0.000 1.114 279 V CA 0.693 63.044 62.300 0.085 0.000 1.108 279 V CB -0.046 31.816 31.823 0.065 0.000 0.798 279 V HN 0.306 nan 8.190 nan 0.000 0.471 280 T N 0.669 115.279 114.554 0.094 0.000 2.908 280 T HA 0.403 4.753 4.350 0.001 0.000 0.290 280 T C -0.416 174.347 174.700 0.106 0.000 1.034 280 T CA -0.511 61.632 62.100 0.073 0.000 1.010 280 T CB 1.521 70.421 68.868 0.054 0.000 1.068 280 T HN 0.068 nan 8.240 nan 0.000 0.481 281 N N 1.767 120.516 118.700 0.082 0.000 2.513 281 N HA 0.393 5.133 4.740 0.001 0.000 0.268 281 N C 0.185 175.764 175.510 0.115 0.000 1.180 281 N CA -0.176 52.956 53.050 0.137 0.000 0.948 281 N CB 0.815 39.334 38.487 0.054 0.000 1.083 281 N HN 0.850 nan 8.380 nan 0.000 0.455 282 A N 2.018 124.918 122.820 0.134 0.000 2.555 282 A HA 0.176 4.497 4.320 0.001 0.000 0.233 282 A C 0.256 177.887 177.584 0.078 0.000 1.060 282 A CA 0.315 52.398 52.037 0.077 0.000 0.759 282 A CB -0.001 19.021 19.000 0.036 0.000 0.995 282 A HN 0.552 nan 8.150 nan 0.000 0.506 283 T N 2.460 117.062 114.554 0.080 0.000 2.758 283 T HA 0.467 4.817 4.350 0.001 0.000 0.285 283 T C -0.057 174.718 174.700 0.124 0.000 0.981 283 T CA -0.136 62.019 62.100 0.092 0.000 0.965 283 T CB 0.939 69.867 68.868 0.099 0.000 0.927 283 T HN 0.561 nan 8.240 nan 0.000 0.448 284 S N 3.540 119.305 115.700 0.108 0.000 2.462 284 S HA 0.481 4.951 4.470 0.001 0.000 0.294 284 S C 0.062 174.796 174.600 0.222 0.000 1.144 284 S CA -0.824 57.463 58.200 0.146 0.000 1.088 284 S CB 0.456 63.678 63.200 0.036 0.000 1.009 284 S HN 0.483 nan 8.310 nan 0.000 0.484 285 I N 3.240 123.963 120.570 0.255 0.000 2.325 285 I HA 0.265 4.436 4.170 0.001 0.000 0.291 285 I C 0.549 176.783 176.117 0.197 0.000 1.019 285 I CA -0.240 61.221 61.300 0.268 0.000 1.302 285 I CB 0.874 39.106 38.000 0.387 0.000 1.401 285 I HN 0.681 nan 8.210 nan 0.000 0.485 286 Q N 6.330 126.232 119.800 0.169 0.000 2.259 286 Q HA 0.497 4.838 4.340 0.001 0.000 0.249 286 Q C -1.108 174.848 176.000 -0.075 0.000 0.914 286 Q CA -0.398 55.334 55.803 -0.118 0.000 0.904 286 Q CB 1.383 30.012 28.738 -0.181 0.000 1.213 286 Q HN 0.565 nan 8.270 nan 0.000 0.428 287 I N 4.191 124.693 120.570 -0.113 0.000 2.382 287 I HA 0.209 4.379 4.170 0.001 0.000 0.285 287 I C 0.152 176.272 176.117 0.005 0.000 1.007 287 I CA -0.727 60.582 61.300 0.016 0.000 1.142 287 I CB 1.535 39.599 38.000 0.106 0.000 1.289 287 I HN 0.707 nan 8.210 nan 0.000 0.453 288 T N 2.848 117.365 114.554 -0.063 0.000 2.882 288 T HA 0.646 4.996 4.350 0.001 0.000 0.287 288 T C 0.347 174.862 174.700 -0.307 0.000 1.014 288 T CA -0.758 61.246 62.100 -0.161 0.000 1.049 288 T CB 1.714 70.485 68.868 -0.161 0.000 1.001 288 T HN 0.571 nan 8.240 nan 0.000 0.525 289 A N 3.089 125.485 122.820 -0.707 0.000 2.332 289 A HA 0.623 4.944 4.320 0.001 0.000 0.258 289 A C -1.897 175.208 177.584 -0.798 0.000 1.087 289 A CA -1.734 49.467 52.037 -1.393 0.000 0.802 289 A CB -0.549 17.051 19.000 -2.334 0.000 1.042 289 A HN 0.821 nan 8.150 nan 0.000 0.489 290 P HA 0.130 nan 4.420 nan 0.000 0.270 290 P C 0.692 177.779 177.300 -0.355 0.000 1.223 290 P CA 0.550 63.422 63.100 -0.380 0.000 0.785 290 P CB 0.804 32.354 31.700 -0.250 0.000 0.923 291 A N 2.416 125.098 122.820 -0.231 0.000 1.978 291 A HA -0.189 4.132 4.320 0.001 0.000 0.220 291 A C 2.202 179.674 177.584 -0.186 0.000 1.170 291 A CA 2.286 54.207 52.037 -0.193 0.000 0.636 291 A CB -1.732 17.189 19.000 -0.131 0.000 0.810 291 A HN 0.676 nan 8.150 nan 0.000 0.448 292 S N -1.516 114.092 115.700 -0.153 0.000 2.500 292 S HA -0.065 4.406 4.470 0.001 0.000 0.239 292 S C 1.675 176.176 174.600 -0.164 0.000 0.989 292 S CA 1.458 59.582 58.200 -0.127 0.000 0.951 292 S CB -0.240 62.950 63.200 -0.016 0.000 0.759 292 S HN 0.395 nan 8.310 nan 0.000 0.523 293 M N 0.755 120.196 119.600 -0.265 0.000 2.691 293 M HA 0.385 4.866 4.480 0.001 0.000 0.261 293 M C 1.936 177.948 176.300 -0.480 0.000 1.227 293 M CA 0.643 55.716 55.300 -0.379 0.000 1.197 293 M CB -1.157 31.064 32.600 -0.632 0.000 1.294 293 M HN 0.303 nan 8.290 nan 0.000 0.508 294 L N 1.182 122.115 121.223 -0.484 0.000 2.450 294 L HA -0.140 4.201 4.340 0.001 0.000 0.224 294 L C 2.249 179.036 176.870 -0.139 0.000 1.149 294 L CA 0.598 55.247 54.840 -0.318 0.000 0.816 294 L CB -0.900 40.995 42.059 -0.273 0.000 0.932 294 L HN 0.320 nan 8.230 nan 0.000 0.449 295 I N -2.648 117.841 120.570 -0.135 0.000 2.614 295 I HA 0.076 4.247 4.170 0.001 0.000 0.258 295 I C 1.108 177.198 176.117 -0.045 0.000 1.189 295 I CA 0.804 62.053 61.300 -0.086 0.000 1.462 295 I CB -0.478 37.463 38.000 -0.099 0.000 1.092 295 I HN 0.108 nan 8.210 nan 0.000 0.442 296 G N 0.025 108.817 108.800 -0.013 0.000 2.706 296 G HA2 0.266 4.226 3.960 0.001 0.000 0.307 296 G HA3 0.266 4.226 3.960 0.001 0.000 0.307 296 G C -1.777 173.180 174.900 0.095 0.000 1.307 296 G CA -0.591 44.519 45.100 0.017 0.000 0.790 296 G HN 0.019 nan 8.290 nan 0.000 0.503 297 D N 1.289 121.692 120.400 0.004 0.000 2.472 297 D HA 0.394 5.035 4.640 0.001 0.000 0.237 297 D C 0.394 176.630 176.300 -0.106 0.000 1.141 297 D CA 0.863 54.802 54.000 -0.102 0.000 0.875 297 D CB 0.374 41.079 40.800 -0.157 0.000 1.192 297 D HN 0.556 nan 8.370 nan 0.000 0.450 298 H N -0.880 118.036 119.070 -0.256 0.000 2.918 298 H HA 0.436 4.993 4.556 0.001 0.000 0.303 298 H C -1.393 173.779 175.328 -0.261 0.000 1.380 298 H CA -0.810 55.094 56.048 -0.240 0.000 1.134 298 H CB 0.333 30.094 29.762 -0.001 0.000 1.842 298 H HN 0.312 nan 8.280 nan 0.000 0.533 299 Y N -0.055 120.464 120.300 0.365 0.000 2.553 299 Y HA 0.428 4.978 4.550 0.001 0.000 0.347 299 Y C -0.452 175.711 175.900 0.438 0.000 1.019 299 Y CA -1.148 57.168 58.100 0.360 0.000 1.032 299 Y CB 1.993 40.503 38.460 0.083 0.000 1.284 299 Y HN 0.499 nan 8.280 nan 0.000 0.466 300 L N 2.760 124.302 121.223 0.532 0.000 2.275 300 L HA 0.464 4.805 4.340 0.001 0.000 0.288 300 L C 0.327 177.218 176.870 0.034 0.000 1.046 300 L CA -0.276 54.519 54.840 -0.076 0.000 0.805 300 L CB 0.604 42.552 42.059 -0.184 0.000 1.193 300 L HN 0.986 nan 8.230 nan 0.000 0.426 301 C N 1.192 120.373 119.300 -0.198 0.000 3.559 301 C HA 0.532 4.992 4.460 0.001 0.000 0.314 301 C C 0.104 174.911 174.990 -0.306 0.000 1.419 301 C CA -0.397 58.434 59.018 -0.312 0.000 1.775 301 C CB -0.732 26.889 27.740 -0.200 0.000 2.430 301 C HN 0.854 nan 8.230 nan 0.000 0.686 302 D N 0.175 120.433 120.400 -0.237 0.000 2.769 302 D HA 0.431 5.072 4.640 0.001 0.000 0.219 302 D C -1.910 174.119 176.300 -0.452 0.000 1.245 302 D CA 0.115 54.005 54.000 -0.184 0.000 0.801 302 D CB 2.728 43.417 40.800 -0.186 0.000 1.598 302 D HN 0.039 nan 8.370 nan 0.000 0.485 303 V N 2.392 121.969 119.914 -0.562 0.000 2.569 303 V HA 0.551 4.672 4.120 0.001 0.000 0.301 303 V C -0.509 175.198 176.094 -0.646 0.000 1.044 303 V CA -0.377 61.358 62.300 -0.942 0.000 0.874 303 V CB 1.993 32.740 31.823 -1.793 0.000 1.002 303 V HN 0.651 nan 8.190 nan 0.000 0.424 304 T N 3.582 117.837 114.554 -0.497 0.000 3.031 304 T HA 0.352 4.702 4.350 0.001 0.000 0.305 304 T C -0.895 173.657 174.700 -0.247 0.000 0.985 304 T CA -0.454 61.513 62.100 -0.222 0.000 1.008 304 T CB 0.826 69.644 68.868 -0.084 0.000 1.005 304 T HN 0.517 nan 8.240 nan 0.000 0.444 305 W N 2.133 123.377 121.300 -0.094 0.000 2.216 305 W HA 0.478 5.139 4.660 0.001 0.000 0.326 305 W C 1.145 177.540 176.519 -0.207 0.000 1.319 305 W CA -0.284 56.994 57.345 -0.111 0.000 1.213 305 W CB 0.595 30.075 29.460 0.034 0.000 1.171 305 W HN 0.850 nan 8.180 nan 0.000 0.557 306 A N 1.990 124.689 122.820 -0.201 0.000 1.920 306 A HA 0.192 4.512 4.320 0.001 0.000 0.209 306 A C 0.912 178.468 177.584 -0.047 0.000 1.229 306 A CA 1.525 53.226 52.037 -0.560 0.000 0.671 306 A CB -0.395 17.815 19.000 -1.317 0.000 0.886 306 A HN 0.530 nan 8.150 nan 0.000 0.461 307 T N -5.557 109.067 114.554 0.117 0.000 2.654 307 T HA 0.352 4.703 4.350 0.001 0.000 0.289 307 T C 0.191 175.063 174.700 0.286 0.000 1.062 307 T CA -0.388 61.824 62.100 0.186 0.000 1.041 307 T CB 0.722 69.683 68.868 0.154 0.000 1.417 307 T HN -0.038 nan 8.240 nan 0.000 0.510 308 Q N 0.305 120.233 119.800 0.213 0.000 2.291 308 Q HA 0.017 4.358 4.340 0.001 0.000 0.206 308 Q C 0.789 177.030 176.000 0.402 0.000 0.976 308 Q CA 1.483 57.408 55.803 0.204 0.000 0.875 308 Q CB -0.120 28.701 28.738 0.138 0.000 0.927 308 Q HN 0.827 nan 8.270 nan 0.000 0.450 309 E N -0.400 120.057 120.200 0.429 0.000 2.810 309 E HA 0.194 4.545 4.350 0.001 0.000 0.214 309 E C -0.228 176.682 176.600 0.517 0.000 0.980 309 E CA -0.167 56.530 56.400 0.495 0.000 1.159 309 E CB 1.092 30.978 29.700 0.309 0.000 1.047 309 E HN -0.045 nan 8.360 nan 0.000 0.484 310 R N 1.627 122.434 120.500 0.512 0.000 2.538 310 R HA 0.566 4.907 4.340 0.001 0.000 0.292 310 R C -1.729 174.611 176.300 0.067 0.000 1.008 310 R CA -0.493 55.777 56.100 0.284 0.000 0.896 310 R CB 1.393 31.742 30.300 0.081 0.000 1.187 310 R HN 0.085 nan 8.270 nan 0.000 0.440 311 I N 2.832 123.271 120.570 -0.219 0.000 2.608 311 I HA 0.462 4.632 4.170 0.001 0.000 0.295 311 I C -1.044 174.756 176.117 -0.529 0.000 1.049 311 I CA -0.489 60.403 61.300 -0.680 0.000 1.063 311 I CB 2.305 39.487 38.000 -1.364 0.000 1.248 311 I HN 0.850 nan 8.210 nan 0.000 0.424 312 S N 7.449 122.815 115.700 -0.557 0.000 2.503 312 S HA 0.814 5.284 4.470 0.001 0.000 0.301 312 S C -1.061 173.217 174.600 -0.536 0.000 1.087 312 S CA -0.721 57.230 58.200 -0.416 0.000 1.042 312 S CB 1.651 64.703 63.200 -0.248 0.000 1.043 312 S HN 0.560 nan 8.310 nan 0.000 0.489 313 L N 1.680 122.606 121.223 -0.495 0.000 2.408 313 L HA 0.568 4.909 4.340 0.001 0.000 0.268 313 L C -0.507 176.064 176.870 -0.499 0.000 0.986 313 L CA -0.764 53.668 54.840 -0.679 0.000 0.820 313 L CB 2.139 43.669 42.059 -0.882 0.000 1.303 313 L HN 0.666 nan 8.230 nan 0.000 0.411 314 Q N 1.419 120.895 119.800 -0.539 0.000 2.312 314 Q HA 0.477 4.817 4.340 0.001 0.000 0.263 314 Q C -1.738 174.020 176.000 -0.402 0.000 0.995 314 Q CA -0.563 55.050 55.803 -0.315 0.000 0.853 314 Q CB 2.524 31.133 28.738 -0.215 0.000 1.300 314 Q HN 0.431 nan 8.270 nan 0.000 0.448 315 W N 2.245 123.507 121.300 -0.063 0.000 2.689 315 W HA 0.621 5.282 4.660 0.001 0.000 0.340 315 W C -0.936 175.625 176.519 0.070 0.000 1.060 315 W CA -0.654 56.701 57.345 0.018 0.000 1.218 315 W CB 1.156 30.608 29.460 -0.013 0.000 1.410 315 W HN 0.381 nan 8.180 nan 0.000 0.528 316 L N 2.690 124.152 121.223 0.398 0.000 2.410 316 L HA 0.575 4.916 4.340 0.001 0.000 0.270 316 L C -0.159 176.917 176.870 0.343 0.000 0.983 316 L CA -1.119 53.916 54.840 0.326 0.000 0.822 316 L CB 1.355 43.583 42.059 0.281 0.000 1.285 316 L HN 0.409 nan 8.230 nan 0.000 0.409 317 R N 2.433 123.094 120.500 0.268 0.000 2.679 317 R HA 0.258 4.599 4.340 0.001 0.000 0.269 317 R C 0.939 177.309 176.300 0.117 0.000 1.076 317 R CA -0.268 55.930 56.100 0.164 0.000 1.160 317 R CB 0.596 30.969 30.300 0.122 0.000 1.054 317 R HN 0.641 nan 8.270 nan 0.000 0.507 318 R N 1.096 121.579 120.500 -0.030 0.000 2.127 318 R HA -0.063 4.278 4.340 0.001 0.000 0.238 318 R C 0.378 176.738 176.300 0.100 0.000 1.134 318 R CA 1.124 57.205 56.100 -0.032 0.000 0.975 318 R CB 0.179 30.408 30.300 -0.118 0.000 0.865 318 R HN 0.374 nan 8.270 nan 0.000 0.447 319 I N 2.771 123.382 120.570 0.068 0.000 2.294 319 I HA 0.009 4.180 4.170 0.001 0.000 0.295 319 I C 0.216 176.397 176.117 0.106 0.000 1.098 319 I CA 0.377 61.718 61.300 0.069 0.000 1.277 319 I CB 1.011 39.035 38.000 0.041 0.000 1.434 319 I HN 0.273 nan 8.210 nan 0.000 0.498 320 Q N 4.554 124.417 119.800 0.106 0.000 2.294 320 Q HA -0.043 4.298 4.340 0.001 0.000 0.222 320 Q C 0.484 176.565 176.000 0.136 0.000 0.903 320 Q CA 0.095 55.973 55.803 0.125 0.000 0.966 320 Q CB -0.317 28.456 28.738 0.059 0.000 1.091 320 Q HN 0.619 nan 8.270 nan 0.000 0.438 321 N N -0.829 117.955 118.700 0.138 0.000 2.235 321 N HA -0.022 4.718 4.740 0.001 0.000 0.231 321 N C -1.139 174.480 175.510 0.182 0.000 1.177 321 N CA -0.271 52.851 53.050 0.120 0.000 0.874 321 N CB 0.300 38.831 38.487 0.074 0.000 1.097 321 N HN 0.169 nan 8.380 nan 0.000 0.518 322 Y N 0.123 120.452 120.300 0.049 0.000 2.330 322 Y HA 0.567 5.118 4.550 0.001 0.000 0.324 322 Y C -1.279 174.661 175.900 0.067 0.000 1.093 322 Y CA -0.926 57.202 58.100 0.047 0.000 1.103 322 Y CB 1.518 39.998 38.460 0.032 0.000 1.183 322 Y HN 0.026 nan 8.280 nan 0.000 0.433 323 S N 4.245 119.892 115.700 -0.089 0.000 2.568 323 S HA 0.916 5.387 4.470 0.001 0.000 0.293 323 S C -1.934 172.604 174.600 -0.103 0.000 1.089 323 S CA -0.481 57.723 58.200 0.007 0.000 0.945 323 S CB 1.415 64.625 63.200 0.017 0.000 1.077 323 S HN 0.455 nan 8.310 nan 0.000 0.485 324 V N 4.465 124.408 119.914 0.048 0.000 2.638 324 V HA 0.512 4.632 4.120 0.001 0.000 0.306 324 V C -0.359 175.787 176.094 0.086 0.000 1.052 324 V CA -0.643 61.684 62.300 0.046 0.000 0.885 324 V CB 1.750 33.636 31.823 0.106 0.000 0.999 324 V HN 0.955 nan 8.190 nan 0.000 0.424 325 M N 3.689 123.310 119.600 0.036 0.000 2.238 325 M HA 0.552 5.033 4.480 0.001 0.000 0.350 325 M C -1.400 174.922 176.300 0.038 0.000 1.138 325 M CA -0.256 55.042 55.300 -0.002 0.000 1.040 325 M CB 1.310 33.864 32.600 -0.075 0.000 1.639 325 M HN 0.620 nan 8.290 nan 0.000 0.451 326 D N 4.944 125.354 120.400 0.016 0.000 2.248 326 D HA 0.537 5.178 4.640 0.001 0.000 0.246 326 D C -1.075 175.199 176.300 -0.044 0.000 1.027 326 D CA -0.100 53.908 54.000 0.015 0.000 0.853 326 D CB 1.857 42.693 40.800 0.059 0.000 1.243 326 D HN 0.595 nan 8.370 nan 0.000 0.462 327 I N 2.587 123.153 120.570 -0.007 0.000 2.411 327 I HA 0.287 4.458 4.170 0.001 0.000 0.284 327 I C -0.557 175.560 176.117 -0.000 0.000 1.012 327 I CA -0.629 60.658 61.300 -0.021 0.000 1.119 327 I CB 1.253 39.293 38.000 0.068 0.000 1.261 327 I HN 0.166 nan 8.210 nan 0.000 0.448 328 c N 3.821 122.412 118.600 -0.016 0.000 2.382 328 c HA 0.538 5.108 4.570 0.001 0.000 0.327 328 c C -0.168 174.071 174.090 0.249 0.000 1.250 328 c CA -0.701 55.692 56.329 0.107 0.000 1.707 328 c CB 0.908 43.487 42.510 0.116 0.000 2.272 328 c HN 0.590 nan 8.230 nan 0.000 0.506 329 D N 0.235 120.761 120.400 0.210 0.000 2.248 329 D HA 0.341 4.982 4.640 0.001 0.000 0.246 329 D C -0.698 175.537 176.300 -0.109 0.000 1.027 329 D CA -0.203 53.873 54.000 0.127 0.000 0.853 329 D CB 0.826 41.652 40.800 0.042 0.000 1.243 329 D HN 0.581 nan 8.370 nan 0.000 0.462 330 Y N 1.749 121.669 120.300 -0.634 0.000 2.377 330 Y HA 0.194 4.745 4.550 0.001 0.000 0.330 330 Y C -0.182 175.416 175.900 -0.503 0.000 1.108 330 Y CA -0.129 57.265 58.100 -1.177 0.000 1.308 330 Y CB 0.724 38.332 38.460 -1.419 0.000 1.216 330 Y HN 0.184 nan 8.280 nan 0.000 0.518 331 D N 5.827 125.586 120.400 -1.069 0.000 2.443 331 D HA 0.050 4.691 4.640 0.001 0.000 0.221 331 D C 0.697 176.434 176.300 -0.938 0.000 1.097 331 D CA -0.043 53.531 54.000 -0.710 0.000 0.865 331 D CB 0.810 41.354 40.800 -0.426 0.000 1.034 331 D HN 0.927 nan 8.370 nan 0.000 0.511 332 E N 1.751 121.568 120.200 -0.638 0.000 2.265 332 E HA -0.138 4.213 4.350 0.001 0.000 0.196 332 E C 1.027 177.506 176.600 -0.201 0.000 0.996 332 E CA 0.738 56.934 56.400 -0.340 0.000 0.832 332 E CB 0.501 30.185 29.700 -0.027 0.000 0.756 332 E HN 0.335 nan 8.360 nan 0.000 0.491 333 S N -0.051 115.527 115.700 -0.203 0.000 2.335 333 S HA -0.130 4.341 4.470 0.001 0.000 0.217 333 S C 2.060 176.593 174.600 -0.112 0.000 1.032 333 S CA 1.263 59.392 58.200 -0.118 0.000 0.985 333 S CB -0.106 63.034 63.200 -0.100 0.000 0.896 333 S HN 0.418 nan 8.310 nan 0.000 0.445 334 S N 0.363 115.970 115.700 -0.155 0.000 2.524 334 S HA 0.353 4.824 4.470 0.001 0.000 0.216 334 S C 1.509 176.044 174.600 -0.108 0.000 0.987 334 S CA 0.623 58.758 58.200 -0.108 0.000 0.909 334 S CB -0.103 63.038 63.200 -0.098 0.000 0.781 334 S HN 0.861 nan 8.310 nan 0.000 0.521 335 G N 1.846 110.508 108.800 -0.229 0.000 2.179 335 G HA2 -0.233 3.728 3.960 0.001 0.000 0.257 335 G HA3 -0.233 3.728 3.960 0.001 0.000 0.257 335 G C 0.076 174.933 174.900 -0.072 0.000 1.010 335 G CA 0.182 45.201 45.100 -0.135 0.000 0.736 335 G HN 0.524 nan 8.290 nan 0.000 0.513 336 R N -1.604 118.760 120.500 -0.227 0.000 2.782 336 R HA 0.667 5.008 4.340 0.001 0.000 0.258 336 R C -0.711 175.448 176.300 -0.234 0.000 1.055 336 R CA -1.037 55.021 56.100 -0.071 0.000 1.065 336 R CB 0.629 30.914 30.300 -0.025 0.000 1.172 336 R HN 0.181 nan 8.270 nan 0.000 0.510 337 W N 0.577 121.880 121.300 0.005 0.000 2.417 337 W HA 0.406 5.067 4.660 0.001 0.000 0.315 337 W C -0.248 176.254 176.519 -0.028 0.000 1.045 337 W CA -0.354 56.991 57.345 -0.000 0.000 1.221 337 W CB 1.031 30.496 29.460 0.009 0.000 1.309 337 W HN 0.405 nan 8.180 nan 0.000 0.453 338 N N 2.184 120.958 118.700 0.122 0.000 2.321 338 N HA 0.581 5.322 4.740 0.001 0.000 0.299 338 N C -1.534 174.018 175.510 0.070 0.000 1.048 338 N CA -0.686 52.402 53.050 0.063 0.000 0.836 338 N CB 1.325 39.809 38.487 -0.005 0.000 1.269 338 N HN 0.180 nan 8.380 nan 0.000 0.486 339 c N 2.675 121.301 118.600 0.044 0.000 2.294 339 c HA 0.384 4.955 4.570 0.001 0.000 0.319 339 c C 0.327 174.419 174.090 0.004 0.000 1.164 339 c CA -1.090 55.256 56.329 0.028 0.000 1.497 339 c CB -1.144 41.376 42.510 0.018 0.000 2.061 339 c HN 0.624 nan 8.230 nan 0.000 0.438 340 L N 2.798 124.025 121.223 0.005 0.000 2.499 340 L HA 0.052 4.392 4.340 0.001 0.000 0.273 340 L C 1.527 178.383 176.870 -0.022 0.000 1.195 340 L CA 0.118 54.953 54.840 -0.008 0.000 0.882 340 L CB 0.687 42.745 42.059 -0.001 0.000 1.133 340 L HN 0.628 nan 8.230 nan 0.000 0.483 341 V N 3.181 123.075 119.914 -0.032 0.000 2.469 341 V HA -0.318 3.803 4.120 0.001 0.000 0.251 341 V C 2.316 178.373 176.094 -0.062 0.000 1.064 341 V CA 1.996 64.268 62.300 -0.046 0.000 1.066 341 V CB -0.855 30.942 31.823 -0.044 0.000 0.667 341 V HN 1.028 nan 8.190 nan 0.000 0.461 342 A N -0.111 122.679 122.820 -0.050 0.000 2.125 342 A HA -0.163 4.158 4.320 0.001 0.000 0.219 342 A C 2.192 179.724 177.584 -0.086 0.000 1.156 342 A CA 1.335 53.337 52.037 -0.058 0.000 0.671 342 A CB -0.420 18.562 19.000 -0.031 0.000 0.794 342 A HN 0.577 nan 8.150 nan 0.000 0.459 343 R N -0.723 119.736 120.500 -0.067 0.000 2.466 343 R HA 0.176 4.517 4.340 0.001 0.000 0.279 343 R C 0.099 176.316 176.300 -0.138 0.000 0.976 343 R CA -0.168 55.902 56.100 -0.049 0.000 1.081 343 R CB 0.225 30.558 30.300 0.056 0.000 1.215 343 R HN 0.563 nan 8.270 nan 0.000 0.546 344 Q N 0.648 120.320 119.800 -0.214 0.000 2.293 344 Q HA 0.145 4.486 4.340 0.001 0.000 0.251 344 Q C -0.750 175.009 176.000 -0.401 0.000 0.930 344 Q CA 0.010 55.704 55.803 -0.181 0.000 0.893 344 Q CB 0.969 29.647 28.738 -0.100 0.000 1.215 344 Q HN 0.245 nan 8.270 nan 0.000 0.425 345 H N 3.288 122.359 119.070 0.001 0.000 2.823 345 H HA 0.347 4.904 4.556 0.001 0.000 0.332 345 H C -0.694 174.608 175.328 -0.043 0.000 0.980 345 H CA -0.393 55.658 56.048 0.005 0.000 1.286 345 H CB 0.828 30.586 29.762 -0.005 0.000 1.541 345 H HN 0.536 nan 8.280 nan 0.000 0.521 346 I N 2.196 122.778 120.570 0.020 0.000 2.396 346 I HA 0.136 4.306 4.170 0.001 0.000 0.292 346 I C 0.430 176.487 176.117 -0.100 0.000 0.999 346 I CA -0.003 61.218 61.300 -0.131 0.000 1.310 346 I CB 1.286 39.163 38.000 -0.204 0.000 1.404 346 I HN 0.466 nan 8.210 nan 0.000 0.496 347 E N 8.055 128.143 120.200 -0.187 0.000 2.244 347 E HA 0.529 4.880 4.350 0.001 0.000 0.260 347 E C -1.178 175.323 176.600 -0.165 0.000 0.884 347 E CA -0.683 55.659 56.400 -0.096 0.000 0.777 347 E CB 1.429 31.113 29.700 -0.027 0.000 1.197 347 E HN 0.600 nan 8.360 nan 0.000 0.416 348 M N 1.272 120.810 119.600 -0.103 0.000 2.667 348 M HA 0.668 5.149 4.480 0.001 0.000 0.286 348 M C -1.214 175.081 176.300 -0.008 0.000 1.270 348 M CA -0.873 54.393 55.300 -0.056 0.000 0.826 348 M CB 2.316 34.900 32.600 -0.026 0.000 1.743 348 M HN 0.269 nan 8.290 nan 0.000 0.460 349 S N -0.564 115.139 115.700 0.005 0.000 2.541 349 S HA 0.589 5.060 4.470 0.001 0.000 0.280 349 S C 0.196 174.783 174.600 -0.021 0.000 1.112 349 S CA 0.036 58.222 58.200 -0.023 0.000 0.925 349 S CB 1.850 65.005 63.200 -0.075 0.000 1.067 349 S HN 0.913 nan 8.310 nan 0.000 0.479 350 T N -0.287 114.252 114.554 -0.025 0.000 3.014 350 T HA 0.070 4.420 4.350 0.001 0.000 0.250 350 T C 1.516 176.187 174.700 -0.048 0.000 1.060 350 T CA 0.889 62.977 62.100 -0.020 0.000 1.040 350 T CB -0.412 68.452 68.868 -0.006 0.000 0.971 350 T HN 0.674 nan 8.240 nan 0.000 0.497 351 T N -1.762 112.749 114.554 -0.073 0.000 3.037 351 T HA 0.595 4.946 4.350 0.001 0.000 0.251 351 T C 1.156 175.647 174.700 -0.348 0.000 1.079 351 T CA 0.401 62.446 62.100 -0.091 0.000 1.067 351 T CB 0.329 69.229 68.868 0.054 0.000 0.948 351 T HN 0.624 nan 8.240 nan 0.000 0.496 352 G N 0.326 108.743 108.800 -0.638 0.000 2.635 352 G HA2 0.477 4.438 3.960 0.001 0.000 0.194 352 G HA3 0.477 4.438 3.960 0.001 0.000 0.194 352 G C -1.590 173.019 174.900 -0.486 0.000 1.198 352 G CA -0.579 43.955 45.100 -0.944 0.000 0.972 352 G HN 0.481 nan 8.290 nan 0.000 0.520 353 W N -0.146 120.908 121.300 -0.410 0.000 2.225 353 W HA 0.748 5.408 4.660 0.001 0.000 0.377 353 W C -0.359 176.123 176.519 -0.062 0.000 1.418 353 W CA -1.252 55.983 57.345 -0.183 0.000 1.562 353 W CB 0.522 29.852 29.460 -0.217 0.000 1.297 353 W HN 0.262 nan 8.180 nan 0.000 0.686 354 V N 2.921 122.916 119.914 0.134 0.000 2.407 354 V HA 0.677 4.797 4.120 0.001 0.000 0.278 354 V C 0.766 176.938 176.094 0.130 0.000 1.037 354 V CA 0.336 62.673 62.300 0.063 0.000 0.900 354 V CB -0.027 31.834 31.823 0.064 0.000 0.983 354 V HN 1.270 nan 8.190 nan 0.000 0.459 355 G N 5.198 114.029 108.800 0.053 0.000 2.795 355 G HA2 -0.190 3.770 3.960 0.001 0.000 0.664 355 G HA3 -0.190 3.770 3.960 0.001 0.000 0.664 355 G C 0.358 175.351 174.900 0.154 0.000 1.381 355 G CA 0.193 45.349 45.100 0.094 0.000 0.853 355 G HN 0.643 nan 8.290 nan 0.000 0.545 356 R N -0.746 119.833 120.500 0.132 0.000 2.061 356 R HA 0.084 4.425 4.340 0.001 0.000 0.230 356 R C 2.022 178.318 176.300 -0.006 0.000 1.140 356 R CA 2.229 58.367 56.100 0.062 0.000 0.940 356 R CB -0.133 30.205 30.300 0.062 0.000 0.839 356 R HN 0.471 nan 8.270 nan 0.000 0.429 357 F N -0.884 119.202 119.950 0.226 0.000 2.784 357 F HA 0.272 4.800 4.527 0.001 0.000 0.323 357 F C 0.502 176.327 175.800 0.041 0.000 1.085 357 F CA -0.389 57.687 58.000 0.128 0.000 1.196 357 F CB 0.750 39.823 39.000 0.122 0.000 1.053 357 F HN -0.057 nan 8.300 nan 0.000 0.578 358 R N -1.137 119.496 120.500 0.221 0.000 2.765 358 R HA 0.339 4.679 4.340 0.001 0.000 0.277 358 R C -3.402 172.954 176.300 0.093 0.000 1.028 358 R CA -1.714 54.445 56.100 0.098 0.000 0.860 358 R CB 0.175 30.481 30.300 0.010 0.000 1.270 358 R HN -0.344 nan 8.270 nan 0.000 0.484 359 P HA -0.018 nan 4.420 nan 0.000 0.264 359 P C -0.203 177.118 177.300 0.035 0.000 1.183 359 P CA 0.252 63.372 63.100 0.032 0.000 0.763 359 P CB 0.723 32.420 31.700 -0.006 0.000 0.807 360 S N 2.162 117.897 115.700 0.058 0.000 2.576 360 S HA 0.119 4.590 4.470 0.001 0.000 0.272 360 S C 0.249 174.874 174.600 0.042 0.000 1.352 360 S CA -0.669 57.581 58.200 0.084 0.000 1.021 360 S CB 0.361 63.631 63.200 0.117 0.000 0.887 360 S HN 0.526 nan 8.310 nan 0.000 0.542 361 E N 1.342 121.585 120.200 0.071 0.000 2.313 361 E HA 0.406 4.756 4.350 0.001 0.000 0.272 361 E C -2.821 173.767 176.600 -0.020 0.000 1.038 361 E CA -2.417 53.976 56.400 -0.012 0.000 0.863 361 E CB 0.485 30.175 29.700 -0.016 0.000 1.060 361 E HN 0.445 nan 8.360 nan 0.000 0.402 362 P HA 0.226 nan 4.420 nan 0.000 0.281 362 P C -0.720 176.426 177.300 -0.256 0.000 1.249 362 P CA -0.310 62.647 63.100 -0.239 0.000 0.810 362 P CB 0.761 31.981 31.700 -0.800 0.000 1.008 363 H N 1.980 121.045 119.070 -0.008 0.000 2.792 363 H HA 0.283 4.840 4.556 0.001 0.000 0.298 363 H C -0.211 175.202 175.328 0.141 0.000 1.042 363 H CA -0.350 55.778 56.048 0.133 0.000 1.300 363 H CB 0.190 30.067 29.762 0.192 0.000 1.431 363 H HN 0.308 nan 8.280 nan 0.000 0.496 364 F N 1.840 121.949 119.950 0.266 0.000 2.410 364 F HA 0.042 4.569 4.527 0.001 0.000 0.334 364 F C 1.704 177.686 175.800 0.302 0.000 1.134 364 F CA -0.297 57.875 58.000 0.287 0.000 1.227 364 F CB 0.893 39.993 39.000 0.168 0.000 1.194 364 F HN 0.364 nan 8.300 nan 0.000 0.571 365 T N -0.035 114.808 114.554 0.481 0.000 2.754 365 T HA 0.231 4.582 4.350 0.001 0.000 0.286 365 T C 1.376 176.262 174.700 0.311 0.000 0.997 365 T CA -0.723 61.600 62.100 0.372 0.000 0.982 365 T CB 0.559 69.634 68.868 0.344 0.000 1.027 365 T HN 0.556 nan 8.240 nan 0.000 0.529 366 L N 0.848 122.211 121.223 0.233 0.000 2.013 366 L HA -0.130 4.210 4.340 0.001 0.000 0.212 366 L C 2.492 179.472 176.870 0.183 0.000 1.073 366 L CA 2.102 57.055 54.840 0.188 0.000 0.753 366 L CB -0.777 41.369 42.059 0.145 0.000 0.890 366 L HN 0.858 nan 8.230 nan 0.000 0.432 367 D N -0.867 119.644 120.400 0.185 0.000 2.363 367 D HA -0.005 4.636 4.640 0.001 0.000 0.220 367 D C 1.522 177.937 176.300 0.191 0.000 0.994 367 D CA 0.770 54.870 54.000 0.166 0.000 0.890 367 D CB -0.224 40.664 40.800 0.145 0.000 0.906 367 D HN 0.295 nan 8.370 nan 0.000 0.530 368 G N 0.483 109.441 108.800 0.263 0.000 2.155 368 G HA2 -0.360 3.601 3.960 0.001 0.000 0.257 368 G HA3 -0.360 3.601 3.960 0.001 0.000 0.257 368 G C 0.929 176.042 174.900 0.355 0.000 0.983 368 G CA 0.426 45.715 45.100 0.314 0.000 0.676 368 G HN 0.362 nan 8.290 nan 0.000 0.528 369 N N 0.123 118.998 118.700 0.293 0.000 2.422 369 N HA 0.162 4.902 4.740 0.001 0.000 0.181 369 N C 1.057 176.704 175.510 0.229 0.000 1.080 369 N CA 1.187 54.378 53.050 0.235 0.000 0.893 369 N CB 0.360 38.942 38.487 0.158 0.000 0.973 369 N HN 0.910 nan 8.380 nan 0.000 0.456 370 S N -0.545 115.319 115.700 0.273 0.000 2.625 370 S HA 0.773 5.244 4.470 0.001 0.000 0.271 370 S C -0.962 173.722 174.600 0.140 0.000 1.161 370 S CA -1.004 57.237 58.200 0.069 0.000 0.820 370 S CB 1.851 65.001 63.200 -0.084 0.000 1.137 370 S HN 0.131 nan 8.310 nan 0.000 0.470 371 F N -2.096 117.676 119.950 -0.297 0.000 2.713 371 F HA 0.804 5.332 4.527 0.001 0.000 0.311 371 F C -2.227 173.372 175.800 -0.334 0.000 1.141 371 F CA -1.526 56.234 58.000 -0.400 0.000 0.939 371 F CB 0.562 38.929 39.000 -1.055 0.000 1.325 371 F HN 0.603 nan 8.300 nan 0.000 0.453 372 Y N 1.236 121.679 120.300 0.238 0.000 2.409 372 Y HA 0.714 5.265 4.550 0.001 0.000 0.339 372 Y C -0.210 175.853 175.900 0.272 0.000 1.033 372 Y CA -0.830 57.392 58.100 0.202 0.000 1.094 372 Y CB 2.161 40.684 38.460 0.107 0.000 1.210 372 Y HN 0.762 nan 8.280 nan 0.000 0.456 373 K N 2.575 123.196 120.400 0.368 0.000 2.557 373 K HA 0.518 4.839 4.320 0.001 0.000 0.261 373 K C -1.885 174.850 176.600 0.225 0.000 0.932 373 K CA -0.524 55.948 56.287 0.309 0.000 0.829 373 K CB 1.573 34.245 32.500 0.288 0.000 1.358 373 K HN 0.718 nan 8.250 nan 0.000 0.430 374 I N 6.093 126.768 120.570 0.175 0.000 2.416 374 I HA 0.331 4.501 4.170 0.001 0.000 0.288 374 I C 0.098 176.300 176.117 0.141 0.000 1.051 374 I CA -0.410 60.968 61.300 0.130 0.000 1.375 374 I CB 0.522 38.580 38.000 0.097 0.000 1.407 374 I HN 0.503 nan 8.210 nan 0.000 0.516 375 I N 1.777 122.450 120.570 0.173 0.000 2.913 375 I HA 0.421 4.592 4.170 0.001 0.000 0.302 375 I C -0.401 175.837 176.117 0.202 0.000 1.246 375 I CA -0.795 60.608 61.300 0.172 0.000 1.010 375 I CB 2.130 40.245 38.000 0.191 0.000 1.259 375 I HN 0.352 nan 8.210 nan 0.000 0.434 376 S N 3.105 118.856 115.700 0.086 0.000 2.516 376 S HA 0.197 4.668 4.470 0.001 0.000 0.282 376 S C 0.095 174.720 174.600 0.042 0.000 1.286 376 S CA -0.406 57.789 58.200 -0.009 0.000 1.066 376 S CB -0.305 62.831 63.200 -0.108 0.000 0.884 376 S HN 0.823 nan 8.310 nan 0.000 0.491 377 N N 4.170 122.783 118.700 -0.145 0.000 2.374 377 N HA 0.177 4.917 4.740 0.001 0.000 0.284 377 N C 0.700 176.075 175.510 -0.224 0.000 1.280 377 N CA -0.351 52.434 53.050 -0.442 0.000 0.963 377 N CB -0.029 37.813 38.487 -1.076 0.000 1.141 377 N HN 0.507 nan 8.380 nan 0.000 0.565 378 E N -0.852 119.208 120.200 -0.234 0.000 2.338 378 E HA -0.124 4.227 4.350 0.001 0.000 0.197 378 E C 0.505 177.037 176.600 -0.113 0.000 1.007 378 E CA 0.873 57.197 56.400 -0.127 0.000 0.849 378 E CB -0.083 29.555 29.700 -0.103 0.000 0.774 378 E HN 0.591 nan 8.360 nan 0.000 0.506 379 E N -0.545 119.584 120.200 -0.119 0.000 2.478 379 E HA 0.090 4.441 4.350 0.001 0.000 0.194 379 E C 0.987 177.540 176.600 -0.078 0.000 1.045 379 E CA 0.567 56.951 56.400 -0.026 0.000 0.868 379 E CB 0.302 30.044 29.700 0.070 0.000 0.885 379 E HN 0.323 nan 8.360 nan 0.000 0.505 380 G N -0.181 108.519 108.800 -0.167 0.000 2.141 380 G HA2 -0.297 3.664 3.960 0.001 0.000 0.242 380 G HA3 -0.297 3.664 3.960 0.001 0.000 0.242 380 G C -0.344 174.273 174.900 -0.472 0.000 0.982 380 G CA 0.096 45.004 45.100 -0.319 0.000 0.662 380 G HN 0.229 nan 8.290 nan 0.000 0.527 381 Y N 0.179 120.348 120.300 -0.219 0.000 2.342 381 Y HA 0.629 5.180 4.550 0.001 0.000 0.334 381 Y C 1.163 176.896 175.900 -0.277 0.000 1.067 381 Y CA -0.907 57.047 58.100 -0.243 0.000 1.128 381 Y CB 1.055 39.391 38.460 -0.206 0.000 1.200 381 Y HN 0.084 nan 8.280 nan 0.000 0.464 382 R N 3.813 124.172 120.500 -0.235 0.000 2.296 382 R HA 0.229 4.570 4.340 0.001 0.000 0.323 382 R C -0.722 175.279 176.300 -0.499 0.000 1.067 382 R CA 0.080 56.043 56.100 -0.229 0.000 0.946 382 R CB 0.021 30.237 30.300 -0.140 0.000 0.991 382 R HN 0.653 nan 8.270 nan 0.000 0.448 383 H N 1.739 120.782 119.070 -0.045 0.000 2.949 383 H HA 0.345 4.902 4.556 0.001 0.000 0.356 383 H C -0.137 175.237 175.328 0.077 0.000 1.212 383 H CA -0.962 55.037 56.048 -0.081 0.000 1.136 383 H CB 1.588 31.225 29.762 -0.208 0.000 1.869 383 H HN 0.311 nan 8.280 nan 0.000 0.556 384 I N 1.276 121.908 120.570 0.103 0.000 2.416 384 I HA 0.060 4.231 4.170 0.001 0.000 0.288 384 I C 0.380 176.495 176.117 -0.003 0.000 1.051 384 I CA 0.073 61.393 61.300 0.033 0.000 1.375 384 I CB 0.398 38.338 38.000 -0.101 0.000 1.407 384 I HN 0.138 nan 8.210 nan 0.000 0.516 385 c N 7.106 125.627 118.600 -0.131 0.000 2.411 385 c HA 0.449 5.020 4.570 0.001 0.000 0.330 385 c C -0.464 173.454 174.090 -0.287 0.000 1.224 385 c CA -0.458 55.555 56.329 -0.527 0.000 1.770 385 c CB 0.999 42.888 42.510 -1.036 0.000 2.297 385 c HN 0.642 nan 8.230 nan 0.000 0.507 386 Y N 4.530 124.478 120.300 -0.586 0.000 2.331 386 Y HA 0.658 5.208 4.550 0.001 0.000 0.338 386 Y C -1.038 174.418 175.900 -0.739 0.000 0.976 386 Y CA -1.145 56.574 58.100 -0.635 0.000 1.137 386 Y CB 0.250 38.437 38.460 -0.455 0.000 1.172 386 Y HN 0.632 nan 8.280 nan 0.000 0.478 387 F N 3.704 122.918 119.950 -1.227 0.000 2.492 387 F HA 0.468 4.996 4.527 0.001 0.000 0.327 387 F C -0.114 174.943 175.800 -1.240 0.000 1.079 387 F CA -1.046 56.170 58.000 -1.308 0.000 0.967 387 F CB 1.585 39.444 39.000 -1.902 0.000 1.169 387 F HN 0.267 nan 8.300 nan 0.000 0.472 388 Q N 2.119 121.592 119.800 -0.545 0.000 2.271 388 Q HA 0.330 4.671 4.340 0.001 0.000 0.258 388 Q C 0.943 176.923 176.000 -0.033 0.000 0.936 388 Q CA -0.298 55.317 55.803 -0.314 0.000 0.909 388 Q CB 1.535 30.140 28.738 -0.222 0.000 1.253 388 Q HN 0.712 nan 8.270 nan 0.000 0.440 389 I N -0.491 120.153 120.570 0.123 0.000 2.399 389 I HA -0.156 4.014 4.170 0.001 0.000 0.254 389 I C 0.391 176.719 176.117 0.351 0.000 1.146 389 I CA 1.534 63.052 61.300 0.364 0.000 1.412 389 I CB 0.034 38.247 38.000 0.355 0.000 1.076 389 I HN 0.430 nan 8.210 nan 0.000 0.432 390 D N 0.601 121.103 120.400 0.169 0.000 2.892 390 D HA 0.312 4.953 4.640 0.001 0.000 0.291 390 D C -0.380 175.946 176.300 0.044 0.000 1.341 390 D CA -0.400 53.649 54.000 0.081 0.000 0.844 390 D CB 0.347 41.176 40.800 0.049 0.000 1.093 390 D HN 0.158 nan 8.370 nan 0.000 0.480 391 K N 0.334 120.788 120.400 0.091 0.000 2.507 391 K HA 0.257 4.578 4.320 0.001 0.000 0.251 391 K C 0.692 177.354 176.600 0.102 0.000 0.943 391 K CA -0.656 55.654 56.287 0.038 0.000 0.794 391 K CB 2.586 35.071 32.500 -0.026 0.000 1.188 391 K HN -0.108 nan 8.250 nan 0.000 0.428 392 K N 1.337 121.752 120.400 0.025 0.000 2.097 392 K HA -0.016 4.304 4.320 0.001 0.000 0.205 392 K C -0.452 176.172 176.600 0.040 0.000 1.050 392 K CA 1.293 57.604 56.287 0.041 0.000 0.938 392 K CB 0.295 32.788 32.500 -0.011 0.000 0.718 392 K HN 0.558 nan 8.250 nan 0.000 0.442 393 D N 1.077 121.448 120.400 -0.049 0.000 2.210 393 D HA 0.105 4.746 4.640 0.001 0.000 0.249 393 D C -0.186 175.927 176.300 -0.312 0.000 1.062 393 D CA -0.337 53.575 54.000 -0.147 0.000 0.891 393 D CB 1.440 42.166 40.800 -0.124 0.000 1.186 393 D HN 0.329 nan 8.370 nan 0.000 0.432 394 c N 0.113 118.377 118.600 -0.561 0.000 2.401 394 c HA 0.811 5.382 4.570 0.001 0.000 0.356 394 c C 0.168 173.862 174.090 -0.660 0.000 1.192 394 c CA -0.565 55.205 56.329 -0.932 0.000 2.028 394 c CB 1.141 42.427 42.510 -2.041 0.000 2.344 394 c HN 0.471 nan 8.230 nan 0.000 0.525 395 T N 2.184 116.402 114.554 -0.560 0.000 2.779 395 T HA 0.483 4.834 4.350 0.001 0.000 0.280 395 T C -0.687 173.800 174.700 -0.356 0.000 0.987 395 T CA 0.137 62.056 62.100 -0.302 0.000 0.966 395 T CB 0.396 69.232 68.868 -0.054 0.000 0.933 395 T HN 0.499 nan 8.240 nan 0.000 0.442 396 F N 3.324 123.161 119.950 -0.189 0.000 2.495 396 F HA 0.256 4.784 4.527 0.001 0.000 0.365 396 F C 1.628 177.270 175.800 -0.263 0.000 1.090 396 F CA -0.770 57.103 58.000 -0.212 0.000 1.235 396 F CB 0.445 39.321 39.000 -0.206 0.000 1.119 396 F HN 0.575 nan 8.300 nan 0.000 0.562 397 I N -0.643 119.799 120.570 -0.213 0.000 3.941 397 I HA 0.221 4.392 4.170 0.001 0.000 0.321 397 I C 0.205 176.137 176.117 -0.308 0.000 1.284 397 I CA 0.125 61.084 61.300 -0.567 0.000 1.226 397 I CB 0.027 37.403 38.000 -1.040 0.000 1.045 397 I HN 0.486 nan 8.210 nan 0.000 0.420 398 T N 0.255 114.699 114.554 -0.182 0.000 2.906 398 T HA 0.716 5.066 4.350 0.001 0.000 0.295 398 T C -0.692 173.687 174.700 -0.534 0.000 1.075 398 T CA -0.728 61.265 62.100 -0.179 0.000 1.005 398 T CB 2.616 71.446 68.868 -0.063 0.000 1.136 398 T HN 0.478 nan 8.240 nan 0.000 0.498 399 K N -0.385 119.535 120.400 -0.800 0.000 2.607 399 K HA 0.767 5.088 4.320 0.001 0.000 0.287 399 K C -0.546 175.424 176.600 -1.051 0.000 0.996 399 K CA -0.989 54.516 56.287 -1.304 0.000 0.876 399 K CB 1.381 33.492 32.500 -0.648 0.000 1.496 399 K HN 1.569 nan 8.250 nan 0.000 0.415 400 G N 0.013 108.200 108.800 -1.021 0.000 2.339 400 G HA2 0.101 4.061 3.960 0.001 0.000 0.381 400 G HA3 0.101 4.061 3.960 0.001 0.000 0.381 400 G C -0.854 173.498 174.900 -0.914 0.000 1.400 400 G CA -0.390 44.288 45.100 -0.703 0.000 1.002 400 G HN 0.992 nan 8.290 nan 0.000 0.633 401 T N -0.319 113.843 114.554 -0.653 0.000 3.855 401 T HA 0.584 4.935 4.350 0.001 0.000 0.306 401 T C 0.191 174.670 174.700 -0.368 0.000 1.575 401 T CA 0.468 61.955 62.100 -1.023 0.000 1.214 401 T CB -0.887 67.636 68.868 -0.573 0.000 1.262 401 T HN 1.545 nan 8.240 nan 0.000 0.883 402 W N -0.220 120.893 121.300 -0.313 0.000 2.881 402 W HA 0.624 5.285 4.660 0.001 0.000 0.380 402 W C -1.570 174.940 176.519 -0.014 0.000 1.170 402 W CA -0.967 56.352 57.345 -0.042 0.000 1.171 402 W CB 0.586 30.017 29.460 -0.049 0.000 1.464 402 W HN 0.232 nan 8.180 nan 0.000 0.574 403 E N 0.690 121.074 120.200 0.306 0.000 2.367 403 E HA 0.451 4.802 4.350 0.001 0.000 0.273 403 E C -1.253 175.459 176.600 0.186 0.000 0.903 403 E CA -1.149 55.232 56.400 -0.033 0.000 0.764 403 E CB 3.412 33.128 29.700 0.028 0.000 1.252 403 E HN 0.160 nan 8.360 nan 0.000 0.446 404 V N 3.711 123.600 119.914 -0.042 0.000 2.488 404 V HA 0.024 4.145 4.120 0.001 0.000 0.277 404 V C 1.198 177.374 176.094 0.137 0.000 1.046 404 V CA -0.001 62.367 62.300 0.114 0.000 0.986 404 V CB 0.653 32.428 31.823 -0.081 0.000 0.989 404 V HN 0.689 nan 8.190 nan 0.000 0.475 405 I N 3.114 123.799 120.570 0.192 0.000 2.400 405 I HA 0.246 4.417 4.170 0.001 0.000 0.248 405 I C 1.104 177.329 176.117 0.180 0.000 1.109 405 I CA 1.221 62.629 61.300 0.179 0.000 1.425 405 I CB -0.695 37.356 38.000 0.085 0.000 1.094 405 I HN 0.744 nan 8.210 nan 0.000 0.425 406 G N 0.676 109.582 108.800 0.177 0.000 2.632 406 G HA2 0.547 4.508 3.960 0.001 0.000 0.292 406 G HA3 0.547 4.508 3.960 0.001 0.000 0.292 406 G C -1.309 173.673 174.900 0.137 0.000 1.465 406 G CA -0.543 44.653 45.100 0.159 0.000 0.824 406 G HN -0.041 nan 8.290 nan 0.000 0.509 407 I N 1.470 122.048 120.570 0.014 0.000 2.342 407 I HA 0.269 4.440 4.170 0.001 0.000 0.291 407 I C 0.673 176.727 176.117 -0.105 0.000 1.010 407 I CA -0.544 60.669 61.300 -0.145 0.000 1.308 407 I CB 1.776 39.423 38.000 -0.590 0.000 1.400 407 I HN 0.503 nan 8.210 nan 0.000 0.488 408 E N 4.850 125.047 120.200 -0.005 0.000 2.290 408 E HA 0.346 4.697 4.350 0.001 0.000 0.197 408 E C 0.095 176.624 176.600 -0.119 0.000 0.948 408 E CA 0.213 56.643 56.400 0.051 0.000 0.895 408 E CB 0.877 30.695 29.700 0.197 0.000 0.865 408 E HN 0.662 nan 8.360 nan 0.000 0.486 409 A N 0.641 123.293 122.820 -0.280 0.000 2.605 409 A HA 0.614 4.935 4.320 0.001 0.000 0.294 409 A C -1.988 175.514 177.584 -0.136 0.000 1.062 409 A CA -0.630 51.172 52.037 -0.393 0.000 0.682 409 A CB 1.336 19.579 19.000 -1.261 0.000 1.278 409 A HN 0.037 nan 8.150 nan 0.000 0.410 410 L N 1.301 122.490 121.223 -0.058 0.000 2.438 410 L HA 0.838 5.179 4.340 0.001 0.000 0.270 410 L C 0.089 176.986 176.870 0.045 0.000 0.972 410 L CA 0.526 55.366 54.840 0.001 0.000 0.831 410 L CB 2.117 44.205 42.059 0.047 0.000 1.273 410 L HN 1.258 nan 8.230 nan 0.000 0.405 411 T N -0.406 114.188 114.554 0.066 0.000 2.858 411 T HA 0.433 4.783 4.350 0.001 0.000 0.285 411 T C 0.935 175.665 174.700 0.050 0.000 1.052 411 T CA 0.078 62.228 62.100 0.083 0.000 1.009 411 T CB 1.177 70.130 68.868 0.142 0.000 1.241 411 T HN 0.648 nan 8.240 nan 0.000 0.542 412 S N -0.550 115.179 115.700 0.048 0.000 2.453 412 S HA -0.050 4.421 4.470 0.001 0.000 0.231 412 S C 0.876 175.445 174.600 -0.050 0.000 1.005 412 S CA 0.866 59.081 58.200 0.024 0.000 0.949 412 S CB -0.471 62.750 63.200 0.035 0.000 0.774 412 S HN 0.699 nan 8.310 nan 0.000 0.510 413 D N -0.563 119.784 120.400 -0.088 0.000 2.379 413 D HA 0.244 4.884 4.640 0.001 0.000 0.218 413 D C -0.390 175.572 176.300 -0.563 0.000 1.006 413 D CA 0.649 54.463 54.000 -0.310 0.000 0.893 413 D CB 0.282 40.893 40.800 -0.316 0.000 1.019 413 D HN 0.432 nan 8.370 nan 0.000 0.503 414 Y N -0.194 120.027 120.300 -0.131 0.000 2.576 414 Y HA 0.501 5.052 4.550 0.001 0.000 0.346 414 Y C -0.538 175.165 175.900 -0.327 0.000 1.018 414 Y CA -1.041 56.885 58.100 -0.290 0.000 1.050 414 Y CB 2.549 40.696 38.460 -0.521 0.000 1.280 414 Y HN -0.282 nan 8.280 nan 0.000 0.474 415 L N 2.414 123.502 121.223 -0.224 0.000 2.356 415 L HA 0.600 4.941 4.340 0.001 0.000 0.277 415 L C -1.911 174.827 176.870 -0.220 0.000 0.996 415 L CA -0.615 54.085 54.840 -0.235 0.000 0.822 415 L CB 0.972 42.794 42.059 -0.396 0.000 1.256 415 L HN 0.605 nan 8.230 nan 0.000 0.413 416 Y N 4.817 125.024 120.300 -0.156 0.000 2.330 416 Y HA 0.558 5.109 4.550 0.001 0.000 0.336 416 Y C -0.418 175.465 175.900 -0.027 0.000 1.036 416 Y CA -0.330 57.669 58.100 -0.168 0.000 1.125 416 Y CB 1.319 39.551 38.460 -0.379 0.000 1.194 416 Y HN 0.536 nan 8.280 nan 0.000 0.469 417 Y N 0.610 120.960 120.300 0.084 0.000 2.625 417 Y HA 0.767 5.318 4.550 0.001 0.000 0.338 417 Y C -1.832 174.150 175.900 0.137 0.000 1.123 417 Y CA -1.817 56.329 58.100 0.076 0.000 1.046 417 Y CB 1.078 39.558 38.460 0.034 0.000 1.299 417 Y HN 0.277 nan 8.280 nan 0.000 0.464 418 I N 3.203 123.934 120.570 0.268 0.000 2.377 418 I HA 0.590 4.760 4.170 0.001 0.000 0.293 418 I C -0.132 176.176 176.117 0.318 0.000 0.987 418 I CA -0.241 61.169 61.300 0.182 0.000 1.185 418 I CB 1.346 39.406 38.000 0.101 0.000 1.341 418 I HN 0.879 nan 8.210 nan 0.000 0.455 419 S N 4.071 119.936 115.700 0.274 0.000 2.638 419 S HA 0.462 4.933 4.470 0.001 0.000 0.274 419 S C -0.283 174.388 174.600 0.118 0.000 1.157 419 S CA -0.813 57.537 58.200 0.251 0.000 0.826 419 S CB 1.924 65.303 63.200 0.297 0.000 1.139 419 S HN 0.575 nan 8.310 nan 0.000 0.474 420 N N -0.271 118.492 118.700 0.105 0.000 2.321 420 N HA 0.120 4.861 4.740 0.001 0.000 0.242 420 N C 0.622 176.120 175.510 -0.021 0.000 1.141 420 N CA -0.142 52.925 53.050 0.028 0.000 0.864 420 N CB 0.182 38.675 38.487 0.009 0.000 1.100 420 N HN 0.842 nan 8.380 nan 0.000 0.510 421 E N -0.088 119.965 120.200 -0.246 0.000 2.106 421 E HA -0.217 4.134 4.350 0.001 0.000 0.192 421 E C -0.310 176.141 176.600 -0.249 0.000 0.984 421 E CA 0.266 56.280 56.400 -0.644 0.000 0.806 421 E CB -0.122 28.512 29.700 -1.777 0.000 0.750 421 E HN 0.394 nan 8.360 nan 0.000 0.458 422 Y N 2.112 122.319 120.300 -0.155 0.000 2.805 422 Y HA -0.131 4.420 4.550 0.001 0.000 0.331 422 Y C 0.381 176.240 175.900 -0.068 0.000 1.241 422 Y CA 0.874 58.931 58.100 -0.072 0.000 1.546 422 Y CB 0.089 38.535 38.460 -0.024 0.000 1.248 422 Y HN 0.090 nan 8.280 nan 0.000 0.559 423 K N 3.566 123.623 120.400 -0.571 0.000 3.048 423 K HA -0.257 4.063 4.320 0.001 0.000 0.274 423 K C 0.900 177.398 176.600 -0.170 0.000 1.098 423 K CA 0.804 56.825 56.287 -0.443 0.000 0.807 423 K CB -1.743 30.427 32.500 -0.550 0.000 1.217 423 K HN 1.270 nan 8.250 nan 0.000 0.477 424 G N 0.471 109.198 108.800 -0.122 0.000 2.233 424 G HA2 -0.340 3.620 3.960 0.001 0.000 0.270 424 G HA3 -0.340 3.620 3.960 0.001 0.000 0.270 424 G C 0.055 174.922 174.900 -0.056 0.000 1.011 424 G CA 0.907 45.986 45.100 -0.034 0.000 0.762 424 G HN 0.353 nan 8.290 nan 0.000 0.511 425 M N 1.003 120.505 119.600 -0.164 0.000 2.069 425 M HA 0.235 4.716 4.480 0.001 0.000 0.349 425 M C -0.825 175.246 176.300 -0.382 0.000 1.194 425 M CA -1.973 53.080 55.300 -0.412 0.000 1.081 425 M CB 1.536 33.952 32.600 -0.307 0.000 1.500 425 M HN -0.066 nan 8.290 nan 0.000 0.438 426 P HA -0.079 nan 4.420 nan 0.000 0.222 426 P C 0.973 178.146 177.300 -0.213 0.000 1.147 426 P CA 1.169 64.110 63.100 -0.264 0.000 0.790 426 P CB 0.140 31.700 31.700 -0.233 0.000 0.780 427 G N -0.586 108.024 108.800 -0.318 0.000 3.233 427 G HA2 0.331 4.292 3.960 0.001 0.000 0.227 427 G HA3 0.331 4.292 3.960 0.001 0.000 0.227 427 G C 0.595 175.512 174.900 0.028 0.000 1.175 427 G CA 0.043 45.081 45.100 -0.103 0.000 0.781 427 G HN 0.429 nan 8.290 nan 0.000 0.542 428 G N -0.096 108.665 108.800 -0.065 0.000 2.473 428 G HA2 0.656 4.616 3.960 0.001 0.000 0.321 428 G HA3 0.656 4.616 3.960 0.001 0.000 0.321 428 G C -0.879 173.920 174.900 -0.168 0.000 1.200 428 G CA -0.798 44.293 45.100 -0.015 0.000 0.963 428 G HN 0.087 nan 8.290 nan 0.000 0.483 429 R N 1.315 121.658 120.500 -0.262 0.000 2.574 429 R HA 0.449 4.790 4.340 0.001 0.000 0.288 429 R C -1.240 175.020 176.300 -0.066 0.000 1.004 429 R CA -0.832 55.093 56.100 -0.293 0.000 0.895 429 R CB 2.181 32.061 30.300 -0.700 0.000 1.191 429 R HN 0.582 nan 8.270 nan 0.000 0.444 430 N N 1.526 120.208 118.700 -0.030 0.000 2.357 430 N HA 0.352 5.092 4.740 0.001 0.000 0.284 430 N C -1.280 174.079 175.510 -0.252 0.000 1.236 430 N CA -0.833 52.111 53.050 -0.177 0.000 0.774 430 N CB 2.674 40.952 38.487 -0.349 0.000 1.534 430 N HN 0.254 nan 8.380 nan 0.000 0.478 431 L N 1.958 122.888 121.223 -0.489 0.000 2.292 431 L HA 0.490 4.831 4.340 0.001 0.000 0.284 431 L C -1.442 175.020 176.870 -0.680 0.000 1.065 431 L CA 0.004 54.589 54.840 -0.425 0.000 0.806 431 L CB -0.021 41.798 42.059 -0.401 0.000 1.175 431 L HN 0.413 nan 8.230 nan 0.000 0.431 432 Y N 3.278 123.222 120.300 -0.593 0.000 2.570 432 Y HA 0.636 5.187 4.550 0.001 0.000 0.345 432 Y C -0.511 175.003 175.900 -0.644 0.000 1.014 432 Y CA -0.933 56.758 58.100 -0.682 0.000 1.063 432 Y CB 1.718 39.590 38.460 -0.980 0.000 1.272 432 Y HN 0.558 nan 8.280 nan 0.000 0.477 433 K N 1.857 122.065 120.400 -0.319 0.000 2.422 433 K HA 0.786 5.107 4.320 0.001 0.000 0.251 433 K C -1.868 174.666 176.600 -0.109 0.000 0.933 433 K CA -0.754 55.270 56.287 -0.438 0.000 0.798 433 K CB 2.924 34.896 32.500 -0.881 0.000 1.238 433 K HN 0.758 nan 8.250 nan 0.000 0.428 434 I N 1.795 122.382 120.570 0.029 0.000 2.465 434 I HA 0.163 4.334 4.170 0.001 0.000 0.291 434 I C -0.771 175.438 176.117 0.153 0.000 1.014 434 I CA -0.795 60.597 61.300 0.153 0.000 1.093 434 I CB 2.090 40.200 38.000 0.184 0.000 1.267 434 I HN 0.823 nan 8.210 nan 0.000 0.431 435 Q N 6.153 126.038 119.800 0.141 0.000 2.262 435 Q HA 0.164 4.505 4.340 0.001 0.000 0.272 435 Q C 0.506 176.460 176.000 -0.077 0.000 1.076 435 Q CA -0.073 55.646 55.803 -0.139 0.000 0.905 435 Q CB 1.031 29.720 28.738 -0.081 0.000 1.182 435 Q HN 0.803 nan 8.270 nan 0.000 0.390 436 L N 2.337 123.451 121.223 -0.182 0.000 2.265 436 L HA -0.180 4.161 4.340 0.001 0.000 0.215 436 L C 2.150 178.950 176.870 -0.116 0.000 1.117 436 L CA 1.215 56.032 54.840 -0.038 0.000 0.782 436 L CB -0.337 41.654 42.059 -0.113 0.000 0.914 436 L HN 0.646 nan 8.230 nan 0.000 0.441 437 S N -2.584 112.998 115.700 -0.195 0.000 2.501 437 S HA -0.029 4.441 4.470 0.001 0.000 0.220 437 S C 0.566 175.000 174.600 -0.277 0.000 0.997 437 S CA 0.033 58.099 58.200 -0.224 0.000 0.919 437 S CB 0.121 63.220 63.200 -0.169 0.000 0.778 437 S HN 0.354 nan 8.310 nan 0.000 0.523 438 D N -0.091 120.169 120.400 -0.235 0.000 2.337 438 D HA 0.209 4.849 4.640 0.001 0.000 0.238 438 D C -0.538 175.740 176.300 -0.037 0.000 1.331 438 D CA -0.582 53.305 54.000 -0.188 0.000 0.967 438 D CB 0.165 40.907 40.800 -0.097 0.000 1.382 438 D HN -0.013 nan 8.370 nan 0.000 0.549 439 Y N 0.922 121.205 120.300 -0.030 0.000 2.651 439 Y HA -0.097 4.454 4.550 0.001 0.000 0.296 439 Y C 2.544 178.450 175.900 0.010 0.000 1.150 439 Y CA 1.368 59.461 58.100 -0.011 0.000 1.348 439 Y CB -0.981 37.472 38.460 -0.011 0.000 0.983 439 Y HN 0.417 nan 8.280 nan 0.000 0.555 440 T N -2.672 111.959 114.554 0.127 0.000 3.113 440 T HA 0.002 4.353 4.350 0.001 0.000 0.256 440 T C 0.662 175.411 174.700 0.081 0.000 1.131 440 T CA 0.069 62.222 62.100 0.088 0.000 1.074 440 T CB -0.202 68.693 68.868 0.045 0.000 0.944 440 T HN 0.130 nan 8.240 nan 0.000 0.516 441 K N 2.096 122.549 120.400 0.088 0.000 2.231 441 K HA 0.486 4.807 4.320 0.001 0.000 0.255 441 K C -1.249 175.421 176.600 0.116 0.000 1.108 441 K CA -0.367 55.971 56.287 0.085 0.000 0.997 441 K CB 1.310 33.852 32.500 0.070 0.000 1.549 441 K HN 0.141 nan 8.250 nan 0.000 0.419 442 V N 2.236 122.216 119.914 0.110 0.000 2.398 442 V HA 0.265 4.386 4.120 0.001 0.000 0.286 442 V C -0.025 176.125 176.094 0.092 0.000 1.026 442 V CA -0.566 61.810 62.300 0.126 0.000 0.868 442 V CB 1.807 33.721 31.823 0.151 0.000 0.982 442 V HN 0.552 nan 8.190 nan 0.000 0.443 443 T N 3.613 118.195 114.554 0.046 0.000 2.809 443 T HA 0.241 4.592 4.350 0.001 0.000 0.284 443 T C -0.389 174.231 174.700 -0.134 0.000 0.992 443 T CA -0.273 61.804 62.100 -0.039 0.000 0.957 443 T CB 1.184 69.990 68.868 -0.102 0.000 0.942 443 T HN 0.776 nan 8.240 nan 0.000 0.439 444 C N 4.999 124.159 119.300 -0.233 0.000 2.499 444 C HA 0.428 4.889 4.460 0.001 0.000 0.386 444 C C 1.534 176.194 174.990 -0.549 0.000 1.293 444 C CA -0.476 58.122 59.018 -0.700 0.000 1.884 444 C CB -1.592 25.661 27.740 -0.812 0.000 2.509 444 C HN 0.987 nan 8.230 nan 0.000 0.566 445 L N 4.688 125.544 121.223 -0.612 0.000 2.616 445 L HA 0.131 4.472 4.340 0.001 0.000 0.229 445 L C 1.969 178.520 176.870 -0.532 0.000 1.110 445 L CA 0.592 55.162 54.840 -0.450 0.000 0.884 445 L CB -0.125 41.716 42.059 -0.363 0.000 1.115 445 L HN 0.885 nan 8.230 nan 0.000 0.481 446 S N -3.305 111.961 115.700 -0.723 0.000 2.628 446 S HA -0.010 4.461 4.470 0.001 0.000 0.246 446 S C 1.780 175.968 174.600 -0.687 0.000 1.062 446 S CA -0.082 57.582 58.200 -0.893 0.000 1.028 446 S CB -0.276 61.991 63.200 -1.555 0.000 0.985 446 S HN 0.277 nan 8.310 nan 0.000 0.551 447 C N 2.185 121.058 119.300 -0.711 0.000 2.385 447 C HA -0.035 4.426 4.460 0.001 0.000 0.275 447 C C 2.422 177.105 174.990 -0.511 0.000 1.207 447 C CA 1.575 60.101 59.018 -0.819 0.000 1.760 447 C CB -1.090 25.907 27.740 -1.237 0.000 2.051 447 C HN 0.616 nan 8.230 nan 0.000 0.467 448 E N -0.105 119.878 120.200 -0.361 0.000 2.463 448 E HA 0.198 4.549 4.350 0.001 0.000 0.193 448 E C 1.789 178.327 176.600 -0.102 0.000 1.041 448 E CA -0.071 56.222 56.400 -0.177 0.000 0.879 448 E CB -0.222 29.395 29.700 -0.139 0.000 0.997 448 E HN 0.561 nan 8.360 nan 0.000 0.478 449 L N 0.172 121.330 121.223 -0.107 0.000 2.046 449 L HA -0.062 4.279 4.340 0.001 0.000 0.208 449 L C 0.914 177.792 176.870 0.014 0.000 1.077 449 L CA 0.899 55.720 54.840 -0.032 0.000 0.747 449 L CB 0.023 42.079 42.059 -0.005 0.000 0.896 449 L HN 0.109 nan 8.230 nan 0.000 0.432 450 N N -1.486 117.239 118.700 0.040 0.000 3.111 450 N HA 0.066 4.806 4.740 0.001 0.000 0.200 450 N C -2.160 173.377 175.510 0.044 0.000 1.464 450 N CA -0.804 52.266 53.050 0.033 0.000 0.758 450 N CB 0.784 39.286 38.487 0.026 0.000 1.548 450 N HN -0.196 nan 8.380 nan 0.000 0.595 451 P HA -0.143 nan 4.420 nan 0.000 0.217 451 P C 0.705 178.047 177.300 0.070 0.000 1.148 451 P CA 1.280 64.430 63.100 0.083 0.000 0.828 451 P CB 0.727 32.492 31.700 0.108 0.000 0.783 452 E N -0.378 119.845 120.200 0.038 0.000 2.076 452 E HA -0.101 4.249 4.350 0.001 0.000 0.190 452 E C 2.429 179.029 176.600 -0.000 0.000 0.979 452 E CA 0.586 56.998 56.400 0.021 0.000 0.807 452 E CB -0.190 29.515 29.700 0.009 0.000 0.761 452 E HN 0.176 nan 8.360 nan 0.000 0.454 453 R N -0.060 120.429 120.500 -0.019 0.000 2.140 453 R HA 0.072 4.413 4.340 0.001 0.000 0.213 453 R C -0.136 176.113 176.300 -0.084 0.000 1.059 453 R CA 0.528 56.593 56.100 -0.057 0.000 1.000 453 R CB 0.391 30.648 30.300 -0.072 0.000 0.910 453 R HN 0.083 nan 8.270 nan 0.000 0.455 454 c N 1.028 119.588 118.600 -0.066 0.000 2.316 454 c HA 0.417 4.988 4.570 0.001 0.000 0.324 454 c C 0.013 174.078 174.090 -0.043 0.000 1.226 454 c CA -0.664 55.568 56.329 -0.163 0.000 1.450 454 c CB 1.318 43.679 42.510 -0.249 0.000 2.123 454 c HN 0.529 nan 8.230 nan 0.000 0.454 455 Q N 0.440 120.208 119.800 -0.053 0.000 2.113 455 Q HA 0.199 4.540 4.340 0.001 0.000 0.225 455 Q C -0.950 175.114 176.000 0.107 0.000 0.786 455 Q CA 0.101 55.957 55.803 0.088 0.000 0.989 455 Q CB 1.263 30.068 28.738 0.111 0.000 1.174 455 Q HN 0.800 nan 8.270 nan 0.000 0.470 456 Y N 0.449 120.639 120.300 -0.184 0.000 2.373 456 Y HA 0.367 4.918 4.550 0.001 0.000 0.327 456 Y C -1.599 174.155 175.900 -0.243 0.000 1.036 456 Y CA -1.013 57.008 58.100 -0.131 0.000 1.265 456 Y CB 0.696 39.090 38.460 -0.110 0.000 1.108 456 Y HN -0.076 nan 8.280 nan 0.000 0.471 457 Y N 2.181 122.420 120.300 -0.101 0.000 2.528 457 Y HA 0.672 5.223 4.550 0.001 0.000 0.335 457 Y C 0.255 176.105 175.900 -0.083 0.000 1.093 457 Y CA -0.573 57.478 58.100 -0.081 0.000 1.134 457 Y CB 2.214 40.592 38.460 -0.136 0.000 1.253 457 Y HN 0.492 nan 8.280 nan 0.000 0.478 458 S N 0.789 116.584 115.700 0.157 0.000 2.595 458 S HA 0.852 5.322 4.470 0.001 0.000 0.281 458 S C -1.729 172.945 174.600 0.122 0.000 1.117 458 S CA -0.719 57.554 58.200 0.122 0.000 0.873 458 S CB 1.793 65.076 63.200 0.139 0.000 1.108 458 S HN 0.640 nan 8.310 nan 0.000 0.477 459 V N 0.554 120.538 119.914 0.117 0.000 3.078 459 V HA 0.888 5.009 4.120 0.001 0.000 0.311 459 V C -1.148 175.030 176.094 0.140 0.000 1.138 459 V CA -0.322 62.024 62.300 0.077 0.000 1.007 459 V CB 2.359 34.160 31.823 -0.035 0.000 1.045 459 V HN 1.162 nan 8.190 nan 0.000 0.432 460 S N 3.938 119.708 115.700 0.117 0.000 2.779 460 S HA 0.671 5.142 4.470 0.001 0.000 0.293 460 S C -1.265 173.487 174.600 0.253 0.000 1.150 460 S CA -0.375 57.993 58.200 0.282 0.000 1.057 460 S CB 0.428 63.848 63.200 0.367 0.000 1.021 460 S HN 0.489 nan 8.310 nan 0.000 0.485 461 F N 3.020 123.038 119.950 0.114 0.000 2.379 461 F HA 0.456 4.984 4.527 0.001 0.000 0.332 461 F C 1.404 176.791 175.800 -0.689 0.000 1.096 461 F CA -0.289 57.607 58.000 -0.173 0.000 1.105 461 F CB 1.398 40.267 39.000 -0.218 0.000 1.189 461 F HN 0.611 nan 8.300 nan 0.000 0.515 462 S N 2.047 117.107 115.700 -1.067 0.000 2.626 462 S HA 0.154 4.625 4.470 0.001 0.000 0.257 462 S C 1.290 175.619 174.600 -0.452 0.000 1.288 462 S CA -0.776 56.534 58.200 -1.484 0.000 0.980 462 S CB 0.690 63.046 63.200 -1.407 0.000 0.975 462 S HN 0.559 nan 8.310 nan 0.000 0.577 463 K N 0.817 121.088 120.400 -0.215 0.000 2.077 463 K HA -0.125 4.195 4.320 0.001 0.000 0.213 463 K C 0.907 177.478 176.600 -0.048 0.000 1.051 463 K CA 1.671 57.931 56.287 -0.044 0.000 0.929 463 K CB -0.411 32.108 32.500 0.032 0.000 0.715 463 K HN 0.677 nan 8.250 nan 0.000 0.451 464 E N -1.011 119.133 120.200 -0.093 0.000 2.585 464 E HA 0.234 4.585 4.350 0.001 0.000 0.206 464 E C 0.031 176.577 176.600 -0.090 0.000 1.007 464 E CA 0.108 56.471 56.400 -0.062 0.000 1.028 464 E CB 0.671 30.344 29.700 -0.044 0.000 1.087 464 E HN 0.236 nan 8.360 nan 0.000 0.455 465 A N 1.247 123.997 122.820 -0.116 0.000 2.847 465 A HA -0.327 3.994 4.320 0.001 0.000 0.263 465 A C 1.541 179.078 177.584 -0.079 0.000 1.391 465 A CA 1.748 53.736 52.037 -0.083 0.000 0.866 465 A CB -2.054 16.804 19.000 -0.237 0.000 1.057 465 A HN 0.291 nan 8.150 nan 0.000 0.673 466 K N -1.816 118.467 120.400 -0.194 0.000 2.155 466 K HA 0.099 4.420 4.320 0.001 0.000 0.203 466 K C 0.134 176.372 176.600 -0.604 0.000 1.052 466 K CA 1.464 57.526 56.287 -0.374 0.000 0.948 466 K CB -0.019 32.213 32.500 -0.447 0.000 0.728 466 K HN 0.670 nan 8.250 nan 0.000 0.448 467 Y N -1.044 119.156 120.300 -0.167 0.000 2.581 467 Y HA 0.330 4.881 4.550 0.001 0.000 0.345 467 Y C -1.053 174.746 175.900 -0.168 0.000 1.036 467 Y CA -1.333 56.674 58.100 -0.155 0.000 1.042 467 Y CB 1.740 40.127 38.460 -0.122 0.000 1.289 467 Y HN -0.034 nan 8.280 nan 0.000 0.471 468 Y N -1.027 119.230 120.300 -0.071 0.000 2.513 468 Y HA 0.532 5.083 4.550 0.001 0.000 0.340 468 Y C -1.231 174.665 175.900 -0.006 0.000 1.055 468 Y CA -1.487 56.408 58.100 -0.342 0.000 1.020 468 Y CB 1.470 39.153 38.460 -1.294 0.000 1.301 468 Y HN 0.596 nan 8.280 nan 0.000 0.453 469 Q N 3.773 123.686 119.800 0.188 0.000 2.290 469 Q HA 0.563 4.904 4.340 0.001 0.000 0.259 469 Q C -1.751 174.328 176.000 0.132 0.000 0.941 469 Q CA -0.698 55.189 55.803 0.139 0.000 0.912 469 Q CB 1.317 30.117 28.738 0.102 0.000 1.244 469 Q HN 0.968 nan 8.270 nan 0.000 0.441 470 L N 4.178 125.493 121.223 0.153 0.000 2.295 470 L HA 0.542 4.882 4.340 0.001 0.000 0.285 470 L C -0.124 176.808 176.870 0.105 0.000 1.035 470 L CA -0.530 54.396 54.840 0.142 0.000 0.806 470 L CB 1.518 43.650 42.059 0.120 0.000 1.214 470 L HN 0.591 nan 8.230 nan 0.000 0.426 471 R N 3.397 123.934 120.500 0.060 0.000 2.371 471 R HA 0.344 4.685 4.340 0.001 0.000 0.312 471 R C -1.013 175.146 176.300 -0.236 0.000 0.980 471 R CA -0.488 55.474 56.100 -0.229 0.000 0.867 471 R CB 1.287 31.505 30.300 -0.137 0.000 1.163 471 R HN 0.740 nan 8.270 nan 0.000 0.492 472 c N 3.958 122.298 118.600 -0.433 0.000 2.369 472 c HA 0.479 5.050 4.570 0.001 0.000 0.358 472 c C 1.154 175.006 174.090 -0.396 0.000 1.274 472 c CA -0.216 55.745 56.329 -0.613 0.000 1.935 472 c CB 0.615 42.697 42.510 -0.713 0.000 2.431 472 c HN 0.940 nan 8.230 nan 0.000 0.545 473 S N 3.572 119.128 115.700 -0.240 0.000 2.749 473 S HA 0.626 5.097 4.470 0.001 0.000 0.246 473 S C 0.323 174.869 174.600 -0.089 0.000 1.023 473 S CA 0.196 58.316 58.200 -0.134 0.000 1.012 473 S CB 0.015 63.172 63.200 -0.071 0.000 0.942 473 S HN 1.959 nan 8.310 nan 0.000 0.531 474 G N 1.900 110.630 108.800 -0.116 0.000 2.328 474 G HA2 0.377 4.338 3.960 0.001 0.000 0.299 474 G HA3 0.377 4.338 3.960 0.001 0.000 0.299 474 G C -3.007 171.861 174.900 -0.054 0.000 1.435 474 G CA -0.534 44.538 45.100 -0.046 0.000 0.865 474 G HN -0.129 nan 8.290 nan 0.000 0.601 475 P HA 0.108 nan 4.420 nan 0.000 0.229 475 P C 1.295 178.613 177.300 0.031 0.000 1.160 475 P CA 1.406 64.525 63.100 0.032 0.000 0.777 475 P CB 0.347 32.065 31.700 0.030 0.000 0.814 476 G N 0.368 109.122 108.800 -0.077 0.000 2.535 476 G HA2 0.409 4.369 3.960 0.001 0.000 0.282 476 G HA3 0.409 4.369 3.960 0.001 0.000 0.282 476 G C -0.265 174.405 174.900 -0.382 0.000 1.350 476 G CA -0.748 44.234 45.100 -0.197 0.000 1.039 476 G HN 0.043 nan 8.290 nan 0.000 0.509 477 L N 1.071 121.989 121.223 -0.510 0.000 2.456 477 L HA 0.164 4.505 4.340 0.001 0.000 0.272 477 L C -1.869 174.836 176.870 -0.275 0.000 1.189 477 L CA -1.288 53.219 54.840 -0.556 0.000 0.846 477 L CB 0.621 42.419 42.059 -0.434 0.000 1.111 477 L HN 0.235 nan 8.230 nan 0.000 0.475 478 P HA -0.027 nan 4.420 nan 0.000 0.263 478 P C -0.934 176.286 177.300 -0.134 0.000 1.175 478 P CA 0.137 63.148 63.100 -0.148 0.000 0.761 478 P CB 0.462 32.165 31.700 0.005 0.000 0.794 479 L N 5.627 126.686 121.223 -0.273 0.000 2.406 479 L HA 0.476 4.817 4.340 0.001 0.000 0.272 479 L C -1.711 174.992 176.870 -0.278 0.000 0.980 479 L CA -0.719 54.024 54.840 -0.160 0.000 0.831 479 L CB 0.876 42.859 42.059 -0.125 0.000 1.253 479 L HN 0.217 nan 8.230 nan 0.000 0.406 480 Y N 2.774 123.029 120.300 -0.075 0.000 2.335 480 Y HA 0.745 5.296 4.550 0.001 0.000 0.338 480 Y C 0.522 176.317 175.900 -0.175 0.000 0.977 480 Y CA -0.512 57.526 58.100 -0.105 0.000 1.114 480 Y CB 2.041 40.410 38.460 -0.151 0.000 1.182 480 Y HN 0.677 nan 8.280 nan 0.000 0.463 481 T N 0.823 115.379 114.554 0.003 0.000 2.906 481 T HA 0.696 5.047 4.350 0.001 0.000 0.295 481 T C -1.532 173.080 174.700 -0.147 0.000 1.075 481 T CA -0.886 61.151 62.100 -0.105 0.000 1.005 481 T CB 1.936 70.793 68.868 -0.019 0.000 1.136 481 T HN 0.377 nan 8.240 nan 0.000 0.498 482 L N 2.009 123.022 121.223 -0.351 0.000 2.329 482 L HA 0.617 4.958 4.340 0.001 0.000 0.279 482 L C -0.697 175.819 176.870 -0.589 0.000 1.014 482 L CA -0.296 54.369 54.840 -0.291 0.000 0.814 482 L CB 1.043 42.977 42.059 -0.208 0.000 1.257 482 L HN 0.829 nan 8.230 nan 0.000 0.424 483 H N 1.431 120.262 119.070 -0.399 0.000 2.928 483 H HA 0.589 5.146 4.556 0.001 0.000 0.371 483 H C -0.954 174.134 175.328 -0.401 0.000 1.186 483 H CA -0.841 54.871 56.048 -0.561 0.000 1.134 483 H CB 2.122 31.179 29.762 -1.176 0.000 1.824 483 H HN 0.571 nan 8.280 nan 0.000 0.554 484 S N 0.234 115.859 115.700 -0.125 0.000 2.454 484 S HA 0.233 4.704 4.470 0.001 0.000 0.306 484 S C 0.612 175.174 174.600 -0.064 0.000 1.100 484 S CA -0.728 57.404 58.200 -0.113 0.000 1.087 484 S CB 1.896 65.060 63.200 -0.061 0.000 1.019 484 S HN 0.563 nan 8.310 nan 0.000 0.480 485 S N 2.133 117.813 115.700 -0.034 0.000 2.383 485 S HA -0.110 4.361 4.470 0.001 0.000 0.227 485 S C 1.935 176.571 174.600 0.061 0.000 1.026 485 S CA 0.973 59.256 58.200 0.139 0.000 0.981 485 S CB -0.488 62.784 63.200 0.120 0.000 0.818 485 S HN 0.684 nan 8.310 nan 0.000 0.472 486 V N 2.738 122.640 119.914 -0.020 0.000 2.278 486 V HA -0.195 3.926 4.120 0.001 0.000 0.251 486 V C 0.901 177.006 176.094 0.017 0.000 1.062 486 V CA 1.888 64.191 62.300 0.004 0.000 1.038 486 V CB -0.296 31.515 31.823 -0.020 0.000 0.646 486 V HN 0.499 nan 8.190 nan 0.000 0.447 487 N N -0.936 117.770 118.700 0.010 0.000 2.241 487 N HA 0.123 4.864 4.740 0.001 0.000 0.238 487 N C -0.402 175.118 175.510 0.016 0.000 1.244 487 N CA 0.397 53.453 53.050 0.010 0.000 0.880 487 N CB 0.515 39.007 38.487 0.008 0.000 1.179 487 N HN 0.465 nan 8.380 nan 0.000 0.513 488 D N 1.310 121.738 120.400 0.047 0.000 2.689 488 D HA -0.167 4.474 4.640 0.001 0.000 0.237 488 D C -0.171 176.164 176.300 0.057 0.000 1.148 488 D CA 1.107 55.160 54.000 0.089 0.000 0.656 488 D CB -0.780 40.059 40.800 0.064 0.000 1.050 488 D HN 0.365 nan 8.370 nan 0.000 0.426 489 K N -0.004 120.410 120.400 0.023 0.000 2.185 489 K HA 0.410 4.731 4.320 0.001 0.000 0.271 489 K C 1.036 177.618 176.600 -0.031 0.000 1.013 489 K CA -0.225 56.062 56.287 -0.000 0.000 0.943 489 K CB 1.150 33.640 32.500 -0.017 0.000 0.998 489 K HN 0.136 nan 8.250 nan 0.000 0.468 490 G N 3.212 111.971 108.800 -0.068 0.000 2.546 490 G HA2 0.203 4.163 3.960 0.001 0.000 0.320 490 G HA3 0.203 4.163 3.960 0.001 0.000 0.320 490 G C 0.885 175.632 174.900 -0.255 0.000 0.984 490 G CA -0.391 44.548 45.100 -0.268 0.000 1.183 490 G HN 0.535 nan 8.290 nan 0.000 0.443 491 L N 1.511 122.557 121.223 -0.297 0.000 1.988 491 L HA 0.153 4.494 4.340 0.001 0.000 0.207 491 L C 1.749 178.516 176.870 -0.173 0.000 1.071 491 L CA 1.175 55.908 54.840 -0.178 0.000 0.744 491 L CB -0.326 41.650 42.059 -0.138 0.000 0.893 491 L HN 0.665 nan 8.230 nan 0.000 0.433 492 R N -1.716 118.644 120.500 -0.235 0.000 2.712 492 R HA 0.495 4.835 4.340 0.001 0.000 0.272 492 R C -1.663 174.501 176.300 -0.227 0.000 1.032 492 R CA -0.885 55.102 56.100 -0.188 0.000 0.874 492 R CB 1.603 31.822 30.300 -0.135 0.000 1.256 492 R HN -0.246 nan 8.270 nan 0.000 0.468 493 V N 3.145 122.953 119.914 -0.177 0.000 2.406 493 V HA 0.183 4.304 4.120 0.001 0.000 0.272 493 V C 1.248 177.199 176.094 -0.238 0.000 1.043 493 V CA -0.411 61.784 62.300 -0.175 0.000 0.915 493 V CB 1.134 32.892 31.823 -0.109 0.000 0.988 493 V HN 0.658 nan 8.190 nan 0.000 0.466 494 L N 2.730 123.735 121.223 -0.364 0.000 2.202 494 L HA 0.289 4.630 4.340 0.001 0.000 0.205 494 L C 0.704 177.286 176.870 -0.480 0.000 1.083 494 L CA 0.685 55.114 54.840 -0.685 0.000 0.790 494 L CB 0.201 41.432 42.059 -1.380 0.000 0.942 494 L HN 0.681 nan 8.230 nan 0.000 0.452 495 E N -0.023 120.044 120.200 -0.221 0.000 2.406 495 E HA 0.086 4.437 4.350 0.001 0.000 0.297 495 E C -1.245 175.399 176.600 0.074 0.000 0.917 495 E CA -0.353 56.029 56.400 -0.030 0.000 0.795 495 E CB 1.012 30.710 29.700 -0.003 0.000 1.285 495 E HN 0.159 nan 8.360 nan 0.000 0.400 496 D N 3.010 123.432 120.400 0.037 0.000 2.469 496 D HA 0.161 4.802 4.640 0.001 0.000 0.215 496 D C -0.278 176.033 176.300 0.018 0.000 1.154 496 D CA -0.256 53.758 54.000 0.023 0.000 0.832 496 D CB -0.024 40.768 40.800 -0.013 0.000 1.008 496 D HN 0.441 nan 8.370 nan 0.000 0.506 497 N N 0.465 119.192 118.700 0.045 0.000 2.735 497 N HA -0.213 4.528 4.740 0.001 0.000 0.248 497 N C 0.894 176.408 175.510 0.006 0.000 1.083 497 N CA 0.938 54.008 53.050 0.034 0.000 0.703 497 N CB -1.320 37.180 38.487 0.021 0.000 1.005 497 N HN 0.497 nan 8.380 nan 0.000 0.550 498 S N -1.285 114.420 115.700 0.008 0.000 2.423 498 S HA 0.005 4.475 4.470 0.001 0.000 0.231 498 S C 2.076 176.686 174.600 0.017 0.000 1.014 498 S CA 0.829 59.030 58.200 0.002 0.000 0.965 498 S CB -0.021 63.180 63.200 0.002 0.000 0.785 498 S HN 0.509 nan 8.310 nan 0.000 0.495 499 A N 2.082 124.922 122.820 0.034 0.000 1.877 499 A HA 0.086 4.407 4.320 0.001 0.000 0.216 499 A C 2.206 179.829 177.584 0.066 0.000 1.186 499 A CA 1.522 53.589 52.037 0.050 0.000 0.620 499 A CB -0.904 18.131 19.000 0.058 0.000 0.822 499 A HN 0.499 nan 8.150 nan 0.000 0.443 500 L N 0.528 121.793 121.223 0.069 0.000 2.046 500 L HA -0.163 4.178 4.340 0.001 0.000 0.208 500 L C 1.944 178.840 176.870 0.044 0.000 1.077 500 L CA 2.836 57.730 54.840 0.091 0.000 0.747 500 L CB -0.851 41.260 42.059 0.087 0.000 0.896 500 L HN 0.525 nan 8.230 nan 0.000 0.432 501 D N -0.563 119.835 120.400 -0.005 0.000 2.116 501 D HA -0.300 4.341 4.640 0.001 0.000 0.193 501 D C 2.268 178.565 176.300 -0.005 0.000 0.998 501 D CA 1.830 55.809 54.000 -0.035 0.000 0.836 501 D CB -0.152 40.619 40.800 -0.048 0.000 0.951 501 D HN 0.389 nan 8.370 nan 0.000 0.449 502 K N -0.511 119.901 120.400 0.019 0.000 2.057 502 K HA -0.169 4.152 4.320 0.001 0.000 0.207 502 K C 2.240 178.872 176.600 0.054 0.000 1.049 502 K CA 1.218 57.524 56.287 0.032 0.000 0.931 502 K CB -0.151 32.373 32.500 0.039 0.000 0.714 502 K HN 0.240 nan 8.250 nan 0.000 0.440 503 M N 0.735 120.388 119.600 0.088 0.000 2.117 503 M HA -0.141 4.339 4.480 0.001 0.000 0.262 503 M C 1.995 178.340 176.300 0.076 0.000 1.065 503 M CA 1.392 56.783 55.300 0.151 0.000 1.114 503 M CB -0.144 32.632 32.600 0.293 0.000 1.361 503 M HN 0.160 nan 8.290 nan 0.000 0.408 504 L N -0.290 120.923 121.223 -0.017 0.000 2.549 504 L HA -0.174 4.167 4.340 0.001 0.000 0.229 504 L C 2.201 179.038 176.870 -0.055 0.000 1.158 504 L CA 0.661 55.430 54.840 -0.119 0.000 0.842 504 L CB -0.607 41.381 42.059 -0.119 0.000 0.952 504 L HN 0.435 nan 8.230 nan 0.000 0.452 505 Q N 0.096 119.890 119.800 -0.010 0.000 2.167 505 Q HA -0.097 4.243 4.340 0.001 0.000 0.202 505 Q C 1.098 177.109 176.000 0.019 0.000 0.970 505 Q CA 0.918 56.722 55.803 0.003 0.000 0.855 505 Q CB 0.082 28.828 28.738 0.014 0.000 0.911 505 Q HN 0.569 nan 8.270 nan 0.000 0.438 506 N N 0.033 118.755 118.700 0.037 0.000 2.313 506 N HA 0.068 4.809 4.740 0.001 0.000 0.207 506 N C -0.745 174.802 175.510 0.062 0.000 1.141 506 N CA 0.243 53.328 53.050 0.059 0.000 0.830 506 N CB 1.068 39.606 38.487 0.085 0.000 1.008 506 N HN -0.048 nan 8.380 nan 0.000 0.481 507 V N 0.861 120.789 119.914 0.023 0.000 2.735 507 V HA 0.200 4.321 4.120 0.001 0.000 0.310 507 V C 0.040 176.140 176.094 0.011 0.000 1.061 507 V CA -0.859 61.454 62.300 0.023 0.000 0.913 507 V CB 2.698 34.483 31.823 -0.063 0.000 1.005 507 V HN 0.005 nan 8.190 nan 0.000 0.428 508 Q N 4.099 123.922 119.800 0.037 0.000 2.534 508 Q HA 0.336 4.676 4.340 0.001 0.000 0.223 508 Q C -0.486 175.494 176.000 -0.033 0.000 1.239 508 Q CA -0.239 55.562 55.803 -0.003 0.000 0.936 508 Q CB 0.440 29.201 28.738 0.039 0.000 1.457 508 Q HN 0.518 nan 8.270 nan 0.000 0.547 509 M N 3.645 123.206 119.600 -0.065 0.000 2.250 509 M HA 0.319 4.800 4.480 0.001 0.000 0.344 509 M C -1.936 174.298 176.300 -0.110 0.000 1.150 509 M CA -2.347 52.904 55.300 -0.081 0.000 1.147 509 M CB 0.032 32.587 32.600 -0.075 0.000 1.498 509 M HN 0.286 nan 8.290 nan 0.000 0.461 510 P HA 0.243 nan 4.420 nan 0.000 0.276 510 P C -0.784 176.435 177.300 -0.134 0.000 1.261 510 P CA -0.336 62.679 63.100 -0.142 0.000 0.800 510 P CB 0.654 32.261 31.700 -0.156 0.000 1.066 511 S N -0.421 115.187 115.700 -0.154 0.000 2.739 511 S HA 0.630 5.101 4.470 0.001 0.000 0.306 511 S C -0.516 173.990 174.600 -0.156 0.000 1.115 511 S CA -0.783 57.337 58.200 -0.133 0.000 0.985 511 S CB 1.720 64.837 63.200 -0.137 0.000 1.133 511 S HN 0.532 nan 8.310 nan 0.000 0.541 512 K N 0.445 120.775 120.400 -0.118 0.000 2.426 512 K HA 0.405 4.726 4.320 0.001 0.000 0.254 512 K C -1.389 175.154 176.600 -0.095 0.000 0.936 512 K CA -0.519 55.703 56.287 -0.109 0.000 0.801 512 K CB 1.425 33.884 32.500 -0.068 0.000 1.139 512 K HN 0.727 nan 8.250 nan 0.000 0.424 513 K N 5.227 125.561 120.400 -0.111 0.000 2.235 513 K HA 0.315 4.636 4.320 0.001 0.000 0.266 513 K C -1.541 175.034 176.600 -0.042 0.000 0.980 513 K CA -0.815 55.419 56.287 -0.088 0.000 0.849 513 K CB 0.992 33.410 32.500 -0.137 0.000 1.098 513 K HN 0.482 nan 8.250 nan 0.000 0.445 514 L N 4.327 125.542 121.223 -0.014 0.000 2.319 514 L HA 0.522 4.863 4.340 0.001 0.000 0.281 514 L C -1.171 175.711 176.870 0.020 0.000 1.005 514 L CA 0.160 55.023 54.840 0.040 0.000 0.828 514 L CB 1.303 43.440 42.059 0.131 0.000 1.227 514 L HN 0.814 nan 8.230 nan 0.000 0.415 515 D N 2.853 123.100 120.400 -0.255 0.000 2.895 515 D HA 0.530 5.171 4.640 0.001 0.000 0.320 515 D C -1.598 174.311 176.300 -0.652 0.000 1.249 515 D CA 0.010 53.744 54.000 -0.443 0.000 0.997 515 D CB 1.972 42.439 40.800 -0.554 0.000 1.430 515 D HN 0.264 nan 8.370 nan 0.000 0.558 516 F N -0.115 119.439 119.950 -0.660 0.000 2.645 516 F HA 0.682 5.210 4.527 0.001 0.000 0.310 516 F C -0.958 174.858 175.800 0.027 0.000 1.102 516 F CA -1.049 56.671 58.000 -0.468 0.000 0.952 516 F CB 0.947 39.245 39.000 -1.169 0.000 1.326 516 F HN 0.254 nan 8.300 nan 0.000 0.456 517 I N 0.219 121.063 120.570 0.458 0.000 2.957 517 I HA 0.709 4.879 4.170 0.001 0.000 0.310 517 I C -1.339 175.037 176.117 0.433 0.000 1.063 517 I CA -1.261 60.256 61.300 0.362 0.000 1.033 517 I CB 2.452 40.633 38.000 0.302 0.000 1.230 517 I HN 0.654 nan 8.210 nan 0.000 0.447 518 I N 3.955 124.707 120.570 0.304 0.000 2.412 518 I HA 0.462 4.633 4.170 0.001 0.000 0.296 518 I C -0.835 175.431 176.117 0.248 0.000 0.987 518 I CA -0.687 60.776 61.300 0.272 0.000 1.180 518 I CB 1.985 40.100 38.000 0.192 0.000 1.340 518 I HN 0.385 nan 8.210 nan 0.000 0.455 519 L N 5.938 127.357 121.223 0.327 0.000 2.446 519 L HA 0.378 4.718 4.340 0.001 0.000 0.268 519 L C -0.458 176.552 176.870 0.234 0.000 0.975 519 L CA -0.635 54.367 54.840 0.269 0.000 0.848 519 L CB 1.412 43.657 42.059 0.310 0.000 1.225 519 L HN 0.628 nan 8.230 nan 0.000 0.410 520 N N 2.931 121.704 118.700 0.123 0.000 2.696 520 N HA -0.214 4.527 4.740 0.001 0.000 0.256 520 N C 0.332 175.885 175.510 0.072 0.000 1.031 520 N CA 1.339 54.438 53.050 0.081 0.000 0.730 520 N CB -0.630 37.898 38.487 0.068 0.000 0.894 520 N HN 0.855 nan 8.380 nan 0.000 0.544 521 E N -3.603 116.633 120.200 0.061 0.000 3.547 521 E HA -0.276 4.074 4.350 0.001 0.000 0.300 521 E C -0.527 176.075 176.600 0.003 0.000 0.857 521 E CA 1.553 57.971 56.400 0.031 0.000 1.039 521 E CB -1.303 28.407 29.700 0.016 0.000 1.524 521 E HN 0.541 nan 8.360 nan 0.000 0.457 522 T N 0.940 115.506 114.554 0.019 0.000 2.807 522 T HA 0.365 4.715 4.350 0.001 0.000 0.279 522 T C -0.196 174.378 174.700 -0.210 0.000 0.993 522 T CA -0.961 61.061 62.100 -0.131 0.000 0.970 522 T CB 1.306 70.066 68.868 -0.181 0.000 0.950 522 T HN 0.164 nan 8.240 nan 0.000 0.441 523 K N 2.429 122.622 120.400 -0.345 0.000 2.172 523 K HA 0.592 4.913 4.320 0.001 0.000 0.276 523 K C -1.358 174.946 176.600 -0.493 0.000 1.013 523 K CA -0.533 55.576 56.287 -0.297 0.000 0.913 523 K CB 0.862 33.026 32.500 -0.560 0.000 1.055 523 K HN 0.376 nan 8.250 nan 0.000 0.461 524 F N 1.463 121.501 119.950 0.147 0.000 2.529 524 F HA 0.345 4.873 4.527 0.001 0.000 0.320 524 F C -0.783 175.170 175.800 0.255 0.000 1.118 524 F CA -0.787 57.333 58.000 0.200 0.000 0.915 524 F CB 1.198 40.349 39.000 0.252 0.000 1.161 524 F HN 0.530 nan 8.300 nan 0.000 0.445 525 W N 3.372 124.854 121.300 0.304 0.000 2.303 525 W HA 0.520 5.181 4.660 0.001 0.000 0.334 525 W C -0.603 176.152 176.519 0.393 0.000 1.197 525 W CA -0.572 56.958 57.345 0.309 0.000 1.262 525 W CB 0.560 30.121 29.460 0.169 0.000 1.153 525 W HN 0.435 nan 8.180 nan 0.000 0.596 526 Y N -0.607 120.059 120.300 0.611 0.000 2.625 526 Y HA 0.672 5.223 4.550 0.001 0.000 0.338 526 Y C -1.031 175.097 175.900 0.380 0.000 1.123 526 Y CA -1.954 56.484 58.100 0.563 0.000 1.046 526 Y CB 1.052 39.990 38.460 0.797 0.000 1.299 526 Y HN 0.577 nan 8.280 nan 0.000 0.464 527 Q N 1.905 122.001 119.800 0.494 0.000 2.456 527 Q HA 0.786 5.127 4.340 0.001 0.000 0.283 527 Q C -1.793 174.355 176.000 0.247 0.000 1.084 527 Q CA -1.217 54.741 55.803 0.257 0.000 0.801 527 Q CB 3.433 32.267 28.738 0.159 0.000 1.434 527 Q HN 0.843 nan 8.270 nan 0.000 0.419 528 M N 2.118 121.770 119.600 0.088 0.000 2.267 528 M HA 0.414 4.894 4.480 0.001 0.000 0.289 528 M C -1.357 174.870 176.300 -0.123 0.000 1.043 528 M CA -0.908 54.365 55.300 -0.045 0.000 0.928 528 M CB 2.219 34.737 32.600 -0.136 0.000 1.613 528 M HN 0.601 nan 8.290 nan 0.000 0.450 529 I N 5.100 125.596 120.570 -0.123 0.000 2.301 529 I HA 0.331 4.502 4.170 0.001 0.000 0.292 529 I C -0.317 175.655 176.117 -0.241 0.000 1.046 529 I CA -0.223 60.981 61.300 -0.159 0.000 1.282 529 I CB 0.104 38.031 38.000 -0.122 0.000 1.409 529 I HN 0.628 nan 8.210 nan 0.000 0.484 530 L N 8.475 129.503 121.223 -0.325 0.000 2.307 530 L HA 0.445 4.785 4.340 0.001 0.000 0.282 530 L C -2.145 174.543 176.870 -0.302 0.000 1.051 530 L CA -1.787 52.774 54.840 -0.466 0.000 0.804 530 L CB 1.088 42.684 42.059 -0.770 0.000 1.197 530 L HN 0.263 nan 8.230 nan 0.000 0.431 531 P HA 0.089 nan 4.420 nan 0.000 0.269 531 P C -2.483 174.768 177.300 -0.082 0.000 1.217 531 P CA -0.850 62.175 63.100 -0.124 0.000 0.783 531 P CB -0.100 31.563 31.700 -0.061 0.000 0.898 532 P HA -0.028 nan 4.420 nan 0.000 0.267 532 P C -0.283 176.936 177.300 -0.135 0.000 1.200 532 P CA 0.711 63.676 63.100 -0.225 0.000 0.772 532 P CB -0.153 31.387 31.700 -0.267 0.000 0.855 533 H N -1.011 118.092 119.070 0.055 0.000 2.741 533 H HA -0.214 4.343 4.556 0.001 0.000 0.305 533 H C 0.174 175.557 175.328 0.092 0.000 1.169 533 H CA -0.036 56.050 56.048 0.062 0.000 1.144 533 H CB -2.260 27.530 29.762 0.048 0.000 1.397 533 H HN 0.389 nan 8.280 nan 0.000 0.409 534 F N 2.393 122.327 119.950 -0.026 0.000 2.604 534 F HA 0.045 4.573 4.527 0.001 0.000 0.390 534 F C 0.643 176.462 175.800 0.032 0.000 1.053 534 F CA 0.314 58.254 58.000 -0.099 0.000 1.256 534 F CB 0.477 39.310 39.000 -0.279 0.000 0.996 534 F HN 0.168 nan 8.300 nan 0.000 0.564 535 D N 6.070 126.133 120.400 -0.561 0.000 2.454 535 D HA 0.139 4.780 4.640 0.001 0.000 0.247 535 D C 0.548 176.504 176.300 -0.572 0.000 1.129 535 D CA -0.533 53.235 54.000 -0.387 0.000 0.877 535 D CB 1.031 41.758 40.800 -0.122 0.000 1.082 535 D HN 0.671 nan 8.370 nan 0.000 0.537 536 K N 0.730 120.814 120.400 -0.527 0.000 2.442 536 K HA -0.138 4.183 4.320 0.001 0.000 0.199 536 K C 1.264 177.864 176.600 0.001 0.000 1.044 536 K CA 1.066 57.237 56.287 -0.193 0.000 0.941 536 K CB -0.149 32.388 32.500 0.062 0.000 0.759 536 K HN 0.217 nan 8.250 nan 0.000 0.472 537 S N 0.100 115.761 115.700 -0.065 0.000 2.558 537 S HA 0.073 4.544 4.470 0.001 0.000 0.217 537 S C 0.280 174.839 174.600 -0.068 0.000 0.975 537 S CA -0.414 57.763 58.200 -0.038 0.000 0.912 537 S CB 0.003 63.176 63.200 -0.046 0.000 0.776 537 S HN 0.212 nan 8.310 nan 0.000 0.526 538 K N 0.959 121.290 120.400 -0.116 0.000 2.185 538 K HA 0.485 4.805 4.320 0.001 0.000 0.240 538 K C -0.737 175.747 176.600 -0.192 0.000 0.983 538 K CA -0.956 55.196 56.287 -0.225 0.000 0.873 538 K CB 0.755 33.002 32.500 -0.422 0.000 1.118 538 K HN -0.095 nan 8.250 nan 0.000 0.441 539 K N 2.246 122.494 120.400 -0.253 0.000 2.263 539 K HA 0.275 4.596 4.320 0.001 0.000 0.272 539 K C -1.007 175.451 176.600 -0.236 0.000 1.033 539 K CA -0.316 55.893 56.287 -0.130 0.000 0.884 539 K CB 0.638 33.074 32.500 -0.106 0.000 1.107 539 K HN 0.479 nan 8.250 nan 0.000 0.460 540 Y N 3.190 123.512 120.300 0.036 0.000 2.420 540 Y HA 0.285 4.836 4.550 0.001 0.000 0.334 540 Y C -1.704 174.138 175.900 -0.098 0.000 1.094 540 Y CA -2.190 55.909 58.100 -0.000 0.000 1.126 540 Y CB 1.143 39.669 38.460 0.111 0.000 1.217 540 Y HN 0.446 nan 8.280 nan 0.000 0.462 541 P HA 0.182 nan 4.420 nan 0.000 0.274 541 P C -1.164 175.994 177.300 -0.237 0.000 1.237 541 P CA -0.238 62.584 63.100 -0.464 0.000 0.793 541 P CB 1.717 32.759 31.700 -1.096 0.000 0.977 542 L N 2.122 123.243 121.223 -0.170 0.000 2.408 542 L HA 0.540 4.881 4.340 0.001 0.000 0.268 542 L C -1.317 175.736 176.870 0.304 0.000 0.986 542 L CA -1.166 53.724 54.840 0.083 0.000 0.820 542 L CB 1.903 44.020 42.059 0.096 0.000 1.303 542 L HN 0.159 nan 8.230 nan 0.000 0.411 543 L N 5.270 126.689 121.223 0.326 0.000 2.298 543 L HA 0.508 4.849 4.340 0.001 0.000 0.284 543 L C -1.291 175.807 176.870 0.380 0.000 1.013 543 L CA -0.331 54.755 54.840 0.411 0.000 0.824 543 L CB 1.562 43.819 42.059 0.329 0.000 1.221 543 L HN 0.627 nan 8.230 nan 0.000 0.418 544 L N 5.132 126.623 121.223 0.447 0.000 2.283 544 L HA 0.383 4.724 4.340 0.001 0.000 0.287 544 L C -0.495 176.608 176.870 0.389 0.000 1.073 544 L CA 0.216 55.306 54.840 0.416 0.000 0.822 544 L CB 0.483 42.824 42.059 0.471 0.000 1.186 544 L HN 0.639 nan 8.230 nan 0.000 0.436 545 D N 4.474 125.081 120.400 0.346 0.000 2.339 545 D HA 0.212 4.852 4.640 0.001 0.000 0.241 545 D C -0.936 175.442 176.300 0.131 0.000 1.183 545 D CA 0.077 54.208 54.000 0.219 0.000 0.859 545 D CB 1.206 42.195 40.800 0.314 0.000 1.067 545 D HN 0.325 nan 8.370 nan 0.000 0.484 546 V N 5.476 125.399 119.914 0.015 0.000 2.715 546 V HA 0.444 4.565 4.120 0.001 0.000 0.310 546 V C -0.902 175.275 176.094 0.138 0.000 1.054 546 V CA -0.409 61.958 62.300 0.112 0.000 0.928 546 V CB 1.780 33.669 31.823 0.110 0.000 1.007 546 V HN 0.680 nan 8.190 nan 0.000 0.437 547 Y N 5.024 125.391 120.300 0.111 0.000 3.183 547 Y HA 0.542 5.093 4.550 0.001 0.000 0.200 547 Y C 1.599 177.644 175.900 0.242 0.000 0.912 547 Y CA 1.002 59.197 58.100 0.158 0.000 1.642 547 Y CB 0.330 38.863 38.460 0.123 0.000 1.447 547 Y HN 0.970 nan 8.280 nan 0.000 0.421 548 A N 0.957 123.895 122.820 0.197 0.000 2.899 548 A HA -0.172 4.148 4.320 0.001 0.000 0.257 548 A C 0.836 178.294 177.584 -0.210 0.000 1.335 548 A CA 0.867 52.959 52.037 0.091 0.000 0.924 548 A CB -2.483 16.623 19.000 0.176 0.000 1.105 548 A HN 0.893 nan 8.150 nan 0.000 0.765 549 G N -0.478 107.961 108.800 -0.603 0.000 2.651 549 G HA2 0.499 4.460 3.960 0.001 0.000 0.260 549 G HA3 0.499 4.460 3.960 0.001 0.000 0.260 549 G C -1.884 172.697 174.900 -0.531 0.000 1.216 549 G CA -0.607 43.715 45.100 -1.296 0.000 0.913 549 G HN 0.418 nan 8.290 nan 0.000 0.535 550 P HA 0.048 nan 4.420 nan 0.000 0.267 550 P C 0.569 177.711 177.300 -0.264 0.000 1.205 550 P CA 0.196 63.023 63.100 -0.454 0.000 0.765 550 P CB 0.854 31.944 31.700 -1.017 0.000 0.828 551 C N 2.144 121.360 119.300 -0.139 0.000 4.465 551 C HA -0.147 4.314 4.460 0.001 0.000 0.274 551 C C 1.102 176.103 174.990 0.017 0.000 1.337 551 C CA 1.190 60.095 59.018 -0.189 0.000 1.822 551 C CB -2.603 24.872 27.740 -0.441 0.000 1.357 551 C HN 0.826 nan 8.230 nan 0.000 0.753 552 S N 0.026 115.805 115.700 0.130 0.000 2.632 552 S HA 0.582 5.053 4.470 0.001 0.000 0.267 552 S C -0.614 174.152 174.600 0.277 0.000 1.276 552 S CA 0.103 58.474 58.200 0.286 0.000 0.998 552 S CB 1.646 65.087 63.200 0.401 0.000 0.953 552 S HN 0.803 nan 8.310 nan 0.000 0.547 553 Q N -0.070 119.914 119.800 0.307 0.000 2.309 553 Q HA 0.355 4.696 4.340 0.001 0.000 0.254 553 Q C -0.819 175.305 176.000 0.207 0.000 0.938 553 Q CA -0.575 55.397 55.803 0.282 0.000 0.789 553 Q CB 1.051 30.009 28.738 0.367 0.000 1.313 553 Q HN 0.700 nan 8.270 nan 0.000 0.438 554 K N 1.080 121.600 120.400 0.199 0.000 2.374 554 K HA 0.350 4.671 4.320 0.001 0.000 0.202 554 K C -0.549 176.157 176.600 0.177 0.000 1.040 554 K CA 0.225 56.620 56.287 0.179 0.000 1.085 554 K CB 1.643 34.273 32.500 0.217 0.000 0.873 554 K HN 0.494 nan 8.250 nan 0.000 0.539 555 A N 2.670 125.604 122.820 0.189 0.000 2.293 555 A HA 0.467 4.788 4.320 0.001 0.000 0.312 555 A C -0.855 176.803 177.584 0.124 0.000 1.309 555 A CA -0.517 51.639 52.037 0.199 0.000 0.839 555 A CB 0.268 19.450 19.000 0.304 0.000 1.155 555 A HN 0.236 nan 8.150 nan 0.000 0.501 556 D N -0.080 120.365 120.400 0.075 0.000 2.759 556 D HA 0.392 5.033 4.640 0.001 0.000 0.321 556 D C 0.326 176.632 176.300 0.010 0.000 1.267 556 D CA 0.278 54.303 54.000 0.041 0.000 0.933 556 D CB 0.281 41.101 40.800 0.032 0.000 1.431 556 D HN 0.185 nan 8.370 nan 0.000 0.504 557 T N -2.144 112.428 114.554 0.029 0.000 3.206 557 T HA 0.340 4.691 4.350 0.001 0.000 0.253 557 T C 0.369 175.023 174.700 -0.076 0.000 1.042 557 T CA -0.387 61.724 62.100 0.018 0.000 0.931 557 T CB -0.774 68.150 68.868 0.094 0.000 1.029 557 T HN 0.278 nan 8.240 nan 0.000 0.564 558 V N 2.436 122.210 119.914 -0.234 0.000 2.583 558 V HA 0.362 4.483 4.120 0.001 0.000 0.287 558 V C 0.071 176.101 176.094 -0.106 0.000 1.051 558 V CA -1.109 61.017 62.300 -0.289 0.000 1.010 558 V CB 0.257 31.785 31.823 -0.492 0.000 0.988 558 V HN 0.558 nan 8.190 nan 0.000 0.478 559 F N 6.338 126.189 119.950 -0.165 0.000 2.438 559 F HA 0.560 5.088 4.527 0.001 0.000 0.356 559 F C 0.503 176.246 175.800 -0.096 0.000 1.099 559 F CA -0.136 57.794 58.000 -0.117 0.000 1.185 559 F CB 0.235 39.174 39.000 -0.101 0.000 1.115 559 F HN 0.438 nan 8.300 nan 0.000 0.526 560 R N 6.737 126.742 120.500 -0.824 0.000 2.673 560 R HA 0.526 4.866 4.340 0.001 0.000 0.281 560 R C -1.692 174.192 176.300 -0.694 0.000 0.991 560 R CA -1.079 54.687 56.100 -0.556 0.000 0.896 560 R CB 2.150 32.292 30.300 -0.264 0.000 1.201 560 R HN 0.653 nan 8.270 nan 0.000 0.457 561 L N 4.061 125.056 121.223 -0.379 0.000 2.324 561 L HA 0.406 4.747 4.340 0.001 0.000 0.274 561 L C -0.658 176.207 176.870 -0.008 0.000 1.012 561 L CA -0.667 54.007 54.840 -0.277 0.000 0.859 561 L CB 0.616 42.645 42.059 -0.051 0.000 1.224 561 L HN 0.765 nan 8.230 nan 0.000 0.429 562 N N 0.312 118.940 118.700 -0.120 0.000 3.387 562 N HA 0.165 4.906 4.740 0.001 0.000 0.322 562 N C 0.218 175.418 175.510 -0.516 0.000 1.588 562 N CA -0.888 51.996 53.050 -0.278 0.000 0.778 562 N CB 0.161 38.593 38.487 -0.093 0.000 1.883 562 N HN 0.292 nan 8.380 nan 0.000 0.628 563 W N 0.772 121.469 121.300 -1.006 0.000 2.318 563 W HA 0.052 4.712 4.660 0.001 0.000 0.313 563 W C 2.111 178.585 176.519 -0.075 0.000 1.221 563 W CA 3.104 60.113 57.345 -0.560 0.000 1.266 563 W CB -1.081 28.202 29.460 -0.294 0.000 1.150 563 W HN 0.707 nan 8.180 nan 0.000 0.496 564 A N -0.585 122.240 122.820 0.009 0.000 1.940 564 A HA -0.237 4.084 4.320 0.001 0.000 0.219 564 A C 1.942 179.442 177.584 -0.141 0.000 1.176 564 A CA 2.615 54.590 52.037 -0.104 0.000 0.631 564 A CB -1.316 17.697 19.000 0.021 0.000 0.814 564 A HN 0.321 nan 8.150 nan 0.000 0.446 565 T N -1.323 113.161 114.554 -0.118 0.000 2.746 565 T HA -0.197 4.154 4.350 0.001 0.000 0.267 565 T C 1.800 176.530 174.700 0.050 0.000 1.039 565 T CA 1.728 63.732 62.100 -0.160 0.000 1.142 565 T CB -0.458 68.139 68.868 -0.451 0.000 0.866 565 T HN 0.705 nan 8.240 nan 0.000 0.444 566 Y N 1.996 122.378 120.300 0.137 0.000 2.163 566 Y HA 0.010 4.560 4.550 0.001 0.000 0.288 566 Y C 1.945 177.838 175.900 -0.011 0.000 1.136 566 Y CA 0.858 59.073 58.100 0.192 0.000 1.147 566 Y CB -0.749 37.817 38.460 0.177 0.000 0.987 566 Y HN 0.107 nan 8.280 nan 0.000 0.509 567 L N 0.284 121.108 121.223 -0.665 0.000 2.042 567 L HA -0.239 4.102 4.340 0.001 0.000 0.210 567 L C 2.815 179.437 176.870 -0.413 0.000 1.076 567 L CA 1.442 55.820 54.840 -0.771 0.000 0.749 567 L CB -0.987 40.667 42.059 -0.674 0.000 0.893 567 L HN 0.428 nan 8.230 nan 0.000 0.432 568 A N -1.325 121.338 122.820 -0.262 0.000 1.874 568 A HA -0.166 4.154 4.320 0.001 0.000 0.214 568 A C 2.512 180.027 177.584 -0.115 0.000 1.189 568 A CA 1.662 53.599 52.037 -0.166 0.000 0.615 568 A CB -0.568 18.335 19.000 -0.161 0.000 0.830 568 A HN 0.333 nan 8.150 nan 0.000 0.443 569 S N -1.131 114.519 115.700 -0.084 0.000 2.355 569 S HA -0.112 4.359 4.470 0.001 0.000 0.222 569 S C 1.973 176.584 174.600 0.019 0.000 1.031 569 S CA 2.267 60.465 58.200 -0.003 0.000 0.993 569 S CB -0.359 62.896 63.200 0.092 0.000 0.859 569 S HN 0.568 nan 8.310 nan 0.000 0.453 570 T N 1.120 115.658 114.554 -0.027 0.000 3.021 570 T HA 0.189 4.540 4.350 0.001 0.000 0.245 570 T C 1.340 175.999 174.700 -0.068 0.000 1.028 570 T CA 0.484 62.585 62.100 0.002 0.000 1.139 570 T CB -0.068 68.878 68.868 0.130 0.000 0.884 570 T HN 0.300 nan 8.240 nan 0.000 0.457 571 E N 1.307 121.371 120.200 -0.226 0.000 2.479 571 E HA 0.171 4.522 4.350 0.001 0.000 0.193 571 E C 0.007 176.585 176.600 -0.035 0.000 1.049 571 E CA -0.078 56.239 56.400 -0.138 0.000 0.870 571 E CB -0.318 29.235 29.700 -0.245 0.000 0.944 571 E HN 0.542 nan 8.360 nan 0.000 0.492 572 N N 0.542 119.232 118.700 -0.016 0.000 2.735 572 N HA -0.195 4.545 4.740 0.001 0.000 0.248 572 N C -0.802 174.785 175.510 0.128 0.000 1.083 572 N CA 0.178 53.285 53.050 0.095 0.000 0.703 572 N CB -1.194 37.398 38.487 0.174 0.000 1.005 572 N HN 0.188 nan 8.380 nan 0.000 0.550 573 I N 0.977 121.555 120.570 0.014 0.000 2.392 573 I HA 0.348 4.519 4.170 0.001 0.000 0.295 573 I C 0.566 176.667 176.117 -0.027 0.000 0.985 573 I CA -0.771 60.547 61.300 0.029 0.000 1.221 573 I CB 1.308 39.336 38.000 0.046 0.000 1.366 573 I HN 0.027 nan 8.210 nan 0.000 0.467 574 I N 6.455 127.022 120.570 -0.005 0.000 2.416 574 I HA 0.171 4.342 4.170 0.001 0.000 0.288 574 I C -0.435 175.674 176.117 -0.012 0.000 1.051 574 I CA -0.431 60.826 61.300 -0.070 0.000 1.375 574 I CB 0.954 38.917 38.000 -0.063 0.000 1.407 574 I HN 0.187 nan 8.210 nan 0.000 0.516 575 V N 6.711 126.604 119.914 -0.035 0.000 2.334 575 V HA 0.603 4.724 4.120 0.001 0.000 0.281 575 V C 0.367 176.490 176.094 0.050 0.000 1.016 575 V CA -0.438 61.890 62.300 0.046 0.000 0.832 575 V CB 1.084 32.929 31.823 0.036 0.000 0.999 575 V HN 0.844 nan 8.190 nan 0.000 0.439 576 A N 4.053 126.930 122.820 0.096 0.000 2.330 576 A HA 0.952 5.272 4.320 0.001 0.000 0.329 576 A C -0.117 177.620 177.584 0.255 0.000 1.135 576 A CA -0.495 51.596 52.037 0.091 0.000 0.817 576 A CB 1.649 20.561 19.000 -0.146 0.000 1.269 576 A HN 0.685 nan 8.150 nan 0.000 0.469 577 S N -0.355 115.542 115.700 0.329 0.000 2.549 577 S HA 0.757 5.227 4.470 0.001 0.000 0.280 577 S C -1.497 173.453 174.600 0.583 0.000 1.109 577 S CA -0.306 58.132 58.200 0.396 0.000 0.905 577 S CB 1.377 64.753 63.200 0.294 0.000 1.081 577 S HN 0.789 nan 8.310 nan 0.000 0.477 578 F N 1.694 121.876 119.950 0.387 0.000 2.569 578 F HA 0.498 5.026 4.527 0.001 0.000 0.312 578 F C -1.589 174.420 175.800 0.348 0.000 1.109 578 F CA -0.823 57.434 58.000 0.428 0.000 0.919 578 F CB 1.560 40.787 39.000 0.378 0.000 1.211 578 F HN 0.394 nan 8.300 nan 0.000 0.446 579 D N 4.449 124.590 120.400 -0.432 0.000 2.473 579 D HA 0.382 5.023 4.640 0.001 0.000 0.226 579 D C 0.334 176.294 176.300 -0.566 0.000 1.089 579 D CA 0.121 53.956 54.000 -0.276 0.000 0.883 579 D CB 1.436 42.266 40.800 0.050 0.000 1.029 579 D HN 0.773 nan 8.370 nan 0.000 0.517 580 G N 1.184 109.716 108.800 -0.447 0.000 2.736 580 G HA2 0.303 4.263 3.960 0.001 0.000 0.229 580 G HA3 0.303 4.263 3.960 0.001 0.000 0.229 580 G C 0.136 175.031 174.900 -0.007 0.000 1.380 580 G CA -0.727 44.179 45.100 -0.323 0.000 1.040 580 G HN 0.280 nan 8.290 nan 0.000 0.568 581 R N -0.697 119.770 120.500 -0.054 0.000 2.585 581 R HA 0.350 4.690 4.340 0.001 0.000 0.275 581 R C 1.285 177.667 176.300 0.138 0.000 1.018 581 R CA 1.519 57.691 56.100 0.120 0.000 1.072 581 R CB 0.381 30.726 30.300 0.075 0.000 0.953 581 R HN 1.079 nan 8.270 nan 0.000 0.419 582 G N 1.134 110.017 108.800 0.138 0.000 2.234 582 G HA2 -0.335 3.626 3.960 0.001 0.000 0.235 582 G HA3 -0.335 3.626 3.960 0.001 0.000 0.235 582 G C 0.172 175.100 174.900 0.047 0.000 0.997 582 G CA 0.208 45.369 45.100 0.103 0.000 0.623 582 G HN 0.740 nan 8.290 nan 0.000 0.514 583 S N 0.351 116.090 115.700 0.065 0.000 2.600 583 S HA 0.665 5.136 4.470 0.001 0.000 0.265 583 S C 0.898 175.485 174.600 -0.022 0.000 1.325 583 S CA 0.558 58.788 58.200 0.050 0.000 1.002 583 S CB 1.743 65.003 63.200 0.100 0.000 0.921 583 S HN 1.673 nan 8.310 nan 0.000 0.554 584 G N -0.829 107.916 108.800 -0.092 0.000 2.613 584 G HA2 0.496 4.457 3.960 0.001 0.000 0.303 584 G HA3 0.496 4.457 3.960 0.001 0.000 0.303 584 G C -0.937 173.790 174.900 -0.287 0.000 1.312 584 G CA -0.992 43.880 45.100 -0.381 0.000 1.036 584 G HN 0.963 nan 8.290 nan 0.000 0.513 585 Y N -2.347 117.954 120.300 0.002 0.000 4.604 585 Y HA -0.219 4.332 4.550 0.001 0.000 0.230 585 Y C 1.442 177.354 175.900 0.019 0.000 1.066 585 Y CA 1.115 59.223 58.100 0.013 0.000 1.990 585 Y CB -2.146 36.338 38.460 0.040 0.000 1.619 585 Y HN 0.530 nan 8.280 nan 0.000 0.649 586 Q N -0.088 119.725 119.800 0.021 0.000 2.118 586 Q HA 0.505 4.846 4.340 0.001 0.000 0.219 586 Q C 0.963 176.855 176.000 -0.180 0.000 0.794 586 Q CA 0.226 56.054 55.803 0.043 0.000 1.035 586 Q CB 1.678 30.439 28.738 0.039 0.000 1.177 586 Q HN 0.578 nan 8.270 nan 0.000 0.478 587 G N 0.783 109.339 108.800 -0.407 0.000 2.663 587 G HA2 -0.174 3.786 3.960 0.001 0.000 0.686 587 G HA3 -0.174 3.786 3.960 0.001 0.000 0.686 587 G C -0.538 173.992 174.900 -0.616 0.000 1.246 587 G CA -0.577 44.004 45.100 -0.865 0.000 0.795 587 G HN 0.096 nan 8.290 nan 0.000 0.627 588 D N 0.075 120.076 120.400 -0.666 0.000 2.264 588 D HA -0.048 4.593 4.640 0.001 0.000 0.208 588 D C 2.248 178.287 176.300 -0.434 0.000 0.966 588 D CA 1.388 54.962 54.000 -0.710 0.000 0.864 588 D CB 0.071 40.401 40.800 -0.783 0.000 0.933 588 D HN 0.526 nan 8.370 nan 0.000 0.499 589 K N 1.087 121.282 120.400 -0.342 0.000 2.063 589 K HA -0.091 4.229 4.320 0.001 0.000 0.208 589 K C 1.857 178.391 176.600 -0.110 0.000 1.048 589 K CA 1.095 57.272 56.287 -0.184 0.000 0.928 589 K CB -0.420 31.979 32.500 -0.169 0.000 0.713 589 K HN 0.147 nan 8.250 nan 0.000 0.442 590 I N -0.253 120.238 120.570 -0.131 0.000 2.296 590 I HA -0.125 4.046 4.170 0.001 0.000 0.242 590 I C 2.596 178.708 176.117 -0.010 0.000 1.087 590 I CA 1.078 62.373 61.300 -0.008 0.000 1.393 590 I CB -0.175 37.831 38.000 0.009 0.000 1.093 590 I HN 0.262 nan 8.210 nan 0.000 0.421 591 M N 0.071 119.590 119.600 -0.135 0.000 2.159 591 M HA -0.240 4.241 4.480 0.001 0.000 0.263 591 M C 1.852 178.183 176.300 0.051 0.000 1.063 591 M CA 1.998 57.239 55.300 -0.097 0.000 1.110 591 M CB -0.295 32.144 32.600 -0.269 0.000 1.374 591 M HN 0.280 nan 8.290 nan 0.000 0.411 592 H N -0.991 117.982 119.070 -0.162 0.000 2.539 592 H HA 0.190 4.747 4.556 0.001 0.000 0.267 592 H C 1.799 177.146 175.328 0.031 0.000 0.982 592 H CA 0.128 56.082 56.048 -0.156 0.000 1.146 592 H CB 0.216 29.788 29.762 -0.316 0.000 1.382 592 H HN 0.507 nan 8.280 nan 0.000 0.577 593 A N 1.461 124.392 122.820 0.185 0.000 2.070 593 A HA -0.116 4.205 4.320 0.001 0.000 0.220 593 A C 1.972 179.770 177.584 0.357 0.000 1.159 593 A CA 0.988 53.160 52.037 0.225 0.000 0.656 593 A CB -0.670 18.425 19.000 0.158 0.000 0.800 593 A HN 0.583 nan 8.150 nan 0.000 0.453 594 I N -3.465 117.279 120.570 0.290 0.000 3.891 594 I HA 0.187 4.357 4.170 0.001 0.000 0.331 594 I C 0.323 176.528 176.117 0.146 0.000 1.406 594 I CA -0.538 60.882 61.300 0.201 0.000 1.139 594 I CB -0.463 37.627 38.000 0.150 0.000 1.056 594 I HN 0.177 nan 8.210 nan 0.000 0.399 595 N N 3.018 121.848 118.700 0.217 0.000 2.411 595 N HA -0.051 4.690 4.740 0.001 0.000 0.261 595 N C 0.208 175.746 175.510 0.046 0.000 1.248 595 N CA 0.283 53.459 53.050 0.211 0.000 0.885 595 N CB 0.349 38.912 38.487 0.127 0.000 1.062 595 N HN 0.409 nan 8.380 nan 0.000 0.471 596 R N 0.534 121.042 120.500 0.013 0.000 4.000 596 R HA -0.184 4.157 4.340 0.001 0.000 0.362 596 R C -0.323 175.857 176.300 -0.201 0.000 1.183 596 R CA 0.783 56.846 56.100 -0.061 0.000 1.011 596 R CB -0.796 29.483 30.300 -0.035 0.000 1.501 596 R HN 0.548 nan 8.270 nan 0.000 0.553 597 R N 0.682 121.046 120.500 -0.227 0.000 2.711 597 R HA 0.346 4.687 4.340 0.001 0.000 0.350 597 R C -0.452 175.779 176.300 -0.115 0.000 1.146 597 R CA -0.234 55.577 56.100 -0.483 0.000 1.190 597 R CB 0.405 30.415 30.300 -0.485 0.000 1.312 597 R HN 0.096 nan 8.270 nan 0.000 0.635 598 L N -0.611 120.646 121.223 0.055 0.000 2.473 598 L HA 0.254 4.594 4.340 0.001 0.000 0.268 598 L C 1.350 178.458 176.870 0.397 0.000 1.215 598 L CA 0.802 55.720 54.840 0.130 0.000 0.823 598 L CB 0.459 42.400 42.059 -0.196 0.000 1.099 598 L HN 0.661 nan 8.230 nan 0.000 0.483 599 G N 0.425 109.490 108.800 0.442 0.000 2.143 599 G HA2 -0.294 3.667 3.960 0.001 0.000 0.248 599 G HA3 -0.294 3.667 3.960 0.001 0.000 0.248 599 G C 0.475 175.458 174.900 0.139 0.000 0.991 599 G CA 0.642 45.940 45.100 0.331 0.000 0.689 599 G HN 0.869 nan 8.290 nan 0.000 0.522 600 T N -3.620 110.976 114.554 0.069 0.000 3.409 600 T HA 0.455 4.806 4.350 0.001 0.000 0.188 600 T C 1.670 176.360 174.700 -0.015 0.000 0.929 600 T CA 0.943 62.991 62.100 -0.086 0.000 1.184 600 T CB -0.053 68.576 68.868 -0.398 0.000 1.570 600 T HN 0.136 nan 8.240 nan 0.000 0.367 601 F N 3.458 123.442 119.950 0.057 0.000 2.171 601 F HA 0.112 4.640 4.527 0.001 0.000 0.300 601 F C 2.783 178.609 175.800 0.044 0.000 1.090 601 F CA 1.071 59.093 58.000 0.037 0.000 1.293 601 F CB -0.659 38.358 39.000 0.029 0.000 1.013 601 F HN 0.501 nan 8.300 nan 0.000 0.486 602 E N 0.720 121.072 120.200 0.253 0.000 2.204 602 E HA -0.110 4.241 4.350 0.001 0.000 0.194 602 E C 2.041 178.741 176.600 0.165 0.000 0.989 602 E CA 1.336 57.856 56.400 0.199 0.000 0.824 602 E CB -0.954 28.868 29.700 0.203 0.000 0.756 602 E HN 0.300 nan 8.360 nan 0.000 0.477 603 V N 1.572 121.559 119.914 0.122 0.000 2.346 603 V HA -0.175 3.946 4.120 0.001 0.000 0.244 603 V C 2.325 178.455 176.094 0.060 0.000 1.037 603 V CA 1.931 64.260 62.300 0.048 0.000 1.029 603 V CB -0.564 31.240 31.823 -0.032 0.000 0.663 603 V HN 0.183 nan 8.190 nan 0.000 0.454 604 E N 0.268 120.522 120.200 0.089 0.000 2.085 604 E HA -0.253 4.097 4.350 0.001 0.000 0.194 604 E C 1.932 178.566 176.600 0.058 0.000 0.994 604 E CA 1.608 58.058 56.400 0.084 0.000 0.801 604 E CB -0.192 29.593 29.700 0.142 0.000 0.743 604 E HN 0.568 nan 8.360 nan 0.000 0.453 605 D N 0.246 120.697 120.400 0.085 0.000 2.144 605 D HA -0.138 4.503 4.640 0.001 0.000 0.199 605 D C 1.992 178.323 176.300 0.052 0.000 0.984 605 D CA 0.783 54.821 54.000 0.062 0.000 0.834 605 D CB -0.109 40.767 40.800 0.126 0.000 0.955 605 D HN 0.103 nan 8.370 nan 0.000 0.465 606 Q N 0.083 119.962 119.800 0.133 0.000 2.119 606 Q HA -0.036 4.305 4.340 0.001 0.000 0.201 606 Q C 2.557 178.603 176.000 0.077 0.000 0.972 606 Q CA 0.556 56.441 55.803 0.136 0.000 0.847 606 Q CB -0.137 28.691 28.738 0.149 0.000 0.903 606 Q HN 0.429 nan 8.270 nan 0.000 0.433 607 I N 0.768 121.392 120.570 0.090 0.000 2.252 607 I HA -0.219 3.951 4.170 0.001 0.000 0.245 607 I C 2.354 178.440 176.117 -0.052 0.000 1.102 607 I CA 0.887 62.276 61.300 0.149 0.000 1.385 607 I CB -0.215 37.860 38.000 0.125 0.000 1.064 607 I HN 0.096 nan 8.210 nan 0.000 0.414 608 E N 1.095 121.215 120.200 -0.135 0.000 2.085 608 E HA -0.218 4.133 4.350 0.001 0.000 0.194 608 E C 2.322 178.642 176.600 -0.467 0.000 0.994 608 E CA 1.582 57.835 56.400 -0.245 0.000 0.801 608 E CB -0.200 29.369 29.700 -0.217 0.000 0.743 608 E HN 0.489 nan 8.360 nan 0.000 0.453 609 A N 1.185 123.579 122.820 -0.709 0.000 1.877 609 A HA -0.111 4.210 4.320 0.001 0.000 0.216 609 A C 2.422 179.255 177.584 -1.252 0.000 1.186 609 A CA 2.263 53.549 52.037 -1.251 0.000 0.620 609 A CB -0.671 17.352 19.000 -1.628 0.000 0.822 609 A HN 0.286 nan 8.150 nan 0.000 0.443 610 A N -0.457 122.018 122.820 -0.574 0.000 1.933 610 A HA -0.170 4.151 4.320 0.001 0.000 0.218 610 A C 2.244 179.627 177.584 -0.336 0.000 1.175 610 A CA 1.761 53.635 52.037 -0.272 0.000 0.628 610 A CB -0.512 18.474 19.000 -0.023 0.000 0.814 610 A HN 0.565 nan 8.150 nan 0.000 0.444 611 R N -0.476 119.820 120.500 -0.340 0.000 2.083 611 R HA -0.187 4.154 4.340 0.001 0.000 0.237 611 R C 2.371 178.505 176.300 -0.277 0.000 1.137 611 R CA 1.920 57.857 56.100 -0.272 0.000 0.951 611 R CB -0.307 29.862 30.300 -0.218 0.000 0.851 611 R HN 0.687 nan 8.270 nan 0.000 0.434 612 Q N -0.740 118.825 119.800 -0.392 0.000 2.079 612 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 612 Q C 1.974 177.836 176.000 -0.230 0.000 0.974 612 Q CA 1.361 56.962 55.803 -0.337 0.000 0.840 612 Q CB -0.074 28.416 28.738 -0.414 0.000 0.898 612 Q HN 0.320 nan 8.270 nan 0.000 0.430 613 F N 0.862 120.659 119.950 -0.255 0.000 2.171 613 F HA -0.159 4.369 4.527 0.001 0.000 0.300 613 F C 2.707 178.360 175.800 -0.245 0.000 1.090 613 F CA 1.302 59.147 58.000 -0.258 0.000 1.293 613 F CB -1.164 37.713 39.000 -0.205 0.000 1.013 613 F HN 0.076 nan 8.300 nan 0.000 0.486 614 S N -0.464 115.209 115.700 -0.046 0.000 2.507 614 S HA -0.117 4.354 4.470 0.001 0.000 0.235 614 S C 1.676 176.199 174.600 -0.128 0.000 0.988 614 S CA 0.691 58.830 58.200 -0.102 0.000 0.944 614 S CB -0.483 62.631 63.200 -0.143 0.000 0.762 614 S HN 0.417 nan 8.310 nan 0.000 0.526 615 K N -0.078 120.240 120.400 -0.137 0.000 2.379 615 K HA 0.294 4.615 4.320 0.001 0.000 0.194 615 K C 0.321 176.821 176.600 -0.166 0.000 1.031 615 K CA 0.033 56.240 56.287 -0.134 0.000 1.037 615 K CB -0.031 32.399 32.500 -0.118 0.000 0.824 615 K HN 0.449 nan 8.250 nan 0.000 0.516 616 M N -0.084 119.370 119.600 -0.243 0.000 2.243 616 M HA 0.015 4.496 4.480 0.001 0.000 0.341 616 M C 1.542 177.589 176.300 -0.422 0.000 1.130 616 M CA 0.048 55.100 55.300 -0.412 0.000 1.162 616 M CB 0.980 33.113 32.600 -0.779 0.000 1.497 616 M HN 0.158 nan 8.290 nan 0.000 0.456 617 G N 1.898 110.504 108.800 -0.324 0.000 2.448 617 G HA2 -0.186 3.774 3.960 0.001 0.000 0.219 617 G HA3 -0.186 3.774 3.960 0.001 0.000 0.219 617 G C 0.778 175.640 174.900 -0.063 0.000 1.127 617 G CA 0.675 45.691 45.100 -0.140 0.000 0.766 617 G HN 0.799 nan 8.290 nan 0.000 0.552 618 F N -0.155 119.858 119.950 0.105 0.000 2.732 618 F HA 0.592 5.119 4.527 0.001 0.000 0.303 618 F C -0.056 175.867 175.800 0.204 0.000 1.110 618 F CA -1.405 56.698 58.000 0.172 0.000 1.355 618 F CB -0.295 38.902 39.000 0.329 0.000 1.081 618 F HN -0.180 nan 8.300 nan 0.000 0.565 619 V N 1.529 121.453 119.914 0.017 0.000 2.459 619 V HA 0.194 4.314 4.120 0.001 0.000 0.295 619 V C -0.655 175.425 176.094 -0.023 0.000 1.029 619 V CA -0.842 61.484 62.300 0.043 0.000 0.874 619 V CB 1.525 33.313 31.823 -0.058 0.000 0.985 619 V HN 0.044 nan 8.190 nan 0.000 0.438 620 D N 3.935 124.315 120.400 -0.033 0.000 2.374 620 D HA 0.050 4.691 4.640 0.001 0.000 0.240 620 D C 1.223 177.469 176.300 -0.089 0.000 1.229 620 D CA -0.286 53.666 54.000 -0.081 0.000 0.895 620 D CB 0.650 41.377 40.800 -0.121 0.000 1.046 620 D HN 0.645 nan 8.370 nan 0.000 0.498 621 N N 3.435 122.085 118.700 -0.084 0.000 2.585 621 N HA -0.182 4.559 4.740 0.001 0.000 0.188 621 N C 0.725 176.188 175.510 -0.078 0.000 1.102 621 N CA 0.935 53.931 53.050 -0.090 0.000 0.920 621 N CB -0.093 38.337 38.487 -0.095 0.000 0.963 621 N HN 0.367 nan 8.380 nan 0.000 0.447 622 K N -0.466 119.895 120.400 -0.066 0.000 2.400 622 K HA 0.178 4.498 4.320 0.001 0.000 0.194 622 K C 0.159 176.749 176.600 -0.016 0.000 1.033 622 K CA 0.204 56.468 56.287 -0.038 0.000 1.021 622 K CB 0.431 32.910 32.500 -0.034 0.000 0.808 622 K HN 0.145 nan 8.250 nan 0.000 0.505 623 R N 1.312 121.771 120.500 -0.069 0.000 2.651 623 R HA 0.370 4.710 4.340 0.001 0.000 0.282 623 R C -1.009 175.235 176.300 -0.092 0.000 1.565 623 R CA -0.122 55.917 56.100 -0.101 0.000 1.661 623 R CB 0.617 30.676 30.300 -0.403 0.000 1.189 623 R HN -0.007 nan 8.270 nan 0.000 0.621 624 I N 1.184 121.838 120.570 0.140 0.000 2.436 624 I HA 0.562 4.733 4.170 0.001 0.000 0.289 624 I C -0.145 176.255 176.117 0.472 0.000 1.010 624 I CA -0.748 60.681 61.300 0.215 0.000 1.098 624 I CB 2.011 39.994 38.000 -0.029 0.000 1.266 624 I HN 0.365 nan 8.210 nan 0.000 0.434 625 A N 6.878 130.081 122.820 0.639 0.000 2.387 625 A HA 0.934 5.255 4.320 0.001 0.000 0.298 625 A C -1.215 176.728 177.584 0.599 0.000 1.165 625 A CA -0.657 51.735 52.037 0.591 0.000 0.814 625 A CB 2.127 21.348 19.000 0.368 0.000 1.357 625 A HN 0.719 nan 8.150 nan 0.000 0.443 626 I N 0.161 120.989 120.570 0.429 0.000 2.752 626 I HA 0.709 4.880 4.170 0.001 0.000 0.295 626 I C -1.993 174.374 176.117 0.417 0.000 1.219 626 I CA -0.573 60.908 61.300 0.302 0.000 1.030 626 I CB 1.751 39.639 38.000 -0.187 0.000 1.259 626 I HN 0.939 nan 8.210 nan 0.000 0.423 627 W N 6.888 128.313 121.300 0.209 0.000 3.213 627 W HA 0.837 5.497 4.660 0.001 0.000 0.318 627 W C -1.535 175.137 176.519 0.254 0.000 1.248 627 W CA -0.991 56.495 57.345 0.235 0.000 1.187 627 W CB 1.049 30.705 29.460 0.328 0.000 1.403 627 W HN 0.825 nan 8.180 nan 0.000 0.556 628 G N 1.068 109.846 108.800 -0.037 0.000 2.646 628 G HA2 0.526 4.486 3.960 0.001 0.000 0.291 628 G HA3 0.526 4.486 3.960 0.001 0.000 0.291 628 G C -2.817 172.067 174.900 -0.027 0.000 1.445 628 G CA -0.687 44.246 45.100 -0.279 0.000 0.814 628 G HN 0.612 nan 8.290 nan 0.000 0.495 629 W N 0.925 122.120 121.300 -0.175 0.000 2.819 629 W HA 0.611 5.272 4.660 0.001 0.000 0.337 629 W C 0.700 177.266 176.519 0.079 0.000 1.077 629 W CA 0.275 57.600 57.345 -0.033 0.000 1.226 629 W CB 1.876 31.313 29.460 -0.037 0.000 1.419 629 W HN 1.282 nan 8.180 nan 0.000 0.502 630 S N 2.694 118.666 115.700 0.455 0.000 4.118 630 S HA -0.427 4.044 4.470 0.001 0.000 0.624 630 S C 1.078 175.808 174.600 0.216 0.000 1.929 630 S CA 1.734 60.207 58.200 0.454 0.000 4.219 630 S CB -1.854 61.765 63.200 0.700 0.000 0.206 630 S HN 0.775 nan 8.310 nan 0.000 0.525 631 Y N 2.408 122.735 120.300 0.044 0.000 2.207 631 Y HA 0.047 4.598 4.550 0.001 0.000 0.287 631 Y C 2.395 178.202 175.900 -0.155 0.000 1.156 631 Y CA 2.667 60.666 58.100 -0.167 0.000 1.182 631 Y CB -1.072 37.091 38.460 -0.495 0.000 0.979 631 Y HN 0.546 nan 8.280 nan 0.000 0.521 632 G N -0.946 107.855 108.800 0.002 0.000 2.448 632 G HA2 -0.221 3.740 3.960 0.001 0.000 0.219 632 G HA3 -0.221 3.740 3.960 0.001 0.000 0.219 632 G C 1.876 176.810 174.900 0.056 0.000 1.127 632 G CA 0.738 45.878 45.100 0.067 0.000 0.766 632 G HN 0.589 nan 8.290 nan 0.000 0.552 633 G N -0.217 108.627 108.800 0.073 0.000 2.403 633 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 633 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 633 G C 1.567 176.492 174.900 0.042 0.000 1.154 633 G CA 1.007 46.137 45.100 0.050 0.000 0.784 633 G HN 0.404 nan 8.290 nan 0.000 0.538 634 Y N 1.547 121.744 120.300 -0.171 0.000 2.114 634 Y HA -0.145 4.406 4.550 0.001 0.000 0.284 634 Y C 2.766 178.566 175.900 -0.167 0.000 1.143 634 Y CA 1.661 59.607 58.100 -0.257 0.000 1.135 634 Y CB -0.564 37.585 38.460 -0.519 0.000 0.980 634 Y HN 0.024 nan 8.280 nan 0.000 0.499 635 V N -0.206 119.570 119.914 -0.229 0.000 2.343 635 V HA -0.336 3.785 4.120 0.001 0.000 0.247 635 V C 2.323 178.302 176.094 -0.193 0.000 1.051 635 V CA 2.441 64.595 62.300 -0.242 0.000 1.036 635 V CB -1.245 30.580 31.823 0.003 0.000 0.654 635 V HN 0.502 nan 8.190 nan 0.000 0.451 636 T N -0.249 114.249 114.554 -0.094 0.000 2.720 636 T HA -0.190 4.161 4.350 0.001 0.000 0.268 636 T C 2.147 176.796 174.700 -0.085 0.000 1.037 636 T CA 1.953 64.012 62.100 -0.069 0.000 1.144 636 T CB -0.257 68.649 68.868 0.063 0.000 0.864 636 T HN 0.512 nan 8.240 nan 0.000 0.444 637 S N 0.983 116.667 115.700 -0.027 0.000 2.368 637 S HA 0.003 4.474 4.470 0.001 0.000 0.224 637 S C 2.127 176.649 174.600 -0.129 0.000 1.029 637 S CA 0.886 59.100 58.200 0.023 0.000 0.988 637 S CB -0.250 63.015 63.200 0.108 0.000 0.838 637 S HN 0.322 nan 8.310 nan 0.000 0.462 638 M N 0.883 120.317 119.600 -0.278 0.000 2.175 638 M HA -0.015 4.466 4.480 0.001 0.000 0.264 638 M C 2.183 178.322 176.300 -0.267 0.000 1.063 638 M CA 1.003 56.118 55.300 -0.308 0.000 1.119 638 M CB -1.366 30.945 32.600 -0.482 0.000 1.377 638 M HN 0.174 nan 8.290 nan 0.000 0.415 639 V N 0.723 120.471 119.914 -0.276 0.000 2.270 639 V HA -0.247 3.874 4.120 0.001 0.000 0.245 639 V C 2.531 178.432 176.094 -0.323 0.000 1.043 639 V CA 1.444 63.580 62.300 -0.274 0.000 1.014 639 V CB -0.665 30.923 31.823 -0.392 0.000 0.645 639 V HN 0.397 nan 8.190 nan 0.000 0.447 640 L N 0.425 121.391 121.223 -0.429 0.000 2.127 640 L HA -0.103 4.237 4.340 0.001 0.000 0.211 640 L C 2.184 178.492 176.870 -0.935 0.000 1.089 640 L CA 1.597 56.078 54.840 -0.599 0.000 0.757 640 L CB -0.751 40.908 42.059 -0.666 0.000 0.899 640 L HN 0.508 nan 8.230 nan 0.000 0.434 641 G N -1.509 106.745 108.800 -0.910 0.000 3.284 641 G HA2 -0.026 3.935 3.960 0.001 0.000 0.236 641 G HA3 -0.026 3.935 3.960 0.001 0.000 0.236 641 G C 1.454 176.184 174.900 -0.283 0.000 1.158 641 G CA 0.550 45.230 45.100 -0.701 0.000 0.774 641 G HN 0.430 nan 8.290 nan 0.000 0.545 642 S N -0.728 114.831 115.700 -0.236 0.000 2.496 642 S HA 0.294 4.764 4.470 0.001 0.000 0.224 642 S C 1.986 176.539 174.600 -0.079 0.000 0.996 642 S CA 1.062 59.191 58.200 -0.118 0.000 0.927 642 S CB -0.097 63.054 63.200 -0.082 0.000 0.774 642 S HN 1.352 nan 8.310 nan 0.000 0.524 643 G N 1.345 110.087 108.800 -0.096 0.000 2.148 643 G HA2 -0.352 3.609 3.960 0.001 0.000 0.254 643 G HA3 -0.352 3.609 3.960 0.001 0.000 0.254 643 G C 1.022 175.908 174.900 -0.023 0.000 0.981 643 G CA 0.980 46.047 45.100 -0.054 0.000 0.670 643 G HN 1.311 nan 8.290 nan 0.000 0.528 644 S N -0.318 115.380 115.700 -0.004 0.000 2.419 644 S HA 0.263 4.734 4.470 0.001 0.000 0.233 644 S C 2.596 177.196 174.600 -0.001 0.000 1.016 644 S CA 1.736 59.944 58.200 0.013 0.000 0.974 644 S CB -0.399 62.838 63.200 0.062 0.000 0.786 644 S HN 2.435 nan 8.310 nan 0.000 0.492 645 G N -0.088 108.719 108.800 0.012 0.000 2.168 645 G HA2 -0.283 3.677 3.960 0.001 0.000 0.263 645 G HA3 -0.283 3.677 3.960 0.001 0.000 0.263 645 G C 0.719 175.594 174.900 -0.042 0.000 0.977 645 G CA 0.459 45.557 45.100 -0.004 0.000 0.659 645 G HN 0.739 nan 8.290 nan 0.000 0.533 646 V N -0.714 119.147 119.914 -0.088 0.000 2.649 646 V HA 0.284 4.405 4.120 0.001 0.000 0.248 646 V C 1.187 177.001 176.094 -0.467 0.000 1.054 646 V CA 1.303 63.402 62.300 -0.335 0.000 1.073 646 V CB -0.323 31.162 31.823 -0.563 0.000 0.699 646 V HN 0.307 nan 8.190 nan 0.000 0.463 647 F N 0.025 119.991 119.950 0.025 0.000 2.421 647 F HA 0.399 4.927 4.527 0.001 0.000 0.337 647 F C 1.142 176.989 175.800 0.078 0.000 1.105 647 F CA -0.499 57.544 58.000 0.071 0.000 1.049 647 F CB 1.403 40.447 39.000 0.074 0.000 1.139 647 F HN -0.254 nan 8.300 nan 0.000 0.479 648 K N 1.504 122.064 120.400 0.266 0.000 2.137 648 K HA 0.110 4.431 4.320 0.001 0.000 0.202 648 K C -0.122 176.611 176.600 0.221 0.000 1.052 648 K CA 0.849 57.259 56.287 0.204 0.000 0.961 648 K CB 0.258 32.878 32.500 0.199 0.000 0.741 648 K HN 0.808 nan 8.250 nan 0.000 0.452 649 c N -2.926 115.845 118.600 0.284 0.000 3.320 649 c HA 0.901 5.471 4.570 0.001 0.000 0.335 649 c C -0.253 174.071 174.090 0.391 0.000 1.430 649 c CA -0.604 55.918 56.329 0.321 0.000 1.271 649 c CB 1.106 43.724 42.510 0.179 0.000 1.609 649 c HN 0.333 nan 8.230 nan 0.000 0.457 650 G N -0.087 109.016 108.800 0.504 0.000 2.632 650 G HA2 0.705 4.665 3.960 0.001 0.000 0.292 650 G HA3 0.705 4.665 3.960 0.001 0.000 0.292 650 G C -1.992 173.154 174.900 0.411 0.000 1.465 650 G CA -0.677 44.684 45.100 0.436 0.000 0.824 650 G HN 1.020 nan 8.290 nan 0.000 0.509 651 I N 0.656 121.432 120.570 0.343 0.000 2.499 651 I HA 0.617 4.788 4.170 0.001 0.000 0.288 651 I C 0.072 176.314 176.117 0.208 0.000 1.048 651 I CA -1.020 60.370 61.300 0.150 0.000 1.062 651 I CB 2.232 40.317 38.000 0.142 0.000 1.238 651 I HN 0.667 nan 8.210 nan 0.000 0.426 652 A N 6.512 129.344 122.820 0.019 0.000 2.304 652 A HA 0.773 5.093 4.320 0.001 0.000 0.314 652 A C -0.751 176.743 177.584 -0.150 0.000 1.187 652 A CA -0.506 51.546 52.037 0.025 0.000 0.810 652 A CB 1.162 20.234 19.000 0.120 0.000 1.183 652 A HN 0.441 nan 8.150 nan 0.000 0.487 653 V N 2.106 121.882 119.914 -0.229 0.000 2.417 653 V HA 0.572 4.693 4.120 0.001 0.000 0.291 653 V C 0.965 176.669 176.094 -0.650 0.000 1.024 653 V CA 0.252 62.187 62.300 -0.608 0.000 0.861 653 V CB 0.840 31.943 31.823 -1.200 0.000 0.985 653 V HN 2.065 nan 8.190 nan 0.000 0.436 654 A N 5.641 128.056 122.820 -0.675 0.000 2.364 654 A HA -0.109 4.211 4.320 0.001 0.000 0.288 654 A C -1.729 175.699 177.584 -0.260 0.000 1.433 654 A CA 0.474 52.019 52.037 -0.819 0.000 0.757 654 A CB -1.498 17.144 19.000 -0.596 0.000 1.098 654 A HN 0.626 nan 8.150 nan 0.000 0.380 655 P HA 0.440 nan 4.420 nan 0.000 0.281 655 P C 0.125 177.384 177.300 -0.069 0.000 1.249 655 P CA -0.289 62.785 63.100 -0.044 0.000 0.810 655 P CB 1.450 33.148 31.700 -0.003 0.000 1.008 656 V N 2.236 122.009 119.914 -0.235 0.000 2.686 656 V HA 0.100 4.221 4.120 0.001 0.000 0.295 656 V C 1.677 177.543 176.094 -0.379 0.000 1.055 656 V CA 0.969 62.972 62.300 -0.495 0.000 1.050 656 V CB 0.871 32.001 31.823 -1.156 0.000 0.984 656 V HN 0.859 nan 8.190 nan 0.000 0.482 657 S N 3.824 119.334 115.700 -0.317 0.000 2.593 657 S HA 0.301 4.772 4.470 0.001 0.000 0.235 657 S C 0.493 174.915 174.600 -0.297 0.000 1.059 657 S CA -0.380 57.717 58.200 -0.172 0.000 0.953 657 S CB 0.332 63.506 63.200 -0.045 0.000 0.897 657 S HN 0.694 nan 8.310 nan 0.000 0.507 658 R N -0.701 119.498 120.500 -0.501 0.000 2.515 658 R HA 0.347 4.687 4.340 0.001 0.000 0.278 658 R C -1.047 174.912 176.300 -0.569 0.000 1.107 658 R CA -0.654 55.099 56.100 -0.579 0.000 0.945 658 R CB 0.474 30.278 30.300 -0.826 0.000 1.219 658 R HN 0.254 nan 8.270 nan 0.000 0.434 659 W N 2.045 123.246 121.300 -0.165 0.000 2.421 659 W HA -0.049 4.612 4.660 0.001 0.000 0.270 659 W C 1.266 177.907 176.519 0.203 0.000 1.233 659 W CA 0.624 57.963 57.345 -0.010 0.000 1.226 659 W CB 0.346 29.729 29.460 -0.129 0.000 1.121 659 W HN 0.688 nan 8.180 nan 0.000 0.579 660 E N -0.972 119.392 120.200 0.274 0.000 2.409 660 E HA -0.184 4.167 4.350 0.001 0.000 0.198 660 E C 1.192 177.938 176.600 0.243 0.000 1.024 660 E CA 0.718 57.237 56.400 0.199 0.000 0.861 660 E CB -0.166 29.539 29.700 0.009 0.000 0.788 660 E HN 0.372 nan 8.360 nan 0.000 0.521 661 Y N -1.577 118.812 120.300 0.149 0.000 2.510 661 Y HA 0.057 4.608 4.550 0.001 0.000 0.273 661 Y C 0.682 176.684 175.900 0.171 0.000 1.119 661 Y CA -0.260 57.901 58.100 0.101 0.000 1.286 661 Y CB -0.327 38.134 38.460 0.003 0.000 1.061 661 Y HN 0.009 nan 8.280 nan 0.000 0.542 662 Y N 1.974 122.426 120.300 0.254 0.000 2.392 662 Y HA 0.280 4.830 4.550 0.001 0.000 0.323 662 Y C 0.327 176.434 175.900 0.345 0.000 1.291 662 Y CA -2.083 56.174 58.100 0.261 0.000 1.345 662 Y CB 0.343 38.987 38.460 0.307 0.000 1.320 662 Y HN 0.193 nan 8.280 nan 0.000 0.518 663 D N -0.527 119.577 120.400 -0.495 0.000 2.382 663 D HA 0.096 4.737 4.640 0.001 0.000 0.240 663 D C 0.941 177.212 176.300 -0.047 0.000 1.146 663 D CA 0.358 54.149 54.000 -0.349 0.000 0.897 663 D CB 0.926 41.289 40.800 -0.729 0.000 1.197 663 D HN 0.482 nan 8.370 nan 0.000 0.432 664 S N 1.332 117.020 115.700 -0.020 0.000 2.353 664 S HA -0.235 4.235 4.470 0.001 0.000 0.222 664 S C 1.947 176.575 174.600 0.046 0.000 1.035 664 S CA 1.233 59.474 58.200 0.069 0.000 1.025 664 S CB -1.063 62.184 63.200 0.079 0.000 0.902 664 S HN 0.436 nan 8.310 nan 0.000 0.440 665 V N 0.932 120.814 119.914 -0.053 0.000 2.282 665 V HA -0.196 3.925 4.120 0.001 0.000 0.249 665 V C 2.334 178.344 176.094 -0.140 0.000 1.057 665 V CA 2.340 64.517 62.300 -0.205 0.000 1.032 665 V CB -1.110 30.434 31.823 -0.465 0.000 0.645 665 V HN 0.621 nan 8.190 nan 0.000 0.447 666 Y N 1.239 121.474 120.300 -0.109 0.000 2.153 666 Y HA -0.196 4.355 4.550 0.001 0.000 0.289 666 Y C 2.704 178.611 175.900 0.011 0.000 1.127 666 Y CA 2.216 60.325 58.100 0.015 0.000 1.131 666 Y CB -0.595 38.065 38.460 0.333 0.000 0.995 666 Y HN 0.225 nan 8.280 nan 0.000 0.505 667 T N 0.432 115.232 114.554 0.411 0.000 2.674 667 T HA -0.201 4.150 4.350 0.001 0.000 0.265 667 T C 1.570 176.267 174.700 -0.006 0.000 1.039 667 T CA 1.955 64.226 62.100 0.285 0.000 1.150 667 T CB -0.332 68.841 68.868 0.508 0.000 0.864 667 T HN 0.435 nan 8.240 nan 0.000 0.427 668 E N 0.594 120.815 120.200 0.035 0.000 2.204 668 E HA -0.112 4.239 4.350 0.001 0.000 0.195 668 E C 2.353 178.849 176.600 -0.174 0.000 0.990 668 E CA 0.458 56.867 56.400 0.015 0.000 0.821 668 E CB -0.131 29.618 29.700 0.082 0.000 0.750 668 E HN 0.345 nan 8.360 nan 0.000 0.477 669 R N 0.215 120.456 120.500 -0.431 0.000 2.105 669 R HA -0.192 4.148 4.340 0.001 0.000 0.239 669 R C 1.265 177.074 176.300 -0.818 0.000 1.135 669 R CA 1.570 57.239 56.100 -0.719 0.000 0.967 669 R CB -0.005 29.545 30.300 -1.250 0.000 0.861 669 R HN 0.244 nan 8.270 nan 0.000 0.442 670 Y N -1.755 118.240 120.300 -0.507 0.000 2.524 670 Y HA 0.205 4.756 4.550 0.001 0.000 0.270 670 Y C 1.798 177.515 175.900 -0.305 0.000 1.094 670 Y CA 0.163 57.952 58.100 -0.518 0.000 1.276 670 Y CB 0.368 38.383 38.460 -0.742 0.000 1.130 670 Y HN -0.053 nan 8.280 nan 0.000 0.536 671 M N -0.358 119.140 119.600 -0.171 0.000 2.333 671 M HA 0.356 4.837 4.480 0.001 0.000 0.257 671 M C 1.022 177.347 176.300 0.041 0.000 1.078 671 M CA 0.713 55.912 55.300 -0.169 0.000 1.005 671 M CB -0.323 31.966 32.600 -0.519 0.000 1.444 671 M HN 0.340 nan 8.290 nan 0.000 0.496 672 G N 2.014 110.851 108.800 0.062 0.000 2.645 672 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 672 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 672 G C -0.476 174.568 174.900 0.240 0.000 1.322 672 G CA -0.708 44.466 45.100 0.123 0.000 0.898 672 G HN 0.365 nan 8.290 nan 0.000 0.573 673 L N 1.923 123.253 121.223 0.178 0.000 2.357 673 L HA 0.450 4.790 4.340 0.001 0.000 0.273 673 L C -1.461 175.419 176.870 0.017 0.000 1.080 673 L CA -1.764 53.138 54.840 0.102 0.000 0.803 673 L CB 1.935 44.015 42.059 0.035 0.000 1.174 673 L HN 0.456 nan 8.230 nan 0.000 0.443 674 P HA 0.093 nan 4.420 nan 0.000 0.214 674 P C -0.644 176.507 177.300 -0.248 0.000 1.826 674 P CA -0.140 62.568 63.100 -0.652 0.000 0.977 674 P CB -0.227 30.703 31.700 -1.282 0.000 1.930 675 T N -2.594 111.902 114.554 -0.096 0.000 2.916 675 T HA 0.468 4.819 4.350 0.001 0.000 0.292 675 T C -2.031 172.665 174.700 -0.005 0.000 1.055 675 T CA -2.410 59.662 62.100 -0.046 0.000 1.009 675 T CB 1.986 70.838 68.868 -0.027 0.000 1.118 675 T HN -0.202 nan 8.240 nan 0.000 0.497 676 P HA -0.062 nan 4.420 nan 0.000 0.220 676 P C 0.708 178.022 177.300 0.023 0.000 1.148 676 P CA 1.111 64.221 63.100 0.017 0.000 0.803 676 P CB 0.168 31.874 31.700 0.011 0.000 0.782 677 E N -0.732 119.478 120.200 0.017 0.000 2.285 677 E HA -0.082 4.269 4.350 0.001 0.000 0.194 677 E C 1.569 178.186 176.600 0.028 0.000 0.997 677 E CA 0.793 57.204 56.400 0.018 0.000 0.845 677 E CB -0.375 29.331 29.700 0.010 0.000 0.782 677 E HN 0.317 nan 8.360 nan 0.000 0.491 678 D N -0.652 119.771 120.400 0.038 0.000 2.931 678 D HA 0.059 4.699 4.640 0.001 0.000 0.241 678 D C 0.341 176.697 176.300 0.093 0.000 1.494 678 D CA 0.287 54.322 54.000 0.058 0.000 1.260 678 D CB 0.043 40.880 40.800 0.062 0.000 0.953 678 D HN -0.023 nan 8.370 nan 0.000 0.240 679 N N -0.146 118.642 118.700 0.146 0.000 2.305 679 N HA 0.085 4.826 4.740 0.001 0.000 0.248 679 N C 0.969 176.672 175.510 0.322 0.000 1.290 679 N CA -0.088 53.097 53.050 0.226 0.000 0.873 679 N CB 0.202 38.847 38.487 0.263 0.000 1.261 679 N HN 0.073 nan 8.380 nan 0.000 0.504 680 L N 0.554 121.885 121.223 0.180 0.000 2.043 680 L HA -0.135 4.206 4.340 0.001 0.000 0.212 680 L C 1.136 178.112 176.870 0.177 0.000 1.075 680 L CA 2.028 56.946 54.840 0.131 0.000 0.752 680 L CB -0.481 41.590 42.059 0.021 0.000 0.891 680 L HN 0.148 nan 8.230 nan 0.000 0.432 681 D N -1.460 119.026 120.400 0.144 0.000 2.104 681 D HA -0.257 4.383 4.640 0.001 0.000 0.194 681 D C 2.115 178.507 176.300 0.154 0.000 0.994 681 D CA 1.792 55.867 54.000 0.125 0.000 0.830 681 D CB -0.280 40.582 40.800 0.104 0.000 0.959 681 D HN 0.585 nan 8.370 nan 0.000 0.452 682 H N -0.926 118.212 119.070 0.113 0.000 2.457 682 H HA -0.072 4.485 4.556 0.001 0.000 0.294 682 H C 1.685 177.084 175.328 0.117 0.000 1.064 682 H CA 1.211 57.305 56.048 0.077 0.000 1.330 682 H CB -0.305 29.466 29.762 0.015 0.000 1.395 682 H HN 0.180 nan 8.280 nan 0.000 0.541 683 Y N 0.136 120.415 120.300 -0.035 0.000 2.181 683 Y HA -0.158 4.393 4.550 0.001 0.000 0.288 683 Y C 2.364 178.223 175.900 -0.067 0.000 1.146 683 Y CA 1.326 59.413 58.100 -0.022 0.000 1.164 683 Y CB 0.161 38.644 38.460 0.038 0.000 0.982 683 Y HN 0.119 nan 8.280 nan 0.000 0.515 684 R N 0.305 120.875 120.500 0.116 0.000 2.153 684 R HA -0.056 4.285 4.340 0.001 0.000 0.218 684 R C 0.828 177.122 176.300 -0.010 0.000 1.072 684 R CA 1.328 57.451 56.100 0.038 0.000 0.990 684 R CB -0.910 29.414 30.300 0.039 0.000 0.889 684 R HN 0.584 nan 8.270 nan 0.000 0.452 685 N N -0.642 118.034 118.700 -0.040 0.000 2.238 685 N HA -0.041 4.699 4.740 0.001 0.000 0.222 685 N C 0.142 175.604 175.510 -0.080 0.000 1.133 685 N CA 0.022 53.049 53.050 -0.038 0.000 0.854 685 N CB 0.518 39.009 38.487 0.007 0.000 1.041 685 N HN -0.076 nan 8.380 nan 0.000 0.510 686 S N -1.644 113.968 115.700 -0.146 0.000 2.561 686 S HA 0.126 4.597 4.470 0.001 0.000 0.245 686 S C 0.431 175.077 174.600 0.077 0.000 1.001 686 S CA -0.515 57.645 58.200 -0.068 0.000 1.002 686 S CB -0.953 62.113 63.200 -0.224 0.000 0.805 686 S HN 0.338 nan 8.310 nan 0.000 0.458 687 T N -1.698 112.858 114.554 0.003 0.000 2.918 687 T HA 0.550 4.901 4.350 0.001 0.000 0.283 687 T C 1.278 175.979 174.700 0.001 0.000 1.001 687 T CA -0.615 61.476 62.100 -0.015 0.000 1.041 687 T CB 1.337 70.157 68.868 -0.079 0.000 1.028 687 T HN -0.051 nan 8.240 nan 0.000 0.511 688 V N 1.594 121.506 119.914 -0.003 0.000 2.379 688 V HA -0.100 4.020 4.120 0.001 0.000 0.245 688 V C 2.680 178.755 176.094 -0.032 0.000 1.044 688 V CA 1.554 63.846 62.300 -0.013 0.000 1.036 688 V CB -0.964 30.845 31.823 -0.022 0.000 0.664 688 V HN 0.820 nan 8.190 nan 0.000 0.453 689 M N 1.393 120.955 119.600 -0.063 0.000 2.108 689 M HA -0.212 4.269 4.480 0.001 0.000 0.257 689 M C 2.388 178.663 176.300 -0.042 0.000 1.071 689 M CA 2.383 57.638 55.300 -0.075 0.000 1.093 689 M CB -1.084 31.481 32.600 -0.058 0.000 1.345 689 M HN 0.546 nan 8.290 nan 0.000 0.403 690 S N -0.266 115.420 115.700 -0.023 0.000 2.469 690 S HA -0.121 4.350 4.470 0.001 0.000 0.238 690 S C 1.752 176.359 174.600 0.012 0.000 0.998 690 S CA 0.891 59.086 58.200 -0.007 0.000 0.957 690 S CB -0.518 62.678 63.200 -0.008 0.000 0.764 690 S HN 0.567 nan 8.310 nan 0.000 0.514 691 R N 0.453 120.973 120.500 0.034 0.000 2.393 691 R HA 0.455 4.795 4.340 0.001 0.000 0.244 691 R C 2.221 178.628 176.300 0.178 0.000 0.920 691 R CA 0.409 56.556 56.100 0.079 0.000 1.076 691 R CB -0.261 30.082 30.300 0.071 0.000 1.119 691 R HN 0.474 nan 8.270 nan 0.000 0.524 692 A N 1.765 124.637 122.820 0.088 0.000 1.915 692 A HA -0.311 4.010 4.320 0.001 0.000 0.220 692 A C 2.019 179.692 177.584 0.148 0.000 1.198 692 A CA 2.008 54.066 52.037 0.035 0.000 0.647 692 A CB -0.337 18.614 19.000 -0.080 0.000 0.825 692 A HN 0.276 nan 8.150 nan 0.000 0.456 693 E N 0.395 120.652 120.200 0.094 0.000 2.130 693 E HA -0.190 4.161 4.350 0.001 0.000 0.196 693 E C 1.549 178.209 176.600 0.101 0.000 0.998 693 E CA 1.586 58.035 56.400 0.082 0.000 0.806 693 E CB -0.228 29.502 29.700 0.049 0.000 0.738 693 E HN 0.621 nan 8.360 nan 0.000 0.459 694 N N -0.611 118.148 118.700 0.099 0.000 2.550 694 N HA -0.091 4.650 4.740 0.001 0.000 0.186 694 N C 0.651 176.144 175.510 -0.030 0.000 1.110 694 N CA 0.485 53.542 53.050 0.013 0.000 0.912 694 N CB -0.123 38.322 38.487 -0.069 0.000 0.968 694 N HN 0.254 nan 8.380 nan 0.000 0.448 695 F N 1.209 121.118 119.950 -0.068 0.000 2.780 695 F HA 0.107 4.635 4.527 0.001 0.000 0.299 695 F C 1.963 177.768 175.800 0.009 0.000 1.146 695 F CA 0.217 58.174 58.000 -0.072 0.000 1.428 695 F CB 0.310 39.219 39.000 -0.152 0.000 1.115 695 F HN -0.143 nan 8.300 nan 0.000 0.583 696 K N 0.401 120.900 120.400 0.166 0.000 2.113 696 K HA -0.194 4.127 4.320 0.001 0.000 0.208 696 K C 1.175 177.841 176.600 0.109 0.000 1.047 696 K CA 1.279 57.643 56.287 0.130 0.000 0.928 696 K CB -0.378 32.176 32.500 0.089 0.000 0.716 696 K HN 0.424 nan 8.250 nan 0.000 0.446 697 Q N 0.844 120.689 119.800 0.076 0.000 2.212 697 Q HA 0.079 4.420 4.340 0.001 0.000 0.213 697 Q C 0.000 176.048 176.000 0.079 0.000 0.874 697 Q CA -0.178 55.664 55.803 0.066 0.000 0.965 697 Q CB 0.472 29.233 28.738 0.038 0.000 1.074 697 Q HN 0.090 nan 8.270 nan 0.000 0.473 698 V N -3.658 116.325 119.914 0.116 0.000 3.114 698 V HA 0.495 4.616 4.120 0.001 0.000 0.308 698 V C -1.129 175.118 176.094 0.255 0.000 1.168 698 V CA -1.280 61.112 62.300 0.153 0.000 1.015 698 V CB 2.391 34.269 31.823 0.092 0.000 1.050 698 V HN 0.024 nan 8.190 nan 0.000 0.433 699 E N 1.781 122.161 120.200 0.301 0.000 2.146 699 E HA 0.465 4.816 4.350 0.001 0.000 0.282 699 E C -1.857 175.131 176.600 0.648 0.000 0.989 699 E CA -0.382 56.274 56.400 0.427 0.000 0.799 699 E CB 1.801 31.685 29.700 0.307 0.000 1.088 699 E HN 0.699 nan 8.360 nan 0.000 0.397 700 Y N 3.464 124.031 120.300 0.445 0.000 2.376 700 Y HA 0.441 4.992 4.550 0.001 0.000 0.340 700 Y C -1.665 174.299 175.900 0.107 0.000 0.965 700 Y CA -1.437 56.856 58.100 0.321 0.000 1.078 700 Y CB 1.047 39.732 38.460 0.376 0.000 1.193 700 Y HN 0.414 nan 8.280 nan 0.000 0.452 701 L N 7.759 128.682 121.223 -0.500 0.000 2.319 701 L HA 0.600 4.941 4.340 0.001 0.000 0.281 701 L C -2.135 174.282 176.870 -0.754 0.000 1.005 701 L CA -0.782 53.625 54.840 -0.721 0.000 0.828 701 L CB 1.291 42.625 42.059 -1.208 0.000 1.227 701 L HN 0.663 nan 8.230 nan 0.000 0.415 702 L N 6.656 127.529 121.223 -0.584 0.000 2.313 702 L HA 0.706 5.046 4.340 0.001 0.000 0.283 702 L C -1.116 175.631 176.870 -0.205 0.000 1.013 702 L CA -0.016 54.532 54.840 -0.487 0.000 0.816 702 L CB 1.182 42.974 42.059 -0.444 0.000 1.236 702 L HN 0.584 nan 8.230 nan 0.000 0.419 703 I N 4.390 124.850 120.570 -0.183 0.000 2.647 703 I HA 0.492 4.663 4.170 0.001 0.000 0.295 703 I C -1.164 174.942 176.117 -0.018 0.000 1.078 703 I CA -0.749 60.500 61.300 -0.085 0.000 1.048 703 I CB 2.121 40.034 38.000 -0.145 0.000 1.239 703 I HN 0.685 nan 8.210 nan 0.000 0.421 704 H N 1.938 121.059 119.070 0.085 0.000 3.112 704 H HA 0.448 5.005 4.556 0.001 0.000 0.347 704 H C -0.452 175.105 175.328 0.382 0.000 1.188 704 H CA -0.614 55.536 56.048 0.171 0.000 1.240 704 H CB 1.930 31.744 29.762 0.087 0.000 1.920 704 H HN 0.770 nan 8.280 nan 0.000 0.535 705 G N 0.945 110.104 108.800 0.597 0.000 2.390 705 G HA2 0.220 4.181 3.960 0.001 0.000 0.270 705 G HA3 0.220 4.181 3.960 0.001 0.000 0.270 705 G C 1.159 176.335 174.900 0.461 0.000 1.211 705 G CA 0.145 45.542 45.100 0.495 0.000 0.842 705 G HN 0.742 nan 8.290 nan 0.000 0.519 706 T N -0.758 113.925 114.554 0.215 0.000 2.995 706 T HA 0.090 4.441 4.350 0.001 0.000 0.269 706 T C 1.653 176.346 174.700 -0.012 0.000 1.091 706 T CA 1.271 63.326 62.100 -0.074 0.000 1.128 706 T CB 0.156 68.918 68.868 -0.176 0.000 0.891 706 T HN 0.700 nan 8.240 nan 0.000 0.492 707 A N 1.043 123.923 122.820 0.100 0.000 2.708 707 A HA 0.323 4.644 4.320 0.001 0.000 0.293 707 A C 0.317 177.873 177.584 -0.046 0.000 1.303 707 A CA -0.533 51.536 52.037 0.053 0.000 0.949 707 A CB -0.289 18.994 19.000 0.471 0.000 1.121 707 A HN 0.380 nan 8.150 nan 0.000 0.542 708 D N 1.466 121.862 120.400 -0.007 0.000 2.346 708 D HA 0.005 4.646 4.640 0.001 0.000 0.260 708 D C 0.349 176.617 176.300 -0.054 0.000 1.252 708 D CA 0.128 54.222 54.000 0.157 0.000 0.895 708 D CB 0.755 41.810 40.800 0.426 0.000 1.097 708 D HN 0.571 nan 8.370 nan 0.000 0.489 709 D N 2.402 122.828 120.400 0.043 0.000 2.348 709 D HA -0.128 4.513 4.640 0.001 0.000 0.211 709 D C 0.946 177.224 176.300 -0.037 0.000 0.998 709 D CA -0.109 53.864 54.000 -0.044 0.000 0.873 709 D CB 0.443 41.171 40.800 -0.119 0.000 0.925 709 D HN 0.219 nan 8.370 nan 0.000 0.524 710 N N 0.923 119.695 118.700 0.121 0.000 2.335 710 N HA -0.046 4.695 4.740 0.001 0.000 0.197 710 N C 0.006 175.451 175.510 -0.107 0.000 1.045 710 N CA 0.572 53.728 53.050 0.177 0.000 0.928 710 N CB 0.445 39.014 38.487 0.136 0.000 1.118 710 N HN -0.095 nan 8.380 nan 0.000 0.471 711 V N 4.012 123.868 119.914 -0.096 0.000 2.288 711 V HA 0.187 4.308 4.120 0.001 0.000 0.266 711 V C -0.585 175.548 176.094 0.065 0.000 1.048 711 V CA -0.682 61.600 62.300 -0.030 0.000 0.842 711 V CB 0.002 31.866 31.823 0.069 0.000 1.064 711 V HN 0.301 nan 8.190 nan 0.000 0.472 712 H N 3.286 122.329 119.070 -0.045 0.000 2.948 712 H HA -0.026 4.530 4.556 0.001 0.000 0.351 712 H C 0.898 176.080 175.328 -0.245 0.000 1.079 712 H CA -0.101 55.845 56.048 -0.171 0.000 1.407 712 H CB 0.520 30.102 29.762 -0.299 0.000 1.373 712 H HN 0.615 nan 8.280 nan 0.000 0.605 713 F N 1.895 121.635 119.950 -0.351 0.000 2.192 713 F HA -0.277 4.251 4.527 0.001 0.000 0.301 713 F C 2.572 178.099 175.800 -0.456 0.000 1.079 713 F CA 1.862 59.445 58.000 -0.696 0.000 1.303 713 F CB -0.091 38.684 39.000 -0.375 0.000 1.024 713 F HN 0.670 nan 8.300 nan 0.000 0.494 714 Q N 0.245 119.911 119.800 -0.223 0.000 2.156 714 Q HA -0.330 4.011 4.340 0.001 0.000 0.211 714 Q C 2.066 177.830 176.000 -0.394 0.000 0.995 714 Q CA 2.418 58.038 55.803 -0.305 0.000 0.877 714 Q CB -0.409 28.115 28.738 -0.358 0.000 0.920 714 Q HN 0.604 nan 8.270 nan 0.000 0.416 715 Q N -0.368 119.243 119.800 -0.315 0.000 2.096 715 Q HA -0.124 4.217 4.340 0.001 0.000 0.204 715 Q C 2.245 178.141 176.000 -0.173 0.000 0.982 715 Q CA 1.703 57.438 55.803 -0.115 0.000 0.850 715 Q CB -0.067 28.678 28.738 0.012 0.000 0.901 715 Q HN 0.334 nan 8.270 nan 0.000 0.422 716 S N 0.427 115.907 115.700 -0.367 0.000 2.414 716 S HA 0.023 4.494 4.470 0.001 0.000 0.227 716 S C 1.990 176.323 174.600 -0.444 0.000 1.022 716 S CA 0.641 58.622 58.200 -0.365 0.000 0.958 716 S CB -0.013 62.954 63.200 -0.389 0.000 0.797 716 S HN 0.456 nan 8.310 nan 0.000 0.493 717 A N 1.258 123.722 122.820 -0.594 0.000 1.972 717 A HA -0.110 4.211 4.320 0.001 0.000 0.219 717 A C 2.099 179.580 177.584 -0.172 0.000 1.169 717 A CA 1.075 52.908 52.037 -0.341 0.000 0.635 717 A CB -0.349 18.521 19.000 -0.217 0.000 0.810 717 A HN 0.352 nan 8.150 nan 0.000 0.446 718 Q N -0.501 119.208 119.800 -0.152 0.000 2.187 718 Q HA 0.032 4.372 4.340 0.001 0.000 0.199 718 Q C 2.089 178.036 176.000 -0.088 0.000 0.957 718 Q CA 0.853 56.620 55.803 -0.060 0.000 0.857 718 Q CB -0.243 28.534 28.738 0.064 0.000 0.929 718 Q HN 0.776 nan 8.270 nan 0.000 0.453 719 I N 1.060 121.548 120.570 -0.136 0.000 2.202 719 I HA -0.266 3.905 4.170 0.001 0.000 0.242 719 I C 2.526 178.471 176.117 -0.287 0.000 1.091 719 I CA 1.440 62.616 61.300 -0.207 0.000 1.368 719 I CB -0.444 37.437 38.000 -0.199 0.000 1.058 719 I HN 0.181 nan 8.210 nan 0.000 0.410 720 S N 1.036 116.589 115.700 -0.245 0.000 2.368 720 S HA -0.286 4.185 4.470 0.001 0.000 0.225 720 S C 2.027 176.593 174.600 -0.057 0.000 1.030 720 S CA 1.536 59.621 58.200 -0.192 0.000 0.999 720 S CB -0.487 62.773 63.200 0.100 0.000 0.844 720 S HN 0.378 nan 8.310 nan 0.000 0.459 721 K N 1.811 122.185 120.400 -0.044 0.000 2.057 721 K HA 0.022 4.343 4.320 0.001 0.000 0.207 721 K C 2.251 178.831 176.600 -0.033 0.000 1.049 721 K CA 1.191 57.471 56.287 -0.012 0.000 0.931 721 K CB -0.682 31.809 32.500 -0.015 0.000 0.714 721 K HN 0.447 nan 8.250 nan 0.000 0.440 722 A N 0.961 123.732 122.820 -0.083 0.000 1.930 722 A HA -0.067 4.254 4.320 0.001 0.000 0.217 722 A C 2.075 179.594 177.584 -0.107 0.000 1.175 722 A CA 1.112 53.096 52.037 -0.088 0.000 0.627 722 A CB -0.488 18.443 19.000 -0.114 0.000 0.815 722 A HN 0.320 nan 8.150 nan 0.000 0.443 723 L N -0.755 120.357 121.223 -0.185 0.000 2.056 723 L HA -0.127 4.213 4.340 0.001 0.000 0.207 723 L C 2.515 179.400 176.870 0.026 0.000 1.078 723 L CA 0.902 55.640 54.840 -0.170 0.000 0.749 723 L CB -0.539 41.258 42.059 -0.436 0.000 0.901 723 L HN 0.234 nan 8.230 nan 0.000 0.433 724 V N -0.034 119.932 119.914 0.087 0.000 2.343 724 V HA -0.296 3.825 4.120 0.001 0.000 0.247 724 V C 2.006 178.136 176.094 0.061 0.000 1.051 724 V CA 1.892 64.264 62.300 0.120 0.000 1.036 724 V CB -0.506 31.389 31.823 0.120 0.000 0.654 724 V HN 0.437 nan 8.190 nan 0.000 0.451 725 D N 0.196 120.613 120.400 0.030 0.000 2.218 725 D HA -0.108 4.532 4.640 0.001 0.000 0.204 725 D C 1.731 178.044 176.300 0.022 0.000 0.976 725 D CA 1.651 55.663 54.000 0.020 0.000 0.853 725 D CB -0.100 40.704 40.800 0.006 0.000 0.939 725 D HN 0.567 nan 8.370 nan 0.000 0.481 726 V N -3.874 116.054 119.914 0.024 0.000 3.542 726 V HA 0.513 4.633 4.120 0.001 0.000 0.296 726 V C 1.210 177.333 176.094 0.048 0.000 1.364 726 V CA 0.256 62.574 62.300 0.031 0.000 1.118 726 V CB -0.064 31.774 31.823 0.026 0.000 0.972 726 V HN 0.137 nan 8.190 nan 0.000 0.430 727 G N 0.455 109.291 108.800 0.059 0.000 2.225 727 G HA2 -0.181 3.780 3.960 0.001 0.000 0.264 727 G HA3 -0.181 3.780 3.960 0.001 0.000 0.264 727 G C -0.113 174.845 174.900 0.097 0.000 1.060 727 G CA 0.223 45.366 45.100 0.072 0.000 0.833 727 G HN 0.859 nan 8.290 nan 0.000 0.498 728 V N 0.443 120.433 119.914 0.127 0.000 2.394 728 V HA 0.480 4.601 4.120 0.001 0.000 0.282 728 V C 0.362 176.622 176.094 0.277 0.000 1.031 728 V CA -0.540 61.864 62.300 0.174 0.000 0.881 728 V CB 1.773 33.688 31.823 0.154 0.000 0.982 728 V HN 0.441 nan 8.190 nan 0.000 0.451 729 D N 3.979 124.523 120.400 0.240 0.000 2.304 729 D HA 0.607 5.248 4.640 0.001 0.000 0.247 729 D C -0.573 175.949 176.300 0.370 0.000 1.089 729 D CA 0.164 54.295 54.000 0.218 0.000 0.910 729 D CB 0.834 41.703 40.800 0.115 0.000 1.199 729 D HN 0.376 nan 8.370 nan 0.000 0.426 730 F N -0.340 119.683 119.950 0.121 0.000 2.779 730 F HA 0.478 5.005 4.527 0.001 0.000 0.316 730 F C -1.517 174.333 175.800 0.083 0.000 1.164 730 F CA -1.172 56.920 58.000 0.154 0.000 0.924 730 F CB 0.814 39.939 39.000 0.209 0.000 1.348 730 F HN 0.058 nan 8.300 nan 0.000 0.467 731 Q N 1.507 121.360 119.800 0.088 0.000 2.235 731 Q HA 0.830 5.170 4.340 0.001 0.000 0.256 731 Q C -0.781 175.200 176.000 -0.033 0.000 0.951 731 Q CA -0.773 54.993 55.803 -0.063 0.000 0.890 731 Q CB 1.953 30.683 28.738 -0.013 0.000 1.279 731 Q HN 1.049 nan 8.270 nan 0.000 0.444 732 A N 1.499 124.271 122.820 -0.080 0.000 2.566 732 A HA 0.870 5.191 4.320 0.001 0.000 0.292 732 A C -1.368 176.160 177.584 -0.093 0.000 1.112 732 A CA -0.591 51.442 52.037 -0.008 0.000 0.707 732 A CB 2.011 21.084 19.000 0.120 0.000 1.302 732 A HN 0.623 nan 8.150 nan 0.000 0.409 733 M N 0.964 120.496 119.600 -0.114 0.000 2.294 733 M HA 0.578 5.058 4.480 0.001 0.000 0.280 733 M C -2.120 174.041 176.300 -0.232 0.000 1.085 733 M CA -0.475 54.606 55.300 -0.365 0.000 0.969 733 M CB 1.134 33.428 32.600 -0.510 0.000 1.770 733 M HN 0.996 nan 8.290 nan 0.000 0.485 734 W N 4.065 125.205 121.300 -0.267 0.000 2.578 734 W HA 0.786 5.447 4.660 0.001 0.000 0.346 734 W C -2.017 174.237 176.519 -0.442 0.000 1.075 734 W CA -0.902 56.364 57.345 -0.132 0.000 1.233 734 W CB 0.412 29.836 29.460 -0.060 0.000 1.358 734 W HN 0.622 nan 8.180 nan 0.000 0.574 735 Y N 2.253 122.658 120.300 0.175 0.000 2.388 735 Y HA 0.293 4.844 4.550 0.001 0.000 0.328 735 Y C 0.519 176.513 175.900 0.157 0.000 0.963 735 Y CA -0.999 57.127 58.100 0.043 0.000 1.240 735 Y CB 1.560 40.032 38.460 0.019 0.000 1.118 735 Y HN 0.417 nan 8.280 nan 0.000 0.484 736 T N 4.732 119.430 114.554 0.240 0.000 2.822 736 T HA -0.044 4.307 4.350 0.001 0.000 0.288 736 T C 0.170 174.932 174.700 0.103 0.000 0.991 736 T CA 0.721 62.913 62.100 0.154 0.000 1.176 736 T CB -0.168 68.729 68.868 0.049 0.000 0.951 736 T HN 0.725 nan 8.240 nan 0.000 0.526 737 D N 0.848 121.285 120.400 0.062 0.000 3.046 737 D HA -0.123 4.518 4.640 0.001 0.000 0.210 737 D C 0.277 176.696 176.300 0.197 0.000 1.124 737 D CA 1.129 55.104 54.000 -0.041 0.000 0.986 737 D CB -0.385 40.191 40.800 -0.374 0.000 1.118 737 D HN 0.546 nan 8.370 nan 0.000 0.416 738 E N 0.855 121.197 120.200 0.238 0.000 2.313 738 E HA 0.331 4.682 4.350 0.001 0.000 0.272 738 E C 0.757 177.544 176.600 0.312 0.000 1.038 738 E CA -0.288 56.274 56.400 0.271 0.000 0.863 738 E CB 1.232 31.083 29.700 0.251 0.000 1.060 738 E HN 0.333 nan 8.360 nan 0.000 0.402 739 D N -0.281 120.317 120.400 0.331 0.000 2.481 739 D HA -0.008 4.633 4.640 0.001 0.000 0.283 739 D C 1.087 177.627 176.300 0.400 0.000 1.192 739 D CA -0.112 54.108 54.000 0.366 0.000 1.100 739 D CB -0.219 40.826 40.800 0.408 0.000 1.166 739 D HN 0.408 nan 8.370 nan 0.000 0.584 740 H N -1.643 117.617 119.070 0.317 0.000 2.489 740 H HA 0.118 4.675 4.556 0.001 0.000 0.293 740 H C 1.877 177.460 175.328 0.424 0.000 1.066 740 H CA 2.027 58.282 56.048 0.345 0.000 1.305 740 H CB -0.341 29.610 29.762 0.315 0.000 1.386 740 H HN 0.483 nan 8.280 nan 0.000 0.551 741 G N -0.415 108.580 108.800 0.324 0.000 2.683 741 G HA2 0.012 3.972 3.960 0.001 0.000 0.213 741 G HA3 0.012 3.972 3.960 0.001 0.000 0.213 741 G C 0.674 175.757 174.900 0.305 0.000 1.142 741 G CA 0.264 45.480 45.100 0.194 0.000 0.793 741 G HN 0.499 nan 8.290 nan 0.000 0.534 742 I N 0.198 120.968 120.570 0.333 0.000 5.158 742 I HA -0.336 3.835 4.170 0.001 0.000 0.126 742 I C 1.650 177.901 176.117 0.224 0.000 1.344 742 I CA 0.131 61.580 61.300 0.248 0.000 2.637 742 I CB -1.076 37.056 38.000 0.219 0.000 2.338 742 I HN 0.265 nan 8.210 nan 0.000 0.320 743 A N 1.008 123.930 122.820 0.170 0.000 2.303 743 A HA 0.224 4.545 4.320 0.001 0.000 0.217 743 A C 1.243 178.872 177.584 0.074 0.000 1.205 743 A CA 0.605 52.702 52.037 0.101 0.000 0.875 743 A CB 0.118 19.146 19.000 0.046 0.000 0.910 743 A HN 0.654 nan 8.150 nan 0.000 0.501 744 S N -0.088 115.673 115.700 0.102 0.000 2.563 744 S HA 0.113 4.584 4.470 0.001 0.000 0.284 744 S C 1.205 175.857 174.600 0.087 0.000 1.331 744 S CA 0.368 58.621 58.200 0.089 0.000 1.047 744 S CB 0.971 64.233 63.200 0.103 0.000 0.859 744 S HN 0.532 nan 8.310 nan 0.000 0.514 745 S N 2.575 118.313 115.700 0.063 0.000 2.368 745 S HA -0.222 4.249 4.470 0.001 0.000 0.226 745 S C 2.101 176.763 174.600 0.102 0.000 1.044 745 S CA 2.482 60.723 58.200 0.068 0.000 1.062 745 S CB -1.633 61.590 63.200 0.038 0.000 0.931 745 S HN 1.080 nan 8.310 nan 0.000 0.440 746 T N -0.198 114.406 114.554 0.083 0.000 2.777 746 T HA 0.162 4.513 4.350 0.001 0.000 0.266 746 T C 2.009 176.766 174.700 0.094 0.000 1.040 746 T CA 1.385 63.536 62.100 0.085 0.000 1.141 746 T CB -1.017 67.892 68.868 0.068 0.000 0.868 746 T HN 0.497 nan 8.240 nan 0.000 0.444 747 A N 1.522 124.378 122.820 0.059 0.000 1.933 747 A HA -0.105 4.216 4.320 0.001 0.000 0.218 747 A C 2.202 179.736 177.584 -0.084 0.000 1.175 747 A CA 2.080 54.078 52.037 -0.065 0.000 0.628 747 A CB -1.262 17.664 19.000 -0.123 0.000 0.814 747 A HN 0.779 nan 8.150 nan 0.000 0.444 748 H N -0.141 118.911 119.070 -0.030 0.000 2.319 748 H HA -0.150 4.406 4.556 0.001 0.000 0.299 748 H C 2.114 177.512 175.328 0.117 0.000 1.092 748 H CA 2.370 58.459 56.048 0.069 0.000 1.302 748 H CB -0.236 29.572 29.762 0.076 0.000 1.373 748 H HN 0.578 nan 8.280 nan 0.000 0.497 749 Q N -0.952 118.854 119.800 0.010 0.000 2.084 749 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 749 Q C 2.247 178.233 176.000 -0.023 0.000 0.978 749 Q CA 1.381 57.149 55.803 -0.058 0.000 0.844 749 Q CB -0.231 28.517 28.738 0.016 0.000 0.898 749 Q HN 0.648 nan 8.270 nan 0.000 0.426 750 H N 0.759 119.802 119.070 -0.044 0.000 2.357 750 H HA -0.078 4.479 4.556 0.001 0.000 0.301 750 H C 2.037 177.365 175.328 0.000 0.000 1.082 750 H CA 1.345 57.401 56.048 0.013 0.000 1.342 750 H CB -0.032 29.791 29.762 0.101 0.000 1.389 750 H HN 0.279 nan 8.280 nan 0.000 0.511 751 I N 0.056 120.603 120.570 -0.038 0.000 2.252 751 I HA -0.317 3.853 4.170 0.001 0.000 0.245 751 I C 1.812 177.710 176.117 -0.365 0.000 1.102 751 I CA 1.221 62.416 61.300 -0.175 0.000 1.385 751 I CB -0.276 37.431 38.000 -0.488 0.000 1.064 751 I HN 0.124 nan 8.210 nan 0.000 0.414 752 Y N 0.957 121.051 120.300 -0.342 0.000 2.293 752 Y HA -0.196 4.355 4.550 0.001 0.000 0.291 752 Y C 2.708 178.405 175.900 -0.338 0.000 1.137 752 Y CA 1.816 59.603 58.100 -0.522 0.000 1.202 752 Y CB -0.817 37.335 38.460 -0.515 0.000 0.990 752 Y HN 0.159 nan 8.280 nan 0.000 0.537 753 T N -1.717 112.759 114.554 -0.130 0.000 2.777 753 T HA -0.224 4.127 4.350 0.001 0.000 0.266 753 T C 1.562 176.136 174.700 -0.210 0.000 1.040 753 T CA 1.853 63.840 62.100 -0.189 0.000 1.141 753 T CB -0.423 68.339 68.868 -0.177 0.000 0.868 753 T HN 0.400 nan 8.240 nan 0.000 0.444 754 H N 0.746 119.687 119.070 -0.216 0.000 2.353 754 H HA 0.138 4.694 4.556 0.001 0.000 0.300 754 H C 2.133 177.445 175.328 -0.027 0.000 1.090 754 H CA 1.446 57.444 56.048 -0.085 0.000 1.327 754 H CB -0.209 29.496 29.762 -0.095 0.000 1.383 754 H HN 0.259 nan 8.280 nan 0.000 0.508 755 M N -0.997 118.542 119.600 -0.102 0.000 2.229 755 M HA -0.130 4.350 4.480 0.001 0.000 0.264 755 M C 2.343 178.766 176.300 0.205 0.000 1.063 755 M CA 1.197 56.449 55.300 -0.080 0.000 1.114 755 M CB 0.104 32.406 32.600 -0.498 0.000 1.387 755 M HN 0.185 nan 8.290 nan 0.000 0.420 756 S N -0.567 115.262 115.700 0.215 0.000 2.356 756 S HA -0.142 4.329 4.470 0.001 0.000 0.223 756 S C 1.697 176.380 174.600 0.138 0.000 1.032 756 S CA 0.987 59.388 58.200 0.333 0.000 1.005 756 S CB -0.509 62.858 63.200 0.279 0.000 0.867 756 S HN 0.469 nan 8.310 nan 0.000 0.449 757 H N -0.144 118.983 119.070 0.095 0.000 2.353 757 H HA -0.036 4.521 4.556 0.001 0.000 0.300 757 H C 1.981 177.310 175.328 0.000 0.000 1.090 757 H CA 1.272 57.331 56.048 0.018 0.000 1.327 757 H CB -0.758 28.968 29.762 -0.060 0.000 1.383 757 H HN 0.433 nan 8.280 nan 0.000 0.508 758 F N 1.316 121.253 119.950 -0.021 0.000 2.102 758 F HA -0.187 4.341 4.527 0.001 0.000 0.298 758 F C 2.279 178.033 175.800 -0.077 0.000 1.105 758 F CA 0.877 58.836 58.000 -0.069 0.000 1.239 758 F CB -0.270 38.668 39.000 -0.102 0.000 0.991 758 F HN -0.040 nan 8.300 nan 0.000 0.474 759 I N 0.660 121.222 120.570 -0.012 0.000 2.202 759 I HA -0.265 3.906 4.170 0.001 0.000 0.242 759 I C 2.236 178.138 176.117 -0.359 0.000 1.091 759 I CA 1.466 62.590 61.300 -0.293 0.000 1.368 759 I CB -1.328 36.570 38.000 -0.170 0.000 1.058 759 I HN 0.203 nan 8.210 nan 0.000 0.410 760 K N 0.281 120.622 120.400 -0.098 0.000 2.032 760 K HA -0.237 4.084 4.320 0.001 0.000 0.209 760 K C 2.098 178.684 176.600 -0.024 0.000 1.048 760 K CA 1.273 57.562 56.287 0.003 0.000 0.927 760 K CB -0.340 32.211 32.500 0.086 0.000 0.712 760 K HN 0.314 nan 8.250 nan 0.000 0.441 761 Q N 1.551 121.303 119.800 -0.079 0.000 2.061 761 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 761 Q C 2.286 178.195 176.000 -0.151 0.000 0.984 761 Q CA 2.015 57.756 55.803 -0.102 0.000 0.846 761 Q CB -0.771 27.889 28.738 -0.130 0.000 0.902 761 Q HN 0.438 nan 8.270 nan 0.000 0.421 762 c N 0.220 118.621 118.600 -0.332 0.000 2.413 762 c HA -0.106 4.464 4.570 0.001 0.000 0.277 762 c C 2.220 176.332 174.090 0.038 0.000 1.265 762 c CA 0.584 56.734 56.329 -0.297 0.000 1.752 762 c CB -1.390 40.771 42.510 -0.581 0.000 1.998 762 c HN 0.541 nan 8.230 nan 0.000 0.489 763 F N 1.498 121.406 119.950 -0.070 0.000 2.765 763 F HA 0.253 4.781 4.527 0.001 0.000 0.302 763 F C 1.683 177.467 175.800 -0.027 0.000 1.111 763 F CA 0.425 58.406 58.000 -0.032 0.000 1.359 763 F CB -1.187 37.802 39.000 -0.017 0.000 1.097 763 F HN 0.228 nan 8.300 nan 0.000 0.577 764 S N 0.808 116.591 115.700 0.138 0.000 3.641 764 S HA -0.197 4.274 4.470 0.001 0.000 0.346 764 S C 0.047 174.691 174.600 0.073 0.000 1.074 764 S CA 0.098 58.342 58.200 0.073 0.000 1.026 764 S CB -2.137 61.094 63.200 0.052 0.000 0.908 764 S HN 0.230 nan 8.310 nan 0.000 0.479 765 L N 0.929 122.210 121.223 0.096 0.000 2.289 765 L HA 0.443 4.784 4.340 0.001 0.000 0.285 765 L C -1.271 175.641 176.870 0.070 0.000 1.049 765 L CA -2.167 52.724 54.840 0.085 0.000 0.804 765 L CB 0.207 42.335 42.059 0.115 0.000 1.195 765 L HN 0.012 nan 8.230 nan 0.000 0.428 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726