REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2qt9_1_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 0.000 174.741 174.700 0.068 0.000 1.109 39 T CA 0.000 62.131 62.100 0.052 0.000 1.349 39 T CB 0.000 68.891 68.868 0.038 0.000 0.612 40 R N 2.883 123.431 120.500 0.080 0.000 2.827 40 R HA 0.424 4.765 4.340 0.001 0.000 0.269 40 R C 0.296 176.656 176.300 0.099 0.000 1.048 40 R CA -0.467 55.685 56.100 0.086 0.000 1.173 40 R CB -0.004 30.347 30.300 0.086 0.000 1.070 40 R HN 0.470 nan 8.270 nan 0.000 0.498 41 K N 0.194 120.657 120.400 0.105 0.000 2.230 41 K HA 0.116 4.437 4.320 0.001 0.000 0.253 41 K C -0.117 176.564 176.600 0.136 0.000 1.008 41 K CA -0.391 55.968 56.287 0.120 0.000 0.910 41 K CB 0.440 33.021 32.500 0.134 0.000 0.994 41 K HN 0.787 nan 8.250 nan 0.000 0.495 42 T N -2.172 112.473 114.554 0.151 0.000 2.937 42 T HA 0.171 4.522 4.350 0.001 0.000 0.283 42 T C -0.823 174.023 174.700 0.244 0.000 1.012 42 T CA -0.834 61.370 62.100 0.174 0.000 0.997 42 T CB 0.569 69.532 68.868 0.160 0.000 1.136 42 T HN 0.538 nan 8.240 nan 0.000 0.551 43 Y N 2.440 122.827 120.300 0.145 0.000 2.452 43 Y HA 0.398 4.949 4.550 0.001 0.000 0.348 43 Y C 0.916 176.993 175.900 0.294 0.000 0.985 43 Y CA -0.371 57.858 58.100 0.216 0.000 1.214 43 Y CB -0.038 38.510 38.460 0.147 0.000 1.136 43 Y HN 1.025 nan 8.280 nan 0.000 0.523 44 T N 2.452 117.014 114.554 0.013 0.000 2.862 44 T HA 0.138 4.489 4.350 0.001 0.000 0.276 44 T C 0.926 175.539 174.700 -0.145 0.000 0.974 44 T CA -0.693 61.459 62.100 0.087 0.000 0.966 44 T CB 1.200 70.081 68.868 0.021 0.000 1.072 44 T HN 0.695 nan 8.240 nan 0.000 0.538 45 L N 0.878 121.839 121.223 -0.436 0.000 2.093 45 L HA 0.051 4.392 4.340 0.001 0.000 0.208 45 L C 2.588 179.299 176.870 -0.265 0.000 1.085 45 L CA 2.089 56.516 54.840 -0.688 0.000 0.755 45 L CB -1.435 40.105 42.059 -0.865 0.000 0.904 45 L HN 0.952 nan 8.230 nan 0.000 0.435 46 T N -0.621 113.810 114.554 -0.205 0.000 2.821 46 T HA -0.144 4.207 4.350 0.001 0.000 0.267 46 T C 1.478 176.076 174.700 -0.172 0.000 1.046 46 T CA 1.363 63.373 62.100 -0.151 0.000 1.139 46 T CB -0.370 68.434 68.868 -0.107 0.000 0.871 46 T HN 0.376 nan 8.240 nan 0.000 0.454 47 D N 0.290 120.552 120.400 -0.230 0.000 2.104 47 D HA -0.103 4.537 4.640 0.001 0.000 0.194 47 D C 1.742 177.914 176.300 -0.214 0.000 0.994 47 D CA 1.083 54.903 54.000 -0.301 0.000 0.830 47 D CB -0.418 40.088 40.800 -0.489 0.000 0.959 47 D HN 0.422 nan 8.370 nan 0.000 0.452 48 Y N 1.483 121.589 120.300 -0.323 0.000 2.114 48 Y HA -0.116 4.434 4.550 0.001 0.000 0.284 48 Y C 2.177 178.075 175.900 -0.003 0.000 1.143 48 Y CA 1.273 59.361 58.100 -0.019 0.000 1.135 48 Y CB -0.596 37.915 38.460 0.085 0.000 0.980 48 Y HN -0.090 nan 8.280 nan 0.000 0.499 49 L N -0.046 120.974 121.223 -0.339 0.000 2.141 49 L HA -0.148 4.193 4.340 0.001 0.000 0.209 49 L C 1.838 178.590 176.870 -0.196 0.000 1.094 49 L CA 1.205 55.834 54.840 -0.353 0.000 0.763 49 L CB -0.434 41.494 42.059 -0.217 0.000 0.908 49 L HN 0.056 nan 8.230 nan 0.000 0.437 50 K N -0.254 120.054 120.400 -0.153 0.000 2.374 50 K HA 0.118 4.439 4.320 0.001 0.000 0.196 50 K C 0.090 176.631 176.600 -0.098 0.000 1.023 50 K CA -0.111 56.110 56.287 -0.110 0.000 1.103 50 K CB -0.036 32.402 32.500 -0.104 0.000 0.848 50 K HN 0.191 nan 8.250 nan 0.000 0.528 51 N N 1.318 119.964 118.700 -0.090 0.000 2.725 51 N HA -0.155 4.586 4.740 0.001 0.000 0.251 51 N C 0.355 175.838 175.510 -0.045 0.000 1.031 51 N CA 0.997 54.033 53.050 -0.023 0.000 0.720 51 N CB -1.420 37.055 38.487 -0.021 0.000 0.930 51 N HN 0.175 nan 8.380 nan 0.000 0.543 52 T N -1.254 113.218 114.554 -0.137 0.000 2.788 52 T HA -0.150 4.201 4.350 0.001 0.000 0.268 52 T C 0.494 174.981 174.700 -0.355 0.000 1.044 52 T CA 1.284 63.188 62.100 -0.326 0.000 1.139 52 T CB -0.076 68.434 68.868 -0.596 0.000 0.867 52 T HN 0.332 nan 8.240 nan 0.000 0.454 53 Y N 1.511 121.903 120.300 0.154 0.000 2.417 53 Y HA 0.530 5.081 4.550 0.001 0.000 0.336 53 Y C 0.407 176.419 175.900 0.186 0.000 0.961 53 Y CA -1.317 56.901 58.100 0.195 0.000 1.215 53 Y CB 0.547 39.192 38.460 0.308 0.000 1.120 53 Y HN -0.098 nan 8.280 nan 0.000 0.499 54 R N 3.476 124.128 120.500 0.254 0.000 2.460 54 R HA 0.615 4.956 4.340 0.001 0.000 0.303 54 R C -1.242 175.171 176.300 0.188 0.000 0.968 54 R CA -0.777 55.437 56.100 0.190 0.000 0.889 54 R CB 0.962 31.330 30.300 0.114 0.000 1.123 54 R HN 0.697 nan 8.270 nan 0.000 0.455 55 L N 4.104 125.440 121.223 0.188 0.000 2.349 55 L HA 0.320 4.661 4.340 0.001 0.000 0.275 55 L C 0.308 177.263 176.870 0.142 0.000 1.115 55 L CA -0.076 54.873 54.840 0.182 0.000 0.820 55 L CB 0.983 43.171 42.059 0.216 0.000 1.135 55 L HN 0.450 nan 8.230 nan 0.000 0.445 56 K N 2.910 123.387 120.400 0.129 0.000 2.118 56 K HA 0.591 4.912 4.320 0.001 0.000 0.267 56 K C -0.852 175.792 176.600 0.075 0.000 0.991 56 K CA -0.684 55.656 56.287 0.088 0.000 0.916 56 K CB 1.413 33.958 32.500 0.074 0.000 1.041 56 K HN 0.232 nan 8.250 nan 0.000 0.455 57 L N 1.250 122.453 121.223 -0.033 0.000 2.267 57 L HA 0.450 4.790 4.340 0.001 0.000 0.264 57 L C -1.017 175.599 176.870 -0.423 0.000 1.021 57 L CA -0.637 54.053 54.840 -0.250 0.000 0.861 57 L CB 0.557 42.587 42.059 -0.050 0.000 1.443 57 L HN 0.514 nan 8.230 nan 0.000 0.475 58 Y N -0.105 119.691 120.300 -0.839 0.000 2.489 58 Y HA 0.395 4.945 4.550 0.001 0.000 0.339 58 Y C -0.859 174.891 175.900 -0.250 0.000 1.135 58 Y CA -0.394 57.411 58.100 -0.491 0.000 1.321 58 Y CB 1.079 39.077 38.460 -0.771 0.000 1.098 58 Y HN 0.454 nan 8.280 nan 0.000 0.590 59 S N 5.675 121.324 115.700 -0.084 0.000 2.416 59 S HA 0.526 4.996 4.470 0.001 0.000 0.287 59 S C -0.564 174.010 174.600 -0.043 0.000 1.139 59 S CA -0.530 57.654 58.200 -0.027 0.000 1.058 59 S CB -0.093 63.096 63.200 -0.018 0.000 0.967 59 S HN 0.552 nan 8.310 nan 0.000 0.495 60 L N 1.629 122.786 121.223 -0.109 0.000 2.313 60 L HA 0.796 5.137 4.340 0.001 0.000 0.268 60 L C -0.330 176.452 176.870 -0.147 0.000 1.010 60 L CA -0.944 53.782 54.840 -0.189 0.000 0.814 60 L CB 0.902 42.554 42.059 -0.679 0.000 1.304 60 L HN 0.349 nan 8.230 nan 0.000 0.441 61 R N 0.784 121.243 120.500 -0.069 0.000 2.435 61 R HA 0.366 4.707 4.340 0.001 0.000 0.308 61 R C -1.738 174.607 176.300 0.074 0.000 0.975 61 R CA -0.309 55.807 56.100 0.027 0.000 0.867 61 R CB 0.992 31.345 30.300 0.088 0.000 1.171 61 R HN 0.661 nan 8.270 nan 0.000 0.470 62 W N 4.316 125.722 121.300 0.176 0.000 2.251 62 W HA 0.120 4.780 4.660 0.001 0.000 0.327 62 W C 1.540 178.152 176.519 0.154 0.000 1.361 62 W CA -0.416 57.047 57.345 0.197 0.000 1.234 62 W CB 0.510 30.075 29.460 0.175 0.000 1.212 62 W HN 0.655 nan 8.180 nan 0.000 0.557 63 I N 0.416 121.225 120.570 0.398 0.000 4.139 63 I HA 0.324 4.495 4.170 0.001 0.000 0.335 63 I C 0.593 176.852 176.117 0.235 0.000 1.327 63 I CA -0.114 61.328 61.300 0.236 0.000 1.112 63 I CB -0.125 37.947 38.000 0.119 0.000 1.058 63 I HN 0.272 nan 8.210 nan 0.000 0.396 64 S N -0.494 115.397 115.700 0.318 0.000 2.755 64 S HA 0.259 4.729 4.470 0.001 0.000 0.286 64 S C -0.262 174.476 174.600 0.231 0.000 1.207 64 S CA -0.195 58.160 58.200 0.258 0.000 0.892 64 S CB 1.370 64.738 63.200 0.281 0.000 1.240 64 S HN 0.059 nan 8.310 nan 0.000 0.525 65 D N -0.812 119.668 120.400 0.134 0.000 2.340 65 D HA 0.229 4.870 4.640 0.001 0.000 0.220 65 D C 0.974 177.166 176.300 -0.180 0.000 1.039 65 D CA 0.760 54.694 54.000 -0.110 0.000 0.866 65 D CB 0.007 40.668 40.800 -0.231 0.000 0.913 65 D HN 0.582 nan 8.370 nan 0.000 0.523 66 H N -1.377 117.867 119.070 0.290 0.000 3.457 66 H HA 0.337 4.894 4.556 0.001 0.000 0.255 66 H C 0.009 175.485 175.328 0.248 0.000 1.082 66 H CA 0.025 56.235 56.048 0.270 0.000 1.189 66 H CB 1.243 31.126 29.762 0.202 0.000 1.511 66 H HN 0.141 nan 8.280 nan 0.000 0.527 67 E N 0.906 121.377 120.200 0.452 0.000 2.369 67 E HA 0.387 4.737 4.350 0.001 0.000 0.270 67 E C -1.459 175.368 176.600 0.377 0.000 0.909 67 E CA -1.026 55.551 56.400 0.295 0.000 0.775 67 E CB 3.196 32.992 29.700 0.161 0.000 1.270 67 E HN 0.112 nan 8.360 nan 0.000 0.445 68 Y N -1.090 119.251 120.300 0.067 0.000 2.581 68 Y HA 0.639 5.190 4.550 0.001 0.000 0.345 68 Y C -1.583 174.316 175.900 -0.001 0.000 1.036 68 Y CA -1.346 56.684 58.100 -0.117 0.000 1.042 68 Y CB 0.831 38.860 38.460 -0.718 0.000 1.289 68 Y HN 0.332 nan 8.280 nan 0.000 0.471 69 L N 3.047 124.402 121.223 0.221 0.000 2.322 69 L HA 0.506 4.846 4.340 0.001 0.000 0.279 69 L C -1.304 175.769 176.870 0.337 0.000 1.036 69 L CA -0.973 53.979 54.840 0.187 0.000 0.807 69 L CB 1.502 43.604 42.059 0.071 0.000 1.226 69 L HN 0.774 nan 8.230 nan 0.000 0.433 70 Y N 2.504 122.906 120.300 0.170 0.000 2.441 70 Y HA 0.325 4.876 4.550 0.001 0.000 0.334 70 Y C -0.732 175.199 175.900 0.052 0.000 1.061 70 Y CA -1.303 56.816 58.100 0.031 0.000 1.032 70 Y CB 1.638 40.047 38.460 -0.085 0.000 1.266 70 Y HN 0.463 nan 8.280 nan 0.000 0.441 71 K N 5.130 125.188 120.400 -0.570 0.000 2.248 71 K HA 0.395 4.715 4.320 0.001 0.000 0.281 71 K C -1.157 175.065 176.600 -0.631 0.000 1.054 71 K CA -0.325 55.711 56.287 -0.418 0.000 0.903 71 K CB 0.739 33.116 32.500 -0.204 0.000 1.077 71 K HN 0.848 nan 8.250 nan 0.000 0.474 72 Q N 3.423 123.044 119.800 -0.298 0.000 2.285 72 Q HA 0.121 4.461 4.340 0.001 0.000 0.269 72 Q C -1.178 174.779 176.000 -0.072 0.000 1.030 72 Q CA -0.286 55.416 55.803 -0.169 0.000 0.788 72 Q CB 1.426 30.184 28.738 0.034 0.000 1.266 72 Q HN 0.794 nan 8.270 nan 0.000 0.438 73 E N 2.638 122.804 120.200 -0.057 0.000 2.637 73 E HA -0.344 4.007 4.350 0.001 0.000 0.265 73 E C -0.409 176.163 176.600 -0.046 0.000 1.073 73 E CA 0.614 56.993 56.400 -0.035 0.000 0.778 73 E CB -0.933 28.758 29.700 -0.015 0.000 1.362 73 E HN 0.869 nan 8.360 nan 0.000 0.413 74 N N -1.468 117.193 118.700 -0.065 0.000 2.900 74 N HA -0.176 4.564 4.740 0.001 0.000 0.240 74 N C -0.557 174.912 175.510 -0.069 0.000 0.953 74 N CA 1.312 54.327 53.050 -0.059 0.000 0.950 74 N CB -0.963 37.502 38.487 -0.037 0.000 1.102 74 N HN 0.401 nan 8.380 nan 0.000 0.593 75 N N 0.699 119.355 118.700 -0.073 0.000 2.492 75 N HA 0.429 5.170 4.740 0.001 0.000 0.289 75 N C 0.122 175.584 175.510 -0.081 0.000 1.133 75 N CA -0.266 52.743 53.050 -0.070 0.000 0.961 75 N CB 1.303 39.762 38.487 -0.047 0.000 1.186 75 N HN 0.102 nan 8.380 nan 0.000 0.493 76 I N 2.696 123.221 120.570 -0.075 0.000 2.312 76 I HA 0.294 4.465 4.170 0.001 0.000 0.290 76 I C -0.118 176.034 176.117 0.058 0.000 1.008 76 I CA -0.420 60.843 61.300 -0.061 0.000 1.226 76 I CB 0.823 38.721 38.000 -0.171 0.000 1.371 76 I HN 0.191 nan 8.210 nan 0.000 0.468 77 L N 6.670 127.952 121.223 0.099 0.000 2.334 77 L HA 0.635 4.976 4.340 0.001 0.000 0.272 77 L C -0.359 176.575 176.870 0.107 0.000 1.020 77 L CA -1.015 53.876 54.840 0.085 0.000 0.812 77 L CB 2.231 44.325 42.059 0.058 0.000 1.264 77 L HN 0.304 nan 8.230 nan 0.000 0.439 78 V N 1.903 121.800 119.914 -0.027 0.000 2.459 78 V HA 0.542 4.662 4.120 0.001 0.000 0.295 78 V C -1.041 174.904 176.094 -0.250 0.000 1.029 78 V CA -0.242 62.037 62.300 -0.034 0.000 0.874 78 V CB 1.506 33.358 31.823 0.048 0.000 0.985 78 V HN 0.482 nan 8.190 nan 0.000 0.438 79 F N 5.076 124.773 119.950 -0.421 0.000 2.522 79 F HA 0.511 5.039 4.527 0.001 0.000 0.324 79 F C 0.410 175.943 175.800 -0.444 0.000 1.077 79 F CA -0.613 57.063 58.000 -0.539 0.000 0.944 79 F CB 1.786 40.133 39.000 -1.088 0.000 1.175 79 F HN 0.512 nan 8.300 nan 0.000 0.468 80 N N 1.771 120.429 118.700 -0.070 0.000 2.426 80 N HA 0.272 5.013 4.740 0.001 0.000 0.257 80 N C 0.396 175.881 175.510 -0.042 0.000 1.002 80 N CA 0.086 53.131 53.050 -0.009 0.000 0.942 80 N CB 1.853 40.381 38.487 0.069 0.000 1.112 80 N HN 0.820 nan 8.380 nan 0.000 0.499 81 A N 3.845 126.595 122.820 -0.117 0.000 1.902 81 A HA -0.197 4.124 4.320 0.001 0.000 0.217 81 A C 1.891 179.260 177.584 -0.358 0.000 1.181 81 A CA 1.721 53.600 52.037 -0.262 0.000 0.623 81 A CB -0.543 18.057 19.000 -0.668 0.000 0.818 81 A HN 0.837 nan 8.150 nan 0.000 0.443 82 E N -0.895 119.067 120.200 -0.397 0.000 2.049 82 E HA -0.217 4.133 4.350 0.001 0.000 0.198 82 E C 1.372 177.688 176.600 -0.474 0.000 1.007 82 E CA 2.143 58.306 56.400 -0.395 0.000 0.809 82 E CB -0.396 28.984 29.700 -0.533 0.000 0.749 82 E HN 0.765 nan 8.360 nan 0.000 0.450 83 Y N -2.319 117.993 120.300 0.020 0.000 2.430 83 Y HA 0.350 4.901 4.550 0.001 0.000 0.248 83 Y C 1.547 177.459 175.900 0.020 0.000 1.108 83 Y CA -0.025 58.087 58.100 0.019 0.000 1.264 83 Y CB 1.262 39.731 38.460 0.015 0.000 1.172 83 Y HN 0.234 nan 8.280 nan 0.000 0.520 84 G N 1.216 110.101 108.800 0.142 0.000 2.179 84 G HA2 -0.318 3.642 3.960 0.001 0.000 0.260 84 G HA3 -0.318 3.642 3.960 0.001 0.000 0.260 84 G C -0.026 174.978 174.900 0.174 0.000 0.977 84 G CA 0.223 45.421 45.100 0.164 0.000 0.641 84 G HN 0.468 nan 8.290 nan 0.000 0.533 85 N N 0.499 119.263 118.700 0.107 0.000 2.503 85 N HA 0.550 5.291 4.740 0.001 0.000 0.267 85 N C 0.102 175.517 175.510 -0.159 0.000 1.214 85 N CA 0.670 53.716 53.050 -0.007 0.000 0.959 85 N CB 1.589 40.074 38.487 -0.004 0.000 1.142 85 N HN 0.897 nan 8.380 nan 0.000 0.455 86 S N -0.178 115.335 115.700 -0.311 0.000 2.685 86 S HA 0.734 5.205 4.470 0.001 0.000 0.282 86 S C -0.933 173.473 174.600 -0.324 0.000 1.159 86 S CA -0.821 57.060 58.200 -0.531 0.000 0.833 86 S CB 1.577 63.977 63.200 -1.334 0.000 1.151 86 S HN 0.626 nan 8.310 nan 0.000 0.485 87 S N -0.096 115.432 115.700 -0.287 0.000 2.588 87 S HA 0.642 5.112 4.470 0.001 0.000 0.275 87 S C -0.910 173.615 174.600 -0.124 0.000 1.130 87 S CA -0.725 57.379 58.200 -0.159 0.000 0.855 87 S CB 1.627 64.770 63.200 -0.094 0.000 1.116 87 S HN 0.750 nan 8.310 nan 0.000 0.472 88 V N 2.509 122.372 119.914 -0.086 0.000 2.614 88 V HA 0.244 4.365 4.120 0.001 0.000 0.291 88 V C 0.232 176.324 176.094 -0.003 0.000 1.049 88 V CA 0.255 62.527 62.300 -0.047 0.000 1.038 88 V CB 0.591 32.374 31.823 -0.067 0.000 0.980 88 V HN 0.956 nan 8.190 nan 0.000 0.481 89 F N 4.627 124.521 119.950 -0.094 0.000 2.602 89 F HA 0.508 5.036 4.527 0.001 0.000 0.284 89 F C 0.206 175.957 175.800 -0.082 0.000 1.111 89 F CA 0.217 58.171 58.000 -0.077 0.000 1.405 89 F CB 0.725 39.692 39.000 -0.056 0.000 1.121 89 F HN 0.363 nan 8.300 nan 0.000 0.603 90 L N 1.357 122.616 121.223 0.060 0.000 2.580 90 L HA 0.359 4.700 4.340 0.001 0.000 0.266 90 L C -1.099 175.718 176.870 -0.088 0.000 0.955 90 L CA -0.474 54.341 54.840 -0.042 0.000 0.886 90 L CB 1.207 43.294 42.059 0.047 0.000 1.263 90 L HN -0.186 nan 8.230 nan 0.000 0.406 91 E N 3.211 123.323 120.200 -0.146 0.000 2.384 91 E HA 0.063 4.414 4.350 0.001 0.000 0.266 91 E C 0.695 177.211 176.600 -0.140 0.000 1.012 91 E CA 0.016 56.332 56.400 -0.140 0.000 0.901 91 E CB 0.666 30.268 29.700 -0.164 0.000 0.967 91 E HN 0.662 nan 8.360 nan 0.000 0.435 92 N N 1.050 119.694 118.700 -0.094 0.000 2.381 92 N HA -0.162 4.579 4.740 0.001 0.000 0.182 92 N C 1.093 176.565 175.510 -0.063 0.000 1.025 92 N CA 1.141 54.153 53.050 -0.063 0.000 0.888 92 N CB -0.095 38.364 38.487 -0.048 0.000 0.965 92 N HN 0.296 nan 8.380 nan 0.000 0.438 93 S N -1.018 114.622 115.700 -0.100 0.000 2.503 93 S HA 0.047 4.517 4.470 0.001 0.000 0.217 93 S C 1.601 176.093 174.600 -0.180 0.000 0.999 93 S CA 0.251 58.391 58.200 -0.099 0.000 0.914 93 S CB -0.590 62.558 63.200 -0.086 0.000 0.782 93 S HN 0.172 nan 8.310 nan 0.000 0.520 94 T N 1.866 116.227 114.554 -0.322 0.000 2.751 94 T HA -0.099 4.251 4.350 0.001 0.000 0.268 94 T C 0.222 174.437 174.700 -0.807 0.000 1.045 94 T CA 1.532 63.252 62.100 -0.633 0.000 1.142 94 T CB -0.513 67.763 68.868 -0.986 0.000 0.851 94 T HN 0.586 nan 8.240 nan 0.000 0.474 95 F N 0.632 120.476 119.950 -0.176 0.000 2.855 95 F HA 0.344 4.872 4.527 0.001 0.000 0.317 95 F C 1.085 176.875 175.800 -0.016 0.000 1.169 95 F CA -1.184 56.742 58.000 -0.124 0.000 1.299 95 F CB 0.103 38.950 39.000 -0.255 0.000 0.962 95 F HN -0.067 nan 8.300 nan 0.000 0.506 96 D N 0.749 121.187 120.400 0.062 0.000 2.221 96 D HA -0.155 4.485 4.640 0.001 0.000 0.204 96 D C 1.075 177.414 176.300 0.066 0.000 0.982 96 D CA 1.411 55.442 54.000 0.051 0.000 0.857 96 D CB 0.109 40.908 40.800 -0.000 0.000 0.934 96 D HN 0.407 nan 8.370 nan 0.000 0.475 97 E N -1.127 119.125 120.200 0.086 0.000 2.685 97 E HA 0.087 4.438 4.350 0.001 0.000 0.208 97 E C 0.673 177.328 176.600 0.091 0.000 0.996 97 E CA -0.384 56.049 56.400 0.055 0.000 1.054 97 E CB 0.076 29.791 29.700 0.024 0.000 1.075 97 E HN 0.053 nan 8.360 nan 0.000 0.460 98 F N 0.908 120.861 119.950 0.004 0.000 2.216 98 F HA -0.015 4.512 4.527 0.001 0.000 0.300 98 F C 1.828 177.530 175.800 -0.165 0.000 1.085 98 F CA 1.931 59.920 58.000 -0.019 0.000 1.326 98 F CB -0.019 38.977 39.000 -0.006 0.000 1.027 98 F HN 0.207 nan 8.300 nan 0.000 0.497 99 G N -1.127 107.492 108.800 -0.302 0.000 2.199 99 G HA2 -0.251 3.710 3.960 0.001 0.000 0.254 99 G HA3 -0.251 3.710 3.960 0.001 0.000 0.254 99 G C 0.209 174.645 174.900 -0.772 0.000 0.982 99 G CA 0.385 45.151 45.100 -0.556 0.000 0.632 99 G HN 0.562 nan 8.290 nan 0.000 0.529 100 H N -0.199 118.658 119.070 -0.355 0.000 2.768 100 H HA 0.634 5.191 4.556 0.001 0.000 0.371 100 H C -0.491 174.882 175.328 0.076 0.000 1.151 100 H CA -0.058 55.870 56.048 -0.200 0.000 1.165 100 H CB 1.704 31.122 29.762 -0.572 0.000 1.722 100 H HN 0.140 nan 8.280 nan 0.000 0.543 101 S N 2.164 117.994 115.700 0.216 0.000 2.481 101 S HA 0.261 4.731 4.470 0.001 0.000 0.276 101 S C 0.301 175.012 174.600 0.186 0.000 1.247 101 S CA -0.690 57.606 58.200 0.160 0.000 1.053 101 S CB -0.511 62.754 63.200 0.109 0.000 0.925 101 S HN 0.352 nan 8.310 nan 0.000 0.491 102 I N 5.501 126.141 120.570 0.118 0.000 2.396 102 I HA 0.169 4.340 4.170 0.001 0.000 0.289 102 I C 1.360 177.498 176.117 0.035 0.000 1.056 102 I CA -0.388 60.947 61.300 0.059 0.000 1.365 102 I CB 0.828 38.770 38.000 -0.097 0.000 1.407 102 I HN 0.672 nan 8.210 nan 0.000 0.509 103 N N 3.676 122.395 118.700 0.033 0.000 2.207 103 N HA -0.078 4.663 4.740 0.001 0.000 0.182 103 N C -0.001 175.477 175.510 -0.053 0.000 1.020 103 N CA 1.251 54.271 53.050 -0.050 0.000 0.858 103 N CB 0.349 38.778 38.487 -0.097 0.000 0.991 103 N HN 0.740 nan 8.380 nan 0.000 0.427 104 D N -2.924 117.477 120.400 0.001 0.000 2.692 104 D HA 0.208 4.849 4.640 0.001 0.000 0.290 104 D C -1.729 174.640 176.300 0.115 0.000 1.281 104 D CA -0.601 53.415 54.000 0.025 0.000 0.804 104 D CB 0.603 41.383 40.800 -0.035 0.000 1.331 104 D HN 0.083 nan 8.370 nan 0.000 0.432 105 Y N -1.164 119.163 120.300 0.045 0.000 2.581 105 Y HA 0.773 5.324 4.550 0.001 0.000 0.345 105 Y C -1.219 174.767 175.900 0.143 0.000 1.036 105 Y CA -0.984 57.163 58.100 0.077 0.000 1.042 105 Y CB 1.940 40.429 38.460 0.048 0.000 1.289 105 Y HN 0.179 nan 8.280 nan 0.000 0.471 106 S N 3.118 119.010 115.700 0.319 0.000 2.750 106 S HA 0.562 5.032 4.470 0.001 0.000 0.276 106 S C -1.407 173.528 174.600 0.558 0.000 1.165 106 S CA -0.556 57.827 58.200 0.305 0.000 1.047 106 S CB 0.077 63.445 63.200 0.279 0.000 1.056 106 S HN 0.708 nan 8.310 nan 0.000 0.481 107 I N 4.384 125.197 120.570 0.405 0.000 2.428 107 I HA 0.274 4.445 4.170 0.001 0.000 0.289 107 I C 1.055 177.068 176.117 -0.173 0.000 1.019 107 I CA -0.431 61.001 61.300 0.219 0.000 1.351 107 I CB 1.636 39.727 38.000 0.152 0.000 1.412 107 I HN 0.770 nan 8.210 nan 0.000 0.513 108 S N 5.635 120.926 115.700 -0.681 0.000 2.573 108 S HA 0.145 4.616 4.470 0.001 0.000 0.277 108 S C -1.840 172.477 174.600 -0.472 0.000 1.346 108 S CA -0.921 56.489 58.200 -1.316 0.000 1.034 108 S CB 0.700 63.010 63.200 -1.484 0.000 0.879 108 S HN 0.416 nan 8.310 nan 0.000 0.528 109 P HA -0.146 nan 4.420 nan 0.000 0.216 109 P C 0.754 178.003 177.300 -0.085 0.000 1.150 109 P CA 1.641 64.668 63.100 -0.122 0.000 0.843 109 P CB -0.178 31.471 31.700 -0.085 0.000 0.787 110 D N -2.096 118.240 120.400 -0.106 0.000 2.349 110 D HA 0.071 4.712 4.640 0.001 0.000 0.224 110 D C 1.422 177.706 176.300 -0.026 0.000 1.029 110 D CA 0.644 54.616 54.000 -0.047 0.000 0.879 110 D CB -1.180 39.602 40.800 -0.031 0.000 0.906 110 D HN 0.212 nan 8.370 nan 0.000 0.528 111 G N 0.257 109.038 108.800 -0.033 0.000 2.189 111 G HA2 -0.440 3.521 3.960 0.001 0.000 0.267 111 G HA3 -0.440 3.521 3.960 0.001 0.000 0.267 111 G C 1.032 175.946 174.900 0.023 0.000 0.975 111 G CA 0.659 45.812 45.100 0.088 0.000 0.644 111 G HN 0.475 nan 8.290 nan 0.000 0.537 112 Q N -1.476 118.219 119.800 -0.174 0.000 2.245 112 Q HA 0.312 4.652 4.340 0.001 0.000 0.201 112 Q C 0.288 175.813 176.000 -0.792 0.000 0.955 112 Q CA 0.754 56.242 55.803 -0.525 0.000 0.870 112 Q CB 0.236 28.547 28.738 -0.713 0.000 0.945 112 Q HN 0.584 nan 8.270 nan 0.000 0.461 113 F N -0.711 119.197 119.950 -0.070 0.000 2.603 113 F HA 0.519 5.047 4.527 0.001 0.000 0.317 113 F C -0.577 175.319 175.800 0.159 0.000 1.066 113 F CA -1.261 56.758 58.000 0.032 0.000 0.941 113 F CB 1.665 40.685 39.000 0.034 0.000 1.291 113 F HN -0.212 nan 8.300 nan 0.000 0.472 114 I N 2.913 123.828 120.570 0.574 0.000 2.533 114 I HA 0.497 4.668 4.170 0.001 0.000 0.290 114 I C -1.859 174.592 176.117 0.557 0.000 1.056 114 I CA -1.061 60.570 61.300 0.551 0.000 1.057 114 I CB 1.572 39.851 38.000 0.466 0.000 1.240 114 I HN 0.545 nan 8.210 nan 0.000 0.423 115 L N 8.273 129.843 121.223 0.578 0.000 2.276 115 L HA 0.490 4.831 4.340 0.001 0.000 0.286 115 L C -1.258 175.769 176.870 0.262 0.000 1.061 115 L CA -0.020 55.038 54.840 0.362 0.000 0.807 115 L CB 1.055 43.241 42.059 0.212 0.000 1.177 115 L HN 0.494 nan 8.230 nan 0.000 0.429 116 L N 5.223 126.539 121.223 0.155 0.000 2.280 116 L HA 0.476 4.816 4.340 0.001 0.000 0.287 116 L C -0.094 176.860 176.870 0.140 0.000 1.023 116 L CA -0.418 54.420 54.840 -0.003 0.000 0.819 116 L CB 1.443 43.248 42.059 -0.423 0.000 1.212 116 L HN 0.635 nan 8.230 nan 0.000 0.420 117 E N 4.094 124.348 120.200 0.090 0.000 2.174 117 E HA 0.430 4.781 4.350 0.001 0.000 0.282 117 E C -1.560 175.062 176.600 0.037 0.000 0.992 117 E CA -0.477 55.862 56.400 -0.102 0.000 0.803 117 E CB 1.022 30.717 29.700 -0.009 0.000 1.090 117 E HN 0.438 nan 8.360 nan 0.000 0.396 118 Y N 1.641 121.791 120.300 -0.249 0.000 2.689 118 Y HA 0.426 4.977 4.550 0.001 0.000 0.333 118 Y C -0.263 175.550 175.900 -0.145 0.000 1.190 118 Y CA -1.687 56.346 58.100 -0.112 0.000 1.063 118 Y CB 0.460 38.922 38.460 0.003 0.000 1.294 118 Y HN 0.500 nan 8.280 nan 0.000 0.466 119 N N -0.169 118.513 118.700 -0.031 0.000 2.740 119 N HA -0.297 4.444 4.740 0.001 0.000 0.248 119 N C -1.034 174.418 175.510 -0.095 0.000 1.062 119 N CA 1.019 53.999 53.050 -0.117 0.000 0.704 119 N CB -1.533 36.758 38.487 -0.326 0.000 0.968 119 N HN 0.873 nan 8.380 nan 0.000 0.547 120 Y N -0.004 120.208 120.300 -0.145 0.000 2.544 120 Y HA 0.293 4.844 4.550 0.001 0.000 0.330 120 Y C 0.041 175.888 175.900 -0.088 0.000 1.136 120 Y CA -0.043 57.969 58.100 -0.147 0.000 1.417 120 Y CB 0.715 39.045 38.460 -0.216 0.000 1.229 120 Y HN -0.013 nan 8.280 nan 0.000 0.532 121 V N 8.028 127.566 119.914 -0.626 0.000 2.447 121 V HA 0.195 4.316 4.120 0.001 0.000 0.292 121 V C -0.294 175.404 176.094 -0.660 0.000 1.021 121 V CA -1.397 60.618 62.300 -0.475 0.000 0.850 121 V CB 1.266 32.950 31.823 -0.232 0.000 1.005 121 V HN 0.756 nan 8.190 nan 0.000 0.426 122 K N 3.583 123.616 120.400 -0.612 0.000 2.436 122 K HA 0.198 4.519 4.320 0.001 0.000 0.275 122 K C 0.389 176.826 176.600 -0.271 0.000 0.999 122 K CA 0.282 56.362 56.287 -0.346 0.000 0.980 122 K CB 1.115 33.615 32.500 0.001 0.000 0.919 122 K HN 0.822 nan 8.250 nan 0.000 0.484 123 Q N 2.822 122.446 119.800 -0.294 0.000 2.729 123 Q HA 0.173 4.514 4.340 0.001 0.000 0.228 123 Q C -0.003 175.716 176.000 -0.468 0.000 1.021 123 Q CA -0.431 54.995 55.803 -0.628 0.000 0.561 123 Q CB 0.117 28.332 28.738 -0.872 0.000 3.921 123 Q HN 0.716 nan 8.270 nan 0.000 0.430 124 W N 0.377 121.673 121.300 -0.007 0.000 1.763 124 W HA 0.294 4.955 4.660 0.001 0.000 0.619 124 W C 1.881 178.384 176.519 -0.026 0.000 1.755 124 W CA -0.448 56.916 57.345 0.032 0.000 1.933 124 W CB -0.182 29.252 29.460 -0.042 0.000 3.002 124 W HN 0.372 nan 8.180 nan 0.000 0.782 125 R N -0.629 119.961 120.500 0.150 0.000 2.096 125 R HA -0.145 4.196 4.340 0.001 0.000 0.235 125 R C 1.715 177.846 176.300 -0.282 0.000 1.127 125 R CA 1.972 57.985 56.100 -0.145 0.000 0.968 125 R CB -0.450 29.628 30.300 -0.371 0.000 0.861 125 R HN 0.478 nan 8.270 nan 0.000 0.440 126 H N -0.972 118.171 119.070 0.122 0.000 2.800 126 H HA 0.205 4.761 4.556 0.001 0.000 0.257 126 H C 0.497 175.908 175.328 0.138 0.000 0.967 126 H CA 0.508 56.646 56.048 0.150 0.000 1.192 126 H CB 0.187 30.009 29.762 0.101 0.000 1.441 126 H HN 0.207 nan 8.280 nan 0.000 0.461 127 S N 1.371 117.061 115.700 -0.016 0.000 2.585 127 S HA 0.363 4.834 4.470 0.001 0.000 0.273 127 S C -0.302 174.179 174.600 -0.198 0.000 1.339 127 S CA -0.438 57.470 58.200 -0.487 0.000 1.028 127 S CB 0.655 63.056 63.200 -1.333 0.000 0.906 127 S HN 0.464 nan 8.310 nan 0.000 0.528 128 Y N -2.452 117.704 120.300 -0.239 0.000 2.765 128 Y HA 0.600 5.151 4.550 0.001 0.000 0.350 128 Y C -0.869 175.010 175.900 -0.037 0.000 1.196 128 Y CA -0.862 57.094 58.100 -0.240 0.000 1.119 128 Y CB 0.370 38.620 38.460 -0.349 0.000 1.368 128 Y HN 0.914 nan 8.280 nan 0.000 0.463 129 T N 0.103 114.720 114.554 0.104 0.000 2.932 129 T HA 1.030 5.381 4.350 0.001 0.000 0.289 129 T C -0.446 174.333 174.700 0.133 0.000 1.039 129 T CA -0.121 62.056 62.100 0.129 0.000 1.024 129 T CB 1.794 70.687 68.868 0.041 0.000 1.090 129 T HN 1.942 nan 8.240 nan 0.000 0.496 130 A N 0.922 123.792 122.820 0.083 0.000 2.564 130 A HA 0.769 5.090 4.320 0.001 0.000 0.291 130 A C -0.609 176.733 177.584 -0.403 0.000 1.102 130 A CA -0.985 50.941 52.037 -0.186 0.000 0.660 130 A CB 1.049 19.917 19.000 -0.221 0.000 1.283 130 A HN 0.860 nan 8.150 nan 0.000 0.430 131 S N -0.635 114.593 115.700 -0.786 0.000 2.608 131 S HA 0.804 5.275 4.470 0.001 0.000 0.291 131 S C -1.452 172.510 174.600 -1.063 0.000 1.146 131 S CA -0.061 57.600 58.200 -0.898 0.000 1.043 131 S CB 0.652 63.031 63.200 -1.370 0.000 1.037 131 S HN 0.448 nan 8.310 nan 0.000 0.520 132 Y N 0.140 120.268 120.300 -0.287 0.000 2.553 132 Y HA 0.544 5.095 4.550 0.001 0.000 0.347 132 Y C -0.291 175.679 175.900 0.117 0.000 1.019 132 Y CA -0.926 57.151 58.100 -0.038 0.000 1.032 132 Y CB 1.831 40.185 38.460 -0.177 0.000 1.284 132 Y HN 0.490 nan 8.280 nan 0.000 0.466 133 D N 1.548 122.152 120.400 0.340 0.000 2.645 133 D HA 0.572 5.213 4.640 0.001 0.000 0.228 133 D C -1.145 175.268 176.300 0.188 0.000 1.148 133 D CA -0.352 53.804 54.000 0.259 0.000 0.860 133 D CB 2.701 43.722 40.800 0.369 0.000 1.548 133 D HN 0.393 nan 8.370 nan 0.000 0.460 134 I N 1.618 122.293 120.570 0.176 0.000 2.433 134 I HA 0.279 4.449 4.170 0.001 0.000 0.292 134 I C -1.091 175.220 176.117 0.324 0.000 1.001 134 I CA -0.999 60.437 61.300 0.227 0.000 1.119 134 I CB 1.740 39.810 38.000 0.117 0.000 1.289 134 I HN 0.223 nan 8.210 nan 0.000 0.438 135 Y N 5.601 126.065 120.300 0.273 0.000 2.335 135 Y HA 0.303 4.854 4.550 0.001 0.000 0.338 135 Y C -0.190 175.929 175.900 0.365 0.000 0.977 135 Y CA -0.675 57.607 58.100 0.303 0.000 1.114 135 Y CB 1.137 39.822 38.460 0.376 0.000 1.182 135 Y HN 0.495 nan 8.280 nan 0.000 0.463 136 D N 6.030 126.344 120.400 -0.143 0.000 2.325 136 D HA 0.076 4.717 4.640 0.001 0.000 0.251 136 D C 0.456 176.483 176.300 -0.456 0.000 1.196 136 D CA 0.275 54.229 54.000 -0.077 0.000 0.866 136 D CB 1.139 41.926 40.800 -0.021 0.000 1.101 136 D HN 0.881 nan 8.370 nan 0.000 0.476 137 L N 3.858 124.909 121.223 -0.287 0.000 2.418 137 L HA -0.030 4.310 4.340 0.001 0.000 0.218 137 L C 2.068 178.787 176.870 -0.253 0.000 1.125 137 L CA 0.216 54.932 54.840 -0.207 0.000 0.835 137 L CB -0.127 41.857 42.059 -0.124 0.000 0.953 137 L HN 0.362 nan 8.230 nan 0.000 0.454 138 N N 1.020 119.541 118.700 -0.297 0.000 2.220 138 N HA -0.119 4.622 4.740 0.001 0.000 0.182 138 N C 1.448 176.851 175.510 -0.180 0.000 1.023 138 N CA 1.119 54.033 53.050 -0.226 0.000 0.856 138 N CB -0.046 38.302 38.487 -0.231 0.000 0.997 138 N HN 0.445 nan 8.380 nan 0.000 0.429 139 K N 0.830 121.118 120.400 -0.186 0.000 2.437 139 K HA 0.223 4.544 4.320 0.001 0.000 0.198 139 K C -0.254 176.238 176.600 -0.180 0.000 1.024 139 K CA -0.295 55.905 56.287 -0.144 0.000 1.148 139 K CB 0.444 32.882 32.500 -0.102 0.000 0.860 139 K HN -0.232 nan 8.250 nan 0.000 0.515 140 R N 1.443 121.786 120.500 -0.262 0.000 3.225 140 R HA -0.216 4.125 4.340 0.001 0.000 0.245 140 R C -0.809 175.311 176.300 -0.300 0.000 0.928 140 R CA 1.045 56.983 56.100 -0.269 0.000 0.632 140 R CB -2.239 28.030 30.300 -0.052 0.000 1.038 140 R HN 0.823 nan 8.270 nan 0.000 0.461 141 Q N -0.030 119.438 119.800 -0.553 0.000 2.379 141 Q HA 0.487 4.828 4.340 0.001 0.000 0.278 141 Q C -1.224 174.659 176.000 -0.194 0.000 1.068 141 Q CA -1.003 54.666 55.803 -0.224 0.000 0.816 141 Q CB 1.654 30.337 28.738 -0.091 0.000 1.387 141 Q HN 0.147 nan 8.270 nan 0.000 0.413 142 L N 3.498 124.824 121.223 0.171 0.000 2.371 142 L HA 0.412 4.752 4.340 0.001 0.000 0.272 142 L C -0.595 176.369 176.870 0.156 0.000 1.124 142 L CA 0.128 55.152 54.840 0.307 0.000 0.816 142 L CB 0.944 43.242 42.059 0.399 0.000 1.129 142 L HN 0.628 nan 8.230 nan 0.000 0.448 143 I N 3.566 124.223 120.570 0.145 0.000 2.371 143 I HA 0.159 4.330 4.170 0.001 0.000 0.290 143 I C 0.885 177.043 176.117 0.069 0.000 1.028 143 I CA 0.008 61.354 61.300 0.076 0.000 1.345 143 I CB 1.112 39.136 38.000 0.040 0.000 1.407 143 I HN 0.783 nan 8.210 nan 0.000 0.501 144 T N 0.543 115.122 114.554 0.042 0.000 3.010 144 T HA 0.236 4.587 4.350 0.001 0.000 0.257 144 T C 0.456 175.154 174.700 -0.002 0.000 1.020 144 T CA -0.301 61.817 62.100 0.029 0.000 0.938 144 T CB 0.016 68.903 68.868 0.032 0.000 1.049 144 T HN 0.516 nan 8.240 nan 0.000 0.522 145 E N 2.236 122.428 120.200 -0.012 0.000 2.216 145 E HA 0.337 4.688 4.350 0.001 0.000 0.279 145 E C -0.448 176.119 176.600 -0.054 0.000 0.997 145 E CA -0.804 55.578 56.400 -0.031 0.000 0.817 145 E CB 0.653 30.338 29.700 -0.024 0.000 1.096 145 E HN 0.113 nan 8.360 nan 0.000 0.393 146 E N 1.312 121.469 120.200 -0.071 0.000 2.297 146 E HA -0.236 4.114 4.350 0.001 0.000 0.228 146 E C -0.658 175.863 176.600 -0.131 0.000 1.213 146 E CA 0.722 57.062 56.400 -0.100 0.000 0.712 146 E CB -1.623 28.025 29.700 -0.087 0.000 1.202 146 E HN 0.565 nan 8.360 nan 0.000 0.376 147 R N -0.249 120.169 120.500 -0.137 0.000 2.582 147 R HA 0.520 4.861 4.340 0.001 0.000 0.271 147 R C 1.008 177.133 176.300 -0.292 0.000 1.078 147 R CA -0.741 55.261 56.100 -0.164 0.000 1.127 147 R CB 0.617 30.861 30.300 -0.093 0.000 1.038 147 R HN 0.009 nan 8.270 nan 0.000 0.500 148 I N 2.750 123.099 120.570 -0.369 0.000 2.752 148 I HA -0.030 4.141 4.170 0.001 0.000 0.289 148 I C -1.687 174.100 176.117 -0.549 0.000 1.197 148 I CA -1.300 59.611 61.300 -0.649 0.000 1.432 148 I CB 0.087 37.705 38.000 -0.636 0.000 1.359 148 I HN 0.398 nan 8.210 nan 0.000 0.571 149 P HA 0.033 nan 4.420 nan 0.000 0.270 149 P C -0.642 176.407 177.300 -0.418 0.000 1.227 149 P CA -0.259 62.393 63.100 -0.746 0.000 0.788 149 P CB 0.405 31.140 31.700 -1.608 0.000 0.926 150 N N 1.909 120.470 118.700 -0.233 0.000 2.483 150 N HA 0.076 4.816 4.740 0.001 0.000 0.269 150 N C 0.199 175.769 175.510 0.100 0.000 1.209 150 N CA 0.028 53.019 53.050 -0.099 0.000 0.969 150 N CB -0.015 38.427 38.487 -0.075 0.000 1.173 150 N HN 0.417 nan 8.380 nan 0.000 0.475 151 N N -0.473 118.261 118.700 0.057 0.000 2.776 151 N HA -0.148 4.593 4.740 0.001 0.000 0.249 151 N C -0.801 174.882 175.510 0.287 0.000 1.111 151 N CA 0.686 53.820 53.050 0.141 0.000 0.711 151 N CB -1.655 36.927 38.487 0.158 0.000 1.065 151 N HN 0.473 nan 8.380 nan 0.000 0.556 152 T N 0.826 115.534 114.554 0.257 0.000 2.901 152 T HA 0.116 4.467 4.350 0.001 0.000 0.301 152 T C 1.718 176.580 174.700 0.271 0.000 1.012 152 T CA 0.094 62.380 62.100 0.309 0.000 1.135 152 T CB 1.207 70.166 68.868 0.151 0.000 0.936 152 T HN 0.167 nan 8.240 nan 0.000 0.539 153 Q N 1.665 121.614 119.800 0.248 0.000 2.302 153 Q HA 0.156 4.497 4.340 0.001 0.000 0.202 153 Q C 0.111 176.253 176.000 0.236 0.000 0.936 153 Q CA 0.367 56.315 55.803 0.241 0.000 0.886 153 Q CB 0.780 29.611 28.738 0.154 0.000 0.986 153 Q HN 0.706 nan 8.270 nan 0.000 0.487 154 W N -0.360 120.895 121.300 -0.075 0.000 3.645 154 W HA 0.470 5.131 4.660 0.001 0.000 0.285 154 W C -2.418 174.010 176.519 -0.151 0.000 1.266 154 W CA -0.695 56.556 57.345 -0.156 0.000 1.212 154 W CB 1.038 30.333 29.460 -0.276 0.000 1.306 154 W HN -0.278 nan 8.180 nan 0.000 0.552 155 V N 4.419 123.559 119.914 -1.290 0.000 3.049 155 V HA 0.865 4.985 4.120 0.001 0.000 0.309 155 V C -1.426 173.960 176.094 -1.181 0.000 1.148 155 V CA -0.134 61.559 62.300 -1.011 0.000 0.990 155 V CB 2.393 33.562 31.823 -1.089 0.000 1.039 155 V HN 0.626 nan 8.190 nan 0.000 0.430 156 T N 4.742 118.950 114.554 -0.577 0.000 3.159 156 T HA 0.434 4.785 4.350 0.001 0.000 0.343 156 T C -1.397 173.325 174.700 0.036 0.000 1.364 156 T CA -0.336 61.625 62.100 -0.232 0.000 1.102 156 T CB 0.669 69.629 68.868 0.153 0.000 1.263 156 T HN 0.707 nan 8.240 nan 0.000 0.477 157 W N 3.210 124.550 121.300 0.066 0.000 2.126 157 W HA 0.458 5.118 4.660 0.001 0.000 0.346 157 W C 1.333 177.738 176.519 -0.191 0.000 1.279 157 W CA -0.473 56.874 57.345 0.003 0.000 1.259 157 W CB 0.615 30.072 29.460 -0.004 0.000 1.133 157 W HN 0.818 nan 8.180 nan 0.000 0.592 158 S N 1.719 117.207 115.700 -0.353 0.000 2.608 158 S HA 0.137 4.608 4.470 0.001 0.000 0.261 158 S C -1.481 172.830 174.600 -0.481 0.000 1.314 158 S CA -0.972 56.407 58.200 -1.368 0.000 0.992 158 S CB 0.756 63.100 63.200 -1.426 0.000 0.935 158 S HN 0.402 nan 8.310 nan 0.000 0.564 159 P HA 0.083 nan 4.420 nan 0.000 0.221 159 P C 0.009 177.254 177.300 -0.092 0.000 1.150 159 P CA 0.649 63.692 63.100 -0.095 0.000 0.800 159 P CB 0.049 31.740 31.700 -0.015 0.000 0.787 160 V N -1.176 118.636 119.914 -0.169 0.000 2.823 160 V HA 0.626 4.746 4.120 0.001 0.000 0.312 160 V C 0.850 176.831 176.094 -0.189 0.000 1.072 160 V CA 0.183 62.403 62.300 -0.134 0.000 0.937 160 V CB 1.016 32.773 31.823 -0.110 0.000 1.013 160 V HN 0.469 nan 8.190 nan 0.000 0.430 161 G N 2.851 111.549 108.800 -0.170 0.000 2.527 161 G HA2 -0.226 3.735 3.960 0.001 0.000 0.268 161 G HA3 -0.226 3.735 3.960 0.001 0.000 0.268 161 G C 0.179 174.967 174.900 -0.187 0.000 1.175 161 G CA 0.645 45.595 45.100 -0.251 0.000 0.962 161 G HN 1.808 nan 8.290 nan 0.000 0.560 162 H N -0.598 118.472 119.070 0.001 0.000 3.038 162 H HA 0.423 4.979 4.556 0.001 0.000 0.238 162 H C 0.322 175.846 175.328 0.328 0.000 1.246 162 H CA -0.171 55.940 56.048 0.105 0.000 0.966 162 H CB -0.080 29.793 29.762 0.186 0.000 2.394 162 H HN 0.506 nan 8.280 nan 0.000 0.633 163 K N 1.577 122.127 120.400 0.248 0.000 2.138 163 K HA 0.490 4.810 4.320 0.001 0.000 0.251 163 K C -0.418 176.369 176.600 0.311 0.000 1.015 163 K CA -0.395 56.030 56.287 0.230 0.000 0.917 163 K CB 1.624 34.128 32.500 0.006 0.000 1.021 163 K HN 0.111 nan 8.250 nan 0.000 0.485 164 L N 0.600 121.995 121.223 0.287 0.000 2.388 164 L HA 0.602 4.943 4.340 0.001 0.000 0.264 164 L C -1.077 175.997 176.870 0.340 0.000 0.998 164 L CA -0.857 54.086 54.840 0.170 0.000 0.817 164 L CB 2.192 44.179 42.059 -0.121 0.000 1.338 164 L HN 0.722 nan 8.230 nan 0.000 0.414 165 A N 2.369 125.359 122.820 0.284 0.000 2.398 165 A HA 0.806 5.127 4.320 0.001 0.000 0.301 165 A C -1.644 175.949 177.584 0.015 0.000 1.041 165 A CA -0.380 51.709 52.037 0.087 0.000 0.711 165 A CB 1.184 20.136 19.000 -0.081 0.000 1.240 165 A HN 0.649 nan 8.150 nan 0.000 0.420 166 Y N -0.486 119.753 120.300 -0.101 0.000 2.615 166 Y HA 0.805 5.356 4.550 0.001 0.000 0.341 166 Y C -1.195 174.706 175.900 0.001 0.000 1.089 166 Y CA -1.598 56.418 58.100 -0.141 0.000 1.049 166 Y CB 1.171 39.477 38.460 -0.256 0.000 1.296 166 Y HN 0.410 nan 8.280 nan 0.000 0.470 167 V N 1.784 121.814 119.914 0.194 0.000 2.495 167 V HA 0.413 4.533 4.120 0.001 0.000 0.298 167 V C -1.501 174.806 176.094 0.356 0.000 1.031 167 V CA -0.626 61.771 62.300 0.161 0.000 0.871 167 V CB 1.505 33.346 31.823 0.031 0.000 0.988 167 V HN 0.878 nan 8.190 nan 0.000 0.432 168 W N 4.556 125.937 121.300 0.135 0.000 3.259 168 W HA 0.460 5.120 4.660 0.001 0.000 0.331 168 W C 0.261 176.823 176.519 0.071 0.000 1.144 168 W CA -0.824 56.576 57.345 0.092 0.000 1.227 168 W CB 1.276 30.762 29.460 0.043 0.000 1.371 168 W HN 0.784 nan 8.180 nan 0.000 0.491 169 N N 5.256 123.646 118.700 -0.518 0.000 2.721 169 N HA -0.355 4.385 4.740 0.001 0.000 0.249 169 N C 0.162 175.523 175.510 -0.249 0.000 1.072 169 N CA 1.058 53.790 53.050 -0.530 0.000 0.710 169 N CB -1.082 36.891 38.487 -0.857 0.000 0.993 169 N HN 0.808 nan 8.380 nan 0.000 0.547 170 N N -2.020 116.595 118.700 -0.143 0.000 2.878 170 N HA -0.167 4.574 4.740 0.001 0.000 0.247 170 N C -1.296 174.152 175.510 -0.104 0.000 1.021 170 N CA 1.052 54.035 53.050 -0.112 0.000 0.873 170 N CB -0.374 38.006 38.487 -0.178 0.000 1.128 170 N HN 0.428 nan 8.380 nan 0.000 0.571 171 D N 0.523 120.875 120.400 -0.080 0.000 2.433 171 D HA 0.493 5.134 4.640 0.001 0.000 0.236 171 D C 0.173 176.331 176.300 -0.238 0.000 1.026 171 D CA -0.384 53.493 54.000 -0.206 0.000 0.884 171 D CB 1.646 42.274 40.800 -0.286 0.000 1.384 171 D HN 0.026 nan 8.370 nan 0.000 0.477 172 I N 1.697 121.964 120.570 -0.505 0.000 2.396 172 I HA 0.220 4.391 4.170 0.001 0.000 0.292 172 I C -0.668 174.983 176.117 -0.777 0.000 0.999 172 I CA -0.383 60.592 61.300 -0.542 0.000 1.310 172 I CB 0.521 38.116 38.000 -0.676 0.000 1.404 172 I HN 0.156 nan 8.210 nan 0.000 0.496 173 Y N 4.076 123.979 120.300 -0.662 0.000 2.512 173 Y HA 0.613 5.163 4.550 0.001 0.000 0.348 173 Y C -0.337 175.228 175.900 -0.558 0.000 0.990 173 Y CA -0.910 56.769 58.100 -0.702 0.000 1.033 173 Y CB 2.064 39.835 38.460 -1.150 0.000 1.259 173 Y HN 0.115 nan 8.280 nan 0.000 0.461 174 V N 2.932 122.789 119.914 -0.095 0.000 2.656 174 V HA 0.479 4.600 4.120 0.001 0.000 0.307 174 V C -0.862 175.378 176.094 0.242 0.000 1.051 174 V CA -1.358 60.986 62.300 0.074 0.000 0.893 174 V CB 2.027 33.900 31.823 0.084 0.000 0.999 174 V HN 0.618 nan 8.190 nan 0.000 0.426 175 K N 4.363 124.914 120.400 0.251 0.000 2.483 175 K HA 0.484 4.805 4.320 0.001 0.000 0.256 175 K C 0.403 177.155 176.600 0.253 0.000 0.961 175 K CA -0.713 55.712 56.287 0.231 0.000 0.873 175 K CB 1.696 34.283 32.500 0.144 0.000 1.107 175 K HN 0.434 nan 8.250 nan 0.000 0.432 176 I N 1.235 121.978 120.570 0.290 0.000 2.394 176 I HA -0.107 4.064 4.170 0.001 0.000 0.251 176 I C 0.401 176.660 176.117 0.238 0.000 1.136 176 I CA 1.530 62.982 61.300 0.254 0.000 1.425 176 I CB -0.373 37.782 38.000 0.258 0.000 1.079 176 I HN 0.558 nan 8.210 nan 0.000 0.425 177 E N -0.482 119.815 120.200 0.162 0.000 2.314 177 E HA 0.285 4.636 4.350 0.001 0.000 0.272 177 E C -1.950 174.612 176.600 -0.064 0.000 0.884 177 E CA -1.999 54.438 56.400 0.061 0.000 0.753 177 E CB 1.759 31.493 29.700 0.056 0.000 1.213 177 E HN -0.169 nan 8.360 nan 0.000 0.432 178 P HA -0.185 nan 4.420 nan 0.000 0.218 178 P C 0.706 177.897 177.300 -0.181 0.000 1.146 178 P CA 1.597 64.519 63.100 -0.296 0.000 0.813 178 P CB 0.242 31.540 31.700 -0.670 0.000 0.778 179 N N -2.195 116.420 118.700 -0.143 0.000 2.299 179 N HA 0.046 4.787 4.740 0.001 0.000 0.187 179 N C 0.302 175.780 175.510 -0.054 0.000 1.099 179 N CA -0.002 53.001 53.050 -0.078 0.000 0.867 179 N CB -0.387 38.071 38.487 -0.047 0.000 0.974 179 N HN 0.029 nan 8.380 nan 0.000 0.477 180 L N 1.226 122.422 121.223 -0.044 0.000 2.399 180 L HA 0.469 4.810 4.340 0.001 0.000 0.266 180 L C -1.945 174.884 176.870 -0.068 0.000 1.114 180 L CA -2.417 52.400 54.840 -0.037 0.000 0.804 180 L CB 0.737 42.796 42.059 -0.000 0.000 1.146 180 L HN 0.019 nan 8.230 nan 0.000 0.451 181 P HA 0.018 nan 4.420 nan 0.000 0.269 181 P C -0.793 176.383 177.300 -0.208 0.000 1.215 181 P CA -0.298 62.718 63.100 -0.141 0.000 0.780 181 P CB 0.759 32.369 31.700 -0.150 0.000 0.898 182 S N 1.631 117.254 115.700 -0.128 0.000 2.616 182 S HA 0.419 4.890 4.470 0.001 0.000 0.277 182 S C -0.561 173.951 174.600 -0.146 0.000 1.234 182 S CA -0.537 57.625 58.200 -0.064 0.000 1.028 182 S CB 0.157 63.433 63.200 0.126 0.000 0.988 182 S HN 0.303 nan 8.310 nan 0.000 0.522 183 Y N 0.419 120.744 120.300 0.042 0.000 2.313 183 Y HA 0.421 4.971 4.550 0.001 0.000 0.332 183 Y C 1.174 176.988 175.900 -0.143 0.000 1.071 183 Y CA -0.802 57.295 58.100 -0.005 0.000 1.169 183 Y CB 0.827 39.283 38.460 -0.007 0.000 1.192 183 Y HN 0.476 nan 8.280 nan 0.000 0.487 184 R N 3.645 124.083 120.500 -0.102 0.000 2.298 184 R HA 0.181 4.522 4.340 0.001 0.000 0.310 184 R C 0.224 176.246 176.300 -0.463 0.000 1.068 184 R CA 0.074 55.789 56.100 -0.643 0.000 0.957 184 R CB 0.611 30.360 30.300 -0.918 0.000 1.003 184 R HN 0.778 nan 8.270 nan 0.000 0.454 185 I N 1.291 121.485 120.570 -0.626 0.000 2.927 185 I HA -0.033 4.138 4.170 0.001 0.000 0.268 185 I C 1.220 177.102 176.117 -0.392 0.000 1.153 185 I CA 1.032 62.089 61.300 -0.404 0.000 1.459 185 I CB -0.391 37.329 38.000 -0.467 0.000 1.149 185 I HN 0.508 nan 8.210 nan 0.000 0.443 186 T N -3.873 110.314 114.554 -0.611 0.000 2.906 186 T HA 0.423 4.773 4.350 0.001 0.000 0.295 186 T C -0.738 173.638 174.700 -0.541 0.000 1.061 186 T CA -0.512 61.342 62.100 -0.409 0.000 1.000 186 T CB 1.957 70.578 68.868 -0.411 0.000 1.103 186 T HN 0.159 nan 8.240 nan 0.000 0.486 187 W N 0.243 121.434 121.300 -0.181 0.000 2.518 187 W HA 0.235 4.896 4.660 0.001 0.000 0.352 187 W C 1.893 178.362 176.519 -0.085 0.000 0.952 187 W CA -0.063 57.210 57.345 -0.119 0.000 1.624 187 W CB 0.213 29.623 29.460 -0.084 0.000 1.135 187 W HN 0.917 nan 8.180 nan 0.000 0.540 188 T N -2.610 111.992 114.554 0.079 0.000 3.081 188 T HA 0.251 4.602 4.350 0.001 0.000 0.250 188 T C 1.299 176.003 174.700 0.008 0.000 1.100 188 T CA 0.253 62.385 62.100 0.053 0.000 1.038 188 T CB -0.224 68.674 68.868 0.050 0.000 0.962 188 T HN 0.020 nan 8.240 nan 0.000 0.516 189 G N 1.414 110.189 108.800 -0.042 0.000 2.178 189 G HA2 0.286 4.246 3.960 0.001 0.000 0.244 189 G HA3 0.286 4.246 3.960 0.001 0.000 0.244 189 G C -0.552 174.296 174.900 -0.087 0.000 1.213 189 G CA -0.305 44.748 45.100 -0.079 0.000 0.912 189 G HN 0.572 nan 8.290 nan 0.000 0.474 190 K N 2.140 122.470 120.400 -0.116 0.000 2.615 190 K HA 0.174 4.495 4.320 0.001 0.000 0.249 190 K C -0.009 176.477 176.600 -0.190 0.000 0.977 190 K CA -0.670 55.547 56.287 -0.117 0.000 0.833 190 K CB 1.396 33.864 32.500 -0.053 0.000 1.208 190 K HN 0.649 nan 8.250 nan 0.000 0.443 191 E N 3.371 123.461 120.200 -0.183 0.000 2.765 191 E HA -0.183 4.168 4.350 0.001 0.000 0.256 191 E C -0.567 175.941 176.600 -0.153 0.000 0.935 191 E CA 1.073 57.358 56.400 -0.192 0.000 0.954 191 E CB 0.250 29.876 29.700 -0.123 0.000 0.908 191 E HN 0.667 nan 8.360 nan 0.000 0.500 192 D N 2.506 122.792 120.400 -0.189 0.000 3.059 192 D HA -0.238 4.403 4.640 0.001 0.000 0.213 192 D C 0.503 176.860 176.300 0.095 0.000 1.144 192 D CA 1.326 55.346 54.000 0.033 0.000 0.975 192 D CB -0.461 40.397 40.800 0.097 0.000 1.125 192 D HN 0.422 nan 8.370 nan 0.000 0.412 193 I N -1.158 119.383 120.570 -0.048 0.000 3.669 193 I HA 0.096 4.267 4.170 0.001 0.000 0.255 193 I C 0.731 176.950 176.117 0.171 0.000 1.144 193 I CA 0.340 61.702 61.300 0.102 0.000 1.447 193 I CB 0.149 38.179 38.000 0.049 0.000 1.622 193 I HN -0.140 nan 8.210 nan 0.000 0.435 194 I N 1.919 122.503 120.570 0.024 0.000 2.362 194 I HA 0.265 4.436 4.170 0.001 0.000 0.289 194 I C -1.235 174.915 176.117 0.055 0.000 0.994 194 I CA -0.509 60.869 61.300 0.130 0.000 1.158 194 I CB 0.857 38.902 38.000 0.076 0.000 1.315 194 I HN 0.046 nan 8.210 nan 0.000 0.451 195 Y N 4.776 125.185 120.300 0.182 0.000 2.328 195 Y HA 0.398 4.949 4.550 0.001 0.000 0.333 195 Y C 0.348 176.339 175.900 0.152 0.000 0.958 195 Y CA -0.838 57.373 58.100 0.185 0.000 1.167 195 Y CB 1.059 39.701 38.460 0.304 0.000 1.151 195 Y HN 0.413 nan 8.280 nan 0.000 0.470 196 N N 2.074 120.863 118.700 0.149 0.000 2.424 196 N HA 0.363 5.104 4.740 0.001 0.000 0.271 196 N C 0.884 176.361 175.510 -0.055 0.000 0.985 196 N CA 0.463 53.533 53.050 0.034 0.000 0.921 196 N CB 1.915 40.317 38.487 -0.141 0.000 1.149 196 N HN 0.961 nan 8.380 nan 0.000 0.492 197 G N 1.500 110.285 108.800 -0.025 0.000 2.205 197 G HA2 -0.264 3.697 3.960 0.001 0.000 0.261 197 G HA3 -0.264 3.697 3.960 0.001 0.000 0.261 197 G C 0.160 174.934 174.900 -0.211 0.000 0.980 197 G CA 0.797 45.806 45.100 -0.151 0.000 0.632 197 G HN 0.664 nan 8.290 nan 0.000 0.533 198 I N -1.495 119.023 120.570 -0.087 0.000 2.934 198 I HA 0.833 5.004 4.170 0.001 0.000 0.306 198 I C 0.299 176.474 176.117 0.095 0.000 1.110 198 I CA -0.611 60.556 61.300 -0.221 0.000 1.019 198 I CB 2.091 39.784 38.000 -0.512 0.000 1.227 198 I HN 0.175 nan 8.210 nan 0.000 0.434 199 T N -0.490 114.056 114.554 -0.014 0.000 2.918 199 T HA 0.400 4.751 4.350 0.001 0.000 0.283 199 T C -0.214 174.310 174.700 -0.294 0.000 1.001 199 T CA -0.684 61.243 62.100 -0.287 0.000 1.041 199 T CB 1.423 70.201 68.868 -0.151 0.000 1.028 199 T HN 0.766 nan 8.240 nan 0.000 0.511 200 D N 0.185 120.131 120.400 -0.756 0.000 2.478 200 D HA 0.038 4.679 4.640 0.001 0.000 0.274 200 D C 0.985 177.210 176.300 -0.126 0.000 1.234 200 D CA -1.067 52.507 54.000 -0.709 0.000 1.069 200 D CB 0.082 40.386 40.800 -0.828 0.000 1.113 200 D HN 0.700 nan 8.370 nan 0.000 0.571 201 W N 0.028 121.273 121.300 -0.092 0.000 2.317 201 W HA -0.226 4.434 4.660 0.001 0.000 0.318 201 W C 2.208 178.618 176.519 -0.182 0.000 1.227 201 W CA 2.456 59.732 57.345 -0.116 0.000 1.269 201 W CB -0.494 28.836 29.460 -0.216 0.000 1.155 201 W HN 0.181 nan 8.180 nan 0.000 0.484 202 V N -0.190 119.798 119.914 0.124 0.000 2.427 202 V HA -0.292 3.829 4.120 0.001 0.000 0.248 202 V C 1.885 177.814 176.094 -0.275 0.000 1.051 202 V CA 2.019 64.272 62.300 -0.078 0.000 1.048 202 V CB -0.748 31.032 31.823 -0.071 0.000 0.666 202 V HN 0.304 nan 8.190 nan 0.000 0.456 203 Y N 0.597 120.723 120.300 -0.290 0.000 2.293 203 Y HA -0.157 4.394 4.550 0.001 0.000 0.291 203 Y C 2.568 178.367 175.900 -0.169 0.000 1.137 203 Y CA 2.026 59.963 58.100 -0.271 0.000 1.202 203 Y CB -0.021 38.178 38.460 -0.434 0.000 0.990 203 Y HN 0.407 nan 8.280 nan 0.000 0.537 204 E N 0.401 120.563 120.200 -0.063 0.000 2.028 204 E HA -0.279 4.071 4.350 0.001 0.000 0.191 204 E C 2.008 178.570 176.600 -0.064 0.000 0.988 204 E CA 1.533 57.925 56.400 -0.013 0.000 0.799 204 E CB 0.000 29.685 29.700 -0.025 0.000 0.755 204 E HN 0.402 nan 8.360 nan 0.000 0.447 205 E N 0.214 120.186 120.200 -0.381 0.000 2.076 205 E HA -0.145 4.206 4.350 0.001 0.000 0.190 205 E C 1.716 178.198 176.600 -0.197 0.000 0.979 205 E CA 1.461 57.623 56.400 -0.398 0.000 0.807 205 E CB 0.161 29.248 29.700 -1.022 0.000 0.761 205 E HN 0.244 nan 8.360 nan 0.000 0.454 206 E N -0.666 119.393 120.200 -0.236 0.000 2.340 206 E HA 0.078 4.429 4.350 0.001 0.000 0.198 206 E C 1.943 178.423 176.600 -0.199 0.000 0.961 206 E CA 0.507 56.817 56.400 -0.150 0.000 0.905 206 E CB 0.642 30.245 29.700 -0.161 0.000 0.884 206 E HN 0.193 nan 8.360 nan 0.000 0.491 207 V N -0.026 119.707 119.914 -0.302 0.000 2.484 207 V HA 0.002 4.123 4.120 0.001 0.000 0.236 207 V C 1.619 177.482 176.094 -0.384 0.000 1.062 207 V CA 0.989 63.024 62.300 -0.441 0.000 1.081 207 V CB -0.321 31.087 31.823 -0.692 0.000 0.751 207 V HN 0.034 nan 8.190 nan 0.000 0.484 208 F N 0.354 120.332 119.950 0.046 0.000 2.698 208 F HA 0.288 4.815 4.527 0.001 0.000 0.295 208 F C 1.584 177.352 175.800 -0.053 0.000 1.124 208 F CA 0.249 58.282 58.000 0.055 0.000 1.426 208 F CB -0.340 38.734 39.000 0.122 0.000 1.120 208 F HN 0.063 nan 8.300 nan 0.000 0.583 209 S N 0.466 116.185 115.700 0.032 0.000 3.614 209 S HA 0.034 4.505 4.470 0.001 0.000 0.360 209 S C -0.012 174.169 174.600 -0.699 0.000 1.023 209 S CA 0.402 58.480 58.200 -0.203 0.000 1.114 209 S CB -1.613 61.528 63.200 -0.097 0.000 0.907 209 S HN 0.684 nan 8.310 nan 0.000 0.470 210 A N -0.488 122.130 122.820 -0.336 0.000 2.599 210 A HA 0.660 4.980 4.320 0.001 0.000 0.294 210 A C -0.318 177.233 177.584 -0.055 0.000 1.055 210 A CA -0.448 51.415 52.037 -0.290 0.000 0.683 210 A CB 0.266 19.118 19.000 -0.246 0.000 1.278 210 A HN 0.359 nan 8.150 nan 0.000 0.412 211 Y N 1.612 121.758 120.300 -0.257 0.000 2.314 211 Y HA 0.171 4.721 4.550 0.001 0.000 0.294 211 Y C 1.634 177.250 175.900 -0.472 0.000 1.119 211 Y CA 1.161 59.118 58.100 -0.239 0.000 1.179 211 Y CB -0.087 38.273 38.460 -0.167 0.000 1.025 211 Y HN 0.745 nan 8.280 nan 0.000 0.541 212 S N 0.673 115.851 115.700 -0.869 0.000 2.549 212 S HA 0.374 4.845 4.470 0.001 0.000 0.286 212 S C 0.354 174.401 174.600 -0.921 0.000 1.314 212 S CA 0.216 57.637 58.200 -1.299 0.000 1.062 212 S CB 0.382 62.461 63.200 -1.868 0.000 0.865 212 S HN 0.452 nan 8.310 nan 0.000 0.498 213 A N 5.658 127.958 122.820 -0.866 0.000 2.795 213 A HA 0.505 4.825 4.320 0.001 0.000 0.282 213 A C -0.461 176.459 177.584 -1.105 0.000 0.964 213 A CA -0.510 50.953 52.037 -0.956 0.000 1.045 213 A CB 0.006 18.896 19.000 -0.184 0.000 1.174 213 A HN 0.727 nan 8.150 nan 0.000 0.493 214 L N 0.168 120.659 121.223 -1.219 0.000 2.365 214 L HA 0.605 4.945 4.340 0.001 0.000 0.273 214 L C -1.083 175.334 176.870 -0.755 0.000 1.000 214 L CA -0.599 53.833 54.840 -0.681 0.000 0.819 214 L CB 1.909 43.754 42.059 -0.357 0.000 1.284 214 L HN 0.422 nan 8.230 nan 0.000 0.418 215 W N 2.271 123.609 121.300 0.062 0.000 2.591 215 W HA 0.228 4.889 4.660 0.001 0.000 0.311 215 W C -1.063 175.687 176.519 0.385 0.000 1.003 215 W CA -1.091 56.409 57.345 0.259 0.000 1.332 215 W CB 1.291 30.943 29.460 0.320 0.000 1.272 215 W HN 0.501 nan 8.180 nan 0.000 0.412 216 W N 2.505 124.012 121.300 0.345 0.000 2.158 216 W HA 0.184 4.845 4.660 0.001 0.000 0.339 216 W C 1.372 177.713 176.519 -0.297 0.000 1.294 216 W CA 0.414 57.824 57.345 0.108 0.000 1.231 216 W CB 0.780 30.280 29.460 0.066 0.000 1.143 216 W HN 0.179 nan 8.180 nan 0.000 0.571 217 S N 2.531 117.959 115.700 -0.453 0.000 2.600 217 S HA 0.169 4.640 4.470 0.001 0.000 0.265 217 S C -1.765 172.551 174.600 -0.473 0.000 1.325 217 S CA -1.019 56.305 58.200 -1.460 0.000 1.002 217 S CB 0.928 63.350 63.200 -1.297 0.000 0.921 217 S HN 0.292 nan 8.310 nan 0.000 0.554 218 P HA -0.178 nan 4.420 nan 0.000 0.218 218 P C 0.833 178.092 177.300 -0.068 0.000 1.154 218 P CA 1.775 64.832 63.100 -0.071 0.000 0.872 218 P CB -0.208 31.501 31.700 0.015 0.000 0.790 219 N N -2.401 116.242 118.700 -0.095 0.000 2.230 219 N HA 0.153 4.894 4.740 0.001 0.000 0.202 219 N C 1.079 176.503 175.510 -0.144 0.000 1.119 219 N CA 0.459 53.452 53.050 -0.096 0.000 0.851 219 N CB -0.550 37.897 38.487 -0.067 0.000 0.990 219 N HN 0.188 nan 8.380 nan 0.000 0.497 220 G N -1.001 107.715 108.800 -0.140 0.000 2.176 220 G HA2 -0.343 3.618 3.960 0.001 0.000 0.253 220 G HA3 -0.343 3.618 3.960 0.001 0.000 0.253 220 G C 1.009 175.929 174.900 0.033 0.000 0.979 220 G CA 0.703 45.713 45.100 -0.150 0.000 0.641 220 G HN 0.363 nan 8.290 nan 0.000 0.530 221 T N 0.155 114.657 114.554 -0.087 0.000 2.674 221 T HA 0.183 4.534 4.350 0.001 0.000 0.265 221 T C 0.888 175.463 174.700 -0.208 0.000 1.039 221 T CA 1.437 63.393 62.100 -0.241 0.000 1.150 221 T CB -0.116 68.443 68.868 -0.514 0.000 0.864 221 T HN 0.297 nan 8.240 nan 0.000 0.427 222 F N 0.114 120.101 119.950 0.061 0.000 2.432 222 F HA 0.640 5.168 4.527 0.001 0.000 0.329 222 F C -0.209 175.675 175.800 0.140 0.000 1.076 222 F CA -1.586 56.490 58.000 0.126 0.000 1.018 222 F CB 1.108 40.255 39.000 0.244 0.000 1.201 222 F HN -0.099 nan 8.300 nan 0.000 0.489 223 L N 2.404 123.805 121.223 0.296 0.000 2.372 223 L HA 0.808 5.148 4.340 0.001 0.000 0.273 223 L C -0.733 176.244 176.870 0.177 0.000 0.989 223 L CA -0.411 54.432 54.840 0.005 0.000 0.841 223 L CB 0.877 42.658 42.059 -0.464 0.000 1.225 223 L HN 0.675 nan 8.230 nan 0.000 0.414 224 A N 4.455 127.453 122.820 0.298 0.000 2.295 224 A HA 0.817 5.138 4.320 0.001 0.000 0.318 224 A C -1.400 176.278 177.584 0.156 0.000 1.134 224 A CA -0.225 51.850 52.037 0.063 0.000 0.827 224 A CB 0.675 19.739 19.000 0.106 0.000 1.136 224 A HN 0.925 nan 8.150 nan 0.000 0.493 225 Y N -2.046 118.079 120.300 -0.293 0.000 2.624 225 Y HA 0.743 5.294 4.550 0.001 0.000 0.334 225 Y C -0.405 175.403 175.900 -0.153 0.000 1.155 225 Y CA -0.895 57.143 58.100 -0.104 0.000 1.046 225 Y CB 0.809 39.161 38.460 -0.180 0.000 1.316 225 Y HN 0.952 nan 8.280 nan 0.000 0.457 226 A N 2.135 125.064 122.820 0.182 0.000 2.320 226 A HA 0.709 5.030 4.320 0.001 0.000 0.334 226 A C -1.228 176.274 177.584 -0.136 0.000 1.147 226 A CA -0.866 51.135 52.037 -0.061 0.000 0.820 226 A CB 1.799 20.709 19.000 -0.151 0.000 1.218 226 A HN 0.822 nan 8.150 nan 0.000 0.482 227 Q N 1.085 120.732 119.800 -0.255 0.000 2.310 227 Q HA 0.599 4.940 4.340 0.001 0.000 0.270 227 Q C -2.047 173.776 176.000 -0.296 0.000 1.025 227 Q CA -0.348 55.410 55.803 -0.075 0.000 0.772 227 Q CB 1.017 29.911 28.738 0.260 0.000 1.253 227 Q HN 0.595 nan 8.270 nan 0.000 0.450 228 F N 2.202 122.262 119.950 0.183 0.000 2.450 228 F HA 0.444 4.971 4.527 0.001 0.000 0.332 228 F C 0.457 176.408 175.800 0.252 0.000 1.093 228 F CA -0.889 57.194 58.000 0.138 0.000 1.003 228 F CB 1.397 40.386 39.000 -0.018 0.000 1.151 228 F HN 0.444 nan 8.300 nan 0.000 0.474 229 N N 1.648 120.576 118.700 0.381 0.000 2.483 229 N HA 0.224 4.964 4.740 0.001 0.000 0.267 229 N C -0.960 174.727 175.510 0.294 0.000 0.998 229 N CA -0.342 52.894 53.050 0.310 0.000 0.918 229 N CB 1.124 39.739 38.487 0.212 0.000 1.215 229 N HN 0.556 nan 8.380 nan 0.000 0.500 230 D N 1.260 121.858 120.400 0.330 0.000 2.368 230 D HA 0.115 4.756 4.640 0.001 0.000 0.218 230 D C 1.262 177.684 176.300 0.203 0.000 1.112 230 D CA 0.169 54.335 54.000 0.276 0.000 0.834 230 D CB 0.549 41.562 40.800 0.356 0.000 0.953 230 D HN 0.478 nan 8.370 nan 0.000 0.505 231 T N 0.602 115.260 114.554 0.174 0.000 2.635 231 T HA -0.263 4.088 4.350 0.001 0.000 0.265 231 T C 1.306 176.067 174.700 0.103 0.000 1.058 231 T CA 1.495 63.670 62.100 0.124 0.000 1.162 231 T CB -0.129 68.801 68.868 0.103 0.000 0.859 231 T HN 0.327 nan 8.240 nan 0.000 0.449 232 E N 0.200 120.460 120.200 0.101 0.000 2.465 232 E HA 0.200 4.551 4.350 0.001 0.000 0.195 232 E C -0.485 176.166 176.600 0.085 0.000 1.028 232 E CA -0.281 56.167 56.400 0.080 0.000 0.899 232 E CB 0.571 30.311 29.700 0.066 0.000 1.032 232 E HN 0.202 nan 8.360 nan 0.000 0.468 233 V N 3.367 123.346 119.914 0.107 0.000 2.508 233 V HA 0.104 4.225 4.120 0.001 0.000 0.281 233 V C -1.979 174.171 176.094 0.094 0.000 1.041 233 V CA -1.559 60.805 62.300 0.108 0.000 1.016 233 V CB 0.518 32.423 31.823 0.136 0.000 0.984 233 V HN 0.056 nan 8.190 nan 0.000 0.478 234 P HA 0.240 nan 4.420 nan 0.000 0.270 234 P C -0.828 176.508 177.300 0.061 0.000 1.223 234 P CA -0.219 62.917 63.100 0.060 0.000 0.785 234 P CB 0.491 32.224 31.700 0.054 0.000 0.923 235 L N 2.053 123.290 121.223 0.024 0.000 2.307 235 L HA 0.443 4.784 4.340 0.001 0.000 0.284 235 L C 0.276 177.098 176.870 -0.080 0.000 1.023 235 L CA -0.931 53.907 54.840 -0.003 0.000 0.810 235 L CB 1.142 43.196 42.059 -0.007 0.000 1.231 235 L HN 0.292 nan 8.230 nan 0.000 0.423 236 I N 2.716 123.191 120.570 -0.158 0.000 2.474 236 I HA 0.228 4.399 4.170 0.001 0.000 0.287 236 I C -0.292 175.685 176.117 -0.233 0.000 1.048 236 I CA 0.379 61.480 61.300 -0.332 0.000 1.383 236 I CB 0.708 38.234 38.000 -0.790 0.000 1.412 236 I HN 0.584 nan 8.210 nan 0.000 0.531 237 E N 7.183 127.266 120.200 -0.196 0.000 2.248 237 E HA 0.510 4.860 4.350 0.001 0.000 0.267 237 E C -1.805 174.752 176.600 -0.072 0.000 0.877 237 E CA -0.604 55.691 56.400 -0.175 0.000 0.759 237 E CB 2.094 31.712 29.700 -0.137 0.000 1.182 237 E HN 0.570 nan 8.360 nan 0.000 0.418 238 Y N -1.792 118.429 120.300 -0.133 0.000 2.609 238 Y HA 0.529 5.080 4.550 0.001 0.000 0.336 238 Y C -0.753 175.090 175.900 -0.095 0.000 1.129 238 Y CA -1.237 56.795 58.100 -0.113 0.000 1.040 238 Y CB 0.836 39.239 38.460 -0.095 0.000 1.310 238 Y HN 0.209 nan 8.280 nan 0.000 0.460 239 S N 2.058 117.763 115.700 0.009 0.000 2.580 239 S HA 0.483 4.954 4.470 0.001 0.000 0.274 239 S C -1.366 173.099 174.600 -0.225 0.000 1.329 239 S CA -0.348 57.713 58.200 -0.233 0.000 1.036 239 S CB 0.476 63.398 63.200 -0.464 0.000 0.919 239 S HN 0.538 nan 8.310 nan 0.000 0.515 240 F N 2.019 121.706 119.950 -0.438 0.000 2.507 240 F HA 0.440 4.968 4.527 0.001 0.000 0.328 240 F C -0.294 175.257 175.800 -0.414 0.000 1.136 240 F CA -0.894 56.952 58.000 -0.258 0.000 0.930 240 F CB 0.873 39.833 39.000 -0.066 0.000 1.166 240 F HN 0.644 nan 8.300 nan 0.000 0.436 241 Y N 2.711 122.766 120.300 -0.407 0.000 2.397 241 Y HA 0.132 4.682 4.550 0.001 0.000 0.292 241 Y C 1.696 177.531 175.900 -0.109 0.000 1.115 241 Y CA 1.144 59.125 58.100 -0.199 0.000 1.208 241 Y CB -0.491 37.846 38.460 -0.206 0.000 1.046 241 Y HN 0.740 nan 8.280 nan 0.000 0.552 242 S N -0.283 115.349 115.700 -0.114 0.000 3.513 242 S HA -0.216 4.255 4.470 0.001 0.000 0.636 242 S C -0.555 174.107 174.600 0.104 0.000 2.452 242 S CA 0.226 58.522 58.200 0.159 0.000 2.644 242 S CB -1.155 62.223 63.200 0.298 0.000 0.331 242 S HN 0.451 nan 8.310 nan 0.000 1.787 243 D N 1.509 121.984 120.400 0.124 0.000 2.378 243 D HA 0.144 4.785 4.640 0.001 0.000 0.238 243 D C 1.394 177.733 176.300 0.066 0.000 1.180 243 D CA 0.372 54.422 54.000 0.083 0.000 0.895 243 D CB 0.173 41.020 40.800 0.079 0.000 1.192 243 D HN 0.642 nan 8.370 nan 0.000 0.438 244 E N 0.418 120.645 120.200 0.044 0.000 2.219 244 E HA -0.223 4.128 4.350 0.001 0.000 0.198 244 E C 1.552 178.171 176.600 0.031 0.000 0.998 244 E CA 1.288 57.706 56.400 0.029 0.000 0.818 244 E CB 0.143 29.852 29.700 0.016 0.000 0.741 244 E HN 0.442 nan 8.360 nan 0.000 0.477 245 S N 0.239 115.962 115.700 0.038 0.000 2.447 245 S HA -0.141 4.329 4.470 0.001 0.000 0.233 245 S C 0.947 175.575 174.600 0.047 0.000 1.006 245 S CA 0.043 58.265 58.200 0.037 0.000 0.957 245 S CB -0.211 63.012 63.200 0.039 0.000 0.773 245 S HN 0.238 nan 8.310 nan 0.000 0.507 246 L N 2.638 123.899 121.223 0.062 0.000 2.456 246 L HA 0.285 4.626 4.340 0.001 0.000 0.277 246 L C 1.406 178.315 176.870 0.064 0.000 1.124 246 L CA 0.124 55.011 54.840 0.079 0.000 0.880 246 L CB 0.407 42.528 42.059 0.102 0.000 1.192 246 L HN 0.287 nan 8.230 nan 0.000 0.463 247 Q N 3.969 123.810 119.800 0.068 0.000 2.079 247 Q HA -0.103 4.238 4.340 0.001 0.000 0.200 247 Q C -0.507 175.423 176.000 -0.116 0.000 0.974 247 Q CA 1.423 57.218 55.803 -0.013 0.000 0.840 247 Q CB 0.120 28.872 28.738 0.024 0.000 0.898 247 Q HN 0.688 nan 8.270 nan 0.000 0.430 248 Y N 0.486 120.798 120.300 0.020 0.000 2.335 248 Y HA 0.383 4.934 4.550 0.001 0.000 0.338 248 Y C -2.053 173.849 175.900 0.003 0.000 0.977 248 Y CA -2.941 55.165 58.100 0.011 0.000 1.114 248 Y CB 1.419 39.878 38.460 -0.003 0.000 1.182 248 Y HN 0.139 nan 8.280 nan 0.000 0.463 249 P HA 0.003 nan 4.420 nan 0.000 0.267 249 P C -0.779 176.512 177.300 -0.015 0.000 1.200 249 P CA -0.393 62.695 63.100 -0.021 0.000 0.772 249 P CB 0.677 32.290 31.700 -0.145 0.000 0.855 250 K N 1.283 121.661 120.400 -0.036 0.000 2.118 250 K HA 0.355 4.676 4.320 0.001 0.000 0.267 250 K C -0.756 175.794 176.600 -0.084 0.000 0.991 250 K CA -0.364 55.911 56.287 -0.020 0.000 0.916 250 K CB 0.584 33.106 32.500 0.036 0.000 1.041 250 K HN 0.301 nan 8.250 nan 0.000 0.455 251 T N 3.134 117.627 114.554 -0.102 0.000 2.753 251 T HA 0.217 4.567 4.350 0.001 0.000 0.297 251 T C -0.577 173.998 174.700 -0.209 0.000 0.981 251 T CA -0.609 61.398 62.100 -0.156 0.000 0.956 251 T CB 0.949 69.741 68.868 -0.126 0.000 0.936 251 T HN 0.319 nan 8.240 nan 0.000 0.463 252 V N 5.642 125.337 119.914 -0.365 0.000 2.583 252 V HA 0.385 4.506 4.120 0.001 0.000 0.287 252 V C 0.499 176.334 176.094 -0.431 0.000 1.051 252 V CA -0.386 61.644 62.300 -0.451 0.000 1.010 252 V CB 0.691 32.035 31.823 -0.798 0.000 0.988 252 V HN 0.708 nan 8.190 nan 0.000 0.478 253 R N 3.647 124.019 120.500 -0.213 0.000 2.451 253 R HA 0.689 5.030 4.340 0.001 0.000 0.307 253 R C -1.701 174.590 176.300 -0.016 0.000 0.965 253 R CA -0.587 55.435 56.100 -0.129 0.000 0.865 253 R CB 2.124 32.377 30.300 -0.078 0.000 1.174 253 R HN 0.494 nan 8.270 nan 0.000 0.455 254 V N 4.213 124.118 119.914 -0.016 0.000 2.483 254 V HA 0.312 4.433 4.120 0.001 0.000 0.297 254 V C -2.354 173.789 176.094 0.082 0.000 1.027 254 V CA -2.475 59.876 62.300 0.085 0.000 0.855 254 V CB 2.168 34.001 31.823 0.016 0.000 0.995 254 V HN 0.597 nan 8.190 nan 0.000 0.424 255 P HA 0.142 nan 4.420 nan 0.000 0.265 255 P C -1.333 176.069 177.300 0.171 0.000 1.222 255 P CA 0.349 63.551 63.100 0.171 0.000 0.767 255 P CB -0.143 31.700 31.700 0.239 0.000 0.801 256 Y N 6.419 126.690 120.300 -0.049 0.000 2.307 256 Y HA 0.374 4.924 4.550 0.001 0.000 0.323 256 Y C -2.803 173.061 175.900 -0.061 0.000 1.100 256 Y CA -2.924 55.097 58.100 -0.132 0.000 1.140 256 Y CB 1.770 40.016 38.460 -0.357 0.000 1.159 256 Y HN 0.277 nan 8.280 nan 0.000 0.436 257 P HA 0.264 nan 4.420 nan 0.000 0.286 257 P C -0.879 176.475 177.300 0.089 0.000 1.321 257 P CA -0.198 62.946 63.100 0.074 0.000 0.790 257 P CB 1.361 33.085 31.700 0.040 0.000 0.897 258 K N 2.069 122.599 120.400 0.216 0.000 2.118 258 K HA 0.488 4.808 4.320 0.001 0.000 0.240 258 K C 0.610 177.310 176.600 0.166 0.000 1.035 258 K CA -0.684 55.746 56.287 0.239 0.000 0.899 258 K CB 0.465 33.117 32.500 0.253 0.000 1.085 258 K HN 0.450 nan 8.250 nan 0.000 0.498 259 A N 0.705 123.649 122.820 0.207 0.000 2.580 259 A HA 0.264 4.585 4.320 0.001 0.000 0.244 259 A C 1.212 178.841 177.584 0.075 0.000 1.045 259 A CA 1.031 53.181 52.037 0.187 0.000 0.761 259 A CB -1.234 17.960 19.000 0.323 0.000 0.962 259 A HN 0.897 nan 8.150 nan 0.000 0.512 260 G N 1.017 109.852 108.800 0.059 0.000 2.234 260 G HA2 0.081 4.041 3.960 0.001 0.000 0.260 260 G HA3 0.081 4.041 3.960 0.001 0.000 0.260 260 G C 0.743 175.660 174.900 0.027 0.000 0.987 260 G CA 0.844 45.952 45.100 0.013 0.000 0.625 260 G HN 2.203 nan 8.290 nan 0.000 0.532 261 A N -0.309 122.543 122.820 0.053 0.000 2.267 261 A HA 0.707 5.028 4.320 0.001 0.000 0.271 261 A C 0.889 178.505 177.584 0.053 0.000 1.131 261 A CA 0.386 52.456 52.037 0.055 0.000 0.818 261 A CB 0.541 19.587 19.000 0.078 0.000 1.118 261 A HN 1.159 nan 8.150 nan 0.000 0.501 262 V N 2.355 122.301 119.914 0.053 0.000 2.529 262 V HA 0.037 4.158 4.120 0.001 0.000 0.292 262 V C 0.291 176.428 176.094 0.071 0.000 1.028 262 V CA -0.076 62.256 62.300 0.053 0.000 1.074 262 V CB -0.113 31.742 31.823 0.054 0.000 0.958 262 V HN 0.789 nan 8.190 nan 0.000 0.481 263 N N 6.396 125.135 118.700 0.066 0.000 2.495 263 N HA 0.482 5.223 4.740 0.001 0.000 0.280 263 N C -2.350 173.238 175.510 0.130 0.000 1.168 263 N CA -1.481 51.629 53.050 0.100 0.000 0.978 263 N CB 1.197 39.731 38.487 0.079 0.000 1.191 263 N HN 0.398 nan 8.380 nan 0.000 0.497 264 P HA 0.122 nan 4.420 nan 0.000 0.274 264 P C -0.491 176.964 177.300 0.257 0.000 1.237 264 P CA -0.181 63.071 63.100 0.252 0.000 0.793 264 P CB 0.493 32.389 31.700 0.326 0.000 0.977 265 T N -1.859 112.829 114.554 0.224 0.000 2.952 265 T HA 0.615 4.966 4.350 0.001 0.000 0.286 265 T C -0.294 174.534 174.700 0.213 0.000 1.024 265 T CA -0.850 61.340 62.100 0.150 0.000 1.029 265 T CB 1.490 70.412 68.868 0.091 0.000 1.094 265 T HN 0.372 nan 8.240 nan 0.000 0.515 266 V N 0.189 120.194 119.914 0.152 0.000 2.971 266 V HA 0.756 4.877 4.120 0.001 0.000 0.309 266 V C -1.699 174.464 176.094 0.115 0.000 1.130 266 V CA -0.851 61.497 62.300 0.079 0.000 0.964 266 V CB 2.128 34.017 31.823 0.109 0.000 1.029 266 V HN 1.071 nan 8.190 nan 0.000 0.427 267 K N 4.315 124.716 120.400 0.001 0.000 2.435 267 K HA 0.596 4.917 4.320 0.001 0.000 0.251 267 K C -1.956 174.547 176.600 -0.162 0.000 0.954 267 K CA -0.514 55.736 56.287 -0.061 0.000 0.820 267 K CB 2.819 35.228 32.500 -0.152 0.000 1.292 267 K HN 0.559 nan 8.250 nan 0.000 0.436 268 F N 2.201 121.861 119.950 -0.483 0.000 2.507 268 F HA 0.571 5.099 4.527 0.001 0.000 0.325 268 F C -1.493 173.822 175.800 -0.810 0.000 1.116 268 F CA -0.712 56.988 58.000 -0.499 0.000 0.930 268 F CB 0.834 39.650 39.000 -0.307 0.000 1.146 268 F HN 0.382 nan 8.300 nan 0.000 0.447 269 F N 3.963 123.162 119.950 -1.252 0.000 2.603 269 F HA 0.771 5.299 4.527 0.001 0.000 0.317 269 F C -0.969 174.160 175.800 -1.118 0.000 1.066 269 F CA -1.236 56.140 58.000 -1.040 0.000 0.941 269 F CB 2.045 40.385 39.000 -1.099 0.000 1.291 269 F HN 0.129 nan 8.300 nan 0.000 0.472 270 V N 2.320 122.004 119.914 -0.383 0.000 2.638 270 V HA 0.673 4.794 4.120 0.001 0.000 0.306 270 V C -1.229 174.926 176.094 0.103 0.000 1.052 270 V CA -0.839 61.307 62.300 -0.256 0.000 0.885 270 V CB 2.063 33.524 31.823 -0.603 0.000 0.999 270 V HN 0.625 nan 8.190 nan 0.000 0.424 271 V N 4.093 124.148 119.914 0.234 0.000 2.735 271 V HA 0.592 4.713 4.120 0.001 0.000 0.310 271 V C -0.542 175.788 176.094 0.395 0.000 1.061 271 V CA -0.614 61.862 62.300 0.293 0.000 0.913 271 V CB 2.197 34.138 31.823 0.197 0.000 1.005 271 V HN 0.927 nan 8.190 nan 0.000 0.428 272 N N 3.476 122.396 118.700 0.366 0.000 2.401 272 N HA 0.142 4.882 4.740 0.001 0.000 0.255 272 N C 1.006 176.539 175.510 0.039 0.000 1.110 272 N CA 0.618 53.794 53.050 0.210 0.000 0.949 272 N CB 1.689 40.260 38.487 0.141 0.000 1.110 272 N HN 0.927 nan 8.380 nan 0.000 0.490 273 T N -0.445 114.113 114.554 0.008 0.000 3.113 273 T HA 0.062 4.412 4.350 0.001 0.000 0.256 273 T C 0.640 175.296 174.700 -0.073 0.000 1.131 273 T CA 0.404 62.497 62.100 -0.011 0.000 1.074 273 T CB 0.175 69.129 68.868 0.142 0.000 0.944 273 T HN 0.239 nan 8.240 nan 0.000 0.516 274 D N 2.079 122.413 120.400 -0.109 0.000 2.347 274 D HA 0.050 4.691 4.640 0.001 0.000 0.213 274 D C 1.248 177.492 176.300 -0.094 0.000 0.985 274 D CA 0.670 54.606 54.000 -0.106 0.000 0.879 274 D CB 0.164 40.880 40.800 -0.141 0.000 0.919 274 D HN 0.639 nan 8.370 nan 0.000 0.526 275 S N -0.181 115.464 115.700 -0.092 0.000 2.581 275 S HA 0.305 4.775 4.470 0.001 0.000 0.245 275 S C 0.406 174.946 174.600 -0.101 0.000 1.115 275 S CA -0.586 57.576 58.200 -0.064 0.000 1.093 275 S CB -0.144 63.049 63.200 -0.011 0.000 0.853 275 S HN -0.017 nan 8.310 nan 0.000 0.479 276 L N 1.894 122.975 121.223 -0.237 0.000 2.395 276 L HA 0.576 4.917 4.340 0.001 0.000 0.269 276 L C 0.524 177.241 176.870 -0.255 0.000 1.133 276 L CA -0.288 54.316 54.840 -0.393 0.000 0.812 276 L CB 1.333 42.799 42.059 -0.989 0.000 1.125 276 L HN 0.355 nan 8.230 nan 0.000 0.452 277 S N -0.414 115.268 115.700 -0.029 0.000 2.521 277 S HA 0.293 4.764 4.470 0.001 0.000 0.295 277 S C 0.611 175.426 174.600 0.359 0.000 1.098 277 S CA -0.499 57.803 58.200 0.170 0.000 0.999 277 S CB 1.696 64.960 63.200 0.107 0.000 1.034 277 S HN 0.653 nan 8.310 nan 0.000 0.483 278 S N 3.078 118.991 115.700 0.355 0.000 2.603 278 S HA 0.054 4.524 4.470 0.001 0.000 0.220 278 S C 1.036 175.722 174.600 0.144 0.000 0.967 278 S CA 0.374 58.708 58.200 0.223 0.000 0.920 278 S CB -0.121 63.144 63.200 0.108 0.000 0.773 278 S HN 0.570 nan 8.310 nan 0.000 0.529 279 V N 0.237 120.231 119.914 0.134 0.000 3.570 279 V HA 0.221 4.342 4.120 0.001 0.000 0.257 279 V C 0.665 176.810 176.094 0.084 0.000 1.272 279 V CA 0.547 62.901 62.300 0.091 0.000 1.079 279 V CB 0.143 32.007 31.823 0.069 0.000 0.829 279 V HN 0.408 nan 8.190 nan 0.000 0.454 280 T N 0.918 115.534 114.554 0.102 0.000 2.887 280 T HA 0.410 4.760 4.350 0.001 0.000 0.288 280 T C -0.379 174.390 174.700 0.116 0.000 1.021 280 T CA -0.451 61.699 62.100 0.082 0.000 1.000 280 T CB 1.577 70.483 68.868 0.063 0.000 1.034 280 T HN 0.073 nan 8.240 nan 0.000 0.467 281 N N 1.614 120.370 118.700 0.093 0.000 2.518 281 N HA 0.410 5.150 4.740 0.001 0.000 0.266 281 N C 0.128 175.712 175.510 0.123 0.000 1.196 281 N CA -0.212 52.928 53.050 0.149 0.000 0.947 281 N CB 0.865 39.405 38.487 0.089 0.000 1.098 281 N HN 0.825 nan 8.380 nan 0.000 0.450 282 A N 1.595 124.498 122.820 0.137 0.000 2.483 282 A HA 0.220 4.541 4.320 0.001 0.000 0.238 282 A C 0.203 177.835 177.584 0.080 0.000 1.070 282 A CA 0.252 52.336 52.037 0.078 0.000 0.770 282 A CB 0.010 19.032 19.000 0.036 0.000 1.008 282 A HN 0.547 nan 8.150 nan 0.000 0.497 283 T N 2.429 117.033 114.554 0.083 0.000 2.758 283 T HA 0.460 4.810 4.350 0.001 0.000 0.285 283 T C -0.060 174.716 174.700 0.127 0.000 0.981 283 T CA -0.098 62.061 62.100 0.097 0.000 0.965 283 T CB 0.899 69.830 68.868 0.105 0.000 0.927 283 T HN 0.546 nan 8.240 nan 0.000 0.448 284 S N 3.567 119.336 115.700 0.114 0.000 2.462 284 S HA 0.486 4.957 4.470 0.001 0.000 0.294 284 S C 0.037 174.774 174.600 0.228 0.000 1.144 284 S CA -0.808 57.481 58.200 0.149 0.000 1.088 284 S CB 0.432 63.653 63.200 0.034 0.000 1.009 284 S HN 0.482 nan 8.310 nan 0.000 0.484 285 I N 3.373 124.099 120.570 0.259 0.000 2.325 285 I HA 0.270 4.440 4.170 0.001 0.000 0.291 285 I C 0.560 176.798 176.117 0.201 0.000 1.019 285 I CA -0.269 61.195 61.300 0.273 0.000 1.302 285 I CB 0.890 39.125 38.000 0.390 0.000 1.401 285 I HN 0.684 nan 8.210 nan 0.000 0.485 286 Q N 6.360 126.257 119.800 0.162 0.000 2.259 286 Q HA 0.522 4.863 4.340 0.001 0.000 0.246 286 Q C -1.147 174.800 176.000 -0.087 0.000 0.920 286 Q CA -0.396 55.319 55.803 -0.145 0.000 0.895 286 Q CB 1.463 30.052 28.738 -0.248 0.000 1.220 286 Q HN 0.583 nan 8.270 nan 0.000 0.439 287 I N 3.916 124.413 120.570 -0.122 0.000 2.437 287 I HA 0.195 4.366 4.170 0.001 0.000 0.279 287 I C -0.012 176.111 176.117 0.011 0.000 1.028 287 I CA -0.773 60.534 61.300 0.012 0.000 1.142 287 I CB 1.531 39.587 38.000 0.094 0.000 1.266 287 I HN 0.721 nan 8.210 nan 0.000 0.461 288 T N 2.730 117.244 114.554 -0.067 0.000 2.898 288 T HA 0.577 4.928 4.350 0.001 0.000 0.301 288 T C 0.478 174.998 174.700 -0.299 0.000 1.049 288 T CA -0.737 61.265 62.100 -0.164 0.000 1.095 288 T CB 1.546 70.315 68.868 -0.164 0.000 0.976 288 T HN 0.558 nan 8.240 nan 0.000 0.539 289 A N 3.566 125.958 122.820 -0.714 0.000 2.346 289 A HA 0.592 4.912 4.320 0.001 0.000 0.252 289 A C -1.794 175.310 177.584 -0.800 0.000 1.089 289 A CA -1.645 49.534 52.037 -1.429 0.000 0.797 289 A CB -0.598 16.966 19.000 -2.394 0.000 1.047 289 A HN 0.830 nan 8.150 nan 0.000 0.494 290 P HA 0.151 nan 4.420 nan 0.000 0.272 290 P C 0.691 177.782 177.300 -0.348 0.000 1.230 290 P CA 0.549 63.427 63.100 -0.370 0.000 0.788 290 P CB 0.855 32.415 31.700 -0.234 0.000 0.949 291 A N 2.632 125.317 122.820 -0.225 0.000 1.948 291 A HA -0.202 4.119 4.320 0.001 0.000 0.220 291 A C 2.194 179.671 177.584 -0.179 0.000 1.177 291 A CA 2.431 54.355 52.037 -0.188 0.000 0.636 291 A CB -1.780 17.144 19.000 -0.126 0.000 0.815 291 A HN 0.682 nan 8.150 nan 0.000 0.449 292 S N -2.205 113.411 115.700 -0.140 0.000 2.507 292 S HA -0.042 4.428 4.470 0.001 0.000 0.235 292 S C 1.562 176.081 174.600 -0.136 0.000 0.988 292 S CA 1.611 59.744 58.200 -0.111 0.000 0.944 292 S CB -0.175 63.018 63.200 -0.011 0.000 0.762 292 S HN 0.354 nan 8.310 nan 0.000 0.526 293 M N 0.975 120.432 119.600 -0.238 0.000 2.691 293 M HA 0.489 4.970 4.480 0.001 0.000 0.261 293 M C 1.571 177.576 176.300 -0.491 0.000 1.227 293 M CA 0.804 55.891 55.300 -0.355 0.000 1.197 293 M CB -0.548 31.714 32.600 -0.562 0.000 1.294 293 M HN 0.239 nan 8.290 nan 0.000 0.508 294 L N 0.730 121.661 121.223 -0.486 0.000 2.549 294 L HA -0.120 4.220 4.340 0.001 0.000 0.229 294 L C 1.995 178.777 176.870 -0.147 0.000 1.158 294 L CA 0.546 55.184 54.840 -0.337 0.000 0.842 294 L CB -0.906 40.983 42.059 -0.283 0.000 0.952 294 L HN 0.400 nan 8.230 nan 0.000 0.452 295 I N -2.896 117.593 120.570 -0.135 0.000 2.394 295 I HA 0.059 4.229 4.170 0.001 0.000 0.251 295 I C 1.211 177.303 176.117 -0.042 0.000 1.136 295 I CA 0.933 62.183 61.300 -0.083 0.000 1.425 295 I CB -0.466 37.478 38.000 -0.094 0.000 1.079 295 I HN 0.080 nan 8.210 nan 0.000 0.425 296 G N 0.030 108.822 108.800 -0.013 0.000 3.021 296 G HA2 0.318 4.279 3.960 0.001 0.000 0.290 296 G HA3 0.318 4.279 3.960 0.001 0.000 0.290 296 G C -1.717 173.241 174.900 0.097 0.000 1.291 296 G CA -0.499 44.613 45.100 0.019 0.000 0.834 296 G HN 0.030 nan 8.290 nan 0.000 0.564 297 D N 1.084 121.494 120.400 0.016 0.000 2.414 297 D HA 0.427 5.068 4.640 0.001 0.000 0.242 297 D C 0.275 176.532 176.300 -0.072 0.000 1.129 297 D CA 0.589 54.544 54.000 -0.075 0.000 0.885 297 D CB 0.601 41.311 40.800 -0.150 0.000 1.198 297 D HN 0.528 nan 8.370 nan 0.000 0.437 298 H N -0.882 118.054 119.070 -0.223 0.000 2.933 298 H HA 0.456 5.013 4.556 0.001 0.000 0.310 298 H C -1.356 173.853 175.328 -0.199 0.000 1.351 298 H CA -0.776 55.151 56.048 -0.202 0.000 1.137 298 H CB 0.364 30.136 29.762 0.016 0.000 1.853 298 H HN 0.307 nan 8.280 nan 0.000 0.539 299 Y N -0.204 120.316 120.300 0.367 0.000 2.581 299 Y HA 0.434 4.985 4.550 0.001 0.000 0.345 299 Y C -0.528 175.648 175.900 0.461 0.000 1.036 299 Y CA -1.169 57.156 58.100 0.376 0.000 1.042 299 Y CB 1.927 40.462 38.460 0.125 0.000 1.289 299 Y HN 0.486 nan 8.280 nan 0.000 0.471 300 L N 2.524 124.087 121.223 0.566 0.000 2.264 300 L HA 0.481 4.821 4.340 0.001 0.000 0.289 300 L C 0.235 177.150 176.870 0.075 0.000 1.044 300 L CA -0.414 54.424 54.840 -0.003 0.000 0.807 300 L CB 0.620 42.599 42.059 -0.132 0.000 1.192 300 L HN 0.966 nan 8.230 nan 0.000 0.425 301 C N 1.118 120.330 119.300 -0.147 0.000 3.392 301 C HA 0.536 4.997 4.460 0.001 0.000 0.301 301 C C 0.171 175.043 174.990 -0.197 0.000 1.354 301 C CA -0.419 58.455 59.018 -0.240 0.000 1.732 301 C CB -0.682 26.967 27.740 -0.151 0.000 2.269 301 C HN 0.848 nan 8.230 nan 0.000 0.673 302 D N 0.038 120.329 120.400 -0.182 0.000 2.706 302 D HA 0.462 5.102 4.640 0.001 0.000 0.225 302 D C -1.935 174.087 176.300 -0.464 0.000 1.241 302 D CA 0.098 54.001 54.000 -0.161 0.000 0.784 302 D CB 2.789 43.474 40.800 -0.190 0.000 1.521 302 D HN 0.035 nan 8.370 nan 0.000 0.461 303 V N 2.133 121.710 119.914 -0.562 0.000 2.612 303 V HA 0.521 4.641 4.120 0.001 0.000 0.301 303 V C -0.637 175.085 176.094 -0.621 0.000 1.059 303 V CA -0.418 61.313 62.300 -0.949 0.000 0.886 303 V CB 1.993 32.697 31.823 -1.866 0.000 1.007 303 V HN 0.652 nan 8.190 nan 0.000 0.426 304 T N 3.492 117.761 114.554 -0.476 0.000 3.031 304 T HA 0.339 4.690 4.350 0.001 0.000 0.305 304 T C -0.853 173.722 174.700 -0.208 0.000 0.985 304 T CA -0.463 61.522 62.100 -0.193 0.000 1.008 304 T CB 0.767 69.602 68.868 -0.056 0.000 1.005 304 T HN 0.511 nan 8.240 nan 0.000 0.444 305 W N 2.084 123.334 121.300 -0.084 0.000 2.210 305 W HA 0.461 5.121 4.660 0.001 0.000 0.330 305 W C 1.167 177.565 176.519 -0.201 0.000 1.334 305 W CA -0.236 57.049 57.345 -0.101 0.000 1.227 305 W CB 0.564 30.049 29.460 0.041 0.000 1.178 305 W HN 0.835 nan 8.180 nan 0.000 0.560 306 A N 1.944 124.661 122.820 -0.171 0.000 1.963 306 A HA 0.226 4.547 4.320 0.001 0.000 0.207 306 A C 0.807 178.366 177.584 -0.043 0.000 1.243 306 A CA 1.467 53.196 52.037 -0.514 0.000 0.728 306 A CB -0.271 18.007 19.000 -1.203 0.000 0.895 306 A HN 0.535 nan 8.150 nan 0.000 0.467 307 T N -5.677 108.957 114.554 0.134 0.000 2.645 307 T HA 0.322 4.673 4.350 0.001 0.000 0.300 307 T C 0.046 174.927 174.700 0.302 0.000 1.210 307 T CA -0.394 61.821 62.100 0.192 0.000 1.034 307 T CB 0.622 69.585 68.868 0.158 0.000 1.537 307 T HN -0.063 nan 8.240 nan 0.000 0.492 308 Q N 0.357 120.293 119.800 0.228 0.000 2.291 308 Q HA -0.011 4.330 4.340 0.001 0.000 0.206 308 Q C 0.831 177.102 176.000 0.451 0.000 0.976 308 Q CA 1.538 57.480 55.803 0.232 0.000 0.875 308 Q CB -0.141 28.689 28.738 0.155 0.000 0.927 308 Q HN 0.834 nan 8.270 nan 0.000 0.450 309 E N -0.274 120.199 120.200 0.455 0.000 2.810 309 E HA 0.191 4.542 4.350 0.001 0.000 0.214 309 E C -0.173 176.738 176.600 0.518 0.000 0.980 309 E CA -0.182 56.523 56.400 0.508 0.000 1.159 309 E CB 1.038 30.936 29.700 0.330 0.000 1.047 309 E HN -0.027 nan 8.360 nan 0.000 0.484 310 R N 1.677 122.477 120.500 0.501 0.000 2.532 310 R HA 0.568 4.909 4.340 0.001 0.000 0.297 310 R C -1.691 174.650 176.300 0.069 0.000 0.984 310 R CA -0.474 55.789 56.100 0.272 0.000 0.884 310 R CB 1.349 31.698 30.300 0.082 0.000 1.182 310 R HN 0.078 nan 8.270 nan 0.000 0.442 311 I N 2.948 123.387 120.570 -0.218 0.000 2.647 311 I HA 0.454 4.624 4.170 0.001 0.000 0.295 311 I C -1.057 174.746 176.117 -0.525 0.000 1.078 311 I CA -0.498 60.391 61.300 -0.684 0.000 1.048 311 I CB 2.337 39.466 38.000 -1.452 0.000 1.239 311 I HN 0.872 nan 8.210 nan 0.000 0.421 312 S N 7.393 122.767 115.700 -0.542 0.000 2.537 312 S HA 0.821 5.292 4.470 0.001 0.000 0.301 312 S C -1.013 173.256 174.600 -0.551 0.000 1.092 312 S CA -0.720 57.235 58.200 -0.407 0.000 1.048 312 S CB 1.768 64.831 63.200 -0.228 0.000 1.053 312 S HN 0.575 nan 8.310 nan 0.000 0.501 313 L N 1.454 122.369 121.223 -0.514 0.000 2.409 313 L HA 0.620 4.961 4.340 0.001 0.000 0.262 313 L C -0.591 175.964 176.870 -0.525 0.000 0.992 313 L CA -0.644 53.767 54.840 -0.714 0.000 0.817 313 L CB 2.321 43.839 42.059 -0.903 0.000 1.350 313 L HN 0.772 nan 8.230 nan 0.000 0.411 314 Q N 1.113 120.546 119.800 -0.611 0.000 2.356 314 Q HA 0.489 4.829 4.340 0.001 0.000 0.270 314 Q C -2.107 173.625 176.000 -0.447 0.000 1.058 314 Q CA -0.599 54.984 55.803 -0.367 0.000 0.802 314 Q CB 2.253 30.840 28.738 -0.251 0.000 1.303 314 Q HN 0.509 nan 8.270 nan 0.000 0.444 315 W N 3.165 124.417 121.300 -0.080 0.000 2.689 315 W HA 0.631 5.291 4.660 0.001 0.000 0.340 315 W C -1.069 175.481 176.519 0.052 0.000 1.060 315 W CA -0.702 56.649 57.345 0.011 0.000 1.218 315 W CB 1.349 30.801 29.460 -0.013 0.000 1.410 315 W HN 0.478 nan 8.180 nan 0.000 0.528 316 L N 2.549 124.003 121.223 0.385 0.000 2.410 316 L HA 0.585 4.926 4.340 0.001 0.000 0.270 316 L C -0.146 176.924 176.870 0.333 0.000 0.983 316 L CA -1.168 53.854 54.840 0.303 0.000 0.822 316 L CB 1.375 43.590 42.059 0.260 0.000 1.285 316 L HN 0.422 nan 8.230 nan 0.000 0.409 317 R N 2.439 123.097 120.500 0.265 0.000 2.679 317 R HA 0.242 4.582 4.340 0.001 0.000 0.269 317 R C 1.015 177.384 176.300 0.115 0.000 1.076 317 R CA -0.154 56.051 56.100 0.175 0.000 1.160 317 R CB 0.550 30.938 30.300 0.148 0.000 1.054 317 R HN 0.645 nan 8.270 nan 0.000 0.507 318 R N 1.370 121.851 120.500 -0.032 0.000 2.127 318 R HA -0.073 4.268 4.340 0.001 0.000 0.238 318 R C 0.375 176.726 176.300 0.085 0.000 1.134 318 R CA 1.107 57.166 56.100 -0.069 0.000 0.975 318 R CB 0.173 30.377 30.300 -0.160 0.000 0.865 318 R HN 0.407 nan 8.270 nan 0.000 0.447 319 I N 3.071 123.680 120.570 0.064 0.000 2.260 319 I HA -0.001 4.170 4.170 0.001 0.000 0.297 319 I C 0.146 176.324 176.117 0.101 0.000 1.143 319 I CA 0.397 61.737 61.300 0.068 0.000 1.271 319 I CB 0.752 38.778 38.000 0.043 0.000 1.461 319 I HN 0.276 nan 8.210 nan 0.000 0.530 320 Q N 4.479 124.341 119.800 0.104 0.000 2.185 320 Q HA -0.098 4.243 4.340 0.001 0.000 0.179 320 Q C 0.612 176.680 176.000 0.114 0.000 0.810 320 Q CA 0.155 56.026 55.803 0.114 0.000 1.021 320 Q CB -0.474 28.296 28.738 0.053 0.000 1.244 320 Q HN 0.623 nan 8.270 nan 0.000 0.404 321 N N -0.707 118.071 118.700 0.129 0.000 2.235 321 N HA -0.022 4.719 4.740 0.001 0.000 0.231 321 N C -1.132 174.500 175.510 0.203 0.000 1.177 321 N CA -0.287 52.838 53.050 0.125 0.000 0.874 321 N CB 0.360 38.901 38.487 0.090 0.000 1.097 321 N HN 0.243 nan 8.380 nan 0.000 0.518 322 Y N 1.046 121.374 120.300 0.047 0.000 2.313 322 Y HA 0.450 5.001 4.550 0.001 0.000 0.320 322 Y C -1.364 174.574 175.900 0.062 0.000 1.171 322 Y CA -0.908 57.218 58.100 0.044 0.000 1.093 322 Y CB 1.155 39.632 38.460 0.028 0.000 1.224 322 Y HN 0.158 nan 8.280 nan 0.000 0.421 323 S N 4.440 120.017 115.700 -0.204 0.000 2.536 323 S HA 0.917 5.388 4.470 0.001 0.000 0.298 323 S C -1.731 172.731 174.600 -0.231 0.000 1.083 323 S CA -0.707 57.435 58.200 -0.097 0.000 0.995 323 S CB 2.042 65.219 63.200 -0.040 0.000 1.058 323 S HN 0.451 nan 8.310 nan 0.000 0.488 324 V N 3.847 123.731 119.914 -0.050 0.000 2.525 324 V HA 0.468 4.589 4.120 0.001 0.000 0.299 324 V C -0.409 175.719 176.094 0.057 0.000 1.034 324 V CA -0.596 61.688 62.300 -0.027 0.000 0.863 324 V CB 1.620 33.465 31.823 0.037 0.000 0.999 324 V HN 1.041 nan 8.190 nan 0.000 0.423 325 M N 4.111 123.715 119.600 0.007 0.000 2.180 325 M HA 0.531 5.012 4.480 0.001 0.000 0.350 325 M C -1.257 175.062 176.300 0.031 0.000 1.125 325 M CA -0.193 55.092 55.300 -0.025 0.000 1.031 325 M CB 1.109 33.642 32.600 -0.111 0.000 1.623 325 M HN 0.557 nan 8.290 nan 0.000 0.451 326 D N 5.119 125.524 120.400 0.008 0.000 2.198 326 D HA 0.544 5.184 4.640 0.001 0.000 0.247 326 D C -0.915 175.362 176.300 -0.039 0.000 1.010 326 D CA -0.067 53.943 54.000 0.015 0.000 0.880 326 D CB 1.916 42.742 40.800 0.043 0.000 1.209 326 D HN 0.613 nan 8.370 nan 0.000 0.451 327 I N 2.215 122.789 120.570 0.007 0.000 2.411 327 I HA 0.265 4.435 4.170 0.001 0.000 0.284 327 I C -0.648 175.475 176.117 0.009 0.000 1.012 327 I CA -0.605 60.691 61.300 -0.006 0.000 1.119 327 I CB 1.204 39.260 38.000 0.094 0.000 1.261 327 I HN 0.163 nan 8.210 nan 0.000 0.448 328 c N 3.769 122.360 118.600 -0.015 0.000 2.382 328 c HA 0.540 5.111 4.570 0.001 0.000 0.327 328 c C -0.151 174.083 174.090 0.239 0.000 1.250 328 c CA -0.708 55.682 56.329 0.102 0.000 1.707 328 c CB 0.958 43.532 42.510 0.105 0.000 2.272 328 c HN 0.577 nan 8.230 nan 0.000 0.506 329 D N 0.238 120.767 120.400 0.216 0.000 2.185 329 D HA 0.328 4.969 4.640 0.001 0.000 0.247 329 D C -0.683 175.587 176.300 -0.050 0.000 1.027 329 D CA -0.202 53.890 54.000 0.153 0.000 0.861 329 D CB 0.814 41.649 40.800 0.058 0.000 1.202 329 D HN 0.580 nan 8.370 nan 0.000 0.453 330 Y N 1.820 121.795 120.300 -0.543 0.000 2.402 330 Y HA 0.188 4.738 4.550 0.001 0.000 0.333 330 Y C -0.201 175.414 175.900 -0.475 0.000 1.076 330 Y CA -0.220 57.217 58.100 -1.105 0.000 1.299 330 Y CB 0.688 38.358 38.460 -1.317 0.000 1.197 330 Y HN 0.179 nan 8.280 nan 0.000 0.517 331 D N 6.000 125.779 120.400 -1.035 0.000 2.443 331 D HA 0.092 4.733 4.640 0.001 0.000 0.221 331 D C 0.407 176.132 176.300 -0.959 0.000 1.097 331 D CA -0.029 53.545 54.000 -0.712 0.000 0.865 331 D CB 0.771 41.321 40.800 -0.418 0.000 1.034 331 D HN 0.863 nan 8.370 nan 0.000 0.511 332 E N 1.228 121.015 120.200 -0.689 0.000 2.209 332 E HA -0.144 4.207 4.350 0.001 0.000 0.196 332 E C 1.614 178.075 176.600 -0.231 0.000 0.993 332 E CA 0.923 57.085 56.400 -0.397 0.000 0.819 332 E CB 0.355 30.006 29.700 -0.081 0.000 0.745 332 E HN 0.414 nan 8.360 nan 0.000 0.477 333 S N 0.658 116.233 115.700 -0.207 0.000 2.343 333 S HA -0.151 4.320 4.470 0.001 0.000 0.219 333 S C 2.142 176.675 174.600 -0.113 0.000 1.033 333 S CA 1.565 59.692 58.200 -0.122 0.000 1.014 333 S CB -0.181 62.958 63.200 -0.102 0.000 0.915 333 S HN 0.354 nan 8.310 nan 0.000 0.435 334 S N 0.169 115.776 115.700 -0.155 0.000 2.556 334 S HA 0.402 4.873 4.470 0.001 0.000 0.216 334 S C 1.435 175.971 174.600 -0.107 0.000 0.970 334 S CA 0.500 58.637 58.200 -0.106 0.000 0.912 334 S CB 0.014 63.158 63.200 -0.092 0.000 0.790 334 S HN 0.828 nan 8.310 nan 0.000 0.504 335 G N 2.057 110.725 108.800 -0.221 0.000 2.233 335 G HA2 -0.257 3.703 3.960 0.001 0.000 0.270 335 G HA3 -0.257 3.703 3.960 0.001 0.000 0.270 335 G C 0.110 174.984 174.900 -0.043 0.000 1.011 335 G CA 0.288 45.322 45.100 -0.110 0.000 0.762 335 G HN 0.516 nan 8.290 nan 0.000 0.511 336 R N -1.725 118.649 120.500 -0.210 0.000 2.782 336 R HA 0.637 4.978 4.340 0.001 0.000 0.258 336 R C -0.732 175.435 176.300 -0.222 0.000 1.055 336 R CA -0.958 55.104 56.100 -0.064 0.000 1.065 336 R CB 0.705 30.994 30.300 -0.019 0.000 1.172 336 R HN 0.183 nan 8.270 nan 0.000 0.510 337 W N 0.832 122.144 121.300 0.021 0.000 2.417 337 W HA 0.355 5.016 4.660 0.001 0.000 0.315 337 W C -0.382 176.124 176.519 -0.022 0.000 1.045 337 W CA -0.442 56.908 57.345 0.009 0.000 1.221 337 W CB 1.030 30.493 29.460 0.005 0.000 1.309 337 W HN 0.267 nan 8.180 nan 0.000 0.453 338 N N 2.401 121.175 118.700 0.123 0.000 2.372 338 N HA 0.436 5.177 4.740 0.001 0.000 0.291 338 N C -1.387 174.170 175.510 0.077 0.000 1.024 338 N CA -0.583 52.506 53.050 0.066 0.000 0.873 338 N CB 1.208 39.695 38.487 0.001 0.000 1.206 338 N HN 0.187 nan 8.380 nan 0.000 0.486 339 c N 3.003 121.636 118.600 0.054 0.000 2.250 339 c HA 0.394 4.964 4.570 0.001 0.000 0.319 339 c C 0.622 174.721 174.090 0.016 0.000 1.124 339 c CA -1.146 55.206 56.329 0.038 0.000 1.527 339 c CB -1.344 41.181 42.510 0.026 0.000 2.001 339 c HN 0.565 nan 8.230 nan 0.000 0.435 340 L N 2.229 123.462 121.223 0.017 0.000 2.540 340 L HA 0.010 4.351 4.340 0.001 0.000 0.276 340 L C 1.641 178.506 176.870 -0.008 0.000 1.212 340 L CA 0.294 55.136 54.840 0.003 0.000 0.893 340 L CB 0.532 42.596 42.059 0.009 0.000 1.138 340 L HN 0.601 nan 8.230 nan 0.000 0.491 341 V N 4.229 124.130 119.914 -0.021 0.000 2.594 341 V HA -0.247 3.874 4.120 0.001 0.000 0.253 341 V C 2.247 178.311 176.094 -0.051 0.000 1.069 341 V CA 2.071 64.350 62.300 -0.035 0.000 1.082 341 V CB 0.016 31.818 31.823 -0.036 0.000 0.680 341 V HN 1.006 nan 8.190 nan 0.000 0.469 342 A N -0.054 122.741 122.820 -0.041 0.000 2.070 342 A HA -0.125 4.196 4.320 0.001 0.000 0.220 342 A C 2.092 179.630 177.584 -0.077 0.000 1.159 342 A CA 1.356 53.361 52.037 -0.053 0.000 0.656 342 A CB -0.399 18.584 19.000 -0.029 0.000 0.800 342 A HN 0.616 nan 8.150 nan 0.000 0.453 343 R N -0.592 119.881 120.500 -0.043 0.000 2.515 343 R HA 0.183 4.524 4.340 0.001 0.000 0.294 343 R C 0.169 176.438 176.300 -0.052 0.000 1.021 343 R CA -0.148 55.951 56.100 -0.002 0.000 1.081 343 R CB 0.137 30.496 30.300 0.099 0.000 1.263 343 R HN 0.559 nan 8.270 nan 0.000 0.557 344 Q N 0.528 120.225 119.800 -0.171 0.000 2.243 344 Q HA 0.175 4.515 4.340 0.001 0.000 0.252 344 Q C -1.116 174.692 176.000 -0.319 0.000 0.909 344 Q CA -0.411 55.317 55.803 -0.125 0.000 0.922 344 Q CB 0.919 29.613 28.738 -0.074 0.000 1.215 344 Q HN 0.262 nan 8.270 nan 0.000 0.427 345 H N 2.354 121.426 119.070 0.002 0.000 2.589 345 H HA 0.462 5.018 4.556 0.001 0.000 0.351 345 H C -0.798 174.495 175.328 -0.058 0.000 1.074 345 H CA -0.434 55.617 56.048 0.006 0.000 1.203 345 H CB 1.222 31.003 29.762 0.031 0.000 1.558 345 H HN 0.484 nan 8.280 nan 0.000 0.522 346 I N 1.881 122.460 120.570 0.015 0.000 2.607 346 I HA 0.348 4.519 4.170 0.001 0.000 0.305 346 I C -0.166 175.886 176.117 -0.108 0.000 0.995 346 I CA -0.558 60.654 61.300 -0.146 0.000 1.148 346 I CB 1.887 39.766 38.000 -0.202 0.000 1.323 346 I HN 0.512 nan 8.210 nan 0.000 0.461 347 E N 5.435 125.506 120.200 -0.214 0.000 2.275 347 E HA 0.610 4.961 4.350 0.001 0.000 0.270 347 E C -1.416 175.097 176.600 -0.144 0.000 0.882 347 E CA -0.689 55.648 56.400 -0.105 0.000 0.758 347 E CB 2.646 32.316 29.700 -0.049 0.000 1.195 347 E HN 0.442 nan 8.360 nan 0.000 0.419 348 M N 1.251 120.828 119.600 -0.038 0.000 2.572 348 M HA 0.392 4.873 4.480 0.001 0.000 0.299 348 M C -0.769 175.548 176.300 0.029 0.000 1.205 348 M CA -0.953 54.365 55.300 0.030 0.000 0.876 348 M CB 2.422 35.074 32.600 0.087 0.000 1.728 348 M HN 0.434 nan 8.290 nan 0.000 0.458 349 S N -0.295 115.426 115.700 0.036 0.000 2.478 349 S HA 0.512 4.983 4.470 0.001 0.000 0.312 349 S C -0.205 174.383 174.600 -0.019 0.000 1.094 349 S CA -0.582 57.612 58.200 -0.010 0.000 1.081 349 S CB 1.613 64.793 63.200 -0.034 0.000 1.007 349 S HN 0.697 nan 8.310 nan 0.000 0.475 350 T N 2.085 116.620 114.554 -0.032 0.000 2.988 350 T HA 0.018 4.369 4.350 0.001 0.000 0.240 350 T C 2.122 176.785 174.700 -0.062 0.000 1.014 350 T CA 1.349 63.432 62.100 -0.029 0.000 1.155 350 T CB -0.593 68.267 68.868 -0.012 0.000 0.872 350 T HN 0.868 nan 8.240 nan 0.000 0.440 351 T N -0.689 113.822 114.554 -0.072 0.000 2.985 351 T HA 0.377 4.728 4.350 0.001 0.000 0.266 351 T C 1.249 175.739 174.700 -0.350 0.000 1.076 351 T CA 0.928 62.977 62.100 -0.084 0.000 1.135 351 T CB 0.005 68.928 68.868 0.091 0.000 0.890 351 T HN 0.443 nan 8.240 nan 0.000 0.480 352 G N 0.168 108.547 108.800 -0.703 0.000 3.159 352 G HA2 0.492 4.452 3.960 0.001 0.000 0.150 352 G HA3 0.492 4.452 3.960 0.001 0.000 0.150 352 G C -1.362 173.252 174.900 -0.476 0.000 1.193 352 G CA -0.482 44.037 45.100 -0.968 0.000 1.177 352 G HN 0.519 nan 8.290 nan 0.000 0.635 353 W N -0.200 120.840 121.300 -0.433 0.000 2.380 353 W HA 0.779 5.439 4.660 0.001 0.000 0.441 353 W C -0.530 175.938 176.519 -0.085 0.000 1.762 353 W CA -1.269 55.954 57.345 -0.203 0.000 1.905 353 W CB 0.499 29.817 29.460 -0.236 0.000 1.624 353 W HN 0.262 nan 8.180 nan 0.000 0.717 354 V N 2.660 122.673 119.914 0.165 0.000 2.394 354 V HA 0.693 4.813 4.120 0.001 0.000 0.282 354 V C 0.717 176.902 176.094 0.151 0.000 1.031 354 V CA 0.240 62.589 62.300 0.082 0.000 0.881 354 V CB 0.023 31.888 31.823 0.070 0.000 0.982 354 V HN 1.274 nan 8.190 nan 0.000 0.451 355 G N 5.298 114.140 108.800 0.070 0.000 2.828 355 G HA2 -0.200 3.760 3.960 0.001 0.000 0.463 355 G HA3 -0.200 3.760 3.960 0.001 0.000 0.463 355 G C 0.389 175.389 174.900 0.166 0.000 1.394 355 G CA 0.286 45.447 45.100 0.102 0.000 0.862 355 G HN 0.651 nan 8.290 nan 0.000 0.540 356 R N -0.920 119.660 120.500 0.134 0.000 2.064 356 R HA 0.124 4.465 4.340 0.001 0.000 0.228 356 R C 2.011 178.271 176.300 -0.067 0.000 1.144 356 R CA 2.153 58.285 56.100 0.053 0.000 0.932 356 R CB -0.129 30.202 30.300 0.052 0.000 0.833 356 R HN 0.455 nan 8.270 nan 0.000 0.429 357 F N -0.670 119.417 119.950 0.227 0.000 2.767 357 F HA 0.272 4.800 4.527 0.001 0.000 0.323 357 F C 0.292 176.119 175.800 0.045 0.000 1.091 357 F CA -0.426 57.655 58.000 0.136 0.000 1.192 357 F CB 0.750 39.835 39.000 0.141 0.000 1.056 357 F HN -0.046 nan 8.300 nan 0.000 0.571 358 R N -1.540 119.084 120.500 0.206 0.000 2.765 358 R HA 0.411 4.751 4.340 0.001 0.000 0.277 358 R C -3.379 172.975 176.300 0.089 0.000 1.028 358 R CA -1.818 54.338 56.100 0.093 0.000 0.860 358 R CB 0.165 30.485 30.300 0.034 0.000 1.270 358 R HN -0.352 nan 8.270 nan 0.000 0.484 359 P HA -0.001 nan 4.420 nan 0.000 0.266 359 P C -0.411 176.907 177.300 0.030 0.000 1.195 359 P CA 0.030 63.147 63.100 0.028 0.000 0.768 359 P CB 0.736 32.428 31.700 -0.012 0.000 0.838 360 S N 1.811 117.538 115.700 0.044 0.000 2.579 360 S HA 0.126 4.597 4.470 0.001 0.000 0.275 360 S C 0.252 174.859 174.600 0.013 0.000 1.345 360 S CA -0.736 57.504 58.200 0.067 0.000 1.031 360 S CB 0.371 63.633 63.200 0.104 0.000 0.892 360 S HN 0.528 nan 8.310 nan 0.000 0.529 361 E N 1.985 122.207 120.200 0.037 0.000 2.366 361 E HA 0.334 4.685 4.350 0.001 0.000 0.266 361 E C -2.722 173.808 176.600 -0.117 0.000 1.051 361 E CA -2.053 54.311 56.400 -0.061 0.000 0.884 361 E CB 0.236 29.906 29.700 -0.050 0.000 1.006 361 E HN 0.452 nan 8.360 nan 0.000 0.417 362 P HA 0.232 nan 4.420 nan 0.000 0.286 362 P C -0.812 176.246 177.300 -0.403 0.000 1.261 362 P CA -0.369 62.491 63.100 -0.400 0.000 0.821 362 P CB 0.809 31.952 31.700 -0.929 0.000 1.013 363 H N 2.290 121.319 119.070 -0.068 0.000 2.786 363 H HA 0.285 4.842 4.556 0.001 0.000 0.284 363 H C -0.231 175.181 175.328 0.140 0.000 1.104 363 H CA -0.336 55.778 56.048 0.109 0.000 1.339 363 H CB 0.126 30.004 29.762 0.192 0.000 1.427 363 H HN 0.312 nan 8.280 nan 0.000 0.497 364 F N 1.840 121.952 119.950 0.269 0.000 2.418 364 F HA 0.044 4.572 4.527 0.001 0.000 0.341 364 F C 1.738 177.720 175.800 0.303 0.000 1.120 364 F CA -0.306 57.865 58.000 0.286 0.000 1.232 364 F CB 0.897 39.999 39.000 0.171 0.000 1.175 364 F HN 0.357 nan 8.300 nan 0.000 0.569 365 T N 0.227 115.080 114.554 0.498 0.000 2.732 365 T HA 0.113 4.464 4.350 0.001 0.000 0.287 365 T C 1.101 175.990 174.700 0.314 0.000 0.993 365 T CA -0.764 61.564 62.100 0.381 0.000 0.966 365 T CB 0.622 69.698 68.868 0.347 0.000 1.047 365 T HN 0.546 nan 8.240 nan 0.000 0.527 366 L N 1.278 122.642 121.223 0.235 0.000 2.013 366 L HA -0.075 4.265 4.340 0.001 0.000 0.212 366 L C 2.056 179.034 176.870 0.179 0.000 1.073 366 L CA 2.477 57.430 54.840 0.187 0.000 0.753 366 L CB -1.099 41.048 42.059 0.146 0.000 0.890 366 L HN 0.946 nan 8.230 nan 0.000 0.432 367 D N -1.471 119.036 120.400 0.179 0.000 2.363 367 D HA 0.092 4.732 4.640 0.001 0.000 0.226 367 D C 1.575 177.981 176.300 0.178 0.000 1.020 367 D CA 0.705 54.800 54.000 0.159 0.000 0.892 367 D CB -0.576 40.308 40.800 0.140 0.000 0.900 367 D HN 0.415 nan 8.370 nan 0.000 0.531 368 G N 0.584 109.527 108.800 0.238 0.000 2.187 368 G HA2 -0.372 3.589 3.960 0.001 0.000 0.261 368 G HA3 -0.372 3.589 3.960 0.001 0.000 0.261 368 G C 0.911 176.000 174.900 0.315 0.000 1.000 368 G CA 0.472 45.729 45.100 0.261 0.000 0.718 368 G HN 0.380 nan 8.290 nan 0.000 0.519 369 N N -0.011 118.857 118.700 0.280 0.000 2.373 369 N HA 0.171 4.912 4.740 0.001 0.000 0.181 369 N C 1.019 176.663 175.510 0.223 0.000 1.082 369 N CA 1.130 54.317 53.050 0.229 0.000 0.885 369 N CB 0.428 39.007 38.487 0.153 0.000 0.977 369 N HN 0.901 nan 8.380 nan 0.000 0.462 370 S N -0.516 115.347 115.700 0.272 0.000 2.625 370 S HA 0.768 5.239 4.470 0.001 0.000 0.271 370 S C -0.970 173.724 174.600 0.157 0.000 1.161 370 S CA -0.993 57.245 58.200 0.064 0.000 0.820 370 S CB 1.790 64.942 63.200 -0.081 0.000 1.137 370 S HN 0.120 nan 8.310 nan 0.000 0.470 371 F N -1.952 117.839 119.950 -0.265 0.000 2.686 371 F HA 0.830 5.357 4.527 0.001 0.000 0.311 371 F C -2.199 173.411 175.800 -0.316 0.000 1.128 371 F CA -1.532 56.239 58.000 -0.382 0.000 0.946 371 F CB 0.590 38.973 39.000 -1.029 0.000 1.336 371 F HN 0.605 nan 8.300 nan 0.000 0.457 372 Y N 1.079 121.557 120.300 0.296 0.000 2.409 372 Y HA 0.704 5.255 4.550 0.001 0.000 0.339 372 Y C -0.251 175.836 175.900 0.311 0.000 1.033 372 Y CA -0.919 57.345 58.100 0.273 0.000 1.094 372 Y CB 2.188 40.744 38.460 0.159 0.000 1.210 372 Y HN 0.751 nan 8.280 nan 0.000 0.456 373 K N 2.675 123.335 120.400 0.433 0.000 2.542 373 K HA 0.520 4.841 4.320 0.001 0.000 0.259 373 K C -1.771 174.991 176.600 0.271 0.000 0.932 373 K CA -0.577 55.905 56.287 0.325 0.000 0.820 373 K CB 1.671 34.297 32.500 0.210 0.000 1.345 373 K HN 0.739 nan 8.250 nan 0.000 0.432 374 I N 6.102 126.794 120.570 0.202 0.000 2.416 374 I HA 0.258 4.429 4.170 0.001 0.000 0.288 374 I C 0.174 176.394 176.117 0.171 0.000 1.051 374 I CA -0.321 61.073 61.300 0.157 0.000 1.375 374 I CB 0.404 38.472 38.000 0.113 0.000 1.407 374 I HN 0.482 nan 8.210 nan 0.000 0.516 375 I N 2.100 122.803 120.570 0.222 0.000 2.894 375 I HA 0.443 4.614 4.170 0.001 0.000 0.302 375 I C -0.364 175.902 176.117 0.248 0.000 1.188 375 I CA -0.742 60.689 61.300 0.218 0.000 1.014 375 I CB 2.172 40.310 38.000 0.230 0.000 1.242 375 I HN 0.366 nan 8.210 nan 0.000 0.430 376 S N 3.354 119.127 115.700 0.121 0.000 2.510 376 S HA 0.212 4.683 4.470 0.001 0.000 0.279 376 S C 0.093 174.742 174.600 0.083 0.000 1.284 376 S CA -0.450 57.762 58.200 0.021 0.000 1.059 376 S CB -0.226 62.924 63.200 -0.083 0.000 0.901 376 S HN 0.833 nan 8.310 nan 0.000 0.491 377 N N 4.159 122.786 118.700 -0.121 0.000 2.374 377 N HA 0.177 4.917 4.740 0.001 0.000 0.284 377 N C 0.729 176.147 175.510 -0.153 0.000 1.280 377 N CA -0.368 52.473 53.050 -0.348 0.000 0.963 377 N CB -0.047 37.819 38.487 -1.036 0.000 1.141 377 N HN 0.540 nan 8.380 nan 0.000 0.565 378 E N -0.614 119.497 120.200 -0.149 0.000 2.333 378 E HA -0.119 4.232 4.350 0.001 0.000 0.198 378 E C 0.471 177.021 176.600 -0.084 0.000 1.007 378 E CA 0.853 57.205 56.400 -0.079 0.000 0.845 378 E CB -0.054 29.609 29.700 -0.062 0.000 0.766 378 E HN 0.585 nan 8.360 nan 0.000 0.507 379 E N -0.448 119.696 120.200 -0.093 0.000 2.474 379 E HA 0.066 4.416 4.350 0.001 0.000 0.194 379 E C 1.112 177.673 176.600 -0.065 0.000 1.041 379 E CA 0.518 56.911 56.400 -0.013 0.000 0.874 379 E CB 0.568 30.316 29.700 0.080 0.000 0.914 379 E HN 0.343 nan 8.360 nan 0.000 0.498 380 G N 1.021 109.730 108.800 -0.152 0.000 2.132 380 G HA2 -0.284 3.677 3.960 0.001 0.000 0.234 380 G HA3 -0.284 3.677 3.960 0.001 0.000 0.234 380 G C -0.298 174.317 174.900 -0.474 0.000 0.989 380 G CA 0.012 44.924 45.100 -0.312 0.000 0.676 380 G HN 0.218 nan 8.290 nan 0.000 0.522 381 Y N 0.202 120.376 120.300 -0.211 0.000 2.341 381 Y HA 0.614 5.164 4.550 0.001 0.000 0.337 381 Y C 1.136 176.889 175.900 -0.244 0.000 1.014 381 Y CA -0.947 57.018 58.100 -0.225 0.000 1.111 381 Y CB 1.109 39.455 38.460 -0.191 0.000 1.194 381 Y HN 0.088 nan 8.280 nan 0.000 0.462 382 R N 3.955 124.337 120.500 -0.196 0.000 2.351 382 R HA 0.216 4.556 4.340 0.001 0.000 0.318 382 R C -0.714 175.291 176.300 -0.491 0.000 1.055 382 R CA 0.114 56.090 56.100 -0.208 0.000 0.968 382 R CB 0.009 30.234 30.300 -0.124 0.000 0.974 382 R HN 0.652 nan 8.270 nan 0.000 0.439 383 H N 1.735 120.757 119.070 -0.081 0.000 2.907 383 H HA 0.333 4.890 4.556 0.001 0.000 0.361 383 H C -0.083 175.307 175.328 0.103 0.000 1.194 383 H CA -0.981 54.997 56.048 -0.116 0.000 1.152 383 H CB 1.648 31.217 29.762 -0.321 0.000 1.867 383 H HN 0.310 nan 8.280 nan 0.000 0.561 384 I N 1.303 121.948 120.570 0.125 0.000 2.416 384 I HA 0.030 4.201 4.170 0.001 0.000 0.288 384 I C 0.309 176.492 176.117 0.110 0.000 1.051 384 I CA 0.167 61.517 61.300 0.084 0.000 1.375 384 I CB 0.329 38.276 38.000 -0.088 0.000 1.407 384 I HN 0.145 nan 8.210 nan 0.000 0.516 385 c N 7.326 125.938 118.600 0.020 0.000 2.417 385 c HA 0.410 4.981 4.570 0.001 0.000 0.324 385 c C -0.401 173.591 174.090 -0.164 0.000 1.240 385 c CA -0.502 55.619 56.329 -0.348 0.000 1.632 385 c CB 0.852 42.865 42.510 -0.828 0.000 2.241 385 c HN 0.623 nan 8.230 nan 0.000 0.499 386 Y N 5.001 125.014 120.300 -0.479 0.000 2.341 386 Y HA 0.627 5.178 4.550 0.001 0.000 0.340 386 Y C -0.921 174.556 175.900 -0.704 0.000 0.997 386 Y CA -0.956 56.815 58.100 -0.548 0.000 1.149 386 Y CB 0.146 38.386 38.460 -0.368 0.000 1.171 386 Y HN 0.629 nan 8.280 nan 0.000 0.494 387 F N 3.762 123.037 119.950 -1.124 0.000 2.492 387 F HA 0.450 4.978 4.527 0.001 0.000 0.327 387 F C -0.061 174.989 175.800 -1.250 0.000 1.079 387 F CA -1.006 56.233 58.000 -1.267 0.000 0.967 387 F CB 1.497 39.318 39.000 -1.965 0.000 1.169 387 F HN 0.261 nan 8.300 nan 0.000 0.472 388 Q N 2.194 121.649 119.800 -0.574 0.000 2.256 388 Q HA 0.331 4.671 4.340 0.001 0.000 0.257 388 Q C 0.935 176.906 176.000 -0.048 0.000 0.936 388 Q CA -0.314 55.289 55.803 -0.334 0.000 0.903 388 Q CB 1.568 30.165 28.738 -0.235 0.000 1.263 388 Q HN 0.720 nan 8.270 nan 0.000 0.440 389 I N -0.833 119.803 120.570 0.109 0.000 2.567 389 I HA -0.111 4.060 4.170 0.001 0.000 0.257 389 I C 0.255 176.585 176.117 0.355 0.000 1.184 389 I CA 1.353 62.876 61.300 0.372 0.000 1.451 389 I CB 0.044 38.269 38.000 0.375 0.000 1.089 389 I HN 0.398 nan 8.210 nan 0.000 0.441 390 D N 0.428 120.925 120.400 0.162 0.000 2.670 390 D HA 0.295 4.936 4.640 0.001 0.000 0.255 390 D C -0.301 176.008 176.300 0.014 0.000 1.286 390 D CA -0.370 53.668 54.000 0.063 0.000 0.830 390 D CB 0.321 41.144 40.800 0.039 0.000 1.065 390 D HN 0.137 nan 8.370 nan 0.000 0.486 391 K N 0.285 120.717 120.400 0.053 0.000 2.427 391 K HA 0.356 4.676 4.320 0.001 0.000 0.252 391 K C 0.803 177.424 176.600 0.035 0.000 0.931 391 K CA -0.662 55.622 56.287 -0.005 0.000 0.793 391 K CB 2.139 34.603 32.500 -0.061 0.000 1.211 391 K HN -0.349 nan 8.250 nan 0.000 0.426 392 K N 0.519 120.904 120.400 -0.025 0.000 2.062 392 K HA 0.040 4.361 4.320 0.001 0.000 0.205 392 K C -0.299 176.304 176.600 0.005 0.000 1.051 392 K CA 1.112 57.402 56.287 0.004 0.000 0.941 392 K CB 0.123 32.603 32.500 -0.033 0.000 0.719 392 K HN 0.603 nan 8.250 nan 0.000 0.440 393 D N 1.114 121.459 120.400 -0.091 0.000 2.304 393 D HA 0.076 4.717 4.640 0.001 0.000 0.250 393 D C 0.346 176.420 176.300 -0.377 0.000 1.107 393 D CA -0.224 53.659 54.000 -0.194 0.000 0.885 393 D CB 1.133 41.837 40.800 -0.159 0.000 1.192 393 D HN 0.197 nan 8.370 nan 0.000 0.436 394 c N 0.157 118.367 118.600 -0.650 0.000 2.470 394 c HA 0.803 5.374 4.570 0.001 0.000 0.341 394 c C 0.202 173.863 174.090 -0.715 0.000 1.190 394 c CA -0.650 55.060 56.329 -1.031 0.000 1.904 394 c CB 1.109 42.298 42.510 -2.202 0.000 2.354 394 c HN 0.465 nan 8.230 nan 0.000 0.509 395 T N 2.111 116.324 114.554 -0.569 0.000 2.779 395 T HA 0.489 4.839 4.350 0.001 0.000 0.280 395 T C -0.639 173.854 174.700 -0.345 0.000 0.987 395 T CA 0.121 62.030 62.100 -0.319 0.000 0.966 395 T CB 0.442 69.263 68.868 -0.077 0.000 0.933 395 T HN 0.493 nan 8.240 nan 0.000 0.442 396 F N 3.180 123.014 119.950 -0.194 0.000 2.495 396 F HA 0.267 4.794 4.527 0.001 0.000 0.365 396 F C 1.580 177.206 175.800 -0.289 0.000 1.090 396 F CA -0.907 56.964 58.000 -0.215 0.000 1.235 396 F CB 0.450 39.326 39.000 -0.206 0.000 1.119 396 F HN 0.562 nan 8.300 nan 0.000 0.562 397 I N -0.669 119.786 120.570 -0.192 0.000 4.057 397 I HA 0.249 4.420 4.170 0.001 0.000 0.334 397 I C 0.112 176.046 176.117 -0.304 0.000 1.308 397 I CA 0.089 61.042 61.300 -0.577 0.000 1.125 397 I CB 0.063 37.448 38.000 -1.025 0.000 1.034 397 I HN 0.481 nan 8.210 nan 0.000 0.401 398 T N 0.134 114.585 114.554 -0.172 0.000 2.896 398 T HA 0.714 5.065 4.350 0.001 0.000 0.297 398 T C -0.733 173.654 174.700 -0.522 0.000 1.108 398 T CA -0.702 61.303 62.100 -0.157 0.000 1.004 398 T CB 2.671 71.525 68.868 -0.023 0.000 1.159 398 T HN 0.481 nan 8.240 nan 0.000 0.499 399 K N -0.219 119.728 120.400 -0.754 0.000 2.607 399 K HA 0.801 5.122 4.320 0.001 0.000 0.287 399 K C -0.493 175.477 176.600 -1.049 0.000 0.996 399 K CA -0.930 54.559 56.287 -1.331 0.000 0.876 399 K CB 1.419 33.505 32.500 -0.691 0.000 1.496 399 K HN 1.582 nan 8.250 nan 0.000 0.415 400 G N -0.016 108.146 108.800 -1.063 0.000 2.339 400 G HA2 0.098 4.059 3.960 0.001 0.000 0.381 400 G HA3 0.098 4.059 3.960 0.001 0.000 0.381 400 G C -0.811 173.524 174.900 -0.941 0.000 1.400 400 G CA -0.404 44.255 45.100 -0.735 0.000 1.002 400 G HN 0.994 nan 8.290 nan 0.000 0.633 401 T N -0.270 113.890 114.554 -0.656 0.000 4.098 401 T HA 0.563 4.914 4.350 0.001 0.000 0.291 401 T C 0.230 174.705 174.700 -0.374 0.000 1.440 401 T CA 0.546 62.065 62.100 -0.968 0.000 1.164 401 T CB -0.954 67.601 68.868 -0.522 0.000 1.313 401 T HN 1.542 nan 8.240 nan 0.000 0.951 402 W N -0.278 120.821 121.300 -0.334 0.000 2.881 402 W HA 0.608 5.269 4.660 0.001 0.000 0.380 402 W C -1.616 174.878 176.519 -0.041 0.000 1.170 402 W CA -0.968 56.336 57.345 -0.067 0.000 1.171 402 W CB 0.606 30.021 29.460 -0.074 0.000 1.464 402 W HN 0.214 nan 8.180 nan 0.000 0.574 403 E N 0.753 121.137 120.200 0.307 0.000 2.340 403 E HA 0.445 4.796 4.350 0.001 0.000 0.273 403 E C -1.229 175.481 176.600 0.184 0.000 0.891 403 E CA -1.172 55.218 56.400 -0.018 0.000 0.757 403 E CB 3.420 33.140 29.700 0.034 0.000 1.231 403 E HN 0.160 nan 8.360 nan 0.000 0.439 404 V N 3.788 123.674 119.914 -0.047 0.000 2.488 404 V HA 0.004 4.125 4.120 0.001 0.000 0.277 404 V C 1.154 177.319 176.094 0.118 0.000 1.046 404 V CA 0.066 62.422 62.300 0.094 0.000 0.986 404 V CB 0.595 32.344 31.823 -0.123 0.000 0.989 404 V HN 0.691 nan 8.190 nan 0.000 0.475 405 I N 3.342 124.014 120.570 0.169 0.000 2.400 405 I HA 0.244 4.415 4.170 0.001 0.000 0.248 405 I C 1.108 177.324 176.117 0.165 0.000 1.109 405 I CA 1.157 62.547 61.300 0.150 0.000 1.425 405 I CB -0.706 37.319 38.000 0.043 0.000 1.094 405 I HN 0.738 nan 8.210 nan 0.000 0.425 406 G N 0.662 109.561 108.800 0.165 0.000 2.667 406 G HA2 0.534 4.495 3.960 0.001 0.000 0.294 406 G HA3 0.534 4.495 3.960 0.001 0.000 0.294 406 G C -1.285 173.693 174.900 0.130 0.000 1.467 406 G CA -0.532 44.660 45.100 0.154 0.000 0.852 406 G HN -0.046 nan 8.290 nan 0.000 0.521 407 I N 1.672 122.251 120.570 0.016 0.000 2.325 407 I HA 0.247 4.418 4.170 0.001 0.000 0.291 407 I C 0.738 176.778 176.117 -0.128 0.000 1.019 407 I CA -0.531 60.672 61.300 -0.160 0.000 1.302 407 I CB 1.712 39.346 38.000 -0.609 0.000 1.401 407 I HN 0.520 nan 8.210 nan 0.000 0.485 408 E N 5.026 125.215 120.200 -0.020 0.000 2.290 408 E HA 0.328 4.679 4.350 0.001 0.000 0.197 408 E C 0.167 176.694 176.600 -0.122 0.000 0.948 408 E CA 0.244 56.663 56.400 0.032 0.000 0.895 408 E CB 0.762 30.561 29.700 0.166 0.000 0.865 408 E HN 0.660 nan 8.360 nan 0.000 0.486 409 A N 0.591 123.245 122.820 -0.277 0.000 2.608 409 A HA 0.618 4.938 4.320 0.001 0.000 0.292 409 A C -1.976 175.518 177.584 -0.149 0.000 1.066 409 A CA -0.634 51.170 52.037 -0.389 0.000 0.676 409 A CB 1.332 19.576 19.000 -1.259 0.000 1.277 409 A HN 0.044 nan 8.150 nan 0.000 0.413 410 L N 1.139 122.325 121.223 -0.063 0.000 2.464 410 L HA 0.851 5.192 4.340 0.001 0.000 0.266 410 L C 0.028 176.929 176.870 0.052 0.000 0.965 410 L CA 0.548 55.389 54.840 0.003 0.000 0.833 410 L CB 2.241 44.328 42.059 0.046 0.000 1.296 410 L HN 1.295 nan 8.230 nan 0.000 0.405 411 T N -0.513 114.084 114.554 0.073 0.000 2.858 411 T HA 0.417 4.768 4.350 0.001 0.000 0.285 411 T C 0.935 175.672 174.700 0.061 0.000 1.052 411 T CA 0.063 62.218 62.100 0.090 0.000 1.009 411 T CB 1.198 70.151 68.868 0.141 0.000 1.241 411 T HN 0.684 nan 8.240 nan 0.000 0.542 412 S N -0.324 115.411 115.700 0.059 0.000 2.447 412 S HA -0.084 4.387 4.470 0.001 0.000 0.233 412 S C 0.893 175.471 174.600 -0.036 0.000 1.006 412 S CA 1.103 59.323 58.200 0.034 0.000 0.957 412 S CB -0.544 62.680 63.200 0.040 0.000 0.773 412 S HN 0.712 nan 8.310 nan 0.000 0.507 413 D N -0.574 119.789 120.400 -0.063 0.000 2.379 413 D HA 0.256 4.897 4.640 0.001 0.000 0.218 413 D C -0.390 175.602 176.300 -0.513 0.000 1.006 413 D CA 0.641 54.482 54.000 -0.266 0.000 0.893 413 D CB 0.232 40.888 40.800 -0.241 0.000 1.019 413 D HN 0.452 nan 8.370 nan 0.000 0.503 414 Y N -0.320 119.900 120.300 -0.134 0.000 2.553 414 Y HA 0.468 5.019 4.550 0.001 0.000 0.347 414 Y C -0.667 175.024 175.900 -0.347 0.000 1.019 414 Y CA -1.049 56.873 58.100 -0.297 0.000 1.032 414 Y CB 2.470 40.611 38.460 -0.531 0.000 1.284 414 Y HN -0.287 nan 8.280 nan 0.000 0.466 415 L N 2.708 123.790 121.223 -0.234 0.000 2.333 415 L HA 0.593 4.933 4.340 0.001 0.000 0.280 415 L C -1.799 174.924 176.870 -0.245 0.000 1.004 415 L CA -0.545 54.139 54.840 -0.259 0.000 0.820 415 L CB 0.737 42.556 42.059 -0.399 0.000 1.247 415 L HN 0.599 nan 8.230 nan 0.000 0.416 416 Y N 4.882 125.090 120.300 -0.153 0.000 2.342 416 Y HA 0.556 5.106 4.550 0.001 0.000 0.334 416 Y C -0.425 175.456 175.900 -0.032 0.000 1.067 416 Y CA -0.221 57.778 58.100 -0.169 0.000 1.128 416 Y CB 1.347 39.578 38.460 -0.382 0.000 1.200 416 Y HN 0.548 nan 8.280 nan 0.000 0.464 417 Y N -0.151 120.193 120.300 0.073 0.000 2.638 417 Y HA 0.780 5.330 4.550 0.001 0.000 0.335 417 Y C -1.864 174.104 175.900 0.114 0.000 1.155 417 Y CA -1.976 56.159 58.100 0.059 0.000 1.046 417 Y CB 1.042 39.511 38.460 0.016 0.000 1.303 417 Y HN 0.416 nan 8.280 nan 0.000 0.460 418 I N 2.917 123.637 120.570 0.250 0.000 2.441 418 I HA 0.657 4.828 4.170 0.001 0.000 0.295 418 I C -0.373 175.920 176.117 0.294 0.000 0.994 418 I CA -0.462 60.932 61.300 0.156 0.000 1.144 418 I CB 1.977 40.021 38.000 0.074 0.000 1.314 418 I HN 0.869 nan 8.210 nan 0.000 0.445 419 S N 3.138 118.979 115.700 0.236 0.000 2.638 419 S HA 0.427 4.898 4.470 0.001 0.000 0.274 419 S C -0.617 174.028 174.600 0.075 0.000 1.157 419 S CA -0.896 57.429 58.200 0.208 0.000 0.826 419 S CB 1.707 65.039 63.200 0.220 0.000 1.139 419 S HN 0.636 nan 8.310 nan 0.000 0.474 420 N N -0.362 118.379 118.700 0.067 0.000 2.380 420 N HA 0.157 4.898 4.740 0.001 0.000 0.255 420 N C 0.480 175.957 175.510 -0.055 0.000 1.158 420 N CA -0.349 52.701 53.050 -0.001 0.000 0.878 420 N CB 0.339 38.818 38.487 -0.013 0.000 1.138 420 N HN 0.824 nan 8.380 nan 0.000 0.509 421 E N -0.140 119.877 120.200 -0.305 0.000 2.107 421 E HA -0.185 4.166 4.350 0.001 0.000 0.191 421 E C -0.352 176.083 176.600 -0.275 0.000 0.982 421 E CA 0.177 56.150 56.400 -0.712 0.000 0.809 421 E CB -0.056 28.553 29.700 -1.817 0.000 0.756 421 E HN 0.405 nan 8.360 nan 0.000 0.459 422 Y N 2.255 122.454 120.300 -0.167 0.000 2.802 422 Y HA -0.143 4.408 4.550 0.001 0.000 0.333 422 Y C 0.389 176.242 175.900 -0.079 0.000 1.244 422 Y CA 0.880 58.934 58.100 -0.077 0.000 1.558 422 Y CB 0.049 38.494 38.460 -0.026 0.000 1.233 422 Y HN 0.076 nan 8.280 nan 0.000 0.547 423 K N 3.538 123.609 120.400 -0.547 0.000 3.048 423 K HA -0.259 4.062 4.320 0.001 0.000 0.274 423 K C 0.887 177.381 176.600 -0.177 0.000 1.098 423 K CA 0.802 56.832 56.287 -0.429 0.000 0.807 423 K CB -1.796 30.382 32.500 -0.537 0.000 1.217 423 K HN 1.271 nan 8.250 nan 0.000 0.477 424 G N 0.690 109.410 108.800 -0.133 0.000 2.258 424 G HA2 -0.334 3.627 3.960 0.001 0.000 0.274 424 G HA3 -0.334 3.627 3.960 0.001 0.000 0.274 424 G C 0.049 174.894 174.900 -0.091 0.000 1.021 424 G CA 0.878 45.944 45.100 -0.056 0.000 0.798 424 G HN 0.356 nan 8.290 nan 0.000 0.507 425 M N 0.921 120.411 119.600 -0.183 0.000 2.111 425 M HA 0.219 4.699 4.480 0.001 0.000 0.351 425 M C -0.831 175.236 176.300 -0.389 0.000 1.214 425 M CA -1.960 53.088 55.300 -0.421 0.000 1.120 425 M CB 1.462 33.883 32.600 -0.298 0.000 1.443 425 M HN -0.055 nan 8.290 nan 0.000 0.429 426 P HA -0.088 nan 4.420 nan 0.000 0.222 426 P C 0.999 178.169 177.300 -0.217 0.000 1.147 426 P CA 1.206 64.142 63.100 -0.274 0.000 0.790 426 P CB 0.137 31.691 31.700 -0.245 0.000 0.780 427 G N -0.667 107.942 108.800 -0.319 0.000 3.189 427 G HA2 0.309 4.269 3.960 0.001 0.000 0.225 427 G HA3 0.309 4.269 3.960 0.001 0.000 0.225 427 G C 0.638 175.554 174.900 0.027 0.000 1.159 427 G CA 0.079 45.119 45.100 -0.100 0.000 0.763 427 G HN 0.431 nan 8.290 nan 0.000 0.549 428 G N -0.095 108.665 108.800 -0.067 0.000 2.432 428 G HA2 0.650 4.610 3.960 0.001 0.000 0.331 428 G HA3 0.650 4.610 3.960 0.001 0.000 0.331 428 G C -0.837 173.964 174.900 -0.163 0.000 1.170 428 G CA -0.769 44.324 45.100 -0.011 0.000 0.943 428 G HN 0.084 nan 8.290 nan 0.000 0.483 429 R N 1.254 121.603 120.500 -0.252 0.000 2.574 429 R HA 0.441 4.782 4.340 0.001 0.000 0.288 429 R C -1.250 175.004 176.300 -0.077 0.000 1.004 429 R CA -0.830 55.093 56.100 -0.295 0.000 0.895 429 R CB 2.230 32.113 30.300 -0.696 0.000 1.191 429 R HN 0.585 nan 8.270 nan 0.000 0.444 430 N N 1.501 120.173 118.700 -0.047 0.000 2.357 430 N HA 0.340 5.080 4.740 0.001 0.000 0.284 430 N C -1.261 174.093 175.510 -0.259 0.000 1.236 430 N CA -0.830 52.100 53.050 -0.200 0.000 0.774 430 N CB 2.686 40.941 38.487 -0.388 0.000 1.534 430 N HN 0.257 nan 8.380 nan 0.000 0.478 431 L N 1.919 122.846 121.223 -0.494 0.000 2.305 431 L HA 0.476 4.816 4.340 0.001 0.000 0.281 431 L C -1.404 175.074 176.870 -0.654 0.000 1.085 431 L CA 0.098 54.683 54.840 -0.425 0.000 0.813 431 L CB -0.028 41.775 42.059 -0.426 0.000 1.157 431 L HN 0.420 nan 8.230 nan 0.000 0.436 432 Y N 3.184 123.128 120.300 -0.593 0.000 2.605 432 Y HA 0.623 5.174 4.550 0.001 0.000 0.343 432 Y C -0.576 174.954 175.900 -0.617 0.000 1.036 432 Y CA -0.926 56.777 58.100 -0.661 0.000 1.065 432 Y CB 1.739 39.638 38.460 -0.936 0.000 1.288 432 Y HN 0.560 nan 8.280 nan 0.000 0.481 433 K N 1.856 122.078 120.400 -0.296 0.000 2.422 433 K HA 0.771 5.091 4.320 0.001 0.000 0.251 433 K C -1.901 174.647 176.600 -0.087 0.000 0.933 433 K CA -0.741 55.299 56.287 -0.411 0.000 0.798 433 K CB 2.890 34.890 32.500 -0.834 0.000 1.238 433 K HN 0.750 nan 8.250 nan 0.000 0.428 434 I N 1.849 122.447 120.570 0.048 0.000 2.433 434 I HA 0.174 4.345 4.170 0.001 0.000 0.292 434 I C -0.783 175.428 176.117 0.156 0.000 1.001 434 I CA -0.798 60.603 61.300 0.169 0.000 1.119 434 I CB 2.060 40.183 38.000 0.205 0.000 1.289 434 I HN 0.853 nan 8.210 nan 0.000 0.438 435 Q N 6.298 126.170 119.800 0.119 0.000 2.281 435 Q HA 0.185 4.526 4.340 0.001 0.000 0.267 435 Q C 0.342 176.273 176.000 -0.114 0.000 1.053 435 Q CA -0.180 55.508 55.803 -0.193 0.000 0.905 435 Q CB 1.074 29.717 28.738 -0.159 0.000 1.195 435 Q HN 0.834 nan 8.270 nan 0.000 0.398 436 L N 2.523 123.625 121.223 -0.201 0.000 2.191 436 L HA -0.182 4.159 4.340 0.001 0.000 0.212 436 L C 2.233 178.984 176.870 -0.199 0.000 1.103 436 L CA 1.336 56.133 54.840 -0.072 0.000 0.769 436 L CB -0.417 41.572 42.059 -0.117 0.000 0.908 436 L HN 0.674 nan 8.230 nan 0.000 0.438 437 S N -2.393 113.158 115.700 -0.248 0.000 2.527 437 S HA -0.054 4.417 4.470 0.001 0.000 0.222 437 S C 0.571 174.985 174.600 -0.309 0.000 0.985 437 S CA 0.173 58.219 58.200 -0.257 0.000 0.921 437 S CB 0.073 63.158 63.200 -0.191 0.000 0.772 437 S HN 0.372 nan 8.310 nan 0.000 0.529 438 D N -0.130 120.098 120.400 -0.287 0.000 2.337 438 D HA 0.219 4.859 4.640 0.001 0.000 0.238 438 D C -0.489 175.758 176.300 -0.089 0.000 1.331 438 D CA -0.601 53.261 54.000 -0.230 0.000 0.967 438 D CB 0.124 40.852 40.800 -0.120 0.000 1.382 438 D HN -0.004 nan 8.370 nan 0.000 0.549 439 Y N 0.886 121.168 120.300 -0.030 0.000 2.556 439 Y HA -0.104 4.446 4.550 0.001 0.000 0.290 439 Y C 2.547 178.453 175.900 0.012 0.000 1.149 439 Y CA 1.420 59.514 58.100 -0.009 0.000 1.329 439 Y CB -0.959 37.498 38.460 -0.006 0.000 0.975 439 Y HN 0.420 nan 8.280 nan 0.000 0.561 440 T N -2.900 111.728 114.554 0.122 0.000 3.113 440 T HA -0.002 4.348 4.350 0.001 0.000 0.256 440 T C 0.624 175.373 174.700 0.082 0.000 1.131 440 T CA 0.107 62.260 62.100 0.089 0.000 1.074 440 T CB -0.095 68.800 68.868 0.046 0.000 0.944 440 T HN -0.100 nan 8.240 nan 0.000 0.516 441 K N 2.534 122.985 120.400 0.085 0.000 2.244 441 K HA 0.499 4.820 4.320 0.001 0.000 0.263 441 K C -1.095 175.577 176.600 0.120 0.000 1.103 441 K CA -0.341 55.996 56.287 0.085 0.000 0.966 441 K CB 1.257 33.797 32.500 0.066 0.000 1.429 441 K HN 0.172 nan 8.250 nan 0.000 0.434 442 V N 2.396 122.380 119.914 0.117 0.000 2.417 442 V HA 0.334 4.455 4.120 0.001 0.000 0.291 442 V C -0.028 176.128 176.094 0.104 0.000 1.024 442 V CA -0.621 61.761 62.300 0.136 0.000 0.861 442 V CB 1.853 33.771 31.823 0.159 0.000 0.985 442 V HN 0.553 nan 8.190 nan 0.000 0.436 443 T N 3.427 118.015 114.554 0.058 0.000 2.792 443 T HA 0.258 4.609 4.350 0.001 0.000 0.280 443 T C -0.371 174.252 174.700 -0.129 0.000 0.990 443 T CA -0.295 61.788 62.100 -0.027 0.000 0.960 443 T CB 1.280 70.095 68.868 -0.089 0.000 0.939 443 T HN 0.762 nan 8.240 nan 0.000 0.439 444 C N 4.929 124.084 119.300 -0.240 0.000 2.499 444 C HA 0.432 4.893 4.460 0.001 0.000 0.386 444 C C 1.564 176.224 174.990 -0.549 0.000 1.293 444 C CA -0.512 58.074 59.018 -0.720 0.000 1.884 444 C CB -1.677 25.579 27.740 -0.806 0.000 2.509 444 C HN 0.990 nan 8.230 nan 0.000 0.566 445 L N 4.627 125.483 121.223 -0.610 0.000 2.554 445 L HA 0.119 4.459 4.340 0.001 0.000 0.225 445 L C 2.069 178.631 176.870 -0.513 0.000 1.104 445 L CA 0.680 55.257 54.840 -0.440 0.000 0.866 445 L CB -0.177 41.665 42.059 -0.363 0.000 1.047 445 L HN 0.872 nan 8.230 nan 0.000 0.468 446 S N -3.039 112.231 115.700 -0.717 0.000 2.589 446 S HA -0.007 4.464 4.470 0.001 0.000 0.235 446 S C 1.810 176.001 174.600 -0.682 0.000 1.051 446 S CA -0.116 57.557 58.200 -0.879 0.000 0.978 446 S CB -0.303 61.943 63.200 -1.590 0.000 0.929 446 S HN 0.286 nan 8.310 nan 0.000 0.523 447 C N 2.139 121.014 119.300 -0.709 0.000 2.385 447 C HA -0.010 4.451 4.460 0.001 0.000 0.275 447 C C 2.433 177.127 174.990 -0.494 0.000 1.207 447 C CA 1.422 59.959 59.018 -0.802 0.000 1.760 447 C CB -1.079 25.949 27.740 -1.186 0.000 2.051 447 C HN 0.587 nan 8.230 nan 0.000 0.467 448 E N -0.014 119.983 120.200 -0.339 0.000 2.463 448 E HA 0.193 4.544 4.350 0.001 0.000 0.193 448 E C 1.823 178.367 176.600 -0.093 0.000 1.041 448 E CA -0.062 56.240 56.400 -0.163 0.000 0.879 448 E CB -0.262 29.365 29.700 -0.123 0.000 0.997 448 E HN 0.562 nan 8.360 nan 0.000 0.478 449 L N 0.205 121.370 121.223 -0.097 0.000 2.012 449 L HA -0.086 4.254 4.340 0.001 0.000 0.210 449 L C 0.958 177.836 176.870 0.014 0.000 1.073 449 L CA 0.970 55.797 54.840 -0.023 0.000 0.748 449 L CB 0.005 42.074 42.059 0.017 0.000 0.891 449 L HN 0.113 nan 8.230 nan 0.000 0.431 450 N N -1.494 117.228 118.700 0.036 0.000 2.946 450 N HA 0.071 4.811 4.740 0.001 0.000 0.213 450 N C -2.151 173.379 175.510 0.033 0.000 1.440 450 N CA -0.834 52.231 53.050 0.025 0.000 0.745 450 N CB 0.832 39.328 38.487 0.016 0.000 1.471 450 N HN -0.185 nan 8.380 nan 0.000 0.569 451 P HA -0.152 nan 4.420 nan 0.000 0.217 451 P C 0.736 178.073 177.300 0.062 0.000 1.148 451 P CA 1.309 64.451 63.100 0.071 0.000 0.828 451 P CB 0.695 32.455 31.700 0.100 0.000 0.783 452 E N -0.360 119.860 120.200 0.034 0.000 2.072 452 E HA -0.126 4.225 4.350 0.001 0.000 0.190 452 E C 2.430 179.028 176.600 -0.004 0.000 0.982 452 E CA 0.677 57.088 56.400 0.019 0.000 0.803 452 E CB -0.214 29.490 29.700 0.007 0.000 0.755 452 E HN 0.200 nan 8.360 nan 0.000 0.453 453 R N -0.086 120.401 120.500 -0.023 0.000 2.173 453 R HA 0.069 4.409 4.340 0.001 0.000 0.208 453 R C -0.131 176.115 176.300 -0.090 0.000 1.035 453 R CA 0.506 56.569 56.100 -0.061 0.000 1.004 453 R CB 0.425 30.679 30.300 -0.076 0.000 0.917 453 R HN 0.075 nan 8.270 nan 0.000 0.462 454 c N 0.945 119.500 118.600 -0.075 0.000 2.344 454 c HA 0.415 4.985 4.570 0.001 0.000 0.326 454 c C -0.022 174.036 174.090 -0.053 0.000 1.201 454 c CA -0.686 55.538 56.329 -0.174 0.000 1.410 454 c CB 1.359 43.702 42.510 -0.277 0.000 2.070 454 c HN 0.521 nan 8.230 nan 0.000 0.445 455 Q N 0.427 120.196 119.800 -0.052 0.000 2.113 455 Q HA 0.203 4.544 4.340 0.001 0.000 0.225 455 Q C -0.963 175.105 176.000 0.113 0.000 0.786 455 Q CA 0.085 55.938 55.803 0.084 0.000 0.989 455 Q CB 1.334 30.137 28.738 0.109 0.000 1.174 455 Q HN 0.796 nan 8.270 nan 0.000 0.470 456 Y N 0.371 120.567 120.300 -0.174 0.000 2.333 456 Y HA 0.398 4.948 4.550 0.001 0.000 0.324 456 Y C -1.604 174.152 175.900 -0.240 0.000 1.033 456 Y CA -1.025 57.001 58.100 -0.123 0.000 1.224 456 Y CB 0.865 39.260 38.460 -0.109 0.000 1.120 456 Y HN -0.083 nan 8.280 nan 0.000 0.457 457 Y N 1.985 122.227 120.300 -0.098 0.000 2.562 457 Y HA 0.698 5.249 4.550 0.001 0.000 0.343 457 Y C 0.076 175.926 175.900 -0.083 0.000 1.025 457 Y CA -0.766 57.287 58.100 -0.079 0.000 1.082 457 Y CB 2.479 40.855 38.460 -0.139 0.000 1.264 457 Y HN 0.442 nan 8.280 nan 0.000 0.478 458 S N 0.607 116.404 115.700 0.162 0.000 2.595 458 S HA 0.826 5.297 4.470 0.001 0.000 0.281 458 S C -1.937 172.731 174.600 0.113 0.000 1.117 458 S CA -0.575 57.696 58.200 0.118 0.000 0.873 458 S CB 1.610 64.888 63.200 0.129 0.000 1.108 458 S HN 0.548 nan 8.310 nan 0.000 0.477 459 V N 1.778 121.758 119.914 0.110 0.000 3.114 459 V HA 0.894 5.014 4.120 0.001 0.000 0.308 459 V C -1.128 175.053 176.094 0.146 0.000 1.168 459 V CA -0.306 62.038 62.300 0.074 0.000 1.015 459 V CB 2.379 34.179 31.823 -0.040 0.000 1.050 459 V HN 0.866 nan 8.190 nan 0.000 0.433 460 S N 4.152 119.932 115.700 0.134 0.000 2.789 460 S HA 0.656 5.126 4.470 0.001 0.000 0.286 460 S C -1.244 173.511 174.600 0.257 0.000 1.153 460 S CA -0.381 57.995 58.200 0.294 0.000 1.084 460 S CB 0.362 63.791 63.200 0.380 0.000 1.036 460 S HN 0.493 nan 8.310 nan 0.000 0.484 461 F N 3.096 123.083 119.950 0.062 0.000 2.371 461 F HA 0.449 4.977 4.527 0.001 0.000 0.329 461 F C 1.443 176.805 175.800 -0.730 0.000 1.107 461 F CA -0.248 57.618 58.000 -0.224 0.000 1.137 461 F CB 1.326 40.180 39.000 -0.244 0.000 1.214 461 F HN 0.620 nan 8.300 nan 0.000 0.536 462 S N 2.100 117.150 115.700 -1.083 0.000 2.617 462 S HA 0.155 4.625 4.470 0.001 0.000 0.259 462 S C 1.270 175.620 174.600 -0.417 0.000 1.301 462 S CA -0.803 56.546 58.200 -1.418 0.000 0.984 462 S CB 0.711 63.123 63.200 -1.312 0.000 0.954 462 S HN 0.581 nan 8.310 nan 0.000 0.572 463 K N 0.784 121.077 120.400 -0.179 0.000 2.097 463 K HA -0.152 4.169 4.320 0.001 0.000 0.214 463 K C 0.747 177.331 176.600 -0.028 0.000 1.052 463 K CA 1.733 58.008 56.287 -0.020 0.000 0.932 463 K CB -0.395 32.139 32.500 0.056 0.000 0.716 463 K HN 0.666 nan 8.250 nan 0.000 0.455 464 E N -0.999 119.162 120.200 -0.066 0.000 2.609 464 E HA 0.240 4.591 4.350 0.001 0.000 0.208 464 E C 0.014 176.569 176.600 -0.074 0.000 1.013 464 E CA 0.076 56.450 56.400 -0.042 0.000 1.093 464 E CB 0.632 30.320 29.700 -0.021 0.000 1.129 464 E HN 0.263 nan 8.360 nan 0.000 0.450 465 A N 1.111 123.871 122.820 -0.100 0.000 2.816 465 A HA -0.338 3.982 4.320 0.001 0.000 0.270 465 A C 1.580 179.123 177.584 -0.069 0.000 1.413 465 A CA 1.771 53.772 52.037 -0.060 0.000 0.866 465 A CB -2.002 16.872 19.000 -0.209 0.000 1.032 465 A HN 0.303 nan 8.150 nan 0.000 0.642 466 K N -1.835 118.454 120.400 -0.186 0.000 2.155 466 K HA 0.086 4.407 4.320 0.001 0.000 0.203 466 K C 0.124 176.354 176.600 -0.617 0.000 1.052 466 K CA 1.449 57.511 56.287 -0.375 0.000 0.948 466 K CB -0.027 32.204 32.500 -0.449 0.000 0.728 466 K HN 0.673 nan 8.250 nan 0.000 0.448 467 Y N -0.997 119.190 120.300 -0.188 0.000 2.576 467 Y HA 0.328 4.878 4.550 0.001 0.000 0.346 467 Y C -1.038 174.734 175.900 -0.213 0.000 1.018 467 Y CA -1.336 56.656 58.100 -0.179 0.000 1.050 467 Y CB 1.735 40.108 38.460 -0.145 0.000 1.280 467 Y HN -0.039 nan 8.280 nan 0.000 0.474 468 Y N -0.930 119.294 120.300 -0.127 0.000 2.513 468 Y HA 0.541 5.091 4.550 0.001 0.000 0.340 468 Y C -1.236 174.649 175.900 -0.026 0.000 1.055 468 Y CA -1.490 56.373 58.100 -0.395 0.000 1.020 468 Y CB 1.507 39.168 38.460 -1.331 0.000 1.301 468 Y HN 0.591 nan 8.280 nan 0.000 0.453 469 Q N 3.978 123.889 119.800 0.185 0.000 2.290 469 Q HA 0.559 4.899 4.340 0.001 0.000 0.259 469 Q C -1.797 174.280 176.000 0.128 0.000 0.941 469 Q CA -0.681 55.212 55.803 0.150 0.000 0.912 469 Q CB 1.324 30.136 28.738 0.122 0.000 1.244 469 Q HN 0.976 nan 8.270 nan 0.000 0.441 470 L N 4.039 125.348 121.223 0.143 0.000 2.307 470 L HA 0.538 4.879 4.340 0.001 0.000 0.282 470 L C 0.003 176.931 176.870 0.097 0.000 1.051 470 L CA -0.519 54.397 54.840 0.126 0.000 0.804 470 L CB 1.460 43.577 42.059 0.096 0.000 1.197 470 L HN 0.569 nan 8.230 nan 0.000 0.431 471 R N 3.248 123.778 120.500 0.050 0.000 2.320 471 R HA 0.310 4.651 4.340 0.001 0.000 0.319 471 R C -1.048 175.101 176.300 -0.253 0.000 0.969 471 R CA -0.477 55.472 56.100 -0.252 0.000 0.857 471 R CB 1.266 31.457 30.300 -0.183 0.000 1.160 471 R HN 0.744 nan 8.270 nan 0.000 0.491 472 c N 3.885 122.223 118.600 -0.436 0.000 2.347 472 c HA 0.417 4.988 4.570 0.001 0.000 0.353 472 c C 1.282 175.125 174.090 -0.413 0.000 1.273 472 c CA -0.249 55.695 56.329 -0.641 0.000 1.861 472 c CB 0.454 42.557 42.510 -0.678 0.000 2.420 472 c HN 0.910 nan 8.230 nan 0.000 0.542 473 S N 3.651 119.193 115.700 -0.262 0.000 2.650 473 S HA 0.616 5.086 4.470 0.001 0.000 0.240 473 S C 0.331 174.872 174.600 -0.097 0.000 1.007 473 S CA 0.207 58.319 58.200 -0.147 0.000 0.984 473 S CB 0.033 63.181 63.200 -0.086 0.000 0.910 473 S HN 1.924 nan 8.310 nan 0.000 0.509 474 G N 1.849 110.576 108.800 -0.123 0.000 2.328 474 G HA2 0.391 4.352 3.960 0.001 0.000 0.299 474 G HA3 0.391 4.352 3.960 0.001 0.000 0.299 474 G C -3.022 171.843 174.900 -0.058 0.000 1.435 474 G CA -0.551 44.519 45.100 -0.051 0.000 0.865 474 G HN -0.130 nan 8.290 nan 0.000 0.601 475 P HA 0.115 nan 4.420 nan 0.000 0.229 475 P C 1.280 178.590 177.300 0.016 0.000 1.160 475 P CA 1.347 64.462 63.100 0.025 0.000 0.777 475 P CB 0.390 32.105 31.700 0.025 0.000 0.814 476 G N 0.382 109.129 108.800 -0.088 0.000 2.508 476 G HA2 0.409 4.370 3.960 0.001 0.000 0.278 476 G HA3 0.409 4.370 3.960 0.001 0.000 0.278 476 G C -0.293 174.375 174.900 -0.386 0.000 1.389 476 G CA -0.750 44.223 45.100 -0.211 0.000 1.050 476 G HN 0.046 nan 8.290 nan 0.000 0.522 477 L N 1.122 122.040 121.223 -0.509 0.000 2.456 477 L HA 0.168 4.508 4.340 0.001 0.000 0.272 477 L C -1.862 174.856 176.870 -0.253 0.000 1.189 477 L CA -1.288 53.233 54.840 -0.533 0.000 0.846 477 L CB 0.683 42.495 42.059 -0.412 0.000 1.111 477 L HN 0.233 nan 8.230 nan 0.000 0.475 478 P HA -0.028 nan 4.420 nan 0.000 0.263 478 P C -0.948 176.297 177.300 -0.091 0.000 1.175 478 P CA 0.145 63.177 63.100 -0.112 0.000 0.761 478 P CB 0.463 32.195 31.700 0.053 0.000 0.794 479 L N 5.717 126.806 121.223 -0.223 0.000 2.409 479 L HA 0.486 4.827 4.340 0.001 0.000 0.272 479 L C -1.738 175.005 176.870 -0.212 0.000 0.980 479 L CA -0.734 54.037 54.840 -0.115 0.000 0.826 479 L CB 0.907 42.900 42.059 -0.111 0.000 1.268 479 L HN 0.215 nan 8.230 nan 0.000 0.407 480 Y N 2.753 123.007 120.300 -0.077 0.000 2.335 480 Y HA 0.759 5.309 4.550 0.001 0.000 0.338 480 Y C 0.464 176.259 175.900 -0.175 0.000 0.977 480 Y CA -0.536 57.502 58.100 -0.104 0.000 1.114 480 Y CB 2.112 40.484 38.460 -0.147 0.000 1.182 480 Y HN 0.684 nan 8.280 nan 0.000 0.463 481 T N 0.784 115.343 114.554 0.008 0.000 2.906 481 T HA 0.719 5.069 4.350 0.001 0.000 0.295 481 T C -1.515 173.106 174.700 -0.131 0.000 1.075 481 T CA -0.885 61.155 62.100 -0.101 0.000 1.005 481 T CB 2.035 70.884 68.868 -0.031 0.000 1.136 481 T HN 0.385 nan 8.240 nan 0.000 0.498 482 L N 1.673 122.699 121.223 -0.328 0.000 2.334 482 L HA 0.626 4.967 4.340 0.001 0.000 0.276 482 L C -0.764 175.780 176.870 -0.544 0.000 1.014 482 L CA -0.327 54.362 54.840 -0.251 0.000 0.815 482 L CB 1.255 43.208 42.059 -0.176 0.000 1.268 482 L HN 0.830 nan 8.230 nan 0.000 0.428 483 H N 1.324 120.154 119.070 -0.399 0.000 2.928 483 H HA 0.564 5.121 4.556 0.001 0.000 0.371 483 H C -0.981 174.099 175.328 -0.413 0.000 1.186 483 H CA -0.872 54.837 56.048 -0.565 0.000 1.134 483 H CB 2.094 31.125 29.762 -1.217 0.000 1.824 483 H HN 0.581 nan 8.280 nan 0.000 0.554 484 S N 0.339 115.956 115.700 -0.139 0.000 2.475 484 S HA 0.225 4.696 4.470 0.001 0.000 0.298 484 S C 0.654 175.192 174.600 -0.103 0.000 1.119 484 S CA -0.725 57.382 58.200 -0.155 0.000 1.085 484 S CB 1.897 65.026 63.200 -0.118 0.000 1.028 484 S HN 0.571 nan 8.310 nan 0.000 0.489 485 S N 1.982 117.637 115.700 -0.075 0.000 2.406 485 S HA -0.105 4.366 4.470 0.001 0.000 0.228 485 S C 1.951 176.576 174.600 0.041 0.000 1.020 485 S CA 0.898 59.164 58.200 0.110 0.000 0.965 485 S CB -0.506 62.752 63.200 0.097 0.000 0.798 485 S HN 0.696 nan 8.310 nan 0.000 0.488 486 V N 2.789 122.681 119.914 -0.038 0.000 2.278 486 V HA -0.193 3.927 4.120 0.001 0.000 0.251 486 V C 0.851 176.951 176.094 0.010 0.000 1.062 486 V CA 1.929 64.225 62.300 -0.007 0.000 1.038 486 V CB -0.294 31.511 31.823 -0.030 0.000 0.646 486 V HN 0.490 nan 8.190 nan 0.000 0.447 487 N N -0.729 117.971 118.700 -0.000 0.000 2.241 487 N HA 0.135 4.875 4.740 0.001 0.000 0.238 487 N C -0.353 175.162 175.510 0.008 0.000 1.244 487 N CA 0.441 53.493 53.050 0.004 0.000 0.880 487 N CB 0.463 38.952 38.487 0.003 0.000 1.179 487 N HN 0.493 nan 8.380 nan 0.000 0.513 488 D N 1.178 121.598 120.400 0.034 0.000 2.708 488 D HA -0.169 4.471 4.640 0.001 0.000 0.236 488 D C -0.176 176.149 176.300 0.041 0.000 1.146 488 D CA 1.090 55.135 54.000 0.075 0.000 0.662 488 D CB -0.710 40.128 40.800 0.063 0.000 1.059 488 D HN 0.370 nan 8.370 nan 0.000 0.428 489 K N 0.076 120.478 120.400 0.002 0.000 2.237 489 K HA 0.369 4.689 4.320 0.001 0.000 0.270 489 K C 1.072 177.636 176.600 -0.059 0.000 1.015 489 K CA -0.113 56.162 56.287 -0.020 0.000 0.949 489 K CB 1.029 33.510 32.500 -0.031 0.000 0.976 489 K HN 0.128 nan 8.250 nan 0.000 0.472 490 G N 3.215 111.959 108.800 -0.095 0.000 2.546 490 G HA2 0.213 4.174 3.960 0.001 0.000 0.320 490 G HA3 0.213 4.174 3.960 0.001 0.000 0.320 490 G C 0.991 175.726 174.900 -0.275 0.000 0.984 490 G CA -0.432 44.486 45.100 -0.302 0.000 1.183 490 G HN 0.529 nan 8.290 nan 0.000 0.443 491 L N 1.434 122.473 121.223 -0.306 0.000 1.955 491 L HA 0.094 4.435 4.340 0.001 0.000 0.213 491 L C 1.781 178.547 176.870 -0.173 0.000 1.072 491 L CA 1.316 56.047 54.840 -0.182 0.000 0.755 491 L CB -0.364 41.614 42.059 -0.135 0.000 0.888 491 L HN 0.692 nan 8.230 nan 0.000 0.432 492 R N -2.108 118.253 120.500 -0.233 0.000 2.728 492 R HA 0.496 4.837 4.340 0.001 0.000 0.274 492 R C -1.653 174.514 176.300 -0.223 0.000 1.030 492 R CA -0.933 55.057 56.100 -0.183 0.000 0.876 492 R CB 1.508 31.733 30.300 -0.126 0.000 1.259 492 R HN -0.253 nan 8.270 nan 0.000 0.468 493 V N 2.854 122.664 119.914 -0.173 0.000 2.406 493 V HA 0.194 4.315 4.120 0.001 0.000 0.272 493 V C 1.211 177.164 176.094 -0.235 0.000 1.043 493 V CA -0.432 61.764 62.300 -0.172 0.000 0.915 493 V CB 1.162 32.920 31.823 -0.108 0.000 0.988 493 V HN 0.646 nan 8.190 nan 0.000 0.466 494 L N 2.688 123.696 121.223 -0.359 0.000 2.202 494 L HA 0.291 4.632 4.340 0.001 0.000 0.205 494 L C 0.716 177.307 176.870 -0.465 0.000 1.083 494 L CA 0.700 55.132 54.840 -0.680 0.000 0.790 494 L CB 0.193 41.422 42.059 -1.382 0.000 0.942 494 L HN 0.676 nan 8.230 nan 0.000 0.452 495 E N -0.036 120.031 120.200 -0.220 0.000 2.343 495 E HA 0.101 4.452 4.350 0.001 0.000 0.286 495 E C -1.266 175.371 176.600 0.062 0.000 0.915 495 E CA -0.384 55.993 56.400 -0.039 0.000 0.784 495 E CB 1.136 30.820 29.700 -0.027 0.000 1.251 495 E HN 0.159 nan 8.360 nan 0.000 0.407 496 D N 3.028 123.448 120.400 0.032 0.000 2.469 496 D HA 0.156 4.797 4.640 0.001 0.000 0.215 496 D C -0.278 176.032 176.300 0.018 0.000 1.154 496 D CA -0.263 53.751 54.000 0.022 0.000 0.832 496 D CB -0.052 40.741 40.800 -0.012 0.000 1.008 496 D HN 0.451 nan 8.370 nan 0.000 0.506 497 N N 0.483 119.209 118.700 0.043 0.000 2.708 497 N HA -0.225 4.516 4.740 0.001 0.000 0.249 497 N C 0.965 176.480 175.510 0.008 0.000 1.097 497 N CA 0.968 54.038 53.050 0.033 0.000 0.710 497 N CB -1.328 37.172 38.487 0.023 0.000 1.032 497 N HN 0.501 nan 8.380 nan 0.000 0.551 498 S N -1.153 114.552 115.700 0.008 0.000 2.399 498 S HA -0.035 4.435 4.470 0.001 0.000 0.231 498 S C 2.096 176.706 174.600 0.017 0.000 1.022 498 S CA 0.942 59.143 58.200 0.001 0.000 0.983 498 S CB -0.109 63.092 63.200 0.001 0.000 0.803 498 S HN 0.512 nan 8.310 nan 0.000 0.480 499 A N 2.082 124.922 122.820 0.034 0.000 1.877 499 A HA 0.062 4.383 4.320 0.001 0.000 0.216 499 A C 2.226 179.849 177.584 0.065 0.000 1.186 499 A CA 1.591 53.658 52.037 0.049 0.000 0.620 499 A CB -0.914 18.121 19.000 0.057 0.000 0.822 499 A HN 0.517 nan 8.150 nan 0.000 0.443 500 L N 0.440 121.704 121.223 0.069 0.000 2.046 500 L HA -0.152 4.189 4.340 0.001 0.000 0.208 500 L C 1.929 178.824 176.870 0.042 0.000 1.077 500 L CA 2.827 57.722 54.840 0.092 0.000 0.747 500 L CB -0.782 41.334 42.059 0.094 0.000 0.896 500 L HN 0.516 nan 8.230 nan 0.000 0.432 501 D N -0.483 119.915 120.400 -0.005 0.000 2.104 501 D HA -0.300 4.341 4.640 0.001 0.000 0.194 501 D C 2.263 178.558 176.300 -0.009 0.000 0.994 501 D CA 1.815 55.793 54.000 -0.037 0.000 0.830 501 D CB -0.162 40.608 40.800 -0.051 0.000 0.959 501 D HN 0.389 nan 8.370 nan 0.000 0.452 502 K N -0.512 119.898 120.400 0.016 0.000 2.057 502 K HA -0.171 4.149 4.320 0.001 0.000 0.207 502 K C 2.198 178.827 176.600 0.049 0.000 1.049 502 K CA 1.223 57.527 56.287 0.029 0.000 0.931 502 K CB -0.129 32.392 32.500 0.036 0.000 0.714 502 K HN 0.250 nan 8.250 nan 0.000 0.440 503 M N 0.722 120.371 119.600 0.082 0.000 2.099 503 M HA -0.132 4.349 4.480 0.001 0.000 0.262 503 M C 2.055 178.388 176.300 0.055 0.000 1.067 503 M CA 1.372 56.756 55.300 0.141 0.000 1.124 503 M CB -0.181 32.592 32.600 0.287 0.000 1.353 503 M HN 0.135 nan 8.290 nan 0.000 0.410 504 L N -0.185 121.013 121.223 -0.041 0.000 2.450 504 L HA -0.199 4.142 4.340 0.001 0.000 0.224 504 L C 2.230 179.060 176.870 -0.067 0.000 1.149 504 L CA 0.877 55.632 54.840 -0.143 0.000 0.816 504 L CB -0.672 41.307 42.059 -0.133 0.000 0.932 504 L HN 0.437 nan 8.230 nan 0.000 0.449 505 Q N -0.089 119.699 119.800 -0.020 0.000 2.291 505 Q HA -0.099 4.242 4.340 0.001 0.000 0.205 505 Q C 1.091 177.102 176.000 0.017 0.000 0.970 505 Q CA 0.798 56.600 55.803 -0.002 0.000 0.876 505 Q CB 0.076 28.819 28.738 0.008 0.000 0.935 505 Q HN 0.520 nan 8.270 nan 0.000 0.455 506 N N -0.142 118.577 118.700 0.032 0.000 2.276 506 N HA 0.080 4.821 4.740 0.001 0.000 0.212 506 N C -0.864 174.684 175.510 0.063 0.000 1.127 506 N CA 0.239 53.324 53.050 0.057 0.000 0.834 506 N CB 1.149 39.686 38.487 0.084 0.000 1.014 506 N HN -0.063 nan 8.380 nan 0.000 0.491 507 V N 0.832 120.761 119.914 0.024 0.000 2.735 507 V HA 0.231 4.352 4.120 0.001 0.000 0.310 507 V C 0.037 176.143 176.094 0.020 0.000 1.061 507 V CA -0.891 61.427 62.300 0.031 0.000 0.913 507 V CB 2.696 34.490 31.823 -0.048 0.000 1.005 507 V HN -0.020 nan 8.190 nan 0.000 0.428 508 Q N 4.110 123.940 119.800 0.049 0.000 2.534 508 Q HA 0.338 4.678 4.340 0.001 0.000 0.223 508 Q C -0.478 175.508 176.000 -0.024 0.000 1.239 508 Q CA -0.193 55.614 55.803 0.006 0.000 0.936 508 Q CB 0.454 29.221 28.738 0.049 0.000 1.457 508 Q HN 0.519 nan 8.270 nan 0.000 0.547 509 M N 3.611 123.177 119.600 -0.058 0.000 2.255 509 M HA 0.366 4.846 4.480 0.001 0.000 0.336 509 M C -1.950 174.288 176.300 -0.105 0.000 1.135 509 M CA -2.352 52.904 55.300 -0.073 0.000 1.145 509 M CB 0.088 32.646 32.600 -0.070 0.000 1.473 509 M HN 0.300 nan 8.290 nan 0.000 0.462 510 P HA 0.272 nan 4.420 nan 0.000 0.276 510 P C -0.851 176.373 177.300 -0.125 0.000 1.261 510 P CA -0.348 62.670 63.100 -0.136 0.000 0.800 510 P CB 0.709 32.318 31.700 -0.152 0.000 1.066 511 S N -0.792 114.820 115.700 -0.145 0.000 2.704 511 S HA 0.633 5.103 4.470 0.001 0.000 0.305 511 S C -0.572 173.940 174.600 -0.146 0.000 1.107 511 S CA -0.796 57.331 58.200 -0.123 0.000 0.993 511 S CB 1.753 64.878 63.200 -0.125 0.000 1.110 511 S HN 0.510 nan 8.310 nan 0.000 0.534 512 K N 0.603 120.939 120.400 -0.108 0.000 2.463 512 K HA 0.394 4.715 4.320 0.001 0.000 0.255 512 K C -1.278 175.266 176.600 -0.093 0.000 0.942 512 K CA -0.503 55.722 56.287 -0.103 0.000 0.814 512 K CB 1.306 33.769 32.500 -0.063 0.000 1.122 512 K HN 0.713 nan 8.250 nan 0.000 0.425 513 K N 5.347 125.675 120.400 -0.119 0.000 2.235 513 K HA 0.311 4.632 4.320 0.001 0.000 0.266 513 K C -1.526 175.029 176.600 -0.075 0.000 0.980 513 K CA -0.812 55.411 56.287 -0.105 0.000 0.849 513 K CB 0.997 33.400 32.500 -0.161 0.000 1.098 513 K HN 0.504 nan 8.250 nan 0.000 0.445 514 L N 4.186 125.386 121.223 -0.038 0.000 2.325 514 L HA 0.524 4.865 4.340 0.001 0.000 0.281 514 L C -1.153 175.713 176.870 -0.007 0.000 1.004 514 L CA 0.129 54.977 54.840 0.013 0.000 0.823 514 L CB 1.401 43.533 42.059 0.123 0.000 1.236 514 L HN 0.805 nan 8.230 nan 0.000 0.415 515 D N 2.713 122.937 120.400 -0.293 0.000 2.825 515 D HA 0.518 5.159 4.640 0.001 0.000 0.327 515 D C -1.603 174.355 176.300 -0.569 0.000 1.277 515 D CA -0.002 53.748 54.000 -0.416 0.000 0.950 515 D CB 1.905 42.397 40.800 -0.515 0.000 1.438 515 D HN 0.266 nan 8.370 nan 0.000 0.526 516 F N -0.137 119.486 119.950 -0.545 0.000 2.643 516 F HA 0.712 5.240 4.527 0.001 0.000 0.314 516 F C -0.917 174.959 175.800 0.128 0.000 1.096 516 F CA -1.039 56.754 58.000 -0.345 0.000 0.953 516 F CB 0.967 39.325 39.000 -1.069 0.000 1.345 516 F HN 0.255 nan 8.300 nan 0.000 0.468 517 I N 0.143 120.998 120.570 0.475 0.000 2.892 517 I HA 0.673 4.844 4.170 0.001 0.000 0.306 517 I C -1.371 174.999 176.117 0.421 0.000 1.078 517 I CA -1.247 60.257 61.300 0.339 0.000 1.032 517 I CB 2.486 40.644 38.000 0.264 0.000 1.229 517 I HN 0.646 nan 8.210 nan 0.000 0.435 518 I N 4.501 125.248 120.570 0.295 0.000 2.354 518 I HA 0.413 4.584 4.170 0.001 0.000 0.292 518 I C -0.791 175.477 176.117 0.251 0.000 0.989 518 I CA -0.559 60.908 61.300 0.278 0.000 1.188 518 I CB 1.724 39.845 38.000 0.202 0.000 1.342 518 I HN 0.360 nan 8.210 nan 0.000 0.457 519 L N 6.452 127.887 121.223 0.353 0.000 2.372 519 L HA 0.390 4.731 4.340 0.001 0.000 0.273 519 L C -0.286 176.733 176.870 0.249 0.000 0.989 519 L CA -0.644 54.360 54.840 0.273 0.000 0.841 519 L CB 1.191 43.410 42.059 0.267 0.000 1.225 519 L HN 0.638 nan 8.230 nan 0.000 0.414 520 N N 2.593 121.373 118.700 0.133 0.000 2.708 520 N HA -0.210 4.530 4.740 0.001 0.000 0.255 520 N C 0.335 175.896 175.510 0.085 0.000 1.046 520 N CA 1.040 54.145 53.050 0.092 0.000 0.715 520 N CB -0.466 38.067 38.487 0.078 0.000 0.895 520 N HN 0.783 nan 8.380 nan 0.000 0.545 521 E N -3.282 116.961 120.200 0.073 0.000 3.799 521 E HA -0.227 4.124 4.350 0.001 0.000 0.320 521 E C -0.412 176.201 176.600 0.021 0.000 0.760 521 E CA 1.952 58.378 56.400 0.044 0.000 1.153 521 E CB -1.326 28.389 29.700 0.025 0.000 1.589 521 E HN 0.613 nan 8.360 nan 0.000 0.448 522 T N 0.865 115.446 114.554 0.044 0.000 2.823 522 T HA 0.447 4.798 4.350 0.001 0.000 0.279 522 T C -0.137 174.460 174.700 -0.171 0.000 0.998 522 T CA -0.914 61.120 62.100 -0.109 0.000 0.994 522 T CB 1.299 70.054 68.868 -0.189 0.000 0.960 522 T HN 0.166 nan 8.240 nan 0.000 0.448 523 K N 2.307 122.524 120.400 -0.305 0.000 2.205 523 K HA 0.588 4.909 4.320 0.001 0.000 0.279 523 K C -1.319 175.008 176.600 -0.455 0.000 1.027 523 K CA -0.519 55.622 56.287 -0.243 0.000 0.932 523 K CB 0.767 32.971 32.500 -0.494 0.000 1.032 523 K HN 0.369 nan 8.250 nan 0.000 0.466 524 F N 1.494 121.524 119.950 0.134 0.000 2.529 524 F HA 0.343 4.870 4.527 0.001 0.000 0.320 524 F C -0.769 175.160 175.800 0.215 0.000 1.118 524 F CA -0.771 57.326 58.000 0.161 0.000 0.915 524 F CB 1.198 40.307 39.000 0.182 0.000 1.161 524 F HN 0.529 nan 8.300 nan 0.000 0.445 525 W N 3.425 124.908 121.300 0.304 0.000 2.303 525 W HA 0.527 5.187 4.660 0.001 0.000 0.334 525 W C -0.620 176.157 176.519 0.431 0.000 1.197 525 W CA -0.569 56.975 57.345 0.331 0.000 1.262 525 W CB 0.588 30.151 29.460 0.173 0.000 1.153 525 W HN 0.446 nan 8.180 nan 0.000 0.596 526 Y N -0.615 120.044 120.300 0.597 0.000 2.625 526 Y HA 0.643 5.194 4.550 0.001 0.000 0.338 526 Y C -1.060 175.066 175.900 0.377 0.000 1.123 526 Y CA -1.885 56.548 58.100 0.555 0.000 1.046 526 Y CB 1.100 40.032 38.460 0.787 0.000 1.299 526 Y HN 0.560 nan 8.280 nan 0.000 0.464 527 Q N 2.088 122.144 119.800 0.428 0.000 2.421 527 Q HA 0.763 5.104 4.340 0.001 0.000 0.280 527 Q C -1.802 174.323 176.000 0.208 0.000 1.085 527 Q CA -1.174 54.748 55.803 0.199 0.000 0.807 527 Q CB 3.363 32.185 28.738 0.139 0.000 1.405 527 Q HN 0.855 nan 8.270 nan 0.000 0.419 528 M N 2.400 122.037 119.600 0.062 0.000 2.327 528 M HA 0.430 4.910 4.480 0.001 0.000 0.298 528 M C -1.259 174.967 176.300 -0.125 0.000 1.065 528 M CA -0.959 54.313 55.300 -0.047 0.000 0.916 528 M CB 2.187 34.709 32.600 -0.130 0.000 1.630 528 M HN 0.613 nan 8.290 nan 0.000 0.442 529 I N 5.124 125.620 120.570 -0.124 0.000 2.291 529 I HA 0.324 4.494 4.170 0.001 0.000 0.292 529 I C -0.332 175.639 176.117 -0.242 0.000 1.064 529 I CA -0.235 60.969 61.300 -0.159 0.000 1.269 529 I CB 0.114 38.042 38.000 -0.120 0.000 1.418 529 I HN 0.623 nan 8.210 nan 0.000 0.485 530 L N 8.461 129.487 121.223 -0.328 0.000 2.312 530 L HA 0.425 4.766 4.340 0.001 0.000 0.281 530 L C -2.131 174.555 176.870 -0.307 0.000 1.070 530 L CA -1.751 52.801 54.840 -0.479 0.000 0.805 530 L CB 0.964 42.562 42.059 -0.767 0.000 1.174 530 L HN 0.254 nan 8.230 nan 0.000 0.434 531 P HA 0.088 nan 4.420 nan 0.000 0.270 531 P C -2.462 174.797 177.300 -0.068 0.000 1.223 531 P CA -0.839 62.196 63.100 -0.110 0.000 0.785 531 P CB -0.066 31.622 31.700 -0.020 0.000 0.923 532 P HA -0.054 nan 4.420 nan 0.000 0.268 532 P C -0.252 176.954 177.300 -0.157 0.000 1.208 532 P CA 0.745 63.695 63.100 -0.251 0.000 0.777 532 P CB -0.186 31.330 31.700 -0.306 0.000 0.875 533 H N -1.052 118.059 119.070 0.068 0.000 2.655 533 H HA -0.221 4.335 4.556 0.001 0.000 0.313 533 H C 0.145 175.537 175.328 0.107 0.000 1.141 533 H CA -0.016 56.075 56.048 0.072 0.000 1.138 533 H CB -2.274 27.521 29.762 0.055 0.000 1.446 533 H HN 0.372 nan 8.280 nan 0.000 0.415 534 F N 2.508 122.453 119.950 -0.007 0.000 2.604 534 F HA 0.066 4.594 4.527 0.001 0.000 0.393 534 F C 0.600 176.421 175.800 0.035 0.000 1.043 534 F CA 0.040 58.000 58.000 -0.067 0.000 1.227 534 F CB 0.468 39.318 39.000 -0.251 0.000 1.016 534 F HN 0.169 nan 8.300 nan 0.000 0.556 535 D N 6.272 126.353 120.400 -0.531 0.000 2.461 535 D HA 0.133 4.774 4.640 0.001 0.000 0.240 535 D C 0.599 176.533 176.300 -0.610 0.000 1.094 535 D CA -0.564 53.190 54.000 -0.410 0.000 0.868 535 D CB 0.956 41.679 40.800 -0.128 0.000 1.062 535 D HN 0.680 nan 8.370 nan 0.000 0.530 536 K N 0.911 120.936 120.400 -0.626 0.000 2.520 536 K HA -0.122 4.198 4.320 0.001 0.000 0.197 536 K C 1.141 177.719 176.600 -0.037 0.000 1.043 536 K CA 0.969 57.075 56.287 -0.301 0.000 0.944 536 K CB -0.150 32.312 32.500 -0.063 0.000 0.770 536 K HN 0.211 nan 8.250 nan 0.000 0.480 537 S N -0.046 115.603 115.700 -0.085 0.000 2.575 537 S HA 0.100 4.571 4.470 0.001 0.000 0.215 537 S C 0.220 174.786 174.600 -0.057 0.000 0.966 537 S CA -0.519 57.657 58.200 -0.041 0.000 0.911 537 S CB 0.025 63.195 63.200 -0.050 0.000 0.780 537 S HN 0.210 nan 8.310 nan 0.000 0.514 538 K N 1.049 121.397 120.400 -0.086 0.000 2.185 538 K HA 0.481 4.801 4.320 0.001 0.000 0.240 538 K C -0.700 175.837 176.600 -0.105 0.000 0.983 538 K CA -0.921 55.259 56.287 -0.178 0.000 0.873 538 K CB 0.868 33.133 32.500 -0.392 0.000 1.118 538 K HN -0.027 nan 8.250 nan 0.000 0.441 539 K N 2.261 122.548 120.400 -0.187 0.000 2.293 539 K HA 0.288 4.609 4.320 0.001 0.000 0.267 539 K C -0.970 175.535 176.600 -0.159 0.000 1.010 539 K CA -0.374 55.875 56.287 -0.065 0.000 0.875 539 K CB 0.818 33.273 32.500 -0.075 0.000 1.106 539 K HN 0.495 nan 8.250 nan 0.000 0.450 540 Y N 2.694 123.021 120.300 0.044 0.000 2.457 540 Y HA 0.304 4.855 4.550 0.001 0.000 0.333 540 Y C -1.807 174.024 175.900 -0.115 0.000 1.119 540 Y CA -2.296 55.803 58.100 -0.002 0.000 1.143 540 Y CB 1.261 39.788 38.460 0.111 0.000 1.230 540 Y HN 0.443 nan 8.280 nan 0.000 0.469 541 P HA 0.192 nan 4.420 nan 0.000 0.274 541 P C -1.211 175.917 177.300 -0.287 0.000 1.231 541 P CA -0.245 62.548 63.100 -0.512 0.000 0.790 541 P CB 1.705 32.667 31.700 -1.230 0.000 0.951 542 L N 2.519 123.628 121.223 -0.189 0.000 2.385 542 L HA 0.533 4.873 4.340 0.001 0.000 0.273 542 L C -1.300 175.748 176.870 0.297 0.000 0.990 542 L CA -1.188 53.691 54.840 0.065 0.000 0.821 542 L CB 1.837 43.945 42.059 0.080 0.000 1.279 542 L HN 0.152 nan 8.230 nan 0.000 0.412 543 L N 5.465 126.882 121.223 0.323 0.000 2.298 543 L HA 0.490 4.831 4.340 0.001 0.000 0.284 543 L C -1.231 175.867 176.870 0.379 0.000 1.013 543 L CA -0.318 54.772 54.840 0.416 0.000 0.824 543 L CB 1.520 43.781 42.059 0.337 0.000 1.221 543 L HN 0.640 nan 8.230 nan 0.000 0.418 544 L N 5.222 126.710 121.223 0.442 0.000 2.283 544 L HA 0.375 4.716 4.340 0.001 0.000 0.287 544 L C -0.497 176.601 176.870 0.379 0.000 1.073 544 L CA 0.232 55.319 54.840 0.411 0.000 0.822 544 L CB 0.415 42.756 42.059 0.469 0.000 1.186 544 L HN 0.652 nan 8.230 nan 0.000 0.436 545 D N 4.546 125.148 120.400 0.337 0.000 2.347 545 D HA 0.256 4.897 4.640 0.001 0.000 0.235 545 D C -0.952 175.422 176.300 0.123 0.000 1.149 545 D CA 0.065 54.187 54.000 0.202 0.000 0.850 545 D CB 1.244 42.231 40.800 0.312 0.000 1.061 545 D HN 0.331 nan 8.370 nan 0.000 0.487 546 V N 5.286 125.204 119.914 0.007 0.000 2.864 546 V HA 0.472 4.592 4.120 0.001 0.000 0.314 546 V C -0.972 175.197 176.094 0.124 0.000 1.073 546 V CA -0.463 61.903 62.300 0.110 0.000 0.956 546 V CB 1.897 33.791 31.823 0.119 0.000 1.023 546 V HN 0.673 nan 8.190 nan 0.000 0.435 547 Y N 4.660 125.025 120.300 0.108 0.000 3.183 547 Y HA 0.555 5.106 4.550 0.001 0.000 0.200 547 Y C 1.567 177.590 175.900 0.205 0.000 0.912 547 Y CA 1.220 59.407 58.100 0.146 0.000 1.642 547 Y CB 0.325 38.853 38.460 0.113 0.000 1.447 547 Y HN 1.076 nan 8.280 nan 0.000 0.421 548 A N 0.848 123.777 122.820 0.183 0.000 2.979 548 A HA -0.174 4.147 4.320 0.001 0.000 0.260 548 A C 0.926 178.362 177.584 -0.248 0.000 1.282 548 A CA 0.911 52.989 52.037 0.070 0.000 0.971 548 A CB -2.529 16.560 19.000 0.148 0.000 1.124 548 A HN 0.933 nan 8.150 nan 0.000 0.826 549 G N -0.414 108.032 108.800 -0.591 0.000 2.651 549 G HA2 0.484 4.444 3.960 0.001 0.000 0.260 549 G HA3 0.484 4.444 3.960 0.001 0.000 0.260 549 G C -1.863 172.743 174.900 -0.489 0.000 1.216 549 G CA -0.526 43.806 45.100 -1.279 0.000 0.913 549 G HN 0.431 nan 8.290 nan 0.000 0.535 550 P HA 0.053 nan 4.420 nan 0.000 0.267 550 P C 0.555 177.727 177.300 -0.215 0.000 1.209 550 P CA 0.192 63.043 63.100 -0.415 0.000 0.763 550 P CB 0.867 31.966 31.700 -1.002 0.000 0.816 551 C N 2.219 121.452 119.300 -0.112 0.000 4.475 551 C HA -0.147 4.313 4.460 0.001 0.000 0.280 551 C C 1.107 176.103 174.990 0.009 0.000 1.338 551 C CA 1.159 60.072 59.018 -0.175 0.000 1.893 551 C CB -2.628 24.858 27.740 -0.423 0.000 1.299 551 C HN 0.822 nan 8.230 nan 0.000 0.767 552 S N 0.067 115.844 115.700 0.127 0.000 2.614 552 S HA 0.562 5.033 4.470 0.001 0.000 0.265 552 S C -0.597 174.154 174.600 0.252 0.000 1.303 552 S CA 0.193 58.548 58.200 0.258 0.000 1.000 552 S CB 1.612 65.035 63.200 0.372 0.000 0.935 552 S HN 0.836 nan 8.310 nan 0.000 0.551 553 Q N -0.076 119.901 119.800 0.294 0.000 2.334 553 Q HA 0.353 4.694 4.340 0.001 0.000 0.249 553 Q C -0.848 175.282 176.000 0.217 0.000 0.909 553 Q CA -0.597 55.379 55.803 0.287 0.000 0.823 553 Q CB 1.061 30.038 28.738 0.397 0.000 1.353 553 Q HN 0.694 nan 8.270 nan 0.000 0.433 554 K N 1.051 121.576 120.400 0.208 0.000 2.373 554 K HA 0.347 4.668 4.320 0.001 0.000 0.200 554 K C -0.488 176.224 176.600 0.186 0.000 1.054 554 K CA 0.277 56.677 56.287 0.188 0.000 1.065 554 K CB 1.646 34.281 32.500 0.225 0.000 0.886 554 K HN 0.501 nan 8.250 nan 0.000 0.546 555 A N 2.740 125.682 122.820 0.204 0.000 2.277 555 A HA 0.451 4.772 4.320 0.001 0.000 0.318 555 A C -0.763 176.904 177.584 0.138 0.000 1.339 555 A CA -0.478 51.685 52.037 0.210 0.000 0.875 555 A CB 0.154 19.345 19.000 0.318 0.000 1.158 555 A HN 0.241 nan 8.150 nan 0.000 0.514 556 D N -0.074 120.377 120.400 0.085 0.000 2.752 556 D HA 0.416 5.057 4.640 0.001 0.000 0.313 556 D C 0.380 176.689 176.300 0.015 0.000 1.225 556 D CA 0.297 54.329 54.000 0.053 0.000 0.976 556 D CB 0.263 41.093 40.800 0.050 0.000 1.443 556 D HN 0.170 nan 8.370 nan 0.000 0.515 557 T N -2.273 112.297 114.554 0.027 0.000 3.186 557 T HA 0.333 4.684 4.350 0.001 0.000 0.257 557 T C 0.389 175.034 174.700 -0.091 0.000 1.029 557 T CA -0.380 61.727 62.100 0.012 0.000 0.916 557 T CB -0.670 68.253 68.868 0.092 0.000 1.041 557 T HN 0.268 nan 8.240 nan 0.000 0.562 558 V N 2.580 122.335 119.914 -0.265 0.000 2.614 558 V HA 0.339 4.459 4.120 0.001 0.000 0.291 558 V C 0.069 176.094 176.094 -0.115 0.000 1.049 558 V CA -1.004 61.106 62.300 -0.316 0.000 1.038 558 V CB 0.161 31.675 31.823 -0.515 0.000 0.980 558 V HN 0.566 nan 8.190 nan 0.000 0.481 559 F N 6.507 126.355 119.950 -0.171 0.000 2.420 559 F HA 0.559 5.086 4.527 0.001 0.000 0.352 559 F C 0.481 176.224 175.800 -0.096 0.000 1.108 559 F CA -0.190 57.739 58.000 -0.119 0.000 1.162 559 F CB 0.231 39.170 39.000 -0.103 0.000 1.118 559 F HN 0.437 nan 8.300 nan 0.000 0.510 560 R N 6.522 126.519 120.500 -0.838 0.000 2.744 560 R HA 0.572 4.912 4.340 0.001 0.000 0.279 560 R C -1.625 174.237 176.300 -0.729 0.000 0.977 560 R CA -1.134 54.615 56.100 -0.585 0.000 0.906 560 R CB 2.213 32.349 30.300 -0.274 0.000 1.197 560 R HN 0.659 nan 8.270 nan 0.000 0.463 561 L N 3.824 124.817 121.223 -0.383 0.000 2.324 561 L HA 0.393 4.734 4.340 0.001 0.000 0.274 561 L C -0.763 176.112 176.870 0.007 0.000 1.012 561 L CA -0.663 54.024 54.840 -0.255 0.000 0.859 561 L CB 0.656 42.707 42.059 -0.013 0.000 1.224 561 L HN 0.776 nan 8.230 nan 0.000 0.429 562 N N 0.194 118.831 118.700 -0.105 0.000 3.418 562 N HA 0.164 4.904 4.740 0.001 0.000 0.316 562 N C 0.192 175.402 175.510 -0.499 0.000 1.601 562 N CA -0.889 52.020 53.050 -0.234 0.000 0.805 562 N CB 0.191 38.636 38.487 -0.069 0.000 1.873 562 N HN 0.277 nan 8.380 nan 0.000 0.615 563 W N 0.651 121.365 121.300 -0.977 0.000 2.338 563 W HA 0.086 4.746 4.660 0.001 0.000 0.304 563 W C 2.022 178.485 176.519 -0.093 0.000 1.212 563 W CA 2.946 59.932 57.345 -0.597 0.000 1.264 563 W CB -1.022 28.240 29.460 -0.330 0.000 1.142 563 W HN 0.708 nan 8.180 nan 0.000 0.512 564 A N -0.653 122.161 122.820 -0.009 0.000 1.972 564 A HA -0.196 4.124 4.320 0.001 0.000 0.219 564 A C 1.943 179.438 177.584 -0.148 0.000 1.169 564 A CA 2.402 54.368 52.037 -0.118 0.000 0.635 564 A CB -1.253 17.750 19.000 0.006 0.000 0.810 564 A HN 0.296 nan 8.150 nan 0.000 0.446 565 T N -1.204 113.276 114.554 -0.123 0.000 2.746 565 T HA -0.200 4.150 4.350 0.001 0.000 0.267 565 T C 1.808 176.535 174.700 0.046 0.000 1.039 565 T CA 1.764 63.763 62.100 -0.169 0.000 1.142 565 T CB -0.461 68.131 68.868 -0.461 0.000 0.866 565 T HN 0.721 nan 8.240 nan 0.000 0.444 566 Y N 1.886 122.274 120.300 0.147 0.000 2.220 566 Y HA 0.057 4.608 4.550 0.001 0.000 0.291 566 Y C 1.936 177.844 175.900 0.013 0.000 1.129 566 Y CA 0.802 59.035 58.100 0.223 0.000 1.161 566 Y CB -0.718 37.874 38.460 0.220 0.000 0.997 566 Y HN 0.099 nan 8.280 nan 0.000 0.522 567 L N 0.325 121.134 121.223 -0.691 0.000 2.079 567 L HA -0.222 4.119 4.340 0.001 0.000 0.210 567 L C 2.786 179.408 176.870 -0.414 0.000 1.081 567 L CA 1.376 55.745 54.840 -0.785 0.000 0.752 567 L CB -0.894 40.752 42.059 -0.687 0.000 0.896 567 L HN 0.445 nan 8.230 nan 0.000 0.433 568 A N -1.386 121.276 122.820 -0.264 0.000 1.878 568 A HA -0.148 4.173 4.320 0.001 0.000 0.213 568 A C 2.497 180.015 177.584 -0.109 0.000 1.192 568 A CA 1.523 53.461 52.037 -0.165 0.000 0.619 568 A CB -0.522 18.381 19.000 -0.161 0.000 0.837 568 A HN 0.317 nan 8.150 nan 0.000 0.446 569 S N -0.984 114.671 115.700 -0.076 0.000 2.345 569 S HA -0.118 4.353 4.470 0.001 0.000 0.220 569 S C 2.001 176.618 174.600 0.028 0.000 1.031 569 S CA 2.295 60.499 58.200 0.006 0.000 0.996 569 S CB -0.414 62.849 63.200 0.106 0.000 0.882 569 S HN 0.552 nan 8.310 nan 0.000 0.445 570 T N 1.277 115.826 114.554 -0.008 0.000 3.010 570 T HA 0.174 4.525 4.350 0.001 0.000 0.252 570 T C 1.332 176.003 174.700 -0.049 0.000 1.047 570 T CA 0.599 62.712 62.100 0.022 0.000 1.140 570 T CB -0.079 68.889 68.868 0.166 0.000 0.885 570 T HN 0.335 nan 8.240 nan 0.000 0.464 571 E N 1.191 121.269 120.200 -0.203 0.000 2.474 571 E HA 0.168 4.519 4.350 0.001 0.000 0.195 571 E C -0.058 176.526 176.600 -0.026 0.000 1.039 571 E CA -0.085 56.244 56.400 -0.119 0.000 0.881 571 E CB -0.246 29.326 29.700 -0.214 0.000 0.970 571 E HN 0.510 nan 8.360 nan 0.000 0.486 572 N N 0.692 119.389 118.700 -0.005 0.000 2.740 572 N HA -0.192 4.549 4.740 0.001 0.000 0.248 572 N C -0.836 174.757 175.510 0.138 0.000 1.062 572 N CA 0.330 53.445 53.050 0.109 0.000 0.704 572 N CB -1.233 37.369 38.487 0.191 0.000 0.968 572 N HN 0.222 nan 8.380 nan 0.000 0.547 573 I N 0.801 121.378 120.570 0.011 0.000 2.377 573 I HA 0.346 4.516 4.170 0.001 0.000 0.293 573 I C 0.569 176.661 176.117 -0.041 0.000 0.987 573 I CA -0.838 60.469 61.300 0.012 0.000 1.185 573 I CB 1.303 39.325 38.000 0.036 0.000 1.341 573 I HN 0.035 nan 8.210 nan 0.000 0.455 574 I N 6.522 127.075 120.570 -0.028 0.000 2.416 574 I HA 0.152 4.323 4.170 0.001 0.000 0.288 574 I C -0.405 175.698 176.117 -0.024 0.000 1.051 574 I CA -0.373 60.873 61.300 -0.090 0.000 1.375 574 I CB 1.030 38.983 38.000 -0.078 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.516 575 V N 6.853 126.741 119.914 -0.043 0.000 2.334 575 V HA 0.584 4.705 4.120 0.001 0.000 0.281 575 V C 0.362 176.485 176.094 0.049 0.000 1.016 575 V CA -0.477 61.848 62.300 0.042 0.000 0.832 575 V CB 1.093 32.939 31.823 0.037 0.000 0.999 575 V HN 0.831 nan 8.190 nan 0.000 0.439 576 A N 3.986 126.863 122.820 0.096 0.000 2.320 576 A HA 0.942 5.262 4.320 0.001 0.000 0.334 576 A C -0.087 177.650 177.584 0.255 0.000 1.147 576 A CA -0.484 51.610 52.037 0.096 0.000 0.820 576 A CB 1.584 20.509 19.000 -0.125 0.000 1.218 576 A HN 0.684 nan 8.150 nan 0.000 0.482 577 S N -0.287 115.611 115.700 0.330 0.000 2.549 577 S HA 0.736 5.206 4.470 0.001 0.000 0.280 577 S C -1.486 173.463 174.600 0.582 0.000 1.109 577 S CA -0.301 58.137 58.200 0.396 0.000 0.905 577 S CB 1.316 64.691 63.200 0.292 0.000 1.081 577 S HN 0.769 nan 8.310 nan 0.000 0.477 578 F N 1.773 121.954 119.950 0.384 0.000 2.569 578 F HA 0.517 5.045 4.527 0.001 0.000 0.312 578 F C -1.547 174.459 175.800 0.343 0.000 1.109 578 F CA -0.761 57.494 58.000 0.426 0.000 0.919 578 F CB 1.533 40.762 39.000 0.382 0.000 1.211 578 F HN 0.384 nan 8.300 nan 0.000 0.446 579 D N 4.269 124.468 120.400 -0.335 0.000 2.454 579 D HA 0.409 5.050 4.640 0.001 0.000 0.225 579 D C 0.264 176.233 176.300 -0.551 0.000 1.081 579 D CA 0.104 53.968 54.000 -0.227 0.000 0.864 579 D CB 1.535 42.369 40.800 0.058 0.000 1.040 579 D HN 0.784 nan 8.370 nan 0.000 0.517 580 G N 1.308 109.886 108.800 -0.370 0.000 2.890 580 G HA2 0.321 4.281 3.960 0.001 0.000 0.189 580 G HA3 0.321 4.281 3.960 0.001 0.000 0.189 580 G C 0.069 174.974 174.900 0.008 0.000 1.342 580 G CA -0.734 44.191 45.100 -0.293 0.000 1.026 580 G HN 0.286 nan 8.290 nan 0.000 0.579 581 R N -0.650 119.821 120.500 -0.049 0.000 2.640 581 R HA 0.349 4.690 4.340 0.001 0.000 0.270 581 R C 1.284 177.667 176.300 0.138 0.000 1.024 581 R CA 1.566 57.736 56.100 0.117 0.000 1.085 581 R CB 0.375 30.714 30.300 0.064 0.000 0.963 581 R HN 1.099 nan 8.270 nan 0.000 0.426 582 G N 1.100 109.983 108.800 0.138 0.000 2.234 582 G HA2 -0.334 3.626 3.960 0.001 0.000 0.235 582 G HA3 -0.334 3.626 3.960 0.001 0.000 0.235 582 G C 0.173 175.107 174.900 0.057 0.000 0.997 582 G CA 0.201 45.367 45.100 0.111 0.000 0.623 582 G HN 0.742 nan 8.290 nan 0.000 0.514 583 S N 0.357 116.098 115.700 0.069 0.000 2.600 583 S HA 0.660 5.131 4.470 0.001 0.000 0.265 583 S C 0.904 175.490 174.600 -0.024 0.000 1.325 583 S CA 0.540 58.771 58.200 0.051 0.000 1.002 583 S CB 1.701 64.961 63.200 0.099 0.000 0.921 583 S HN 1.678 nan 8.310 nan 0.000 0.554 584 G N -0.939 107.803 108.800 -0.097 0.000 2.613 584 G HA2 0.491 4.452 3.960 0.001 0.000 0.303 584 G HA3 0.491 4.452 3.960 0.001 0.000 0.303 584 G C -0.932 173.817 174.900 -0.251 0.000 1.312 584 G CA -0.988 43.883 45.100 -0.381 0.000 1.036 584 G HN 0.958 nan 8.290 nan 0.000 0.513 585 Y N -2.348 117.957 120.300 0.008 0.000 4.604 585 Y HA -0.222 4.328 4.550 0.001 0.000 0.230 585 Y C 1.431 177.340 175.900 0.015 0.000 1.066 585 Y CA 1.136 59.244 58.100 0.013 0.000 1.990 585 Y CB -2.177 36.307 38.460 0.040 0.000 1.619 585 Y HN 0.541 nan 8.280 nan 0.000 0.649 586 Q N -0.130 119.693 119.800 0.039 0.000 2.086 586 Q HA 0.507 4.847 4.340 0.001 0.000 0.220 586 Q C 0.937 176.850 176.000 -0.146 0.000 0.792 586 Q CA 0.215 56.049 55.803 0.052 0.000 1.062 586 Q CB 1.683 30.445 28.738 0.040 0.000 1.198 586 Q HN 0.580 nan 8.270 nan 0.000 0.466 587 G N 0.790 109.374 108.800 -0.360 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 -0.519 174.017 174.900 -0.608 0.000 1.246 587 G CA -0.578 44.035 45.100 -0.813 0.000 0.795 587 G HN 0.091 nan 8.290 nan 0.000 0.627 588 D N 0.115 120.109 120.400 -0.677 0.000 2.219 588 D HA -0.060 4.581 4.640 0.001 0.000 0.205 588 D C 2.248 178.274 176.300 -0.456 0.000 0.970 588 D CA 1.424 54.982 54.000 -0.737 0.000 0.851 588 D CB 0.060 40.398 40.800 -0.769 0.000 0.943 588 D HN 0.490 nan 8.370 nan 0.000 0.488 589 K N 1.018 121.206 120.400 -0.353 0.000 2.032 589 K HA -0.089 4.232 4.320 0.001 0.000 0.209 589 K C 1.919 178.447 176.600 -0.120 0.000 1.048 589 K CA 1.052 57.223 56.287 -0.192 0.000 0.927 589 K CB -0.466 31.933 32.500 -0.169 0.000 0.712 589 K HN 0.153 nan 8.250 nan 0.000 0.441 590 I N -0.274 120.214 120.570 -0.137 0.000 2.235 590 I HA -0.164 4.006 4.170 0.001 0.000 0.241 590 I C 2.593 178.701 176.117 -0.015 0.000 1.085 590 I CA 1.207 62.498 61.300 -0.015 0.000 1.378 590 I CB -0.203 37.798 38.000 0.002 0.000 1.076 590 I HN 0.258 nan 8.210 nan 0.000 0.415 591 M N 0.134 119.653 119.600 -0.136 0.000 2.108 591 M HA -0.263 4.218 4.480 0.001 0.000 0.261 591 M C 1.952 178.274 176.300 0.037 0.000 1.066 591 M CA 2.035 57.275 55.300 -0.099 0.000 1.107 591 M CB -0.354 32.084 32.600 -0.271 0.000 1.356 591 M HN 0.281 nan 8.290 nan 0.000 0.406 592 H N -0.865 118.099 119.070 -0.178 0.000 2.547 592 H HA 0.158 4.715 4.556 0.001 0.000 0.266 592 H C 1.857 177.197 175.328 0.021 0.000 0.988 592 H CA 0.126 56.071 56.048 -0.172 0.000 1.147 592 H CB 0.147 29.719 29.762 -0.317 0.000 1.365 592 H HN 0.531 nan 8.280 nan 0.000 0.589 593 A N 1.524 124.445 122.820 0.169 0.000 2.024 593 A HA -0.132 4.188 4.320 0.001 0.000 0.220 593 A C 2.017 179.809 177.584 0.347 0.000 1.164 593 A CA 1.094 53.250 52.037 0.198 0.000 0.643 593 A CB -0.662 18.405 19.000 0.112 0.000 0.806 593 A HN 0.587 nan 8.150 nan 0.000 0.451 594 I N -3.237 117.511 120.570 0.296 0.000 3.891 594 I HA 0.175 4.346 4.170 0.001 0.000 0.331 594 I C 0.338 176.553 176.117 0.164 0.000 1.406 594 I CA -0.503 60.931 61.300 0.223 0.000 1.139 594 I CB -0.576 37.523 38.000 0.165 0.000 1.056 594 I HN 0.209 nan 8.210 nan 0.000 0.399 595 N N 2.969 121.809 118.700 0.233 0.000 2.412 595 N HA -0.048 4.693 4.740 0.001 0.000 0.258 595 N C 0.211 175.752 175.510 0.052 0.000 1.236 595 N CA 0.221 53.408 53.050 0.227 0.000 0.882 595 N CB 0.354 38.921 38.487 0.133 0.000 1.066 595 N HN 0.401 nan 8.380 nan 0.000 0.465 596 R N 0.721 121.227 120.500 0.011 0.000 4.016 596 R HA -0.204 4.136 4.340 0.001 0.000 0.385 596 R C -0.335 175.823 176.300 -0.237 0.000 1.158 596 R CA 0.980 57.035 56.100 -0.075 0.000 1.117 596 R CB -0.963 29.312 30.300 -0.041 0.000 1.635 596 R HN 0.618 nan 8.270 nan 0.000 0.560 597 R N 0.573 120.919 120.500 -0.257 0.000 2.647 597 R HA 0.338 4.679 4.340 0.001 0.000 0.295 597 R C -0.447 175.785 176.300 -0.113 0.000 1.267 597 R CA -0.199 55.584 56.100 -0.528 0.000 1.386 597 R CB 0.652 30.644 30.300 -0.514 0.000 1.309 597 R HN 0.041 nan 8.270 nan 0.000 0.692 598 L N -0.275 120.969 121.223 0.035 0.000 2.483 598 L HA 0.239 4.579 4.340 0.001 0.000 0.275 598 L C 1.329 178.434 176.870 0.392 0.000 1.220 598 L CA 0.849 55.760 54.840 0.117 0.000 0.833 598 L CB 0.512 42.425 42.059 -0.243 0.000 1.102 598 L HN 0.719 nan 8.230 nan 0.000 0.490 599 G N 0.708 109.777 108.800 0.448 0.000 2.136 599 G HA2 -0.288 3.673 3.960 0.001 0.000 0.242 599 G HA3 -0.288 3.673 3.960 0.001 0.000 0.242 599 G C 0.457 175.433 174.900 0.127 0.000 0.989 599 G CA 0.584 45.883 45.100 0.332 0.000 0.682 599 G HN 0.851 nan 8.290 nan 0.000 0.522 600 T N -3.461 111.127 114.554 0.056 0.000 3.409 600 T HA 0.458 4.809 4.350 0.001 0.000 0.188 600 T C 1.669 176.331 174.700 -0.063 0.000 0.929 600 T CA 0.937 62.967 62.100 -0.117 0.000 1.184 600 T CB -0.063 68.549 68.868 -0.426 0.000 1.570 600 T HN 0.139 nan 8.240 nan 0.000 0.367 601 F N 3.431 123.415 119.950 0.058 0.000 2.171 601 F HA 0.099 4.627 4.527 0.001 0.000 0.300 601 F C 2.806 178.632 175.800 0.042 0.000 1.090 601 F CA 1.124 59.145 58.000 0.036 0.000 1.293 601 F CB -0.655 38.362 39.000 0.028 0.000 1.013 601 F HN 0.492 nan 8.300 nan 0.000 0.486 602 E N 0.762 121.109 120.200 0.246 0.000 2.150 602 E HA -0.121 4.230 4.350 0.001 0.000 0.193 602 E C 2.088 178.784 176.600 0.160 0.000 0.985 602 E CA 1.420 57.936 56.400 0.193 0.000 0.814 602 E CB -0.989 28.826 29.700 0.191 0.000 0.752 602 E HN 0.304 nan 8.360 nan 0.000 0.466 603 V N 1.633 121.617 119.914 0.117 0.000 2.346 603 V HA -0.193 3.928 4.120 0.001 0.000 0.244 603 V C 2.334 178.458 176.094 0.051 0.000 1.037 603 V CA 2.036 64.361 62.300 0.041 0.000 1.029 603 V CB -0.566 31.232 31.823 -0.041 0.000 0.663 603 V HN 0.199 nan 8.190 nan 0.000 0.454 604 E N 0.226 120.472 120.200 0.076 0.000 2.085 604 E HA -0.254 4.096 4.350 0.001 0.000 0.194 604 E C 1.911 178.544 176.600 0.055 0.000 0.994 604 E CA 1.612 58.056 56.400 0.074 0.000 0.801 604 E CB -0.204 29.574 29.700 0.129 0.000 0.743 604 E HN 0.570 nan 8.360 nan 0.000 0.453 605 D N 0.237 120.688 120.400 0.085 0.000 2.178 605 D HA -0.129 4.511 4.640 0.001 0.000 0.202 605 D C 1.955 178.283 176.300 0.047 0.000 0.974 605 D CA 0.731 54.769 54.000 0.064 0.000 0.841 605 D CB -0.090 40.783 40.800 0.121 0.000 0.953 605 D HN 0.115 nan 8.370 nan 0.000 0.478 606 Q N 0.117 119.990 119.800 0.121 0.000 2.119 606 Q HA -0.019 4.322 4.340 0.001 0.000 0.201 606 Q C 2.545 178.577 176.000 0.054 0.000 0.972 606 Q CA 0.506 56.379 55.803 0.116 0.000 0.847 606 Q CB -0.066 28.759 28.738 0.144 0.000 0.903 606 Q HN 0.429 nan 8.270 nan 0.000 0.433 607 I N 0.745 121.362 120.570 0.077 0.000 2.252 607 I HA -0.223 3.948 4.170 0.001 0.000 0.245 607 I C 2.367 178.443 176.117 -0.069 0.000 1.102 607 I CA 0.878 62.264 61.300 0.143 0.000 1.385 607 I CB -0.225 37.848 38.000 0.123 0.000 1.064 607 I HN 0.107 nan 8.210 nan 0.000 0.414 608 E N 1.227 121.336 120.200 -0.151 0.000 2.058 608 E HA -0.220 4.130 4.350 0.001 0.000 0.194 608 E C 2.288 178.591 176.600 -0.494 0.000 0.997 608 E CA 1.681 57.925 56.400 -0.262 0.000 0.801 608 E CB -0.234 29.328 29.700 -0.231 0.000 0.746 608 E HN 0.469 nan 8.360 nan 0.000 0.450 609 A N 1.026 123.390 122.820 -0.760 0.000 1.877 609 A HA -0.118 4.202 4.320 0.001 0.000 0.216 609 A C 2.420 179.215 177.584 -1.315 0.000 1.186 609 A CA 2.376 53.603 52.037 -1.350 0.000 0.620 609 A CB -0.707 17.173 19.000 -1.866 0.000 0.822 609 A HN 0.297 nan 8.150 nan 0.000 0.443 610 A N -0.487 121.968 122.820 -0.608 0.000 1.902 610 A HA -0.164 4.156 4.320 0.001 0.000 0.217 610 A C 2.240 179.611 177.584 -0.355 0.000 1.181 610 A CA 1.733 53.593 52.037 -0.294 0.000 0.623 610 A CB -0.514 18.428 19.000 -0.097 0.000 0.818 610 A HN 0.558 nan 8.150 nan 0.000 0.443 611 R N -0.429 119.855 120.500 -0.360 0.000 2.083 611 R HA -0.197 4.144 4.340 0.001 0.000 0.237 611 R C 2.437 178.564 176.300 -0.288 0.000 1.137 611 R CA 1.981 57.909 56.100 -0.287 0.000 0.951 611 R CB -0.308 29.853 30.300 -0.232 0.000 0.851 611 R HN 0.700 nan 8.270 nan 0.000 0.434 612 Q N -0.604 118.957 119.800 -0.399 0.000 2.020 612 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 612 Q C 2.099 177.960 176.000 -0.233 0.000 0.982 612 Q CA 1.505 57.103 55.803 -0.342 0.000 0.838 612 Q CB -0.230 28.248 28.738 -0.433 0.000 0.899 612 Q HN 0.315 nan 8.270 nan 0.000 0.423 613 F N 1.419 121.200 119.950 -0.282 0.000 2.154 613 F HA -0.209 4.319 4.527 0.001 0.000 0.301 613 F C 2.767 178.393 175.800 -0.290 0.000 1.087 613 F CA 1.435 59.260 58.000 -0.292 0.000 1.274 613 F CB -1.389 37.469 39.000 -0.237 0.000 1.009 613 F HN 0.110 nan 8.300 nan 0.000 0.485 614 S N -0.381 115.277 115.700 -0.071 0.000 2.507 614 S HA -0.113 4.357 4.470 0.001 0.000 0.235 614 S C 1.704 176.216 174.600 -0.147 0.000 0.988 614 S CA 0.651 58.775 58.200 -0.126 0.000 0.944 614 S CB -0.393 62.714 63.200 -0.156 0.000 0.762 614 S HN 0.360 nan 8.310 nan 0.000 0.526 615 K N 0.137 120.446 120.400 -0.152 0.000 2.314 615 K HA 0.270 4.591 4.320 0.001 0.000 0.198 615 K C 0.484 176.985 176.600 -0.164 0.000 1.045 615 K CA 0.118 56.322 56.287 -0.138 0.000 0.988 615 K CB -0.133 32.295 32.500 -0.119 0.000 0.783 615 K HN 0.491 nan 8.250 nan 0.000 0.484 616 M N 0.221 119.671 119.600 -0.251 0.000 2.248 616 M HA 0.012 4.493 4.480 0.001 0.000 0.337 616 M C 1.589 177.662 176.300 -0.378 0.000 1.121 616 M CA 0.106 55.176 55.300 -0.384 0.000 1.155 616 M CB 0.799 32.933 32.600 -0.776 0.000 1.514 616 M HN 0.142 nan 8.290 nan 0.000 0.452 617 G N 2.145 110.818 108.800 -0.210 0.000 2.479 617 G HA2 -0.198 3.763 3.960 0.001 0.000 0.220 617 G HA3 -0.198 3.763 3.960 0.001 0.000 0.220 617 G C 0.807 175.707 174.900 -0.000 0.000 1.115 617 G CA 0.707 45.768 45.100 -0.065 0.000 0.757 617 G HN 0.821 nan 8.290 nan 0.000 0.560 618 F N -0.279 119.733 119.950 0.104 0.000 2.693 618 F HA 0.611 5.139 4.527 0.001 0.000 0.303 618 F C -0.075 175.857 175.800 0.219 0.000 1.097 618 F CA -1.314 56.794 58.000 0.181 0.000 1.330 618 F CB -0.172 39.016 39.000 0.314 0.000 1.067 618 F HN -0.172 nan 8.300 nan 0.000 0.565 619 V N 1.458 121.321 119.914 -0.086 0.000 2.513 619 V HA 0.215 4.336 4.120 0.001 0.000 0.299 619 V C -0.762 175.305 176.094 -0.046 0.000 1.035 619 V CA -0.824 61.458 62.300 -0.030 0.000 0.889 619 V CB 1.630 33.358 31.823 -0.159 0.000 0.988 619 V HN 0.058 nan 8.190 nan 0.000 0.440 620 D N 3.229 123.606 120.400 -0.039 0.000 2.411 620 D HA 0.095 4.735 4.640 0.001 0.000 0.225 620 D C 1.330 177.581 176.300 -0.083 0.000 1.156 620 D CA -0.193 53.762 54.000 -0.075 0.000 0.874 620 D CB 0.441 41.178 40.800 -0.104 0.000 1.034 620 D HN 0.736 nan 8.370 nan 0.000 0.502 621 N N 2.547 121.199 118.700 -0.081 0.000 2.585 621 N HA -0.152 4.589 4.740 0.001 0.000 0.188 621 N C 0.667 176.137 175.510 -0.067 0.000 1.102 621 N CA 0.369 53.367 53.050 -0.086 0.000 0.920 621 N CB 0.181 38.612 38.487 -0.093 0.000 0.963 621 N HN 0.245 nan 8.380 nan 0.000 0.447 622 K N -0.003 120.367 120.400 -0.050 0.000 2.393 622 K HA 0.142 4.463 4.320 0.001 0.000 0.193 622 K C 0.160 176.770 176.600 0.015 0.000 1.026 622 K CA 0.220 56.495 56.287 -0.020 0.000 1.064 622 K CB 0.458 32.947 32.500 -0.019 0.000 0.833 622 K HN 0.140 nan 8.250 nan 0.000 0.521 623 R N 1.232 121.721 120.500 -0.017 0.000 2.681 623 R HA 0.364 4.705 4.340 0.001 0.000 0.277 623 R C -1.071 175.245 176.300 0.027 0.000 1.563 623 R CA -0.077 56.030 56.100 0.011 0.000 1.673 623 R CB 0.663 30.817 30.300 -0.243 0.000 1.258 623 R HN -0.021 nan 8.270 nan 0.000 0.650 624 I N 1.074 121.754 120.570 0.182 0.000 2.406 624 I HA 0.616 4.787 4.170 0.001 0.000 0.290 624 I C -0.027 176.365 176.117 0.459 0.000 0.999 624 I CA -0.750 60.685 61.300 0.225 0.000 1.124 624 I CB 1.926 39.911 38.000 -0.025 0.000 1.289 624 I HN 0.371 nan 8.210 nan 0.000 0.441 625 A N 6.967 130.157 122.820 0.616 0.000 2.389 625 A HA 0.941 5.262 4.320 0.001 0.000 0.293 625 A C -1.118 176.819 177.584 0.588 0.000 1.186 625 A CA -0.670 51.707 52.037 0.566 0.000 0.828 625 A CB 2.091 21.293 19.000 0.337 0.000 1.369 625 A HN 0.715 nan 8.150 nan 0.000 0.446 626 I N -0.175 120.653 120.570 0.430 0.000 2.775 626 I HA 0.657 4.828 4.170 0.001 0.000 0.295 626 I C -2.078 174.288 176.117 0.415 0.000 1.287 626 I CA -0.534 60.957 61.300 0.319 0.000 1.029 626 I CB 1.706 39.630 38.000 -0.127 0.000 1.282 626 I HN 0.958 nan 8.210 nan 0.000 0.426 627 W N 6.989 128.414 121.300 0.209 0.000 3.137 627 W HA 0.852 5.513 4.660 0.001 0.000 0.324 627 W C -1.508 175.163 176.519 0.254 0.000 1.253 627 W CA -0.919 56.567 57.345 0.235 0.000 1.183 627 W CB 1.128 30.787 29.460 0.332 0.000 1.424 627 W HN 0.846 nan 8.180 nan 0.000 0.566 628 G N 0.913 109.668 108.800 -0.074 0.000 2.601 628 G HA2 0.500 4.461 3.960 0.001 0.000 0.291 628 G HA3 0.500 4.461 3.960 0.001 0.000 0.291 628 G C -2.840 172.032 174.900 -0.047 0.000 1.456 628 G CA -0.694 44.214 45.100 -0.320 0.000 0.804 628 G HN 0.611 nan 8.290 nan 0.000 0.499 629 W N 1.002 122.190 121.300 -0.187 0.000 2.819 629 W HA 0.618 5.279 4.660 0.001 0.000 0.337 629 W C 0.720 177.280 176.519 0.068 0.000 1.077 629 W CA 0.283 57.609 57.345 -0.032 0.000 1.226 629 W CB 1.874 31.321 29.460 -0.022 0.000 1.419 629 W HN 1.280 nan 8.180 nan 0.000 0.502 630 S N 2.665 118.633 115.700 0.446 0.000 4.116 630 S HA -0.427 4.044 4.470 0.001 0.000 0.623 630 S C 1.106 175.826 174.600 0.200 0.000 1.933 630 S CA 1.738 60.201 58.200 0.438 0.000 4.224 630 S CB -1.834 61.768 63.200 0.670 0.000 0.208 630 S HN 0.755 nan 8.310 nan 0.000 0.527 631 Y N 2.447 122.760 120.300 0.022 0.000 2.256 631 Y HA 0.016 4.567 4.550 0.001 0.000 0.288 631 Y C 2.373 178.150 175.900 -0.204 0.000 1.155 631 Y CA 2.610 60.589 58.100 -0.202 0.000 1.203 631 Y CB -1.046 37.064 38.460 -0.584 0.000 0.980 631 Y HN 0.543 nan 8.280 nan 0.000 0.530 632 G N -1.053 107.723 108.800 -0.039 0.000 2.432 632 G HA2 -0.218 3.743 3.960 0.001 0.000 0.219 632 G HA3 -0.218 3.743 3.960 0.001 0.000 0.219 632 G C 1.901 176.828 174.900 0.045 0.000 1.135 632 G CA 0.741 45.859 45.100 0.031 0.000 0.767 632 G HN 0.577 nan 8.290 nan 0.000 0.550 633 G N -0.210 108.632 108.800 0.070 0.000 2.403 633 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 633 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 633 G C 1.582 176.515 174.900 0.055 0.000 1.154 633 G CA 1.017 46.151 45.100 0.057 0.000 0.784 633 G HN 0.403 nan 8.290 nan 0.000 0.538 634 Y N 1.544 121.754 120.300 -0.151 0.000 2.114 634 Y HA -0.146 4.405 4.550 0.001 0.000 0.284 634 Y C 2.759 178.574 175.900 -0.141 0.000 1.143 634 Y CA 1.675 59.637 58.100 -0.230 0.000 1.135 634 Y CB -0.545 37.624 38.460 -0.484 0.000 0.980 634 Y HN 0.024 nan 8.280 nan 0.000 0.499 635 V N -0.246 119.550 119.914 -0.196 0.000 2.343 635 V HA -0.327 3.794 4.120 0.001 0.000 0.247 635 V C 2.315 178.296 176.094 -0.189 0.000 1.051 635 V CA 2.427 64.593 62.300 -0.224 0.000 1.036 635 V CB -1.211 30.625 31.823 0.021 0.000 0.654 635 V HN 0.499 nan 8.190 nan 0.000 0.451 636 T N -0.270 114.228 114.554 -0.093 0.000 2.746 636 T HA -0.172 4.178 4.350 0.001 0.000 0.267 636 T C 2.143 176.785 174.700 -0.098 0.000 1.039 636 T CA 1.897 63.951 62.100 -0.077 0.000 1.142 636 T CB -0.222 68.682 68.868 0.061 0.000 0.866 636 T HN 0.518 nan 8.240 nan 0.000 0.444 637 S N 1.057 116.738 115.700 -0.033 0.000 2.368 637 S HA 0.012 4.483 4.470 0.001 0.000 0.224 637 S C 2.137 176.654 174.600 -0.138 0.000 1.029 637 S CA 0.847 59.056 58.200 0.014 0.000 0.988 637 S CB -0.247 63.024 63.200 0.120 0.000 0.838 637 S HN 0.308 nan 8.310 nan 0.000 0.462 638 M N 1.033 120.469 119.600 -0.274 0.000 2.159 638 M HA -0.035 4.446 4.480 0.001 0.000 0.263 638 M C 2.205 178.335 176.300 -0.282 0.000 1.063 638 M CA 1.092 56.205 55.300 -0.312 0.000 1.110 638 M CB -1.436 30.869 32.600 -0.491 0.000 1.374 638 M HN 0.173 nan 8.290 nan 0.000 0.411 639 V N 0.630 120.367 119.914 -0.295 0.000 2.270 639 V HA -0.243 3.878 4.120 0.001 0.000 0.245 639 V C 2.508 178.384 176.094 -0.364 0.000 1.043 639 V CA 1.435 63.553 62.300 -0.303 0.000 1.014 639 V CB -0.676 30.895 31.823 -0.420 0.000 0.645 639 V HN 0.403 nan 8.190 nan 0.000 0.447 640 L N 0.466 121.401 121.223 -0.479 0.000 2.265 640 L HA -0.072 4.269 4.340 0.001 0.000 0.215 640 L C 2.155 178.424 176.870 -1.002 0.000 1.117 640 L CA 1.410 55.864 54.840 -0.643 0.000 0.782 640 L CB -0.680 40.963 42.059 -0.693 0.000 0.914 640 L HN 0.494 nan 8.230 nan 0.000 0.441 641 G N -1.512 106.722 108.800 -0.943 0.000 3.189 641 G HA2 -0.039 3.922 3.960 0.001 0.000 0.225 641 G HA3 -0.039 3.922 3.960 0.001 0.000 0.225 641 G C 1.471 176.195 174.900 -0.293 0.000 1.159 641 G CA 0.554 45.222 45.100 -0.720 0.000 0.763 641 G HN 0.414 nan 8.290 nan 0.000 0.549 642 S N -0.552 115.000 115.700 -0.247 0.000 2.496 642 S HA 0.293 4.764 4.470 0.001 0.000 0.224 642 S C 1.945 176.493 174.600 -0.085 0.000 0.996 642 S CA 1.047 59.171 58.200 -0.127 0.000 0.927 642 S CB -0.141 63.004 63.200 -0.092 0.000 0.774 642 S HN 1.363 nan 8.310 nan 0.000 0.524 643 G N 1.393 110.131 108.800 -0.102 0.000 2.160 643 G HA2 -0.336 3.625 3.960 0.001 0.000 0.251 643 G HA3 -0.336 3.625 3.960 0.001 0.000 0.251 643 G C 0.925 175.810 174.900 -0.025 0.000 1.008 643 G CA 0.918 45.984 45.100 -0.057 0.000 0.724 643 G HN 1.305 nan 8.290 nan 0.000 0.514 644 S N -0.708 114.989 115.700 -0.005 0.000 2.453 644 S HA 0.306 4.776 4.470 0.001 0.000 0.231 644 S C 2.572 177.173 174.600 0.002 0.000 1.005 644 S CA 1.641 59.850 58.200 0.014 0.000 0.949 644 S CB -0.219 63.020 63.200 0.065 0.000 0.774 644 S HN 2.404 nan 8.310 nan 0.000 0.510 645 G N 0.162 108.971 108.800 0.015 0.000 2.220 645 G HA2 -0.317 3.643 3.960 0.001 0.000 0.269 645 G HA3 -0.317 3.643 3.960 0.001 0.000 0.269 645 G C 0.831 175.710 174.900 -0.035 0.000 0.977 645 G CA 0.495 45.595 45.100 -0.001 0.000 0.634 645 G HN 0.769 nan 8.290 nan 0.000 0.539 646 V N -0.489 119.375 119.914 -0.082 0.000 2.667 646 V HA 0.229 4.350 4.120 0.001 0.000 0.252 646 V C 1.169 176.987 176.094 -0.460 0.000 1.065 646 V CA 1.499 63.601 62.300 -0.329 0.000 1.083 646 V CB -0.423 31.058 31.823 -0.571 0.000 0.692 646 V HN 0.326 nan 8.190 nan 0.000 0.468 647 F N -0.166 119.795 119.950 0.017 0.000 2.436 647 F HA 0.414 4.942 4.527 0.001 0.000 0.340 647 F C 1.081 176.924 175.800 0.071 0.000 1.113 647 F CA -0.651 57.386 58.000 0.062 0.000 1.022 647 F CB 1.540 40.578 39.000 0.064 0.000 1.128 647 F HN -0.272 nan 8.300 nan 0.000 0.466 648 K N 1.728 122.282 120.400 0.258 0.000 2.167 648 K HA 0.080 4.400 4.320 0.001 0.000 0.203 648 K C -0.111 176.621 176.600 0.220 0.000 1.052 648 K CA 0.911 57.318 56.287 0.199 0.000 0.956 648 K CB 0.220 32.832 32.500 0.186 0.000 0.735 648 K HN 0.800 nan 8.250 nan 0.000 0.451 649 c N -2.915 115.854 118.600 0.282 0.000 3.321 649 c HA 0.887 5.458 4.570 0.001 0.000 0.329 649 c C -0.265 174.054 174.090 0.381 0.000 1.394 649 c CA -0.632 55.891 56.329 0.322 0.000 1.291 649 c CB 1.122 43.762 42.510 0.216 0.000 1.606 649 c HN 0.319 nan 8.230 nan 0.000 0.463 650 G N 0.051 109.138 108.800 0.479 0.000 2.673 650 G HA2 0.737 4.698 3.960 0.001 0.000 0.292 650 G HA3 0.737 4.698 3.960 0.001 0.000 0.292 650 G C -1.963 173.161 174.900 0.374 0.000 1.450 650 G CA -0.706 44.642 45.100 0.413 0.000 0.837 650 G HN 1.017 nan 8.290 nan 0.000 0.505 651 I N 0.550 121.317 120.570 0.328 0.000 2.533 651 I HA 0.627 4.798 4.170 0.001 0.000 0.290 651 I C -0.003 176.251 176.117 0.228 0.000 1.056 651 I CA -1.030 60.356 61.300 0.144 0.000 1.057 651 I CB 2.305 40.385 38.000 0.134 0.000 1.240 651 I HN 0.664 nan 8.210 nan 0.000 0.423 652 A N 6.366 129.214 122.820 0.046 0.000 2.311 652 A HA 0.765 5.085 4.320 0.001 0.000 0.306 652 A C -0.840 176.670 177.584 -0.123 0.000 1.189 652 A CA -0.508 51.561 52.037 0.054 0.000 0.791 652 A CB 1.222 20.318 19.000 0.160 0.000 1.172 652 A HN 0.428 nan 8.150 nan 0.000 0.481 653 V N 2.117 121.912 119.914 -0.197 0.000 2.398 653 V HA 0.568 4.689 4.120 0.001 0.000 0.286 653 V C 0.983 176.719 176.094 -0.597 0.000 1.026 653 V CA 0.328 62.290 62.300 -0.564 0.000 0.868 653 V CB 0.810 31.957 31.823 -1.127 0.000 0.982 653 V HN 2.106 nan 8.190 nan 0.000 0.443 654 A N 5.712 128.154 122.820 -0.629 0.000 2.415 654 A HA -0.106 4.215 4.320 0.001 0.000 0.292 654 A C -1.729 175.717 177.584 -0.230 0.000 1.452 654 A CA 0.443 52.003 52.037 -0.796 0.000 0.750 654 A CB -1.519 17.173 19.000 -0.514 0.000 1.099 654 A HN 0.626 nan 8.150 nan 0.000 0.391 655 P HA 0.448 nan 4.420 nan 0.000 0.279 655 P C 0.130 177.398 177.300 -0.053 0.000 1.252 655 P CA -0.295 62.790 63.100 -0.025 0.000 0.811 655 P CB 1.384 33.094 31.700 0.015 0.000 1.035 656 V N 1.963 121.743 119.914 -0.222 0.000 2.649 656 V HA 0.111 4.232 4.120 0.001 0.000 0.292 656 V C 1.671 177.543 176.094 -0.371 0.000 1.055 656 V CA 0.892 62.900 62.300 -0.486 0.000 1.023 656 V CB 0.897 32.048 31.823 -1.121 0.000 0.992 656 V HN 0.854 nan 8.190 nan 0.000 0.480 657 S N 3.593 119.104 115.700 -0.314 0.000 2.593 657 S HA 0.254 4.724 4.470 0.001 0.000 0.235 657 S C 0.418 174.843 174.600 -0.292 0.000 1.059 657 S CA -0.318 57.783 58.200 -0.164 0.000 0.953 657 S CB 0.327 63.505 63.200 -0.037 0.000 0.897 657 S HN 0.844 nan 8.310 nan 0.000 0.507 658 R N -1.080 119.114 120.500 -0.509 0.000 2.522 658 R HA 0.438 4.779 4.340 0.001 0.000 0.273 658 R C -0.949 174.995 176.300 -0.594 0.000 1.133 658 R CA -0.805 54.950 56.100 -0.576 0.000 0.969 658 R CB -0.292 29.618 30.300 -0.649 0.000 1.235 658 R HN 0.120 nan 8.270 nan 0.000 0.433 659 W N 1.689 122.882 121.300 -0.177 0.000 2.387 659 W HA -0.055 4.605 4.660 0.001 0.000 0.272 659 W C 1.096 177.733 176.519 0.196 0.000 1.224 659 W CA 0.976 58.310 57.345 -0.018 0.000 1.210 659 W CB 0.231 29.604 29.460 -0.144 0.000 1.125 659 W HN 0.723 nan 8.180 nan 0.000 0.572 660 E N -1.107 119.244 120.200 0.253 0.000 2.409 660 E HA -0.176 4.175 4.350 0.001 0.000 0.198 660 E C 1.195 177.930 176.600 0.224 0.000 1.024 660 E CA 0.688 57.200 56.400 0.186 0.000 0.861 660 E CB -0.192 29.509 29.700 0.001 0.000 0.788 660 E HN 0.374 nan 8.360 nan 0.000 0.521 661 Y N -1.483 118.902 120.300 0.142 0.000 2.523 661 Y HA 0.059 4.609 4.550 0.001 0.000 0.279 661 Y C 0.699 176.696 175.900 0.161 0.000 1.139 661 Y CA -0.279 57.877 58.100 0.093 0.000 1.296 661 Y CB -0.377 38.081 38.460 -0.004 0.000 1.045 661 Y HN 0.017 nan 8.280 nan 0.000 0.538 662 Y N 1.802 122.251 120.300 0.248 0.000 2.408 662 Y HA 0.288 4.838 4.550 0.001 0.000 0.324 662 Y C 0.332 176.450 175.900 0.363 0.000 1.302 662 Y CA -2.037 56.221 58.100 0.264 0.000 1.384 662 Y CB 0.360 38.998 38.460 0.297 0.000 1.367 662 Y HN 0.181 nan 8.280 nan 0.000 0.525 663 D N -0.714 119.377 120.400 -0.514 0.000 2.357 663 D HA 0.121 4.762 4.640 0.001 0.000 0.242 663 D C 0.947 177.253 176.300 0.010 0.000 1.153 663 D CA 0.297 54.121 54.000 -0.293 0.000 0.918 663 D CB 0.956 41.351 40.800 -0.675 0.000 1.181 663 D HN 0.481 nan 8.370 nan 0.000 0.435 664 S N 1.100 116.810 115.700 0.016 0.000 2.353 664 S HA -0.240 4.231 4.470 0.001 0.000 0.222 664 S C 1.935 176.580 174.600 0.074 0.000 1.035 664 S CA 1.279 59.536 58.200 0.095 0.000 1.025 664 S CB -1.083 62.177 63.200 0.100 0.000 0.902 664 S HN 0.434 nan 8.310 nan 0.000 0.440 665 V N 0.962 120.854 119.914 -0.037 0.000 2.255 665 V HA -0.193 3.928 4.120 0.001 0.000 0.247 665 V C 2.337 178.370 176.094 -0.103 0.000 1.051 665 V CA 2.344 64.525 62.300 -0.198 0.000 1.018 665 V CB -1.126 30.417 31.823 -0.467 0.000 0.641 665 V HN 0.624 nan 8.190 nan 0.000 0.445 666 Y N 1.302 121.565 120.300 -0.061 0.000 2.153 666 Y HA -0.202 4.349 4.550 0.001 0.000 0.289 666 Y C 2.717 178.656 175.900 0.065 0.000 1.127 666 Y CA 2.246 60.387 58.100 0.070 0.000 1.131 666 Y CB -0.663 38.038 38.460 0.402 0.000 0.995 666 Y HN 0.233 nan 8.280 nan 0.000 0.505 667 T N 0.478 115.315 114.554 0.472 0.000 2.652 667 T HA -0.215 4.136 4.350 0.001 0.000 0.267 667 T C 1.549 176.265 174.700 0.027 0.000 1.039 667 T CA 1.995 64.284 62.100 0.316 0.000 1.153 667 T CB -0.368 68.822 68.868 0.536 0.000 0.863 667 T HN 0.444 nan 8.240 nan 0.000 0.428 668 E N 0.547 120.786 120.200 0.065 0.000 2.265 668 E HA -0.101 4.250 4.350 0.001 0.000 0.196 668 E C 2.341 178.854 176.600 -0.146 0.000 0.996 668 E CA 0.404 56.825 56.400 0.035 0.000 0.832 668 E CB -0.121 29.637 29.700 0.097 0.000 0.756 668 E HN 0.353 nan 8.360 nan 0.000 0.491 669 R N 0.248 120.516 120.500 -0.386 0.000 2.081 669 R HA -0.174 4.166 4.340 0.001 0.000 0.235 669 R C 1.242 177.090 176.300 -0.753 0.000 1.131 669 R CA 1.489 57.193 56.100 -0.661 0.000 0.960 669 R CB -0.001 29.603 30.300 -1.159 0.000 0.856 669 R HN 0.240 nan 8.270 nan 0.000 0.436 670 Y N -1.614 118.388 120.300 -0.497 0.000 2.509 670 Y HA 0.204 4.754 4.550 0.001 0.000 0.270 670 Y C 1.733 177.445 175.900 -0.315 0.000 1.103 670 Y CA 0.198 57.985 58.100 -0.522 0.000 1.278 670 Y CB 0.459 38.460 38.460 -0.764 0.000 1.087 670 Y HN -0.036 nan 8.280 nan 0.000 0.542 671 M N -0.639 118.861 119.600 -0.167 0.000 2.306 671 M HA 0.365 4.846 4.480 0.001 0.000 0.292 671 M C 1.049 177.376 176.300 0.046 0.000 1.018 671 M CA 0.688 55.889 55.300 -0.166 0.000 1.007 671 M CB -0.092 32.206 32.600 -0.503 0.000 1.510 671 M HN 0.309 nan 8.290 nan 0.000 0.537 672 G N 2.136 110.977 108.800 0.068 0.000 2.601 672 G HA2 -0.254 3.707 3.960 0.001 0.000 0.252 672 G HA3 -0.254 3.707 3.960 0.001 0.000 0.252 672 G C -0.494 174.560 174.900 0.256 0.000 1.294 672 G CA -0.648 44.531 45.100 0.132 0.000 0.912 672 G HN 0.363 nan 8.290 nan 0.000 0.574 673 L N 1.916 123.254 121.223 0.192 0.000 2.343 673 L HA 0.475 4.816 4.340 0.001 0.000 0.275 673 L C -1.523 175.344 176.870 -0.005 0.000 1.056 673 L CA -1.842 53.060 54.840 0.103 0.000 0.804 673 L CB 2.104 44.184 42.059 0.035 0.000 1.203 673 L HN 0.457 nan 8.230 nan 0.000 0.440 674 P HA 0.088 nan 4.420 nan 0.000 0.214 674 P C -0.673 176.479 177.300 -0.246 0.000 1.826 674 P CA -0.127 62.576 63.100 -0.662 0.000 0.977 674 P CB -0.264 30.721 31.700 -1.192 0.000 1.930 675 T N -2.507 111.989 114.554 -0.097 0.000 2.907 675 T HA 0.457 4.807 4.350 0.001 0.000 0.292 675 T C -2.001 172.696 174.700 -0.005 0.000 1.043 675 T CA -2.419 59.654 62.100 -0.045 0.000 1.003 675 T CB 2.055 70.907 68.868 -0.026 0.000 1.084 675 T HN -0.199 nan 8.240 nan 0.000 0.483 676 P HA -0.118 nan 4.420 nan 0.000 0.218 676 P C 0.710 178.024 177.300 0.023 0.000 1.148 676 P CA 1.297 64.407 63.100 0.016 0.000 0.822 676 P CB 0.157 31.863 31.700 0.010 0.000 0.784 677 E N -0.682 119.528 120.200 0.016 0.000 2.274 677 E HA -0.084 4.267 4.350 0.001 0.000 0.194 677 E C 1.576 178.193 176.600 0.029 0.000 0.996 677 E CA 0.813 57.224 56.400 0.019 0.000 0.840 677 E CB -0.474 29.232 29.700 0.011 0.000 0.772 677 E HN 0.339 nan 8.360 nan 0.000 0.491 678 D N -0.355 120.068 120.400 0.038 0.000 2.838 678 D HA 0.052 4.692 4.640 0.001 0.000 0.245 678 D C 0.271 176.627 176.300 0.094 0.000 1.424 678 D CA 0.184 54.219 54.000 0.059 0.000 1.214 678 D CB -0.029 40.807 40.800 0.061 0.000 0.937 678 D HN -0.017 nan 8.370 nan 0.000 0.232 679 N N -0.114 118.676 118.700 0.150 0.000 2.365 679 N HA 0.094 4.835 4.740 0.001 0.000 0.257 679 N C 0.978 176.688 175.510 0.333 0.000 1.287 679 N CA -0.099 53.090 53.050 0.232 0.000 0.882 679 N CB 0.119 38.767 38.487 0.268 0.000 1.250 679 N HN 0.099 nan 8.380 nan 0.000 0.507 680 L N 0.540 121.873 121.223 0.183 0.000 2.013 680 L HA -0.146 4.195 4.340 0.001 0.000 0.212 680 L C 1.197 178.172 176.870 0.176 0.000 1.073 680 L CA 2.026 56.945 54.840 0.132 0.000 0.753 680 L CB -0.470 41.602 42.059 0.022 0.000 0.890 680 L HN 0.178 nan 8.230 nan 0.000 0.432 681 D N -1.516 118.968 120.400 0.140 0.000 2.133 681 D HA -0.270 4.371 4.640 0.001 0.000 0.195 681 D C 2.077 178.464 176.300 0.144 0.000 0.997 681 D CA 1.833 55.905 54.000 0.119 0.000 0.840 681 D CB -0.279 40.581 40.800 0.101 0.000 0.947 681 D HN 0.590 nan 8.370 nan 0.000 0.452 682 H N -0.748 118.392 119.070 0.116 0.000 2.428 682 H HA -0.075 4.481 4.556 0.001 0.000 0.296 682 H C 1.732 177.133 175.328 0.123 0.000 1.062 682 H CA 1.219 57.315 56.048 0.081 0.000 1.350 682 H CB -0.332 29.443 29.762 0.022 0.000 1.403 682 H HN 0.154 nan 8.280 nan 0.000 0.533 683 Y N 0.122 120.404 120.300 -0.030 0.000 2.207 683 Y HA -0.164 4.386 4.550 0.001 0.000 0.287 683 Y C 2.257 178.114 175.900 -0.071 0.000 1.156 683 Y CA 1.317 59.406 58.100 -0.020 0.000 1.182 683 Y CB 0.183 38.669 38.460 0.042 0.000 0.979 683 Y HN 0.125 nan 8.280 nan 0.000 0.521 684 R N -0.326 120.238 120.500 0.106 0.000 2.200 684 R HA 0.004 4.344 4.340 0.001 0.000 0.208 684 R C 1.084 177.373 176.300 -0.019 0.000 1.033 684 R CA 0.574 56.692 56.100 0.030 0.000 1.000 684 R CB -0.475 29.846 30.300 0.034 0.000 0.906 684 R HN 0.404 nan 8.270 nan 0.000 0.462 685 N N 0.401 119.064 118.700 -0.062 0.000 2.353 685 N HA -0.031 4.709 4.740 0.001 0.000 0.185 685 N C 0.518 175.965 175.510 -0.105 0.000 1.098 685 N CA 0.507 53.519 53.050 -0.063 0.000 0.872 685 N CB 0.421 38.899 38.487 -0.015 0.000 0.970 685 N HN 0.122 nan 8.380 nan 0.000 0.467 686 S N -0.524 115.068 115.700 -0.179 0.000 2.561 686 S HA 0.080 4.551 4.470 0.001 0.000 0.245 686 S C 0.667 175.316 174.600 0.081 0.000 1.001 686 S CA -0.710 57.450 58.200 -0.066 0.000 1.002 686 S CB -0.369 62.736 63.200 -0.158 0.000 0.805 686 S HN 0.171 nan 8.310 nan 0.000 0.458 687 T N -1.743 112.815 114.554 0.006 0.000 2.918 687 T HA 0.526 4.876 4.350 0.001 0.000 0.283 687 T C 1.281 175.987 174.700 0.010 0.000 1.001 687 T CA -0.641 61.453 62.100 -0.009 0.000 1.041 687 T CB 1.341 70.166 68.868 -0.071 0.000 1.028 687 T HN -0.048 nan 8.240 nan 0.000 0.511 688 V N 1.653 121.572 119.914 0.008 0.000 2.379 688 V HA -0.108 4.012 4.120 0.001 0.000 0.245 688 V C 2.640 178.718 176.094 -0.028 0.000 1.044 688 V CA 1.558 63.856 62.300 -0.004 0.000 1.036 688 V CB -0.951 30.867 31.823 -0.008 0.000 0.664 688 V HN 0.816 nan 8.190 nan 0.000 0.453 689 M N 1.286 120.852 119.600 -0.057 0.000 2.106 689 M HA -0.186 4.294 4.480 0.001 0.000 0.259 689 M C 2.353 178.629 176.300 -0.039 0.000 1.068 689 M CA 2.269 57.527 55.300 -0.071 0.000 1.100 689 M CB -1.083 31.484 32.600 -0.055 0.000 1.351 689 M HN 0.534 nan 8.290 nan 0.000 0.404 690 S N -0.245 115.443 115.700 -0.020 0.000 2.469 690 S HA -0.092 4.379 4.470 0.001 0.000 0.238 690 S C 1.739 176.347 174.600 0.013 0.000 0.998 690 S CA 0.748 58.944 58.200 -0.006 0.000 0.957 690 S CB -0.473 62.723 63.200 -0.007 0.000 0.764 690 S HN 0.560 nan 8.310 nan 0.000 0.514 691 R N 0.416 120.938 120.500 0.037 0.000 2.393 691 R HA 0.453 4.793 4.340 0.001 0.000 0.244 691 R C 2.190 178.601 176.300 0.184 0.000 0.920 691 R CA 0.412 56.561 56.100 0.082 0.000 1.076 691 R CB -0.237 30.108 30.300 0.074 0.000 1.119 691 R HN 0.468 nan 8.270 nan 0.000 0.524 692 A N 1.825 124.698 122.820 0.089 0.000 1.903 692 A HA -0.313 4.007 4.320 0.001 0.000 0.219 692 A C 2.042 179.718 177.584 0.152 0.000 1.191 692 A CA 2.048 54.104 52.037 0.032 0.000 0.638 692 A CB -0.358 18.589 19.000 -0.089 0.000 0.823 692 A HN 0.280 nan 8.150 nan 0.000 0.451 693 E N 0.616 120.873 120.200 0.096 0.000 2.147 693 E HA -0.207 4.144 4.350 0.001 0.000 0.199 693 E C 1.512 178.178 176.600 0.109 0.000 1.005 693 E CA 1.746 58.198 56.400 0.087 0.000 0.810 693 E CB -0.303 29.428 29.700 0.051 0.000 0.736 693 E HN 0.624 nan 8.360 nan 0.000 0.460 694 N N -0.550 118.214 118.700 0.107 0.000 2.573 694 N HA -0.100 4.641 4.740 0.001 0.000 0.187 694 N C 0.576 176.083 175.510 -0.006 0.000 1.107 694 N CA 0.499 53.564 53.050 0.024 0.000 0.918 694 N CB -0.170 38.279 38.487 -0.064 0.000 0.966 694 N HN 0.268 nan 8.380 nan 0.000 0.448 695 F N 1.030 120.943 119.950 -0.063 0.000 2.811 695 F HA 0.146 4.674 4.527 0.001 0.000 0.301 695 F C 1.959 177.768 175.800 0.015 0.000 1.151 695 F CA 0.131 58.092 58.000 -0.065 0.000 1.412 695 F CB 0.281 39.199 39.000 -0.137 0.000 1.113 695 F HN -0.099 nan 8.300 nan 0.000 0.579 696 K N 0.173 120.676 120.400 0.172 0.000 2.152 696 K HA -0.171 4.150 4.320 0.001 0.000 0.206 696 K C 1.210 177.877 176.600 0.112 0.000 1.048 696 K CA 1.133 57.501 56.287 0.135 0.000 0.933 696 K CB -0.134 32.422 32.500 0.094 0.000 0.721 696 K HN 0.397 nan 8.250 nan 0.000 0.447 697 Q N 0.697 120.545 119.800 0.079 0.000 2.201 697 Q HA 0.070 4.411 4.340 0.001 0.000 0.217 697 Q C -0.406 175.643 176.000 0.081 0.000 0.860 697 Q CA -0.176 55.668 55.803 0.069 0.000 0.984 697 Q CB 0.784 29.547 28.738 0.041 0.000 1.095 697 Q HN 0.078 nan 8.270 nan 0.000 0.477 698 V N -3.499 116.483 119.914 0.115 0.000 3.078 698 V HA 0.511 4.631 4.120 0.001 0.000 0.311 698 V C -1.024 175.220 176.094 0.250 0.000 1.138 698 V CA -1.252 61.137 62.300 0.150 0.000 1.007 698 V CB 2.347 34.219 31.823 0.081 0.000 1.045 698 V HN 0.024 nan 8.190 nan 0.000 0.432 699 E N 1.908 122.286 120.200 0.297 0.000 2.174 699 E HA 0.482 4.833 4.350 0.001 0.000 0.282 699 E C -1.827 175.138 176.600 0.608 0.000 0.992 699 E CA -0.393 56.258 56.400 0.419 0.000 0.803 699 E CB 1.851 31.754 29.700 0.339 0.000 1.090 699 E HN 0.709 nan 8.360 nan 0.000 0.396 700 Y N 3.323 123.868 120.300 0.407 0.000 2.425 700 Y HA 0.461 5.012 4.550 0.001 0.000 0.344 700 Y C -1.728 174.224 175.900 0.088 0.000 0.969 700 Y CA -1.495 56.776 58.100 0.285 0.000 1.052 700 Y CB 1.120 39.798 38.460 0.365 0.000 1.215 700 Y HN 0.427 nan 8.280 nan 0.000 0.451 701 L N 7.708 128.638 121.223 -0.489 0.000 2.343 701 L HA 0.610 4.951 4.340 0.001 0.000 0.278 701 L C -2.225 174.207 176.870 -0.731 0.000 0.996 701 L CA -0.781 53.647 54.840 -0.687 0.000 0.831 701 L CB 1.334 42.678 42.059 -1.191 0.000 1.232 701 L HN 0.656 nan 8.230 nan 0.000 0.413 702 L N 6.624 127.501 121.223 -0.577 0.000 2.305 702 L HA 0.698 5.039 4.340 0.001 0.000 0.284 702 L C -1.099 175.649 176.870 -0.204 0.000 1.013 702 L CA 0.005 54.547 54.840 -0.495 0.000 0.819 702 L CB 1.121 42.897 42.059 -0.471 0.000 1.227 702 L HN 0.597 nan 8.230 nan 0.000 0.417 703 I N 4.394 124.858 120.570 -0.178 0.000 2.608 703 I HA 0.484 4.655 4.170 0.001 0.000 0.295 703 I C -1.147 174.963 176.117 -0.011 0.000 1.049 703 I CA -0.753 60.500 61.300 -0.077 0.000 1.063 703 I CB 2.105 40.023 38.000 -0.138 0.000 1.248 703 I HN 0.676 nan 8.210 nan 0.000 0.424 704 H N 1.962 121.086 119.070 0.090 0.000 3.112 704 H HA 0.457 5.014 4.556 0.001 0.000 0.347 704 H C -0.447 175.123 175.328 0.404 0.000 1.188 704 H CA -0.604 55.552 56.048 0.180 0.000 1.240 704 H CB 1.971 31.778 29.762 0.075 0.000 1.920 704 H HN 0.758 nan 8.280 nan 0.000 0.535 705 G N 0.944 110.110 108.800 0.609 0.000 2.390 705 G HA2 0.219 4.180 3.960 0.001 0.000 0.270 705 G HA3 0.219 4.180 3.960 0.001 0.000 0.270 705 G C 1.158 176.349 174.900 0.486 0.000 1.211 705 G CA 0.138 45.543 45.100 0.510 0.000 0.842 705 G HN 0.747 nan 8.290 nan 0.000 0.519 706 T N -0.607 114.080 114.554 0.221 0.000 2.962 706 T HA 0.056 4.407 4.350 0.001 0.000 0.270 706 T C 1.710 176.412 174.700 0.002 0.000 1.088 706 T CA 1.326 63.365 62.100 -0.102 0.000 1.127 706 T CB 0.133 68.850 68.868 -0.252 0.000 0.883 706 T HN 0.679 nan 8.240 nan 0.000 0.493 707 A N 0.944 123.840 122.820 0.126 0.000 2.577 707 A HA 0.307 4.628 4.320 0.001 0.000 0.280 707 A C 0.419 177.988 177.584 -0.024 0.000 1.331 707 A CA -0.502 51.596 52.037 0.102 0.000 0.935 707 A CB -0.293 19.009 19.000 0.504 0.000 1.082 707 A HN 0.384 nan 8.150 nan 0.000 0.525 708 D N 1.575 121.985 120.400 0.017 0.000 2.342 708 D HA -0.010 4.631 4.640 0.001 0.000 0.260 708 D C 0.396 176.659 176.300 -0.062 0.000 1.278 708 D CA 0.185 54.280 54.000 0.159 0.000 0.910 708 D CB 0.666 41.713 40.800 0.411 0.000 1.079 708 D HN 0.579 nan 8.370 nan 0.000 0.496 709 D N 2.308 122.733 120.400 0.041 0.000 2.348 709 D HA -0.135 4.506 4.640 0.001 0.000 0.211 709 D C 0.983 177.266 176.300 -0.029 0.000 0.998 709 D CA -0.095 53.887 54.000 -0.030 0.000 0.873 709 D CB 0.424 41.199 40.800 -0.041 0.000 0.925 709 D HN 0.214 nan 8.370 nan 0.000 0.524 710 N N 0.961 119.728 118.700 0.111 0.000 2.335 710 N HA -0.060 4.681 4.740 0.001 0.000 0.197 710 N C -0.019 175.408 175.510 -0.139 0.000 1.045 710 N CA 0.603 53.751 53.050 0.162 0.000 0.928 710 N CB 0.280 38.861 38.487 0.156 0.000 1.118 710 N HN -0.100 nan 8.380 nan 0.000 0.471 711 V N 3.786 123.601 119.914 -0.166 0.000 2.288 711 V HA 0.202 4.322 4.120 0.001 0.000 0.266 711 V C -0.620 175.492 176.094 0.030 0.000 1.048 711 V CA -0.707 61.540 62.300 -0.087 0.000 0.842 711 V CB 0.045 31.845 31.823 -0.038 0.000 1.064 711 V HN 0.324 nan 8.190 nan 0.000 0.472 712 H N 3.413 122.455 119.070 -0.047 0.000 2.972 712 H HA -0.025 4.532 4.556 0.001 0.000 0.343 712 H C 0.922 176.101 175.328 -0.248 0.000 1.054 712 H CA -0.065 55.878 56.048 -0.174 0.000 1.412 712 H CB 0.555 30.129 29.762 -0.313 0.000 1.385 712 H HN 0.622 nan 8.280 nan 0.000 0.600 713 F N 2.014 121.758 119.950 -0.342 0.000 2.192 713 F HA -0.292 4.236 4.527 0.001 0.000 0.301 713 F C 2.581 178.090 175.800 -0.484 0.000 1.079 713 F CA 1.911 59.495 58.000 -0.692 0.000 1.303 713 F CB -0.089 38.699 39.000 -0.353 0.000 1.024 713 F HN 0.667 nan 8.300 nan 0.000 0.494 714 Q N 0.216 119.872 119.800 -0.239 0.000 2.156 714 Q HA -0.334 4.007 4.340 0.001 0.000 0.211 714 Q C 2.099 177.848 176.000 -0.417 0.000 0.995 714 Q CA 2.446 58.054 55.803 -0.325 0.000 0.877 714 Q CB -0.400 28.109 28.738 -0.381 0.000 0.920 714 Q HN 0.599 nan 8.270 nan 0.000 0.416 715 Q N -0.386 119.214 119.800 -0.335 0.000 2.096 715 Q HA -0.136 4.205 4.340 0.001 0.000 0.204 715 Q C 2.236 178.124 176.000 -0.187 0.000 0.982 715 Q CA 1.760 57.483 55.803 -0.132 0.000 0.850 715 Q CB -0.094 28.646 28.738 0.004 0.000 0.901 715 Q HN 0.341 nan 8.270 nan 0.000 0.422 716 S N 0.429 115.897 115.700 -0.386 0.000 2.425 716 S HA 0.036 4.506 4.470 0.001 0.000 0.225 716 S C 2.000 176.337 174.600 -0.438 0.000 1.024 716 S CA 0.620 58.599 58.200 -0.369 0.000 0.951 716 S CB -0.011 62.950 63.200 -0.399 0.000 0.796 716 S HN 0.459 nan 8.310 nan 0.000 0.498 717 A N 1.301 123.769 122.820 -0.588 0.000 1.972 717 A HA -0.118 4.203 4.320 0.001 0.000 0.219 717 A C 2.097 179.569 177.584 -0.187 0.000 1.169 717 A CA 1.105 52.933 52.037 -0.348 0.000 0.635 717 A CB -0.343 18.514 19.000 -0.238 0.000 0.810 717 A HN 0.351 nan 8.150 nan 0.000 0.446 718 Q N -0.551 119.146 119.800 -0.171 0.000 2.245 718 Q HA 0.054 4.395 4.340 0.001 0.000 0.201 718 Q C 2.082 178.022 176.000 -0.099 0.000 0.955 718 Q CA 0.814 56.571 55.803 -0.076 0.000 0.870 718 Q CB -0.224 28.539 28.738 0.042 0.000 0.945 718 Q HN 0.781 nan 8.270 nan 0.000 0.461 719 I N 1.072 121.554 120.570 -0.148 0.000 2.202 719 I HA -0.261 3.910 4.170 0.001 0.000 0.242 719 I C 2.521 178.459 176.117 -0.298 0.000 1.091 719 I CA 1.438 62.609 61.300 -0.215 0.000 1.368 719 I CB -0.467 37.408 38.000 -0.209 0.000 1.058 719 I HN 0.170 nan 8.210 nan 0.000 0.410 720 S N 0.987 116.529 115.700 -0.264 0.000 2.382 720 S HA -0.280 4.191 4.470 0.001 0.000 0.228 720 S C 2.028 176.590 174.600 -0.064 0.000 1.027 720 S CA 1.509 59.579 58.200 -0.217 0.000 0.991 720 S CB -0.452 62.785 63.200 0.063 0.000 0.823 720 S HN 0.376 nan 8.310 nan 0.000 0.469 721 K N 1.703 122.070 120.400 -0.054 0.000 2.057 721 K HA 0.062 4.383 4.320 0.001 0.000 0.207 721 K C 2.294 178.872 176.600 -0.036 0.000 1.049 721 K CA 1.109 57.386 56.287 -0.018 0.000 0.931 721 K CB -0.678 31.809 32.500 -0.022 0.000 0.714 721 K HN 0.442 nan 8.250 nan 0.000 0.440 722 A N 1.027 123.796 122.820 -0.085 0.000 1.933 722 A HA -0.104 4.217 4.320 0.001 0.000 0.218 722 A C 2.076 179.599 177.584 -0.103 0.000 1.175 722 A CA 1.281 53.264 52.037 -0.090 0.000 0.628 722 A CB -0.576 18.353 19.000 -0.118 0.000 0.814 722 A HN 0.318 nan 8.150 nan 0.000 0.444 723 L N -0.708 120.409 121.223 -0.177 0.000 2.056 723 L HA -0.135 4.206 4.340 0.001 0.000 0.207 723 L C 2.500 179.401 176.870 0.051 0.000 1.078 723 L CA 0.899 55.653 54.840 -0.143 0.000 0.749 723 L CB -0.574 41.255 42.059 -0.384 0.000 0.901 723 L HN 0.232 nan 8.230 nan 0.000 0.433 724 V N -0.161 119.814 119.914 0.102 0.000 2.343 724 V HA -0.282 3.839 4.120 0.001 0.000 0.247 724 V C 2.007 178.138 176.094 0.063 0.000 1.051 724 V CA 1.870 64.245 62.300 0.124 0.000 1.036 724 V CB -0.513 31.380 31.823 0.117 0.000 0.654 724 V HN 0.421 nan 8.190 nan 0.000 0.451 725 D N 0.302 120.721 120.400 0.032 0.000 2.218 725 D HA -0.110 4.531 4.640 0.001 0.000 0.204 725 D C 1.744 178.057 176.300 0.023 0.000 0.976 725 D CA 1.637 55.649 54.000 0.021 0.000 0.853 725 D CB -0.101 40.703 40.800 0.006 0.000 0.939 725 D HN 0.564 nan 8.370 nan 0.000 0.481 726 V N -3.902 116.027 119.914 0.026 0.000 3.542 726 V HA 0.497 4.617 4.120 0.001 0.000 0.296 726 V C 1.235 177.359 176.094 0.050 0.000 1.364 726 V CA 0.243 62.563 62.300 0.033 0.000 1.118 726 V CB -0.094 31.746 31.823 0.028 0.000 0.972 726 V HN 0.131 nan 8.190 nan 0.000 0.430 727 G N 0.357 109.194 108.800 0.062 0.000 2.246 727 G HA2 -0.177 3.783 3.960 0.001 0.000 0.273 727 G HA3 -0.177 3.783 3.960 0.001 0.000 0.273 727 G C -0.077 174.882 174.900 0.099 0.000 1.055 727 G CA 0.416 45.560 45.100 0.073 0.000 0.851 727 G HN 1.463 nan 8.290 nan 0.000 0.500 728 V N -0.123 119.870 119.914 0.133 0.000 2.398 728 V HA 0.655 4.776 4.120 0.001 0.000 0.286 728 V C 0.172 176.433 176.094 0.278 0.000 1.026 728 V CA -0.589 61.819 62.300 0.181 0.000 0.868 728 V CB 1.668 33.594 31.823 0.172 0.000 0.982 728 V HN 0.367 nan 8.190 nan 0.000 0.443 729 D N 5.564 126.100 120.400 0.226 0.000 2.341 729 D HA 0.559 5.200 4.640 0.001 0.000 0.245 729 D C -0.529 175.972 176.300 0.335 0.000 1.106 729 D CA 0.353 54.464 54.000 0.185 0.000 0.905 729 D CB 0.871 41.727 40.800 0.093 0.000 1.202 729 D HN 0.576 nan 8.370 nan 0.000 0.426 730 F N -0.500 119.520 119.950 0.116 0.000 2.817 730 F HA 0.463 4.990 4.527 0.001 0.000 0.317 730 F C -1.574 174.274 175.800 0.079 0.000 1.168 730 F CA -1.164 56.924 58.000 0.147 0.000 0.911 730 F CB 0.779 39.897 39.000 0.197 0.000 1.337 730 F HN 0.067 nan 8.300 nan 0.000 0.464 731 Q N 1.483 121.350 119.800 0.112 0.000 2.266 731 Q HA 0.830 5.170 4.340 0.001 0.000 0.261 731 Q C -0.825 175.182 176.000 0.012 0.000 0.985 731 Q CA -0.781 55.005 55.803 -0.027 0.000 0.873 731 Q CB 1.997 30.746 28.738 0.017 0.000 1.306 731 Q HN 1.053 nan 8.270 nan 0.000 0.447 732 A N 1.588 124.387 122.820 -0.035 0.000 2.556 732 A HA 0.864 5.184 4.320 0.001 0.000 0.294 732 A C -1.358 176.184 177.584 -0.070 0.000 1.091 732 A CA -0.584 51.466 52.037 0.022 0.000 0.704 732 A CB 1.991 21.080 19.000 0.147 0.000 1.300 732 A HN 0.608 nan 8.150 nan 0.000 0.406 733 M N 1.214 120.755 119.600 -0.098 0.000 2.274 733 M HA 0.564 5.045 4.480 0.001 0.000 0.272 733 M C -2.049 174.123 176.300 -0.213 0.000 1.053 733 M CA -0.605 54.486 55.300 -0.349 0.000 0.978 733 M CB 1.102 33.409 32.600 -0.488 0.000 1.836 733 M HN 0.962 nan 8.290 nan 0.000 0.484 734 W N 4.225 125.365 121.300 -0.266 0.000 2.578 734 W HA 0.789 5.450 4.660 0.001 0.000 0.346 734 W C -1.996 174.259 176.519 -0.439 0.000 1.075 734 W CA -0.886 56.390 57.345 -0.116 0.000 1.233 734 W CB 0.451 29.887 29.460 -0.041 0.000 1.358 734 W HN 0.625 nan 8.180 nan 0.000 0.574 735 Y N 2.305 122.720 120.300 0.191 0.000 2.376 735 Y HA 0.287 4.838 4.550 0.001 0.000 0.326 735 Y C 0.514 176.512 175.900 0.162 0.000 0.970 735 Y CA -1.004 57.122 58.100 0.042 0.000 1.248 735 Y CB 1.549 40.022 38.460 0.021 0.000 1.117 735 Y HN 0.424 nan 8.280 nan 0.000 0.476 736 T N 4.626 119.330 114.554 0.250 0.000 2.866 736 T HA -0.060 4.291 4.350 0.001 0.000 0.293 736 T C 0.218 174.985 174.700 0.111 0.000 1.005 736 T CA 0.766 62.962 62.100 0.160 0.000 1.162 736 T CB -0.144 68.755 68.868 0.052 0.000 0.968 736 T HN 0.722 nan 8.240 nan 0.000 0.530 737 D N 0.857 121.298 120.400 0.069 0.000 3.077 737 D HA -0.125 4.516 4.640 0.001 0.000 0.217 737 D C 0.277 176.708 176.300 0.218 0.000 1.162 737 D CA 1.141 55.128 54.000 -0.022 0.000 0.943 737 D CB -0.369 40.214 40.800 -0.362 0.000 1.122 737 D HN 0.554 nan 8.370 nan 0.000 0.413 738 E N 0.868 121.218 120.200 0.250 0.000 2.277 738 E HA 0.330 4.681 4.350 0.001 0.000 0.274 738 E C 0.747 177.542 176.600 0.324 0.000 1.022 738 E CA -0.326 56.243 56.400 0.282 0.000 0.853 738 E CB 1.243 31.099 29.700 0.260 0.000 1.086 738 E HN 0.328 nan 8.360 nan 0.000 0.397 739 D N -0.347 120.257 120.400 0.341 0.000 2.560 739 D HA 0.002 4.643 4.640 0.001 0.000 0.277 739 D C 1.059 177.606 176.300 0.412 0.000 1.194 739 D CA -0.223 54.002 54.000 0.375 0.000 1.092 739 D CB -0.156 40.891 40.800 0.412 0.000 1.169 739 D HN 0.382 nan 8.370 nan 0.000 0.607 740 H N -1.507 117.754 119.070 0.318 0.000 2.489 740 H HA 0.067 4.623 4.556 0.001 0.000 0.295 740 H C 1.861 177.441 175.328 0.419 0.000 1.082 740 H CA 2.090 58.344 56.048 0.344 0.000 1.295 740 H CB -0.389 29.557 29.762 0.307 0.000 1.380 740 H HN 0.509 nan 8.280 nan 0.000 0.548 741 G N -0.359 108.632 108.800 0.317 0.000 2.683 741 G HA2 0.014 3.974 3.960 0.001 0.000 0.213 741 G HA3 0.014 3.974 3.960 0.001 0.000 0.213 741 G C 0.650 175.737 174.900 0.311 0.000 1.142 741 G CA 0.249 45.461 45.100 0.187 0.000 0.793 741 G HN 0.509 nan 8.290 nan 0.000 0.534 742 I N 0.205 120.984 120.570 0.347 0.000 3.859 742 I HA -0.335 3.836 4.170 0.001 0.000 0.126 742 I C 1.557 177.813 176.117 0.231 0.000 1.065 742 I CA 0.203 61.659 61.300 0.259 0.000 2.735 742 I CB -1.192 36.942 38.000 0.225 0.000 1.465 742 I HN 0.270 nan 8.210 nan 0.000 0.341 743 A N 1.335 124.259 122.820 0.172 0.000 2.390 743 A HA 0.241 4.562 4.320 0.001 0.000 0.232 743 A C 1.212 178.842 177.584 0.077 0.000 1.233 743 A CA 0.569 52.667 52.037 0.101 0.000 0.907 743 A CB 0.163 19.191 19.000 0.046 0.000 0.967 743 A HN 0.655 nan 8.150 nan 0.000 0.512 744 S N -0.191 115.570 115.700 0.103 0.000 2.563 744 S HA 0.125 4.595 4.470 0.001 0.000 0.284 744 S C 1.238 175.890 174.600 0.087 0.000 1.331 744 S CA 0.381 58.635 58.200 0.089 0.000 1.047 744 S CB 0.995 64.256 63.200 0.102 0.000 0.859 744 S HN 0.540 nan 8.310 nan 0.000 0.514 745 S N 2.273 118.012 115.700 0.065 0.000 2.368 745 S HA -0.209 4.262 4.470 0.001 0.000 0.226 745 S C 2.088 176.748 174.600 0.099 0.000 1.044 745 S CA 2.423 60.665 58.200 0.071 0.000 1.062 745 S CB -1.643 61.581 63.200 0.040 0.000 0.931 745 S HN 1.068 nan 8.310 nan 0.000 0.440 746 T N -0.187 114.415 114.554 0.079 0.000 2.777 746 T HA 0.170 4.520 4.350 0.001 0.000 0.266 746 T C 2.006 176.756 174.700 0.085 0.000 1.040 746 T CA 1.344 63.492 62.100 0.079 0.000 1.141 746 T CB -0.987 67.920 68.868 0.064 0.000 0.868 746 T HN 0.489 nan 8.240 nan 0.000 0.444 747 A N 1.574 124.423 122.820 0.048 0.000 1.902 747 A HA -0.105 4.216 4.320 0.001 0.000 0.217 747 A C 2.205 179.730 177.584 -0.098 0.000 1.181 747 A CA 2.081 54.063 52.037 -0.091 0.000 0.623 747 A CB -1.291 17.623 19.000 -0.142 0.000 0.818 747 A HN 0.748 nan 8.150 nan 0.000 0.443 748 H N -0.049 118.999 119.070 -0.036 0.000 2.289 748 H HA -0.177 4.380 4.556 0.001 0.000 0.296 748 H C 2.124 177.520 175.328 0.113 0.000 1.091 748 H CA 2.467 58.556 56.048 0.069 0.000 1.274 748 H CB -0.296 29.513 29.762 0.079 0.000 1.364 748 H HN 0.587 nan 8.280 nan 0.000 0.490 749 Q N -1.026 118.770 119.800 -0.008 0.000 2.084 749 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 749 Q C 2.299 178.277 176.000 -0.036 0.000 0.978 749 Q CA 1.380 57.137 55.803 -0.077 0.000 0.844 749 Q CB -0.246 28.489 28.738 -0.004 0.000 0.898 749 Q HN 0.645 nan 8.270 nan 0.000 0.426 750 H N 0.741 119.776 119.070 -0.057 0.000 2.353 750 H HA -0.096 4.460 4.556 0.001 0.000 0.300 750 H C 2.053 177.372 175.328 -0.015 0.000 1.090 750 H CA 1.424 57.472 56.048 0.000 0.000 1.327 750 H CB -0.038 29.777 29.762 0.090 0.000 1.383 750 H HN 0.282 nan 8.280 nan 0.000 0.508 751 I N 0.084 120.618 120.570 -0.060 0.000 2.202 751 I HA -0.322 3.848 4.170 0.001 0.000 0.242 751 I C 1.810 177.696 176.117 -0.384 0.000 1.091 751 I CA 1.246 62.428 61.300 -0.197 0.000 1.368 751 I CB -0.273 37.426 38.000 -0.502 0.000 1.058 751 I HN 0.136 nan 8.210 nan 0.000 0.410 752 Y N 0.916 121.007 120.300 -0.349 0.000 2.352 752 Y HA -0.196 4.355 4.550 0.001 0.000 0.292 752 Y C 2.693 178.381 175.900 -0.354 0.000 1.136 752 Y CA 1.769 59.548 58.100 -0.535 0.000 1.227 752 Y CB -0.812 37.339 38.460 -0.515 0.000 0.991 752 Y HN 0.168 nan 8.280 nan 0.000 0.545 753 T N -1.777 112.691 114.554 -0.144 0.000 2.737 753 T HA -0.208 4.142 4.350 0.001 0.000 0.265 753 T C 1.563 176.138 174.700 -0.208 0.000 1.038 753 T CA 1.797 63.776 62.100 -0.202 0.000 1.144 753 T CB -0.421 68.334 68.868 -0.189 0.000 0.866 753 T HN 0.394 nan 8.240 nan 0.000 0.434 754 H N 0.865 119.813 119.070 -0.205 0.000 2.353 754 H HA 0.122 4.679 4.556 0.001 0.000 0.300 754 H C 2.160 177.479 175.328 -0.016 0.000 1.090 754 H CA 1.518 57.527 56.048 -0.066 0.000 1.327 754 H CB -0.230 29.488 29.762 -0.072 0.000 1.383 754 H HN 0.247 nan 8.280 nan 0.000 0.508 755 M N -0.888 118.651 119.600 -0.101 0.000 2.175 755 M HA -0.146 4.335 4.480 0.001 0.000 0.264 755 M C 2.372 178.787 176.300 0.192 0.000 1.063 755 M CA 1.393 56.638 55.300 -0.091 0.000 1.119 755 M CB 0.031 32.325 32.600 -0.510 0.000 1.377 755 M HN 0.195 nan 8.290 nan 0.000 0.415 756 S N -0.597 115.228 115.700 0.208 0.000 2.368 756 S HA -0.148 4.323 4.470 0.001 0.000 0.225 756 S C 1.688 176.375 174.600 0.145 0.000 1.030 756 S CA 1.004 59.417 58.200 0.356 0.000 0.999 756 S CB -0.556 62.833 63.200 0.315 0.000 0.844 756 S HN 0.466 nan 8.310 nan 0.000 0.459 757 H N -0.257 118.872 119.070 0.097 0.000 2.387 757 H HA -0.002 4.555 4.556 0.001 0.000 0.299 757 H C 1.942 177.265 175.328 -0.008 0.000 1.090 757 H CA 1.132 57.191 56.048 0.018 0.000 1.332 757 H CB -0.632 29.094 29.762 -0.059 0.000 1.386 757 H HN 0.450 nan 8.280 nan 0.000 0.516 758 F N 1.199 121.138 119.950 -0.018 0.000 2.113 758 F HA -0.159 4.368 4.527 0.001 0.000 0.297 758 F C 2.262 178.021 175.800 -0.069 0.000 1.103 758 F CA 0.810 58.770 58.000 -0.066 0.000 1.248 758 F CB -0.246 38.692 39.000 -0.104 0.000 0.999 758 F HN -0.053 nan 8.300 nan 0.000 0.475 759 I N 0.705 121.270 120.570 -0.009 0.000 2.179 759 I HA -0.273 3.898 4.170 0.001 0.000 0.242 759 I C 2.240 178.154 176.117 -0.338 0.000 1.088 759 I CA 1.497 62.631 61.300 -0.277 0.000 1.357 759 I CB -1.299 36.616 38.000 -0.142 0.000 1.051 759 I HN 0.201 nan 8.210 nan 0.000 0.409 760 K N 0.301 120.652 120.400 -0.082 0.000 2.032 760 K HA -0.243 4.077 4.320 0.001 0.000 0.209 760 K C 2.119 178.704 176.600 -0.025 0.000 1.048 760 K CA 1.327 57.624 56.287 0.016 0.000 0.927 760 K CB -0.318 32.239 32.500 0.095 0.000 0.712 760 K HN 0.312 nan 8.250 nan 0.000 0.441 761 Q N 1.503 121.247 119.800 -0.093 0.000 2.061 761 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 761 Q C 2.261 178.155 176.000 -0.176 0.000 0.984 761 Q CA 2.015 57.745 55.803 -0.122 0.000 0.846 761 Q CB -0.824 27.819 28.738 -0.159 0.000 0.902 761 Q HN 0.434 nan 8.270 nan 0.000 0.421 762 c N 0.163 118.546 118.600 -0.362 0.000 2.425 762 c HA -0.081 4.490 4.570 0.001 0.000 0.277 762 c C 2.205 176.291 174.090 -0.006 0.000 1.280 762 c CA 0.492 56.630 56.329 -0.318 0.000 1.744 762 c CB -1.383 40.783 42.510 -0.574 0.000 1.989 762 c HN 0.526 nan 8.230 nan 0.000 0.491 763 F N 1.540 121.450 119.950 -0.066 0.000 2.765 763 F HA 0.255 4.782 4.527 0.001 0.000 0.302 763 F C 1.646 177.431 175.800 -0.024 0.000 1.111 763 F CA 0.414 58.398 58.000 -0.027 0.000 1.359 763 F CB -1.150 37.843 39.000 -0.012 0.000 1.097 763 F HN 0.203 nan 8.300 nan 0.000 0.577 764 S N 0.940 116.723 115.700 0.137 0.000 3.749 764 S HA -0.189 4.281 4.470 0.001 0.000 0.348 764 S C -0.074 174.573 174.600 0.077 0.000 1.045 764 S CA 0.068 58.312 58.200 0.074 0.000 1.051 764 S CB -2.078 61.155 63.200 0.055 0.000 0.898 764 S HN 0.229 nan 8.310 nan 0.000 0.472 765 L N 0.947 122.228 121.223 0.098 0.000 2.272 765 L HA 0.432 4.773 4.340 0.001 0.000 0.289 765 L C -1.436 175.479 176.870 0.074 0.000 1.032 765 L CA -2.125 52.769 54.840 0.090 0.000 0.810 765 L CB 0.488 42.620 42.059 0.122 0.000 1.205 765 L HN 0.026 nan 8.230 nan 0.000 0.422 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.058 0.000 0.800 766 P CB 0.000 31.728 31.700 0.046 0.000 0.726