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 2hha_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.064 0.000 1.109 39 T CA 0.000 62.131 62.100 0.052 0.000 1.349 39 T CB 0.000 68.893 68.868 0.041 0.000 0.612 40 R N 3.084 123.630 120.500 0.077 0.000 2.679 40 R HA 0.563 4.904 4.340 0.001 0.000 0.269 40 R C 0.403 176.759 176.300 0.093 0.000 1.076 40 R CA -0.747 55.402 56.100 0.082 0.000 1.160 40 R CB 0.255 30.604 30.300 0.082 0.000 1.054 40 R HN 0.505 nan 8.270 nan 0.000 0.507 41 K N 0.347 120.807 120.400 0.101 0.000 2.187 41 K HA 0.100 4.421 4.320 0.001 0.000 0.247 41 K C -0.137 176.540 176.600 0.127 0.000 1.019 41 K CA -0.390 55.966 56.287 0.115 0.000 0.893 41 K CB 0.422 33.000 32.500 0.130 0.000 1.025 41 K HN 0.796 nan 8.250 nan 0.000 0.500 42 T N -2.282 112.356 114.554 0.141 0.000 2.937 42 T HA 0.177 4.528 4.350 0.001 0.000 0.283 42 T C -0.815 174.022 174.700 0.229 0.000 1.012 42 T CA -0.834 61.362 62.100 0.159 0.000 0.997 42 T CB 0.597 69.552 68.868 0.145 0.000 1.136 42 T HN 0.533 nan 8.240 nan 0.000 0.551 43 Y N 2.452 122.823 120.300 0.119 0.000 2.486 43 Y HA 0.399 4.950 4.550 0.001 0.000 0.348 43 Y C 0.929 176.990 175.900 0.268 0.000 1.000 43 Y CA -0.307 57.904 58.100 0.185 0.000 1.253 43 Y CB -0.031 38.498 38.460 0.116 0.000 1.140 43 Y HN 1.029 nan 8.280 nan 0.000 0.526 44 T N 2.465 117.025 114.554 0.010 0.000 2.862 44 T HA 0.147 4.498 4.350 0.001 0.000 0.276 44 T C 0.938 175.542 174.700 -0.159 0.000 0.974 44 T CA -0.683 61.463 62.100 0.077 0.000 0.966 44 T CB 1.161 70.042 68.868 0.021 0.000 1.072 44 T HN 0.682 nan 8.240 nan 0.000 0.538 45 L N 0.870 121.834 121.223 -0.432 0.000 2.046 45 L HA 0.037 4.378 4.340 0.001 0.000 0.208 45 L C 2.607 179.317 176.870 -0.267 0.000 1.077 45 L CA 2.155 56.596 54.840 -0.665 0.000 0.747 45 L CB -1.520 40.039 42.059 -0.832 0.000 0.896 45 L HN 0.952 nan 8.230 nan 0.000 0.432 46 T N -0.443 113.988 114.554 -0.205 0.000 2.788 46 T HA -0.160 4.190 4.350 0.001 0.000 0.268 46 T C 1.483 176.083 174.700 -0.166 0.000 1.044 46 T CA 1.474 63.485 62.100 -0.149 0.000 1.139 46 T CB -0.390 68.416 68.868 -0.103 0.000 0.867 46 T HN 0.407 nan 8.240 nan 0.000 0.454 47 D N 0.159 120.425 120.400 -0.224 0.000 2.117 47 D HA -0.093 4.547 4.640 0.001 0.000 0.197 47 D C 1.760 177.941 176.300 -0.199 0.000 0.987 47 D CA 1.052 54.884 54.000 -0.279 0.000 0.829 47 D CB -0.401 40.125 40.800 -0.457 0.000 0.961 47 D HN 0.426 nan 8.370 nan 0.000 0.460 48 Y N 1.637 121.728 120.300 -0.348 0.000 2.133 48 Y HA -0.109 4.442 4.550 0.001 0.000 0.287 48 Y C 2.207 178.105 175.900 -0.003 0.000 1.134 48 Y CA 1.196 59.274 58.100 -0.036 0.000 1.133 48 Y CB -0.644 37.860 38.460 0.074 0.000 0.987 48 Y HN -0.109 nan 8.280 nan 0.000 0.502 49 L N 0.024 121.046 121.223 -0.335 0.000 2.083 49 L HA -0.195 4.146 4.340 0.001 0.000 0.209 49 L C 1.991 178.741 176.870 -0.200 0.000 1.083 49 L CA 1.439 56.064 54.840 -0.359 0.000 0.752 49 L CB -0.502 41.423 42.059 -0.223 0.000 0.899 49 L HN 0.092 nan 8.230 nan 0.000 0.433 50 K N -0.347 119.965 120.400 -0.146 0.000 2.404 50 K HA 0.085 4.406 4.320 0.001 0.000 0.194 50 K C 0.211 176.761 176.600 -0.083 0.000 1.023 50 K CA -0.050 56.176 56.287 -0.101 0.000 1.094 50 K CB -0.126 32.317 32.500 -0.094 0.000 0.841 50 K HN 0.211 nan 8.250 nan 0.000 0.523 51 N N 1.114 119.773 118.700 -0.068 0.000 2.740 51 N HA -0.154 4.587 4.740 0.001 0.000 0.248 51 N C 0.396 175.894 175.510 -0.020 0.000 1.062 51 N CA 0.989 54.041 53.050 0.003 0.000 0.704 51 N CB -1.459 37.026 38.487 -0.003 0.000 0.968 51 N HN 0.163 nan 8.380 nan 0.000 0.547 52 T N -1.041 113.448 114.554 -0.109 0.000 2.684 52 T HA -0.176 4.175 4.350 0.001 0.000 0.267 52 T C 0.532 175.042 174.700 -0.317 0.000 1.036 52 T CA 1.369 63.288 62.100 -0.302 0.000 1.148 52 T CB -0.122 68.405 68.868 -0.569 0.000 0.863 52 T HN 0.341 nan 8.240 nan 0.000 0.436 53 Y N 1.833 122.234 120.300 0.169 0.000 2.504 53 Y HA 0.479 5.030 4.550 0.001 0.000 0.339 53 Y C 0.519 176.531 175.900 0.188 0.000 0.974 53 Y CA -0.944 57.275 58.100 0.199 0.000 1.232 53 Y CB 0.295 38.936 38.460 0.301 0.000 1.108 53 Y HN -0.121 nan 8.280 nan 0.000 0.509 54 R N 2.448 123.092 120.500 0.239 0.000 2.368 54 R HA 0.500 4.841 4.340 0.001 0.000 0.302 54 R C -1.140 175.266 176.300 0.177 0.000 1.002 54 R CA -1.076 55.133 56.100 0.182 0.000 0.929 54 R CB 1.068 31.433 30.300 0.108 0.000 1.073 54 R HN 0.428 nan 8.270 nan 0.000 0.464 55 L N 3.071 124.399 121.223 0.175 0.000 2.349 55 L HA 0.250 4.591 4.340 0.001 0.000 0.275 55 L C 0.314 177.259 176.870 0.125 0.000 1.115 55 L CA 0.401 55.337 54.840 0.162 0.000 0.820 55 L CB 0.722 42.897 42.059 0.193 0.000 1.135 55 L HN 0.356 nan 8.230 nan 0.000 0.445 56 K N 2.620 123.087 120.400 0.112 0.000 2.118 56 K HA 0.616 4.937 4.320 0.001 0.000 0.267 56 K C -0.839 175.797 176.600 0.059 0.000 0.991 56 K CA -0.629 55.703 56.287 0.076 0.000 0.916 56 K CB 1.190 33.731 32.500 0.068 0.000 1.041 56 K HN 0.233 nan 8.250 nan 0.000 0.455 57 L N 1.309 122.504 121.223 -0.046 0.000 2.211 57 L HA 0.467 4.807 4.340 0.001 0.000 0.259 57 L C -1.144 175.481 176.870 -0.408 0.000 1.031 57 L CA -0.630 54.051 54.840 -0.265 0.000 0.877 57 L CB 0.634 42.649 42.059 -0.073 0.000 1.457 57 L HN 0.531 nan 8.230 nan 0.000 0.466 58 Y N -0.179 119.657 120.300 -0.773 0.000 2.532 58 Y HA 0.359 4.909 4.550 0.001 0.000 0.318 58 Y C -0.870 174.888 175.900 -0.237 0.000 1.138 58 Y CA -0.379 57.448 58.100 -0.456 0.000 1.306 58 Y CB 1.064 39.076 38.460 -0.747 0.000 1.106 58 Y HN 0.420 nan 8.280 nan 0.000 0.588 59 S N 5.617 121.265 115.700 -0.088 0.000 2.400 59 S HA 0.466 4.936 4.470 0.001 0.000 0.295 59 S C -0.376 174.194 174.600 -0.050 0.000 1.113 59 S CA -0.529 57.650 58.200 -0.035 0.000 1.064 59 S CB -0.308 62.873 63.200 -0.030 0.000 0.990 59 S HN 0.551 nan 8.310 nan 0.000 0.502 60 L N 1.846 123.000 121.223 -0.115 0.000 2.335 60 L HA 0.819 5.160 4.340 0.001 0.000 0.268 60 L C -0.213 176.557 176.870 -0.168 0.000 1.016 60 L CA -0.907 53.812 54.840 -0.202 0.000 0.805 60 L CB 0.692 42.313 42.059 -0.730 0.000 1.311 60 L HN 0.325 nan 8.230 nan 0.000 0.456 61 R N -0.081 120.345 120.500 -0.124 0.000 2.518 61 R HA 0.349 4.690 4.340 0.001 0.000 0.296 61 R C -1.868 174.447 176.300 0.025 0.000 1.080 61 R CA -0.275 55.815 56.100 -0.017 0.000 0.922 61 R CB 1.033 31.376 30.300 0.073 0.000 1.184 61 R HN 0.648 nan 8.270 nan 0.000 0.445 62 W N 4.447 125.851 121.300 0.174 0.000 2.251 62 W HA 0.129 4.790 4.660 0.001 0.000 0.327 62 W C 1.518 178.130 176.519 0.155 0.000 1.361 62 W CA -0.377 57.086 57.345 0.196 0.000 1.234 62 W CB 0.459 30.025 29.460 0.176 0.000 1.212 62 W HN 0.656 nan 8.180 nan 0.000 0.557 63 I N 0.093 120.899 120.570 0.392 0.000 4.181 63 I HA 0.282 4.452 4.170 0.001 0.000 0.331 63 I C 0.730 176.989 176.117 0.237 0.000 1.312 63 I CA -0.084 61.359 61.300 0.237 0.000 1.146 63 I CB -0.053 38.023 38.000 0.127 0.000 1.074 63 I HN 0.275 nan 8.210 nan 0.000 0.402 64 S N -0.327 115.561 115.700 0.314 0.000 2.843 64 S HA 0.310 4.781 4.470 0.001 0.000 0.301 64 S C -0.187 174.551 174.600 0.231 0.000 1.206 64 S CA -0.215 58.139 58.200 0.257 0.000 0.875 64 S CB 1.528 64.894 63.200 0.277 0.000 1.248 64 S HN 0.059 nan 8.310 nan 0.000 0.555 65 D N -0.928 119.545 120.400 0.121 0.000 2.340 65 D HA 0.230 4.871 4.640 0.001 0.000 0.220 65 D C 0.899 177.061 176.300 -0.229 0.000 1.039 65 D CA 0.660 54.582 54.000 -0.129 0.000 0.866 65 D CB 0.023 40.668 40.800 -0.258 0.000 0.913 65 D HN 0.585 nan 8.370 nan 0.000 0.523 66 H N -1.362 117.875 119.070 0.278 0.000 3.400 66 H HA 0.326 4.883 4.556 0.001 0.000 0.251 66 H C 0.018 175.482 175.328 0.228 0.000 1.040 66 H CA 0.018 56.210 56.048 0.241 0.000 1.175 66 H CB 1.184 31.060 29.762 0.190 0.000 1.487 66 H HN 0.153 nan 8.280 nan 0.000 0.505 67 E N 0.898 121.361 120.200 0.438 0.000 2.336 67 E HA 0.411 4.762 4.350 0.001 0.000 0.267 67 E C -1.412 175.412 176.600 0.374 0.000 0.906 67 E CA -1.057 55.520 56.400 0.295 0.000 0.781 67 E CB 3.190 32.990 29.700 0.167 0.000 1.261 67 E HN 0.103 nan 8.360 nan 0.000 0.436 68 Y N -1.277 119.068 120.300 0.075 0.000 2.597 68 Y HA 0.606 5.157 4.550 0.001 0.000 0.340 68 Y C -1.748 174.161 175.900 0.014 0.000 1.097 68 Y CA -1.319 56.715 58.100 -0.109 0.000 1.037 68 Y CB 0.789 38.840 38.460 -0.682 0.000 1.305 68 Y HN 0.346 nan 8.280 nan 0.000 0.463 69 L N 3.079 124.451 121.223 0.249 0.000 2.334 69 L HA 0.531 4.872 4.340 0.001 0.000 0.275 69 L C -1.335 175.754 176.870 0.365 0.000 1.036 69 L CA -1.014 53.953 54.840 0.211 0.000 0.807 69 L CB 1.583 43.676 42.059 0.057 0.000 1.231 69 L HN 0.781 nan 8.230 nan 0.000 0.438 70 Y N 2.490 122.903 120.300 0.189 0.000 2.401 70 Y HA 0.266 4.816 4.550 0.001 0.000 0.330 70 Y C -0.688 175.245 175.900 0.055 0.000 1.071 70 Y CA -1.248 56.887 58.100 0.058 0.000 1.049 70 Y CB 1.525 39.988 38.460 0.004 0.000 1.239 70 Y HN 0.452 nan 8.280 nan 0.000 0.437 71 K N 5.588 125.656 120.400 -0.553 0.000 2.284 71 K HA 0.288 4.609 4.320 0.001 0.000 0.287 71 K C -1.099 175.147 176.600 -0.592 0.000 1.081 71 K CA -0.280 55.763 56.287 -0.407 0.000 0.910 71 K CB 0.617 32.990 32.500 -0.212 0.000 1.088 71 K HN 0.862 nan 8.250 nan 0.000 0.478 72 Q N 3.896 123.526 119.800 -0.285 0.000 2.292 72 Q HA 0.122 4.463 4.340 0.001 0.000 0.270 72 Q C -1.203 174.758 176.000 -0.065 0.000 1.024 72 Q CA -0.214 55.499 55.803 -0.150 0.000 0.768 72 Q CB 1.144 29.924 28.738 0.070 0.000 1.250 72 Q HN 0.750 nan 8.270 nan 0.000 0.447 73 E N 3.200 123.364 120.200 -0.059 0.000 2.694 73 E HA -0.338 4.012 4.350 0.001 0.000 0.272 73 E C -0.313 176.258 176.600 -0.048 0.000 1.040 73 E CA 0.562 56.940 56.400 -0.037 0.000 0.809 73 E CB -1.106 28.585 29.700 -0.015 0.000 1.389 73 E HN 0.935 nan 8.360 nan 0.000 0.413 74 N N -1.249 117.410 118.700 -0.068 0.000 2.936 74 N HA -0.163 4.578 4.740 0.001 0.000 0.236 74 N C -0.728 174.737 175.510 -0.075 0.000 0.930 74 N CA 1.229 54.240 53.050 -0.064 0.000 0.966 74 N CB -0.826 37.637 38.487 -0.041 0.000 1.090 74 N HN 0.386 nan 8.380 nan 0.000 0.592 75 N N 0.740 119.394 118.700 -0.077 0.000 2.443 75 N HA 0.404 5.145 4.740 0.001 0.000 0.295 75 N C 0.120 175.580 175.510 -0.084 0.000 1.076 75 N CA -0.218 52.788 53.050 -0.073 0.000 0.919 75 N CB 1.254 39.711 38.487 -0.049 0.000 1.176 75 N HN 0.137 nan 8.380 nan 0.000 0.487 76 I N 2.999 123.519 120.570 -0.084 0.000 2.321 76 I HA 0.293 4.463 4.170 0.001 0.000 0.291 76 I C -0.027 176.118 176.117 0.047 0.000 0.998 76 I CA -0.431 60.824 61.300 -0.074 0.000 1.227 76 I CB 0.770 38.650 38.000 -0.200 0.000 1.368 76 I HN 0.188 nan 8.210 nan 0.000 0.466 77 L N 6.651 127.925 121.223 0.085 0.000 2.322 77 L HA 0.651 4.992 4.340 0.001 0.000 0.269 77 L C -0.371 176.547 176.870 0.078 0.000 1.012 77 L CA -1.080 53.796 54.840 0.060 0.000 0.815 77 L CB 2.155 44.211 42.059 -0.006 0.000 1.295 77 L HN 0.301 nan 8.230 nan 0.000 0.438 78 V N 1.501 121.390 119.914 -0.042 0.000 2.459 78 V HA 0.531 4.651 4.120 0.001 0.000 0.295 78 V C -1.067 174.867 176.094 -0.267 0.000 1.029 78 V CA -0.198 62.074 62.300 -0.046 0.000 0.874 78 V CB 1.381 33.238 31.823 0.057 0.000 0.985 78 V HN 0.479 nan 8.190 nan 0.000 0.438 79 F N 5.280 124.979 119.950 -0.417 0.000 2.480 79 F HA 0.502 5.030 4.527 0.001 0.000 0.329 79 F C 0.462 175.997 175.800 -0.442 0.000 1.091 79 F CA -0.525 57.140 58.000 -0.559 0.000 0.972 79 F CB 1.755 40.040 39.000 -1.190 0.000 1.150 79 F HN 0.537 nan 8.300 nan 0.000 0.467 80 N N 2.037 120.692 118.700 -0.076 0.000 2.426 80 N HA 0.259 5.000 4.740 0.001 0.000 0.257 80 N C 0.395 175.878 175.510 -0.046 0.000 1.002 80 N CA 0.086 53.128 53.050 -0.013 0.000 0.942 80 N CB 1.827 40.352 38.487 0.063 0.000 1.112 80 N HN 0.816 nan 8.380 nan 0.000 0.499 81 A N 3.673 126.413 122.820 -0.133 0.000 1.933 81 A HA -0.168 4.153 4.320 0.001 0.000 0.218 81 A C 1.874 179.250 177.584 -0.346 0.000 1.175 81 A CA 1.407 53.273 52.037 -0.285 0.000 0.628 81 A CB -0.399 18.188 19.000 -0.689 0.000 0.814 81 A HN 0.784 nan 8.150 nan 0.000 0.444 82 E N -0.780 119.213 120.200 -0.345 0.000 2.051 82 E HA -0.165 4.186 4.350 0.001 0.000 0.192 82 E C 1.407 177.726 176.600 -0.470 0.000 0.991 82 E CA 1.820 58.021 56.400 -0.331 0.000 0.799 82 E CB -0.397 29.045 29.700 -0.429 0.000 0.748 82 E HN 0.754 nan 8.360 nan 0.000 0.449 83 Y N -2.132 118.187 120.300 0.032 0.000 2.507 83 Y HA 0.310 4.861 4.550 0.001 0.000 0.263 83 Y C 1.641 177.557 175.900 0.027 0.000 1.093 83 Y CA 0.179 58.296 58.100 0.028 0.000 1.285 83 Y CB 1.032 39.504 38.460 0.020 0.000 1.115 83 Y HN 0.220 nan 8.280 nan 0.000 0.533 84 G N 0.867 109.754 108.800 0.145 0.000 2.176 84 G HA2 -0.305 3.655 3.960 0.001 0.000 0.253 84 G HA3 -0.305 3.655 3.960 0.001 0.000 0.253 84 G C -0.035 174.977 174.900 0.186 0.000 0.979 84 G CA 0.137 45.337 45.100 0.167 0.000 0.641 84 G HN 0.434 nan 8.290 nan 0.000 0.530 85 N N 0.728 119.495 118.700 0.113 0.000 2.503 85 N HA 0.547 5.288 4.740 0.001 0.000 0.267 85 N C 0.120 175.530 175.510 -0.165 0.000 1.214 85 N CA 0.738 53.786 53.050 -0.003 0.000 0.959 85 N CB 1.545 40.030 38.487 -0.003 0.000 1.142 85 N HN 0.955 nan 8.380 nan 0.000 0.455 86 S N -0.338 115.166 115.700 -0.327 0.000 2.685 86 S HA 0.756 5.226 4.470 0.001 0.000 0.282 86 S C -0.890 173.508 174.600 -0.338 0.000 1.159 86 S CA -0.809 57.045 58.200 -0.575 0.000 0.833 86 S CB 1.548 63.926 63.200 -1.371 0.000 1.151 86 S HN 0.637 nan 8.310 nan 0.000 0.485 87 S N -0.277 115.242 115.700 -0.301 0.000 2.618 87 S HA 0.643 5.114 4.470 0.001 0.000 0.277 87 S C -1.133 173.388 174.600 -0.133 0.000 1.138 87 S CA -0.738 57.361 58.200 -0.167 0.000 0.844 87 S CB 1.619 64.756 63.200 -0.105 0.000 1.127 87 S HN 0.748 nan 8.310 nan 0.000 0.474 88 V N 2.693 122.553 119.914 -0.089 0.000 2.432 88 V HA 0.243 4.364 4.120 0.001 0.000 0.271 88 V C 0.347 176.430 176.094 -0.019 0.000 1.046 88 V CA 0.023 62.291 62.300 -0.053 0.000 0.945 88 V CB 0.366 32.147 31.823 -0.070 0.000 0.992 88 V HN 0.933 nan 8.190 nan 0.000 0.471 89 F N 5.473 125.362 119.950 -0.101 0.000 2.262 89 F HA 0.361 4.889 4.527 0.001 0.000 0.292 89 F C 0.391 176.137 175.800 -0.090 0.000 1.081 89 F CA 0.815 58.765 58.000 -0.083 0.000 1.355 89 F CB 0.539 39.502 39.000 -0.062 0.000 1.069 89 F HN 0.368 nan 8.300 nan 0.000 0.506 90 L N 0.947 122.208 121.223 0.063 0.000 2.493 90 L HA 0.346 4.687 4.340 0.001 0.000 0.265 90 L C -1.105 175.708 176.870 -0.095 0.000 0.954 90 L CA -0.596 54.212 54.840 -0.055 0.000 0.844 90 L CB 1.594 43.685 42.059 0.053 0.000 1.302 90 L HN -0.172 nan 8.230 nan 0.000 0.405 91 E N 3.172 123.276 120.200 -0.160 0.000 2.316 91 E HA 0.108 4.458 4.350 0.001 0.000 0.275 91 E C 0.545 177.057 176.600 -0.147 0.000 1.029 91 E CA -0.102 56.209 56.400 -0.148 0.000 0.871 91 E CB 0.845 30.445 29.700 -0.166 0.000 1.022 91 E HN 0.642 nan 8.360 nan 0.000 0.418 92 N N 1.269 119.910 118.700 -0.098 0.000 2.443 92 N HA -0.164 4.577 4.740 0.001 0.000 0.184 92 N C 1.094 176.564 175.510 -0.067 0.000 1.037 92 N CA 1.095 54.104 53.050 -0.068 0.000 0.896 92 N CB -0.009 38.446 38.487 -0.052 0.000 0.959 92 N HN 0.289 nan 8.380 nan 0.000 0.442 93 S N -0.980 114.659 115.700 -0.103 0.000 2.492 93 S HA 0.038 4.508 4.470 0.001 0.000 0.218 93 S C 1.645 176.143 174.600 -0.170 0.000 1.016 93 S CA 0.289 58.429 58.200 -0.099 0.000 0.916 93 S CB -0.569 62.579 63.200 -0.086 0.000 0.791 93 S HN 0.175 nan 8.310 nan 0.000 0.513 94 T N 1.975 116.342 114.554 -0.312 0.000 2.714 94 T HA -0.116 4.235 4.350 0.001 0.000 0.268 94 T C 0.392 174.672 174.700 -0.701 0.000 1.036 94 T CA 1.645 63.391 62.100 -0.591 0.000 1.148 94 T CB -0.556 67.724 68.868 -0.981 0.000 0.856 94 T HN 0.560 nan 8.240 nan 0.000 0.462 95 F N 0.911 120.757 119.950 -0.172 0.000 2.750 95 F HA 0.321 4.848 4.527 0.001 0.000 0.297 95 F C 1.360 177.161 175.800 0.001 0.000 1.138 95 F CA -1.253 56.677 58.000 -0.118 0.000 1.346 95 F CB -0.178 38.657 39.000 -0.274 0.000 0.965 95 F HN -0.044 nan 8.300 nan 0.000 0.514 96 D N 0.971 121.416 120.400 0.075 0.000 2.127 96 D HA -0.201 4.439 4.640 0.001 0.000 0.190 96 D C 1.258 177.612 176.300 0.091 0.000 1.000 96 D CA 1.615 55.653 54.000 0.064 0.000 0.839 96 D CB 0.007 40.812 40.800 0.009 0.000 0.955 96 D HN 0.256 nan 8.370 nan 0.000 0.446 97 E N -0.417 119.833 120.200 0.084 0.000 2.301 97 E HA 0.041 4.391 4.350 0.001 0.000 0.195 97 E C 0.784 177.441 176.600 0.096 0.000 1.171 97 E CA -0.303 56.133 56.400 0.060 0.000 1.142 97 E CB -0.595 29.124 29.700 0.031 0.000 1.218 97 E HN 0.208 nan 8.360 nan 0.000 0.448 98 F N 0.006 119.963 119.950 0.013 0.000 2.325 98 F HA 0.070 4.598 4.527 0.001 0.000 0.299 98 F C 1.801 177.535 175.800 -0.109 0.000 1.090 98 F CA 1.492 59.492 58.000 0.000 0.000 1.392 98 F CB 0.107 39.118 39.000 0.020 0.000 1.053 98 F HN 0.212 nan 8.300 nan 0.000 0.521 99 G N -0.717 107.964 108.800 -0.198 0.000 4.365 99 G HA2 -0.282 3.678 3.960 0.001 0.000 0.214 99 G HA3 -0.282 3.678 3.960 0.001 0.000 0.214 99 G C 0.406 175.070 174.900 -0.394 0.000 1.450 99 G CA 0.182 45.040 45.100 -0.403 0.000 0.937 99 G HN 0.480 nan 8.290 nan 0.000 0.625 100 H N 1.174 120.059 119.070 -0.309 0.000 2.690 100 H HA 0.526 5.083 4.556 0.001 0.000 0.365 100 H C 0.244 175.642 175.328 0.116 0.000 1.142 100 H CA 0.788 56.765 56.048 -0.118 0.000 1.417 100 H CB 1.221 30.731 29.762 -0.419 0.000 1.446 100 H HN 0.319 nan 8.280 nan 0.000 0.599 101 S N 1.884 117.723 115.700 0.232 0.000 2.465 101 S HA 0.245 4.716 4.470 0.001 0.000 0.279 101 S C 0.314 175.018 174.600 0.172 0.000 1.201 101 S CA -0.801 57.495 58.200 0.161 0.000 1.053 101 S CB -0.423 62.843 63.200 0.111 0.000 0.953 101 S HN 0.343 nan 8.310 nan 0.000 0.488 102 I N 5.222 125.842 120.570 0.085 0.000 2.471 102 I HA 0.151 4.321 4.170 0.001 0.000 0.286 102 I C 1.402 177.533 176.117 0.023 0.000 1.079 102 I CA -0.259 61.053 61.300 0.020 0.000 1.398 102 I CB 0.743 38.661 38.000 -0.136 0.000 1.403 102 I HN 0.685 nan 8.210 nan 0.000 0.530 103 N N 3.415 122.129 118.700 0.024 0.000 2.305 103 N HA -0.029 4.712 4.740 0.001 0.000 0.179 103 N C 0.029 175.505 175.510 -0.056 0.000 1.019 103 N CA 0.930 53.949 53.050 -0.051 0.000 0.869 103 N CB 0.484 38.913 38.487 -0.097 0.000 1.000 103 N HN 0.685 nan 8.380 nan 0.000 0.431 104 D N -2.567 117.830 120.400 -0.006 0.000 2.665 104 D HA 0.177 4.818 4.640 0.001 0.000 0.287 104 D C -1.634 174.722 176.300 0.094 0.000 1.266 104 D CA -0.492 53.513 54.000 0.008 0.000 0.830 104 D CB 1.052 41.825 40.800 -0.045 0.000 1.356 104 D HN 0.085 nan 8.370 nan 0.000 0.437 105 Y N -1.319 119.003 120.300 0.037 0.000 2.609 105 Y HA 0.738 5.289 4.550 0.001 0.000 0.342 105 Y C -1.102 174.877 175.900 0.131 0.000 1.058 105 Y CA -0.940 57.198 58.100 0.064 0.000 1.055 105 Y CB 1.818 40.298 38.460 0.034 0.000 1.292 105 Y HN 0.144 nan 8.280 nan 0.000 0.476 106 S N 2.252 118.163 115.700 0.352 0.000 2.614 106 S HA 0.490 4.961 4.470 0.001 0.000 0.259 106 S C -1.765 173.173 174.600 0.563 0.000 1.118 106 S CA -0.452 57.947 58.200 0.332 0.000 1.065 106 S CB -0.028 63.338 63.200 0.276 0.000 1.121 106 S HN 0.631 nan 8.310 nan 0.000 0.458 107 I N 4.651 125.464 120.570 0.404 0.000 2.496 107 I HA 0.240 4.411 4.170 0.001 0.000 0.285 107 I C 1.130 177.174 176.117 -0.122 0.000 1.080 107 I CA 0.433 61.862 61.300 0.215 0.000 1.404 107 I CB 1.379 39.432 38.000 0.089 0.000 1.403 107 I HN 0.742 nan 8.210 nan 0.000 0.539 108 S N 6.489 121.824 115.700 -0.608 0.000 2.569 108 S HA 0.136 4.607 4.470 0.001 0.000 0.274 108 S C -1.777 172.546 174.600 -0.462 0.000 1.353 108 S CA -0.805 56.613 58.200 -1.304 0.000 1.023 108 S CB 0.104 62.413 63.200 -1.486 0.000 0.876 108 S HN 0.477 nan 8.310 nan 0.000 0.540 109 P HA -0.118 nan 4.420 nan 0.000 0.217 109 P C 0.549 177.811 177.300 -0.062 0.000 1.148 109 P CA 1.572 64.605 63.100 -0.111 0.000 0.828 109 P CB -0.210 31.444 31.700 -0.077 0.000 0.783 110 D N -2.095 118.262 120.400 -0.073 0.000 2.336 110 D HA 0.141 4.782 4.640 0.001 0.000 0.228 110 D C 1.356 177.664 176.300 0.014 0.000 1.120 110 D CA 0.122 54.122 54.000 0.000 0.000 0.839 110 D CB -1.252 39.578 40.800 0.050 0.000 0.932 110 D HN 0.145 nan 8.370 nan 0.000 0.509 111 G N 0.351 109.159 108.800 0.012 0.000 2.200 111 G HA2 -0.457 3.504 3.960 0.001 0.000 0.268 111 G HA3 -0.457 3.504 3.960 0.001 0.000 0.268 111 G C 1.021 175.960 174.900 0.065 0.000 0.986 111 G CA 0.870 46.052 45.100 0.137 0.000 0.677 111 G HN 0.487 nan 8.290 nan 0.000 0.532 112 Q N -1.682 118.050 119.800 -0.113 0.000 2.269 112 Q HA 0.315 4.656 4.340 0.001 0.000 0.201 112 Q C 0.352 175.899 176.000 -0.756 0.000 0.946 112 Q CA 0.684 56.221 55.803 -0.443 0.000 0.877 112 Q CB 0.271 28.672 28.738 -0.562 0.000 0.963 112 Q HN 0.590 nan 8.270 nan 0.000 0.472 113 F N -0.763 119.146 119.950 -0.069 0.000 2.620 113 F HA 0.522 5.049 4.527 0.001 0.000 0.320 113 F C -0.612 175.311 175.800 0.205 0.000 1.069 113 F CA -1.245 56.795 58.000 0.066 0.000 0.953 113 F CB 1.736 40.785 39.000 0.081 0.000 1.322 113 F HN -0.223 nan 8.300 nan 0.000 0.479 114 I N 2.768 123.702 120.570 0.607 0.000 2.512 114 I HA 0.451 4.621 4.170 0.001 0.000 0.287 114 I C -1.895 174.552 176.117 0.549 0.000 1.069 114 I CA -0.958 60.682 61.300 0.565 0.000 1.056 114 I CB 1.307 39.587 38.000 0.467 0.000 1.229 114 I HN 0.523 nan 8.210 nan 0.000 0.429 115 L N 8.371 129.943 121.223 0.581 0.000 2.313 115 L HA 0.449 4.790 4.340 0.001 0.000 0.282 115 L C -1.085 175.932 176.870 0.244 0.000 1.092 115 L CA 0.118 55.157 54.840 0.331 0.000 0.831 115 L CB 0.809 42.938 42.059 0.116 0.000 1.159 115 L HN 0.513 nan 8.230 nan 0.000 0.442 116 L N 5.218 126.525 121.223 0.140 0.000 2.282 116 L HA 0.471 4.811 4.340 0.001 0.000 0.288 116 L C 0.044 177.000 176.870 0.142 0.000 1.033 116 L CA -0.399 54.434 54.840 -0.012 0.000 0.807 116 L CB 1.373 43.181 42.059 -0.417 0.000 1.209 116 L HN 0.623 nan 8.230 nan 0.000 0.423 117 E N 3.923 124.182 120.200 0.098 0.000 2.175 117 E HA 0.471 4.821 4.350 0.001 0.000 0.278 117 E C -1.623 175.006 176.600 0.048 0.000 0.969 117 E CA -0.505 55.853 56.400 -0.070 0.000 0.796 117 E CB 1.221 30.944 29.700 0.038 0.000 1.104 117 E HN 0.445 nan 8.360 nan 0.000 0.395 118 Y N 1.543 121.686 120.300 -0.261 0.000 2.705 118 Y HA 0.433 4.984 4.550 0.001 0.000 0.332 118 Y C -0.279 175.548 175.900 -0.122 0.000 1.221 118 Y CA -1.605 56.430 58.100 -0.108 0.000 1.059 118 Y CB 0.467 38.934 38.460 0.012 0.000 1.298 118 Y HN 0.534 nan 8.280 nan 0.000 0.459 119 N N -0.344 118.386 118.700 0.050 0.000 2.754 119 N HA -0.291 4.450 4.740 0.001 0.000 0.248 119 N C -0.973 174.508 175.510 -0.049 0.000 1.093 119 N CA 0.962 53.987 53.050 -0.043 0.000 0.699 119 N CB -1.600 36.746 38.487 -0.234 0.000 1.016 119 N HN 0.877 nan 8.380 nan 0.000 0.552 120 Y N 0.113 120.345 120.300 -0.113 0.000 2.717 120 Y HA 0.253 4.804 4.550 0.001 0.000 0.330 120 Y C 0.101 175.959 175.900 -0.070 0.000 1.217 120 Y CA 0.150 58.176 58.100 -0.123 0.000 1.506 120 Y CB 0.678 39.023 38.460 -0.191 0.000 1.268 120 Y HN -0.014 nan 8.280 nan 0.000 0.561 121 V N 8.050 127.592 119.914 -0.619 0.000 2.462 121 V HA 0.187 4.308 4.120 0.001 0.000 0.288 121 V C -0.301 175.392 176.094 -0.669 0.000 1.020 121 V CA -1.400 60.621 62.300 -0.465 0.000 0.857 121 V CB 1.272 32.960 31.823 -0.225 0.000 1.013 121 V HN 0.762 nan 8.190 nan 0.000 0.431 122 K N 3.481 123.497 120.400 -0.641 0.000 2.414 122 K HA 0.209 4.529 4.320 0.001 0.000 0.272 122 K C 0.411 176.852 176.600 -0.266 0.000 0.993 122 K CA 0.302 56.366 56.287 -0.371 0.000 0.964 122 K CB 1.162 33.658 32.500 -0.008 0.000 0.925 122 K HN 0.811 nan 8.250 nan 0.000 0.487 123 Q N 2.637 122.267 119.800 -0.283 0.000 2.653 123 Q HA 0.174 4.515 4.340 0.001 0.000 0.212 123 Q C 0.041 175.794 176.000 -0.411 0.000 0.951 123 Q CA -0.427 55.014 55.803 -0.602 0.000 0.535 123 Q CB 0.128 28.327 28.738 -0.897 0.000 3.737 123 Q HN 0.725 nan 8.270 nan 0.000 0.401 124 W N 0.332 121.629 121.300 -0.005 0.000 1.705 124 W HA 0.296 4.957 4.660 0.001 0.000 0.634 124 W C 1.923 178.428 176.519 -0.023 0.000 1.570 124 W CA -0.469 56.892 57.345 0.027 0.000 1.631 124 W CB -0.181 29.236 29.460 -0.072 0.000 3.266 124 W HN 0.338 nan 8.180 nan 0.000 0.778 125 R N -0.710 119.885 120.500 0.159 0.000 2.073 125 R HA -0.122 4.219 4.340 0.001 0.000 0.229 125 R C 1.796 177.959 176.300 -0.228 0.000 1.120 125 R CA 1.860 57.887 56.100 -0.122 0.000 0.967 125 R CB -0.441 29.643 30.300 -0.360 0.000 0.862 125 R HN 0.455 nan 8.270 nan 0.000 0.436 126 H N -0.776 118.364 119.070 0.116 0.000 2.695 126 H HA 0.199 4.756 4.556 0.001 0.000 0.267 126 H C 0.543 175.955 175.328 0.139 0.000 0.973 126 H CA 0.572 56.708 56.048 0.146 0.000 1.223 126 H CB 0.111 29.930 29.762 0.096 0.000 1.442 126 H HN 0.215 nan 8.280 nan 0.000 0.478 127 S N 1.347 117.034 115.700 -0.022 0.000 2.579 127 S HA 0.332 4.803 4.470 0.001 0.000 0.275 127 S C -0.282 174.203 174.600 -0.191 0.000 1.345 127 S CA -0.405 57.489 58.200 -0.510 0.000 1.031 127 S CB 0.523 62.859 63.200 -1.440 0.000 0.892 127 S HN 0.458 nan 8.310 nan 0.000 0.529 128 Y N -2.378 117.794 120.300 -0.214 0.000 2.717 128 Y HA 0.607 5.157 4.550 0.001 0.000 0.345 128 Y C -0.859 175.035 175.900 -0.010 0.000 1.187 128 Y CA -0.827 57.147 58.100 -0.211 0.000 1.128 128 Y CB 0.423 38.711 38.460 -0.287 0.000 1.360 128 Y HN 0.921 nan 8.280 nan 0.000 0.467 129 T N 0.128 114.757 114.554 0.125 0.000 2.932 129 T HA 1.025 5.376 4.350 0.001 0.000 0.289 129 T C -0.441 174.340 174.700 0.135 0.000 1.039 129 T CA -0.049 62.136 62.100 0.142 0.000 1.024 129 T CB 1.803 70.701 68.868 0.050 0.000 1.090 129 T HN 1.863 nan 8.240 nan 0.000 0.496 130 A N 1.105 123.974 122.820 0.081 0.000 2.529 130 A HA 0.835 5.156 4.320 0.001 0.000 0.296 130 A C -0.667 176.657 177.584 -0.433 0.000 1.205 130 A CA -0.995 50.927 52.037 -0.192 0.000 0.671 130 A CB 1.114 19.976 19.000 -0.231 0.000 1.301 130 A HN 0.884 nan 8.150 nan 0.000 0.450 131 S N -0.784 114.415 115.700 -0.835 0.000 2.537 131 S HA 0.794 5.265 4.470 0.001 0.000 0.301 131 S C -1.552 172.346 174.600 -1.170 0.000 1.092 131 S CA -0.114 57.514 58.200 -0.952 0.000 1.048 131 S CB 0.800 63.177 63.200 -1.372 0.000 1.053 131 S HN 0.447 nan 8.310 nan 0.000 0.501 132 Y N 0.208 120.306 120.300 -0.336 0.000 2.545 132 Y HA 0.603 5.153 4.550 0.001 0.000 0.348 132 Y C -0.231 175.708 175.900 0.065 0.000 1.002 132 Y CA -0.903 57.141 58.100 -0.093 0.000 1.039 132 Y CB 1.787 40.127 38.460 -0.200 0.000 1.271 132 Y HN 0.492 nan 8.280 nan 0.000 0.467 133 D N 1.141 121.729 120.400 0.313 0.000 2.596 133 D HA 0.591 5.232 4.640 0.001 0.000 0.234 133 D C -1.220 175.197 176.300 0.195 0.000 1.181 133 D CA -0.367 53.786 54.000 0.254 0.000 0.856 133 D CB 2.627 43.650 40.800 0.372 0.000 1.498 133 D HN 0.390 nan 8.370 nan 0.000 0.446 134 I N 1.528 122.218 120.570 0.201 0.000 2.466 134 I HA 0.275 4.445 4.170 0.001 0.000 0.289 134 I C -1.197 175.148 176.117 0.380 0.000 1.026 134 I CA -0.992 60.470 61.300 0.269 0.000 1.078 134 I CB 1.891 40.006 38.000 0.192 0.000 1.249 134 I HN 0.227 nan 8.210 nan 0.000 0.429 135 Y N 5.422 125.911 120.300 0.315 0.000 2.331 135 Y HA 0.290 4.841 4.550 0.001 0.000 0.338 135 Y C -0.064 176.045 175.900 0.349 0.000 0.992 135 Y CA -0.520 57.781 58.100 0.335 0.000 1.121 135 Y CB 1.125 39.846 38.460 0.436 0.000 1.184 135 Y HN 0.479 nan 8.280 nan 0.000 0.469 136 D N 6.638 126.961 120.400 -0.129 0.000 2.352 136 D HA 0.073 4.713 4.640 0.001 0.000 0.245 136 D C 0.804 176.815 176.300 -0.481 0.000 1.224 136 D CA 0.357 54.236 54.000 -0.202 0.000 0.879 136 D CB 0.907 41.631 40.800 -0.128 0.000 1.057 136 D HN 0.873 nan 8.370 nan 0.000 0.491 137 L N 3.631 124.667 121.223 -0.311 0.000 2.201 137 L HA -0.148 4.192 4.340 0.001 0.000 0.212 137 L C 2.060 178.769 176.870 -0.267 0.000 1.105 137 L CA 0.457 55.186 54.840 -0.187 0.000 0.775 137 L CB -0.222 41.757 42.059 -0.133 0.000 0.913 137 L HN 0.357 nan 8.230 nan 0.000 0.440 138 N N 1.339 119.834 118.700 -0.342 0.000 2.051 138 N HA -0.162 4.579 4.740 0.001 0.000 0.192 138 N C 1.444 176.826 175.510 -0.214 0.000 1.049 138 N CA 1.410 54.303 53.050 -0.261 0.000 0.845 138 N CB -0.281 38.045 38.487 -0.268 0.000 1.031 138 N HN 0.448 nan 8.380 nan 0.000 0.425 139 K N 1.291 121.556 120.400 -0.226 0.000 2.546 139 K HA 0.192 4.512 4.320 0.001 0.000 0.198 139 K C -0.304 176.162 176.600 -0.223 0.000 1.028 139 K CA -0.202 55.977 56.287 -0.180 0.000 1.150 139 K CB 0.259 32.678 32.500 -0.135 0.000 0.876 139 K HN -0.136 nan 8.250 nan 0.000 0.508 140 R N 1.173 121.494 120.500 -0.298 0.000 3.358 140 R HA -0.227 4.114 4.340 0.001 0.000 0.248 140 R C -0.635 175.411 176.300 -0.424 0.000 0.981 140 R CA 1.092 57.003 56.100 -0.316 0.000 0.662 140 R CB -2.279 27.975 30.300 -0.077 0.000 1.037 140 R HN 0.805 nan 8.270 nan 0.000 0.460 141 Q N 0.090 119.502 119.800 -0.647 0.000 2.372 141 Q HA 0.483 4.823 4.340 0.001 0.000 0.273 141 Q C -1.256 174.555 176.000 -0.316 0.000 1.078 141 Q CA -1.027 54.577 55.803 -0.333 0.000 0.806 141 Q CB 1.601 30.256 28.738 -0.139 0.000 1.332 141 Q HN 0.131 nan 8.270 nan 0.000 0.435 142 L N 4.401 125.670 121.223 0.077 0.000 2.290 142 L HA 0.401 4.741 4.340 0.001 0.000 0.284 142 L C -0.590 176.377 176.870 0.160 0.000 1.078 142 L CA 0.056 55.062 54.840 0.277 0.000 0.815 142 L CB 0.778 43.101 42.059 0.439 0.000 1.162 142 L HN 0.660 nan 8.230 nan 0.000 0.435 143 I N 4.450 125.114 120.570 0.157 0.000 2.618 143 I HA 0.044 4.215 4.170 0.001 0.000 0.284 143 I C 1.007 177.177 176.117 0.089 0.000 1.146 143 I CA 0.385 61.746 61.300 0.102 0.000 1.425 143 I CB 0.717 38.771 38.000 0.089 0.000 1.383 143 I HN 0.801 nan 8.210 nan 0.000 0.562 144 T N 0.696 115.283 114.554 0.056 0.000 3.040 144 T HA 0.253 4.603 4.350 0.001 0.000 0.266 144 T C 0.384 175.089 174.700 0.008 0.000 1.005 144 T CA -0.402 61.722 62.100 0.039 0.000 0.906 144 T CB 0.055 68.946 68.868 0.038 0.000 1.082 144 T HN 0.542 nan 8.240 nan 0.000 0.531 145 E N 2.069 122.268 120.200 -0.000 0.000 2.204 145 E HA 0.365 4.716 4.350 0.001 0.000 0.276 145 E C -0.457 176.117 176.600 -0.042 0.000 0.974 145 E CA -0.914 55.474 56.400 -0.020 0.000 0.815 145 E CB 0.710 30.403 29.700 -0.013 0.000 1.119 145 E HN 0.090 nan 8.360 nan 0.000 0.393 146 E N 1.341 121.503 120.200 -0.063 0.000 2.199 146 E HA -0.247 4.103 4.350 0.001 0.000 0.208 146 E C -0.557 175.970 176.600 -0.121 0.000 1.310 146 E CA 0.781 57.125 56.400 -0.094 0.000 0.709 146 E CB -1.636 28.015 29.700 -0.081 0.000 1.127 146 E HN 0.549 nan 8.360 nan 0.000 0.354 147 R N -0.402 120.021 120.500 -0.129 0.000 2.582 147 R HA 0.519 4.860 4.340 0.001 0.000 0.271 147 R C 0.965 177.093 176.300 -0.286 0.000 1.078 147 R CA -0.747 55.260 56.100 -0.156 0.000 1.127 147 R CB 0.694 30.940 30.300 -0.089 0.000 1.038 147 R HN 0.020 nan 8.270 nan 0.000 0.500 148 I N 2.596 122.945 120.570 -0.370 0.000 2.775 148 I HA -0.009 4.162 4.170 0.001 0.000 0.290 148 I C -1.664 174.128 176.117 -0.542 0.000 1.203 148 I CA -1.474 59.433 61.300 -0.655 0.000 1.433 148 I CB 0.117 37.706 38.000 -0.686 0.000 1.354 148 I HN 0.424 nan 8.210 nan 0.000 0.579 149 P HA 0.042 nan 4.420 nan 0.000 0.270 149 P C -0.627 176.449 177.300 -0.374 0.000 1.227 149 P CA -0.247 62.434 63.100 -0.699 0.000 0.788 149 P CB 0.404 31.186 31.700 -1.530 0.000 0.926 150 N N 1.909 120.492 118.700 -0.196 0.000 2.483 150 N HA 0.084 4.824 4.740 0.001 0.000 0.269 150 N C 0.302 175.885 175.510 0.121 0.000 1.209 150 N CA 0.004 53.004 53.050 -0.083 0.000 0.969 150 N CB -0.038 38.402 38.487 -0.078 0.000 1.173 150 N HN 0.424 nan 8.380 nan 0.000 0.475 151 N N -0.600 118.134 118.700 0.057 0.000 2.776 151 N HA -0.149 4.592 4.740 0.001 0.000 0.249 151 N C -0.834 174.829 175.510 0.255 0.000 1.111 151 N CA 0.641 53.765 53.050 0.124 0.000 0.711 151 N CB -1.568 37.001 38.487 0.137 0.000 1.065 151 N HN 0.469 nan 8.380 nan 0.000 0.556 152 T N 0.956 115.657 114.554 0.246 0.000 2.870 152 T HA 0.097 4.448 4.350 0.001 0.000 0.300 152 T C 1.696 176.550 174.700 0.257 0.000 0.989 152 T CA 0.136 62.419 62.100 0.306 0.000 1.139 152 T CB 1.129 70.111 68.868 0.191 0.000 0.920 152 T HN 0.160 nan 8.240 nan 0.000 0.537 153 Q N 1.948 121.885 119.800 0.228 0.000 2.331 153 Q HA 0.137 4.477 4.340 0.001 0.000 0.203 153 Q C 0.146 176.266 176.000 0.200 0.000 0.944 153 Q CA 0.427 56.355 55.803 0.209 0.000 0.892 153 Q CB 0.677 29.475 28.738 0.100 0.000 0.983 153 Q HN 0.707 nan 8.270 nan 0.000 0.482 154 W N -0.641 120.604 121.300 -0.090 0.000 3.700 154 W HA 0.439 5.100 4.660 0.001 0.000 0.279 154 W C -2.447 173.975 176.519 -0.162 0.000 1.270 154 W CA -0.667 56.573 57.345 -0.175 0.000 1.216 154 W CB 0.888 30.172 29.460 -0.293 0.000 1.292 154 W HN -0.297 nan 8.180 nan 0.000 0.557 155 V N 4.266 123.366 119.914 -1.357 0.000 3.012 155 V HA 0.838 4.958 4.120 0.001 0.000 0.307 155 V C -1.517 173.870 176.094 -1.178 0.000 1.166 155 V CA -0.049 61.636 62.300 -1.025 0.000 0.974 155 V CB 2.348 33.538 31.823 -1.056 0.000 1.040 155 V HN 0.653 nan 8.190 nan 0.000 0.428 156 T N 4.926 119.132 114.554 -0.580 0.000 3.291 156 T HA 0.447 4.798 4.350 0.001 0.000 0.344 156 T C -1.266 173.469 174.700 0.057 0.000 1.293 156 T CA -0.312 61.653 62.100 -0.226 0.000 1.108 156 T CB 0.682 69.641 68.868 0.151 0.000 1.231 156 T HN 0.715 nan 8.240 nan 0.000 0.474 157 W N 3.113 124.460 121.300 0.079 0.000 2.079 157 W HA 0.438 5.098 4.660 0.001 0.000 0.354 157 W C 1.316 177.749 176.519 -0.143 0.000 1.302 157 W CA -0.501 56.858 57.345 0.024 0.000 1.281 157 W CB 0.571 30.031 29.460 0.000 0.000 1.165 157 W HN 0.811 nan 8.180 nan 0.000 0.603 158 S N 1.601 117.131 115.700 -0.283 0.000 2.614 158 S HA 0.154 4.625 4.470 0.001 0.000 0.265 158 S C -1.421 172.849 174.600 -0.551 0.000 1.303 158 S CA -1.059 56.287 58.200 -1.424 0.000 1.000 158 S CB 0.998 63.285 63.200 -1.523 0.000 0.935 158 S HN 0.397 nan 8.310 nan 0.000 0.551 159 P HA 0.023 nan 4.420 nan 0.000 0.220 159 P C 0.020 177.250 177.300 -0.116 0.000 1.148 159 P CA 0.760 63.784 63.100 -0.127 0.000 0.803 159 P CB 0.051 31.726 31.700 -0.043 0.000 0.782 160 V N -1.367 118.426 119.914 -0.201 0.000 2.876 160 V HA 0.623 4.744 4.120 0.001 0.000 0.312 160 V C 0.752 176.725 176.094 -0.202 0.000 1.085 160 V CA 0.205 62.417 62.300 -0.148 0.000 0.945 160 V CB 1.144 32.897 31.823 -0.116 0.000 1.017 160 V HN 0.483 nan 8.190 nan 0.000 0.428 161 G N 3.210 111.917 108.800 -0.154 0.000 2.509 161 G HA2 -0.189 3.772 3.960 0.001 0.000 0.256 161 G HA3 -0.189 3.772 3.960 0.001 0.000 0.256 161 G C 0.105 174.899 174.900 -0.176 0.000 1.152 161 G CA 0.516 45.493 45.100 -0.204 0.000 0.951 161 G HN 1.808 nan 8.290 nan 0.000 0.559 162 H N -0.318 118.724 119.070 -0.048 0.000 3.064 162 H HA 0.413 4.970 4.556 0.001 0.000 0.232 162 H C 0.268 175.735 175.328 0.233 0.000 1.308 162 H CA -0.112 55.940 56.048 0.006 0.000 1.010 162 H CB -0.268 29.510 29.762 0.028 0.000 2.408 162 H HN 0.541 nan 8.280 nan 0.000 0.599 163 K N 1.442 121.885 120.400 0.071 0.000 2.138 163 K HA 0.538 4.859 4.320 0.001 0.000 0.251 163 K C -0.328 176.455 176.600 0.307 0.000 1.015 163 K CA -0.473 55.894 56.287 0.135 0.000 0.917 163 K CB 1.607 34.075 32.500 -0.054 0.000 1.021 163 K HN 0.098 nan 8.250 nan 0.000 0.485 164 L N 0.457 121.865 121.223 0.308 0.000 2.388 164 L HA 0.606 4.947 4.340 0.001 0.000 0.264 164 L C -1.134 175.938 176.870 0.337 0.000 0.998 164 L CA -0.882 54.093 54.840 0.225 0.000 0.817 164 L CB 2.218 44.257 42.059 -0.032 0.000 1.338 164 L HN 0.718 nan 8.230 nan 0.000 0.414 165 A N 2.245 125.216 122.820 0.252 0.000 2.381 165 A HA 0.785 5.105 4.320 0.001 0.000 0.299 165 A C -1.625 175.943 177.584 -0.027 0.000 1.049 165 A CA -0.379 51.669 52.037 0.019 0.000 0.715 165 A CB 1.066 19.956 19.000 -0.184 0.000 1.222 165 A HN 0.634 nan 8.150 nan 0.000 0.428 166 Y N -0.401 119.834 120.300 -0.109 0.000 2.638 166 Y HA 0.834 5.385 4.550 0.001 0.000 0.339 166 Y C -1.031 174.867 175.900 -0.003 0.000 1.084 166 Y CA -1.691 56.322 58.100 -0.144 0.000 1.068 166 Y CB 1.212 39.529 38.460 -0.238 0.000 1.294 166 Y HN 0.388 nan 8.280 nan 0.000 0.480 167 V N 1.470 121.502 119.914 0.197 0.000 2.540 167 V HA 0.406 4.527 4.120 0.001 0.000 0.302 167 V C -1.526 174.781 176.094 0.356 0.000 1.035 167 V CA -0.669 61.727 62.300 0.160 0.000 0.873 167 V CB 1.540 33.370 31.823 0.011 0.000 0.992 167 V HN 0.884 nan 8.190 nan 0.000 0.428 168 W N 4.392 125.786 121.300 0.156 0.000 3.129 168 W HA 0.477 5.137 4.660 0.001 0.000 0.333 168 W C 0.241 176.807 176.519 0.079 0.000 1.141 168 W CA -0.813 56.600 57.345 0.113 0.000 1.224 168 W CB 1.352 30.863 29.460 0.084 0.000 1.393 168 W HN 0.769 nan 8.180 nan 0.000 0.499 169 N N 5.043 123.417 118.700 -0.543 0.000 2.716 169 N HA -0.355 4.386 4.740 0.001 0.000 0.250 169 N C 0.057 175.408 175.510 -0.265 0.000 1.033 169 N CA 1.149 53.873 53.050 -0.543 0.000 0.727 169 N CB -1.131 36.852 38.487 -0.840 0.000 0.950 169 N HN 0.768 nan 8.380 nan 0.000 0.541 170 N N -2.245 116.354 118.700 -0.168 0.000 2.800 170 N HA -0.181 4.560 4.740 0.001 0.000 0.250 170 N C -1.283 174.141 175.510 -0.143 0.000 1.078 170 N CA 0.993 53.957 53.050 -0.144 0.000 0.804 170 N CB -0.362 37.998 38.487 -0.211 0.000 1.135 170 N HN 0.460 nan 8.380 nan 0.000 0.565 171 D N 0.418 120.742 120.400 -0.126 0.000 2.433 171 D HA 0.496 5.137 4.640 0.001 0.000 0.236 171 D C 0.100 176.199 176.300 -0.336 0.000 1.026 171 D CA -0.394 53.442 54.000 -0.272 0.000 0.884 171 D CB 1.662 42.254 40.800 -0.347 0.000 1.384 171 D HN 0.013 nan 8.370 nan 0.000 0.477 172 I N 1.753 121.965 120.570 -0.595 0.000 2.396 172 I HA 0.248 4.419 4.170 0.001 0.000 0.292 172 I C -0.692 174.903 176.117 -0.871 0.000 0.999 172 I CA -0.481 60.447 61.300 -0.621 0.000 1.310 172 I CB 0.571 38.138 38.000 -0.723 0.000 1.404 172 I HN 0.155 nan 8.210 nan 0.000 0.496 173 Y N 4.232 124.148 120.300 -0.640 0.000 2.499 173 Y HA 0.643 5.194 4.550 0.001 0.000 0.347 173 Y C -0.261 175.285 175.900 -0.590 0.000 0.987 173 Y CA -0.929 56.752 58.100 -0.698 0.000 1.044 173 Y CB 2.092 39.873 38.460 -1.131 0.000 1.245 173 Y HN 0.125 nan 8.280 nan 0.000 0.461 174 V N 2.501 122.338 119.914 -0.128 0.000 2.656 174 V HA 0.480 4.601 4.120 0.001 0.000 0.307 174 V C -0.913 175.311 176.094 0.216 0.000 1.051 174 V CA -1.427 60.895 62.300 0.038 0.000 0.893 174 V CB 2.088 33.950 31.823 0.067 0.000 0.999 174 V HN 0.620 nan 8.190 nan 0.000 0.426 175 K N 4.137 124.678 120.400 0.236 0.000 2.483 175 K HA 0.488 4.809 4.320 0.001 0.000 0.256 175 K C 0.387 177.133 176.600 0.243 0.000 0.961 175 K CA -0.704 55.722 56.287 0.231 0.000 0.873 175 K CB 1.678 34.276 32.500 0.165 0.000 1.107 175 K HN 0.439 nan 8.250 nan 0.000 0.432 176 I N 1.188 121.926 120.570 0.280 0.000 2.394 176 I HA -0.097 4.074 4.170 0.001 0.000 0.251 176 I C 0.379 176.611 176.117 0.191 0.000 1.136 176 I CA 1.502 62.931 61.300 0.216 0.000 1.425 176 I CB -0.371 37.765 38.000 0.227 0.000 1.079 176 I HN 0.563 nan 8.210 nan 0.000 0.425 177 E N -0.603 119.699 120.200 0.170 0.000 2.314 177 E HA 0.278 4.629 4.350 0.001 0.000 0.272 177 E C -1.917 174.687 176.600 0.008 0.000 0.884 177 E CA -1.866 54.612 56.400 0.131 0.000 0.753 177 E CB 2.043 31.813 29.700 0.116 0.000 1.213 177 E HN -0.192 nan 8.360 nan 0.000 0.432 178 P HA -0.194 nan 4.420 nan 0.000 0.216 178 P C 0.744 177.976 177.300 -0.114 0.000 1.153 178 P CA 1.726 64.687 63.100 -0.233 0.000 0.858 178 P CB 0.206 31.515 31.700 -0.651 0.000 0.789 179 N N -2.084 116.572 118.700 -0.073 0.000 2.336 179 N HA 0.053 4.794 4.740 0.001 0.000 0.189 179 N C 0.225 175.722 175.510 -0.022 0.000 1.113 179 N CA -0.008 53.025 53.050 -0.028 0.000 0.858 179 N CB -0.343 38.146 38.487 0.004 0.000 0.970 179 N HN 0.055 nan 8.380 nan 0.000 0.471 180 L N 0.848 122.061 121.223 -0.017 0.000 2.375 180 L HA 0.511 4.852 4.340 0.001 0.000 0.268 180 L C -2.006 174.826 176.870 -0.062 0.000 1.058 180 L CA -2.591 52.235 54.840 -0.024 0.000 0.803 180 L CB 0.971 43.035 42.059 0.010 0.000 1.212 180 L HN -0.001 nan 8.230 nan 0.000 0.451 181 P HA 0.016 nan 4.420 nan 0.000 0.268 181 P C -0.664 176.495 177.300 -0.234 0.000 1.205 181 P CA -0.246 62.762 63.100 -0.153 0.000 0.771 181 P CB 0.842 32.444 31.700 -0.163 0.000 0.858 182 S N 2.747 118.363 115.700 -0.139 0.000 2.601 182 S HA 0.333 4.804 4.470 0.001 0.000 0.271 182 S C -0.554 173.958 174.600 -0.147 0.000 1.305 182 S CA -0.420 57.737 58.200 -0.071 0.000 1.022 182 S CB 0.057 63.319 63.200 0.102 0.000 0.940 182 S HN 0.307 nan 8.310 nan 0.000 0.525 183 Y N 0.513 120.843 120.300 0.050 0.000 2.326 183 Y HA 0.423 4.974 4.550 0.001 0.000 0.337 183 Y C 1.129 176.973 175.900 -0.092 0.000 1.023 183 Y CA -0.834 57.277 58.100 0.019 0.000 1.143 183 Y CB 0.873 39.339 38.460 0.010 0.000 1.183 183 Y HN 0.507 nan 8.280 nan 0.000 0.485 184 R N 3.860 124.346 120.500 -0.023 0.000 2.316 184 R HA 0.160 4.501 4.340 0.001 0.000 0.314 184 R C 0.289 176.353 176.300 -0.394 0.000 1.069 184 R CA 0.132 55.916 56.100 -0.528 0.000 0.959 184 R CB 0.545 30.363 30.300 -0.804 0.000 0.987 184 R HN 0.788 nan 8.270 nan 0.000 0.446 185 I N 1.387 121.611 120.570 -0.577 0.000 2.628 185 I HA -0.046 4.124 4.170 0.001 0.000 0.255 185 I C 1.317 177.225 176.117 -0.348 0.000 1.119 185 I CA 1.069 62.153 61.300 -0.360 0.000 1.448 185 I CB -0.529 37.215 38.000 -0.426 0.000 1.133 185 I HN 0.498 nan 8.210 nan 0.000 0.438 186 T N -3.777 110.419 114.554 -0.598 0.000 2.924 186 T HA 0.413 4.763 4.350 0.001 0.000 0.291 186 T C -0.576 173.793 174.700 -0.552 0.000 1.045 186 T CA -0.500 61.357 62.100 -0.404 0.000 1.015 186 T CB 2.094 70.695 68.868 -0.446 0.000 1.103 186 T HN 0.181 nan 8.240 nan 0.000 0.496 187 W N -0.122 121.062 121.300 -0.192 0.000 2.324 187 W HA 0.226 4.887 4.660 0.001 0.000 0.316 187 W C 1.969 178.432 176.519 -0.094 0.000 0.927 187 W CA -0.019 57.250 57.345 -0.127 0.000 1.438 187 W CB 0.110 29.517 29.460 -0.088 0.000 1.085 187 W HN 0.911 nan 8.180 nan 0.000 0.532 188 T N -2.475 112.118 114.554 0.066 0.000 3.129 188 T HA 0.239 4.590 4.350 0.001 0.000 0.251 188 T C 1.305 175.998 174.700 -0.013 0.000 1.117 188 T CA 0.289 62.412 62.100 0.038 0.000 1.034 188 T CB -0.272 68.618 68.868 0.036 0.000 0.968 188 T HN 0.027 nan 8.240 nan 0.000 0.526 189 G N 1.504 110.263 108.800 -0.068 0.000 2.150 189 G HA2 0.257 4.218 3.960 0.001 0.000 0.250 189 G HA3 0.257 4.218 3.960 0.001 0.000 0.250 189 G C -0.512 174.323 174.900 -0.108 0.000 1.179 189 G CA -0.281 44.755 45.100 -0.108 0.000 0.934 189 G HN 0.570 nan 8.290 nan 0.000 0.453 190 K N 2.418 122.739 120.400 -0.131 0.000 2.652 190 K HA 0.177 4.497 4.320 0.001 0.000 0.249 190 K C 0.074 176.559 176.600 -0.191 0.000 0.986 190 K CA -0.686 55.526 56.287 -0.126 0.000 0.867 190 K CB 1.285 33.748 32.500 -0.061 0.000 1.201 190 K HN 0.661 nan 8.250 nan 0.000 0.450 191 E N 3.732 123.819 120.200 -0.189 0.000 2.900 191 E HA -0.198 4.153 4.350 0.001 0.000 0.259 191 E C -0.587 175.924 176.600 -0.149 0.000 0.918 191 E CA 1.081 57.365 56.400 -0.194 0.000 0.960 191 E CB 0.220 29.842 29.700 -0.129 0.000 0.908 191 E HN 0.672 nan 8.360 nan 0.000 0.511 192 D N 2.585 122.877 120.400 -0.180 0.000 3.077 192 D HA -0.232 4.408 4.640 0.001 0.000 0.217 192 D C 0.498 176.851 176.300 0.088 0.000 1.162 192 D CA 1.330 55.349 54.000 0.032 0.000 0.943 192 D CB -0.488 40.368 40.800 0.093 0.000 1.122 192 D HN 0.436 nan 8.370 nan 0.000 0.413 193 I N -1.086 119.459 120.570 -0.041 0.000 3.669 193 I HA 0.099 4.270 4.170 0.001 0.000 0.255 193 I C 0.726 176.934 176.117 0.153 0.000 1.144 193 I CA 0.408 61.764 61.300 0.094 0.000 1.447 193 I CB 0.179 38.207 38.000 0.046 0.000 1.622 193 I HN -0.136 nan 8.210 nan 0.000 0.435 194 I N 1.873 122.448 120.570 0.008 0.000 2.389 194 I HA 0.269 4.440 4.170 0.001 0.000 0.288 194 I C -1.268 174.853 176.117 0.007 0.000 0.999 194 I CA -0.531 60.832 61.300 0.105 0.000 1.129 194 I CB 0.872 38.908 38.000 0.060 0.000 1.288 194 I HN 0.038 nan 8.210 nan 0.000 0.444 195 Y N 4.689 125.082 120.300 0.155 0.000 2.356 195 Y HA 0.390 4.941 4.550 0.001 0.000 0.334 195 Y C 0.396 176.353 175.900 0.095 0.000 0.958 195 Y CA -0.816 57.376 58.100 0.152 0.000 1.196 195 Y CB 0.912 39.549 38.460 0.295 0.000 1.137 195 Y HN 0.417 nan 8.280 nan 0.000 0.485 196 N N 2.121 120.874 118.700 0.087 0.000 2.424 196 N HA 0.353 5.093 4.740 0.001 0.000 0.271 196 N C 0.915 176.349 175.510 -0.127 0.000 0.985 196 N CA 0.468 53.493 53.050 -0.041 0.000 0.921 196 N CB 1.896 40.247 38.487 -0.226 0.000 1.149 196 N HN 0.961 nan 8.380 nan 0.000 0.492 197 G N 1.498 110.239 108.800 -0.098 0.000 2.205 197 G HA2 -0.261 3.700 3.960 0.001 0.000 0.261 197 G HA3 -0.261 3.700 3.960 0.001 0.000 0.261 197 G C 0.134 174.887 174.900 -0.246 0.000 0.980 197 G CA 0.772 45.748 45.100 -0.207 0.000 0.632 197 G HN 0.676 nan 8.290 nan 0.000 0.533 198 I N -1.652 118.854 120.570 -0.107 0.000 2.865 198 I HA 0.808 4.979 4.170 0.001 0.000 0.302 198 I C 0.274 176.490 176.117 0.165 0.000 1.140 198 I CA -0.612 60.569 61.300 -0.198 0.000 1.021 198 I CB 2.060 39.757 38.000 -0.505 0.000 1.233 198 I HN 0.183 nan 8.210 nan 0.000 0.427 199 T N -0.279 114.328 114.554 0.089 0.000 2.899 199 T HA 0.377 4.728 4.350 0.001 0.000 0.284 199 T C -0.113 174.449 174.700 -0.231 0.000 1.004 199 T CA -0.617 61.395 62.100 -0.147 0.000 1.043 199 T CB 1.345 70.175 68.868 -0.063 0.000 1.013 199 T HN 0.771 nan 8.240 nan 0.000 0.518 200 D N 0.196 120.163 120.400 -0.722 0.000 2.425 200 D HA 0.036 4.677 4.640 0.001 0.000 0.274 200 D C 1.012 177.254 176.300 -0.096 0.000 1.242 200 D CA -1.036 52.525 54.000 -0.732 0.000 1.060 200 D CB -0.057 40.231 40.800 -0.853 0.000 1.112 200 D HN 0.703 nan 8.370 nan 0.000 0.561 201 W N -0.245 121.020 121.300 -0.058 0.000 2.333 201 W HA -0.188 4.473 4.660 0.001 0.000 0.316 201 W C 2.192 178.613 176.519 -0.162 0.000 1.215 201 W CA 2.128 59.431 57.345 -0.071 0.000 1.278 201 W CB -0.424 28.934 29.460 -0.169 0.000 1.154 201 W HN 0.159 nan 8.180 nan 0.000 0.486 202 V N -0.176 119.831 119.914 0.155 0.000 2.453 202 V HA -0.285 3.836 4.120 0.001 0.000 0.247 202 V C 1.886 177.812 176.094 -0.279 0.000 1.048 202 V CA 1.960 64.226 62.300 -0.056 0.000 1.049 202 V CB -0.754 31.029 31.823 -0.067 0.000 0.672 202 V HN 0.287 nan 8.190 nan 0.000 0.457 203 Y N 0.664 120.784 120.300 -0.301 0.000 2.242 203 Y HA -0.199 4.352 4.550 0.001 0.000 0.291 203 Y C 2.591 178.385 175.900 -0.177 0.000 1.137 203 Y CA 2.174 60.095 58.100 -0.299 0.000 1.181 203 Y CB -0.043 38.080 38.460 -0.562 0.000 0.989 203 Y HN 0.399 nan 8.280 nan 0.000 0.527 204 E N 0.259 120.423 120.200 -0.060 0.000 2.051 204 E HA -0.286 4.065 4.350 0.001 0.000 0.192 204 E C 2.002 178.559 176.600 -0.073 0.000 0.991 204 E CA 1.576 57.968 56.400 -0.013 0.000 0.799 204 E CB -0.009 29.671 29.700 -0.033 0.000 0.748 204 E HN 0.382 nan 8.360 nan 0.000 0.449 205 E N 0.281 120.253 120.200 -0.380 0.000 2.076 205 E HA -0.125 4.225 4.350 0.001 0.000 0.190 205 E C 1.505 177.977 176.600 -0.213 0.000 0.979 205 E CA 1.351 57.507 56.400 -0.406 0.000 0.807 205 E CB 0.191 29.287 29.700 -1.007 0.000 0.761 205 E HN 0.229 nan 8.360 nan 0.000 0.454 206 E N -0.751 119.302 120.200 -0.245 0.000 2.489 206 E HA 0.116 4.467 4.350 0.001 0.000 0.204 206 E C 1.350 177.803 176.600 -0.244 0.000 1.006 206 E CA 0.226 56.524 56.400 -0.171 0.000 0.936 206 E CB 1.258 30.857 29.700 -0.169 0.000 1.002 206 E HN 0.185 nan 8.360 nan 0.000 0.488 207 V N -0.745 118.983 119.914 -0.310 0.000 3.001 207 V HA 0.072 4.192 4.120 0.001 0.000 0.228 207 V C 1.260 177.106 176.094 -0.414 0.000 1.204 207 V CA 0.466 62.490 62.300 -0.461 0.000 1.247 207 V CB -0.219 31.176 31.823 -0.712 0.000 1.093 207 V HN 0.009 nan 8.190 nan 0.000 0.504 208 F N 0.809 120.786 119.950 0.045 0.000 2.746 208 F HA 0.305 4.833 4.527 0.001 0.000 0.297 208 F C 1.513 177.291 175.800 -0.038 0.000 1.113 208 F CA 0.242 58.280 58.000 0.064 0.000 1.367 208 F CB -0.295 38.792 39.000 0.145 0.000 1.111 208 F HN 0.074 nan 8.300 nan 0.000 0.590 209 S N 0.582 116.316 115.700 0.056 0.000 3.549 209 S HA 0.025 4.496 4.470 0.001 0.000 0.366 209 S C 0.059 174.303 174.600 -0.593 0.000 1.012 209 S CA 0.417 58.536 58.200 -0.134 0.000 1.141 209 S CB -1.718 61.433 63.200 -0.082 0.000 0.910 209 S HN 0.689 nan 8.310 nan 0.000 0.471 210 A N -0.472 122.217 122.820 -0.219 0.000 2.597 210 A HA 0.660 4.980 4.320 0.001 0.000 0.292 210 A C -0.304 177.271 177.584 -0.016 0.000 1.057 210 A CA -0.489 51.419 52.037 -0.214 0.000 0.674 210 A CB 0.223 19.095 19.000 -0.213 0.000 1.278 210 A HN 0.340 nan 8.150 nan 0.000 0.416 211 Y N 1.430 121.579 120.300 -0.253 0.000 2.365 211 Y HA 0.186 4.737 4.550 0.001 0.000 0.293 211 Y C 1.607 177.236 175.900 -0.453 0.000 1.119 211 Y CA 1.015 58.976 58.100 -0.232 0.000 1.203 211 Y CB -0.054 38.299 38.460 -0.177 0.000 1.026 211 Y HN 0.735 nan 8.280 nan 0.000 0.549 212 S N 0.759 115.977 115.700 -0.803 0.000 2.537 212 S HA 0.392 4.863 4.470 0.001 0.000 0.286 212 S C 0.350 174.425 174.600 -0.874 0.000 1.299 212 S CA 0.246 57.712 58.200 -1.224 0.000 1.067 212 S CB 0.364 62.546 63.200 -1.697 0.000 0.864 212 S HN 0.434 nan 8.310 nan 0.000 0.494 213 A N 5.721 128.011 122.820 -0.883 0.000 2.806 213 A HA 0.501 4.822 4.320 0.001 0.000 0.266 213 A C -0.483 176.375 177.584 -1.211 0.000 0.926 213 A CA -0.505 50.929 52.037 -1.005 0.000 1.068 213 A CB 0.036 18.894 19.000 -0.237 0.000 1.189 213 A HN 0.727 nan 8.150 nan 0.000 0.481 214 L N 0.246 120.657 121.223 -1.353 0.000 2.365 214 L HA 0.620 4.961 4.340 0.001 0.000 0.273 214 L C -1.140 175.214 176.870 -0.860 0.000 1.000 214 L CA -0.599 53.766 54.840 -0.792 0.000 0.819 214 L CB 1.955 43.766 42.059 -0.413 0.000 1.284 214 L HN 0.430 nan 8.230 nan 0.000 0.418 215 W N 2.255 123.590 121.300 0.058 0.000 2.728 215 W HA 0.219 4.880 4.660 0.001 0.000 0.324 215 W C -1.087 175.659 176.519 0.379 0.000 1.012 215 W CA -1.083 56.418 57.345 0.259 0.000 1.279 215 W CB 1.252 30.911 29.460 0.332 0.000 1.289 215 W HN 0.505 nan 8.180 nan 0.000 0.418 216 W N 2.755 124.256 121.300 0.336 0.000 2.210 216 W HA 0.187 4.848 4.660 0.001 0.000 0.330 216 W C 1.368 177.698 176.519 -0.316 0.000 1.334 216 W CA 0.359 57.757 57.345 0.088 0.000 1.227 216 W CB 0.858 30.351 29.460 0.055 0.000 1.178 216 W HN 0.183 nan 8.180 nan 0.000 0.560 217 S N 3.090 118.515 115.700 -0.457 0.000 2.593 217 S HA 0.167 4.638 4.470 0.001 0.000 0.269 217 S C -1.730 172.560 174.600 -0.516 0.000 1.334 217 S CA -1.048 56.255 58.200 -1.494 0.000 1.015 217 S CB 1.037 63.425 63.200 -1.354 0.000 0.912 217 S HN 0.297 nan 8.310 nan 0.000 0.541 218 P HA -0.203 nan 4.420 nan 0.000 0.217 218 P C 0.868 178.111 177.300 -0.095 0.000 1.162 218 P CA 1.885 64.926 63.100 -0.099 0.000 0.901 218 P CB -0.241 31.458 31.700 -0.002 0.000 0.793 219 N N -2.087 116.542 118.700 -0.118 0.000 2.270 219 N HA 0.138 4.879 4.740 0.001 0.000 0.198 219 N C 1.056 176.454 175.510 -0.185 0.000 1.117 219 N CA 0.542 53.519 53.050 -0.122 0.000 0.845 219 N CB -0.790 37.645 38.487 -0.088 0.000 0.980 219 N HN 0.220 nan 8.380 nan 0.000 0.486 220 G N -1.145 107.536 108.800 -0.198 0.000 2.159 220 G HA2 -0.337 3.623 3.960 0.001 0.000 0.256 220 G HA3 -0.337 3.623 3.960 0.001 0.000 0.256 220 G C 0.938 175.801 174.900 -0.063 0.000 0.977 220 G CA 0.757 45.718 45.100 -0.231 0.000 0.652 220 G HN 0.377 nan 8.290 nan 0.000 0.531 221 T N -0.040 114.416 114.554 -0.163 0.000 2.701 221 T HA 0.212 4.563 4.350 0.001 0.000 0.263 221 T C 0.845 175.369 174.700 -0.294 0.000 1.040 221 T CA 1.296 63.201 62.100 -0.324 0.000 1.147 221 T CB -0.092 68.409 68.868 -0.613 0.000 0.865 221 T HN 0.279 nan 8.240 nan 0.000 0.426 222 F N 0.489 120.466 119.950 0.045 0.000 2.425 222 F HA 0.616 5.144 4.527 0.001 0.000 0.331 222 F C -0.184 175.700 175.800 0.141 0.000 1.085 222 F CA -1.738 56.327 58.000 0.110 0.000 1.028 222 F CB 1.025 40.142 39.000 0.197 0.000 1.177 222 F HN -0.093 nan 8.300 nan 0.000 0.487 223 L N 2.879 124.274 121.223 0.285 0.000 2.342 223 L HA 0.807 5.148 4.340 0.001 0.000 0.276 223 L C -0.682 176.281 176.870 0.156 0.000 0.997 223 L CA -0.592 54.243 54.840 -0.009 0.000 0.838 223 L CB 0.684 42.480 42.059 -0.438 0.000 1.224 223 L HN 0.653 nan 8.230 nan 0.000 0.416 224 A N 4.829 127.819 122.820 0.283 0.000 2.303 224 A HA 0.791 5.112 4.320 0.001 0.000 0.317 224 A C -1.377 176.307 177.584 0.166 0.000 1.149 224 A CA -0.257 51.830 52.037 0.084 0.000 0.822 224 A CB 0.589 19.703 19.000 0.189 0.000 1.131 224 A HN 0.912 nan 8.150 nan 0.000 0.493 225 Y N -1.598 118.568 120.300 -0.224 0.000 2.609 225 Y HA 0.761 5.311 4.550 0.001 0.000 0.336 225 Y C -0.330 175.527 175.900 -0.070 0.000 1.129 225 Y CA -0.899 57.155 58.100 -0.077 0.000 1.040 225 Y CB 0.881 39.224 38.460 -0.194 0.000 1.310 225 Y HN 0.916 nan 8.280 nan 0.000 0.460 226 A N 2.115 125.079 122.820 0.239 0.000 2.311 226 A HA 0.699 5.020 4.320 0.001 0.000 0.334 226 A C -1.191 176.331 177.584 -0.103 0.000 1.139 226 A CA -0.864 51.180 52.037 0.011 0.000 0.830 226 A CB 1.771 20.702 19.000 -0.115 0.000 1.234 226 A HN 0.817 nan 8.150 nan 0.000 0.483 227 Q N 0.739 120.397 119.800 -0.237 0.000 2.321 227 Q HA 0.604 4.945 4.340 0.001 0.000 0.270 227 Q C -2.098 173.694 176.000 -0.346 0.000 1.032 227 Q CA -0.368 55.375 55.803 -0.099 0.000 0.784 227 Q CB 1.159 30.060 28.738 0.272 0.000 1.264 227 Q HN 0.594 nan 8.270 nan 0.000 0.448 228 F N 2.211 122.268 119.950 0.179 0.000 2.469 228 F HA 0.426 4.954 4.527 0.001 0.000 0.332 228 F C 0.365 176.317 175.800 0.253 0.000 1.103 228 F CA -0.912 57.166 58.000 0.130 0.000 0.979 228 F CB 1.496 40.473 39.000 -0.038 0.000 1.137 228 F HN 0.419 nan 8.300 nan 0.000 0.463 229 N N 1.940 120.869 118.700 0.381 0.000 2.479 229 N HA 0.224 4.965 4.740 0.001 0.000 0.261 229 N C -0.896 174.791 175.510 0.294 0.000 0.979 229 N CA -0.304 52.931 53.050 0.309 0.000 0.930 229 N CB 1.087 39.702 38.487 0.214 0.000 1.172 229 N HN 0.547 nan 8.380 nan 0.000 0.499 230 D N 1.434 122.029 120.400 0.325 0.000 2.402 230 D HA 0.120 4.761 4.640 0.001 0.000 0.216 230 D C 1.261 177.682 176.300 0.202 0.000 1.128 230 D CA 0.126 54.290 54.000 0.273 0.000 0.833 230 D CB 0.516 41.526 40.800 0.351 0.000 0.971 230 D HN 0.465 nan 8.370 nan 0.000 0.503 231 T N 0.616 115.273 114.554 0.172 0.000 2.653 231 T HA -0.251 4.100 4.350 0.001 0.000 0.267 231 T C 1.270 176.031 174.700 0.102 0.000 1.037 231 T CA 1.497 63.671 62.100 0.123 0.000 1.159 231 T CB -0.093 68.837 68.868 0.103 0.000 0.859 231 T HN 0.331 nan 8.240 nan 0.000 0.449 232 E N 0.141 120.401 120.200 0.100 0.000 2.465 232 E HA 0.205 4.555 4.350 0.001 0.000 0.195 232 E C -0.499 176.151 176.600 0.084 0.000 1.028 232 E CA -0.266 56.181 56.400 0.080 0.000 0.899 232 E CB 0.627 30.367 29.700 0.066 0.000 1.032 232 E HN 0.192 nan 8.360 nan 0.000 0.468 233 V N 3.523 123.501 119.914 0.106 0.000 2.508 233 V HA 0.106 4.226 4.120 0.001 0.000 0.281 233 V C -1.967 174.183 176.094 0.094 0.000 1.041 233 V CA -1.567 60.797 62.300 0.107 0.000 1.016 233 V CB 0.457 32.361 31.823 0.136 0.000 0.984 233 V HN 0.059 nan 8.190 nan 0.000 0.478 234 P HA 0.218 nan 4.420 nan 0.000 0.271 234 P C -0.764 176.572 177.300 0.061 0.000 1.233 234 P CA -0.191 62.946 63.100 0.060 0.000 0.789 234 P CB 0.491 32.224 31.700 0.055 0.000 0.951 235 L N 1.640 122.877 121.223 0.024 0.000 2.317 235 L HA 0.464 4.805 4.340 0.001 0.000 0.281 235 L C 0.215 177.038 176.870 -0.078 0.000 1.024 235 L CA -1.047 53.790 54.840 -0.005 0.000 0.810 235 L CB 1.198 43.250 42.059 -0.012 0.000 1.240 235 L HN 0.278 nan 8.230 nan 0.000 0.427 236 I N 2.511 122.986 120.570 -0.159 0.000 2.395 236 I HA 0.243 4.414 4.170 0.001 0.000 0.289 236 I C -0.281 175.685 176.117 -0.251 0.000 1.023 236 I CA 0.193 61.297 61.300 -0.326 0.000 1.350 236 I CB 0.782 38.323 38.000 -0.765 0.000 1.409 236 I HN 0.571 nan 8.210 nan 0.000 0.507 237 E N 7.441 127.514 120.200 -0.211 0.000 2.222 237 E HA 0.550 4.901 4.350 0.001 0.000 0.267 237 E C -1.766 174.764 176.600 -0.117 0.000 0.884 237 E CA -0.610 55.664 56.400 -0.209 0.000 0.764 237 E CB 2.177 31.786 29.700 -0.151 0.000 1.169 237 E HN 0.578 nan 8.360 nan 0.000 0.413 238 Y N -1.969 118.238 120.300 -0.155 0.000 2.624 238 Y HA 0.503 5.054 4.550 0.001 0.000 0.334 238 Y C -0.802 175.023 175.900 -0.125 0.000 1.155 238 Y CA -1.240 56.774 58.100 -0.143 0.000 1.046 238 Y CB 0.760 39.136 38.460 -0.140 0.000 1.316 238 Y HN 0.231 nan 8.280 nan 0.000 0.457 239 S N 1.820 117.513 115.700 -0.012 0.000 2.584 239 S HA 0.518 4.989 4.470 0.001 0.000 0.273 239 S C -1.385 173.072 174.600 -0.238 0.000 1.311 239 S CA -0.361 57.694 58.200 -0.243 0.000 1.034 239 S CB 0.606 63.516 63.200 -0.485 0.000 0.939 239 S HN 0.539 nan 8.310 nan 0.000 0.513 240 F N 1.578 121.252 119.950 -0.459 0.000 2.518 240 F HA 0.442 4.970 4.527 0.001 0.000 0.323 240 F C -0.362 175.177 175.800 -0.435 0.000 1.129 240 F CA -0.848 56.971 58.000 -0.302 0.000 0.920 240 F CB 0.964 39.917 39.000 -0.078 0.000 1.160 240 F HN 0.652 nan 8.300 nan 0.000 0.440 241 Y N 2.639 122.733 120.300 -0.343 0.000 2.476 241 Y HA 0.164 4.715 4.550 0.001 0.000 0.283 241 Y C 1.655 177.515 175.900 -0.066 0.000 1.109 241 Y CA 1.010 59.014 58.100 -0.160 0.000 1.246 241 Y CB -0.370 37.976 38.460 -0.190 0.000 1.068 241 Y HN 0.745 nan 8.280 nan 0.000 0.552 242 S N -0.258 115.417 115.700 -0.042 0.000 3.443 242 S HA -0.214 4.257 4.470 0.001 0.000 0.635 242 S C -0.575 174.099 174.600 0.123 0.000 2.555 242 S CA 0.295 58.621 58.200 0.210 0.000 2.778 242 S CB -1.195 62.196 63.200 0.318 0.000 0.331 242 S HN 0.452 nan 8.310 nan 0.000 1.765 243 D N 1.478 121.959 120.400 0.134 0.000 2.361 243 D HA 0.168 4.809 4.640 0.001 0.000 0.239 243 D C 1.400 177.742 176.300 0.069 0.000 1.200 243 D CA 0.304 54.356 54.000 0.088 0.000 0.915 243 D CB 0.184 41.032 40.800 0.081 0.000 1.170 243 D HN 0.638 nan 8.370 nan 0.000 0.444 244 E N 0.419 120.646 120.200 0.044 0.000 2.171 244 E HA -0.246 4.105 4.350 0.001 0.000 0.197 244 E C 1.649 178.266 176.600 0.029 0.000 0.997 244 E CA 1.513 57.928 56.400 0.026 0.000 0.810 244 E CB 0.120 29.828 29.700 0.014 0.000 0.738 244 E HN 0.450 nan 8.360 nan 0.000 0.467 245 S N 0.232 115.955 115.700 0.038 0.000 2.442 245 S HA -0.158 4.313 4.470 0.001 0.000 0.236 245 S C 0.962 175.590 174.600 0.047 0.000 1.007 245 S CA 0.126 58.348 58.200 0.037 0.000 0.965 245 S CB -0.246 62.978 63.200 0.040 0.000 0.773 245 S HN 0.247 nan 8.310 nan 0.000 0.504 246 L N 2.577 123.839 121.223 0.066 0.000 2.433 246 L HA 0.271 4.612 4.340 0.001 0.000 0.275 246 L C 1.418 178.327 176.870 0.065 0.000 1.128 246 L CA 0.168 55.058 54.840 0.084 0.000 0.875 246 L CB 0.442 42.569 42.059 0.113 0.000 1.171 246 L HN 0.317 nan 8.230 nan 0.000 0.463 247 Q N 3.991 123.830 119.800 0.065 0.000 2.046 247 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 247 Q C -0.464 175.457 176.000 -0.132 0.000 0.975 247 Q CA 1.390 57.178 55.803 -0.025 0.000 0.836 247 Q CB 0.092 28.836 28.738 0.010 0.000 0.896 247 Q HN 0.685 nan 8.270 nan 0.000 0.428 248 Y N 0.724 121.042 120.300 0.030 0.000 2.331 248 Y HA 0.373 4.924 4.550 0.001 0.000 0.338 248 Y C -2.025 173.892 175.900 0.029 0.000 0.992 248 Y CA -2.896 55.219 58.100 0.025 0.000 1.121 248 Y CB 1.326 39.791 38.460 0.009 0.000 1.184 248 Y HN 0.172 nan 8.280 nan 0.000 0.469 249 P HA 0.017 nan 4.420 nan 0.000 0.269 249 P C -0.745 176.573 177.300 0.029 0.000 1.215 249 P CA -0.430 62.701 63.100 0.053 0.000 0.780 249 P CB 0.694 32.382 31.700 -0.020 0.000 0.898 250 K N 1.123 121.522 120.400 -0.002 0.000 2.110 250 K HA 0.376 4.697 4.320 0.001 0.000 0.263 250 K C -0.774 175.782 176.600 -0.072 0.000 0.975 250 K CA -0.368 55.917 56.287 -0.003 0.000 0.895 250 K CB 0.637 33.163 32.500 0.044 0.000 1.060 250 K HN 0.321 nan 8.250 nan 0.000 0.448 251 T N 2.753 117.249 114.554 -0.097 0.000 2.758 251 T HA 0.247 4.598 4.350 0.001 0.000 0.285 251 T C -0.601 173.968 174.700 -0.219 0.000 0.981 251 T CA -0.633 61.371 62.100 -0.160 0.000 0.965 251 T CB 1.133 69.923 68.868 -0.130 0.000 0.927 251 T HN 0.296 nan 8.240 nan 0.000 0.448 252 V N 5.275 124.954 119.914 -0.391 0.000 2.509 252 V HA 0.455 4.576 4.120 0.001 0.000 0.284 252 V C 0.396 176.223 176.094 -0.445 0.000 1.047 252 V CA -0.610 61.417 62.300 -0.456 0.000 0.952 252 V CB 0.976 32.349 31.823 -0.750 0.000 0.988 252 V HN 0.717 nan 8.190 nan 0.000 0.469 253 R N 3.421 123.789 120.500 -0.220 0.000 2.476 253 R HA 0.717 5.058 4.340 0.001 0.000 0.305 253 R C -1.715 174.571 176.300 -0.024 0.000 0.965 253 R CA -0.573 55.442 56.100 -0.141 0.000 0.867 253 R CB 2.195 32.443 30.300 -0.087 0.000 1.176 253 R HN 0.511 nan 8.270 nan 0.000 0.447 254 V N 4.159 124.058 119.914 -0.026 0.000 2.525 254 V HA 0.313 4.434 4.120 0.001 0.000 0.299 254 V C -2.379 173.762 176.094 0.079 0.000 1.034 254 V CA -2.440 59.910 62.300 0.083 0.000 0.863 254 V CB 2.183 34.012 31.823 0.011 0.000 0.999 254 V HN 0.602 nan 8.190 nan 0.000 0.423 255 P HA 0.126 nan 4.420 nan 0.000 0.265 255 P C -1.318 176.088 177.300 0.177 0.000 1.222 255 P CA 0.406 63.612 63.100 0.177 0.000 0.767 255 P CB -0.190 31.661 31.700 0.252 0.000 0.801 256 Y N 6.628 126.897 120.300 -0.052 0.000 2.301 256 Y HA 0.352 4.903 4.550 0.001 0.000 0.325 256 Y C -2.733 173.125 175.900 -0.070 0.000 1.103 256 Y CA -2.984 55.028 58.100 -0.147 0.000 1.182 256 Y CB 1.620 39.852 38.460 -0.380 0.000 1.139 256 Y HN 0.280 nan 8.280 nan 0.000 0.443 257 P HA 0.209 nan 4.420 nan 0.000 0.280 257 P C -0.821 176.514 177.300 0.059 0.000 1.300 257 P CA -0.054 63.082 63.100 0.060 0.000 0.785 257 P CB 1.262 32.982 31.700 0.033 0.000 0.874 258 K N 2.128 122.638 120.400 0.184 0.000 2.102 258 K HA 0.489 4.810 4.320 0.001 0.000 0.244 258 K C 0.603 177.288 176.600 0.142 0.000 1.021 258 K CA -0.719 55.694 56.287 0.209 0.000 0.913 258 K CB 0.503 33.149 32.500 0.244 0.000 1.062 258 K HN 0.451 nan 8.250 nan 0.000 0.485 259 A N 0.644 123.574 122.820 0.184 0.000 2.584 259 A HA 0.261 4.582 4.320 0.001 0.000 0.239 259 A C 1.221 178.838 177.584 0.055 0.000 1.043 259 A CA 1.046 53.182 52.037 0.166 0.000 0.756 259 A CB -1.187 17.997 19.000 0.305 0.000 0.963 259 A HN 0.903 nan 8.150 nan 0.000 0.511 260 G N 0.900 109.721 108.800 0.036 0.000 2.212 260 G HA2 0.079 4.040 3.960 0.001 0.000 0.266 260 G HA3 0.079 4.040 3.960 0.001 0.000 0.266 260 G C 0.737 175.646 174.900 0.014 0.000 0.978 260 G CA 0.914 46.010 45.100 -0.007 0.000 0.632 260 G HN 2.199 nan 8.290 nan 0.000 0.537 261 A N -0.415 122.430 122.820 0.041 0.000 2.267 261 A HA 0.742 5.063 4.320 0.001 0.000 0.271 261 A C 0.829 178.442 177.584 0.048 0.000 1.131 261 A CA 0.363 52.429 52.037 0.048 0.000 0.818 261 A CB 0.571 19.613 19.000 0.070 0.000 1.118 261 A HN 1.147 nan 8.150 nan 0.000 0.501 262 V N 2.139 122.084 119.914 0.051 0.000 2.572 262 V HA 0.090 4.211 4.120 0.001 0.000 0.291 262 V C 0.229 176.366 176.094 0.073 0.000 1.039 262 V CA -0.286 62.046 62.300 0.053 0.000 1.055 262 V CB 0.232 32.087 31.823 0.054 0.000 0.969 262 V HN 0.787 nan 8.190 nan 0.000 0.482 263 N N 5.639 124.382 118.700 0.072 0.000 2.482 263 N HA 0.505 5.246 4.740 0.001 0.000 0.279 263 N C -2.433 173.161 175.510 0.140 0.000 1.182 263 N CA -1.505 51.611 53.050 0.109 0.000 0.969 263 N CB 1.317 39.867 38.487 0.104 0.000 1.201 263 N HN 0.402 nan 8.380 nan 0.000 0.523 264 P HA 0.112 nan 4.420 nan 0.000 0.274 264 P C -0.465 176.996 177.300 0.268 0.000 1.231 264 P CA -0.165 63.090 63.100 0.258 0.000 0.790 264 P CB 0.440 32.332 31.700 0.320 0.000 0.951 265 T N -1.492 113.200 114.554 0.230 0.000 2.943 265 T HA 0.574 4.924 4.350 0.001 0.000 0.284 265 T C -0.261 174.578 174.700 0.231 0.000 1.015 265 T CA -0.824 61.373 62.100 0.163 0.000 1.042 265 T CB 1.483 70.413 68.868 0.102 0.000 1.055 265 T HN 0.324 nan 8.240 nan 0.000 0.500 266 V N 0.586 120.610 119.914 0.183 0.000 2.876 266 V HA 0.759 4.880 4.120 0.001 0.000 0.312 266 V C -1.461 174.724 176.094 0.152 0.000 1.085 266 V CA -0.861 61.521 62.300 0.137 0.000 0.945 266 V CB 2.062 34.009 31.823 0.208 0.000 1.017 266 V HN 1.053 nan 8.190 nan 0.000 0.428 267 K N 4.376 124.801 120.400 0.042 0.000 2.435 267 K HA 0.567 4.888 4.320 0.001 0.000 0.251 267 K C -1.925 174.605 176.600 -0.115 0.000 0.954 267 K CA -0.501 55.771 56.287 -0.026 0.000 0.820 267 K CB 2.765 35.205 32.500 -0.099 0.000 1.292 267 K HN 0.547 nan 8.250 nan 0.000 0.436 268 F N 2.212 121.892 119.950 -0.450 0.000 2.520 268 F HA 0.593 5.121 4.527 0.001 0.000 0.322 268 F C -1.442 173.866 175.800 -0.820 0.000 1.103 268 F CA -0.782 56.937 58.000 -0.468 0.000 0.926 268 F CB 0.846 39.690 39.000 -0.261 0.000 1.154 268 F HN 0.394 nan 8.300 nan 0.000 0.453 269 F N 3.695 122.872 119.950 -1.287 0.000 2.613 269 F HA 0.760 5.287 4.527 0.001 0.000 0.314 269 F C -1.021 174.052 175.800 -1.212 0.000 1.075 269 F CA -1.169 56.164 58.000 -1.112 0.000 0.945 269 F CB 2.178 40.440 39.000 -1.232 0.000 1.310 269 F HN 0.141 nan 8.300 nan 0.000 0.467 270 V N 2.469 122.106 119.914 -0.461 0.000 2.686 270 V HA 0.631 4.752 4.120 0.001 0.000 0.306 270 V C -1.244 174.884 176.094 0.057 0.000 1.065 270 V CA -0.808 61.301 62.300 -0.318 0.000 0.894 270 V CB 2.016 33.437 31.823 -0.670 0.000 1.004 270 V HN 0.617 nan 8.190 nan 0.000 0.424 271 V N 4.174 124.205 119.914 0.194 0.000 2.769 271 V HA 0.619 4.739 4.120 0.001 0.000 0.312 271 V C -0.534 175.786 176.094 0.377 0.000 1.061 271 V CA -0.609 61.853 62.300 0.269 0.000 0.931 271 V CB 2.222 34.157 31.823 0.187 0.000 1.010 271 V HN 0.919 nan 8.190 nan 0.000 0.433 272 N N 3.257 122.166 118.700 0.347 0.000 2.406 272 N HA 0.166 4.906 4.740 0.001 0.000 0.251 272 N C 0.927 176.464 175.510 0.044 0.000 1.069 272 N CA 0.570 53.750 53.050 0.216 0.000 0.947 272 N CB 1.705 40.293 38.487 0.168 0.000 1.111 272 N HN 0.932 nan 8.380 nan 0.000 0.497 273 T N -0.450 114.108 114.554 0.008 0.000 3.129 273 T HA 0.079 4.430 4.350 0.001 0.000 0.251 273 T C 0.603 175.254 174.700 -0.081 0.000 1.117 273 T CA 0.392 62.484 62.100 -0.013 0.000 1.034 273 T CB 0.192 69.144 68.868 0.139 0.000 0.968 273 T HN 0.246 nan 8.240 nan 0.000 0.526 274 D N 2.067 122.399 120.400 -0.113 0.000 2.333 274 D HA 0.056 4.697 4.640 0.001 0.000 0.208 274 D C 1.106 177.349 176.300 -0.095 0.000 0.984 274 D CA 0.643 54.575 54.000 -0.114 0.000 0.873 274 D CB 0.242 40.954 40.800 -0.147 0.000 0.935 274 D HN 0.626 nan 8.370 nan 0.000 0.521 275 S N 0.189 115.838 115.700 -0.085 0.000 2.383 275 S HA 0.365 4.835 4.470 0.001 0.000 0.227 275 S C 0.109 174.659 174.600 -0.084 0.000 1.261 275 S CA -0.639 57.528 58.200 -0.055 0.000 1.262 275 S CB -0.251 62.949 63.200 -0.001 0.000 0.992 275 S HN -0.031 nan 8.310 nan 0.000 0.491 276 L N 1.703 122.804 121.223 -0.203 0.000 2.307 276 L HA 0.639 4.980 4.340 0.001 0.000 0.282 276 L C 0.379 177.119 176.870 -0.216 0.000 1.051 276 L CA -0.371 54.267 54.840 -0.337 0.000 0.804 276 L CB 1.749 43.290 42.059 -0.864 0.000 1.197 276 L HN 0.400 nan 8.230 nan 0.000 0.431 277 S N 0.305 115.997 115.700 -0.013 0.000 2.532 277 S HA 0.331 4.802 4.470 0.001 0.000 0.301 277 S C 0.645 175.437 174.600 0.320 0.000 1.083 277 S CA -0.598 57.694 58.200 0.152 0.000 1.025 277 S CB 1.825 65.084 63.200 0.098 0.000 1.056 277 S HN 0.589 nan 8.310 nan 0.000 0.494 278 S N 2.380 118.261 115.700 0.302 0.000 2.562 278 S HA 0.050 4.521 4.470 0.001 0.000 0.221 278 S C 1.137 175.821 174.600 0.140 0.000 0.975 278 S CA 0.163 58.492 58.200 0.216 0.000 0.918 278 S CB 0.108 63.384 63.200 0.127 0.000 0.772 278 S HN 0.570 nan 8.310 nan 0.000 0.531 279 V N 0.354 120.343 119.914 0.124 0.000 3.523 279 V HA 0.186 4.307 4.120 0.001 0.000 0.255 279 V C 0.510 176.648 176.094 0.073 0.000 1.226 279 V CA 0.613 62.962 62.300 0.083 0.000 1.092 279 V CB 0.521 32.382 31.823 0.063 0.000 0.817 279 V HN 0.270 nan 8.190 nan 0.000 0.458 280 T N 0.875 115.482 114.554 0.089 0.000 2.876 280 T HA 0.390 4.740 4.350 0.001 0.000 0.289 280 T C -0.465 174.292 174.700 0.096 0.000 1.014 280 T CA -0.517 61.622 62.100 0.066 0.000 0.986 280 T CB 1.578 70.475 68.868 0.049 0.000 1.021 280 T HN 0.046 nan 8.240 nan 0.000 0.458 281 N N 2.169 120.908 118.700 0.065 0.000 2.468 281 N HA 0.335 5.076 4.740 0.001 0.000 0.265 281 N C 0.341 175.918 175.510 0.111 0.000 1.199 281 N CA -0.084 53.036 53.050 0.117 0.000 0.928 281 N CB 0.624 39.110 38.487 -0.002 0.000 1.059 281 N HN 0.869 nan 8.380 nan 0.000 0.467 282 A N 2.406 125.310 122.820 0.141 0.000 2.586 282 A HA 0.110 4.431 4.320 0.001 0.000 0.231 282 A C 0.355 177.991 177.584 0.086 0.000 1.055 282 A CA 0.378 52.467 52.037 0.087 0.000 0.756 282 A CB -0.011 19.023 19.000 0.056 0.000 0.988 282 A HN 0.558 nan 8.150 nan 0.000 0.509 283 T N 2.369 116.975 114.554 0.086 0.000 2.771 283 T HA 0.483 4.834 4.350 0.001 0.000 0.281 283 T C -0.072 174.706 174.700 0.129 0.000 0.982 283 T CA -0.110 62.049 62.100 0.099 0.000 0.978 283 T CB 0.961 69.892 68.868 0.105 0.000 0.930 283 T HN 0.562 nan 8.240 nan 0.000 0.447 284 S N 3.480 119.252 115.700 0.120 0.000 2.451 284 S HA 0.505 4.976 4.470 0.001 0.000 0.301 284 S C -0.028 174.710 174.600 0.229 0.000 1.116 284 S CA -0.801 57.491 58.200 0.153 0.000 1.093 284 S CB 0.475 63.705 63.200 0.049 0.000 1.017 284 S HN 0.487 nan 8.310 nan 0.000 0.482 285 I N 3.229 123.949 120.570 0.250 0.000 2.342 285 I HA 0.283 4.454 4.170 0.001 0.000 0.291 285 I C 0.533 176.757 176.117 0.177 0.000 1.010 285 I CA -0.277 61.179 61.300 0.261 0.000 1.308 285 I CB 1.045 39.275 38.000 0.384 0.000 1.400 285 I HN 0.656 nan 8.210 nan 0.000 0.488 286 Q N 6.156 126.035 119.800 0.131 0.000 2.259 286 Q HA 0.507 4.848 4.340 0.001 0.000 0.249 286 Q C -1.120 174.824 176.000 -0.094 0.000 0.914 286 Q CA -0.436 55.267 55.803 -0.166 0.000 0.904 286 Q CB 1.501 30.087 28.738 -0.252 0.000 1.213 286 Q HN 0.563 nan 8.270 nan 0.000 0.428 287 I N 4.182 124.678 120.570 -0.124 0.000 2.390 287 I HA 0.207 4.377 4.170 0.001 0.000 0.283 287 I C 0.066 176.197 176.117 0.022 0.000 1.016 287 I CA -0.698 60.616 61.300 0.023 0.000 1.151 287 I CB 1.545 39.622 38.000 0.128 0.000 1.293 287 I HN 0.699 nan 8.210 nan 0.000 0.458 288 T N 2.809 117.330 114.554 -0.055 0.000 2.882 288 T HA 0.636 4.987 4.350 0.001 0.000 0.287 288 T C 0.385 174.903 174.700 -0.305 0.000 1.014 288 T CA -0.765 61.242 62.100 -0.154 0.000 1.049 288 T CB 1.743 70.514 68.868 -0.160 0.000 1.001 288 T HN 0.570 nan 8.240 nan 0.000 0.525 289 A N 3.091 125.471 122.820 -0.733 0.000 2.332 289 A HA 0.598 4.918 4.320 0.001 0.000 0.258 289 A C -1.898 175.197 177.584 -0.815 0.000 1.087 289 A CA -1.684 49.478 52.037 -1.458 0.000 0.802 289 A CB -0.606 16.920 19.000 -2.456 0.000 1.042 289 A HN 0.809 nan 8.150 nan 0.000 0.489 290 P HA 0.128 nan 4.420 nan 0.000 0.269 290 P C 0.721 177.810 177.300 -0.351 0.000 1.215 290 P CA 0.593 63.468 63.100 -0.376 0.000 0.780 290 P CB 0.864 32.421 31.700 -0.239 0.000 0.898 291 A N 3.105 125.787 122.820 -0.230 0.000 1.948 291 A HA -0.224 4.097 4.320 0.001 0.000 0.220 291 A C 2.241 179.713 177.584 -0.188 0.000 1.177 291 A CA 2.519 54.440 52.037 -0.193 0.000 0.636 291 A CB -1.790 17.132 19.000 -0.130 0.000 0.815 291 A HN 0.689 nan 8.150 nan 0.000 0.449 292 S N -1.556 114.053 115.700 -0.152 0.000 2.469 292 S HA -0.086 4.384 4.470 0.001 0.000 0.238 292 S C 1.694 176.195 174.600 -0.165 0.000 0.998 292 S CA 1.554 59.677 58.200 -0.128 0.000 0.957 292 S CB -0.274 62.913 63.200 -0.021 0.000 0.764 292 S HN 0.412 nan 8.310 nan 0.000 0.514 293 M N 0.618 120.064 119.600 -0.258 0.000 2.552 293 M HA 0.376 4.856 4.480 0.001 0.000 0.264 293 M C 1.953 177.961 176.300 -0.487 0.000 1.159 293 M CA 0.607 55.688 55.300 -0.365 0.000 1.176 293 M CB -1.076 31.175 32.600 -0.582 0.000 1.327 293 M HN 0.315 nan 8.290 nan 0.000 0.481 294 L N 1.098 122.035 121.223 -0.477 0.000 2.353 294 L HA -0.141 4.200 4.340 0.001 0.000 0.220 294 L C 2.265 179.045 176.870 -0.149 0.000 1.133 294 L CA 0.624 55.266 54.840 -0.330 0.000 0.798 294 L CB -0.828 41.066 42.059 -0.274 0.000 0.922 294 L HN 0.313 nan 8.230 nan 0.000 0.445 295 I N -2.702 117.783 120.570 -0.141 0.000 2.567 295 I HA 0.065 4.236 4.170 0.001 0.000 0.257 295 I C 1.116 177.203 176.117 -0.050 0.000 1.184 295 I CA 0.800 62.046 61.300 -0.090 0.000 1.451 295 I CB -0.516 37.423 38.000 -0.101 0.000 1.089 295 I HN 0.107 nan 8.210 nan 0.000 0.441 296 G N 0.028 108.815 108.800 -0.021 0.000 2.706 296 G HA2 0.268 4.229 3.960 0.001 0.000 0.307 296 G HA3 0.268 4.229 3.960 0.001 0.000 0.307 296 G C -1.745 173.212 174.900 0.095 0.000 1.307 296 G CA -0.573 44.536 45.100 0.014 0.000 0.790 296 G HN 0.015 nan 8.290 nan 0.000 0.503 297 D N 1.207 121.616 120.400 0.014 0.000 2.423 297 D HA 0.404 5.045 4.640 0.001 0.000 0.238 297 D C 0.268 176.525 176.300 -0.071 0.000 1.142 297 D CA 0.742 54.700 54.000 -0.070 0.000 0.884 297 D CB 0.534 41.250 40.800 -0.139 0.000 1.199 297 D HN 0.558 nan 8.370 nan 0.000 0.438 298 H N -1.031 117.898 119.070 -0.236 0.000 2.948 298 H HA 0.426 4.983 4.556 0.001 0.000 0.315 298 H C -1.441 173.751 175.328 -0.227 0.000 1.360 298 H CA -0.788 55.125 56.048 -0.225 0.000 1.125 298 H CB 0.339 30.104 29.762 0.005 0.000 1.844 298 H HN 0.292 nan 8.280 nan 0.000 0.529 299 Y N -0.046 120.470 120.300 0.360 0.000 2.576 299 Y HA 0.428 4.979 4.550 0.001 0.000 0.346 299 Y C -0.443 175.728 175.900 0.451 0.000 1.018 299 Y CA -1.164 57.154 58.100 0.364 0.000 1.050 299 Y CB 1.959 40.481 38.460 0.103 0.000 1.280 299 Y HN 0.497 nan 8.280 nan 0.000 0.474 300 L N 2.827 124.392 121.223 0.570 0.000 2.264 300 L HA 0.447 4.788 4.340 0.001 0.000 0.289 300 L C 0.363 177.290 176.870 0.096 0.000 1.044 300 L CA -0.302 54.533 54.840 -0.008 0.000 0.807 300 L CB 0.551 42.531 42.059 -0.132 0.000 1.192 300 L HN 0.983 nan 8.230 nan 0.000 0.425 301 C N 1.259 120.475 119.300 -0.140 0.000 3.403 301 C HA 0.517 4.978 4.460 0.001 0.000 0.317 301 C C 0.197 175.043 174.990 -0.239 0.000 1.346 301 C CA -0.362 58.504 59.018 -0.253 0.000 1.743 301 C CB -0.569 27.078 27.740 -0.155 0.000 2.308 301 C HN 0.845 nan 8.230 nan 0.000 0.675 302 D N 0.127 120.406 120.400 -0.202 0.000 2.803 302 D HA 0.475 5.115 4.640 0.001 0.000 0.218 302 D C -1.868 174.156 176.300 -0.460 0.000 1.245 302 D CA 0.102 54.001 54.000 -0.168 0.000 0.821 302 D CB 2.812 43.509 40.800 -0.172 0.000 1.626 302 D HN 0.054 nan 8.370 nan 0.000 0.487 303 V N 2.281 121.854 119.914 -0.568 0.000 2.569 303 V HA 0.536 4.657 4.120 0.001 0.000 0.301 303 V C -0.541 175.179 176.094 -0.624 0.000 1.044 303 V CA -0.404 61.330 62.300 -0.942 0.000 0.874 303 V CB 1.993 32.709 31.823 -1.844 0.000 1.002 303 V HN 0.648 nan 8.190 nan 0.000 0.424 304 T N 3.655 117.925 114.554 -0.474 0.000 3.031 304 T HA 0.335 4.686 4.350 0.001 0.000 0.305 304 T C -0.884 173.691 174.700 -0.208 0.000 0.985 304 T CA -0.462 61.519 62.100 -0.199 0.000 1.008 304 T CB 0.760 69.583 68.868 -0.076 0.000 1.005 304 T HN 0.514 nan 8.240 nan 0.000 0.444 305 W N 2.224 123.476 121.300 -0.081 0.000 2.210 305 W HA 0.463 5.124 4.660 0.001 0.000 0.330 305 W C 1.176 177.585 176.519 -0.183 0.000 1.334 305 W CA -0.221 57.065 57.345 -0.097 0.000 1.227 305 W CB 0.551 30.034 29.460 0.037 0.000 1.178 305 W HN 0.839 nan 8.180 nan 0.000 0.560 306 A N 1.987 124.691 122.820 -0.193 0.000 1.920 306 A HA 0.196 4.517 4.320 0.001 0.000 0.209 306 A C 0.919 178.481 177.584 -0.038 0.000 1.229 306 A CA 1.554 53.262 52.037 -0.549 0.000 0.671 306 A CB -0.402 17.774 19.000 -1.374 0.000 0.886 306 A HN 0.539 nan 8.150 nan 0.000 0.461 307 T N -5.581 109.044 114.554 0.118 0.000 2.654 307 T HA 0.344 4.695 4.350 0.001 0.000 0.289 307 T C 0.156 175.033 174.700 0.294 0.000 1.062 307 T CA -0.364 61.850 62.100 0.190 0.000 1.041 307 T CB 0.642 69.605 68.868 0.159 0.000 1.417 307 T HN -0.034 nan 8.240 nan 0.000 0.510 308 Q N 0.331 120.266 119.800 0.225 0.000 2.291 308 Q HA 0.037 4.378 4.340 0.001 0.000 0.206 308 Q C 0.779 177.046 176.000 0.445 0.000 0.976 308 Q CA 1.419 57.356 55.803 0.223 0.000 0.875 308 Q CB -0.107 28.718 28.738 0.145 0.000 0.927 308 Q HN 0.824 nan 8.270 nan 0.000 0.450 309 E N -0.252 120.226 120.200 0.464 0.000 2.810 309 E HA 0.191 4.542 4.350 0.001 0.000 0.214 309 E C -0.233 176.694 176.600 0.545 0.000 0.980 309 E CA -0.169 56.556 56.400 0.542 0.000 1.159 309 E CB 1.057 30.967 29.700 0.349 0.000 1.047 309 E HN -0.040 nan 8.360 nan 0.000 0.484 310 R N 1.670 122.473 120.500 0.505 0.000 2.502 310 R HA 0.525 4.866 4.340 0.001 0.000 0.300 310 R C -1.689 174.634 176.300 0.039 0.000 0.984 310 R CA -0.438 55.816 56.100 0.257 0.000 0.882 310 R CB 1.264 31.606 30.300 0.070 0.000 1.180 310 R HN 0.065 nan 8.270 nan 0.000 0.444 311 I N 3.214 123.641 120.570 -0.237 0.000 2.569 311 I HA 0.436 4.607 4.170 0.001 0.000 0.296 311 I C -0.871 174.932 176.117 -0.525 0.000 1.028 311 I CA -0.486 60.391 61.300 -0.705 0.000 1.082 311 I CB 2.196 39.375 38.000 -1.367 0.000 1.264 311 I HN 0.856 nan 8.210 nan 0.000 0.429 312 S N 7.564 122.936 115.700 -0.546 0.000 2.532 312 S HA 0.838 5.309 4.470 0.001 0.000 0.301 312 S C -1.056 173.234 174.600 -0.516 0.000 1.083 312 S CA -0.673 57.290 58.200 -0.394 0.000 1.025 312 S CB 1.749 64.822 63.200 -0.212 0.000 1.056 312 S HN 0.559 nan 8.310 nan 0.000 0.494 313 L N 1.332 122.270 121.223 -0.475 0.000 2.445 313 L HA 0.567 4.908 4.340 0.001 0.000 0.262 313 L C -0.701 175.876 176.870 -0.488 0.000 0.974 313 L CA -0.766 53.678 54.840 -0.660 0.000 0.822 313 L CB 2.318 43.838 42.059 -0.898 0.000 1.339 313 L HN 0.678 nan 8.230 nan 0.000 0.409 314 Q N 1.095 120.571 119.800 -0.541 0.000 2.337 314 Q HA 0.482 4.823 4.340 0.001 0.000 0.266 314 Q C -1.820 173.932 176.000 -0.414 0.000 1.023 314 Q CA -0.583 55.027 55.803 -0.322 0.000 0.829 314 Q CB 2.622 31.235 28.738 -0.209 0.000 1.306 314 Q HN 0.414 nan 8.270 nan 0.000 0.449 315 W N 2.357 123.625 121.300 -0.052 0.000 2.627 315 W HA 0.605 5.266 4.660 0.001 0.000 0.339 315 W C -0.908 175.658 176.519 0.079 0.000 1.058 315 W CA -0.665 56.699 57.345 0.031 0.000 1.223 315 W CB 1.089 30.552 29.460 0.005 0.000 1.389 315 W HN 0.375 nan 8.180 nan 0.000 0.541 316 L N 3.116 124.575 121.223 0.392 0.000 2.385 316 L HA 0.568 4.909 4.340 0.001 0.000 0.273 316 L C 0.002 177.068 176.870 0.326 0.000 0.990 316 L CA -1.143 53.889 54.840 0.319 0.000 0.821 316 L CB 1.177 43.406 42.059 0.284 0.000 1.279 316 L HN 0.413 nan 8.230 nan 0.000 0.412 317 R N 2.413 123.068 120.500 0.259 0.000 2.738 317 R HA 0.201 4.541 4.340 0.001 0.000 0.268 317 R C 1.061 177.414 176.300 0.088 0.000 1.062 317 R CA -0.045 56.148 56.100 0.154 0.000 1.158 317 R CB 0.521 30.895 30.300 0.122 0.000 1.046 317 R HN 0.654 nan 8.270 nan 0.000 0.493 318 R N 1.109 121.575 120.500 -0.056 0.000 2.105 318 R HA -0.069 4.272 4.340 0.001 0.000 0.239 318 R C 0.387 176.734 176.300 0.078 0.000 1.135 318 R CA 1.122 57.171 56.100 -0.084 0.000 0.967 318 R CB 0.158 30.375 30.300 -0.139 0.000 0.861 318 R HN 0.372 nan 8.270 nan 0.000 0.442 319 I N 2.896 123.500 120.570 0.056 0.000 2.311 319 I HA -0.005 4.166 4.170 0.001 0.000 0.297 319 I C 0.284 176.461 176.117 0.101 0.000 1.131 319 I CA 0.455 61.792 61.300 0.062 0.000 1.289 319 I CB 0.743 38.766 38.000 0.038 0.000 1.446 319 I HN 0.277 nan 8.210 nan 0.000 0.524 320 Q N 4.286 124.148 119.800 0.103 0.000 2.362 320 Q HA -0.094 4.247 4.340 0.001 0.000 0.210 320 Q C 0.613 176.695 176.000 0.137 0.000 0.924 320 Q CA 0.189 56.066 55.803 0.125 0.000 0.982 320 Q CB -0.353 28.420 28.738 0.058 0.000 1.028 320 Q HN 0.627 nan 8.270 nan 0.000 0.482 321 N N -0.867 117.917 118.700 0.140 0.000 2.235 321 N HA -0.031 4.710 4.740 0.001 0.000 0.231 321 N C -1.170 174.450 175.510 0.183 0.000 1.177 321 N CA -0.264 52.861 53.050 0.124 0.000 0.874 321 N CB 0.320 38.856 38.487 0.082 0.000 1.097 321 N HN 0.171 nan 8.380 nan 0.000 0.518 322 Y N 1.151 121.482 120.300 0.052 0.000 2.330 322 Y HA 0.510 5.061 4.550 0.001 0.000 0.324 322 Y C -1.256 174.685 175.900 0.069 0.000 1.093 322 Y CA -0.936 57.193 58.100 0.049 0.000 1.103 322 Y CB 1.235 39.715 38.460 0.033 0.000 1.183 322 Y HN 0.169 nan 8.280 nan 0.000 0.433 323 S N 3.984 119.613 115.700 -0.118 0.000 2.599 323 S HA 0.937 5.408 4.470 0.001 0.000 0.287 323 S C -1.729 172.805 174.600 -0.111 0.000 1.105 323 S CA -0.821 57.381 58.200 0.003 0.000 0.899 323 S CB 2.120 65.337 63.200 0.029 0.000 1.100 323 S HN 0.431 nan 8.310 nan 0.000 0.482 324 V N 2.461 122.405 119.914 0.050 0.000 2.638 324 V HA 0.527 4.647 4.120 0.001 0.000 0.306 324 V C -0.540 175.612 176.094 0.097 0.000 1.052 324 V CA -0.642 61.690 62.300 0.053 0.000 0.885 324 V CB 1.823 33.715 31.823 0.114 0.000 0.999 324 V HN 1.027 nan 8.190 nan 0.000 0.424 325 M N 3.577 123.208 119.600 0.051 0.000 2.238 325 M HA 0.538 5.019 4.480 0.001 0.000 0.350 325 M C -1.376 174.957 176.300 0.054 0.000 1.138 325 M CA -0.296 55.014 55.300 0.016 0.000 1.040 325 M CB 1.260 33.834 32.600 -0.044 0.000 1.639 325 M HN 0.627 nan 8.290 nan 0.000 0.451 326 D N 4.758 125.178 120.400 0.032 0.000 2.185 326 D HA 0.562 5.203 4.640 0.001 0.000 0.247 326 D C -1.088 175.197 176.300 -0.025 0.000 1.027 326 D CA -0.058 53.961 54.000 0.031 0.000 0.861 326 D CB 1.825 42.670 40.800 0.074 0.000 1.202 326 D HN 0.580 nan 8.370 nan 0.000 0.453 327 I N 2.239 122.815 120.570 0.011 0.000 2.411 327 I HA 0.282 4.453 4.170 0.001 0.000 0.284 327 I C -0.725 175.399 176.117 0.012 0.000 1.012 327 I CA -0.569 60.729 61.300 -0.003 0.000 1.119 327 I CB 1.277 39.335 38.000 0.096 0.000 1.261 327 I HN 0.189 nan 8.210 nan 0.000 0.448 328 c N 3.805 122.401 118.600 -0.008 0.000 2.351 328 c HA 0.547 5.117 4.570 0.001 0.000 0.326 328 c C -0.328 173.907 174.090 0.242 0.000 1.272 328 c CA -0.776 55.617 56.329 0.107 0.000 1.650 328 c CB 0.837 43.415 42.510 0.114 0.000 2.257 328 c HN 0.568 nan 8.230 nan 0.000 0.505 329 D N 0.561 121.091 120.400 0.217 0.000 2.192 329 D HA 0.294 4.935 4.640 0.001 0.000 0.246 329 D C -0.591 175.685 176.300 -0.040 0.000 1.042 329 D CA -0.221 53.876 54.000 0.161 0.000 0.847 329 D CB 0.851 41.688 40.800 0.062 0.000 1.186 329 D HN 0.580 nan 8.370 nan 0.000 0.461 330 Y N 1.731 121.711 120.300 -0.533 0.000 2.465 330 Y HA 0.142 4.692 4.550 0.001 0.000 0.331 330 Y C -0.003 175.597 175.900 -0.499 0.000 1.102 330 Y CA -0.072 57.340 58.100 -1.148 0.000 1.358 330 Y CB 0.621 38.268 38.460 -1.356 0.000 1.213 330 Y HN 0.172 nan 8.280 nan 0.000 0.525 331 D N 5.799 125.586 120.400 -1.021 0.000 2.428 331 D HA 0.049 4.689 4.640 0.001 0.000 0.221 331 D C 0.741 176.478 176.300 -0.939 0.000 1.123 331 D CA 0.008 53.596 54.000 -0.688 0.000 0.869 331 D CB 0.811 41.352 40.800 -0.432 0.000 1.032 331 D HN 0.918 nan 8.370 nan 0.000 0.506 332 E N 1.679 121.505 120.200 -0.623 0.000 2.209 332 E HA -0.155 4.195 4.350 0.001 0.000 0.196 332 E C 1.272 177.735 176.600 -0.228 0.000 0.993 332 E CA 0.933 57.115 56.400 -0.363 0.000 0.819 332 E CB 0.465 30.132 29.700 -0.054 0.000 0.745 332 E HN 0.358 nan 8.360 nan 0.000 0.477 333 S N -0.108 115.467 115.700 -0.208 0.000 2.338 333 S HA -0.148 4.323 4.470 0.001 0.000 0.218 333 S C 2.117 176.644 174.600 -0.123 0.000 1.032 333 S CA 1.333 59.459 58.200 -0.124 0.000 0.999 333 S CB -0.206 62.934 63.200 -0.100 0.000 0.905 333 S HN 0.434 nan 8.310 nan 0.000 0.439 334 S N 0.431 116.030 115.700 -0.169 0.000 2.470 334 S HA 0.314 4.785 4.470 0.001 0.000 0.225 334 S C 1.576 176.097 174.600 -0.131 0.000 1.006 334 S CA 0.714 58.838 58.200 -0.126 0.000 0.934 334 S CB -0.294 62.834 63.200 -0.119 0.000 0.778 334 S HN 0.914 nan 8.310 nan 0.000 0.517 335 G N 1.726 110.361 108.800 -0.275 0.000 2.147 335 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 335 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 335 G C 0.082 174.913 174.900 -0.114 0.000 1.005 335 G CA 0.102 45.093 45.100 -0.182 0.000 0.713 335 G HN 0.525 nan 8.290 nan 0.000 0.515 336 R N -1.640 118.691 120.500 -0.283 0.000 2.797 336 R HA 0.710 5.051 4.340 0.001 0.000 0.251 336 R C -0.760 175.355 176.300 -0.308 0.000 1.107 336 R CA -0.945 55.085 56.100 -0.117 0.000 1.084 336 R CB 0.609 30.879 30.300 -0.050 0.000 1.205 336 R HN 0.177 nan 8.270 nan 0.000 0.515 337 W N 0.401 121.699 121.300 -0.004 0.000 2.471 337 W HA 0.403 5.064 4.660 0.001 0.000 0.318 337 W C -0.434 176.067 176.519 -0.029 0.000 1.034 337 W CA -0.395 56.946 57.345 -0.006 0.000 1.224 337 W CB 1.112 30.571 29.460 -0.002 0.000 1.335 337 W HN 0.401 nan 8.180 nan 0.000 0.452 338 N N 2.000 120.772 118.700 0.121 0.000 2.321 338 N HA 0.562 5.303 4.740 0.001 0.000 0.299 338 N C -1.503 174.053 175.510 0.077 0.000 1.048 338 N CA -0.619 52.470 53.050 0.065 0.000 0.836 338 N CB 1.301 39.787 38.487 -0.002 0.000 1.269 338 N HN 0.192 nan 8.380 nan 0.000 0.486 339 c N 2.800 121.431 118.600 0.052 0.000 2.317 339 c HA 0.368 4.938 4.570 0.001 0.000 0.306 339 c C 0.356 174.454 174.090 0.014 0.000 1.087 339 c CA -1.121 55.231 56.329 0.039 0.000 1.529 339 c CB -1.407 41.122 42.510 0.031 0.000 1.880 339 c HN 0.631 nan 8.230 nan 0.000 0.417 340 L N 2.420 123.652 121.223 0.015 0.000 2.578 340 L HA -0.012 4.329 4.340 0.001 0.000 0.279 340 L C 1.604 178.466 176.870 -0.013 0.000 1.227 340 L CA 0.175 55.015 54.840 0.000 0.000 0.900 340 L CB 0.419 42.481 42.059 0.006 0.000 1.144 340 L HN 0.580 nan 8.230 nan 0.000 0.496 341 V N 3.216 123.115 119.914 -0.025 0.000 2.469 341 V HA -0.322 3.799 4.120 0.001 0.000 0.251 341 V C 2.327 178.389 176.094 -0.053 0.000 1.064 341 V CA 2.034 64.311 62.300 -0.039 0.000 1.066 341 V CB -0.847 30.954 31.823 -0.038 0.000 0.667 341 V HN 1.034 nan 8.190 nan 0.000 0.461 342 A N -0.120 122.674 122.820 -0.042 0.000 2.125 342 A HA -0.144 4.177 4.320 0.001 0.000 0.219 342 A C 2.186 179.724 177.584 -0.077 0.000 1.156 342 A CA 1.226 53.232 52.037 -0.052 0.000 0.671 342 A CB -0.399 18.585 19.000 -0.027 0.000 0.794 342 A HN 0.566 nan 8.150 nan 0.000 0.459 343 R N -0.573 119.894 120.500 -0.056 0.000 2.466 343 R HA 0.175 4.515 4.340 0.001 0.000 0.279 343 R C 0.071 176.294 176.300 -0.128 0.000 0.976 343 R CA -0.166 55.911 56.100 -0.037 0.000 1.081 343 R CB 0.194 30.536 30.300 0.070 0.000 1.215 343 R HN 0.570 nan 8.270 nan 0.000 0.546 344 Q N 0.535 120.213 119.800 -0.204 0.000 2.299 344 Q HA 0.142 4.483 4.340 0.001 0.000 0.246 344 Q C -0.698 175.055 176.000 -0.412 0.000 0.935 344 Q CA 0.054 55.751 55.803 -0.176 0.000 0.887 344 Q CB 0.977 29.659 28.738 -0.093 0.000 1.223 344 Q HN 0.237 nan 8.270 nan 0.000 0.439 345 H N 2.853 121.943 119.070 0.033 0.000 2.823 345 H HA 0.366 4.923 4.556 0.001 0.000 0.332 345 H C -0.725 174.593 175.328 -0.016 0.000 0.980 345 H CA -0.388 55.686 56.048 0.044 0.000 1.286 345 H CB 0.866 30.671 29.762 0.073 0.000 1.541 345 H HN 0.529 nan 8.280 nan 0.000 0.521 346 I N 2.169 122.765 120.570 0.044 0.000 2.428 346 I HA 0.176 4.347 4.170 0.001 0.000 0.296 346 I C 0.341 176.407 176.117 -0.084 0.000 0.985 346 I CA -0.177 61.057 61.300 -0.110 0.000 1.260 346 I CB 1.513 39.408 38.000 -0.174 0.000 1.389 346 I HN 0.500 nan 8.210 nan 0.000 0.484 347 E N 8.002 128.090 120.200 -0.186 0.000 2.260 347 E HA 0.575 4.926 4.350 0.001 0.000 0.266 347 E C -1.274 175.222 176.600 -0.172 0.000 0.887 347 E CA -0.688 55.652 56.400 -0.099 0.000 0.777 347 E CB 1.462 31.143 29.700 -0.031 0.000 1.205 347 E HN 0.629 nan 8.360 nan 0.000 0.414 348 M N 1.301 120.838 119.600 -0.104 0.000 2.704 348 M HA 0.690 5.170 4.480 0.001 0.000 0.284 348 M C -1.124 175.173 176.300 -0.004 0.000 1.275 348 M CA -0.965 54.301 55.300 -0.056 0.000 0.811 348 M CB 2.293 34.879 32.600 -0.023 0.000 1.741 348 M HN 0.252 nan 8.290 nan 0.000 0.458 349 S N -0.912 114.796 115.700 0.013 0.000 2.540 349 S HA 0.608 5.079 4.470 0.001 0.000 0.275 349 S C 0.111 174.708 174.600 -0.004 0.000 1.123 349 S CA 0.019 58.214 58.200 -0.008 0.000 0.907 349 S CB 1.953 65.123 63.200 -0.050 0.000 1.081 349 S HN 0.917 nan 8.310 nan 0.000 0.476 350 T N -0.533 114.016 114.554 -0.008 0.000 3.015 350 T HA 0.064 4.414 4.350 0.001 0.000 0.250 350 T C 1.600 176.285 174.700 -0.025 0.000 1.057 350 T CA 0.932 63.029 62.100 -0.004 0.000 1.066 350 T CB -0.456 68.415 68.868 0.005 0.000 0.959 350 T HN 0.677 nan 8.240 nan 0.000 0.488 351 T N -1.490 113.043 114.554 -0.035 0.000 3.051 351 T HA 0.577 4.927 4.350 0.001 0.000 0.255 351 T C 1.147 175.689 174.700 -0.263 0.000 1.085 351 T CA 0.444 62.522 62.100 -0.038 0.000 1.109 351 T CB 0.220 69.144 68.868 0.094 0.000 0.921 351 T HN 0.633 nan 8.240 nan 0.000 0.488 352 G N 0.197 108.677 108.800 -0.534 0.000 2.635 352 G HA2 0.477 4.438 3.960 0.001 0.000 0.194 352 G HA3 0.477 4.438 3.960 0.001 0.000 0.194 352 G C -1.501 173.124 174.900 -0.458 0.000 1.198 352 G CA -0.622 43.938 45.100 -0.899 0.000 0.972 352 G HN 0.480 nan 8.290 nan 0.000 0.520 353 W N -0.268 120.774 121.300 -0.431 0.000 2.030 353 W HA 0.726 5.387 4.660 0.001 0.000 0.412 353 W C -0.336 176.136 176.519 -0.079 0.000 1.715 353 W CA -1.159 56.064 57.345 -0.204 0.000 1.895 353 W CB 0.356 29.670 29.460 -0.244 0.000 1.381 353 W HN 0.257 nan 8.180 nan 0.000 0.717 354 V N 2.646 122.645 119.914 0.142 0.000 2.394 354 V HA 0.694 4.815 4.120 0.001 0.000 0.282 354 V C 0.733 176.898 176.094 0.119 0.000 1.031 354 V CA 0.190 62.525 62.300 0.058 0.000 0.881 354 V CB 0.096 31.955 31.823 0.060 0.000 0.982 354 V HN 1.265 nan 8.190 nan 0.000 0.451 355 G N 5.158 113.982 108.800 0.040 0.000 2.829 355 G HA2 -0.202 3.759 3.960 0.001 0.000 0.628 355 G HA3 -0.202 3.759 3.960 0.001 0.000 0.628 355 G C 0.395 175.370 174.900 0.125 0.000 1.412 355 G CA 0.259 45.403 45.100 0.074 0.000 0.864 355 G HN 0.680 nan 8.290 nan 0.000 0.544 356 R N -0.695 119.866 120.500 0.101 0.000 2.070 356 R HA 0.058 4.398 4.340 0.001 0.000 0.233 356 R C 1.986 178.231 176.300 -0.093 0.000 1.137 356 R CA 2.256 58.365 56.100 0.015 0.000 0.945 356 R CB -0.124 30.185 30.300 0.014 0.000 0.845 356 R HN 0.478 nan 8.270 nan 0.000 0.430 357 F N -0.891 119.198 119.950 0.232 0.000 2.784 357 F HA 0.267 4.795 4.527 0.001 0.000 0.323 357 F C 0.162 175.989 175.800 0.045 0.000 1.085 357 F CA -0.472 57.608 58.000 0.132 0.000 1.196 357 F CB 0.780 39.851 39.000 0.119 0.000 1.053 357 F HN -0.079 nan 8.300 nan 0.000 0.578 358 R N -1.752 118.879 120.500 0.218 0.000 2.828 358 R HA 0.365 4.706 4.340 0.001 0.000 0.280 358 R C -3.363 172.992 176.300 0.091 0.000 1.020 358 R CA -1.844 54.316 56.100 0.100 0.000 0.855 358 R CB -0.149 30.157 30.300 0.010 0.000 1.278 358 R HN -0.368 nan 8.270 nan 0.000 0.495 359 P HA -0.032 nan 4.420 nan 0.000 0.264 359 P C -0.264 177.054 177.300 0.029 0.000 1.183 359 P CA 0.250 63.367 63.100 0.029 0.000 0.763 359 P CB 0.679 32.374 31.700 -0.007 0.000 0.807 360 S N 2.075 117.803 115.700 0.047 0.000 2.589 360 S HA 0.118 4.589 4.470 0.001 0.000 0.265 360 S C 0.205 174.824 174.600 0.031 0.000 1.342 360 S CA -0.668 57.575 58.200 0.072 0.000 1.005 360 S CB 0.376 63.636 63.200 0.099 0.000 0.909 360 S HN 0.539 nan 8.310 nan 0.000 0.555 361 E N 1.231 121.473 120.200 0.069 0.000 2.249 361 E HA 0.396 4.747 4.350 0.001 0.000 0.280 361 E C -2.810 173.796 176.600 0.011 0.000 1.016 361 E CA -2.392 54.010 56.400 0.003 0.000 0.830 361 E CB 0.690 30.399 29.700 0.016 0.000 1.081 361 E HN 0.442 nan 8.360 nan 0.000 0.395 362 P HA 0.199 nan 4.420 nan 0.000 0.276 362 P C -0.698 176.499 177.300 -0.172 0.000 1.244 362 P CA -0.269 62.691 63.100 -0.233 0.000 0.801 362 P CB 0.745 31.943 31.700 -0.836 0.000 1.006 363 H N 1.661 120.711 119.070 -0.034 0.000 2.786 363 H HA 0.278 4.834 4.556 0.001 0.000 0.284 363 H C -0.279 175.146 175.328 0.162 0.000 1.104 363 H CA -0.367 55.759 56.048 0.129 0.000 1.339 363 H CB 0.115 29.989 29.762 0.188 0.000 1.427 363 H HN 0.303 nan 8.280 nan 0.000 0.497 364 F N 1.883 121.995 119.950 0.270 0.000 2.418 364 F HA 0.033 4.560 4.527 0.001 0.000 0.341 364 F C 1.724 177.709 175.800 0.309 0.000 1.120 364 F CA -0.298 57.880 58.000 0.297 0.000 1.232 364 F CB 0.869 39.975 39.000 0.177 0.000 1.175 364 F HN 0.358 nan 8.300 nan 0.000 0.569 365 T N 0.050 114.905 114.554 0.503 0.000 2.726 365 T HA 0.195 4.546 4.350 0.001 0.000 0.294 365 T C 1.369 176.260 174.700 0.318 0.000 1.013 365 T CA -0.697 61.636 62.100 0.389 0.000 0.996 365 T CB 0.558 69.646 68.868 0.367 0.000 1.016 365 T HN 0.571 nan 8.240 nan 0.000 0.529 366 L N 0.949 122.315 121.223 0.239 0.000 2.013 366 L HA -0.146 4.195 4.340 0.001 0.000 0.212 366 L C 2.427 179.408 176.870 0.185 0.000 1.073 366 L CA 2.176 57.130 54.840 0.190 0.000 0.753 366 L CB -0.675 41.473 42.059 0.148 0.000 0.890 366 L HN 0.887 nan 8.230 nan 0.000 0.432 367 D N -1.075 119.437 120.400 0.187 0.000 2.349 367 D HA 0.021 4.662 4.640 0.001 0.000 0.224 367 D C 1.483 177.897 176.300 0.190 0.000 1.029 367 D CA 0.716 54.816 54.000 0.167 0.000 0.879 367 D CB -0.234 40.654 40.800 0.146 0.000 0.906 367 D HN 0.293 nan 8.370 nan 0.000 0.528 368 G N 0.596 109.550 108.800 0.256 0.000 2.166 368 G HA2 -0.375 3.586 3.960 0.001 0.000 0.260 368 G HA3 -0.375 3.586 3.960 0.001 0.000 0.260 368 G C 0.973 176.081 174.900 0.346 0.000 0.986 368 G CA 0.473 45.750 45.100 0.295 0.000 0.683 368 G HN 0.375 nan 8.290 nan 0.000 0.527 369 N N 0.016 118.892 118.700 0.293 0.000 2.424 369 N HA 0.137 4.878 4.740 0.001 0.000 0.178 369 N C 1.183 176.832 175.510 0.232 0.000 1.060 369 N CA 1.207 54.400 53.050 0.238 0.000 0.901 369 N CB 0.346 38.929 38.487 0.160 0.000 0.979 369 N HN 0.885 nan 8.380 nan 0.000 0.451 370 S N -0.428 115.434 115.700 0.270 0.000 2.651 370 S HA 0.786 5.257 4.470 0.001 0.000 0.279 370 S C -0.930 173.768 174.600 0.164 0.000 1.148 370 S CA -0.944 57.291 58.200 0.058 0.000 0.837 370 S CB 1.944 65.091 63.200 -0.087 0.000 1.138 370 S HN 0.130 nan 8.310 nan 0.000 0.478 371 F N -2.067 117.719 119.950 -0.272 0.000 2.693 371 F HA 0.779 5.307 4.527 0.001 0.000 0.309 371 F C -2.290 173.323 175.800 -0.313 0.000 1.129 371 F CA -1.520 56.261 58.000 -0.365 0.000 0.948 371 F CB 0.533 38.899 39.000 -1.056 0.000 1.315 371 F HN 0.594 nan 8.300 nan 0.000 0.447 372 Y N 1.472 121.927 120.300 0.257 0.000 2.360 372 Y HA 0.695 5.246 4.550 0.001 0.000 0.337 372 Y C -0.202 175.842 175.900 0.239 0.000 1.039 372 Y CA -0.804 57.426 58.100 0.216 0.000 1.109 372 Y CB 2.087 40.620 38.460 0.122 0.000 1.201 372 Y HN 0.764 nan 8.280 nan 0.000 0.458 373 K N 3.030 123.631 120.400 0.336 0.000 2.543 373 K HA 0.509 4.829 4.320 0.001 0.000 0.255 373 K C -1.805 174.921 176.600 0.208 0.000 0.934 373 K CA -0.510 55.926 56.287 0.247 0.000 0.810 373 K CB 1.449 34.031 32.500 0.137 0.000 1.315 373 K HN 0.727 nan 8.250 nan 0.000 0.433 374 I N 6.351 127.014 120.570 0.155 0.000 2.471 374 I HA 0.269 4.440 4.170 0.001 0.000 0.286 374 I C 0.137 176.335 176.117 0.137 0.000 1.079 374 I CA -0.274 61.102 61.300 0.127 0.000 1.398 374 I CB 0.331 38.383 38.000 0.086 0.000 1.403 374 I HN 0.518 nan 8.210 nan 0.000 0.530 375 I N 2.248 122.928 120.570 0.183 0.000 2.913 375 I HA 0.480 4.651 4.170 0.001 0.000 0.302 375 I C -0.238 175.993 176.117 0.190 0.000 1.246 375 I CA -0.852 60.552 61.300 0.174 0.000 1.010 375 I CB 2.267 40.391 38.000 0.205 0.000 1.259 375 I HN 0.461 nan 8.210 nan 0.000 0.434 376 S N 2.732 118.475 115.700 0.072 0.000 2.531 376 S HA 0.267 4.738 4.470 0.001 0.000 0.279 376 S C 0.004 174.635 174.600 0.051 0.000 1.305 376 S CA -0.725 57.464 58.200 -0.018 0.000 1.058 376 S CB 0.175 63.294 63.200 -0.135 0.000 0.899 376 S HN 0.809 nan 8.310 nan 0.000 0.493 377 N N 2.019 120.651 118.700 -0.115 0.000 2.328 377 N HA 0.113 4.854 4.740 0.001 0.000 0.277 377 N C 0.655 176.080 175.510 -0.143 0.000 1.286 377 N CA -0.612 52.250 53.050 -0.313 0.000 0.949 377 N CB -0.082 37.814 38.487 -0.984 0.000 1.136 377 N HN 0.578 nan 8.380 nan 0.000 0.550 378 E N -0.733 119.381 120.200 -0.143 0.000 2.333 378 E HA -0.130 4.221 4.350 0.001 0.000 0.198 378 E C 0.420 176.974 176.600 -0.075 0.000 1.007 378 E CA 0.966 57.320 56.400 -0.076 0.000 0.845 378 E CB -0.108 29.556 29.700 -0.059 0.000 0.766 378 E HN 0.602 nan 8.360 nan 0.000 0.507 379 E N -0.746 119.406 120.200 -0.081 0.000 2.479 379 E HA 0.132 4.483 4.350 0.001 0.000 0.193 379 E C 1.015 177.627 176.600 0.021 0.000 1.049 379 E CA 0.556 56.958 56.400 0.004 0.000 0.870 379 E CB 0.581 30.300 29.700 0.033 0.000 0.944 379 E HN 0.308 nan 8.360 nan 0.000 0.492 380 G N -0.108 108.641 108.800 -0.085 0.000 2.141 380 G HA2 -0.288 3.673 3.960 0.001 0.000 0.231 380 G HA3 -0.288 3.673 3.960 0.001 0.000 0.231 380 G C -0.436 174.217 174.900 -0.411 0.000 0.984 380 G CA -0.166 44.782 45.100 -0.253 0.000 0.660 380 G HN 0.213 nan 8.290 nan 0.000 0.525 381 Y N 0.292 120.448 120.300 -0.239 0.000 2.342 381 Y HA 0.649 5.200 4.550 0.001 0.000 0.334 381 Y C 1.154 176.848 175.900 -0.344 0.000 1.067 381 Y CA -0.951 56.978 58.100 -0.286 0.000 1.128 381 Y CB 1.027 39.329 38.460 -0.264 0.000 1.200 381 Y HN 0.077 nan 8.280 nan 0.000 0.464 382 R N 3.732 124.053 120.500 -0.298 0.000 2.296 382 R HA 0.253 4.594 4.340 0.001 0.000 0.323 382 R C -0.731 175.233 176.300 -0.560 0.000 1.067 382 R CA -0.012 55.920 56.100 -0.280 0.000 0.946 382 R CB 0.055 30.252 30.300 -0.172 0.000 0.991 382 R HN 0.659 nan 8.270 nan 0.000 0.448 383 H N 1.698 120.725 119.070 -0.071 0.000 2.941 383 H HA 0.347 4.903 4.556 0.001 0.000 0.344 383 H C -0.142 175.250 175.328 0.106 0.000 1.235 383 H CA -0.975 55.015 56.048 -0.097 0.000 1.149 383 H CB 1.578 31.175 29.762 -0.276 0.000 1.885 383 H HN 0.315 nan 8.280 nan 0.000 0.558 384 I N 1.378 122.041 120.570 0.155 0.000 2.379 384 I HA 0.056 4.227 4.170 0.001 0.000 0.290 384 I C 0.332 176.501 176.117 0.088 0.000 1.063 384 I CA 0.050 61.405 61.300 0.091 0.000 1.351 384 I CB 0.324 38.287 38.000 -0.061 0.000 1.410 384 I HN 0.131 nan 8.210 nan 0.000 0.505 385 c N 7.357 125.942 118.600 -0.025 0.000 2.355 385 c HA 0.403 4.974 4.570 0.001 0.000 0.332 385 c C -0.325 173.647 174.090 -0.196 0.000 1.255 385 c CA -0.475 55.605 56.329 -0.415 0.000 1.792 385 c CB 0.792 42.761 42.510 -0.900 0.000 2.300 385 c HN 0.632 nan 8.230 nan 0.000 0.515 386 Y N 5.118 125.108 120.300 -0.516 0.000 2.367 386 Y HA 0.613 5.163 4.550 0.001 0.000 0.342 386 Y C -0.910 174.563 175.900 -0.711 0.000 0.979 386 Y CA -0.980 56.751 58.100 -0.616 0.000 1.161 386 Y CB 0.081 38.252 38.460 -0.482 0.000 1.155 386 Y HN 0.636 nan 8.280 nan 0.000 0.503 387 F N 3.780 122.987 119.950 -1.239 0.000 2.458 387 F HA 0.454 4.982 4.527 0.001 0.000 0.330 387 F C -0.037 174.985 175.800 -1.296 0.000 1.082 387 F CA -1.004 56.181 58.000 -1.359 0.000 0.995 387 F CB 1.493 39.257 39.000 -2.060 0.000 1.170 387 F HN 0.272 nan 8.300 nan 0.000 0.478 388 Q N 2.004 121.435 119.800 -0.615 0.000 2.293 388 Q HA 0.335 4.676 4.340 0.001 0.000 0.261 388 Q C 0.926 176.883 176.000 -0.072 0.000 0.960 388 Q CA -0.333 55.257 55.803 -0.355 0.000 0.882 388 Q CB 1.609 30.197 28.738 -0.251 0.000 1.275 388 Q HN 0.694 nan 8.270 nan 0.000 0.445 389 I N -0.580 120.058 120.570 0.113 0.000 2.335 389 I HA -0.163 4.007 4.170 0.001 0.000 0.251 389 I C 0.289 176.627 176.117 0.368 0.000 1.129 389 I CA 1.530 63.054 61.300 0.374 0.000 1.402 389 I CB -0.022 38.200 38.000 0.371 0.000 1.069 389 I HN 0.451 nan 8.210 nan 0.000 0.424 390 D N 0.564 121.069 120.400 0.175 0.000 2.894 390 D HA 0.325 4.965 4.640 0.001 0.000 0.273 390 D C -0.233 176.097 176.300 0.050 0.000 1.328 390 D CA -0.389 53.665 54.000 0.090 0.000 0.845 390 D CB 0.290 41.121 40.800 0.053 0.000 1.072 390 D HN 0.208 nan 8.370 nan 0.000 0.484 391 K N 0.091 120.550 120.400 0.099 0.000 2.427 391 K HA 0.314 4.635 4.320 0.001 0.000 0.252 391 K C 0.632 177.298 176.600 0.109 0.000 0.931 391 K CA -0.734 55.573 56.287 0.035 0.000 0.793 391 K CB 2.580 35.052 32.500 -0.047 0.000 1.211 391 K HN -0.124 nan 8.250 nan 0.000 0.426 392 K N 1.411 121.824 120.400 0.023 0.000 2.076 392 K HA 0.029 4.349 4.320 0.001 0.000 0.204 392 K C -0.514 176.088 176.600 0.002 0.000 1.051 392 K CA 1.063 57.374 56.287 0.040 0.000 0.949 392 K CB 0.295 32.787 32.500 -0.014 0.000 0.726 392 K HN 0.601 nan 8.250 nan 0.000 0.443 393 D N 1.397 121.737 120.400 -0.099 0.000 2.210 393 D HA 0.094 4.735 4.640 0.001 0.000 0.249 393 D C -0.080 175.979 176.300 -0.402 0.000 1.078 393 D CA -0.318 53.556 54.000 -0.210 0.000 0.875 393 D CB 1.367 42.070 40.800 -0.162 0.000 1.175 393 D HN 0.316 nan 8.370 nan 0.000 0.440 394 c N 0.328 118.516 118.600 -0.686 0.000 2.401 394 c HA 0.794 5.365 4.570 0.001 0.000 0.356 394 c C 0.247 173.901 174.090 -0.726 0.000 1.192 394 c CA -0.596 55.101 56.329 -1.053 0.000 2.028 394 c CB 1.016 42.169 42.510 -2.261 0.000 2.344 394 c HN 0.478 nan 8.230 nan 0.000 0.525 395 T N 2.174 116.375 114.554 -0.588 0.000 2.779 395 T HA 0.475 4.825 4.350 0.001 0.000 0.280 395 T C -0.633 173.859 174.700 -0.346 0.000 0.987 395 T CA 0.122 62.026 62.100 -0.326 0.000 0.966 395 T CB 0.372 69.192 68.868 -0.081 0.000 0.933 395 T HN 0.492 nan 8.240 nan 0.000 0.442 396 F N 3.219 123.053 119.950 -0.193 0.000 2.495 396 F HA 0.246 4.774 4.527 0.001 0.000 0.365 396 F C 1.625 177.249 175.800 -0.293 0.000 1.090 396 F CA -0.841 57.029 58.000 -0.217 0.000 1.235 396 F CB 0.407 39.279 39.000 -0.213 0.000 1.119 396 F HN 0.577 nan 8.300 nan 0.000 0.562 397 I N -0.614 119.827 120.570 -0.215 0.000 4.057 397 I HA 0.244 4.415 4.170 0.001 0.000 0.334 397 I C 0.126 176.045 176.117 -0.331 0.000 1.308 397 I CA 0.105 61.036 61.300 -0.615 0.000 1.125 397 I CB 0.039 37.449 38.000 -0.982 0.000 1.034 397 I HN 0.491 nan 8.210 nan 0.000 0.401 398 T N 0.066 114.497 114.554 -0.205 0.000 2.896 398 T HA 0.708 5.059 4.350 0.001 0.000 0.297 398 T C -0.779 173.535 174.700 -0.643 0.000 1.108 398 T CA -0.718 61.245 62.100 -0.228 0.000 1.004 398 T CB 2.674 71.483 68.868 -0.099 0.000 1.159 398 T HN 0.478 nan 8.240 nan 0.000 0.499 399 K N -0.154 119.698 120.400 -0.913 0.000 2.607 399 K HA 0.780 5.101 4.320 0.001 0.000 0.287 399 K C -0.539 175.422 176.600 -1.065 0.000 0.996 399 K CA -0.973 54.478 56.287 -1.395 0.000 0.876 399 K CB 1.380 33.456 32.500 -0.706 0.000 1.496 399 K HN 1.626 nan 8.250 nan 0.000 0.415 400 G N 0.029 108.230 108.800 -0.997 0.000 2.339 400 G HA2 0.090 4.051 3.960 0.001 0.000 0.381 400 G HA3 0.090 4.051 3.960 0.001 0.000 0.381 400 G C -0.737 173.628 174.900 -0.892 0.000 1.400 400 G CA -0.406 44.279 45.100 -0.691 0.000 1.002 400 G HN 0.992 nan 8.290 nan 0.000 0.633 401 T N -0.207 113.982 114.554 -0.609 0.000 4.313 401 T HA 0.551 4.902 4.350 0.001 0.000 0.272 401 T C 0.246 174.818 174.700 -0.214 0.000 1.298 401 T CA 0.603 62.181 62.100 -0.869 0.000 1.124 401 T CB -0.970 67.622 68.868 -0.460 0.000 1.352 401 T HN 1.578 nan 8.240 nan 0.000 1.013 402 W N -0.255 120.940 121.300 -0.175 0.000 2.926 402 W HA 0.600 5.261 4.660 0.001 0.000 0.361 402 W C -1.582 174.956 176.519 0.032 0.000 1.195 402 W CA -0.962 56.404 57.345 0.035 0.000 1.177 402 W CB 0.574 30.026 29.460 -0.012 0.000 1.453 402 W HN 0.232 nan 8.180 nan 0.000 0.571 403 E N 0.716 121.121 120.200 0.343 0.000 2.343 403 E HA 0.476 4.827 4.350 0.001 0.000 0.270 403 E C -1.205 175.533 176.600 0.231 0.000 0.895 403 E CA -1.179 55.219 56.400 -0.005 0.000 0.767 403 E CB 3.353 33.056 29.700 0.005 0.000 1.248 403 E HN 0.163 nan 8.360 nan 0.000 0.440 404 V N 3.381 123.297 119.914 0.004 0.000 2.530 404 V HA 0.025 4.146 4.120 0.001 0.000 0.282 404 V C 1.149 177.329 176.094 0.144 0.000 1.048 404 V CA -0.062 62.321 62.300 0.139 0.000 0.997 404 V CB 0.708 32.492 31.823 -0.065 0.000 0.987 404 V HN 0.675 nan 8.190 nan 0.000 0.477 405 I N 3.039 123.726 120.570 0.195 0.000 2.339 405 I HA 0.255 4.426 4.170 0.001 0.000 0.245 405 I C 1.111 177.337 176.117 0.181 0.000 1.096 405 I CA 1.214 62.625 61.300 0.185 0.000 1.408 405 I CB -0.820 37.236 38.000 0.093 0.000 1.092 405 I HN 0.739 nan 8.210 nan 0.000 0.423 406 G N 0.546 109.451 108.800 0.176 0.000 2.673 406 G HA2 0.569 4.530 3.960 0.001 0.000 0.292 406 G HA3 0.569 4.530 3.960 0.001 0.000 0.292 406 G C -1.329 173.650 174.900 0.133 0.000 1.450 406 G CA -0.532 44.661 45.100 0.156 0.000 0.837 406 G HN -0.039 nan 8.290 nan 0.000 0.505 407 I N 1.380 121.953 120.570 0.005 0.000 2.371 407 I HA 0.263 4.434 4.170 0.001 0.000 0.290 407 I C 0.737 176.806 176.117 -0.080 0.000 1.028 407 I CA -0.478 60.726 61.300 -0.160 0.000 1.345 407 I CB 1.731 39.324 38.000 -0.679 0.000 1.407 407 I HN 0.506 nan 8.210 nan 0.000 0.501 408 E N 4.909 125.123 120.200 0.024 0.000 2.330 408 E HA 0.354 4.705 4.350 0.001 0.000 0.200 408 E C 0.057 176.614 176.600 -0.072 0.000 0.922 408 E CA 0.189 56.643 56.400 0.090 0.000 0.935 408 E CB 0.909 30.745 29.700 0.227 0.000 0.917 408 E HN 0.650 nan 8.360 nan 0.000 0.491 409 A N 0.729 123.401 122.820 -0.246 0.000 2.605 409 A HA 0.614 4.934 4.320 0.001 0.000 0.294 409 A C -1.967 175.540 177.584 -0.129 0.000 1.062 409 A CA -0.634 51.167 52.037 -0.394 0.000 0.682 409 A CB 1.339 19.510 19.000 -1.380 0.000 1.278 409 A HN 0.043 nan 8.150 nan 0.000 0.410 410 L N 1.332 122.524 121.223 -0.051 0.000 2.436 410 L HA 0.871 5.212 4.340 0.001 0.000 0.268 410 L C 0.002 176.900 176.870 0.047 0.000 0.974 410 L CA 0.511 55.354 54.840 0.005 0.000 0.826 410 L CB 2.260 44.344 42.059 0.042 0.000 1.291 410 L HN 1.265 nan 8.230 nan 0.000 0.406 411 T N -0.472 114.121 114.554 0.065 0.000 2.864 411 T HA 0.404 4.754 4.350 0.001 0.000 0.289 411 T C 0.938 175.670 174.700 0.053 0.000 1.082 411 T CA 0.041 62.191 62.100 0.084 0.000 1.009 411 T CB 1.232 70.184 68.868 0.141 0.000 1.234 411 T HN 0.707 nan 8.240 nan 0.000 0.526 412 S N -0.256 115.477 115.700 0.055 0.000 2.419 412 S HA -0.116 4.355 4.470 0.001 0.000 0.233 412 S C 0.945 175.520 174.600 -0.041 0.000 1.016 412 S CA 1.248 59.466 58.200 0.031 0.000 0.974 412 S CB -0.577 62.647 63.200 0.040 0.000 0.786 412 S HN 0.722 nan 8.310 nan 0.000 0.492 413 D N -0.722 119.639 120.400 -0.065 0.000 2.379 413 D HA 0.239 4.880 4.640 0.001 0.000 0.218 413 D C -0.415 175.572 176.300 -0.521 0.000 1.006 413 D CA 0.623 54.459 54.000 -0.272 0.000 0.893 413 D CB 0.312 40.961 40.800 -0.251 0.000 1.019 413 D HN 0.447 nan 8.370 nan 0.000 0.503 414 Y N -0.268 119.957 120.300 -0.124 0.000 2.581 414 Y HA 0.472 5.022 4.550 0.001 0.000 0.345 414 Y C -0.660 175.045 175.900 -0.326 0.000 1.036 414 Y CA -1.015 56.920 58.100 -0.275 0.000 1.042 414 Y CB 2.475 40.653 38.460 -0.470 0.000 1.289 414 Y HN -0.288 nan 8.280 nan 0.000 0.471 415 L N 2.492 123.580 121.223 -0.226 0.000 2.356 415 L HA 0.604 4.945 4.340 0.001 0.000 0.277 415 L C -1.870 174.848 176.870 -0.254 0.000 0.996 415 L CA -0.589 54.103 54.840 -0.248 0.000 0.822 415 L CB 0.909 42.735 42.059 -0.387 0.000 1.256 415 L HN 0.609 nan 8.230 nan 0.000 0.413 416 Y N 4.818 125.031 120.300 -0.146 0.000 2.342 416 Y HA 0.557 5.108 4.550 0.001 0.000 0.334 416 Y C -0.357 175.539 175.900 -0.007 0.000 1.067 416 Y CA -0.220 57.791 58.100 -0.149 0.000 1.128 416 Y CB 1.313 39.571 38.460 -0.337 0.000 1.200 416 Y HN 0.551 nan 8.280 nan 0.000 0.464 417 Y N -0.240 120.117 120.300 0.095 0.000 2.670 417 Y HA 0.804 5.355 4.550 0.001 0.000 0.334 417 Y C -1.896 174.085 175.900 0.134 0.000 1.185 417 Y CA -2.037 56.112 58.100 0.082 0.000 1.053 417 Y CB 1.067 39.547 38.460 0.034 0.000 1.298 417 Y HN 0.417 nan 8.280 nan 0.000 0.459 418 I N 2.687 123.434 120.570 0.295 0.000 2.441 418 I HA 0.672 4.843 4.170 0.001 0.000 0.295 418 I C -0.489 175.822 176.117 0.324 0.000 0.994 418 I CA -0.443 60.975 61.300 0.197 0.000 1.144 418 I CB 2.050 40.110 38.000 0.100 0.000 1.314 418 I HN 0.869 nan 8.210 nan 0.000 0.445 419 S N 2.927 118.782 115.700 0.259 0.000 2.638 419 S HA 0.424 4.895 4.470 0.001 0.000 0.274 419 S C -0.622 174.036 174.600 0.097 0.000 1.157 419 S CA -0.906 57.433 58.200 0.232 0.000 0.826 419 S CB 1.646 65.004 63.200 0.263 0.000 1.139 419 S HN 0.628 nan 8.310 nan 0.000 0.474 420 N N -0.301 118.453 118.700 0.091 0.000 2.380 420 N HA 0.145 4.886 4.740 0.001 0.000 0.255 420 N C 0.542 176.032 175.510 -0.033 0.000 1.158 420 N CA -0.263 52.795 53.050 0.014 0.000 0.878 420 N CB 0.304 38.792 38.487 0.001 0.000 1.138 420 N HN 0.831 nan 8.380 nan 0.000 0.509 421 E N -0.040 120.002 120.200 -0.263 0.000 2.072 421 E HA -0.203 4.148 4.350 0.001 0.000 0.191 421 E C -0.298 176.150 176.600 -0.253 0.000 0.985 421 E CA 0.216 56.224 56.400 -0.654 0.000 0.801 421 E CB -0.116 28.538 29.700 -1.744 0.000 0.750 421 E HN 0.388 nan 8.360 nan 0.000 0.452 422 Y N 2.266 122.473 120.300 -0.156 0.000 2.865 422 Y HA -0.172 4.379 4.550 0.001 0.000 0.338 422 Y C 0.362 176.218 175.900 -0.074 0.000 1.269 422 Y CA 0.997 59.054 58.100 -0.072 0.000 1.585 422 Y CB -0.058 38.385 38.460 -0.029 0.000 1.224 422 Y HN 0.129 nan 8.280 nan 0.000 0.554 423 K N 3.481 123.579 120.400 -0.504 0.000 3.193 423 K HA -0.255 4.066 4.320 0.001 0.000 0.294 423 K C 0.885 177.388 176.600 -0.163 0.000 1.185 423 K CA 0.821 56.867 56.287 -0.403 0.000 0.866 423 K CB -1.721 30.461 32.500 -0.531 0.000 1.227 423 K HN 1.287 nan 8.250 nan 0.000 0.467 424 G N 0.604 109.333 108.800 -0.120 0.000 2.225 424 G HA2 -0.336 3.625 3.960 0.001 0.000 0.267 424 G HA3 -0.336 3.625 3.960 0.001 0.000 0.267 424 G C 0.037 174.893 174.900 -0.074 0.000 1.024 424 G CA 0.835 45.912 45.100 -0.038 0.000 0.784 424 G HN 0.337 nan 8.290 nan 0.000 0.507 425 M N 1.017 120.507 119.600 -0.184 0.000 2.094 425 M HA 0.227 4.707 4.480 0.001 0.000 0.348 425 M C -0.826 175.235 176.300 -0.398 0.000 1.267 425 M CA -1.925 53.107 55.300 -0.447 0.000 1.125 425 M CB 1.472 33.873 32.600 -0.332 0.000 1.527 425 M HN -0.045 nan 8.290 nan 0.000 0.447 426 P HA -0.060 nan 4.420 nan 0.000 0.226 426 P C 0.946 178.113 177.300 -0.223 0.000 1.153 426 P CA 1.079 64.023 63.100 -0.261 0.000 0.777 426 P CB 0.155 31.732 31.700 -0.205 0.000 0.794 427 G N -0.601 107.998 108.800 -0.335 0.000 3.284 427 G HA2 0.324 4.284 3.960 0.001 0.000 0.236 427 G HA3 0.324 4.284 3.960 0.001 0.000 0.236 427 G C 0.623 175.525 174.900 0.003 0.000 1.158 427 G CA 0.042 45.068 45.100 -0.123 0.000 0.774 427 G HN 0.424 nan 8.290 nan 0.000 0.545 428 G N -0.178 108.567 108.800 -0.092 0.000 2.454 428 G HA2 0.661 4.622 3.960 0.001 0.000 0.329 428 G HA3 0.661 4.622 3.960 0.001 0.000 0.329 428 G C -0.923 173.858 174.900 -0.198 0.000 1.177 428 G CA -0.773 44.302 45.100 -0.043 0.000 0.951 428 G HN 0.072 nan 8.290 nan 0.000 0.485 429 R N 1.062 121.402 120.500 -0.267 0.000 2.533 429 R HA 0.434 4.775 4.340 0.001 0.000 0.288 429 R C -1.285 174.966 176.300 -0.083 0.000 1.039 429 R CA -0.803 55.115 56.100 -0.303 0.000 0.909 429 R CB 2.121 31.991 30.300 -0.716 0.000 1.195 429 R HN 0.600 nan 8.270 nan 0.000 0.438 430 N N 1.544 120.216 118.700 -0.047 0.000 2.284 430 N HA 0.340 5.081 4.740 0.001 0.000 0.289 430 N C -1.282 174.086 175.510 -0.238 0.000 1.179 430 N CA -0.822 52.108 53.050 -0.200 0.000 0.774 430 N CB 2.747 41.009 38.487 -0.375 0.000 1.548 430 N HN 0.265 nan 8.380 nan 0.000 0.473 431 L N 2.158 123.097 121.223 -0.473 0.000 2.276 431 L HA 0.477 4.818 4.340 0.001 0.000 0.286 431 L C -1.435 175.066 176.870 -0.614 0.000 1.061 431 L CA 0.060 54.659 54.840 -0.401 0.000 0.807 431 L CB -0.161 41.655 42.059 -0.405 0.000 1.177 431 L HN 0.404 nan 8.230 nan 0.000 0.429 432 Y N 3.440 123.384 120.300 -0.594 0.000 2.602 432 Y HA 0.663 5.214 4.550 0.001 0.000 0.342 432 Y C -0.445 175.069 175.900 -0.643 0.000 1.029 432 Y CA -0.900 56.795 58.100 -0.675 0.000 1.080 432 Y CB 1.685 39.579 38.460 -0.944 0.000 1.284 432 Y HN 0.575 nan 8.280 nan 0.000 0.485 433 K N 1.501 121.714 120.400 -0.312 0.000 2.422 433 K HA 0.790 5.111 4.320 0.001 0.000 0.251 433 K C -1.936 174.610 176.600 -0.091 0.000 0.933 433 K CA -0.762 55.275 56.287 -0.416 0.000 0.798 433 K CB 2.884 34.895 32.500 -0.816 0.000 1.238 433 K HN 0.747 nan 8.250 nan 0.000 0.428 434 I N 1.704 122.301 120.570 0.045 0.000 2.498 434 I HA 0.175 4.346 4.170 0.001 0.000 0.290 434 I C -0.849 175.359 176.117 0.153 0.000 1.032 434 I CA -0.782 60.617 61.300 0.164 0.000 1.073 434 I CB 2.155 40.276 38.000 0.200 0.000 1.251 434 I HN 0.831 nan 8.210 nan 0.000 0.426 435 Q N 6.098 125.968 119.800 0.116 0.000 2.262 435 Q HA 0.172 4.513 4.340 0.001 0.000 0.272 435 Q C 0.497 176.435 176.000 -0.104 0.000 1.076 435 Q CA -0.067 55.623 55.803 -0.189 0.000 0.905 435 Q CB 1.040 29.696 28.738 -0.136 0.000 1.182 435 Q HN 0.799 nan 8.270 nan 0.000 0.390 436 L N 2.319 123.418 121.223 -0.205 0.000 2.191 436 L HA -0.172 4.169 4.340 0.001 0.000 0.212 436 L C 2.141 178.917 176.870 -0.155 0.000 1.103 436 L CA 1.229 56.033 54.840 -0.059 0.000 0.769 436 L CB -0.362 41.626 42.059 -0.118 0.000 0.908 436 L HN 0.645 nan 8.230 nan 0.000 0.438 437 S N -2.456 113.110 115.700 -0.223 0.000 2.562 437 S HA -0.026 4.445 4.470 0.001 0.000 0.221 437 S C 0.448 174.873 174.600 -0.292 0.000 0.975 437 S CA 0.026 58.081 58.200 -0.240 0.000 0.918 437 S CB 0.060 63.151 63.200 -0.181 0.000 0.772 437 S HN 0.386 nan 8.310 nan 0.000 0.531 438 D N -0.226 120.009 120.400 -0.276 0.000 2.312 438 D HA 0.187 4.828 4.640 0.001 0.000 0.229 438 D C -0.519 175.739 176.300 -0.071 0.000 1.337 438 D CA -0.556 53.308 54.000 -0.227 0.000 0.964 438 D CB 0.040 40.767 40.800 -0.121 0.000 1.456 438 D HN -0.029 nan 8.370 nan 0.000 0.547 439 Y N 1.021 121.303 120.300 -0.031 0.000 2.569 439 Y HA -0.078 4.472 4.550 0.001 0.000 0.293 439 Y C 2.571 178.476 175.900 0.009 0.000 1.144 439 Y CA 1.385 59.478 58.100 -0.011 0.000 1.321 439 Y CB -0.945 37.510 38.460 -0.009 0.000 0.982 439 Y HN 0.451 nan 8.280 nan 0.000 0.558 440 T N -2.409 112.219 114.554 0.124 0.000 3.035 440 T HA -0.050 4.300 4.350 0.001 0.000 0.268 440 T C 0.721 175.470 174.700 0.082 0.000 1.109 440 T CA 0.317 62.469 62.100 0.086 0.000 1.119 440 T CB -0.197 68.697 68.868 0.042 0.000 0.900 440 T HN 0.125 nan 8.240 nan 0.000 0.503 441 K N 2.211 122.661 120.400 0.084 0.000 2.231 441 K HA 0.470 4.791 4.320 0.001 0.000 0.255 441 K C -1.200 175.470 176.600 0.117 0.000 1.108 441 K CA -0.311 56.027 56.287 0.084 0.000 0.997 441 K CB 1.249 33.788 32.500 0.066 0.000 1.549 441 K HN 0.151 nan 8.250 nan 0.000 0.419 442 V N 2.441 122.424 119.914 0.114 0.000 2.398 442 V HA 0.245 4.365 4.120 0.001 0.000 0.286 442 V C 0.015 176.170 176.094 0.101 0.000 1.026 442 V CA -0.536 61.844 62.300 0.133 0.000 0.868 442 V CB 1.773 33.690 31.823 0.156 0.000 0.982 442 V HN 0.571 nan 8.190 nan 0.000 0.443 443 T N 3.564 118.152 114.554 0.056 0.000 2.807 443 T HA 0.265 4.616 4.350 0.001 0.000 0.279 443 T C -0.444 174.180 174.700 -0.126 0.000 0.993 443 T CA -0.301 61.782 62.100 -0.028 0.000 0.970 443 T CB 1.313 70.129 68.868 -0.086 0.000 0.950 443 T HN 0.756 nan 8.240 nan 0.000 0.441 444 C N 4.975 124.126 119.300 -0.248 0.000 2.415 444 C HA 0.458 4.919 4.460 0.001 0.000 0.369 444 C C 1.557 176.216 174.990 -0.551 0.000 1.279 444 C CA -0.577 58.015 59.018 -0.710 0.000 1.886 444 C CB -1.685 25.526 27.740 -0.881 0.000 2.468 444 C HN 0.993 nan 8.230 nan 0.000 0.553 445 L N 4.655 125.519 121.223 -0.598 0.000 2.529 445 L HA 0.112 4.453 4.340 0.001 0.000 0.223 445 L C 2.047 178.600 176.870 -0.529 0.000 1.113 445 L CA 0.721 55.293 54.840 -0.447 0.000 0.861 445 L CB -0.197 41.638 42.059 -0.375 0.000 1.012 445 L HN 0.880 nan 8.230 nan 0.000 0.461 446 S N -3.186 112.080 115.700 -0.723 0.000 2.593 446 S HA -0.011 4.460 4.470 0.001 0.000 0.235 446 S C 1.839 176.026 174.600 -0.687 0.000 1.059 446 S CA -0.055 57.612 58.200 -0.888 0.000 0.953 446 S CB -0.305 61.956 63.200 -1.565 0.000 0.897 446 S HN 0.286 nan 8.310 nan 0.000 0.507 447 C N 2.238 121.098 119.300 -0.734 0.000 2.363 447 C HA -0.052 4.409 4.460 0.001 0.000 0.274 447 C C 2.493 177.169 174.990 -0.523 0.000 1.183 447 C CA 1.619 60.124 59.018 -0.854 0.000 1.771 447 C CB -1.120 25.864 27.740 -1.260 0.000 2.059 447 C HN 0.607 nan 8.230 nan 0.000 0.455 448 E N -0.028 119.955 120.200 -0.361 0.000 2.474 448 E HA 0.180 4.530 4.350 0.001 0.000 0.195 448 E C 1.856 178.400 176.600 -0.095 0.000 1.039 448 E CA -0.063 56.235 56.400 -0.170 0.000 0.881 448 E CB -0.264 29.358 29.700 -0.129 0.000 0.970 448 E HN 0.562 nan 8.360 nan 0.000 0.486 449 L N 0.255 121.418 121.223 -0.100 0.000 2.012 449 L HA -0.120 4.221 4.340 0.001 0.000 0.210 449 L C 0.921 177.802 176.870 0.018 0.000 1.073 449 L CA 1.014 55.841 54.840 -0.021 0.000 0.748 449 L CB -0.038 42.034 42.059 0.022 0.000 0.891 449 L HN 0.132 nan 8.230 nan 0.000 0.431 450 N N -1.614 117.110 118.700 0.040 0.000 3.111 450 N HA 0.061 4.801 4.740 0.001 0.000 0.200 450 N C -2.130 173.405 175.510 0.042 0.000 1.464 450 N CA -0.823 52.245 53.050 0.031 0.000 0.758 450 N CB 0.769 39.268 38.487 0.020 0.000 1.548 450 N HN -0.197 nan 8.380 nan 0.000 0.595 451 P HA -0.157 nan 4.420 nan 0.000 0.217 451 P C 0.675 178.019 177.300 0.073 0.000 1.148 451 P CA 1.343 64.494 63.100 0.085 0.000 0.828 451 P CB 0.685 32.449 31.700 0.107 0.000 0.783 452 E N -0.508 119.716 120.200 0.041 0.000 2.112 452 E HA -0.096 4.255 4.350 0.001 0.000 0.190 452 E C 2.431 179.034 176.600 0.005 0.000 0.979 452 E CA 0.537 56.952 56.400 0.025 0.000 0.814 452 E CB -0.165 29.543 29.700 0.014 0.000 0.762 452 E HN 0.193 nan 8.360 nan 0.000 0.460 453 R N -0.132 120.360 120.500 -0.014 0.000 2.156 453 R HA 0.086 4.427 4.340 0.001 0.000 0.207 453 R C -0.145 176.107 176.300 -0.080 0.000 1.040 453 R CA 0.500 56.569 56.100 -0.052 0.000 1.013 453 R CB 0.458 30.716 30.300 -0.069 0.000 0.931 453 R HN 0.067 nan 8.270 nan 0.000 0.465 454 c N 0.888 119.449 118.600 -0.066 0.000 2.322 454 c HA 0.429 5.000 4.570 0.001 0.000 0.324 454 c C -0.002 174.083 174.090 -0.009 0.000 1.249 454 c CA -0.673 55.561 56.329 -0.158 0.000 1.453 454 c CB 1.416 43.747 42.510 -0.299 0.000 2.145 454 c HN 0.527 nan 8.230 nan 0.000 0.466 455 Q N 0.385 120.180 119.800 -0.008 0.000 2.081 455 Q HA 0.198 4.539 4.340 0.001 0.000 0.220 455 Q C -1.037 175.050 176.000 0.144 0.000 0.775 455 Q CA 0.082 55.956 55.803 0.119 0.000 0.983 455 Q CB 1.333 30.144 28.738 0.121 0.000 1.188 455 Q HN 0.797 nan 8.270 nan 0.000 0.458 456 Y N 0.371 120.604 120.300 -0.112 0.000 2.317 456 Y HA 0.393 4.944 4.550 0.001 0.000 0.325 456 Y C -1.657 174.136 175.900 -0.177 0.000 1.066 456 Y CA -0.984 57.069 58.100 -0.078 0.000 1.203 456 Y CB 0.819 39.228 38.460 -0.085 0.000 1.127 456 Y HN -0.082 nan 8.280 nan 0.000 0.451 457 Y N 2.212 122.471 120.300 -0.068 0.000 2.562 457 Y HA 0.714 5.265 4.550 0.001 0.000 0.343 457 Y C 0.094 175.956 175.900 -0.063 0.000 1.025 457 Y CA -0.693 57.372 58.100 -0.059 0.000 1.082 457 Y CB 2.406 40.793 38.460 -0.122 0.000 1.264 457 Y HN 0.507 nan 8.280 nan 0.000 0.478 458 S N 0.427 116.232 115.700 0.174 0.000 2.627 458 S HA 0.861 5.332 4.470 0.001 0.000 0.283 458 S C -1.717 172.960 174.600 0.128 0.000 1.127 458 S CA -0.765 57.513 58.200 0.131 0.000 0.863 458 S CB 1.828 65.117 63.200 0.148 0.000 1.121 458 S HN 0.635 nan 8.310 nan 0.000 0.479 459 V N 0.150 120.138 119.914 0.124 0.000 3.130 459 V HA 0.886 5.007 4.120 0.001 0.000 0.310 459 V C -1.240 174.947 176.094 0.156 0.000 1.158 459 V CA -0.342 62.010 62.300 0.087 0.000 1.029 459 V CB 2.348 34.147 31.823 -0.039 0.000 1.057 459 V HN 1.176 nan 8.190 nan 0.000 0.436 460 S N 3.592 119.378 115.700 0.144 0.000 2.779 460 S HA 0.675 5.146 4.470 0.001 0.000 0.293 460 S C -1.245 173.520 174.600 0.275 0.000 1.150 460 S CA -0.375 58.010 58.200 0.308 0.000 1.057 460 S CB 0.405 63.842 63.200 0.395 0.000 1.021 460 S HN 0.484 nan 8.310 nan 0.000 0.485 461 F N 2.893 122.897 119.950 0.090 0.000 2.377 461 F HA 0.476 5.004 4.527 0.001 0.000 0.328 461 F C 1.376 176.739 175.800 -0.729 0.000 1.094 461 F CA -0.280 57.596 58.000 -0.206 0.000 1.093 461 F CB 1.384 40.249 39.000 -0.226 0.000 1.214 461 F HN 0.607 nan 8.300 nan 0.000 0.518 462 S N 1.743 116.809 115.700 -1.058 0.000 2.634 462 S HA 0.195 4.666 4.470 0.001 0.000 0.261 462 S C 1.247 175.611 174.600 -0.393 0.000 1.271 462 S CA -0.826 56.548 58.200 -1.377 0.000 0.985 462 S CB 0.852 63.263 63.200 -1.315 0.000 0.968 462 S HN 0.535 nan 8.310 nan 0.000 0.568 463 K N 0.920 121.227 120.400 -0.156 0.000 2.071 463 K HA -0.157 4.164 4.320 0.001 0.000 0.217 463 K C 0.901 177.485 176.600 -0.026 0.000 1.054 463 K CA 1.836 58.116 56.287 -0.012 0.000 0.937 463 K CB -0.537 31.996 32.500 0.056 0.000 0.719 463 K HN 0.709 nan 8.250 nan 0.000 0.454 464 E N -1.025 119.136 120.200 -0.064 0.000 2.585 464 E HA 0.276 4.627 4.350 0.001 0.000 0.206 464 E C 0.065 176.621 176.600 -0.073 0.000 1.007 464 E CA 0.184 56.559 56.400 -0.042 0.000 1.028 464 E CB 0.512 30.200 29.700 -0.020 0.000 1.087 464 E HN 0.259 nan 8.360 nan 0.000 0.455 465 A N 1.117 123.876 122.820 -0.102 0.000 2.847 465 A HA -0.336 3.984 4.320 0.001 0.000 0.263 465 A C 1.565 179.112 177.584 -0.062 0.000 1.391 465 A CA 1.721 53.715 52.037 -0.071 0.000 0.866 465 A CB -2.046 16.809 19.000 -0.241 0.000 1.057 465 A HN 0.295 nan 8.150 nan 0.000 0.673 466 K N -1.785 118.521 120.400 -0.158 0.000 2.103 466 K HA 0.058 4.379 4.320 0.001 0.000 0.204 466 K C 0.111 176.404 176.600 -0.510 0.000 1.052 466 K CA 1.472 57.573 56.287 -0.309 0.000 0.945 466 K CB -0.015 32.269 32.500 -0.359 0.000 0.722 466 K HN 0.665 nan 8.250 nan 0.000 0.443 467 Y N -0.816 119.365 120.300 -0.197 0.000 2.545 467 Y HA 0.314 4.865 4.550 0.001 0.000 0.348 467 Y C -0.926 174.835 175.900 -0.232 0.000 1.002 467 Y CA -1.317 56.665 58.100 -0.197 0.000 1.039 467 Y CB 1.742 40.094 38.460 -0.179 0.000 1.271 467 Y HN -0.032 nan 8.280 nan 0.000 0.467 468 Y N -0.868 119.351 120.300 -0.135 0.000 2.534 468 Y HA 0.565 5.115 4.550 0.001 0.000 0.345 468 Y C -1.211 174.676 175.900 -0.022 0.000 1.031 468 Y CA -1.498 56.365 58.100 -0.394 0.000 1.022 468 Y CB 1.521 39.173 38.460 -1.346 0.000 1.292 468 Y HN 0.583 nan 8.280 nan 0.000 0.459 469 Q N 3.591 123.502 119.800 0.184 0.000 2.293 469 Q HA 0.561 4.902 4.340 0.001 0.000 0.261 469 Q C -1.832 174.258 176.000 0.149 0.000 0.960 469 Q CA -0.738 55.162 55.803 0.162 0.000 0.882 469 Q CB 1.467 30.291 28.738 0.142 0.000 1.275 469 Q HN 0.980 nan 8.270 nan 0.000 0.445 470 L N 4.104 125.432 121.223 0.174 0.000 2.295 470 L HA 0.537 4.878 4.340 0.001 0.000 0.285 470 L C -0.142 176.791 176.870 0.105 0.000 1.035 470 L CA -0.539 54.401 54.840 0.166 0.000 0.806 470 L CB 1.507 43.679 42.059 0.188 0.000 1.214 470 L HN 0.589 nan 8.230 nan 0.000 0.426 471 R N 3.506 124.038 120.500 0.052 0.000 2.310 471 R HA 0.343 4.683 4.340 0.001 0.000 0.316 471 R C -0.929 175.200 176.300 -0.284 0.000 1.004 471 R CA -0.484 55.456 56.100 -0.267 0.000 0.900 471 R CB 1.166 31.378 30.300 -0.146 0.000 1.152 471 R HN 0.725 nan 8.270 nan 0.000 0.513 472 c N 3.960 122.259 118.600 -0.501 0.000 2.435 472 c HA 0.498 5.069 4.570 0.001 0.000 0.375 472 c C 1.143 174.974 174.090 -0.432 0.000 1.281 472 c CA -0.077 55.839 56.329 -0.687 0.000 1.963 472 c CB 0.602 42.645 42.510 -0.778 0.000 2.490 472 c HN 0.967 nan 8.230 nan 0.000 0.557 473 S N 3.473 119.013 115.700 -0.267 0.000 2.819 473 S HA 0.611 5.081 4.470 0.001 0.000 0.249 473 S C 0.249 174.794 174.600 -0.091 0.000 1.030 473 S CA 0.208 58.320 58.200 -0.147 0.000 1.052 473 S CB 0.033 63.183 63.200 -0.083 0.000 1.017 473 S HN 1.921 nan 8.310 nan 0.000 0.576 474 G N 1.831 110.564 108.800 -0.113 0.000 2.325 474 G HA2 0.432 4.393 3.960 0.001 0.000 0.297 474 G HA3 0.432 4.393 3.960 0.001 0.000 0.297 474 G C -3.061 171.815 174.900 -0.040 0.000 1.448 474 G CA -0.639 44.439 45.100 -0.037 0.000 0.838 474 G HN -0.135 nan 8.290 nan 0.000 0.579 475 P HA 0.127 nan 4.420 nan 0.000 0.236 475 P C 1.238 178.571 177.300 0.056 0.000 1.177 475 P CA 1.193 64.317 63.100 0.041 0.000 0.773 475 P CB 0.499 32.221 31.700 0.036 0.000 0.878 476 G N 0.392 109.163 108.800 -0.049 0.000 2.510 476 G HA2 0.427 4.388 3.960 0.001 0.000 0.280 476 G HA3 0.427 4.388 3.960 0.001 0.000 0.280 476 G C -0.318 174.381 174.900 -0.336 0.000 1.386 476 G CA -0.757 44.248 45.100 -0.158 0.000 1.047 476 G HN 0.036 nan 8.290 nan 0.000 0.527 477 L N 1.164 122.101 121.223 -0.476 0.000 2.456 477 L HA 0.184 4.525 4.340 0.001 0.000 0.272 477 L C -1.893 174.817 176.870 -0.268 0.000 1.189 477 L CA -1.330 53.185 54.840 -0.541 0.000 0.846 477 L CB 0.742 42.533 42.059 -0.448 0.000 1.111 477 L HN 0.231 nan 8.230 nan 0.000 0.475 478 P HA -0.031 nan 4.420 nan 0.000 0.263 478 P C -0.949 176.280 177.300 -0.118 0.000 1.175 478 P CA 0.152 63.169 63.100 -0.137 0.000 0.761 478 P CB 0.455 32.175 31.700 0.034 0.000 0.794 479 L N 5.424 126.484 121.223 -0.272 0.000 2.406 479 L HA 0.477 4.817 4.340 0.001 0.000 0.272 479 L C -1.746 174.948 176.870 -0.292 0.000 0.980 479 L CA -0.699 54.044 54.840 -0.161 0.000 0.831 479 L CB 0.934 42.909 42.059 -0.140 0.000 1.253 479 L HN 0.217 nan 8.230 nan 0.000 0.406 480 Y N 2.728 122.975 120.300 -0.088 0.000 2.352 480 Y HA 0.769 5.320 4.550 0.001 0.000 0.339 480 Y C 0.527 176.319 175.900 -0.180 0.000 0.992 480 Y CA -0.462 57.569 58.100 -0.115 0.000 1.100 480 Y CB 2.130 40.491 38.460 -0.165 0.000 1.192 480 Y HN 0.684 nan 8.280 nan 0.000 0.458 481 T N 0.698 115.247 114.554 -0.008 0.000 2.896 481 T HA 0.713 5.064 4.350 0.001 0.000 0.297 481 T C -1.601 172.997 174.700 -0.170 0.000 1.108 481 T CA -0.890 61.133 62.100 -0.129 0.000 1.004 481 T CB 1.990 70.811 68.868 -0.079 0.000 1.159 481 T HN 0.379 nan 8.240 nan 0.000 0.499 482 L N 1.608 122.610 121.223 -0.367 0.000 2.346 482 L HA 0.638 4.978 4.340 0.001 0.000 0.276 482 L C -0.789 175.736 176.870 -0.574 0.000 1.006 482 L CA -0.322 54.351 54.840 -0.278 0.000 0.817 482 L CB 1.287 43.246 42.059 -0.166 0.000 1.272 482 L HN 0.840 nan 8.230 nan 0.000 0.421 483 H N 1.266 120.106 119.070 -0.383 0.000 2.946 483 H HA 0.606 5.163 4.556 0.001 0.000 0.365 483 H C -1.001 174.074 175.328 -0.420 0.000 1.197 483 H CA -0.839 54.876 56.048 -0.556 0.000 1.131 483 H CB 2.141 31.186 29.762 -1.195 0.000 1.849 483 H HN 0.568 nan 8.280 nan 0.000 0.555 484 S N 0.134 115.730 115.700 -0.174 0.000 2.473 484 S HA 0.242 4.713 4.470 0.001 0.000 0.307 484 S C 0.594 175.126 174.600 -0.113 0.000 1.094 484 S CA -0.714 57.359 58.200 -0.213 0.000 1.070 484 S CB 1.933 65.027 63.200 -0.176 0.000 1.019 484 S HN 0.561 nan 8.310 nan 0.000 0.480 485 S N 2.085 117.737 115.700 -0.080 0.000 2.383 485 S HA -0.115 4.356 4.470 0.001 0.000 0.227 485 S C 1.977 176.597 174.600 0.034 0.000 1.026 485 S CA 1.008 59.267 58.200 0.099 0.000 0.981 485 S CB -0.539 62.712 63.200 0.084 0.000 0.818 485 S HN 0.714 nan 8.310 nan 0.000 0.472 486 V N 2.729 122.620 119.914 -0.038 0.000 2.278 486 V HA -0.208 3.912 4.120 0.001 0.000 0.251 486 V C 0.822 176.917 176.094 0.003 0.000 1.062 486 V CA 1.974 64.267 62.300 -0.011 0.000 1.038 486 V CB -0.302 31.501 31.823 -0.032 0.000 0.646 486 V HN 0.496 nan 8.190 nan 0.000 0.447 487 N N -0.840 117.856 118.700 -0.006 0.000 2.240 487 N HA 0.134 4.875 4.740 0.001 0.000 0.240 487 N C -0.402 175.110 175.510 0.003 0.000 1.277 487 N CA 0.434 53.483 53.050 -0.002 0.000 0.873 487 N CB 0.495 38.981 38.487 -0.001 0.000 1.222 487 N HN 0.486 nan 8.380 nan 0.000 0.507 488 D N 1.205 121.621 120.400 0.028 0.000 2.689 488 D HA -0.171 4.469 4.640 0.001 0.000 0.237 488 D C -0.142 176.182 176.300 0.041 0.000 1.148 488 D CA 1.112 55.153 54.000 0.068 0.000 0.656 488 D CB -0.786 40.042 40.800 0.046 0.000 1.050 488 D HN 0.375 nan 8.370 nan 0.000 0.426 489 K N 0.001 120.405 120.400 0.007 0.000 2.185 489 K HA 0.405 4.726 4.320 0.001 0.000 0.271 489 K C 1.060 177.643 176.600 -0.028 0.000 1.013 489 K CA -0.195 56.087 56.287 -0.009 0.000 0.943 489 K CB 1.080 33.564 32.500 -0.027 0.000 0.998 489 K HN 0.132 nan 8.250 nan 0.000 0.468 490 G N 3.018 111.783 108.800 -0.059 0.000 2.546 490 G HA2 0.212 4.173 3.960 0.001 0.000 0.320 490 G HA3 0.212 4.173 3.960 0.001 0.000 0.320 490 G C 0.850 175.615 174.900 -0.225 0.000 0.984 490 G CA -0.396 44.569 45.100 -0.225 0.000 1.183 490 G HN 0.529 nan 8.290 nan 0.000 0.443 491 L N 1.613 122.676 121.223 -0.267 0.000 1.988 491 L HA 0.188 4.528 4.340 0.001 0.000 0.207 491 L C 1.729 178.504 176.870 -0.158 0.000 1.071 491 L CA 1.121 55.865 54.840 -0.159 0.000 0.744 491 L CB -0.278 41.715 42.059 -0.110 0.000 0.893 491 L HN 0.682 nan 8.230 nan 0.000 0.433 492 R N -1.749 118.619 120.500 -0.220 0.000 2.712 492 R HA 0.464 4.805 4.340 0.001 0.000 0.272 492 R C -1.711 174.457 176.300 -0.220 0.000 1.032 492 R CA -0.877 55.117 56.100 -0.177 0.000 0.874 492 R CB 1.508 31.735 30.300 -0.121 0.000 1.256 492 R HN -0.247 nan 8.270 nan 0.000 0.468 493 V N 3.263 123.073 119.914 -0.172 0.000 2.406 493 V HA 0.182 4.303 4.120 0.001 0.000 0.272 493 V C 1.320 177.274 176.094 -0.233 0.000 1.043 493 V CA -0.429 61.768 62.300 -0.173 0.000 0.915 493 V CB 1.127 32.885 31.823 -0.108 0.000 0.988 493 V HN 0.659 nan 8.190 nan 0.000 0.466 494 L N 2.708 123.713 121.223 -0.364 0.000 2.162 494 L HA 0.263 4.604 4.340 0.001 0.000 0.205 494 L C 0.741 177.339 176.870 -0.452 0.000 1.086 494 L CA 0.752 55.180 54.840 -0.686 0.000 0.778 494 L CB 0.163 41.353 42.059 -1.448 0.000 0.928 494 L HN 0.699 nan 8.230 nan 0.000 0.446 495 E N -0.141 119.933 120.200 -0.210 0.000 2.406 495 E HA 0.081 4.432 4.350 0.001 0.000 0.297 495 E C -1.225 175.417 176.600 0.069 0.000 0.917 495 E CA -0.342 56.039 56.400 -0.030 0.000 0.795 495 E CB 1.037 30.731 29.700 -0.010 0.000 1.285 495 E HN 0.155 nan 8.360 nan 0.000 0.400 496 D N 2.996 123.416 120.400 0.034 0.000 2.469 496 D HA 0.163 4.803 4.640 0.001 0.000 0.213 496 D C -0.214 176.094 176.300 0.014 0.000 1.135 496 D CA -0.229 53.783 54.000 0.020 0.000 0.834 496 D CB 0.010 40.802 40.800 -0.014 0.000 1.009 496 D HN 0.445 nan 8.370 nan 0.000 0.507 497 N N 0.367 119.091 118.700 0.039 0.000 2.714 497 N HA -0.219 4.521 4.740 0.001 0.000 0.250 497 N C 0.931 176.441 175.510 0.001 0.000 1.117 497 N CA 0.964 54.029 53.050 0.026 0.000 0.719 497 N CB -1.400 37.092 38.487 0.008 0.000 1.081 497 N HN 0.490 nan 8.380 nan 0.000 0.557 498 S N -1.216 114.486 115.700 0.003 0.000 2.419 498 S HA -0.028 4.443 4.470 0.001 0.000 0.233 498 S C 2.092 176.700 174.600 0.014 0.000 1.016 498 S CA 0.951 59.150 58.200 -0.001 0.000 0.974 498 S CB -0.089 63.111 63.200 -0.000 0.000 0.786 498 S HN 0.522 nan 8.310 nan 0.000 0.492 499 A N 2.371 125.209 122.820 0.030 0.000 1.845 499 A HA 0.029 4.350 4.320 0.001 0.000 0.215 499 A C 2.227 179.847 177.584 0.060 0.000 1.195 499 A CA 1.653 53.717 52.037 0.046 0.000 0.616 499 A CB -1.069 17.963 19.000 0.054 0.000 0.832 499 A HN 0.505 nan 8.150 nan 0.000 0.443 500 L N 0.602 121.863 121.223 0.063 0.000 2.012 500 L HA -0.213 4.127 4.340 0.001 0.000 0.210 500 L C 2.006 178.900 176.870 0.039 0.000 1.073 500 L CA 2.955 57.845 54.840 0.084 0.000 0.748 500 L CB -0.895 41.208 42.059 0.073 0.000 0.891 500 L HN 0.577 nan 8.230 nan 0.000 0.431 501 D N -0.813 119.580 120.400 -0.011 0.000 2.133 501 D HA -0.294 4.347 4.640 0.001 0.000 0.195 501 D C 2.259 178.555 176.300 -0.008 0.000 0.997 501 D CA 1.714 55.689 54.000 -0.041 0.000 0.840 501 D CB -0.147 40.620 40.800 -0.055 0.000 0.947 501 D HN 0.390 nan 8.370 nan 0.000 0.452 502 K N -0.589 119.822 120.400 0.018 0.000 2.057 502 K HA -0.142 4.179 4.320 0.001 0.000 0.207 502 K C 2.168 178.801 176.600 0.056 0.000 1.049 502 K CA 1.140 57.447 56.287 0.032 0.000 0.931 502 K CB -0.077 32.446 32.500 0.038 0.000 0.714 502 K HN 0.249 nan 8.250 nan 0.000 0.440 503 M N 0.691 120.347 119.600 0.092 0.000 2.132 503 M HA -0.125 4.356 4.480 0.001 0.000 0.263 503 M C 2.018 178.370 176.300 0.085 0.000 1.065 503 M CA 1.329 56.726 55.300 0.162 0.000 1.122 503 M CB -0.174 32.615 32.600 0.314 0.000 1.365 503 M HN 0.121 nan 8.290 nan 0.000 0.411 504 L N -0.046 121.169 121.223 -0.013 0.000 2.353 504 L HA -0.207 4.134 4.340 0.001 0.000 0.220 504 L C 2.303 179.138 176.870 -0.059 0.000 1.133 504 L CA 0.932 55.698 54.840 -0.123 0.000 0.798 504 L CB -0.715 41.270 42.059 -0.123 0.000 0.922 504 L HN 0.450 nan 8.230 nan 0.000 0.445 505 Q N 0.122 119.915 119.800 -0.012 0.000 2.170 505 Q HA -0.119 4.222 4.340 0.001 0.000 0.203 505 Q C 1.058 177.069 176.000 0.020 0.000 0.976 505 Q CA 1.001 56.805 55.803 0.002 0.000 0.858 505 Q CB -0.032 28.714 28.738 0.013 0.000 0.907 505 Q HN 0.594 nan 8.270 nan 0.000 0.433 506 N N 0.252 118.976 118.700 0.039 0.000 2.362 506 N HA 0.071 4.812 4.740 0.001 0.000 0.211 506 N C -0.732 174.818 175.510 0.067 0.000 1.170 506 N CA 0.255 53.343 53.050 0.062 0.000 0.828 506 N CB 0.976 39.517 38.487 0.089 0.000 1.034 506 N HN -0.042 nan 8.380 nan 0.000 0.475 507 V N 0.664 120.593 119.914 0.026 0.000 2.789 507 V HA 0.205 4.326 4.120 0.001 0.000 0.311 507 V C -0.067 176.032 176.094 0.008 0.000 1.073 507 V CA -0.910 61.404 62.300 0.024 0.000 0.921 507 V CB 2.731 34.516 31.823 -0.063 0.000 1.009 507 V HN 0.003 nan 8.190 nan 0.000 0.426 508 Q N 3.882 123.701 119.800 0.032 0.000 2.678 508 Q HA 0.365 4.706 4.340 0.001 0.000 0.222 508 Q C -0.531 175.443 176.000 -0.043 0.000 1.281 508 Q CA -0.281 55.515 55.803 -0.012 0.000 0.994 508 Q CB 0.508 29.263 28.738 0.028 0.000 1.452 508 Q HN 0.524 nan 8.270 nan 0.000 0.570 509 M N 3.599 123.155 119.600 -0.074 0.000 2.242 509 M HA 0.313 4.794 4.480 0.001 0.000 0.344 509 M C -1.918 174.310 176.300 -0.120 0.000 1.140 509 M CA -2.310 52.935 55.300 -0.092 0.000 1.160 509 M CB -0.033 32.517 32.600 -0.084 0.000 1.491 509 M HN 0.284 nan 8.290 nan 0.000 0.459 510 P HA 0.231 nan 4.420 nan 0.000 0.276 510 P C -0.770 176.443 177.300 -0.144 0.000 1.252 510 P CA -0.328 62.680 63.100 -0.154 0.000 0.802 510 P CB 0.687 32.286 31.700 -0.169 0.000 1.035 511 S N -0.367 115.236 115.700 -0.161 0.000 2.704 511 S HA 0.618 5.089 4.470 0.001 0.000 0.305 511 S C -0.537 173.966 174.600 -0.162 0.000 1.107 511 S CA -0.789 57.329 58.200 -0.137 0.000 0.993 511 S CB 1.773 64.892 63.200 -0.135 0.000 1.110 511 S HN 0.528 nan 8.310 nan 0.000 0.534 512 K N 0.558 120.885 120.400 -0.122 0.000 2.426 512 K HA 0.399 4.719 4.320 0.001 0.000 0.254 512 K C -1.292 175.247 176.600 -0.102 0.000 0.936 512 K CA -0.524 55.692 56.287 -0.118 0.000 0.801 512 K CB 1.368 33.817 32.500 -0.084 0.000 1.139 512 K HN 0.739 nan 8.250 nan 0.000 0.424 513 K N 5.168 125.493 120.400 -0.126 0.000 2.235 513 K HA 0.337 4.658 4.320 0.001 0.000 0.266 513 K C -1.545 175.006 176.600 -0.081 0.000 0.980 513 K CA -0.807 55.416 56.287 -0.108 0.000 0.849 513 K CB 0.994 33.400 32.500 -0.157 0.000 1.098 513 K HN 0.477 nan 8.250 nan 0.000 0.445 514 L N 3.924 125.123 121.223 -0.041 0.000 2.356 514 L HA 0.564 4.905 4.340 0.001 0.000 0.277 514 L C -1.191 175.693 176.870 0.023 0.000 0.996 514 L CA 0.126 54.972 54.840 0.011 0.000 0.822 514 L CB 1.589 43.713 42.059 0.108 0.000 1.256 514 L HN 0.903 nan 8.230 nan 0.000 0.413 515 D N 2.498 122.791 120.400 -0.178 0.000 3.145 515 D HA 0.482 5.123 4.640 0.001 0.000 0.345 515 D C -1.732 174.309 176.300 -0.430 0.000 1.391 515 D CA 0.053 53.887 54.000 -0.277 0.000 0.930 515 D CB 1.666 42.219 40.800 -0.411 0.000 1.451 515 D HN 0.273 nan 8.370 nan 0.000 0.555 516 F N 0.131 119.785 119.950 -0.493 0.000 2.645 516 F HA 0.703 5.231 4.527 0.001 0.000 0.310 516 F C -1.037 174.864 175.800 0.168 0.000 1.102 516 F CA -1.045 56.779 58.000 -0.294 0.000 0.952 516 F CB 0.907 39.272 39.000 -1.057 0.000 1.326 516 F HN 0.284 nan 8.300 nan 0.000 0.456 517 I N 0.251 121.092 120.570 0.451 0.000 2.892 517 I HA 0.717 4.888 4.170 0.001 0.000 0.306 517 I C -1.329 175.024 176.117 0.393 0.000 1.078 517 I CA -1.218 60.257 61.300 0.292 0.000 1.032 517 I CB 2.423 40.545 38.000 0.204 0.000 1.229 517 I HN 0.669 nan 8.210 nan 0.000 0.435 518 I N 3.780 124.511 120.570 0.267 0.000 2.577 518 I HA 0.491 4.662 4.170 0.001 0.000 0.305 518 I C -0.741 175.524 176.117 0.247 0.000 0.986 518 I CA -0.872 60.590 61.300 0.271 0.000 1.189 518 I CB 1.970 40.086 38.000 0.193 0.000 1.355 518 I HN 0.409 nan 8.210 nan 0.000 0.476 519 L N 4.973 126.379 121.223 0.305 0.000 2.555 519 L HA 0.313 4.654 4.340 0.001 0.000 0.264 519 L C -0.722 176.279 176.870 0.217 0.000 0.972 519 L CA -0.605 54.389 54.840 0.256 0.000 0.876 519 L CB 1.441 43.694 42.059 0.324 0.000 1.216 519 L HN 0.638 nan 8.230 nan 0.000 0.415 520 N N 2.922 121.690 118.700 0.114 0.000 2.696 520 N HA -0.207 4.534 4.740 0.001 0.000 0.256 520 N C 0.354 175.905 175.510 0.069 0.000 1.031 520 N CA 1.384 54.480 53.050 0.075 0.000 0.730 520 N CB -0.630 37.893 38.487 0.061 0.000 0.894 520 N HN 0.842 nan 8.380 nan 0.000 0.544 521 E N -3.297 116.939 120.200 0.061 0.000 3.370 521 E HA -0.277 4.074 4.350 0.001 0.000 0.291 521 E C -0.642 175.964 176.600 0.010 0.000 0.916 521 E CA 1.487 57.908 56.400 0.035 0.000 0.981 521 E CB -1.250 28.461 29.700 0.019 0.000 1.498 521 E HN 0.544 nan 8.360 nan 0.000 0.452 522 T N 0.839 115.408 114.554 0.025 0.000 2.841 522 T HA 0.372 4.723 4.350 0.001 0.000 0.283 522 T C -0.273 174.327 174.700 -0.168 0.000 1.000 522 T CA -0.962 61.067 62.100 -0.119 0.000 0.977 522 T CB 1.406 70.172 68.868 -0.170 0.000 0.979 522 T HN 0.103 nan 8.240 nan 0.000 0.446 523 K N 2.310 122.528 120.400 -0.304 0.000 2.156 523 K HA 0.653 4.973 4.320 0.001 0.000 0.271 523 K C -1.292 175.061 176.600 -0.411 0.000 0.995 523 K CA -0.642 55.514 56.287 -0.219 0.000 0.890 523 K CB 1.053 33.291 32.500 -0.437 0.000 1.073 523 K HN 0.385 nan 8.250 nan 0.000 0.454 524 F N 1.324 121.366 119.950 0.154 0.000 2.539 524 F HA 0.327 4.854 4.527 0.001 0.000 0.318 524 F C -0.756 175.194 175.800 0.250 0.000 1.135 524 F CA -0.807 57.300 58.000 0.178 0.000 0.915 524 F CB 1.201 40.306 39.000 0.175 0.000 1.176 524 F HN 0.519 nan 8.300 nan 0.000 0.440 525 W N 3.421 124.916 121.300 0.323 0.000 2.303 525 W HA 0.512 5.173 4.660 0.001 0.000 0.334 525 W C -0.564 176.212 176.519 0.428 0.000 1.197 525 W CA -0.513 57.038 57.345 0.344 0.000 1.262 525 W CB 0.496 30.065 29.460 0.182 0.000 1.153 525 W HN 0.453 nan 8.180 nan 0.000 0.596 526 Y N -0.739 119.926 120.300 0.608 0.000 2.655 526 Y HA 0.650 5.201 4.550 0.001 0.000 0.336 526 Y C -1.070 175.056 175.900 0.376 0.000 1.154 526 Y CA -1.887 56.548 58.100 0.559 0.000 1.055 526 Y CB 1.121 40.059 38.460 0.795 0.000 1.295 526 Y HN 0.557 nan 8.280 nan 0.000 0.465 527 Q N 1.888 121.923 119.800 0.392 0.000 2.421 527 Q HA 0.753 5.094 4.340 0.001 0.000 0.280 527 Q C -1.867 174.239 176.000 0.177 0.000 1.085 527 Q CA -1.169 54.733 55.803 0.165 0.000 0.807 527 Q CB 3.345 32.154 28.738 0.119 0.000 1.405 527 Q HN 0.853 nan 8.270 nan 0.000 0.419 528 M N 2.514 122.140 119.600 0.042 0.000 2.263 528 M HA 0.426 4.907 4.480 0.001 0.000 0.295 528 M C -1.254 174.967 176.300 -0.132 0.000 1.028 528 M CA -0.933 54.337 55.300 -0.050 0.000 0.921 528 M CB 2.129 34.659 32.600 -0.116 0.000 1.601 528 M HN 0.607 nan 8.290 nan 0.000 0.440 529 I N 5.264 125.757 120.570 -0.128 0.000 2.291 529 I HA 0.315 4.486 4.170 0.001 0.000 0.292 529 I C -0.277 175.690 176.117 -0.249 0.000 1.064 529 I CA -0.221 60.978 61.300 -0.168 0.000 1.269 529 I CB -0.013 37.909 38.000 -0.130 0.000 1.418 529 I HN 0.634 nan 8.210 nan 0.000 0.485 530 L N 8.401 129.420 121.223 -0.341 0.000 2.334 530 L HA 0.427 4.768 4.340 0.001 0.000 0.277 530 L C -2.121 174.553 176.870 -0.326 0.000 1.075 530 L CA -1.758 52.784 54.840 -0.496 0.000 0.804 530 L CB 0.814 42.379 42.059 -0.824 0.000 1.174 530 L HN 0.262 nan 8.230 nan 0.000 0.438 531 P HA 0.101 nan 4.420 nan 0.000 0.270 531 P C -2.495 174.745 177.300 -0.100 0.000 1.223 531 P CA -0.964 62.046 63.100 -0.150 0.000 0.785 531 P CB -0.141 31.502 31.700 -0.096 0.000 0.923 532 P HA -0.048 nan 4.420 nan 0.000 0.266 532 P C -0.332 176.878 177.300 -0.150 0.000 1.195 532 P CA 0.829 63.790 63.100 -0.232 0.000 0.768 532 P CB -0.219 31.334 31.700 -0.245 0.000 0.838 533 H N -0.647 118.454 119.070 0.051 0.000 2.770 533 H HA -0.207 4.350 4.556 0.001 0.000 0.309 533 H C 0.101 175.483 175.328 0.090 0.000 1.206 533 H CA -0.070 56.014 56.048 0.059 0.000 1.147 533 H CB -2.250 27.540 29.762 0.047 0.000 1.422 533 H HN 0.395 nan 8.280 nan 0.000 0.420 534 F N 2.568 122.498 119.950 -0.034 0.000 2.604 534 F HA 0.054 4.581 4.527 0.001 0.000 0.393 534 F C 0.640 176.449 175.800 0.015 0.000 1.043 534 F CA 0.138 58.075 58.000 -0.106 0.000 1.227 534 F CB 0.449 39.288 39.000 -0.267 0.000 1.016 534 F HN 0.199 nan 8.300 nan 0.000 0.556 535 D N 6.251 126.355 120.400 -0.493 0.000 2.453 535 D HA 0.126 4.767 4.640 0.001 0.000 0.238 535 D C 0.508 176.438 176.300 -0.616 0.000 1.088 535 D CA -0.601 53.163 54.000 -0.392 0.000 0.854 535 D CB 1.005 41.736 40.800 -0.115 0.000 1.076 535 D HN 0.688 nan 8.370 nan 0.000 0.533 536 K N 1.106 121.115 120.400 -0.653 0.000 2.574 536 K HA -0.077 4.244 4.320 0.001 0.000 0.193 536 K C 0.991 177.561 176.600 -0.050 0.000 1.035 536 K CA 0.782 56.854 56.287 -0.358 0.000 0.982 536 K CB -0.084 32.358 32.500 -0.097 0.000 0.795 536 K HN 0.183 nan 8.250 nan 0.000 0.491 537 S N -0.227 115.415 115.700 -0.096 0.000 2.548 537 S HA 0.118 4.589 4.470 0.001 0.000 0.215 537 S C 0.261 174.818 174.600 -0.071 0.000 0.976 537 S CA -0.536 57.635 58.200 -0.050 0.000 0.908 537 S CB 0.060 63.227 63.200 -0.056 0.000 0.781 537 S HN 0.208 nan 8.310 nan 0.000 0.519 538 K N 1.063 121.392 120.400 -0.118 0.000 2.139 538 K HA 0.472 4.793 4.320 0.001 0.000 0.243 538 K C -0.760 175.715 176.600 -0.208 0.000 0.983 538 K CA -0.922 55.224 56.287 -0.235 0.000 0.890 538 K CB 0.690 32.922 32.500 -0.447 0.000 1.090 538 K HN -0.066 nan 8.250 nan 0.000 0.445 539 K N 2.231 122.467 120.400 -0.274 0.000 2.263 539 K HA 0.277 4.598 4.320 0.001 0.000 0.272 539 K C -0.970 175.475 176.600 -0.258 0.000 1.033 539 K CA -0.315 55.883 56.287 -0.148 0.000 0.884 539 K CB 0.556 32.987 32.500 -0.116 0.000 1.107 539 K HN 0.461 nan 8.250 nan 0.000 0.460 540 Y N 3.239 123.567 120.300 0.047 0.000 2.387 540 Y HA 0.282 4.833 4.550 0.001 0.000 0.336 540 Y C -1.686 174.150 175.900 -0.107 0.000 1.067 540 Y CA -2.196 55.908 58.100 0.008 0.000 1.114 540 Y CB 1.139 39.676 38.460 0.129 0.000 1.208 540 Y HN 0.452 nan 8.280 nan 0.000 0.458 541 P HA 0.143 nan 4.420 nan 0.000 0.272 541 P C -1.119 176.025 177.300 -0.261 0.000 1.240 541 P CA -0.199 62.588 63.100 -0.522 0.000 0.791 541 P CB 1.615 32.575 31.700 -1.235 0.000 0.978 542 L N 1.668 122.779 121.223 -0.188 0.000 2.436 542 L HA 0.515 4.856 4.340 0.001 0.000 0.268 542 L C -1.452 175.611 176.870 0.321 0.000 0.974 542 L CA -1.144 53.750 54.840 0.090 0.000 0.826 542 L CB 1.857 43.971 42.059 0.091 0.000 1.291 542 L HN 0.144 nan 8.230 nan 0.000 0.406 543 L N 5.318 126.747 121.223 0.342 0.000 2.298 543 L HA 0.507 4.847 4.340 0.001 0.000 0.284 543 L C -1.227 175.878 176.870 0.391 0.000 1.013 543 L CA -0.314 54.778 54.840 0.420 0.000 0.824 543 L CB 1.539 43.802 42.059 0.340 0.000 1.221 543 L HN 0.650 nan 8.230 nan 0.000 0.418 544 L N 5.223 126.717 121.223 0.451 0.000 2.295 544 L HA 0.366 4.707 4.340 0.001 0.000 0.288 544 L C -0.450 176.653 176.870 0.389 0.000 1.079 544 L CA 0.201 55.290 54.840 0.415 0.000 0.830 544 L CB 0.404 42.736 42.059 0.456 0.000 1.200 544 L HN 0.606 nan 8.230 nan 0.000 0.438 545 D N 4.348 124.959 120.400 0.351 0.000 2.339 545 D HA 0.223 4.864 4.640 0.001 0.000 0.241 545 D C -0.912 175.470 176.300 0.137 0.000 1.183 545 D CA 0.159 54.292 54.000 0.221 0.000 0.859 545 D CB 1.129 42.120 40.800 0.319 0.000 1.067 545 D HN 0.323 nan 8.370 nan 0.000 0.484 546 V N 5.329 125.254 119.914 0.019 0.000 2.914 546 V HA 0.455 4.576 4.120 0.001 0.000 0.314 546 V C -0.980 175.188 176.094 0.122 0.000 1.084 546 V CA -0.463 61.905 62.300 0.114 0.000 0.963 546 V CB 1.934 33.832 31.823 0.124 0.000 1.025 546 V HN 0.649 nan 8.190 nan 0.000 0.432 547 Y N 4.794 125.160 120.300 0.109 0.000 3.105 547 Y HA 0.549 5.100 4.550 0.001 0.000 0.216 547 Y C 1.611 177.635 175.900 0.206 0.000 0.943 547 Y CA 1.281 59.470 58.100 0.148 0.000 1.535 547 Y CB 0.287 38.815 38.460 0.113 0.000 1.475 547 Y HN 1.108 nan 8.280 nan 0.000 0.435 548 A N 0.933 123.880 122.820 0.211 0.000 2.861 548 A HA -0.188 4.133 4.320 0.001 0.000 0.261 548 A C 0.962 178.408 177.584 -0.230 0.000 1.351 548 A CA 0.959 53.050 52.037 0.090 0.000 0.904 548 A CB -2.499 16.595 19.000 0.157 0.000 1.076 548 A HN 0.916 nan 8.150 nan 0.000 0.729 549 G N -0.443 108.018 108.800 -0.565 0.000 2.634 549 G HA2 0.478 4.439 3.960 0.001 0.000 0.255 549 G HA3 0.478 4.439 3.960 0.001 0.000 0.255 549 G C -1.806 172.809 174.900 -0.475 0.000 1.205 549 G CA -0.520 43.798 45.100 -1.305 0.000 0.884 549 G HN 0.434 nan 8.290 nan 0.000 0.549 550 P HA 0.040 nan 4.420 nan 0.000 0.267 550 P C 0.579 177.777 177.300 -0.171 0.000 1.205 550 P CA 0.206 63.071 63.100 -0.391 0.000 0.765 550 P CB 0.903 32.038 31.700 -0.943 0.000 0.828 551 C N 2.081 121.331 119.300 -0.083 0.000 4.417 551 C HA -0.144 4.317 4.460 0.001 0.000 0.284 551 C C 1.083 176.117 174.990 0.072 0.000 1.379 551 C CA 1.162 60.104 59.018 -0.126 0.000 1.918 551 C CB -2.638 24.878 27.740 -0.374 0.000 1.280 551 C HN 0.836 nan 8.230 nan 0.000 0.783 552 S N 0.013 115.803 115.700 0.151 0.000 2.645 552 S HA 0.603 5.074 4.470 0.001 0.000 0.266 552 S C -0.617 174.141 174.600 0.264 0.000 1.258 552 S CA 0.149 58.504 58.200 0.258 0.000 0.990 552 S CB 1.665 65.073 63.200 0.347 0.000 0.967 552 S HN 0.838 nan 8.310 nan 0.000 0.556 553 Q N -0.062 119.905 119.800 0.278 0.000 2.334 553 Q HA 0.338 4.679 4.340 0.001 0.000 0.249 553 Q C -0.898 175.216 176.000 0.191 0.000 0.909 553 Q CA -0.558 55.403 55.803 0.262 0.000 0.823 553 Q CB 1.024 29.966 28.738 0.340 0.000 1.353 553 Q HN 0.705 nan 8.270 nan 0.000 0.433 554 K N 1.052 121.565 120.400 0.189 0.000 2.374 554 K HA 0.347 4.667 4.320 0.001 0.000 0.202 554 K C -0.496 176.206 176.600 0.170 0.000 1.040 554 K CA 0.254 56.644 56.287 0.172 0.000 1.085 554 K CB 1.625 34.252 32.500 0.212 0.000 0.873 554 K HN 0.486 nan 8.250 nan 0.000 0.539 555 A N 2.678 125.606 122.820 0.181 0.000 2.328 555 A HA 0.442 4.763 4.320 0.001 0.000 0.318 555 A C -0.849 176.804 177.584 0.116 0.000 1.347 555 A CA -0.547 51.602 52.037 0.187 0.000 0.842 555 A CB 0.174 19.347 19.000 0.288 0.000 1.148 555 A HN 0.228 nan 8.150 nan 0.000 0.499 556 D N -0.127 120.313 120.400 0.066 0.000 2.752 556 D HA 0.422 5.063 4.640 0.001 0.000 0.313 556 D C 0.430 176.734 176.300 0.006 0.000 1.225 556 D CA 0.261 54.283 54.000 0.037 0.000 0.976 556 D CB 0.285 41.108 40.800 0.038 0.000 1.443 556 D HN 0.146 nan 8.370 nan 0.000 0.515 557 T N -2.327 112.246 114.554 0.031 0.000 3.163 557 T HA 0.302 4.653 4.350 0.001 0.000 0.252 557 T C 0.449 175.110 174.700 -0.065 0.000 1.056 557 T CA -0.380 61.733 62.100 0.021 0.000 0.947 557 T CB -0.675 68.249 68.868 0.094 0.000 1.016 557 T HN 0.265 nan 8.240 nan 0.000 0.554 558 V N 2.639 122.417 119.914 -0.226 0.000 2.555 558 V HA 0.321 4.442 4.120 0.001 0.000 0.286 558 V C 0.099 176.122 176.094 -0.118 0.000 1.044 558 V CA -1.025 61.101 62.300 -0.290 0.000 1.026 558 V CB 0.047 31.566 31.823 -0.508 0.000 0.981 558 V HN 0.559 nan 8.190 nan 0.000 0.480 559 F N 6.609 126.461 119.950 -0.163 0.000 2.427 559 F HA 0.561 5.089 4.527 0.001 0.000 0.352 559 F C 0.526 176.267 175.800 -0.098 0.000 1.100 559 F CA -0.091 57.839 58.000 -0.118 0.000 1.191 559 F CB 0.256 39.195 39.000 -0.102 0.000 1.128 559 F HN 0.439 nan 8.300 nan 0.000 0.533 560 R N 6.490 126.468 120.500 -0.870 0.000 2.698 560 R HA 0.531 4.872 4.340 0.001 0.000 0.275 560 R C -1.728 174.163 176.300 -0.683 0.000 1.001 560 R CA -1.086 54.687 56.100 -0.545 0.000 0.896 560 R CB 2.125 32.263 30.300 -0.270 0.000 1.218 560 R HN 0.658 nan 8.270 nan 0.000 0.462 561 L N 3.899 124.922 121.223 -0.334 0.000 2.324 561 L HA 0.414 4.755 4.340 0.001 0.000 0.274 561 L C -0.685 176.170 176.870 -0.024 0.000 1.012 561 L CA -0.658 54.033 54.840 -0.247 0.000 0.859 561 L CB 0.646 42.703 42.059 -0.003 0.000 1.224 561 L HN 0.755 nan 8.230 nan 0.000 0.429 562 N N 0.180 118.786 118.700 -0.157 0.000 3.387 562 N HA 0.171 4.912 4.740 0.001 0.000 0.322 562 N C 0.212 175.401 175.510 -0.536 0.000 1.588 562 N CA -0.906 51.933 53.050 -0.352 0.000 0.778 562 N CB 0.171 38.584 38.487 -0.124 0.000 1.883 562 N HN 0.287 nan 8.380 nan 0.000 0.628 563 W N 0.722 121.449 121.300 -0.955 0.000 2.321 563 W HA 0.044 4.705 4.660 0.001 0.000 0.306 563 W C 2.102 178.590 176.519 -0.053 0.000 1.217 563 W CA 3.126 60.169 57.345 -0.502 0.000 1.257 563 W CB -1.052 28.270 29.460 -0.230 0.000 1.145 563 W HN 0.710 nan 8.180 nan 0.000 0.509 564 A N -0.581 122.251 122.820 0.020 0.000 1.940 564 A HA -0.232 4.089 4.320 0.001 0.000 0.219 564 A C 1.947 179.444 177.584 -0.147 0.000 1.176 564 A CA 2.597 54.572 52.037 -0.103 0.000 0.631 564 A CB -1.338 17.678 19.000 0.026 0.000 0.814 564 A HN 0.316 nan 8.150 nan 0.000 0.446 565 T N -1.204 113.276 114.554 -0.123 0.000 2.684 565 T HA -0.223 4.128 4.350 0.001 0.000 0.267 565 T C 1.803 176.527 174.700 0.039 0.000 1.036 565 T CA 1.839 63.841 62.100 -0.163 0.000 1.148 565 T CB -0.484 68.126 68.868 -0.428 0.000 0.863 565 T HN 0.722 nan 8.240 nan 0.000 0.436 566 Y N 1.870 122.248 120.300 0.130 0.000 2.200 566 Y HA 0.021 4.572 4.550 0.001 0.000 0.290 566 Y C 1.970 177.857 175.900 -0.022 0.000 1.137 566 Y CA 0.839 59.049 58.100 0.182 0.000 1.163 566 Y CB -0.739 37.823 38.460 0.171 0.000 0.988 566 Y HN 0.111 nan 8.280 nan 0.000 0.518 567 L N 0.302 121.091 121.223 -0.722 0.000 2.042 567 L HA -0.241 4.100 4.340 0.001 0.000 0.210 567 L C 2.782 179.386 176.870 -0.443 0.000 1.076 567 L CA 1.481 55.822 54.840 -0.831 0.000 0.749 567 L CB -0.922 40.708 42.059 -0.715 0.000 0.893 567 L HN 0.450 nan 8.230 nan 0.000 0.432 568 A N -1.634 121.017 122.820 -0.281 0.000 1.935 568 A HA -0.134 4.187 4.320 0.001 0.000 0.214 568 A C 2.483 179.992 177.584 -0.126 0.000 1.178 568 A CA 1.505 53.434 52.037 -0.180 0.000 0.640 568 A CB -0.347 18.549 19.000 -0.173 0.000 0.825 568 A HN 0.332 nan 8.150 nan 0.000 0.447 569 S N -1.152 114.490 115.700 -0.096 0.000 2.377 569 S HA -0.082 4.389 4.470 0.001 0.000 0.223 569 S C 1.947 176.557 174.600 0.015 0.000 1.030 569 S CA 2.091 60.283 58.200 -0.012 0.000 0.970 569 S CB -0.268 62.980 63.200 0.081 0.000 0.830 569 S HN 0.553 nan 8.310 nan 0.000 0.473 570 T N 1.279 115.817 114.554 -0.027 0.000 3.004 570 T HA 0.179 4.530 4.350 0.001 0.000 0.243 570 T C 1.291 175.963 174.700 -0.046 0.000 1.020 570 T CA 0.487 62.594 62.100 0.012 0.000 1.145 570 T CB -0.099 68.850 68.868 0.135 0.000 0.876 570 T HN 0.292 nan 8.240 nan 0.000 0.449 571 E N 1.428 121.512 120.200 -0.193 0.000 2.479 571 E HA 0.143 4.494 4.350 0.001 0.000 0.193 571 E C -0.060 176.527 176.600 -0.022 0.000 1.049 571 E CA -0.068 56.266 56.400 -0.110 0.000 0.870 571 E CB -0.424 29.154 29.700 -0.202 0.000 0.944 571 E HN 0.520 nan 8.360 nan 0.000 0.492 572 N N 0.590 119.283 118.700 -0.011 0.000 2.727 572 N HA -0.207 4.534 4.740 0.001 0.000 0.249 572 N C -0.799 174.785 175.510 0.124 0.000 1.048 572 N CA 0.354 53.459 53.050 0.091 0.000 0.714 572 N CB -1.375 37.229 38.487 0.196 0.000 0.959 572 N HN 0.231 nan 8.380 nan 0.000 0.544 573 I N 0.675 121.252 120.570 0.011 0.000 2.392 573 I HA 0.331 4.501 4.170 0.001 0.000 0.295 573 I C 0.599 176.701 176.117 -0.025 0.000 0.985 573 I CA -0.751 60.569 61.300 0.034 0.000 1.221 573 I CB 1.216 39.248 38.000 0.055 0.000 1.366 573 I HN 0.046 nan 8.210 nan 0.000 0.467 574 I N 6.461 127.032 120.570 0.000 0.000 2.352 574 I HA 0.177 4.348 4.170 0.001 0.000 0.290 574 I C -0.482 175.636 176.117 0.001 0.000 1.036 574 I CA -0.469 60.796 61.300 -0.059 0.000 1.336 574 I CB 1.003 38.980 38.000 -0.038 0.000 1.407 574 I HN 0.186 nan 8.210 nan 0.000 0.497 575 V N 6.839 126.738 119.914 -0.025 0.000 2.328 575 V HA 0.581 4.702 4.120 0.001 0.000 0.278 575 V C 0.422 176.557 176.094 0.067 0.000 1.021 575 V CA -0.428 61.907 62.300 0.058 0.000 0.838 575 V CB 1.065 32.917 31.823 0.049 0.000 0.999 575 V HN 0.836 nan 8.190 nan 0.000 0.447 576 A N 4.130 127.023 122.820 0.122 0.000 2.330 576 A HA 0.951 5.272 4.320 0.001 0.000 0.329 576 A C -0.116 177.629 177.584 0.268 0.000 1.135 576 A CA -0.508 51.606 52.037 0.129 0.000 0.817 576 A CB 1.608 20.585 19.000 -0.039 0.000 1.269 576 A HN 0.697 nan 8.150 nan 0.000 0.469 577 S N -0.337 115.565 115.700 0.337 0.000 2.546 577 S HA 0.729 5.199 4.470 0.001 0.000 0.274 577 S C -1.487 173.457 174.600 0.573 0.000 1.121 577 S CA -0.311 58.124 58.200 0.392 0.000 0.887 577 S CB 1.340 64.713 63.200 0.288 0.000 1.094 577 S HN 0.805 nan 8.310 nan 0.000 0.474 578 F N 1.787 121.962 119.950 0.375 0.000 2.569 578 F HA 0.496 5.024 4.527 0.001 0.000 0.312 578 F C -1.613 174.387 175.800 0.334 0.000 1.109 578 F CA -0.731 57.519 58.000 0.416 0.000 0.919 578 F CB 1.528 40.757 39.000 0.381 0.000 1.211 578 F HN 0.400 nan 8.300 nan 0.000 0.446 579 D N 4.520 124.701 120.400 -0.364 0.000 2.454 579 D HA 0.386 5.027 4.640 0.001 0.000 0.225 579 D C 0.315 176.296 176.300 -0.531 0.000 1.081 579 D CA 0.117 53.978 54.000 -0.231 0.000 0.864 579 D CB 1.512 42.349 40.800 0.062 0.000 1.040 579 D HN 0.776 nan 8.370 nan 0.000 0.517 580 G N 1.267 109.825 108.800 -0.403 0.000 2.782 580 G HA2 0.299 4.259 3.960 0.001 0.000 0.201 580 G HA3 0.299 4.259 3.960 0.001 0.000 0.201 580 G C 0.103 174.975 174.900 -0.047 0.000 1.374 580 G CA -0.730 44.143 45.100 -0.379 0.000 1.039 580 G HN 0.286 nan 8.290 nan 0.000 0.576 581 R N -0.589 119.849 120.500 -0.103 0.000 2.585 581 R HA 0.358 4.699 4.340 0.001 0.000 0.275 581 R C 1.234 177.619 176.300 0.142 0.000 1.018 581 R CA 1.545 57.717 56.100 0.119 0.000 1.072 581 R CB 0.426 30.774 30.300 0.080 0.000 0.953 581 R HN 1.053 nan 8.270 nan 0.000 0.419 582 G N 1.244 110.132 108.800 0.146 0.000 2.254 582 G HA2 -0.326 3.635 3.960 0.001 0.000 0.225 582 G HA3 -0.326 3.635 3.960 0.001 0.000 0.225 582 G C 0.150 175.085 174.900 0.059 0.000 1.003 582 G CA 0.087 45.251 45.100 0.107 0.000 0.622 582 G HN 0.730 nan 8.290 nan 0.000 0.507 583 S N 0.540 116.287 115.700 0.078 0.000 2.589 583 S HA 0.611 5.082 4.470 0.001 0.000 0.265 583 S C 0.907 175.504 174.600 -0.005 0.000 1.342 583 S CA 0.594 58.834 58.200 0.067 0.000 1.005 583 S CB 1.655 64.924 63.200 0.115 0.000 0.909 583 S HN 1.701 nan 8.310 nan 0.000 0.555 584 G N -0.777 107.983 108.800 -0.067 0.000 2.613 584 G HA2 0.499 4.459 3.960 0.001 0.000 0.303 584 G HA3 0.499 4.459 3.960 0.001 0.000 0.303 584 G C -0.896 173.837 174.900 -0.278 0.000 1.312 584 G CA -1.004 43.879 45.100 -0.361 0.000 1.036 584 G HN 0.956 nan 8.290 nan 0.000 0.513 585 Y N -2.401 117.893 120.300 -0.009 0.000 4.798 585 Y HA -0.225 4.325 4.550 0.001 0.000 0.237 585 Y C 1.488 177.381 175.900 -0.011 0.000 1.017 585 Y CA 1.159 59.257 58.100 -0.004 0.000 2.010 585 Y CB -2.101 36.378 38.460 0.031 0.000 1.582 585 Y HN 0.531 nan 8.280 nan 0.000 0.621 586 Q N 0.022 119.811 119.800 -0.019 0.000 2.112 586 Q HA 0.508 4.849 4.340 0.001 0.000 0.222 586 Q C 0.976 176.801 176.000 -0.292 0.000 0.798 586 Q CA 0.236 56.027 55.803 -0.020 0.000 1.060 586 Q CB 1.652 30.395 28.738 0.008 0.000 1.184 586 Q HN 0.569 nan 8.270 nan 0.000 0.475 587 G N 0.770 109.273 108.800 -0.496 0.000 2.663 587 G HA2 -0.180 3.780 3.960 0.001 0.000 0.686 587 G HA3 -0.180 3.780 3.960 0.001 0.000 0.686 587 G C -0.488 174.021 174.900 -0.653 0.000 1.246 587 G CA -0.536 44.011 45.100 -0.923 0.000 0.795 587 G HN 0.097 nan 8.290 nan 0.000 0.627 588 D N 0.147 120.129 120.400 -0.697 0.000 2.178 588 D HA -0.073 4.567 4.640 0.001 0.000 0.201 588 D C 2.274 178.298 176.300 -0.460 0.000 0.980 588 D CA 1.512 55.061 54.000 -0.752 0.000 0.842 588 D CB 0.032 40.347 40.800 -0.809 0.000 0.948 588 D HN 0.539 nan 8.370 nan 0.000 0.472 589 K N 0.925 121.119 120.400 -0.343 0.000 2.103 589 K HA -0.091 4.230 4.320 0.001 0.000 0.207 589 K C 1.870 178.407 176.600 -0.105 0.000 1.048 589 K CA 1.016 57.197 56.287 -0.176 0.000 0.930 589 K CB -0.318 32.092 32.500 -0.150 0.000 0.716 589 K HN 0.167 nan 8.250 nan 0.000 0.444 590 I N -0.505 119.982 120.570 -0.138 0.000 2.385 590 I HA -0.082 4.089 4.170 0.001 0.000 0.244 590 I C 2.509 178.626 176.117 -0.000 0.000 1.089 590 I CA 0.835 62.129 61.300 -0.010 0.000 1.410 590 I CB -0.146 37.851 38.000 -0.005 0.000 1.117 590 I HN 0.230 nan 8.210 nan 0.000 0.429 591 M N 0.146 119.670 119.600 -0.126 0.000 2.159 591 M HA -0.246 4.235 4.480 0.001 0.000 0.263 591 M C 1.861 178.201 176.300 0.067 0.000 1.063 591 M CA 2.024 57.276 55.300 -0.080 0.000 1.110 591 M CB -0.305 32.149 32.600 -0.243 0.000 1.374 591 M HN 0.278 nan 8.290 nan 0.000 0.411 592 H N -0.893 118.079 119.070 -0.162 0.000 2.539 592 H HA 0.181 4.738 4.556 0.001 0.000 0.267 592 H C 1.864 177.214 175.328 0.036 0.000 0.982 592 H CA 0.124 56.081 56.048 -0.151 0.000 1.146 592 H CB 0.191 29.769 29.762 -0.306 0.000 1.382 592 H HN 0.527 nan 8.280 nan 0.000 0.577 593 A N 1.559 124.494 122.820 0.193 0.000 2.024 593 A HA -0.143 4.178 4.320 0.001 0.000 0.220 593 A C 2.030 179.832 177.584 0.363 0.000 1.164 593 A CA 1.172 53.359 52.037 0.250 0.000 0.643 593 A CB -0.686 18.438 19.000 0.207 0.000 0.806 593 A HN 0.587 nan 8.150 nan 0.000 0.451 594 I N -3.246 117.493 120.570 0.282 0.000 3.904 594 I HA 0.171 4.342 4.170 0.001 0.000 0.333 594 I C 0.362 176.551 176.117 0.121 0.000 1.361 594 I CA -0.533 60.870 61.300 0.172 0.000 1.116 594 I CB -0.446 37.629 38.000 0.126 0.000 1.028 594 I HN 0.186 nan 8.210 nan 0.000 0.398 595 N N 3.153 121.972 118.700 0.199 0.000 2.411 595 N HA -0.063 4.678 4.740 0.001 0.000 0.261 595 N C 0.245 175.780 175.510 0.042 0.000 1.248 595 N CA 0.386 53.557 53.050 0.203 0.000 0.885 595 N CB 0.380 38.952 38.487 0.141 0.000 1.062 595 N HN 0.439 nan 8.380 nan 0.000 0.471 596 R N 0.729 121.237 120.500 0.013 0.000 4.016 596 R HA -0.192 4.149 4.340 0.001 0.000 0.385 596 R C -0.252 175.936 176.300 -0.188 0.000 1.158 596 R CA 0.883 56.952 56.100 -0.052 0.000 1.117 596 R CB -0.931 29.352 30.300 -0.029 0.000 1.635 596 R HN 0.566 nan 8.270 nan 0.000 0.560 597 R N 0.700 121.063 120.500 -0.227 0.000 2.688 597 R HA 0.356 4.697 4.340 0.001 0.000 0.396 597 R C -0.382 175.847 176.300 -0.119 0.000 1.081 597 R CA -0.188 55.615 56.100 -0.494 0.000 1.093 597 R CB 0.553 30.553 30.300 -0.500 0.000 1.338 597 R HN 0.076 nan 8.270 nan 0.000 0.613 598 L N -0.422 120.850 121.223 0.081 0.000 2.483 598 L HA 0.204 4.545 4.340 0.001 0.000 0.275 598 L C 1.308 178.422 176.870 0.407 0.000 1.220 598 L CA 0.940 55.859 54.840 0.131 0.000 0.833 598 L CB 0.479 42.383 42.059 -0.258 0.000 1.102 598 L HN 0.686 nan 8.230 nan 0.000 0.490 599 G N 0.761 109.839 108.800 0.463 0.000 2.143 599 G HA2 -0.297 3.664 3.960 0.001 0.000 0.248 599 G HA3 -0.297 3.664 3.960 0.001 0.000 0.248 599 G C 0.473 175.474 174.900 0.168 0.000 0.991 599 G CA 0.626 45.952 45.100 0.378 0.000 0.689 599 G HN 0.850 nan 8.290 nan 0.000 0.522 600 T N -3.559 111.045 114.554 0.083 0.000 3.330 600 T HA 0.477 4.828 4.350 0.001 0.000 0.185 600 T C 1.670 176.373 174.700 0.006 0.000 0.874 600 T CA 0.933 62.989 62.100 -0.074 0.000 1.268 600 T CB -0.061 68.564 68.868 -0.404 0.000 1.866 600 T HN 0.134 nan 8.240 nan 0.000 0.395 601 F N 3.507 123.492 119.950 0.057 0.000 2.126 601 F HA 0.056 4.584 4.527 0.001 0.000 0.299 601 F C 2.818 178.644 175.800 0.043 0.000 1.096 601 F CA 1.270 59.292 58.000 0.037 0.000 1.255 601 F CB -0.815 38.202 39.000 0.029 0.000 0.997 601 F HN 0.518 nan 8.300 nan 0.000 0.479 602 E N 0.831 121.185 120.200 0.256 0.000 2.204 602 E HA -0.127 4.224 4.350 0.001 0.000 0.195 602 E C 2.061 178.764 176.600 0.172 0.000 0.990 602 E CA 1.420 57.938 56.400 0.196 0.000 0.821 602 E CB -1.012 28.801 29.700 0.188 0.000 0.750 602 E HN 0.303 nan 8.360 nan 0.000 0.477 603 V N 1.520 121.518 119.914 0.140 0.000 2.302 603 V HA -0.183 3.938 4.120 0.001 0.000 0.243 603 V C 2.352 178.486 176.094 0.067 0.000 1.036 603 V CA 1.950 64.289 62.300 0.065 0.000 1.020 603 V CB -0.599 31.221 31.823 -0.005 0.000 0.657 603 V HN 0.180 nan 8.190 nan 0.000 0.453 604 E N 0.341 120.597 120.200 0.093 0.000 2.070 604 E HA -0.266 4.085 4.350 0.001 0.000 0.197 604 E C 1.931 178.565 176.600 0.056 0.000 1.004 604 E CA 1.698 58.148 56.400 0.084 0.000 0.805 604 E CB -0.220 29.566 29.700 0.144 0.000 0.744 604 E HN 0.567 nan 8.360 nan 0.000 0.451 605 D N 0.171 120.619 120.400 0.081 0.000 2.178 605 D HA -0.138 4.502 4.640 0.001 0.000 0.201 605 D C 1.973 178.299 176.300 0.043 0.000 0.980 605 D CA 0.745 54.777 54.000 0.053 0.000 0.842 605 D CB -0.106 40.750 40.800 0.093 0.000 0.948 605 D HN 0.117 nan 8.370 nan 0.000 0.472 606 Q N 0.134 120.007 119.800 0.121 0.000 2.079 606 Q HA -0.039 4.302 4.340 0.001 0.000 0.200 606 Q C 2.586 178.617 176.000 0.053 0.000 0.974 606 Q CA 0.564 56.441 55.803 0.123 0.000 0.840 606 Q CB -0.227 28.596 28.738 0.142 0.000 0.898 606 Q HN 0.417 nan 8.270 nan 0.000 0.430 607 I N 0.922 121.539 120.570 0.080 0.000 2.226 607 I HA -0.244 3.927 4.170 0.001 0.000 0.245 607 I C 2.430 178.515 176.117 -0.053 0.000 1.100 607 I CA 0.991 62.378 61.300 0.144 0.000 1.374 607 I CB -0.229 37.843 38.000 0.121 0.000 1.057 607 I HN 0.130 nan 8.210 nan 0.000 0.413 608 E N 1.060 121.173 120.200 -0.146 0.000 2.058 608 E HA -0.231 4.119 4.350 0.001 0.000 0.194 608 E C 2.315 178.618 176.600 -0.494 0.000 0.997 608 E CA 1.647 57.890 56.400 -0.262 0.000 0.801 608 E CB -0.220 29.338 29.700 -0.236 0.000 0.746 608 E HN 0.486 nan 8.360 nan 0.000 0.450 609 A N 1.206 123.575 122.820 -0.750 0.000 1.883 609 A HA -0.148 4.173 4.320 0.001 0.000 0.217 609 A C 2.439 179.269 177.584 -1.258 0.000 1.186 609 A CA 2.499 53.744 52.037 -1.320 0.000 0.624 609 A CB -0.775 17.225 19.000 -1.667 0.000 0.822 609 A HN 0.306 nan 8.150 nan 0.000 0.444 610 A N -0.551 121.942 122.820 -0.545 0.000 1.902 610 A HA -0.188 4.133 4.320 0.001 0.000 0.217 610 A C 2.248 179.637 177.584 -0.325 0.000 1.181 610 A CA 1.821 53.718 52.037 -0.235 0.000 0.623 610 A CB -0.540 18.445 19.000 -0.025 0.000 0.818 610 A HN 0.561 nan 8.150 nan 0.000 0.443 611 R N -0.527 119.771 120.500 -0.337 0.000 2.096 611 R HA -0.210 4.131 4.340 0.001 0.000 0.240 611 R C 2.406 178.533 176.300 -0.289 0.000 1.139 611 R CA 2.069 58.003 56.100 -0.276 0.000 0.952 611 R CB -0.319 29.845 30.300 -0.226 0.000 0.854 611 R HN 0.699 nan 8.270 nan 0.000 0.436 612 Q N -0.954 118.597 119.800 -0.414 0.000 2.167 612 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 612 Q C 1.873 177.716 176.000 -0.262 0.000 0.970 612 Q CA 1.224 56.804 55.803 -0.372 0.000 0.855 612 Q CB 0.007 28.463 28.738 -0.470 0.000 0.911 612 Q HN 0.317 nan 8.270 nan 0.000 0.438 613 F N 0.355 120.140 119.950 -0.275 0.000 2.259 613 F HA -0.124 4.404 4.527 0.001 0.000 0.298 613 F C 2.706 178.342 175.800 -0.275 0.000 1.088 613 F CA 1.177 59.006 58.000 -0.284 0.000 1.358 613 F CB -1.073 37.790 39.000 -0.229 0.000 1.040 613 F HN 0.064 nan 8.300 nan 0.000 0.505 614 S N -0.076 115.586 115.700 -0.062 0.000 2.447 614 S HA -0.148 4.323 4.470 0.001 0.000 0.233 614 S C 1.727 176.243 174.600 -0.139 0.000 1.006 614 S CA 0.827 58.957 58.200 -0.116 0.000 0.957 614 S CB -0.502 62.609 63.200 -0.148 0.000 0.773 614 S HN 0.407 nan 8.310 nan 0.000 0.507 615 K N 0.119 120.433 120.400 -0.143 0.000 2.418 615 K HA 0.255 4.576 4.320 0.001 0.000 0.195 615 K C 0.346 176.853 176.600 -0.155 0.000 1.035 615 K CA 0.119 56.326 56.287 -0.134 0.000 1.003 615 K CB -0.111 32.318 32.500 -0.119 0.000 0.793 615 K HN 0.475 nan 8.250 nan 0.000 0.494 616 M N -0.072 119.391 119.600 -0.227 0.000 2.243 616 M HA 0.029 4.510 4.480 0.001 0.000 0.341 616 M C 1.581 177.665 176.300 -0.360 0.000 1.130 616 M CA -0.000 55.093 55.300 -0.345 0.000 1.162 616 M CB 0.927 33.142 32.600 -0.642 0.000 1.497 616 M HN 0.143 nan 8.290 nan 0.000 0.456 617 G N 1.849 110.516 108.800 -0.222 0.000 2.462 617 G HA2 -0.192 3.769 3.960 0.001 0.000 0.220 617 G HA3 -0.192 3.769 3.960 0.001 0.000 0.220 617 G C 0.801 175.693 174.900 -0.014 0.000 1.121 617 G CA 0.696 45.750 45.100 -0.077 0.000 0.758 617 G HN 0.805 nan 8.290 nan 0.000 0.559 618 F N -0.254 119.761 119.950 0.108 0.000 2.732 618 F HA 0.603 5.130 4.527 0.001 0.000 0.303 618 F C -0.105 175.823 175.800 0.213 0.000 1.110 618 F CA -1.258 56.851 58.000 0.182 0.000 1.355 618 F CB -0.163 39.043 39.000 0.345 0.000 1.081 618 F HN -0.179 nan 8.300 nan 0.000 0.565 619 V N 1.623 121.503 119.914 -0.057 0.000 2.417 619 V HA 0.185 4.306 4.120 0.001 0.000 0.291 619 V C -0.679 175.384 176.094 -0.052 0.000 1.024 619 V CA -0.853 61.438 62.300 -0.016 0.000 0.861 619 V CB 1.523 33.273 31.823 -0.122 0.000 0.985 619 V HN 0.076 nan 8.190 nan 0.000 0.436 620 D N 3.978 124.347 120.400 -0.051 0.000 2.402 620 D HA 0.042 4.683 4.640 0.001 0.000 0.235 620 D C 1.189 177.431 176.300 -0.097 0.000 1.226 620 D CA -0.327 53.620 54.000 -0.088 0.000 0.918 620 D CB 0.542 41.269 40.800 -0.121 0.000 1.043 620 D HN 0.656 nan 8.370 nan 0.000 0.506 621 N N 3.112 121.757 118.700 -0.091 0.000 2.635 621 N HA -0.173 4.567 4.740 0.001 0.000 0.191 621 N C 0.676 176.135 175.510 -0.084 0.000 1.155 621 N CA 0.860 53.851 53.050 -0.099 0.000 0.927 621 N CB -0.065 38.360 38.487 -0.104 0.000 0.976 621 N HN 0.369 nan 8.380 nan 0.000 0.448 622 K N -0.456 119.901 120.400 -0.070 0.000 2.352 622 K HA 0.184 4.505 4.320 0.001 0.000 0.194 622 K C 0.143 176.734 176.600 -0.015 0.000 1.038 622 K CA 0.149 56.411 56.287 -0.041 0.000 1.023 622 K CB 0.509 32.988 32.500 -0.035 0.000 0.840 622 K HN 0.154 nan 8.250 nan 0.000 0.519 623 R N 1.423 121.884 120.500 -0.065 0.000 2.724 623 R HA 0.379 4.720 4.340 0.001 0.000 0.284 623 R C -0.939 175.318 176.300 -0.073 0.000 1.481 623 R CA -0.116 55.935 56.100 -0.083 0.000 1.652 623 R CB 0.553 30.628 30.300 -0.374 0.000 1.175 623 R HN -0.005 nan 8.270 nan 0.000 0.613 624 I N 1.183 121.839 120.570 0.142 0.000 2.436 624 I HA 0.542 4.713 4.170 0.001 0.000 0.289 624 I C -0.143 176.251 176.117 0.460 0.000 1.010 624 I CA -0.756 60.667 61.300 0.206 0.000 1.098 624 I CB 2.003 39.975 38.000 -0.047 0.000 1.266 624 I HN 0.356 nan 8.210 nan 0.000 0.434 625 A N 6.900 130.097 122.820 0.629 0.000 2.387 625 A HA 0.935 5.256 4.320 0.001 0.000 0.298 625 A C -1.195 176.752 177.584 0.606 0.000 1.165 625 A CA -0.655 51.742 52.037 0.599 0.000 0.814 625 A CB 2.121 21.359 19.000 0.398 0.000 1.357 625 A HN 0.727 nan 8.150 nan 0.000 0.443 626 I N 0.219 121.052 120.570 0.438 0.000 2.722 626 I HA 0.722 4.893 4.170 0.001 0.000 0.295 626 I C -1.976 174.389 176.117 0.414 0.000 1.161 626 I CA -0.577 60.909 61.300 0.309 0.000 1.032 626 I CB 1.740 39.644 38.000 -0.160 0.000 1.244 626 I HN 0.936 nan 8.210 nan 0.000 0.421 627 W N 6.959 128.384 121.300 0.209 0.000 3.213 627 W HA 0.833 5.493 4.660 0.001 0.000 0.318 627 W C -1.556 175.111 176.519 0.247 0.000 1.248 627 W CA -0.978 56.504 57.345 0.229 0.000 1.187 627 W CB 1.067 30.721 29.460 0.323 0.000 1.403 627 W HN 0.829 nan 8.180 nan 0.000 0.556 628 G N 1.203 109.943 108.800 -0.101 0.000 2.646 628 G HA2 0.531 4.491 3.960 0.001 0.000 0.291 628 G HA3 0.531 4.491 3.960 0.001 0.000 0.291 628 G C -2.791 172.059 174.900 -0.083 0.000 1.445 628 G CA -0.682 44.229 45.100 -0.315 0.000 0.814 628 G HN 0.602 nan 8.290 nan 0.000 0.495 629 W N 0.917 122.092 121.300 -0.208 0.000 2.819 629 W HA 0.605 5.266 4.660 0.001 0.000 0.337 629 W C 0.733 177.282 176.519 0.049 0.000 1.077 629 W CA 0.299 57.609 57.345 -0.057 0.000 1.226 629 W CB 1.909 31.340 29.460 -0.048 0.000 1.419 629 W HN 1.231 nan 8.180 nan 0.000 0.502 630 S N 2.595 118.555 115.700 0.433 0.000 4.116 630 S HA -0.428 4.043 4.470 0.001 0.000 0.623 630 S C 1.093 175.793 174.600 0.166 0.000 1.933 630 S CA 1.772 60.238 58.200 0.443 0.000 4.224 630 S CB -1.836 61.795 63.200 0.718 0.000 0.208 630 S HN 0.751 nan 8.310 nan 0.000 0.527 631 Y N 2.452 122.724 120.300 -0.046 0.000 2.207 631 Y HA 0.045 4.595 4.550 0.001 0.000 0.287 631 Y C 2.408 178.167 175.900 -0.234 0.000 1.156 631 Y CA 2.623 60.564 58.100 -0.266 0.000 1.182 631 Y CB -1.079 36.979 38.460 -0.670 0.000 0.979 631 Y HN 0.543 nan 8.280 nan 0.000 0.521 632 G N -0.985 107.754 108.800 -0.102 0.000 2.432 632 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 632 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 632 G C 1.913 176.828 174.900 0.026 0.000 1.135 632 G CA 0.751 45.852 45.100 0.002 0.000 0.767 632 G HN 0.582 nan 8.290 nan 0.000 0.550 633 G N -0.195 108.632 108.800 0.044 0.000 2.408 633 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 633 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 633 G C 1.576 176.498 174.900 0.038 0.000 1.150 633 G CA 1.064 46.184 45.100 0.033 0.000 0.776 633 G HN 0.417 nan 8.290 nan 0.000 0.542 634 Y N 1.414 121.612 120.300 -0.171 0.000 2.089 634 Y HA -0.136 4.414 4.550 0.001 0.000 0.282 634 Y C 2.796 178.606 175.900 -0.149 0.000 1.139 634 Y CA 1.697 59.648 58.100 -0.249 0.000 1.123 634 Y CB -0.596 37.554 38.460 -0.515 0.000 0.980 634 Y HN 0.020 nan 8.280 nan 0.000 0.493 635 V N -0.150 119.654 119.914 -0.183 0.000 2.332 635 V HA -0.352 3.769 4.120 0.001 0.000 0.248 635 V C 2.348 178.332 176.094 -0.184 0.000 1.055 635 V CA 2.490 64.667 62.300 -0.204 0.000 1.038 635 V CB -1.203 30.650 31.823 0.051 0.000 0.651 635 V HN 0.521 nan 8.190 nan 0.000 0.450 636 T N -0.431 114.068 114.554 -0.092 0.000 2.720 636 T HA -0.194 4.157 4.350 0.001 0.000 0.268 636 T C 2.143 176.791 174.700 -0.087 0.000 1.037 636 T CA 1.968 64.025 62.100 -0.072 0.000 1.144 636 T CB -0.229 68.671 68.868 0.052 0.000 0.864 636 T HN 0.508 nan 8.240 nan 0.000 0.444 637 S N 0.805 116.481 115.700 -0.040 0.000 2.368 637 S HA 0.018 4.489 4.470 0.001 0.000 0.224 637 S C 2.132 176.652 174.600 -0.133 0.000 1.029 637 S CA 0.838 59.045 58.200 0.012 0.000 0.988 637 S CB -0.225 63.023 63.200 0.080 0.000 0.838 637 S HN 0.325 nan 8.310 nan 0.000 0.462 638 M N 0.905 120.334 119.600 -0.285 0.000 2.159 638 M HA -0.027 4.454 4.480 0.001 0.000 0.263 638 M C 2.195 178.336 176.300 -0.265 0.000 1.063 638 M CA 1.050 56.165 55.300 -0.308 0.000 1.110 638 M CB -1.399 30.920 32.600 -0.468 0.000 1.374 638 M HN 0.170 nan 8.290 nan 0.000 0.411 639 V N 0.736 120.486 119.914 -0.274 0.000 2.261 639 V HA -0.250 3.871 4.120 0.001 0.000 0.246 639 V C 2.518 178.411 176.094 -0.334 0.000 1.047 639 V CA 1.477 63.609 62.300 -0.281 0.000 1.015 639 V CB -0.625 30.959 31.823 -0.398 0.000 0.642 639 V HN 0.406 nan 8.190 nan 0.000 0.446 640 L N 0.287 121.246 121.223 -0.439 0.000 2.191 640 L HA -0.054 4.287 4.340 0.001 0.000 0.212 640 L C 2.064 178.357 176.870 -0.961 0.000 1.103 640 L CA 1.433 55.913 54.840 -0.600 0.000 0.769 640 L CB -0.646 41.043 42.059 -0.618 0.000 0.908 640 L HN 0.495 nan 8.230 nan 0.000 0.438 641 G N -1.542 106.708 108.800 -0.918 0.000 3.523 641 G HA2 0.035 3.996 3.960 0.001 0.000 0.270 641 G HA3 0.035 3.996 3.960 0.001 0.000 0.270 641 G C 1.271 175.996 174.900 -0.291 0.000 1.134 641 G CA 0.502 45.163 45.100 -0.732 0.000 0.825 641 G HN 0.394 nan 8.290 nan 0.000 0.534 642 S N -1.138 114.416 115.700 -0.242 0.000 2.503 642 S HA 0.324 4.795 4.470 0.001 0.000 0.217 642 S C 1.931 176.484 174.600 -0.079 0.000 0.999 642 S CA 0.953 59.081 58.200 -0.121 0.000 0.914 642 S CB 0.094 63.243 63.200 -0.086 0.000 0.782 642 S HN 1.321 nan 8.310 nan 0.000 0.520 643 G N 1.625 110.368 108.800 -0.095 0.000 2.148 643 G HA2 -0.359 3.602 3.960 0.001 0.000 0.254 643 G HA3 -0.359 3.602 3.960 0.001 0.000 0.254 643 G C 1.038 175.924 174.900 -0.023 0.000 0.981 643 G CA 0.960 46.029 45.100 -0.053 0.000 0.670 643 G HN 1.256 nan 8.290 nan 0.000 0.528 644 S N -0.369 115.328 115.700 -0.005 0.000 2.419 644 S HA 0.262 4.732 4.470 0.001 0.000 0.233 644 S C 2.634 177.234 174.600 -0.000 0.000 1.016 644 S CA 1.798 60.006 58.200 0.013 0.000 0.974 644 S CB -0.384 62.855 63.200 0.064 0.000 0.786 644 S HN 2.449 nan 8.310 nan 0.000 0.492 645 G N -0.112 108.695 108.800 0.012 0.000 2.184 645 G HA2 -0.296 3.665 3.960 0.001 0.000 0.264 645 G HA3 -0.296 3.665 3.960 0.001 0.000 0.264 645 G C 0.771 175.643 174.900 -0.047 0.000 0.975 645 G CA 0.451 45.547 45.100 -0.007 0.000 0.642 645 G HN 0.775 nan 8.290 nan 0.000 0.536 646 V N -0.551 119.304 119.914 -0.097 0.000 2.719 646 V HA 0.266 4.387 4.120 0.001 0.000 0.252 646 V C 1.150 176.934 176.094 -0.515 0.000 1.065 646 V CA 1.383 63.469 62.300 -0.356 0.000 1.086 646 V CB -0.382 31.097 31.823 -0.572 0.000 0.700 646 V HN 0.316 nan 8.190 nan 0.000 0.467 647 F N -0.116 119.847 119.950 0.022 0.000 2.443 647 F HA 0.416 4.944 4.527 0.001 0.000 0.335 647 F C 1.099 176.944 175.800 0.076 0.000 1.104 647 F CA -0.613 57.428 58.000 0.068 0.000 1.013 647 F CB 1.537 40.580 39.000 0.072 0.000 1.136 647 F HN -0.272 nan 8.300 nan 0.000 0.470 648 K N 1.589 122.145 120.400 0.261 0.000 2.137 648 K HA 0.096 4.416 4.320 0.001 0.000 0.202 648 K C -0.098 176.638 176.600 0.227 0.000 1.052 648 K CA 0.914 57.323 56.287 0.203 0.000 0.961 648 K CB 0.246 32.863 32.500 0.194 0.000 0.741 648 K HN 0.804 nan 8.250 nan 0.000 0.452 649 c N -2.784 115.991 118.600 0.292 0.000 3.318 649 c HA 0.899 5.470 4.570 0.001 0.000 0.322 649 c C -0.263 174.065 174.090 0.397 0.000 1.398 649 c CA -0.634 55.895 56.329 0.334 0.000 1.339 649 c CB 1.113 43.751 42.510 0.213 0.000 1.668 649 c HN 0.336 nan 8.230 nan 0.000 0.462 650 G N 0.051 109.146 108.800 0.492 0.000 2.673 650 G HA2 0.706 4.667 3.960 0.001 0.000 0.292 650 G HA3 0.706 4.667 3.960 0.001 0.000 0.292 650 G C -1.915 173.214 174.900 0.382 0.000 1.450 650 G CA -0.683 44.667 45.100 0.417 0.000 0.837 650 G HN 0.995 nan 8.290 nan 0.000 0.505 651 I N 0.724 121.493 120.570 0.331 0.000 2.498 651 I HA 0.627 4.797 4.170 0.001 0.000 0.290 651 I C 0.115 176.365 176.117 0.221 0.000 1.032 651 I CA -1.034 60.354 61.300 0.147 0.000 1.073 651 I CB 2.248 40.310 38.000 0.103 0.000 1.251 651 I HN 0.643 nan 8.210 nan 0.000 0.426 652 A N 6.496 129.341 122.820 0.041 0.000 2.291 652 A HA 0.752 5.073 4.320 0.001 0.000 0.311 652 A C -0.757 176.742 177.584 -0.141 0.000 1.224 652 A CA -0.500 51.557 52.037 0.033 0.000 0.821 652 A CB 1.118 20.195 19.000 0.128 0.000 1.172 652 A HN 0.443 nan 8.150 nan 0.000 0.494 653 V N 2.123 121.901 119.914 -0.227 0.000 2.370 653 V HA 0.571 4.692 4.120 0.001 0.000 0.283 653 V C 0.954 176.659 176.094 -0.650 0.000 1.023 653 V CA 0.307 62.251 62.300 -0.594 0.000 0.857 653 V CB 0.714 31.834 31.823 -1.171 0.000 0.985 653 V HN 2.100 nan 8.190 nan 0.000 0.443 654 A N 5.581 128.001 122.820 -0.667 0.000 2.560 654 A HA -0.104 4.216 4.320 0.001 0.000 0.299 654 A C -1.656 175.775 177.584 -0.255 0.000 1.484 654 A CA 0.499 52.023 52.037 -0.856 0.000 0.749 654 A CB -1.555 17.093 19.000 -0.586 0.000 1.072 654 A HN 0.633 nan 8.150 nan 0.000 0.426 655 P HA 0.440 nan 4.420 nan 0.000 0.279 655 P C 0.120 177.388 177.300 -0.054 0.000 1.252 655 P CA -0.260 62.818 63.100 -0.036 0.000 0.811 655 P CB 1.372 33.074 31.700 0.003 0.000 1.035 656 V N 2.011 121.789 119.914 -0.225 0.000 2.649 656 V HA 0.094 4.215 4.120 0.001 0.000 0.292 656 V C 1.701 177.580 176.094 -0.359 0.000 1.055 656 V CA 0.854 62.863 62.300 -0.484 0.000 1.023 656 V CB 0.884 32.005 31.823 -1.170 0.000 0.992 656 V HN 0.842 nan 8.190 nan 0.000 0.480 657 S N 4.069 119.600 115.700 -0.281 0.000 2.613 657 S HA 0.228 4.699 4.470 0.001 0.000 0.235 657 S C 0.494 174.932 174.600 -0.270 0.000 1.073 657 S CA -0.359 57.758 58.200 -0.139 0.000 0.899 657 S CB 0.305 63.491 63.200 -0.023 0.000 0.818 657 S HN 0.816 nan 8.310 nan 0.000 0.484 658 R N -1.012 119.216 120.500 -0.454 0.000 2.522 658 R HA 0.481 4.822 4.340 0.001 0.000 0.283 658 R C -0.835 175.133 176.300 -0.554 0.000 1.074 658 R CA -0.853 54.916 56.100 -0.551 0.000 0.925 658 R CB -0.093 29.845 30.300 -0.603 0.000 1.205 658 R HN 0.146 nan 8.270 nan 0.000 0.436 659 W N 1.635 122.827 121.300 -0.181 0.000 2.359 659 W HA -0.104 4.557 4.660 0.001 0.000 0.275 659 W C 1.097 177.724 176.519 0.179 0.000 1.217 659 W CA 1.031 58.353 57.345 -0.039 0.000 1.196 659 W CB 0.173 29.515 29.460 -0.196 0.000 1.129 659 W HN 0.725 nan 8.180 nan 0.000 0.566 660 E N -1.151 119.198 120.200 0.248 0.000 2.409 660 E HA -0.178 4.173 4.350 0.001 0.000 0.198 660 E C 1.205 177.931 176.600 0.210 0.000 1.024 660 E CA 0.687 57.194 56.400 0.178 0.000 0.861 660 E CB -0.191 29.504 29.700 -0.009 0.000 0.788 660 E HN 0.386 nan 8.360 nan 0.000 0.521 661 Y N -1.552 118.832 120.300 0.140 0.000 2.510 661 Y HA 0.063 4.614 4.550 0.001 0.000 0.273 661 Y C 0.702 176.684 175.900 0.137 0.000 1.119 661 Y CA -0.302 57.849 58.100 0.085 0.000 1.286 661 Y CB -0.356 38.099 38.460 -0.008 0.000 1.061 661 Y HN 0.012 nan 8.280 nan 0.000 0.542 662 Y N 2.000 122.443 120.300 0.239 0.000 2.334 662 Y HA 0.272 4.822 4.550 0.001 0.000 0.325 662 Y C 0.386 176.484 175.900 0.331 0.000 1.308 662 Y CA -1.986 56.265 58.100 0.251 0.000 1.389 662 Y CB 0.339 38.985 38.460 0.309 0.000 1.328 662 Y HN 0.203 nan 8.280 nan 0.000 0.532 663 D N -0.564 119.473 120.400 -0.605 0.000 2.368 663 D HA 0.104 4.744 4.640 0.001 0.000 0.240 663 D C 0.955 177.235 176.300 -0.033 0.000 1.169 663 D CA 0.345 54.111 54.000 -0.390 0.000 0.906 663 D CB 0.894 41.229 40.800 -0.775 0.000 1.187 663 D HN 0.486 nan 8.370 nan 0.000 0.435 664 S N 1.123 116.808 115.700 -0.025 0.000 2.351 664 S HA -0.237 4.234 4.470 0.001 0.000 0.220 664 S C 1.977 176.605 174.600 0.047 0.000 1.035 664 S CA 1.208 59.449 58.200 0.067 0.000 1.031 664 S CB -1.091 62.155 63.200 0.077 0.000 0.928 664 S HN 0.437 nan 8.310 nan 0.000 0.433 665 V N 0.830 120.709 119.914 -0.059 0.000 2.324 665 V HA -0.196 3.925 4.120 0.001 0.000 0.250 665 V C 2.323 178.334 176.094 -0.138 0.000 1.060 665 V CA 2.365 64.533 62.300 -0.220 0.000 1.042 665 V CB -1.051 30.478 31.823 -0.490 0.000 0.650 665 V HN 0.660 nan 8.190 nan 0.000 0.450 666 Y N 0.943 121.192 120.300 -0.086 0.000 2.231 666 Y HA -0.117 4.433 4.550 0.001 0.000 0.294 666 Y C 2.648 178.554 175.900 0.009 0.000 1.120 666 Y CA 1.929 60.043 58.100 0.023 0.000 1.141 666 Y CB -0.450 38.217 38.460 0.345 0.000 1.022 666 Y HN 0.205 nan 8.280 nan 0.000 0.523 667 T N 0.464 115.252 114.554 0.391 0.000 2.674 667 T HA -0.186 4.165 4.350 0.001 0.000 0.265 667 T C 1.543 176.213 174.700 -0.050 0.000 1.039 667 T CA 1.951 64.192 62.100 0.235 0.000 1.150 667 T CB -0.301 68.855 68.868 0.481 0.000 0.864 667 T HN 0.411 nan 8.240 nan 0.000 0.427 668 E N 0.577 120.783 120.200 0.011 0.000 2.265 668 E HA -0.102 4.249 4.350 0.001 0.000 0.196 668 E C 2.340 178.819 176.600 -0.201 0.000 0.996 668 E CA 0.420 56.815 56.400 -0.008 0.000 0.832 668 E CB -0.110 29.632 29.700 0.069 0.000 0.756 668 E HN 0.341 nan 8.360 nan 0.000 0.491 669 R N 0.107 120.326 120.500 -0.467 0.000 2.091 669 R HA -0.197 4.143 4.340 0.001 0.000 0.238 669 R C 1.324 177.064 176.300 -0.934 0.000 1.136 669 R CA 1.648 57.269 56.100 -0.798 0.000 0.959 669 R CB -0.024 29.444 30.300 -1.388 0.000 0.856 669 R HN 0.237 nan 8.270 nan 0.000 0.437 670 Y N -1.752 118.213 120.300 -0.559 0.000 2.503 670 Y HA 0.197 4.747 4.550 0.001 0.000 0.277 670 Y C 1.797 177.509 175.900 -0.313 0.000 1.102 670 Y CA 0.183 57.958 58.100 -0.542 0.000 1.261 670 Y CB 0.350 38.360 38.460 -0.751 0.000 1.096 670 Y HN -0.043 nan 8.280 nan 0.000 0.546 671 M N -0.236 119.251 119.600 -0.188 0.000 2.333 671 M HA 0.349 4.830 4.480 0.001 0.000 0.257 671 M C 0.979 177.305 176.300 0.043 0.000 1.078 671 M CA 0.689 55.893 55.300 -0.160 0.000 1.005 671 M CB -0.418 31.889 32.600 -0.490 0.000 1.444 671 M HN 0.341 nan 8.290 nan 0.000 0.496 672 G N 1.967 110.799 108.800 0.053 0.000 2.697 672 G HA2 -0.247 3.714 3.960 0.001 0.000 0.240 672 G HA3 -0.247 3.714 3.960 0.001 0.000 0.240 672 G C -0.486 174.547 174.900 0.223 0.000 1.346 672 G CA -0.752 44.416 45.100 0.113 0.000 0.887 672 G HN 0.369 nan 8.290 nan 0.000 0.569 673 L N 1.726 123.042 121.223 0.156 0.000 2.375 673 L HA 0.436 4.776 4.340 0.001 0.000 0.271 673 L C -1.390 175.476 176.870 -0.007 0.000 1.107 673 L CA -1.730 53.161 54.840 0.084 0.000 0.806 673 L CB 1.759 43.832 42.059 0.023 0.000 1.146 673 L HN 0.464 nan 8.230 nan 0.000 0.447 674 P HA 0.081 nan 4.420 nan 0.000 0.212 674 P C -0.586 176.552 177.300 -0.269 0.000 1.816 674 P CA -0.141 62.545 63.100 -0.691 0.000 0.944 674 P CB -0.310 30.608 31.700 -1.304 0.000 1.896 675 T N -2.680 111.808 114.554 -0.110 0.000 2.908 675 T HA 0.459 4.810 4.350 0.001 0.000 0.290 675 T C -1.945 172.748 174.700 -0.012 0.000 1.034 675 T CA -2.435 59.632 62.100 -0.054 0.000 1.010 675 T CB 1.992 70.841 68.868 -0.032 0.000 1.068 675 T HN -0.193 nan 8.240 nan 0.000 0.481 676 P HA -0.088 nan 4.420 nan 0.000 0.219 676 P C 0.629 177.941 177.300 0.021 0.000 1.146 676 P CA 1.192 64.299 63.100 0.013 0.000 0.808 676 P CB 0.159 31.864 31.700 0.008 0.000 0.779 677 E N -0.829 119.380 120.200 0.014 0.000 2.371 677 E HA -0.058 4.292 4.350 0.001 0.000 0.194 677 E C 1.562 178.177 176.600 0.025 0.000 1.012 677 E CA 0.625 57.035 56.400 0.016 0.000 0.860 677 E CB -0.400 29.305 29.700 0.008 0.000 0.811 677 E HN 0.307 nan 8.360 nan 0.000 0.502 678 D N -0.191 120.229 120.400 0.034 0.000 2.855 678 D HA 0.051 4.691 4.640 0.001 0.000 0.257 678 D C 0.261 176.613 176.300 0.086 0.000 1.542 678 D CA 0.376 54.407 54.000 0.052 0.000 1.164 678 D CB 0.108 40.940 40.800 0.053 0.000 1.004 678 D HN 0.021 nan 8.370 nan 0.000 0.293 679 N N -0.139 118.642 118.700 0.135 0.000 2.390 679 N HA 0.071 4.811 4.740 0.001 0.000 0.259 679 N C 0.801 176.496 175.510 0.308 0.000 1.395 679 N CA -0.069 53.107 53.050 0.210 0.000 0.852 679 N CB 0.084 38.713 38.487 0.237 0.000 1.371 679 N HN 0.064 nan 8.380 nan 0.000 0.491 680 L N 0.469 121.795 121.223 0.172 0.000 2.042 680 L HA -0.088 4.253 4.340 0.001 0.000 0.210 680 L C 1.186 178.160 176.870 0.173 0.000 1.076 680 L CA 2.021 56.938 54.840 0.128 0.000 0.749 680 L CB -0.408 41.660 42.059 0.016 0.000 0.893 680 L HN 0.181 nan 8.230 nan 0.000 0.432 681 D N -1.443 119.041 120.400 0.140 0.000 2.104 681 D HA -0.264 4.376 4.640 0.001 0.000 0.194 681 D C 2.068 178.458 176.300 0.150 0.000 0.994 681 D CA 1.789 55.862 54.000 0.121 0.000 0.830 681 D CB -0.277 40.585 40.800 0.102 0.000 0.959 681 D HN 0.574 nan 8.370 nan 0.000 0.452 682 H N -0.855 118.280 119.070 0.109 0.000 2.495 682 H HA -0.066 4.491 4.556 0.001 0.000 0.287 682 H C 1.673 177.064 175.328 0.106 0.000 1.033 682 H CA 1.111 57.203 56.048 0.072 0.000 1.307 682 H CB -0.278 29.492 29.762 0.013 0.000 1.401 682 H HN 0.160 nan 8.280 nan 0.000 0.555 683 Y N 0.114 120.368 120.300 -0.077 0.000 2.200 683 Y HA -0.124 4.427 4.550 0.001 0.000 0.290 683 Y C 2.339 178.188 175.900 -0.085 0.000 1.137 683 Y CA 1.261 59.325 58.100 -0.060 0.000 1.163 683 Y CB 0.184 38.652 38.460 0.014 0.000 0.988 683 Y HN 0.106 nan 8.280 nan 0.000 0.518 684 R N 0.358 120.924 120.500 0.110 0.000 2.148 684 R HA -0.055 4.285 4.340 0.001 0.000 0.223 684 R C 0.806 177.103 176.300 -0.004 0.000 1.088 684 R CA 1.315 57.437 56.100 0.038 0.000 0.985 684 R CB -0.919 29.405 30.300 0.039 0.000 0.880 684 R HN 0.569 nan 8.270 nan 0.000 0.451 685 N N -0.659 118.026 118.700 -0.025 0.000 2.238 685 N HA -0.040 4.700 4.740 0.001 0.000 0.222 685 N C 0.116 175.598 175.510 -0.047 0.000 1.133 685 N CA 0.017 53.057 53.050 -0.017 0.000 0.854 685 N CB 0.511 39.014 38.487 0.026 0.000 1.041 685 N HN -0.069 nan 8.380 nan 0.000 0.510 686 S N -1.680 113.951 115.700 -0.115 0.000 2.588 686 S HA 0.142 4.612 4.470 0.001 0.000 0.245 686 S C 0.326 174.969 174.600 0.072 0.000 1.021 686 S CA -0.519 57.652 58.200 -0.049 0.000 1.006 686 S CB -0.958 62.095 63.200 -0.245 0.000 0.830 686 S HN 0.317 nan 8.310 nan 0.000 0.468 687 T N -1.620 112.937 114.554 0.004 0.000 2.918 687 T HA 0.565 4.916 4.350 0.001 0.000 0.283 687 T C 1.288 175.985 174.700 -0.004 0.000 1.001 687 T CA -0.613 61.476 62.100 -0.018 0.000 1.041 687 T CB 1.375 70.202 68.868 -0.069 0.000 1.028 687 T HN -0.046 nan 8.240 nan 0.000 0.511 688 V N 1.601 121.510 119.914 -0.009 0.000 2.323 688 V HA -0.111 4.009 4.120 0.001 0.000 0.244 688 V C 2.692 178.768 176.094 -0.030 0.000 1.041 688 V CA 1.612 63.898 62.300 -0.022 0.000 1.025 688 V CB -0.963 30.841 31.823 -0.032 0.000 0.656 688 V HN 0.831 nan 8.190 nan 0.000 0.451 689 M N 1.378 120.943 119.600 -0.058 0.000 2.116 689 M HA -0.228 4.253 4.480 0.001 0.000 0.255 689 M C 2.348 178.627 176.300 -0.036 0.000 1.075 689 M CA 2.415 57.675 55.300 -0.067 0.000 1.087 689 M CB -1.094 31.477 32.600 -0.049 0.000 1.340 689 M HN 0.553 nan 8.290 nan 0.000 0.402 690 S N -0.407 115.283 115.700 -0.018 0.000 2.469 690 S HA -0.100 4.370 4.470 0.001 0.000 0.238 690 S C 1.722 176.332 174.600 0.016 0.000 0.998 690 S CA 0.809 59.007 58.200 -0.003 0.000 0.957 690 S CB -0.459 62.740 63.200 -0.002 0.000 0.764 690 S HN 0.574 nan 8.310 nan 0.000 0.514 691 R N 0.356 120.878 120.500 0.037 0.000 2.427 691 R HA 0.464 4.805 4.340 0.001 0.000 0.262 691 R C 2.190 178.599 176.300 0.182 0.000 0.943 691 R CA 0.395 56.543 56.100 0.081 0.000 1.081 691 R CB -0.225 30.116 30.300 0.069 0.000 1.166 691 R HN 0.458 nan 8.270 nan 0.000 0.534 692 A N 1.896 124.772 122.820 0.092 0.000 1.881 692 A HA -0.334 3.987 4.320 0.001 0.000 0.219 692 A C 2.015 179.695 177.584 0.161 0.000 1.215 692 A CA 2.122 54.182 52.037 0.038 0.000 0.648 692 A CB -0.431 18.529 19.000 -0.065 0.000 0.832 692 A HN 0.338 nan 8.150 nan 0.000 0.455 693 E N 0.075 120.336 120.200 0.101 0.000 2.114 693 E HA -0.216 4.135 4.350 0.001 0.000 0.199 693 E C 1.599 178.265 176.600 0.109 0.000 1.008 693 E CA 1.643 58.097 56.400 0.091 0.000 0.810 693 E CB -0.202 29.530 29.700 0.054 0.000 0.739 693 E HN 0.621 nan 8.360 nan 0.000 0.456 694 N N -0.563 118.197 118.700 0.100 0.000 2.573 694 N HA -0.117 4.623 4.740 0.001 0.000 0.187 694 N C 0.697 176.188 175.510 -0.031 0.000 1.107 694 N CA 0.592 53.650 53.050 0.013 0.000 0.918 694 N CB -0.136 38.311 38.487 -0.067 0.000 0.966 694 N HN 0.252 nan 8.380 nan 0.000 0.448 695 F N 1.133 121.046 119.950 -0.061 0.000 2.780 695 F HA 0.104 4.631 4.527 0.001 0.000 0.299 695 F C 1.910 177.718 175.800 0.014 0.000 1.146 695 F CA 0.292 58.253 58.000 -0.065 0.000 1.428 695 F CB 0.217 39.134 39.000 -0.139 0.000 1.115 695 F HN -0.089 nan 8.300 nan 0.000 0.583 696 K N 0.014 120.516 120.400 0.171 0.000 2.281 696 K HA -0.174 4.146 4.320 0.001 0.000 0.203 696 K C 1.247 177.912 176.600 0.108 0.000 1.046 696 K CA 1.037 57.404 56.287 0.134 0.000 0.938 696 K CB -0.135 32.422 32.500 0.095 0.000 0.737 696 K HN 0.386 nan 8.250 nan 0.000 0.458 697 Q N 0.548 120.394 119.800 0.077 0.000 2.188 697 Q HA 0.081 4.422 4.340 0.001 0.000 0.212 697 Q C -0.346 175.701 176.000 0.079 0.000 0.846 697 Q CA -0.098 55.743 55.803 0.065 0.000 0.989 697 Q CB 0.942 29.701 28.738 0.036 0.000 1.114 697 Q HN 0.107 nan 8.270 nan 0.000 0.488 698 V N -3.535 116.447 119.914 0.113 0.000 3.130 698 V HA 0.531 4.652 4.120 0.001 0.000 0.310 698 V C -1.129 175.116 176.094 0.252 0.000 1.158 698 V CA -1.227 61.165 62.300 0.153 0.000 1.029 698 V CB 2.434 34.316 31.823 0.098 0.000 1.057 698 V HN -0.003 nan 8.190 nan 0.000 0.436 699 E N 1.419 121.800 120.200 0.302 0.000 2.134 699 E HA 0.473 4.824 4.350 0.001 0.000 0.278 699 E C -1.932 175.057 176.600 0.649 0.000 0.959 699 E CA -0.425 56.234 56.400 0.431 0.000 0.783 699 E CB 1.837 31.722 29.700 0.308 0.000 1.095 699 E HN 0.690 nan 8.360 nan 0.000 0.399 700 Y N 3.673 124.242 120.300 0.448 0.000 2.376 700 Y HA 0.431 4.982 4.550 0.001 0.000 0.340 700 Y C -1.658 174.311 175.900 0.114 0.000 0.965 700 Y CA -1.459 56.831 58.100 0.315 0.000 1.078 700 Y CB 0.985 39.663 38.460 0.363 0.000 1.193 700 Y HN 0.404 nan 8.280 nan 0.000 0.452 701 L N 7.984 128.925 121.223 -0.470 0.000 2.319 701 L HA 0.598 4.939 4.340 0.001 0.000 0.281 701 L C -2.137 174.299 176.870 -0.724 0.000 1.005 701 L CA -0.830 53.585 54.840 -0.708 0.000 0.828 701 L CB 1.260 42.575 42.059 -1.239 0.000 1.227 701 L HN 0.642 nan 8.230 nan 0.000 0.415 702 L N 6.783 127.652 121.223 -0.590 0.000 2.305 702 L HA 0.695 5.036 4.340 0.001 0.000 0.284 702 L C -1.123 175.617 176.870 -0.215 0.000 1.013 702 L CA -0.017 54.512 54.840 -0.518 0.000 0.819 702 L CB 1.057 42.785 42.059 -0.552 0.000 1.227 702 L HN 0.589 nan 8.230 nan 0.000 0.417 703 I N 4.353 124.813 120.570 -0.184 0.000 2.689 703 I HA 0.532 4.703 4.170 0.001 0.000 0.299 703 I C -1.080 175.039 176.117 0.003 0.000 1.059 703 I CA -0.822 60.429 61.300 -0.080 0.000 1.055 703 I CB 2.146 40.065 38.000 -0.137 0.000 1.243 703 I HN 0.701 nan 8.210 nan 0.000 0.425 704 H N 1.455 120.572 119.070 0.079 0.000 3.114 704 H HA 0.405 4.962 4.556 0.001 0.000 0.325 704 H C -0.602 174.952 175.328 0.377 0.000 1.206 704 H CA -0.614 55.535 56.048 0.167 0.000 1.316 704 H CB 1.774 31.594 29.762 0.096 0.000 1.981 704 H HN 0.776 nan 8.280 nan 0.000 0.527 705 G N 0.893 110.052 108.800 0.599 0.000 2.372 705 G HA2 0.260 4.221 3.960 0.001 0.000 0.283 705 G HA3 0.260 4.221 3.960 0.001 0.000 0.283 705 G C 1.140 176.301 174.900 0.435 0.000 1.177 705 G CA 0.115 45.507 45.100 0.487 0.000 0.842 705 G HN 0.733 nan 8.290 nan 0.000 0.503 706 T N -0.635 114.029 114.554 0.182 0.000 2.962 706 T HA 0.032 4.383 4.350 0.001 0.000 0.270 706 T C 1.735 176.402 174.700 -0.055 0.000 1.088 706 T CA 1.306 63.333 62.100 -0.123 0.000 1.127 706 T CB 0.130 68.872 68.868 -0.210 0.000 0.883 706 T HN 0.680 nan 8.240 nan 0.000 0.493 707 A N 1.027 123.888 122.820 0.068 0.000 2.577 707 A HA 0.301 4.622 4.320 0.001 0.000 0.280 707 A C 0.414 177.968 177.584 -0.050 0.000 1.331 707 A CA -0.512 51.546 52.037 0.034 0.000 0.935 707 A CB -0.304 18.953 19.000 0.429 0.000 1.082 707 A HN 0.373 nan 8.150 nan 0.000 0.525 708 D N 1.482 121.881 120.400 -0.002 0.000 2.346 708 D HA -0.006 4.635 4.640 0.001 0.000 0.260 708 D C 0.357 176.628 176.300 -0.048 0.000 1.252 708 D CA 0.175 54.272 54.000 0.161 0.000 0.895 708 D CB 0.719 41.767 40.800 0.412 0.000 1.097 708 D HN 0.575 nan 8.370 nan 0.000 0.489 709 D N 2.329 122.762 120.400 0.055 0.000 2.348 709 D HA -0.127 4.514 4.640 0.001 0.000 0.211 709 D C 0.959 177.263 176.300 0.007 0.000 0.998 709 D CA -0.137 53.846 54.000 -0.029 0.000 0.873 709 D CB 0.420 41.181 40.800 -0.066 0.000 0.925 709 D HN 0.210 nan 8.370 nan 0.000 0.524 710 N N 1.011 119.806 118.700 0.158 0.000 2.335 710 N HA -0.061 4.680 4.740 0.001 0.000 0.197 710 N C 0.027 175.496 175.510 -0.068 0.000 1.045 710 N CA 0.626 53.798 53.050 0.203 0.000 0.928 710 N CB 0.270 38.855 38.487 0.162 0.000 1.118 710 N HN -0.103 nan 8.380 nan 0.000 0.471 711 V N 3.832 123.716 119.914 -0.050 0.000 2.288 711 V HA 0.195 4.316 4.120 0.001 0.000 0.266 711 V C -0.630 175.526 176.094 0.103 0.000 1.048 711 V CA -0.700 61.608 62.300 0.013 0.000 0.842 711 V CB -0.111 31.765 31.823 0.089 0.000 1.064 711 V HN 0.319 nan 8.190 nan 0.000 0.472 712 H N 3.296 122.346 119.070 -0.034 0.000 3.038 712 H HA -0.034 4.523 4.556 0.001 0.000 0.338 712 H C 0.916 176.118 175.328 -0.211 0.000 1.041 712 H CA -0.088 55.864 56.048 -0.160 0.000 1.394 712 H CB 0.469 30.049 29.762 -0.304 0.000 1.357 712 H HN 0.606 nan 8.280 nan 0.000 0.600 713 F N 2.051 121.812 119.950 -0.314 0.000 2.184 713 F HA -0.306 4.222 4.527 0.001 0.000 0.301 713 F C 2.576 178.095 175.800 -0.469 0.000 1.076 713 F CA 2.023 59.627 58.000 -0.659 0.000 1.295 713 F CB -0.111 38.674 39.000 -0.359 0.000 1.026 713 F HN 0.685 nan 8.300 nan 0.000 0.494 714 Q N 0.209 119.871 119.800 -0.229 0.000 2.118 714 Q HA -0.338 4.003 4.340 0.001 0.000 0.211 714 Q C 2.098 177.846 176.000 -0.419 0.000 0.998 714 Q CA 2.503 58.111 55.803 -0.324 0.000 0.872 714 Q CB -0.439 28.076 28.738 -0.371 0.000 0.925 714 Q HN 0.598 nan 8.270 nan 0.000 0.414 715 Q N -0.285 119.319 119.800 -0.326 0.000 2.112 715 Q HA -0.141 4.199 4.340 0.001 0.000 0.206 715 Q C 2.261 178.146 176.000 -0.192 0.000 0.987 715 Q CA 1.824 57.551 55.803 -0.128 0.000 0.858 715 Q CB -0.157 28.589 28.738 0.012 0.000 0.905 715 Q HN 0.354 nan 8.270 nan 0.000 0.420 716 S N 0.562 116.029 115.700 -0.390 0.000 2.414 716 S HA 0.023 4.494 4.470 0.001 0.000 0.227 716 S C 2.030 176.343 174.600 -0.479 0.000 1.022 716 S CA 0.649 58.614 58.200 -0.393 0.000 0.958 716 S CB -0.056 62.889 63.200 -0.424 0.000 0.797 716 S HN 0.469 nan 8.310 nan 0.000 0.493 717 A N 1.429 123.865 122.820 -0.641 0.000 1.933 717 A HA -0.133 4.188 4.320 0.001 0.000 0.218 717 A C 2.119 179.582 177.584 -0.202 0.000 1.175 717 A CA 1.144 52.948 52.037 -0.388 0.000 0.628 717 A CB -0.388 18.454 19.000 -0.262 0.000 0.814 717 A HN 0.358 nan 8.150 nan 0.000 0.444 718 Q N -0.536 119.156 119.800 -0.180 0.000 2.187 718 Q HA 0.025 4.365 4.340 0.001 0.000 0.199 718 Q C 2.114 178.055 176.000 -0.098 0.000 0.957 718 Q CA 0.845 56.601 55.803 -0.079 0.000 0.857 718 Q CB -0.264 28.500 28.738 0.043 0.000 0.929 718 Q HN 0.776 nan 8.270 nan 0.000 0.453 719 I N 1.125 121.608 120.570 -0.146 0.000 2.142 719 I HA -0.287 3.884 4.170 0.001 0.000 0.240 719 I C 2.573 178.520 176.117 -0.283 0.000 1.078 719 I CA 1.513 62.688 61.300 -0.208 0.000 1.343 719 I CB -0.490 37.389 38.000 -0.202 0.000 1.046 719 I HN 0.196 nan 8.210 nan 0.000 0.405 720 S N 1.033 116.575 115.700 -0.264 0.000 2.370 720 S HA -0.304 4.167 4.470 0.001 0.000 0.226 720 S C 2.038 176.596 174.600 -0.070 0.000 1.033 720 S CA 1.691 59.758 58.200 -0.223 0.000 1.011 720 S CB -0.502 62.716 63.200 0.029 0.000 0.852 720 S HN 0.384 nan 8.310 nan 0.000 0.457 721 K N 1.738 122.106 120.400 -0.054 0.000 2.057 721 K HA 0.018 4.339 4.320 0.001 0.000 0.207 721 K C 2.285 178.866 176.600 -0.032 0.000 1.049 721 K CA 1.210 57.487 56.287 -0.016 0.000 0.931 721 K CB -0.724 31.764 32.500 -0.020 0.000 0.714 721 K HN 0.454 nan 8.250 nan 0.000 0.440 722 A N 1.038 123.810 122.820 -0.079 0.000 1.933 722 A HA -0.093 4.228 4.320 0.001 0.000 0.218 722 A C 2.095 179.621 177.584 -0.096 0.000 1.175 722 A CA 1.249 53.237 52.037 -0.082 0.000 0.628 722 A CB -0.561 18.374 19.000 -0.107 0.000 0.814 722 A HN 0.329 nan 8.150 nan 0.000 0.444 723 L N -0.693 120.428 121.223 -0.171 0.000 2.056 723 L HA -0.145 4.195 4.340 0.001 0.000 0.207 723 L C 2.520 179.418 176.870 0.045 0.000 1.078 723 L CA 0.966 55.719 54.840 -0.145 0.000 0.749 723 L CB -0.580 41.253 42.059 -0.376 0.000 0.901 723 L HN 0.238 nan 8.230 nan 0.000 0.433 724 V N -0.105 119.867 119.914 0.096 0.000 2.343 724 V HA -0.301 3.820 4.120 0.001 0.000 0.247 724 V C 2.006 178.138 176.094 0.064 0.000 1.051 724 V CA 1.940 64.313 62.300 0.122 0.000 1.036 724 V CB -0.511 31.380 31.823 0.114 0.000 0.654 724 V HN 0.427 nan 8.190 nan 0.000 0.451 725 D N 0.160 120.580 120.400 0.033 0.000 2.218 725 D HA -0.105 4.536 4.640 0.001 0.000 0.204 725 D C 1.654 177.969 176.300 0.026 0.000 0.976 725 D CA 1.595 55.609 54.000 0.023 0.000 0.853 725 D CB -0.082 40.723 40.800 0.009 0.000 0.939 725 D HN 0.561 nan 8.370 nan 0.000 0.481 726 V N -3.987 115.944 119.914 0.029 0.000 3.376 726 V HA 0.529 4.650 4.120 0.001 0.000 0.313 726 V C 1.205 177.331 176.094 0.053 0.000 1.393 726 V CA 0.181 62.502 62.300 0.036 0.000 1.125 726 V CB -0.031 31.812 31.823 0.033 0.000 1.037 726 V HN 0.129 nan 8.190 nan 0.000 0.440 727 G N 0.499 109.337 108.800 0.063 0.000 2.221 727 G HA2 -0.193 3.768 3.960 0.001 0.000 0.265 727 G HA3 -0.193 3.768 3.960 0.001 0.000 0.265 727 G C -0.049 174.912 174.900 0.101 0.000 1.041 727 G CA 0.258 45.403 45.100 0.074 0.000 0.807 727 G HN 0.860 nan 8.290 nan 0.000 0.502 728 V N 0.562 120.556 119.914 0.133 0.000 2.383 728 V HA 0.447 4.568 4.120 0.001 0.000 0.275 728 V C 0.467 176.733 176.094 0.287 0.000 1.036 728 V CA -0.463 61.949 62.300 0.186 0.000 0.889 728 V CB 1.682 33.609 31.823 0.173 0.000 0.985 728 V HN 0.442 nan 8.190 nan 0.000 0.459 729 D N 4.098 124.638 120.400 0.233 0.000 2.304 729 D HA 0.598 5.239 4.640 0.001 0.000 0.247 729 D C -0.533 175.968 176.300 0.334 0.000 1.089 729 D CA 0.172 54.284 54.000 0.187 0.000 0.910 729 D CB 0.816 41.672 40.800 0.094 0.000 1.199 729 D HN 0.375 nan 8.370 nan 0.000 0.426 730 F N -0.483 119.539 119.950 0.120 0.000 2.817 730 F HA 0.453 4.981 4.527 0.001 0.000 0.317 730 F C -1.635 174.217 175.800 0.086 0.000 1.168 730 F CA -1.167 56.926 58.000 0.154 0.000 0.911 730 F CB 0.760 39.884 39.000 0.207 0.000 1.337 730 F HN 0.065 nan 8.300 nan 0.000 0.464 731 Q N 1.478 121.347 119.800 0.115 0.000 2.245 731 Q HA 0.821 5.162 4.340 0.001 0.000 0.256 731 Q C -0.831 175.180 176.000 0.019 0.000 0.942 731 Q CA -0.728 55.062 55.803 -0.021 0.000 0.896 731 Q CB 1.931 30.684 28.738 0.025 0.000 1.272 731 Q HN 1.044 nan 8.270 nan 0.000 0.442 732 A N 1.774 124.569 122.820 -0.040 0.000 2.556 732 A HA 0.856 5.177 4.320 0.001 0.000 0.294 732 A C -1.343 176.185 177.584 -0.093 0.000 1.091 732 A CA -0.590 51.457 52.037 0.016 0.000 0.704 732 A CB 1.948 21.042 19.000 0.156 0.000 1.300 732 A HN 0.619 nan 8.150 nan 0.000 0.406 733 M N 1.451 120.973 119.600 -0.130 0.000 2.255 733 M HA 0.599 5.079 4.480 0.001 0.000 0.275 733 M C -2.031 174.100 176.300 -0.283 0.000 1.050 733 M CA -0.502 54.557 55.300 -0.401 0.000 0.978 733 M CB 1.155 33.443 32.600 -0.520 0.000 1.761 733 M HN 0.953 nan 8.290 nan 0.000 0.479 734 W N 4.039 125.168 121.300 -0.284 0.000 2.578 734 W HA 0.788 5.449 4.660 0.001 0.000 0.346 734 W C -2.032 174.210 176.519 -0.461 0.000 1.075 734 W CA -0.973 56.286 57.345 -0.143 0.000 1.233 734 W CB 0.417 29.850 29.460 -0.045 0.000 1.358 734 W HN 0.616 nan 8.180 nan 0.000 0.574 735 Y N 2.089 122.503 120.300 0.191 0.000 2.376 735 Y HA 0.300 4.850 4.550 0.001 0.000 0.326 735 Y C 0.518 176.522 175.900 0.173 0.000 0.970 735 Y CA -1.025 57.112 58.100 0.062 0.000 1.248 735 Y CB 1.627 40.103 38.460 0.028 0.000 1.117 735 Y HN 0.410 nan 8.280 nan 0.000 0.476 736 T N 4.654 119.374 114.554 0.277 0.000 2.831 736 T HA -0.049 4.302 4.350 0.001 0.000 0.291 736 T C 0.209 174.974 174.700 0.107 0.000 0.981 736 T CA 0.723 62.928 62.100 0.174 0.000 1.174 736 T CB -0.138 68.776 68.868 0.077 0.000 0.929 736 T HN 0.731 nan 8.240 nan 0.000 0.532 737 D N 0.811 121.238 120.400 0.045 0.000 3.059 737 D HA -0.125 4.516 4.640 0.001 0.000 0.213 737 D C 0.300 176.703 176.300 0.173 0.000 1.144 737 D CA 1.144 55.097 54.000 -0.078 0.000 0.975 737 D CB -0.368 40.184 40.800 -0.414 0.000 1.125 737 D HN 0.544 nan 8.370 nan 0.000 0.412 738 E N 0.884 121.217 120.200 0.220 0.000 2.313 738 E HA 0.329 4.679 4.350 0.001 0.000 0.272 738 E C 0.762 177.542 176.600 0.299 0.000 1.038 738 E CA -0.247 56.308 56.400 0.258 0.000 0.863 738 E CB 1.144 30.988 29.700 0.241 0.000 1.060 738 E HN 0.355 nan 8.360 nan 0.000 0.402 739 D N -0.430 120.162 120.400 0.319 0.000 2.511 739 D HA -0.002 4.638 4.640 0.001 0.000 0.283 739 D C 1.094 177.629 176.300 0.391 0.000 1.198 739 D CA -0.148 54.066 54.000 0.356 0.000 1.097 739 D CB -0.208 40.829 40.800 0.395 0.000 1.160 739 D HN 0.407 nan 8.370 nan 0.000 0.589 740 H N -1.606 117.651 119.070 0.312 0.000 2.457 740 H HA 0.080 4.637 4.556 0.001 0.000 0.297 740 H C 1.874 177.460 175.328 0.429 0.000 1.092 740 H CA 2.157 58.411 56.048 0.344 0.000 1.309 740 H CB -0.372 29.576 29.762 0.310 0.000 1.382 740 H HN 0.489 nan 8.280 nan 0.000 0.535 741 G N -0.419 108.561 108.800 0.300 0.000 2.777 741 G HA2 0.029 3.989 3.960 0.001 0.000 0.211 741 G HA3 0.029 3.989 3.960 0.001 0.000 0.211 741 G C 0.615 175.692 174.900 0.295 0.000 1.149 741 G CA 0.235 45.434 45.100 0.165 0.000 0.785 741 G HN 0.504 nan 8.290 nan 0.000 0.536 742 I N 0.195 120.967 120.570 0.336 0.000 5.115 742 I HA -0.333 3.837 4.170 0.001 0.000 0.126 742 I C 1.539 177.788 176.117 0.221 0.000 1.316 742 I CA 0.202 61.652 61.300 0.251 0.000 2.641 742 I CB -1.103 37.031 38.000 0.224 0.000 2.272 742 I HN 0.267 nan 8.210 nan 0.000 0.321 743 A N 1.320 124.239 122.820 0.164 0.000 2.390 743 A HA 0.275 4.596 4.320 0.001 0.000 0.232 743 A C 1.177 178.805 177.584 0.073 0.000 1.233 743 A CA 0.529 52.624 52.037 0.098 0.000 0.907 743 A CB 0.154 19.175 19.000 0.035 0.000 0.967 743 A HN 0.632 nan 8.150 nan 0.000 0.512 744 S N -0.293 115.466 115.700 0.099 0.000 2.573 744 S HA 0.149 4.620 4.470 0.001 0.000 0.277 744 S C 1.261 175.913 174.600 0.088 0.000 1.346 744 S CA 0.341 58.593 58.200 0.087 0.000 1.034 744 S CB 1.043 64.302 63.200 0.098 0.000 0.879 744 S HN 0.551 nan 8.310 nan 0.000 0.528 745 S N 2.065 117.805 115.700 0.067 0.000 2.368 745 S HA -0.212 4.259 4.470 0.001 0.000 0.226 745 S C 2.079 176.740 174.600 0.103 0.000 1.044 745 S CA 2.406 60.650 58.200 0.074 0.000 1.062 745 S CB -1.669 61.557 63.200 0.043 0.000 0.931 745 S HN 1.055 nan 8.310 nan 0.000 0.440 746 T N -0.053 114.549 114.554 0.081 0.000 2.777 746 T HA 0.163 4.514 4.350 0.001 0.000 0.266 746 T C 2.034 176.788 174.700 0.089 0.000 1.040 746 T CA 1.376 63.525 62.100 0.083 0.000 1.141 746 T CB -1.068 67.841 68.868 0.069 0.000 0.868 746 T HN 0.505 nan 8.240 nan 0.000 0.444 747 A N 1.612 124.461 122.820 0.048 0.000 1.902 747 A HA -0.141 4.180 4.320 0.001 0.000 0.217 747 A C 2.215 179.737 177.584 -0.103 0.000 1.181 747 A CA 2.177 54.159 52.037 -0.093 0.000 0.623 747 A CB -1.280 17.628 19.000 -0.153 0.000 0.818 747 A HN 0.768 nan 8.150 nan 0.000 0.443 748 H N -0.170 118.878 119.070 -0.036 0.000 2.290 748 H HA -0.143 4.414 4.556 0.001 0.000 0.298 748 H C 2.116 177.516 175.328 0.121 0.000 1.087 748 H CA 2.371 58.460 56.048 0.069 0.000 1.291 748 H CB -0.281 29.525 29.762 0.075 0.000 1.369 748 H HN 0.584 nan 8.280 nan 0.000 0.492 749 Q N -1.031 118.751 119.800 -0.030 0.000 2.124 749 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 749 Q C 2.232 178.216 176.000 -0.028 0.000 0.977 749 Q CA 1.354 57.106 55.803 -0.085 0.000 0.850 749 Q CB -0.186 28.547 28.738 -0.009 0.000 0.901 749 Q HN 0.630 nan 8.270 nan 0.000 0.429 750 H N 0.719 119.762 119.070 -0.045 0.000 2.357 750 H HA -0.071 4.486 4.556 0.001 0.000 0.301 750 H C 2.035 177.373 175.328 0.016 0.000 1.082 750 H CA 1.349 57.408 56.048 0.018 0.000 1.342 750 H CB -0.016 29.804 29.762 0.096 0.000 1.389 750 H HN 0.292 nan 8.280 nan 0.000 0.511 751 I N 0.061 120.631 120.570 -0.000 0.000 2.252 751 I HA -0.319 3.852 4.170 0.001 0.000 0.245 751 I C 1.790 177.717 176.117 -0.317 0.000 1.102 751 I CA 1.276 62.501 61.300 -0.125 0.000 1.385 751 I CB -0.288 37.450 38.000 -0.435 0.000 1.064 751 I HN 0.109 nan 8.210 nan 0.000 0.414 752 Y N 0.935 121.056 120.300 -0.299 0.000 2.293 752 Y HA -0.183 4.368 4.550 0.001 0.000 0.291 752 Y C 2.695 178.425 175.900 -0.283 0.000 1.137 752 Y CA 1.779 59.602 58.100 -0.461 0.000 1.202 752 Y CB -0.813 37.364 38.460 -0.471 0.000 0.990 752 Y HN 0.162 nan 8.280 nan 0.000 0.537 753 T N -1.676 112.825 114.554 -0.087 0.000 2.737 753 T HA -0.220 4.130 4.350 0.001 0.000 0.265 753 T C 1.567 176.194 174.700 -0.123 0.000 1.038 753 T CA 1.835 63.849 62.100 -0.142 0.000 1.144 753 T CB -0.433 68.351 68.868 -0.141 0.000 0.866 753 T HN 0.394 nan 8.240 nan 0.000 0.434 754 H N 0.855 119.844 119.070 -0.135 0.000 2.353 754 H HA 0.106 4.663 4.556 0.001 0.000 0.300 754 H C 2.145 177.488 175.328 0.025 0.000 1.090 754 H CA 1.565 57.607 56.048 -0.009 0.000 1.327 754 H CB -0.248 29.490 29.762 -0.040 0.000 1.383 754 H HN 0.261 nan 8.280 nan 0.000 0.508 755 M N -0.977 118.576 119.600 -0.079 0.000 2.175 755 M HA -0.142 4.339 4.480 0.001 0.000 0.264 755 M C 2.411 178.828 176.300 0.195 0.000 1.063 755 M CA 1.315 56.568 55.300 -0.078 0.000 1.119 755 M CB 0.068 32.396 32.600 -0.453 0.000 1.377 755 M HN 0.183 nan 8.290 nan 0.000 0.415 756 S N -0.548 115.287 115.700 0.225 0.000 2.356 756 S HA -0.157 4.314 4.470 0.001 0.000 0.223 756 S C 1.697 176.375 174.600 0.130 0.000 1.032 756 S CA 1.036 59.437 58.200 0.336 0.000 1.005 756 S CB -0.568 62.799 63.200 0.278 0.000 0.867 756 S HN 0.471 nan 8.310 nan 0.000 0.449 757 H N -0.251 118.877 119.070 0.098 0.000 2.352 757 H HA -0.062 4.495 4.556 0.001 0.000 0.299 757 H C 2.005 177.335 175.328 0.003 0.000 1.097 757 H CA 1.388 57.450 56.048 0.023 0.000 1.311 757 H CB -0.727 29.007 29.762 -0.047 0.000 1.377 757 H HN 0.443 nan 8.280 nan 0.000 0.504 758 F N 1.355 121.289 119.950 -0.026 0.000 2.102 758 F HA -0.191 4.337 4.527 0.001 0.000 0.298 758 F C 2.329 178.081 175.800 -0.079 0.000 1.105 758 F CA 0.933 58.888 58.000 -0.075 0.000 1.239 758 F CB -0.280 38.650 39.000 -0.117 0.000 0.991 758 F HN -0.048 nan 8.300 nan 0.000 0.474 759 I N 0.659 121.244 120.570 0.025 0.000 2.179 759 I HA -0.273 3.898 4.170 0.001 0.000 0.242 759 I C 2.248 178.149 176.117 -0.359 0.000 1.088 759 I CA 1.494 62.634 61.300 -0.268 0.000 1.357 759 I CB -1.355 36.550 38.000 -0.159 0.000 1.051 759 I HN 0.217 nan 8.210 nan 0.000 0.409 760 K N 0.254 120.592 120.400 -0.103 0.000 2.032 760 K HA -0.232 4.089 4.320 0.001 0.000 0.209 760 K C 2.129 178.712 176.600 -0.028 0.000 1.048 760 K CA 1.269 57.553 56.287 -0.004 0.000 0.927 760 K CB -0.287 32.260 32.500 0.078 0.000 0.712 760 K HN 0.313 nan 8.250 nan 0.000 0.441 761 Q N 1.475 121.224 119.800 -0.086 0.000 2.050 761 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 761 Q C 2.283 178.187 176.000 -0.160 0.000 0.980 761 Q CA 1.969 57.707 55.803 -0.109 0.000 0.840 761 Q CB -0.835 27.817 28.738 -0.142 0.000 0.898 761 Q HN 0.424 nan 8.270 nan 0.000 0.424 762 c N 0.305 118.699 118.600 -0.344 0.000 2.413 762 c HA -0.121 4.450 4.570 0.001 0.000 0.277 762 c C 2.255 176.368 174.090 0.038 0.000 1.265 762 c CA 0.680 56.832 56.329 -0.294 0.000 1.752 762 c CB -1.423 40.763 42.510 -0.541 0.000 1.998 762 c HN 0.547 nan 8.230 nan 0.000 0.489 763 F N 1.372 121.286 119.950 -0.060 0.000 2.765 763 F HA 0.253 4.781 4.527 0.001 0.000 0.302 763 F C 1.672 177.459 175.800 -0.021 0.000 1.111 763 F CA 0.468 58.453 58.000 -0.024 0.000 1.359 763 F CB -1.184 37.811 39.000 -0.009 0.000 1.097 763 F HN 0.207 nan 8.300 nan 0.000 0.577 764 S N 0.938 116.724 115.700 0.143 0.000 3.749 764 S HA -0.185 4.286 4.470 0.001 0.000 0.348 764 S C -0.011 174.637 174.600 0.080 0.000 1.045 764 S CA 0.054 58.301 58.200 0.078 0.000 1.051 764 S CB -2.063 61.171 63.200 0.056 0.000 0.898 764 S HN 0.218 nan 8.310 nan 0.000 0.472 765 L N 0.782 122.066 121.223 0.101 0.000 2.307 765 L HA 0.467 4.808 4.340 0.001 0.000 0.282 765 L C -1.161 175.753 176.870 0.073 0.000 1.051 765 L CA -2.190 52.705 54.840 0.091 0.000 0.804 765 L CB 0.161 42.293 42.059 0.121 0.000 1.197 765 L HN 0.038 nan 8.230 nan 0.000 0.431 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.059 0.000 0.800 766 P CB 0.000 31.732 31.700 0.053 0.000 0.726