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 2i03_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.647 174.600 0.079 0.000 1.055 39 S CA 0.000 58.252 58.200 0.086 0.000 1.107 39 S CB 0.000 63.259 63.200 0.098 0.000 0.593 40 R N 3.154 123.700 120.500 0.077 0.000 3.271 40 R HA 0.498 4.840 4.340 0.002 0.000 0.245 40 R C 0.712 177.061 176.300 0.082 0.000 1.112 40 R CA -0.412 55.732 56.100 0.074 0.000 1.102 40 R CB -0.518 29.825 30.300 0.072 0.000 0.928 40 R HN 0.792 nan 8.270 nan 0.000 0.497 41 K N -0.348 120.107 120.400 0.091 0.000 2.155 41 K HA 0.224 4.545 4.320 0.002 0.000 0.237 41 K C -0.265 176.399 176.600 0.107 0.000 1.040 41 K CA -0.289 56.059 56.287 0.102 0.000 0.912 41 K CB 0.310 32.880 32.500 0.117 0.000 1.137 41 K HN 0.825 nan 8.250 nan 0.000 0.498 42 T N -3.026 111.602 114.554 0.123 0.000 2.919 42 T HA 0.262 4.613 4.350 0.002 0.000 0.282 42 T C -0.690 174.138 174.700 0.213 0.000 1.020 42 T CA -0.746 61.437 62.100 0.138 0.000 0.994 42 T CB 0.470 69.411 68.868 0.123 0.000 1.180 42 T HN 0.471 nan 8.240 nan 0.000 0.566 43 Y N 2.647 123.010 120.300 0.104 0.000 2.556 43 Y HA 0.387 4.938 4.550 0.002 0.000 0.352 43 Y C 1.004 177.057 175.900 0.254 0.000 1.006 43 Y CA -0.546 57.656 58.100 0.171 0.000 1.277 43 Y CB -0.373 38.145 38.460 0.097 0.000 1.136 43 Y HN 1.009 nan 8.280 nan 0.000 0.523 44 T N 2.063 116.610 114.554 -0.011 0.000 2.788 44 T HA 0.074 4.425 4.350 0.002 0.000 0.280 44 T C 1.065 175.630 174.700 -0.225 0.000 0.984 44 T CA -0.546 61.571 62.100 0.029 0.000 0.972 44 T CB 0.975 69.839 68.868 -0.008 0.000 1.039 44 T HN 0.676 nan 8.240 nan 0.000 0.530 45 L N 0.790 121.719 121.223 -0.490 0.000 2.093 45 L HA 0.060 4.401 4.340 0.002 0.000 0.208 45 L C 2.543 179.235 176.870 -0.297 0.000 1.085 45 L CA 2.037 56.420 54.840 -0.761 0.000 0.755 45 L CB -1.493 39.986 42.059 -0.966 0.000 0.904 45 L HN 0.939 nan 8.230 nan 0.000 0.435 46 T N -0.578 113.841 114.554 -0.226 0.000 2.867 46 T HA -0.122 4.229 4.350 0.002 0.000 0.268 46 T C 1.454 176.054 174.700 -0.167 0.000 1.057 46 T CA 1.299 63.305 62.100 -0.157 0.000 1.136 46 T CB -0.335 68.467 68.868 -0.109 0.000 0.874 46 T HN 0.404 nan 8.240 nan 0.000 0.466 47 D N 0.327 120.588 120.400 -0.233 0.000 2.117 47 D HA -0.088 4.553 4.640 0.002 0.000 0.197 47 D C 1.763 177.962 176.300 -0.169 0.000 0.987 47 D CA 1.043 54.885 54.000 -0.263 0.000 0.829 47 D CB -0.325 40.232 40.800 -0.406 0.000 0.961 47 D HN 0.408 nan 8.370 nan 0.000 0.460 48 Y N 1.672 121.766 120.300 -0.343 0.000 2.163 48 Y HA -0.104 4.447 4.550 0.002 0.000 0.288 48 Y C 2.212 178.108 175.900 -0.007 0.000 1.136 48 Y CA 1.184 59.259 58.100 -0.043 0.000 1.147 48 Y CB -0.558 37.920 38.460 0.031 0.000 0.987 48 Y HN -0.118 nan 8.280 nan 0.000 0.509 49 L N -0.074 120.979 121.223 -0.282 0.000 2.093 49 L HA -0.166 4.175 4.340 0.002 0.000 0.208 49 L C 2.058 178.817 176.870 -0.185 0.000 1.085 49 L CA 1.317 55.964 54.840 -0.323 0.000 0.755 49 L CB -0.473 41.469 42.059 -0.196 0.000 0.904 49 L HN 0.056 nan 8.230 nan 0.000 0.435 50 K N -0.039 120.279 120.400 -0.136 0.000 2.404 50 K HA 0.017 4.338 4.320 0.002 0.000 0.194 50 K C 0.179 176.730 176.600 -0.081 0.000 1.023 50 K CA -0.000 56.230 56.287 -0.096 0.000 1.094 50 K CB -0.480 31.965 32.500 -0.090 0.000 0.841 50 K HN 0.325 nan 8.250 nan 0.000 0.523 51 N N 1.652 120.310 118.700 -0.071 0.000 2.714 51 N HA -0.212 4.529 4.740 0.002 0.000 0.253 51 N C 0.463 175.962 175.510 -0.019 0.000 1.024 51 N CA 0.381 53.431 53.050 -0.001 0.000 0.726 51 N CB -0.432 38.048 38.487 -0.011 0.000 0.908 51 N HN 0.337 nan 8.380 nan 0.000 0.542 52 T N -2.726 111.768 114.554 -0.101 0.000 2.951 52 T HA -0.118 4.233 4.350 0.002 0.000 0.268 52 T C 0.537 175.054 174.700 -0.306 0.000 1.073 52 T CA 1.041 62.982 62.100 -0.266 0.000 1.134 52 T CB -0.121 68.463 68.868 -0.473 0.000 0.884 52 T HN 0.346 nan 8.240 nan 0.000 0.479 53 Y N 2.011 122.411 120.300 0.167 0.000 2.593 53 Y HA 0.634 5.185 4.550 0.002 0.000 0.331 53 Y C 0.443 176.447 175.900 0.173 0.000 0.986 53 Y CA -1.806 56.408 58.100 0.191 0.000 1.262 53 Y CB 0.473 39.107 38.460 0.290 0.000 1.098 53 Y HN 0.020 nan 8.280 nan 0.000 0.506 54 R N 2.552 123.187 120.500 0.225 0.000 2.349 54 R HA 0.554 4.895 4.340 0.002 0.000 0.299 54 R C -1.154 175.248 176.300 0.170 0.000 1.027 54 R CA -0.349 55.852 56.100 0.168 0.000 0.958 54 R CB 0.595 30.954 30.300 0.099 0.000 1.047 54 R HN 0.680 nan 8.270 nan 0.000 0.468 55 L N 4.208 125.531 121.223 0.166 0.000 2.326 55 L HA 0.355 4.697 4.340 0.002 0.000 0.278 55 L C 0.218 177.165 176.870 0.129 0.000 1.092 55 L CA -0.295 54.643 54.840 0.164 0.000 0.810 55 L CB 1.286 43.461 42.059 0.193 0.000 1.153 55 L HN 0.537 nan 8.230 nan 0.000 0.439 56 K N 3.754 124.229 120.400 0.125 0.000 2.143 56 K HA 0.643 4.964 4.320 0.002 0.000 0.272 56 K C -0.738 175.916 176.600 0.089 0.000 1.001 56 K CA -0.456 55.887 56.287 0.095 0.000 0.915 56 K CB 1.352 33.906 32.500 0.091 0.000 1.047 56 K HN 0.401 nan 8.250 nan 0.000 0.458 57 L N 1.123 122.332 121.223 -0.025 0.000 2.211 57 L HA 0.520 4.861 4.340 0.002 0.000 0.259 57 L C -0.897 175.748 176.870 -0.376 0.000 1.031 57 L CA -1.140 53.544 54.840 -0.260 0.000 0.877 57 L CB 0.777 42.762 42.059 -0.123 0.000 1.457 57 L HN 0.568 nan 8.230 nan 0.000 0.466 58 Y N 0.199 120.014 120.300 -0.808 0.000 2.520 58 Y HA 0.302 4.853 4.550 0.002 0.000 0.339 58 Y C -0.738 174.974 175.900 -0.314 0.000 1.113 58 Y CA -0.446 57.353 58.100 -0.503 0.000 1.255 58 Y CB 1.175 39.199 38.460 -0.727 0.000 1.099 58 Y HN 0.429 nan 8.280 nan 0.000 0.628 59 S N 5.335 120.908 115.700 -0.212 0.000 2.400 59 S HA 0.487 4.958 4.470 0.002 0.000 0.295 59 S C -0.610 173.892 174.600 -0.163 0.000 1.113 59 S CA -0.495 57.622 58.200 -0.138 0.000 1.064 59 S CB -0.225 62.922 63.200 -0.089 0.000 0.990 59 S HN 0.529 nan 8.310 nan 0.000 0.502 60 L N 1.187 122.275 121.223 -0.226 0.000 2.330 60 L HA 0.785 5.126 4.340 0.002 0.000 0.271 60 L C -0.147 176.589 176.870 -0.223 0.000 1.013 60 L CA -0.834 53.819 54.840 -0.312 0.000 0.816 60 L CB 0.817 42.360 42.059 -0.860 0.000 1.287 60 L HN 0.251 nan 8.230 nan 0.000 0.435 61 R N 1.766 122.191 120.500 -0.124 0.000 2.358 61 R HA 0.300 4.641 4.340 0.002 0.000 0.309 61 R C -1.704 174.634 176.300 0.063 0.000 1.026 61 R CA -0.606 55.492 56.100 -0.003 0.000 0.909 61 R CB 0.555 30.875 30.300 0.034 0.000 1.153 61 R HN 0.858 nan 8.270 nan 0.000 0.515 62 W N 5.319 126.714 121.300 0.157 0.000 2.264 62 W HA 0.060 4.721 4.660 0.002 0.000 0.331 62 W C 1.768 178.368 176.519 0.134 0.000 1.364 62 W CA -0.298 57.161 57.345 0.190 0.000 1.253 62 W CB 0.489 30.058 29.460 0.182 0.000 1.215 62 W HN 0.560 nan 8.180 nan 0.000 0.561 63 I N 0.473 121.266 120.570 0.371 0.000 4.082 63 I HA 0.312 4.483 4.170 0.002 0.000 0.337 63 I C 0.664 176.918 176.117 0.228 0.000 1.352 63 I CA -0.081 61.344 61.300 0.207 0.000 1.097 63 I CB -0.255 37.786 38.000 0.068 0.000 1.048 63 I HN 0.297 nan 8.210 nan 0.000 0.393 64 S N -0.243 115.653 115.700 0.326 0.000 2.761 64 S HA 0.235 4.706 4.470 0.002 0.000 0.290 64 S C -0.379 174.357 174.600 0.227 0.000 1.222 64 S CA -0.148 58.215 58.200 0.271 0.000 0.954 64 S CB 1.330 64.715 63.200 0.309 0.000 1.281 64 S HN 0.080 nan 8.310 nan 0.000 0.527 65 D N -0.873 119.605 120.400 0.130 0.000 2.340 65 D HA 0.338 4.979 4.640 0.002 0.000 0.217 65 D C 0.627 176.705 176.300 -0.370 0.000 1.081 65 D CA 0.501 54.368 54.000 -0.221 0.000 0.842 65 D CB 0.005 40.589 40.800 -0.360 0.000 0.934 65 D HN 0.590 nan 8.370 nan 0.000 0.511 66 H N -1.827 117.448 119.070 0.342 0.000 3.734 66 H HA 0.418 4.975 4.556 0.002 0.000 0.253 66 H C -0.180 175.372 175.328 0.372 0.000 1.072 66 H CA -0.281 56.020 56.048 0.422 0.000 1.147 66 H CB 0.678 30.609 29.762 0.282 0.000 1.495 66 H HN -0.030 nan 8.280 nan 0.000 0.588 67 E N 0.810 121.307 120.200 0.496 0.000 2.288 67 E HA 0.412 4.764 4.350 0.002 0.000 0.268 67 E C -1.455 175.356 176.600 0.351 0.000 0.885 67 E CA -1.230 55.345 56.400 0.291 0.000 0.767 67 E CB 2.847 32.641 29.700 0.156 0.000 1.220 67 E HN 0.213 nan 8.360 nan 0.000 0.427 68 Y N -0.500 119.846 120.300 0.076 0.000 2.581 68 Y HA 0.617 5.168 4.550 0.002 0.000 0.345 68 Y C -1.592 174.268 175.900 -0.066 0.000 1.036 68 Y CA -1.407 56.613 58.100 -0.134 0.000 1.042 68 Y CB 0.863 38.872 38.460 -0.751 0.000 1.289 68 Y HN 0.333 nan 8.280 nan 0.000 0.471 69 L N 3.314 124.630 121.223 0.155 0.000 2.282 69 L HA 0.327 4.668 4.340 0.002 0.000 0.288 69 L C -1.283 175.735 176.870 0.246 0.000 1.033 69 L CA -0.913 53.974 54.840 0.079 0.000 0.807 69 L CB 1.210 43.170 42.059 -0.164 0.000 1.209 69 L HN 0.746 nan 8.230 nan 0.000 0.423 70 Y N 4.540 124.940 120.300 0.166 0.000 2.854 70 Y HA 0.297 4.848 4.550 0.002 0.000 0.330 70 Y C -0.008 175.869 175.900 -0.038 0.000 1.037 70 Y CA -1.216 56.902 58.100 0.030 0.000 1.263 70 Y CB 0.260 38.792 38.460 0.119 0.000 1.120 70 Y HN 0.429 nan 8.280 nan 0.000 0.532 71 K N 4.296 124.491 120.400 -0.342 0.000 2.414 71 K HA 0.120 4.441 4.320 0.002 0.000 0.272 71 K C -0.205 176.044 176.600 -0.586 0.000 0.993 71 K CA 0.047 56.104 56.287 -0.383 0.000 0.964 71 K CB 0.857 33.172 32.500 -0.308 0.000 0.925 71 K HN 0.682 nan 8.250 nan 0.000 0.487 72 Q N 0.682 120.249 119.800 -0.388 0.000 2.814 72 Q HA 0.076 4.417 4.340 0.002 0.000 0.283 72 Q C 0.617 176.499 176.000 -0.197 0.000 1.071 72 Q CA -0.649 54.950 55.803 -0.340 0.000 0.849 72 Q CB 1.219 29.826 28.738 -0.219 0.000 1.437 72 Q HN 0.654 nan 8.270 nan 0.000 0.492 73 E N -0.138 119.982 120.200 -0.134 0.000 2.333 73 E HA -0.194 4.157 4.350 0.002 0.000 0.198 73 E C 0.475 177.049 176.600 -0.044 0.000 1.007 73 E CA 1.149 57.505 56.400 -0.073 0.000 0.845 73 E CB 0.372 30.042 29.700 -0.050 0.000 0.766 73 E HN 0.377 nan 8.360 nan 0.000 0.507 74 N N -0.122 118.544 118.700 -0.057 0.000 3.048 74 N HA 0.010 4.751 4.740 0.002 0.000 0.225 74 N C -0.199 175.280 175.510 -0.051 0.000 1.103 74 N CA 0.286 53.316 53.050 -0.034 0.000 1.182 74 N CB -0.159 38.310 38.487 -0.030 0.000 1.553 74 N HN 0.093 nan 8.380 nan 0.000 0.584 75 N N 0.828 119.486 118.700 -0.069 0.000 2.456 75 N HA 0.404 5.145 4.740 0.002 0.000 0.296 75 N C -0.678 174.768 175.510 -0.107 0.000 1.102 75 N CA -0.392 52.609 53.050 -0.081 0.000 0.924 75 N CB 1.406 39.855 38.487 -0.063 0.000 1.186 75 N HN 0.155 nan 8.380 nan 0.000 0.492 76 I N 1.152 121.659 120.570 -0.104 0.000 2.371 76 I HA 0.207 4.378 4.170 0.002 0.000 0.290 76 I C -0.081 176.035 176.117 -0.002 0.000 1.028 76 I CA -0.631 60.614 61.300 -0.093 0.000 1.345 76 I CB 0.438 38.375 38.000 -0.104 0.000 1.407 76 I HN 0.313 nan 8.210 nan 0.000 0.501 77 L N 6.502 127.725 121.223 -0.001 0.000 2.332 77 L HA 0.635 4.976 4.340 0.002 0.000 0.269 77 L C -0.409 176.429 176.870 -0.053 0.000 1.016 77 L CA -0.998 53.818 54.840 -0.040 0.000 0.809 77 L CB 2.141 44.141 42.059 -0.099 0.000 1.280 77 L HN 0.296 nan 8.230 nan 0.000 0.447 78 V N 1.261 121.067 119.914 -0.181 0.000 2.495 78 V HA 0.517 4.638 4.120 0.002 0.000 0.298 78 V C -1.133 174.716 176.094 -0.408 0.000 1.031 78 V CA -0.242 61.953 62.300 -0.175 0.000 0.871 78 V CB 1.585 33.388 31.823 -0.035 0.000 0.988 78 V HN 0.441 nan 8.190 nan 0.000 0.432 79 F N 5.018 124.714 119.950 -0.424 0.000 2.492 79 F HA 0.513 5.041 4.527 0.002 0.000 0.327 79 F C 0.463 175.982 175.800 -0.468 0.000 1.079 79 F CA -0.530 57.138 58.000 -0.553 0.000 0.967 79 F CB 1.778 40.135 39.000 -1.072 0.000 1.169 79 F HN 0.496 nan 8.300 nan 0.000 0.472 80 N N 2.026 120.682 118.700 -0.072 0.000 2.439 80 N HA 0.256 4.997 4.740 0.002 0.000 0.249 80 N C 0.475 175.943 175.510 -0.069 0.000 1.003 80 N CA 0.105 53.144 53.050 -0.019 0.000 0.942 80 N CB 1.724 40.248 38.487 0.061 0.000 1.115 80 N HN 0.812 nan 8.380 nan 0.000 0.505 81 A N 3.765 126.509 122.820 -0.126 0.000 1.908 81 A HA -0.220 4.101 4.320 0.002 0.000 0.218 81 A C 1.911 179.180 177.584 -0.526 0.000 1.181 81 A CA 1.787 53.634 52.037 -0.317 0.000 0.627 81 A CB -0.462 18.231 19.000 -0.512 0.000 0.818 81 A HN 0.809 nan 8.150 nan 0.000 0.445 82 E N -0.828 119.068 120.200 -0.506 0.000 2.012 82 E HA -0.202 4.149 4.350 0.002 0.000 0.197 82 E C 1.583 177.887 176.600 -0.493 0.000 1.007 82 E CA 2.110 58.215 56.400 -0.493 0.000 0.816 82 E CB -0.465 28.902 29.700 -0.556 0.000 0.762 82 E HN 0.685 nan 8.360 nan 0.000 0.451 83 Y N -1.769 118.522 120.300 -0.015 0.000 2.503 83 Y HA 0.357 4.908 4.550 0.002 0.000 0.277 83 Y C 1.812 177.706 175.900 -0.010 0.000 1.102 83 Y CA 0.526 58.622 58.100 -0.007 0.000 1.261 83 Y CB 0.672 39.136 38.460 0.005 0.000 1.096 83 Y HN 0.304 nan 8.280 nan 0.000 0.546 84 G N 0.239 109.104 108.800 0.108 0.000 2.195 84 G HA2 -0.295 3.666 3.960 0.002 0.000 0.224 84 G HA3 -0.295 3.666 3.960 0.002 0.000 0.224 84 G C 0.067 175.081 174.900 0.190 0.000 0.990 84 G CA -0.016 45.160 45.100 0.126 0.000 0.639 84 G HN 0.422 nan 8.290 nan 0.000 0.514 85 N N 1.130 119.905 118.700 0.126 0.000 2.374 85 N HA 0.427 5.169 4.740 0.002 0.000 0.241 85 N C 0.149 175.608 175.510 -0.084 0.000 1.262 85 N CA 1.004 54.077 53.050 0.038 0.000 0.880 85 N CB 1.121 39.621 38.487 0.023 0.000 1.105 85 N HN 1.131 nan 8.380 nan 0.000 0.438 86 S N -0.900 114.656 115.700 -0.240 0.000 2.627 86 S HA 0.793 5.264 4.470 0.002 0.000 0.283 86 S C -0.863 173.534 174.600 -0.337 0.000 1.127 86 S CA -0.827 57.041 58.200 -0.553 0.000 0.863 86 S CB 1.639 64.058 63.200 -1.301 0.000 1.121 86 S HN 0.663 nan 8.310 nan 0.000 0.479 87 S N -0.220 115.284 115.700 -0.326 0.000 2.685 87 S HA 0.683 5.154 4.470 0.002 0.000 0.282 87 S C -1.147 173.359 174.600 -0.155 0.000 1.159 87 S CA -0.782 57.309 58.200 -0.181 0.000 0.833 87 S CB 1.433 64.566 63.200 -0.111 0.000 1.151 87 S HN 0.776 nan 8.310 nan 0.000 0.485 88 V N 2.170 122.028 119.914 -0.093 0.000 2.407 88 V HA 0.316 4.437 4.120 0.002 0.000 0.278 88 V C 0.287 176.380 176.094 -0.002 0.000 1.037 88 V CA -0.185 62.081 62.300 -0.056 0.000 0.900 88 V CB 0.704 32.486 31.823 -0.068 0.000 0.983 88 V HN 0.929 nan 8.190 nan 0.000 0.459 89 F N 5.880 125.763 119.950 -0.111 0.000 2.187 89 F HA 0.230 4.758 4.527 0.002 0.000 0.295 89 F C 0.528 176.285 175.800 -0.073 0.000 1.091 89 F CA 0.835 58.784 58.000 -0.085 0.000 1.308 89 F CB 0.557 39.512 39.000 -0.075 0.000 1.030 89 F HN 0.373 nan 8.300 nan 0.000 0.487 90 L N -0.146 121.066 121.223 -0.018 0.000 2.705 90 L HA 0.430 4.771 4.340 0.002 0.000 0.260 90 L C -1.125 175.680 176.870 -0.108 0.000 0.921 90 L CA -0.981 53.787 54.840 -0.121 0.000 0.948 90 L CB 0.533 42.532 42.059 -0.100 0.000 1.427 90 L HN -0.201 nan 8.230 nan 0.000 0.432 91 E N 2.357 122.466 120.200 -0.152 0.000 2.415 91 E HA 0.156 4.507 4.350 0.002 0.000 0.262 91 E C 1.424 177.938 176.600 -0.142 0.000 1.038 91 E CA 0.673 56.991 56.400 -0.136 0.000 0.921 91 E CB 0.855 30.473 29.700 -0.137 0.000 0.950 91 E HN 0.730 nan 8.360 nan 0.000 0.438 92 N N 1.276 119.925 118.700 -0.084 0.000 2.223 92 N HA -0.211 4.531 4.740 0.002 0.000 0.185 92 N C 1.185 176.665 175.510 -0.050 0.000 1.016 92 N CA 1.442 54.469 53.050 -0.039 0.000 0.863 92 N CB -0.289 38.184 38.487 -0.023 0.000 0.983 92 N HN 0.381 nan 8.380 nan 0.000 0.429 93 S N 0.103 115.751 115.700 -0.087 0.000 2.481 93 S HA -0.030 4.441 4.470 0.002 0.000 0.231 93 S C 1.738 176.232 174.600 -0.176 0.000 0.996 93 S CA 0.857 59.004 58.200 -0.089 0.000 0.942 93 S CB -0.720 62.435 63.200 -0.076 0.000 0.768 93 S HN 0.250 nan 8.310 nan 0.000 0.520 94 T N 1.606 115.957 114.554 -0.338 0.000 2.802 94 T HA -0.082 4.269 4.350 0.002 0.000 0.269 94 T C 0.265 174.455 174.700 -0.851 0.000 1.062 94 T CA 1.425 63.115 62.100 -0.684 0.000 1.133 94 T CB -0.457 67.757 68.868 -1.089 0.000 0.852 94 T HN 0.613 nan 8.240 nan 0.000 0.485 95 F N 0.268 120.174 119.950 -0.073 0.000 2.791 95 F HA 0.345 4.873 4.527 0.002 0.000 0.316 95 F C 1.127 176.939 175.800 0.021 0.000 1.134 95 F CA -1.454 56.522 58.000 -0.040 0.000 1.222 95 F CB 0.088 39.004 39.000 -0.140 0.000 1.034 95 F HN -0.048 nan 8.300 nan 0.000 0.516 96 D N 1.320 121.780 120.400 0.100 0.000 2.172 96 D HA -0.202 4.439 4.640 0.002 0.000 0.196 96 D C 1.121 177.475 176.300 0.090 0.000 0.999 96 D CA 1.598 55.644 54.000 0.075 0.000 0.856 96 D CB -0.032 40.782 40.800 0.024 0.000 0.934 96 D HN 0.559 nan 8.370 nan 0.000 0.453 97 E N -0.287 119.976 120.200 0.105 0.000 2.947 97 E HA 0.072 4.423 4.350 0.002 0.000 0.229 97 E C 0.509 177.180 176.600 0.118 0.000 1.158 97 E CA -0.447 55.998 56.400 0.074 0.000 1.441 97 E CB -0.273 29.449 29.700 0.037 0.000 1.414 97 E HN 0.076 nan 8.360 nan 0.000 0.432 98 F N 1.794 121.747 119.950 0.004 0.000 2.512 98 F HA 0.243 4.771 4.527 0.002 0.000 0.296 98 F C 1.621 177.327 175.800 -0.157 0.000 1.110 98 F CA 1.182 59.156 58.000 -0.042 0.000 1.446 98 F CB 0.274 39.220 39.000 -0.090 0.000 1.092 98 F HN 0.407 nan 8.300 nan 0.000 0.554 99 G N 0.345 109.005 108.800 -0.235 0.000 2.148 99 G HA2 -0.252 3.709 3.960 0.002 0.000 0.254 99 G HA3 -0.252 3.709 3.960 0.002 0.000 0.254 99 G C -0.068 174.370 174.900 -0.770 0.000 0.981 99 G CA 0.507 45.316 45.100 -0.484 0.000 0.670 99 G HN 0.567 nan 8.290 nan 0.000 0.528 100 H N -1.074 117.931 119.070 -0.108 0.000 3.064 100 H HA 0.532 5.089 4.556 0.002 0.000 0.352 100 H C -0.700 174.713 175.328 0.141 0.000 1.260 100 H CA -0.087 55.959 56.048 -0.004 0.000 1.160 100 H CB 1.320 30.963 29.762 -0.198 0.000 1.879 100 H HN 0.185 nan 8.280 nan 0.000 0.544 101 S N 1.749 117.590 115.700 0.236 0.000 2.499 101 S HA 0.383 4.854 4.470 0.002 0.000 0.275 101 S C 0.110 174.751 174.600 0.068 0.000 1.257 101 S CA -0.634 57.638 58.200 0.119 0.000 1.050 101 S CB -0.386 62.865 63.200 0.086 0.000 0.937 101 S HN 0.356 nan 8.310 nan 0.000 0.490 102 I N 6.009 126.529 120.570 -0.082 0.000 2.304 102 I HA 0.251 4.422 4.170 0.002 0.000 0.291 102 I C 1.254 177.237 176.117 -0.223 0.000 1.018 102 I CA -0.474 60.664 61.300 -0.270 0.000 1.260 102 I CB 1.005 38.612 38.000 -0.654 0.000 1.390 102 I HN 0.742 nan 8.210 nan 0.000 0.475 103 N N 4.398 122.992 118.700 -0.177 0.000 2.280 103 N HA 0.062 4.803 4.740 0.002 0.000 0.192 103 N C -0.263 175.165 175.510 -0.136 0.000 1.109 103 N CA 0.146 53.105 53.050 -0.151 0.000 0.855 103 N CB 0.822 39.195 38.487 -0.189 0.000 0.974 103 N HN 0.539 nan 8.380 nan 0.000 0.482 104 D N -0.732 119.554 120.400 -0.190 0.000 2.745 104 D HA 0.233 4.874 4.640 0.002 0.000 0.221 104 D C -1.651 174.594 176.300 -0.092 0.000 1.237 104 D CA -0.343 53.637 54.000 -0.032 0.000 0.781 104 D CB 1.188 42.004 40.800 0.027 0.000 1.575 104 D HN -0.120 nan 8.370 nan 0.000 0.482 105 Y N 0.098 120.422 120.300 0.039 0.000 2.587 105 Y HA 0.630 5.181 4.550 0.002 0.000 0.337 105 Y C 0.457 176.445 175.900 0.147 0.000 1.065 105 Y CA -1.063 57.084 58.100 0.078 0.000 1.126 105 Y CB 2.136 40.636 38.460 0.067 0.000 1.279 105 Y HN 0.159 nan 8.280 nan 0.000 0.489 106 S N 1.777 117.713 115.700 0.393 0.000 2.385 106 S HA 0.445 4.916 4.470 0.002 0.000 0.191 106 S C -1.198 173.681 174.600 0.466 0.000 1.196 106 S CA -0.483 57.951 58.200 0.389 0.000 1.178 106 S CB -0.578 62.852 63.200 0.383 0.000 1.258 106 S HN 0.572 nan 8.310 nan 0.000 0.430 107 I N 4.240 124.970 120.570 0.267 0.000 2.618 107 I HA 0.117 4.288 4.170 0.002 0.000 0.284 107 I C 1.191 177.195 176.117 -0.189 0.000 1.146 107 I CA -0.083 61.293 61.300 0.127 0.000 1.425 107 I CB 0.866 38.913 38.000 0.079 0.000 1.383 107 I HN 0.695 nan 8.210 nan 0.000 0.562 108 S N 8.047 123.362 115.700 -0.641 0.000 2.568 108 S HA 0.118 4.589 4.470 0.002 0.000 0.282 108 S C -1.387 172.921 174.600 -0.486 0.000 1.338 108 S CA -1.035 56.392 58.200 -1.288 0.000 1.045 108 S CB 0.445 62.707 63.200 -1.564 0.000 0.873 108 S HN 0.571 nan 8.310 nan 0.000 0.516 109 P HA 0.025 nan 4.420 nan 0.000 0.244 109 P C -0.083 177.170 177.300 -0.079 0.000 1.211 109 P CA 0.632 63.664 63.100 -0.113 0.000 0.760 109 P CB 0.013 31.683 31.700 -0.050 0.000 0.961 110 D N -0.385 119.935 120.400 -0.132 0.000 2.277 110 D HA 0.126 4.767 4.640 0.002 0.000 0.209 110 D C 1.772 178.026 176.300 -0.076 0.000 0.970 110 D CA 1.353 55.306 54.000 -0.077 0.000 0.874 110 D CB -0.321 40.436 40.800 -0.071 0.000 0.982 110 D HN 0.136 nan 8.370 nan 0.000 0.504 111 G N 0.558 109.317 108.800 -0.067 0.000 2.162 111 G HA2 -0.371 3.590 3.960 0.002 0.000 0.260 111 G HA3 -0.371 3.590 3.960 0.002 0.000 0.260 111 G C 1.030 175.894 174.900 -0.059 0.000 0.976 111 G CA 0.699 45.826 45.100 0.046 0.000 0.655 111 G HN 0.390 nan 8.290 nan 0.000 0.533 112 Q N -1.601 118.062 119.800 -0.228 0.000 2.349 112 Q HA 0.408 4.749 4.340 0.002 0.000 0.209 112 Q C 0.249 175.761 176.000 -0.812 0.000 0.920 112 Q CA 0.621 56.087 55.803 -0.562 0.000 0.901 112 Q CB 0.467 28.759 28.738 -0.743 0.000 1.021 112 Q HN 0.533 nan 8.270 nan 0.000 0.519 113 F N -0.393 119.502 119.950 -0.091 0.000 2.603 113 F HA 0.516 5.044 4.527 0.002 0.000 0.317 113 F C -0.500 175.385 175.800 0.142 0.000 1.066 113 F CA -1.053 56.969 58.000 0.038 0.000 0.941 113 F CB 1.570 40.627 39.000 0.096 0.000 1.291 113 F HN -0.236 nan 8.300 nan 0.000 0.472 114 I N 2.940 123.846 120.570 0.561 0.000 2.447 114 I HA 0.309 4.480 4.170 0.002 0.000 0.287 114 I C -1.381 175.068 176.117 0.552 0.000 1.023 114 I CA -0.852 60.766 61.300 0.529 0.000 1.083 114 I CB 1.981 40.294 38.000 0.521 0.000 1.245 114 I HN 0.293 nan 8.210 nan 0.000 0.434 115 L N 7.756 129.325 121.223 0.578 0.000 2.265 115 L HA 0.456 4.797 4.340 0.002 0.000 0.288 115 L C -0.789 176.232 176.870 0.251 0.000 1.058 115 L CA 0.050 55.136 54.840 0.411 0.000 0.809 115 L CB 0.730 42.995 42.059 0.343 0.000 1.179 115 L HN 0.435 nan 8.230 nan 0.000 0.429 116 L N 5.274 126.570 121.223 0.122 0.000 2.280 116 L HA 0.473 4.814 4.340 0.002 0.000 0.287 116 L C -0.011 176.861 176.870 0.003 0.000 1.023 116 L CA -0.364 54.394 54.840 -0.136 0.000 0.819 116 L CB 1.417 43.153 42.059 -0.539 0.000 1.212 116 L HN 0.606 nan 8.230 nan 0.000 0.420 117 E N 4.252 124.397 120.200 -0.091 0.000 2.197 117 E HA 0.432 4.783 4.350 0.002 0.000 0.281 117 E C -1.611 174.925 176.600 -0.107 0.000 0.995 117 E CA -0.483 55.764 56.400 -0.255 0.000 0.808 117 E CB 1.144 30.767 29.700 -0.127 0.000 1.093 117 E HN 0.448 nan 8.360 nan 0.000 0.394 118 Y N 1.440 121.520 120.300 -0.368 0.000 2.744 118 Y HA 0.415 4.966 4.550 0.002 0.000 0.330 118 Y C -0.260 175.531 175.900 -0.182 0.000 1.263 118 Y CA -1.719 56.262 58.100 -0.199 0.000 1.065 118 Y CB 0.381 38.792 38.460 -0.081 0.000 1.306 118 Y HN 0.543 nan 8.280 nan 0.000 0.459 119 N N -0.506 118.156 118.700 -0.063 0.000 2.735 119 N HA -0.291 4.450 4.740 0.002 0.000 0.248 119 N C -0.972 174.483 175.510 -0.093 0.000 1.083 119 N CA 0.966 53.936 53.050 -0.134 0.000 0.703 119 N CB -1.577 36.701 38.487 -0.348 0.000 1.005 119 N HN 0.865 nan 8.380 nan 0.000 0.550 120 Y N 0.296 120.513 120.300 -0.138 0.000 2.620 120 Y HA 0.236 4.787 4.550 0.002 0.000 0.330 120 Y C 0.220 176.082 175.900 -0.063 0.000 1.186 120 Y CA 0.231 58.259 58.100 -0.120 0.000 1.467 120 Y CB 0.715 39.066 38.460 -0.181 0.000 1.262 120 Y HN -0.002 nan 8.280 nan 0.000 0.550 121 V N 8.005 127.561 119.914 -0.596 0.000 2.498 121 V HA 0.162 4.283 4.120 0.002 0.000 0.283 121 V C -0.348 175.393 176.094 -0.589 0.000 1.015 121 V CA -1.365 60.683 62.300 -0.420 0.000 0.867 121 V CB 1.166 32.862 31.823 -0.211 0.000 1.025 121 V HN 0.761 nan 8.190 nan 0.000 0.441 122 K N 3.546 123.601 120.400 -0.576 0.000 2.414 122 K HA 0.196 4.517 4.320 0.002 0.000 0.272 122 K C 0.456 176.916 176.600 -0.234 0.000 0.993 122 K CA 0.372 56.471 56.287 -0.313 0.000 0.964 122 K CB 1.243 33.766 32.500 0.039 0.000 0.925 122 K HN 0.784 nan 8.250 nan 0.000 0.487 123 Q N 2.872 122.518 119.800 -0.258 0.000 2.653 123 Q HA 0.183 4.524 4.340 0.002 0.000 0.212 123 Q C 0.007 175.816 176.000 -0.319 0.000 0.951 123 Q CA -0.456 55.011 55.803 -0.560 0.000 0.535 123 Q CB 0.106 28.319 28.738 -0.874 0.000 3.737 123 Q HN 0.743 nan 8.270 nan 0.000 0.401 124 W N 0.346 121.666 121.300 0.034 0.000 1.705 124 W HA 0.360 5.021 4.660 0.002 0.000 0.634 124 W C 1.910 178.447 176.519 0.031 0.000 1.570 124 W CA -0.688 56.711 57.345 0.089 0.000 1.631 124 W CB -0.142 29.354 29.460 0.060 0.000 3.266 124 W HN 0.290 nan 8.180 nan 0.000 0.778 125 R N -0.640 119.998 120.500 0.230 0.000 2.090 125 R HA -0.122 4.219 4.340 0.002 0.000 0.228 125 R C 1.750 177.935 176.300 -0.192 0.000 1.110 125 R CA 1.591 57.649 56.100 -0.070 0.000 0.973 125 R CB -0.316 29.796 30.300 -0.314 0.000 0.869 125 R HN 0.495 nan 8.270 nan 0.000 0.440 126 H N -1.164 118.003 119.070 0.163 0.000 2.594 126 H HA 0.147 4.704 4.556 0.002 0.000 0.274 126 H C 0.701 176.142 175.328 0.187 0.000 0.982 126 H CA 0.536 56.696 56.048 0.186 0.000 1.228 126 H CB 0.063 29.907 29.762 0.135 0.000 1.447 126 H HN 0.131 nan 8.280 nan 0.000 0.485 127 S N 1.347 117.063 115.700 0.026 0.000 2.585 127 S HA 0.353 4.824 4.470 0.002 0.000 0.273 127 S C -0.294 174.161 174.600 -0.241 0.000 1.339 127 S CA -0.427 57.468 58.200 -0.508 0.000 1.028 127 S CB 0.584 62.863 63.200 -1.535 0.000 0.906 127 S HN 0.455 nan 8.310 nan 0.000 0.528 128 Y N -2.220 117.914 120.300 -0.276 0.000 2.732 128 Y HA 0.641 5.192 4.550 0.002 0.000 0.342 128 Y C -0.818 175.040 175.900 -0.071 0.000 1.203 128 Y CA -0.859 57.083 58.100 -0.264 0.000 1.092 128 Y CB 0.480 38.719 38.460 -0.368 0.000 1.345 128 Y HN 0.896 nan 8.280 nan 0.000 0.458 129 T N 0.029 114.602 114.554 0.031 0.000 2.932 129 T HA 1.025 5.376 4.350 0.002 0.000 0.289 129 T C -0.436 174.322 174.700 0.096 0.000 1.039 129 T CA -0.085 62.053 62.100 0.065 0.000 1.024 129 T CB 1.773 70.639 68.868 -0.004 0.000 1.090 129 T HN 1.922 nan 8.240 nan 0.000 0.496 130 A N 0.911 123.764 122.820 0.056 0.000 2.536 130 A HA 0.780 5.101 4.320 0.002 0.000 0.293 130 A C -0.699 176.657 177.584 -0.380 0.000 1.119 130 A CA -0.983 50.944 52.037 -0.183 0.000 0.654 130 A CB 0.955 19.825 19.000 -0.217 0.000 1.291 130 A HN 0.862 nan 8.150 nan 0.000 0.439 131 S N -0.727 114.503 115.700 -0.782 0.000 2.549 131 S HA 0.789 5.260 4.470 0.002 0.000 0.297 131 S C -1.621 172.373 174.600 -1.010 0.000 1.115 131 S CA -0.064 57.600 58.200 -0.893 0.000 1.059 131 S CB 0.717 63.066 63.200 -1.418 0.000 1.046 131 S HN 0.436 nan 8.310 nan 0.000 0.506 132 Y N 0.422 120.555 120.300 -0.279 0.000 2.442 132 Y HA 0.455 5.006 4.550 0.002 0.000 0.344 132 Y C -0.325 175.639 175.900 0.106 0.000 0.976 132 Y CA -0.892 57.185 58.100 -0.039 0.000 1.040 132 Y CB 1.728 40.093 38.460 -0.159 0.000 1.228 132 Y HN 0.492 nan 8.280 nan 0.000 0.451 133 D N 3.109 123.723 120.400 0.358 0.000 2.646 133 D HA 0.488 5.129 4.640 0.002 0.000 0.245 133 D C -0.849 175.577 176.300 0.209 0.000 1.099 133 D CA -0.326 53.839 54.000 0.276 0.000 0.849 133 D CB 2.648 43.675 40.800 0.378 0.000 1.448 133 D HN 0.421 nan 8.370 nan 0.000 0.489 134 I N 2.304 122.990 120.570 0.194 0.000 2.336 134 I HA 0.188 4.359 4.170 0.002 0.000 0.292 134 I C -0.714 175.614 176.117 0.351 0.000 0.991 134 I CA -0.853 60.599 61.300 0.253 0.000 1.227 134 I CB 1.015 39.102 38.000 0.145 0.000 1.366 134 I HN 0.235 nan 8.210 nan 0.000 0.466 135 Y N 6.082 126.561 120.300 0.297 0.000 2.331 135 Y HA 0.256 4.807 4.550 0.002 0.000 0.338 135 Y C -0.044 176.091 175.900 0.391 0.000 0.992 135 Y CA -0.678 57.611 58.100 0.314 0.000 1.121 135 Y CB 1.009 39.668 38.460 0.332 0.000 1.184 135 Y HN 0.476 nan 8.280 nan 0.000 0.469 136 D N 6.369 126.719 120.400 -0.085 0.000 2.336 136 D HA 0.078 4.719 4.640 0.002 0.000 0.249 136 D C 0.720 176.783 176.300 -0.395 0.000 1.213 136 D CA 0.268 54.228 54.000 -0.065 0.000 0.870 136 D CB 1.006 41.811 40.800 0.008 0.000 1.076 136 D HN 0.879 nan 8.370 nan 0.000 0.483 137 L N 3.763 124.817 121.223 -0.281 0.000 2.201 137 L HA -0.137 4.204 4.340 0.002 0.000 0.212 137 L C 2.091 178.803 176.870 -0.263 0.000 1.105 137 L CA 0.371 55.086 54.840 -0.207 0.000 0.775 137 L CB -0.228 41.720 42.059 -0.184 0.000 0.913 137 L HN 0.387 nan 8.230 nan 0.000 0.440 138 N N 1.446 119.950 118.700 -0.327 0.000 2.022 138 N HA -0.179 4.562 4.740 0.002 0.000 0.195 138 N C 1.437 176.833 175.510 -0.189 0.000 1.063 138 N CA 1.580 54.478 53.050 -0.252 0.000 0.851 138 N CB -0.328 38.001 38.487 -0.263 0.000 1.050 138 N HN 0.439 nan 8.380 nan 0.000 0.425 139 K N 1.317 121.609 120.400 -0.181 0.000 2.505 139 K HA 0.211 4.532 4.320 0.002 0.000 0.192 139 K C -0.212 176.289 176.600 -0.165 0.000 1.025 139 K CA -0.075 56.129 56.287 -0.138 0.000 1.086 139 K CB 0.125 32.567 32.500 -0.097 0.000 0.840 139 K HN 0.095 nan 8.250 nan 0.000 0.514 140 R N 0.559 120.908 120.500 -0.252 0.000 3.502 140 R HA -0.210 4.131 4.340 0.002 0.000 0.266 140 R C -0.637 175.460 176.300 -0.337 0.000 1.077 140 R CA 0.679 56.607 56.100 -0.287 0.000 0.718 140 R CB -2.008 28.266 30.300 -0.043 0.000 1.120 140 R HN 0.409 nan 8.270 nan 0.000 0.457 141 Q N 0.327 119.861 119.800 -0.443 0.000 2.348 141 Q HA 0.574 4.915 4.340 0.002 0.000 0.271 141 Q C -0.778 175.090 176.000 -0.220 0.000 1.067 141 Q CA -0.727 54.952 55.803 -0.206 0.000 0.839 141 Q CB 1.671 30.356 28.738 -0.087 0.000 1.354 141 Q HN 0.327 nan 8.270 nan 0.000 0.447 142 L N 4.018 125.290 121.223 0.082 0.000 2.270 142 L HA 0.428 4.769 4.340 0.002 0.000 0.286 142 L C -0.572 176.385 176.870 0.146 0.000 1.059 142 L CA -0.460 54.524 54.840 0.239 0.000 0.839 142 L CB 0.415 42.702 42.059 0.379 0.000 1.221 142 L HN 0.685 nan 8.230 nan 0.000 0.431 143 I N 3.729 124.377 120.570 0.129 0.000 2.845 143 I HA -0.122 4.049 4.170 0.002 0.000 0.290 143 I C 1.417 177.579 176.117 0.074 0.000 1.202 143 I CA 0.588 61.941 61.300 0.088 0.000 1.406 143 I CB 0.584 38.631 38.000 0.078 0.000 1.383 143 I HN 0.659 nan 8.210 nan 0.000 0.549 144 T N 1.773 116.356 114.554 0.047 0.000 3.054 144 T HA 0.136 4.487 4.350 0.002 0.000 0.255 144 T C 0.406 175.106 174.700 -0.000 0.000 1.035 144 T CA -0.499 61.618 62.100 0.029 0.000 0.941 144 T CB 0.005 68.890 68.868 0.028 0.000 1.026 144 T HN 0.654 nan 8.240 nan 0.000 0.533 145 E N 1.179 121.374 120.200 -0.009 0.000 2.202 145 E HA 0.291 4.642 4.350 0.002 0.000 0.272 145 E C -0.654 175.913 176.600 -0.056 0.000 0.951 145 E CA -0.791 55.591 56.400 -0.030 0.000 0.813 145 E CB 0.943 30.630 29.700 -0.022 0.000 1.151 145 E HN 0.058 nan 8.360 nan 0.000 0.398 146 E N 0.643 120.797 120.200 -0.077 0.000 2.294 146 E HA -0.259 4.092 4.350 0.002 0.000 0.228 146 E C 0.003 176.520 176.600 -0.139 0.000 1.253 146 E CA 1.051 57.384 56.400 -0.112 0.000 0.716 146 E CB -1.576 28.061 29.700 -0.105 0.000 1.184 146 E HN 0.692 nan 8.360 nan 0.000 0.374 147 R N -0.576 119.843 120.500 -0.135 0.000 2.774 147 R HA 0.445 4.787 4.340 0.002 0.000 0.269 147 R C 0.784 176.920 176.300 -0.273 0.000 1.068 147 R CA -0.575 55.433 56.100 -0.154 0.000 1.180 147 R CB 0.469 30.716 30.300 -0.089 0.000 1.077 147 R HN 0.006 nan 8.270 nan 0.000 0.513 148 I N 2.264 122.634 120.570 -0.333 0.000 2.710 148 I HA 0.051 4.222 4.170 0.002 0.000 0.286 148 I C -1.707 174.101 176.117 -0.515 0.000 1.181 148 I CA -1.689 59.257 61.300 -0.589 0.000 1.430 148 I CB 0.437 38.083 38.000 -0.590 0.000 1.367 148 I HN 0.534 nan 8.210 nan 0.000 0.577 149 P HA 0.035 nan 4.420 nan 0.000 0.269 149 P C -0.853 176.238 177.300 -0.347 0.000 1.217 149 P CA -0.200 62.507 63.100 -0.654 0.000 0.783 149 P CB 0.372 31.264 31.700 -1.348 0.000 0.898 150 N N 2.077 120.661 118.700 -0.193 0.000 2.445 150 N HA 0.081 4.822 4.740 0.002 0.000 0.264 150 N C 0.228 175.787 175.510 0.082 0.000 1.227 150 N CA -0.029 52.962 53.050 -0.099 0.000 0.963 150 N CB -0.051 38.381 38.487 -0.091 0.000 1.188 150 N HN 0.413 nan 8.380 nan 0.000 0.491 151 N N -0.682 118.043 118.700 0.043 0.000 2.754 151 N HA -0.144 4.597 4.740 0.002 0.000 0.248 151 N C -0.841 174.815 175.510 0.243 0.000 1.093 151 N CA 0.741 53.856 53.050 0.109 0.000 0.699 151 N CB -1.654 36.901 38.487 0.113 0.000 1.016 151 N HN 0.484 nan 8.380 nan 0.000 0.552 152 T N 0.678 115.373 114.554 0.236 0.000 2.884 152 T HA 0.161 4.512 4.350 0.002 0.000 0.298 152 T C 1.737 176.578 174.700 0.236 0.000 0.998 152 T CA -0.090 62.183 62.100 0.287 0.000 1.124 152 T CB 1.474 70.418 68.868 0.125 0.000 0.931 152 T HN 0.155 nan 8.240 nan 0.000 0.531 153 Q N 1.610 121.545 119.800 0.225 0.000 2.163 153 Q HA 0.131 4.472 4.340 0.002 0.000 0.198 153 Q C 0.226 176.372 176.000 0.244 0.000 0.954 153 Q CA 0.607 56.552 55.803 0.237 0.000 0.851 153 Q CB 0.669 29.496 28.738 0.149 0.000 0.928 153 Q HN 0.679 nan 8.270 nan 0.000 0.459 154 W N -0.065 121.179 121.300 -0.093 0.000 3.296 154 W HA 0.505 5.166 4.660 0.002 0.000 0.314 154 W C -2.174 174.251 176.519 -0.157 0.000 1.238 154 W CA -0.634 56.616 57.345 -0.158 0.000 1.193 154 W CB 1.496 30.802 29.460 -0.258 0.000 1.383 154 W HN -0.327 nan 8.180 nan 0.000 0.545 155 V N 3.159 122.424 119.914 -1.082 0.000 2.932 155 V HA 0.683 4.804 4.120 0.002 0.000 0.307 155 V C -0.551 174.956 176.094 -0.978 0.000 1.147 155 V CA -0.592 61.192 62.300 -0.861 0.000 0.951 155 V CB 1.854 33.051 31.823 -1.042 0.000 1.031 155 V HN 0.512 nan 8.190 nan 0.000 0.426 156 T N 2.569 116.841 114.554 -0.471 0.000 3.097 156 T HA 0.502 4.853 4.350 0.002 0.000 0.332 156 T C -1.597 173.115 174.700 0.020 0.000 1.269 156 T CA -0.347 61.645 62.100 -0.180 0.000 1.076 156 T CB 0.804 69.785 68.868 0.189 0.000 1.209 156 T HN 0.509 nan 8.240 nan 0.000 0.474 157 W N 2.814 124.154 121.300 0.067 0.000 2.129 157 W HA 0.498 5.159 4.660 0.002 0.000 0.349 157 W C 1.212 177.560 176.519 -0.286 0.000 1.279 157 W CA -0.480 56.843 57.345 -0.036 0.000 1.306 157 W CB 0.531 29.976 29.460 -0.025 0.000 1.140 157 W HN 0.765 nan 8.180 nan 0.000 0.613 158 S N 0.610 116.064 115.700 -0.409 0.000 2.603 158 S HA 0.216 4.687 4.470 0.002 0.000 0.268 158 S C -1.874 172.463 174.600 -0.439 0.000 1.317 158 S CA -1.026 56.422 58.200 -1.253 0.000 1.012 158 S CB 1.153 63.571 63.200 -1.304 0.000 0.926 158 S HN 0.244 nan 8.310 nan 0.000 0.539 159 P HA -0.096 nan 4.420 nan 0.000 0.218 159 P C 1.410 178.678 177.300 -0.054 0.000 1.148 159 P CA 1.349 64.408 63.100 -0.069 0.000 0.822 159 P CB -0.138 31.558 31.700 -0.006 0.000 0.784 160 V N -4.763 115.087 119.914 -0.107 0.000 2.939 160 V HA 0.430 4.552 4.120 0.002 0.000 0.228 160 V C 1.702 177.771 176.094 -0.041 0.000 1.162 160 V CA 0.837 63.105 62.300 -0.052 0.000 1.222 160 V CB -1.516 30.286 31.823 -0.036 0.000 1.053 160 V HN 0.050 nan 8.190 nan 0.000 0.504 161 G N 1.815 110.576 108.800 -0.065 0.000 2.466 161 G HA2 0.068 4.029 3.960 0.002 0.000 0.204 161 G HA3 0.068 4.029 3.960 0.002 0.000 0.204 161 G C 0.670 175.630 174.900 0.100 0.000 1.600 161 G CA 0.865 45.979 45.100 0.022 0.000 1.038 161 G HN 1.046 nan 8.290 nan 0.000 0.515 162 H N -0.988 118.114 119.070 0.053 0.000 2.750 162 H HA 0.399 4.956 4.556 0.002 0.000 0.239 162 H C -0.074 175.460 175.328 0.342 0.000 1.210 162 H CA -0.507 55.651 56.048 0.183 0.000 0.936 162 H CB -0.468 29.440 29.762 0.243 0.000 2.074 162 H HN 0.218 nan 8.280 nan 0.000 0.622 163 K N 1.472 121.855 120.400 -0.029 0.000 2.258 163 K HA 0.441 4.762 4.320 0.002 0.000 0.264 163 K C -0.302 176.364 176.600 0.110 0.000 1.007 163 K CA -0.296 55.961 56.287 -0.049 0.000 0.941 163 K CB 1.485 33.840 32.500 -0.242 0.000 0.966 163 K HN 0.146 nan 8.250 nan 0.000 0.480 164 L N 1.325 122.623 121.223 0.125 0.000 2.381 164 L HA 0.591 4.932 4.340 0.002 0.000 0.268 164 L C -0.899 176.117 176.870 0.242 0.000 0.997 164 L CA -0.857 54.014 54.840 0.051 0.000 0.818 164 L CB 2.093 44.042 42.059 -0.182 0.000 1.310 164 L HN 0.710 nan 8.230 nan 0.000 0.416 165 A N 2.863 125.826 122.820 0.237 0.000 2.374 165 A HA 0.829 5.150 4.320 0.002 0.000 0.305 165 A C -1.635 175.978 177.584 0.047 0.000 1.053 165 A CA -0.379 51.716 52.037 0.096 0.000 0.726 165 A CB 1.376 20.387 19.000 0.019 0.000 1.229 165 A HN 0.659 nan 8.150 nan 0.000 0.431 166 Y N -0.648 119.610 120.300 -0.069 0.000 2.625 166 Y HA 0.788 5.339 4.550 0.002 0.000 0.338 166 Y C -1.260 174.655 175.900 0.025 0.000 1.123 166 Y CA -1.569 56.479 58.100 -0.088 0.000 1.046 166 Y CB 1.001 39.351 38.460 -0.184 0.000 1.299 166 Y HN 0.453 nan 8.280 nan 0.000 0.464 167 V N 1.617 121.684 119.914 0.254 0.000 2.628 167 V HA 0.497 4.618 4.120 0.002 0.000 0.306 167 V C -1.491 174.845 176.094 0.404 0.000 1.045 167 V CA -0.688 61.726 62.300 0.191 0.000 0.905 167 V CB 1.649 33.478 31.823 0.009 0.000 0.997 167 V HN 0.906 nan 8.190 nan 0.000 0.436 168 W N 4.291 125.698 121.300 0.178 0.000 3.439 168 W HA 0.439 5.100 4.660 0.002 0.000 0.323 168 W C 0.130 176.706 176.519 0.094 0.000 1.174 168 W CA -0.586 56.840 57.345 0.135 0.000 1.224 168 W CB 1.222 30.765 29.460 0.139 0.000 1.348 168 W HN 0.769 nan 8.180 nan 0.000 0.498 169 N N 5.298 123.622 118.700 -0.626 0.000 2.725 169 N HA -0.346 4.395 4.740 0.002 0.000 0.249 169 N C 0.204 175.537 175.510 -0.295 0.000 1.103 169 N CA 1.115 53.789 53.050 -0.626 0.000 0.707 169 N CB -1.054 36.862 38.487 -0.952 0.000 1.043 169 N HN 0.847 nan 8.380 nan 0.000 0.553 170 N N -1.559 117.029 118.700 -0.187 0.000 2.828 170 N HA -0.161 4.580 4.740 0.002 0.000 0.248 170 N C -1.305 174.115 175.510 -0.149 0.000 1.044 170 N CA 1.123 54.079 53.050 -0.156 0.000 0.851 170 N CB -0.375 37.972 38.487 -0.234 0.000 1.136 170 N HN 0.416 nan 8.380 nan 0.000 0.572 171 D N 0.567 120.895 120.400 -0.121 0.000 2.340 171 D HA 0.486 5.127 4.640 0.002 0.000 0.240 171 D C 0.235 176.336 176.300 -0.332 0.000 1.001 171 D CA -0.357 53.483 54.000 -0.266 0.000 0.888 171 D CB 1.616 42.212 40.800 -0.340 0.000 1.310 171 D HN 0.037 nan 8.370 nan 0.000 0.474 172 I N 1.743 121.953 120.570 -0.601 0.000 2.365 172 I HA 0.222 4.393 4.170 0.002 0.000 0.291 172 I C -0.690 174.899 176.117 -0.879 0.000 1.004 172 I CA -0.421 60.503 61.300 -0.626 0.000 1.311 172 I CB 0.500 38.070 38.000 -0.716 0.000 1.401 172 I HN 0.150 nan 8.210 nan 0.000 0.491 173 Y N 4.291 124.178 120.300 -0.688 0.000 2.477 173 Y HA 0.587 5.138 4.550 0.002 0.000 0.347 173 Y C -0.273 175.256 175.900 -0.619 0.000 0.981 173 Y CA -0.893 56.742 58.100 -0.774 0.000 1.033 173 Y CB 2.068 39.742 38.460 -1.310 0.000 1.245 173 Y HN 0.130 nan 8.280 nan 0.000 0.455 174 V N 2.962 122.788 119.914 -0.147 0.000 2.555 174 V HA 0.476 4.597 4.120 0.002 0.000 0.302 174 V C -0.730 175.439 176.094 0.126 0.000 1.038 174 V CA -1.276 61.039 62.300 0.025 0.000 0.887 174 V CB 2.001 33.882 31.823 0.097 0.000 0.991 174 V HN 0.621 nan 8.190 nan 0.000 0.434 175 K N 3.656 124.140 120.400 0.140 0.000 2.559 175 K HA 0.530 4.851 4.320 0.002 0.000 0.249 175 K C 0.524 177.187 176.600 0.104 0.000 0.958 175 K CA -0.455 55.882 56.287 0.082 0.000 0.901 175 K CB 1.406 33.937 32.500 0.052 0.000 1.124 175 K HN 0.597 nan 8.250 nan 0.000 0.437 176 I N 1.280 121.931 120.570 0.136 0.000 2.493 176 I HA -0.121 4.051 4.170 0.002 0.000 0.254 176 I C 0.398 176.515 176.117 -0.001 0.000 1.160 176 I CA 1.150 62.506 61.300 0.094 0.000 1.445 176 I CB 0.215 38.313 38.000 0.164 0.000 1.086 176 I HN 0.439 nan 8.210 nan 0.000 0.433 177 E N -0.440 119.777 120.200 0.027 0.000 2.272 177 E HA 0.244 4.595 4.350 0.002 0.000 0.269 177 E C -1.895 174.696 176.600 -0.015 0.000 0.877 177 E CA -1.884 54.548 56.400 0.055 0.000 0.755 177 E CB 1.849 31.604 29.700 0.092 0.000 1.192 177 E HN -0.249 nan 8.360 nan 0.000 0.422 178 P HA -0.225 nan 4.420 nan 0.000 0.217 178 P C 0.878 178.106 177.300 -0.120 0.000 1.158 178 P CA 1.698 64.667 63.100 -0.218 0.000 0.887 178 P CB 0.294 31.615 31.700 -0.631 0.000 0.792 179 N N -1.519 117.140 118.700 -0.068 0.000 2.353 179 N HA -0.003 4.738 4.740 0.002 0.000 0.185 179 N C 0.213 175.698 175.510 -0.042 0.000 1.098 179 N CA 0.357 53.385 53.050 -0.037 0.000 0.872 179 N CB -0.616 37.872 38.487 0.002 0.000 0.970 179 N HN 0.084 nan 8.380 nan 0.000 0.467 180 L N 1.301 122.496 121.223 -0.046 0.000 2.439 180 L HA 0.451 4.792 4.340 0.002 0.000 0.261 180 L C -1.978 174.816 176.870 -0.128 0.000 1.153 180 L CA -1.882 52.916 54.840 -0.069 0.000 0.808 180 L CB 0.219 42.247 42.059 -0.052 0.000 1.126 180 L HN -0.056 nan 8.230 nan 0.000 0.460 181 P HA 0.125 nan 4.420 nan 0.000 0.270 181 P C -0.906 176.194 177.300 -0.334 0.000 1.223 181 P CA -0.130 62.843 63.100 -0.212 0.000 0.785 181 P CB 0.544 32.128 31.700 -0.193 0.000 0.923 182 S N 0.497 116.049 115.700 -0.246 0.000 2.632 182 S HA 0.393 4.864 4.470 0.002 0.000 0.271 182 S C -0.710 173.742 174.600 -0.247 0.000 1.260 182 S CA -0.110 57.969 58.200 -0.202 0.000 1.010 182 S CB 0.067 63.259 63.200 -0.014 0.000 0.965 182 S HN 0.239 nan 8.310 nan 0.000 0.534 183 Y N 0.995 121.313 120.300 0.030 0.000 2.334 183 Y HA 0.388 4.939 4.550 0.002 0.000 0.336 183 Y C 0.608 176.435 175.900 -0.121 0.000 0.960 183 Y CA -0.706 57.389 58.100 -0.008 0.000 1.164 183 Y CB 0.730 39.179 38.460 -0.017 0.000 1.155 183 Y HN 0.474 nan 8.280 nan 0.000 0.478 184 R N 4.048 124.508 120.500 -0.066 0.000 2.316 184 R HA 0.186 4.527 4.340 0.002 0.000 0.314 184 R C 0.272 176.264 176.300 -0.513 0.000 1.069 184 R CA 0.049 55.759 56.100 -0.649 0.000 0.959 184 R CB 0.381 30.034 30.300 -1.079 0.000 0.987 184 R HN 0.752 nan 8.270 nan 0.000 0.446 185 I N 1.948 122.144 120.570 -0.624 0.000 2.867 185 I HA -0.004 4.167 4.170 0.002 0.000 0.265 185 I C 1.164 177.040 176.117 -0.402 0.000 1.162 185 I CA 0.914 61.975 61.300 -0.398 0.000 1.471 185 I CB -0.302 37.429 38.000 -0.448 0.000 1.123 185 I HN 0.484 nan 8.210 nan 0.000 0.440 186 T N -1.309 112.842 114.554 -0.672 0.000 2.906 186 T HA 0.366 4.718 4.350 0.002 0.000 0.295 186 T C -1.028 173.302 174.700 -0.616 0.000 1.061 186 T CA -0.346 61.477 62.100 -0.462 0.000 1.000 186 T CB 1.269 69.850 68.868 -0.479 0.000 1.103 186 T HN 0.139 nan 8.240 nan 0.000 0.486 187 W N 0.914 122.090 121.300 -0.206 0.000 2.534 187 W HA 0.214 4.875 4.660 0.002 0.000 0.339 187 W C 2.058 178.515 176.519 -0.104 0.000 0.961 187 W CA 0.047 57.312 57.345 -0.135 0.000 1.545 187 W CB -0.294 29.110 29.460 -0.094 0.000 1.104 187 W HN 0.771 nan 8.180 nan 0.000 0.538 188 T N -2.225 112.367 114.554 0.064 0.000 3.100 188 T HA 0.233 4.584 4.350 0.002 0.000 0.253 188 T C 1.323 176.009 174.700 -0.022 0.000 1.118 188 T CA 0.351 62.468 62.100 0.028 0.000 1.058 188 T CB -0.391 68.489 68.868 0.021 0.000 0.953 188 T HN 0.024 nan 8.240 nan 0.000 0.515 189 G N 1.321 110.076 108.800 -0.075 0.000 2.224 189 G HA2 0.302 4.263 3.960 0.002 0.000 0.239 189 G HA3 0.302 4.263 3.960 0.002 0.000 0.239 189 G C -0.552 174.279 174.900 -0.115 0.000 1.240 189 G CA -0.343 44.688 45.100 -0.116 0.000 0.896 189 G HN 0.611 nan 8.290 nan 0.000 0.496 190 K N 1.890 122.200 120.400 -0.151 0.000 2.588 190 K HA 0.190 4.512 4.320 0.002 0.000 0.250 190 K C -0.057 176.413 176.600 -0.216 0.000 0.972 190 K CA -0.678 55.523 56.287 -0.143 0.000 0.821 190 K CB 1.376 33.831 32.500 -0.074 0.000 1.249 190 K HN 0.621 nan 8.250 nan 0.000 0.442 191 E N 3.473 123.551 120.200 -0.204 0.000 2.765 191 E HA -0.186 4.165 4.350 0.002 0.000 0.256 191 E C -0.543 175.962 176.600 -0.159 0.000 0.935 191 E CA 1.148 57.424 56.400 -0.207 0.000 0.954 191 E CB 0.237 29.856 29.700 -0.136 0.000 0.908 191 E HN 0.698 nan 8.360 nan 0.000 0.500 192 D N 2.420 122.710 120.400 -0.183 0.000 3.006 192 D HA -0.243 4.398 4.640 0.002 0.000 0.208 192 D C 0.587 176.954 176.300 0.111 0.000 1.116 192 D CA 1.375 55.407 54.000 0.054 0.000 0.998 192 D CB -0.418 40.443 40.800 0.102 0.000 1.124 192 D HN 0.427 nan 8.370 nan 0.000 0.413 193 I N -0.982 119.561 120.570 -0.044 0.000 3.623 193 I HA 0.161 4.332 4.170 0.002 0.000 0.253 193 I C 0.772 176.976 176.117 0.145 0.000 1.144 193 I CA 0.320 61.676 61.300 0.092 0.000 1.461 193 I CB 0.003 38.028 38.000 0.042 0.000 1.575 193 I HN -0.176 nan 8.210 nan 0.000 0.445 194 I N 0.963 121.524 120.570 -0.014 0.000 2.362 194 I HA 0.245 4.416 4.170 0.002 0.000 0.289 194 I C -1.266 174.831 176.117 -0.034 0.000 0.994 194 I CA -0.315 61.036 61.300 0.085 0.000 1.158 194 I CB 1.303 39.332 38.000 0.049 0.000 1.315 194 I HN -0.046 nan 8.210 nan 0.000 0.451 195 Y N 5.116 125.496 120.300 0.134 0.000 2.328 195 Y HA 0.480 5.031 4.550 0.002 0.000 0.333 195 Y C 0.038 175.980 175.900 0.071 0.000 0.958 195 Y CA -0.941 57.237 58.100 0.130 0.000 1.167 195 Y CB 0.960 39.579 38.460 0.265 0.000 1.151 195 Y HN 0.423 nan 8.280 nan 0.000 0.470 196 N N 2.142 120.884 118.700 0.071 0.000 2.444 196 N HA 0.352 5.093 4.740 0.002 0.000 0.262 196 N C 0.813 176.239 175.510 -0.141 0.000 0.974 196 N CA 0.381 53.393 53.050 -0.063 0.000 0.933 196 N CB 1.887 40.237 38.487 -0.229 0.000 1.137 196 N HN 0.970 nan 8.380 nan 0.000 0.498 197 G N 1.608 110.335 108.800 -0.121 0.000 2.184 197 G HA2 -0.251 3.710 3.960 0.002 0.000 0.264 197 G HA3 -0.251 3.710 3.960 0.002 0.000 0.264 197 G C 0.088 174.825 174.900 -0.272 0.000 0.975 197 G CA 0.785 45.748 45.100 -0.229 0.000 0.642 197 G HN 0.675 nan 8.290 nan 0.000 0.536 198 I N -2.356 118.139 120.570 -0.125 0.000 2.894 198 I HA 0.777 4.948 4.170 0.002 0.000 0.302 198 I C 0.238 176.415 176.117 0.100 0.000 1.188 198 I CA -0.697 60.464 61.300 -0.233 0.000 1.014 198 I CB 1.913 39.625 38.000 -0.481 0.000 1.242 198 I HN 0.174 nan 8.210 nan 0.000 0.430 199 T N -0.329 114.208 114.554 -0.029 0.000 2.899 199 T HA 0.393 4.744 4.350 0.002 0.000 0.284 199 T C -0.191 174.343 174.700 -0.277 0.000 1.004 199 T CA -0.589 61.352 62.100 -0.265 0.000 1.043 199 T CB 1.288 70.078 68.868 -0.130 0.000 1.013 199 T HN 0.772 nan 8.240 nan 0.000 0.518 200 D N 0.113 120.113 120.400 -0.666 0.000 2.511 200 D HA 0.057 4.698 4.640 0.002 0.000 0.276 200 D C 0.967 177.195 176.300 -0.120 0.000 1.220 200 D CA -1.098 52.519 54.000 -0.639 0.000 1.077 200 D CB 0.091 40.411 40.800 -0.800 0.000 1.126 200 D HN 0.676 nan 8.370 nan 0.000 0.583 201 W N 0.092 121.359 121.300 -0.055 0.000 2.317 201 W HA -0.229 4.432 4.660 0.002 0.000 0.318 201 W C 2.169 178.591 176.519 -0.162 0.000 1.227 201 W CA 2.546 59.845 57.345 -0.076 0.000 1.269 201 W CB -0.523 28.831 29.460 -0.177 0.000 1.155 201 W HN 0.184 nan 8.180 nan 0.000 0.484 202 V N -0.205 119.700 119.914 -0.016 0.000 2.515 202 V HA -0.280 3.841 4.120 0.002 0.000 0.250 202 V C 1.874 177.750 176.094 -0.363 0.000 1.058 202 V CA 1.971 64.136 62.300 -0.226 0.000 1.064 202 V CB -0.735 31.026 31.823 -0.103 0.000 0.675 202 V HN 0.298 nan 8.190 nan 0.000 0.461 203 Y N 0.596 120.686 120.300 -0.349 0.000 2.314 203 Y HA -0.135 4.416 4.550 0.002 0.000 0.293 203 Y C 2.575 178.360 175.900 -0.192 0.000 1.129 203 Y CA 2.016 59.936 58.100 -0.300 0.000 1.201 203 Y CB -0.026 38.155 38.460 -0.464 0.000 0.999 203 Y HN 0.385 nan 8.280 nan 0.000 0.541 204 E N 0.297 120.441 120.200 -0.095 0.000 2.047 204 E HA -0.274 4.077 4.350 0.002 0.000 0.191 204 E C 1.976 178.535 176.600 -0.068 0.000 0.987 204 E CA 1.495 57.880 56.400 -0.025 0.000 0.799 204 E CB 0.040 29.731 29.700 -0.016 0.000 0.752 204 E HN 0.419 nan 8.360 nan 0.000 0.449 205 E N 0.288 120.251 120.200 -0.396 0.000 2.051 205 E HA -0.144 4.207 4.350 0.002 0.000 0.189 205 E C 1.691 178.152 176.600 -0.231 0.000 0.979 205 E CA 1.473 57.634 56.400 -0.399 0.000 0.803 205 E CB 0.157 29.291 29.700 -0.944 0.000 0.761 205 E HN 0.198 nan 8.360 nan 0.000 0.451 206 E N -0.537 119.487 120.200 -0.293 0.000 2.415 206 E HA 0.038 4.389 4.350 0.002 0.000 0.197 206 E C 1.601 178.040 176.600 -0.268 0.000 1.007 206 E CA 0.622 56.896 56.400 -0.210 0.000 0.890 206 E CB 1.248 30.828 29.700 -0.200 0.000 0.891 206 E HN 0.284 nan 8.360 nan 0.000 0.496 207 V N -1.627 118.082 119.914 -0.341 0.000 3.371 207 V HA 0.155 4.276 4.120 0.002 0.000 0.246 207 V C 0.747 176.573 176.094 -0.446 0.000 1.303 207 V CA 0.212 62.233 62.300 -0.464 0.000 1.156 207 V CB 0.055 31.424 31.823 -0.758 0.000 0.929 207 V HN -0.010 nan 8.190 nan 0.000 0.459 208 F N 0.948 120.893 119.950 -0.008 0.000 2.724 208 F HA 0.481 5.009 4.527 0.002 0.000 0.306 208 F C 1.604 177.366 175.800 -0.064 0.000 1.100 208 F CA 0.475 58.495 58.000 0.033 0.000 1.255 208 F CB 0.170 39.240 39.000 0.117 0.000 1.072 208 F HN 0.111 nan 8.300 nan 0.000 0.589 209 S N 0.679 116.396 115.700 0.028 0.000 3.521 209 S HA -0.031 4.440 4.470 0.002 0.000 0.362 209 S C 0.081 174.260 174.600 -0.700 0.000 1.044 209 S CA 0.508 58.583 58.200 -0.209 0.000 1.091 209 S CB -1.576 61.572 63.200 -0.087 0.000 0.908 209 S HN 0.618 nan 8.310 nan 0.000 0.473 210 A N -0.642 121.995 122.820 -0.304 0.000 2.612 210 A HA 0.717 5.038 4.320 0.002 0.000 0.293 210 A C -0.279 177.271 177.584 -0.056 0.000 1.075 210 A CA -0.482 51.403 52.037 -0.253 0.000 0.680 210 A CB 0.385 19.260 19.000 -0.209 0.000 1.279 210 A HN 0.294 nan 8.150 nan 0.000 0.411 211 Y N 1.589 121.713 120.300 -0.294 0.000 2.397 211 Y HA 0.148 4.699 4.550 0.002 0.000 0.292 211 Y C 1.544 177.155 175.900 -0.482 0.000 1.115 211 Y CA 0.723 58.664 58.100 -0.266 0.000 1.208 211 Y CB -0.078 38.273 38.460 -0.182 0.000 1.046 211 Y HN 0.746 nan 8.280 nan 0.000 0.552 212 S N 0.672 115.828 115.700 -0.907 0.000 2.564 212 S HA 0.535 5.006 4.470 0.002 0.000 0.278 212 S C 0.233 174.306 174.600 -0.878 0.000 1.333 212 S CA -0.113 57.363 58.200 -1.207 0.000 1.048 212 S CB 1.421 63.466 63.200 -1.925 0.000 0.900 212 S HN 0.441 nan 8.310 nan 0.000 0.505 213 A N 2.571 124.886 122.820 -0.842 0.000 2.992 213 A HA 0.540 4.861 4.320 0.002 0.000 0.263 213 A C -0.535 176.334 177.584 -1.191 0.000 0.928 213 A CA -0.706 50.771 52.037 -0.934 0.000 1.061 213 A CB -0.567 18.322 19.000 -0.186 0.000 1.173 213 A HN 1.222 nan 8.150 nan 0.000 0.482 214 L N -4.521 115.823 121.223 -1.465 0.000 2.445 214 L HA 0.913 5.254 4.340 0.002 0.000 0.262 214 L C -1.471 174.854 176.870 -0.908 0.000 0.974 214 L CA -1.281 53.031 54.840 -0.880 0.000 0.822 214 L CB 1.012 42.808 42.059 -0.439 0.000 1.339 214 L HN 0.228 nan 8.230 nan 0.000 0.409 215 W N 2.112 123.453 121.300 0.070 0.000 2.756 215 W HA 0.339 5.001 4.660 0.002 0.000 0.333 215 W C -1.323 175.407 176.519 0.352 0.000 1.025 215 W CA -0.760 56.741 57.345 0.261 0.000 1.246 215 W CB 1.438 31.113 29.460 0.359 0.000 1.358 215 W HN 0.634 nan 8.180 nan 0.000 0.444 216 W N 2.131 123.645 121.300 0.358 0.000 2.126 216 W HA 0.223 4.884 4.660 0.002 0.000 0.346 216 W C 1.277 177.654 176.519 -0.236 0.000 1.279 216 W CA 0.431 57.856 57.345 0.134 0.000 1.259 216 W CB 0.668 30.175 29.460 0.078 0.000 1.133 216 W HN 0.175 nan 8.180 nan 0.000 0.592 217 S N 1.219 116.717 115.700 -0.336 0.000 2.652 217 S HA 0.303 4.774 4.470 0.002 0.000 0.270 217 S C -1.879 172.484 174.600 -0.395 0.000 1.243 217 S CA -1.131 56.308 58.200 -1.268 0.000 0.999 217 S CB 1.260 63.738 63.200 -1.203 0.000 0.973 217 S HN 0.243 nan 8.310 nan 0.000 0.544 218 P HA -0.208 nan 4.420 nan 0.000 0.219 218 P C 0.833 178.112 177.300 -0.034 0.000 1.161 218 P CA 1.974 65.048 63.100 -0.045 0.000 0.909 218 P CB -0.210 31.504 31.700 0.025 0.000 0.793 219 N N -2.680 115.989 118.700 -0.053 0.000 2.230 219 N HA 0.160 4.901 4.740 0.002 0.000 0.202 219 N C 1.075 176.535 175.510 -0.084 0.000 1.119 219 N CA 0.559 53.579 53.050 -0.050 0.000 0.851 219 N CB -0.403 38.067 38.487 -0.028 0.000 0.990 219 N HN 0.220 nan 8.380 nan 0.000 0.497 220 G N -1.049 107.714 108.800 -0.062 0.000 2.175 220 G HA2 -0.343 3.618 3.960 0.002 0.000 0.244 220 G HA3 -0.343 3.618 3.960 0.002 0.000 0.244 220 G C 1.055 176.030 174.900 0.126 0.000 0.982 220 G CA 0.616 45.706 45.100 -0.016 0.000 0.641 220 G HN 0.348 nan 8.290 nan 0.000 0.527 221 T N 0.332 114.866 114.554 -0.034 0.000 2.652 221 T HA 0.115 4.466 4.350 0.002 0.000 0.267 221 T C 0.944 175.516 174.700 -0.214 0.000 1.039 221 T CA 1.506 63.481 62.100 -0.209 0.000 1.153 221 T CB -0.128 68.473 68.868 -0.445 0.000 0.863 221 T HN 0.309 nan 8.240 nan 0.000 0.428 222 F N 0.152 120.138 119.950 0.061 0.000 2.432 222 F HA 0.629 5.157 4.527 0.002 0.000 0.329 222 F C -0.169 175.700 175.800 0.115 0.000 1.076 222 F CA -1.572 56.500 58.000 0.119 0.000 1.018 222 F CB 1.100 40.243 39.000 0.238 0.000 1.201 222 F HN -0.090 nan 8.300 nan 0.000 0.489 223 L N 2.543 123.928 121.223 0.270 0.000 2.372 223 L HA 0.787 5.128 4.340 0.002 0.000 0.273 223 L C -0.782 176.174 176.870 0.143 0.000 0.989 223 L CA -0.481 54.328 54.840 -0.053 0.000 0.841 223 L CB 0.871 42.646 42.059 -0.475 0.000 1.225 223 L HN 0.659 nan 8.230 nan 0.000 0.414 224 A N 4.659 127.637 122.820 0.264 0.000 2.306 224 A HA 0.792 5.113 4.320 0.002 0.000 0.314 224 A C -1.340 176.292 177.584 0.080 0.000 1.164 224 A CA -0.259 51.817 52.037 0.064 0.000 0.822 224 A CB 0.569 19.717 19.000 0.247 0.000 1.130 224 A HN 0.868 nan 8.150 nan 0.000 0.496 225 Y N -1.496 118.582 120.300 -0.370 0.000 2.655 225 Y HA 0.802 5.353 4.550 0.002 0.000 0.336 225 Y C -0.346 175.393 175.900 -0.268 0.000 1.154 225 Y CA -0.975 56.989 58.100 -0.227 0.000 1.055 225 Y CB 0.986 39.284 38.460 -0.268 0.000 1.295 225 Y HN 0.928 nan 8.280 nan 0.000 0.465 226 A N 1.499 124.379 122.820 0.099 0.000 2.356 226 A HA 0.692 5.013 4.320 0.002 0.000 0.323 226 A C -1.423 176.045 177.584 -0.193 0.000 1.119 226 A CA -0.876 51.106 52.037 -0.091 0.000 0.790 226 A CB 1.963 20.884 19.000 -0.133 0.000 1.273 226 A HN 0.810 nan 8.150 nan 0.000 0.452 227 Q N 0.862 120.479 119.800 -0.305 0.000 2.340 227 Q HA 0.640 4.981 4.340 0.002 0.000 0.268 227 Q C -2.090 173.651 176.000 -0.431 0.000 1.031 227 Q CA -0.403 55.297 55.803 -0.172 0.000 0.804 227 Q CB 1.201 30.046 28.738 0.180 0.000 1.286 227 Q HN 0.591 nan 8.270 nan 0.000 0.448 228 F N 2.203 122.247 119.950 0.157 0.000 2.482 228 F HA 0.407 4.935 4.527 0.002 0.000 0.331 228 F C 0.288 176.230 175.800 0.237 0.000 1.115 228 F CA -0.942 57.126 58.000 0.113 0.000 0.955 228 F CB 1.545 40.511 39.000 -0.057 0.000 1.136 228 F HN 0.424 nan 8.300 nan 0.000 0.452 229 N N 2.042 120.958 118.700 0.361 0.000 2.476 229 N HA 0.198 4.939 4.740 0.002 0.000 0.257 229 N C -0.694 174.990 175.510 0.290 0.000 0.970 229 N CA -0.222 53.004 53.050 0.294 0.000 0.938 229 N CB 1.049 39.656 38.487 0.200 0.000 1.144 229 N HN 0.548 nan 8.380 nan 0.000 0.500 230 D N 1.581 122.178 120.400 0.329 0.000 2.388 230 D HA 0.115 4.756 4.640 0.002 0.000 0.221 230 D C 1.262 177.684 176.300 0.204 0.000 1.133 230 D CA 0.155 54.325 54.000 0.284 0.000 0.831 230 D CB 0.477 41.513 40.800 0.393 0.000 0.962 230 D HN 0.474 nan 8.370 nan 0.000 0.502 231 T N 0.462 115.118 114.554 0.169 0.000 2.594 231 T HA -0.235 4.116 4.350 0.002 0.000 0.266 231 T C 1.321 176.081 174.700 0.100 0.000 1.070 231 T CA 1.444 63.616 62.100 0.119 0.000 1.166 231 T CB -0.036 68.892 68.868 0.100 0.000 0.862 231 T HN 0.307 nan 8.240 nan 0.000 0.436 232 E N 0.297 120.555 120.200 0.097 0.000 2.465 232 E HA 0.175 4.526 4.350 0.002 0.000 0.195 232 E C -0.410 176.242 176.600 0.086 0.000 1.028 232 E CA -0.230 56.217 56.400 0.079 0.000 0.899 232 E CB 0.569 30.308 29.700 0.064 0.000 1.032 232 E HN 0.209 nan 8.360 nan 0.000 0.468 233 V N 3.861 123.841 119.914 0.110 0.000 2.479 233 V HA 0.049 4.170 4.120 0.002 0.000 0.281 233 V C -1.983 174.174 176.094 0.104 0.000 1.031 233 V CA -1.191 61.179 62.300 0.117 0.000 1.038 233 V CB 0.188 32.100 31.823 0.149 0.000 0.981 233 V HN 0.056 nan 8.190 nan 0.000 0.478 234 P HA 0.246 nan 4.420 nan 0.000 0.270 234 P C -0.865 176.479 177.300 0.073 0.000 1.223 234 P CA -0.266 62.875 63.100 0.069 0.000 0.785 234 P CB 0.505 32.241 31.700 0.060 0.000 0.923 235 L N 1.921 123.164 121.223 0.034 0.000 2.329 235 L HA 0.455 4.796 4.340 0.002 0.000 0.279 235 L C 0.050 176.879 176.870 -0.068 0.000 1.014 235 L CA -0.702 54.145 54.840 0.012 0.000 0.814 235 L CB 1.240 43.306 42.059 0.011 0.000 1.257 235 L HN 0.273 nan 8.230 nan 0.000 0.424 236 I N 2.258 122.747 120.570 -0.134 0.000 2.395 236 I HA 0.295 4.466 4.170 0.002 0.000 0.289 236 I C -0.366 175.626 176.117 -0.208 0.000 1.023 236 I CA 0.168 61.287 61.300 -0.303 0.000 1.350 236 I CB 0.709 38.284 38.000 -0.708 0.000 1.409 236 I HN 0.600 nan 8.210 nan 0.000 0.507 237 E N 7.426 127.514 120.200 -0.186 0.000 2.222 237 E HA 0.539 4.890 4.350 0.002 0.000 0.267 237 E C -1.727 174.824 176.600 -0.082 0.000 0.884 237 E CA -0.560 55.735 56.400 -0.175 0.000 0.764 237 E CB 1.964 31.581 29.700 -0.138 0.000 1.169 237 E HN 0.569 nan 8.360 nan 0.000 0.413 238 Y N -1.652 118.565 120.300 -0.138 0.000 2.638 238 Y HA 0.573 5.124 4.550 0.002 0.000 0.335 238 Y C -0.732 175.102 175.900 -0.110 0.000 1.155 238 Y CA -1.283 56.742 58.100 -0.125 0.000 1.046 238 Y CB 0.853 39.247 38.460 -0.109 0.000 1.303 238 Y HN 0.219 nan 8.280 nan 0.000 0.460 239 S N 1.614 117.311 115.700 -0.005 0.000 2.586 239 S HA 0.534 5.005 4.470 0.002 0.000 0.274 239 S C -1.515 172.962 174.600 -0.205 0.000 1.281 239 S CA -0.395 57.657 58.200 -0.247 0.000 1.035 239 S CB 0.597 63.481 63.200 -0.528 0.000 0.962 239 S HN 0.529 nan 8.310 nan 0.000 0.512 240 F N 2.133 121.828 119.950 -0.426 0.000 2.499 240 F HA 0.423 4.951 4.527 0.002 0.000 0.333 240 F C -0.406 175.182 175.800 -0.353 0.000 1.138 240 F CA -0.987 56.870 58.000 -0.237 0.000 0.945 240 F CB 0.788 39.753 39.000 -0.058 0.000 1.181 240 F HN 0.644 nan 8.300 nan 0.000 0.435 241 Y N 2.750 122.797 120.300 -0.421 0.000 2.519 241 Y HA 0.121 4.672 4.550 0.002 0.000 0.287 241 Y C 1.724 177.501 175.900 -0.205 0.000 1.128 241 Y CA 1.001 58.954 58.100 -0.245 0.000 1.282 241 Y CB -0.611 37.716 38.460 -0.222 0.000 1.027 241 Y HN 0.736 nan 8.280 nan 0.000 0.551 242 S N -0.168 115.348 115.700 -0.307 0.000 3.160 242 S HA -0.236 4.235 4.470 0.002 0.000 0.634 242 S C -0.286 174.337 174.600 0.038 0.000 2.861 242 S CA 0.454 58.670 58.200 0.027 0.000 3.097 242 S CB -1.012 62.335 63.200 0.244 0.000 0.331 242 S HN 0.480 nan 8.310 nan 0.000 1.767 243 D N 1.438 121.894 120.400 0.093 0.000 2.378 243 D HA 0.137 4.778 4.640 0.002 0.000 0.238 243 D C 1.423 177.752 176.300 0.048 0.000 1.180 243 D CA 0.357 54.396 54.000 0.065 0.000 0.895 243 D CB 0.175 41.018 40.800 0.072 0.000 1.192 243 D HN 0.625 nan 8.370 nan 0.000 0.438 244 E N 0.406 120.626 120.200 0.032 0.000 2.147 244 E HA -0.242 4.109 4.350 0.002 0.000 0.199 244 E C 1.594 178.209 176.600 0.024 0.000 1.005 244 E CA 1.529 57.941 56.400 0.020 0.000 0.810 244 E CB 0.093 29.800 29.700 0.011 0.000 0.736 244 E HN 0.453 nan 8.360 nan 0.000 0.460 245 S N 0.031 115.751 115.700 0.033 0.000 2.500 245 S HA -0.078 4.393 4.470 0.002 0.000 0.239 245 S C 1.057 175.684 174.600 0.045 0.000 0.989 245 S CA 0.095 58.316 58.200 0.034 0.000 0.951 245 S CB -0.208 63.014 63.200 0.037 0.000 0.759 245 S HN 0.212 nan 8.310 nan 0.000 0.523 246 L N 2.009 123.266 121.223 0.056 0.000 2.369 246 L HA 0.166 4.507 4.340 0.002 0.000 0.279 246 L C 1.635 178.541 176.870 0.059 0.000 1.108 246 L CA -0.081 54.804 54.840 0.075 0.000 0.852 246 L CB 1.051 43.166 42.059 0.092 0.000 1.169 246 L HN 0.392 nan 8.230 nan 0.000 0.452 247 Q N 3.726 123.572 119.800 0.077 0.000 2.049 247 Q HA -0.091 4.250 4.340 0.002 0.000 0.198 247 Q C -0.589 175.349 176.000 -0.103 0.000 0.971 247 Q CA 1.344 57.144 55.803 -0.005 0.000 0.833 247 Q CB 0.237 29.010 28.738 0.058 0.000 0.896 247 Q HN 0.546 nan 8.270 nan 0.000 0.434 248 Y N 0.531 120.840 120.300 0.015 0.000 2.352 248 Y HA 0.383 4.934 4.550 0.002 0.000 0.339 248 Y C -2.059 173.841 175.900 0.000 0.000 0.992 248 Y CA -3.008 55.096 58.100 0.007 0.000 1.100 248 Y CB 1.187 39.645 38.460 -0.005 0.000 1.192 248 Y HN 0.130 nan 8.280 nan 0.000 0.458 249 P HA 0.092 nan 4.420 nan 0.000 0.269 249 P C -0.903 176.392 177.300 -0.008 0.000 1.209 249 P CA -0.558 62.538 63.100 -0.006 0.000 0.776 249 P CB 0.557 32.188 31.700 -0.115 0.000 0.876 250 K N 0.279 120.663 120.400 -0.026 0.000 2.095 250 K HA 0.557 4.878 4.320 0.002 0.000 0.252 250 K C -0.783 175.768 176.600 -0.083 0.000 0.977 250 K CA -0.645 55.630 56.287 -0.021 0.000 0.900 250 K CB 0.594 33.108 32.500 0.024 0.000 1.060 250 K HN 0.188 nan 8.250 nan 0.000 0.449 251 T N 1.710 116.204 114.554 -0.100 0.000 2.758 251 T HA 0.226 4.577 4.350 0.002 0.000 0.285 251 T C -0.461 174.116 174.700 -0.205 0.000 0.981 251 T CA -0.723 61.283 62.100 -0.157 0.000 0.965 251 T CB 1.093 69.884 68.868 -0.128 0.000 0.927 251 T HN 0.369 nan 8.240 nan 0.000 0.448 252 V N 6.377 126.073 119.914 -0.363 0.000 2.406 252 V HA 0.462 4.583 4.120 0.002 0.000 0.272 252 V C 0.364 176.193 176.094 -0.443 0.000 1.043 252 V CA -0.731 61.303 62.300 -0.443 0.000 0.915 252 V CB 0.454 31.837 31.823 -0.735 0.000 0.988 252 V HN 0.750 nan 8.190 nan 0.000 0.466 253 R N 4.547 124.919 120.500 -0.214 0.000 2.480 253 R HA 0.834 5.176 4.340 0.002 0.000 0.306 253 R C -1.443 174.850 176.300 -0.012 0.000 0.958 253 R CA -0.669 55.350 56.100 -0.134 0.000 0.861 253 R CB 1.850 32.097 30.300 -0.088 0.000 1.171 253 R HN 0.457 nan 8.270 nan 0.000 0.445 254 V N 2.197 122.121 119.914 0.017 0.000 2.888 254 V HA 0.480 4.601 4.120 0.002 0.000 0.309 254 V C -2.760 173.413 176.094 0.132 0.000 1.114 254 V CA -2.392 59.992 62.300 0.140 0.000 0.940 254 V CB 2.921 34.880 31.823 0.228 0.000 1.021 254 V HN 0.604 nan 8.190 nan 0.000 0.426 255 P HA 0.218 nan 4.420 nan 0.000 0.264 255 P C -1.816 175.622 177.300 0.231 0.000 1.229 255 P CA 0.602 63.829 63.100 0.211 0.000 0.780 255 P CB -0.391 31.469 31.700 0.267 0.000 0.808 256 Y N 6.680 126.984 120.300 0.006 0.000 2.315 256 Y HA 0.400 4.951 4.550 0.002 0.000 0.324 256 Y C -2.747 173.146 175.900 -0.013 0.000 1.062 256 Y CA -2.914 55.149 58.100 -0.062 0.000 1.159 256 Y CB 1.859 40.159 38.460 -0.267 0.000 1.145 256 Y HN 0.276 nan 8.280 nan 0.000 0.442 257 P HA 0.282 nan 4.420 nan 0.000 0.291 257 P C -1.061 176.321 177.300 0.136 0.000 1.340 257 P CA -0.319 62.854 63.100 0.121 0.000 0.799 257 P CB 1.454 33.198 31.700 0.074 0.000 0.917 258 K N 2.008 122.552 120.400 0.239 0.000 2.107 258 K HA 0.512 4.833 4.320 0.002 0.000 0.251 258 K C 0.583 177.291 176.600 0.181 0.000 1.012 258 K CA -0.715 55.726 56.287 0.257 0.000 0.920 258 K CB 0.633 33.293 32.500 0.267 0.000 1.033 258 K HN 0.459 nan 8.250 nan 0.000 0.478 259 A N 0.774 123.727 122.820 0.223 0.000 2.584 259 A HA 0.243 4.564 4.320 0.002 0.000 0.239 259 A C 1.254 178.883 177.584 0.075 0.000 1.043 259 A CA 1.094 53.249 52.037 0.196 0.000 0.756 259 A CB -1.126 18.091 19.000 0.361 0.000 0.963 259 A HN 0.929 nan 8.150 nan 0.000 0.511 260 G N 0.774 109.600 108.800 0.043 0.000 2.205 260 G HA2 0.099 4.060 3.960 0.002 0.000 0.261 260 G HA3 0.099 4.060 3.960 0.002 0.000 0.261 260 G C 0.695 175.607 174.900 0.019 0.000 0.980 260 G CA 0.893 45.988 45.100 -0.007 0.000 0.632 260 G HN 2.218 nan 8.290 nan 0.000 0.533 261 A N -0.438 122.412 122.820 0.051 0.000 2.249 261 A HA 0.754 5.075 4.320 0.002 0.000 0.281 261 A C 0.778 178.395 177.584 0.055 0.000 1.127 261 A CA 0.283 52.354 52.037 0.057 0.000 0.833 261 A CB 0.748 19.798 19.000 0.083 0.000 1.140 261 A HN 1.116 nan 8.150 nan 0.000 0.502 262 V N 2.574 122.522 119.914 0.057 0.000 2.479 262 V HA 0.036 4.157 4.120 0.002 0.000 0.281 262 V C 0.274 176.415 176.094 0.078 0.000 1.031 262 V CA -0.145 62.189 62.300 0.057 0.000 1.038 262 V CB -0.207 31.649 31.823 0.056 0.000 0.981 262 V HN 0.782 nan 8.190 nan 0.000 0.478 263 N N 6.752 125.497 118.700 0.074 0.000 2.463 263 N HA 0.459 5.200 4.740 0.002 0.000 0.270 263 N C -2.254 173.340 175.510 0.140 0.000 1.205 263 N CA -1.327 51.791 53.050 0.113 0.000 0.974 263 N CB 1.078 39.631 38.487 0.110 0.000 1.197 263 N HN 0.396 nan 8.380 nan 0.000 0.504 264 P HA 0.143 nan 4.420 nan 0.000 0.276 264 P C -0.570 176.885 177.300 0.259 0.000 1.252 264 P CA -0.198 63.052 63.100 0.250 0.000 0.802 264 P CB 0.510 32.394 31.700 0.307 0.000 1.035 265 T N -2.202 112.490 114.554 0.230 0.000 2.940 265 T HA 0.586 4.937 4.350 0.002 0.000 0.288 265 T C -0.337 174.502 174.700 0.231 0.000 1.033 265 T CA -0.834 61.365 62.100 0.165 0.000 1.033 265 T CB 1.492 70.415 68.868 0.092 0.000 1.079 265 T HN 0.334 nan 8.240 nan 0.000 0.496 266 V N 0.604 120.631 119.914 0.190 0.000 2.962 266 V HA 0.794 4.915 4.120 0.002 0.000 0.313 266 V C -1.503 174.667 176.094 0.127 0.000 1.099 266 V CA -0.905 61.465 62.300 0.118 0.000 0.971 266 V CB 2.085 34.026 31.823 0.197 0.000 1.028 266 V HN 1.045 nan 8.190 nan 0.000 0.430 267 K N 4.223 124.635 120.400 0.019 0.000 2.468 267 K HA 0.501 4.822 4.320 0.002 0.000 0.252 267 K C -1.917 174.610 176.600 -0.121 0.000 0.932 267 K CA -0.399 55.868 56.287 -0.033 0.000 0.794 267 K CB 2.537 35.022 32.500 -0.025 0.000 1.241 267 K HN 0.564 nan 8.250 nan 0.000 0.428 268 F N 2.870 122.576 119.950 -0.408 0.000 2.443 268 F HA 0.587 5.115 4.527 0.002 0.000 0.335 268 F C -1.157 174.136 175.800 -0.845 0.000 1.104 268 F CA -0.558 57.176 58.000 -0.444 0.000 1.013 268 F CB 0.714 39.571 39.000 -0.238 0.000 1.136 268 F HN 0.384 nan 8.300 nan 0.000 0.470 269 F N 3.333 122.569 119.950 -1.189 0.000 2.613 269 F HA 0.740 5.268 4.527 0.002 0.000 0.314 269 F C -1.036 174.093 175.800 -1.118 0.000 1.075 269 F CA -1.117 56.267 58.000 -1.026 0.000 0.945 269 F CB 2.116 40.419 39.000 -1.163 0.000 1.310 269 F HN 0.105 nan 8.300 nan 0.000 0.467 270 V N 2.315 122.005 119.914 -0.374 0.000 2.686 270 V HA 0.690 4.811 4.120 0.002 0.000 0.306 270 V C -1.252 174.926 176.094 0.140 0.000 1.065 270 V CA -0.831 61.342 62.300 -0.213 0.000 0.894 270 V CB 1.967 33.495 31.823 -0.492 0.000 1.004 270 V HN 0.613 nan 8.190 nan 0.000 0.424 271 V N 3.847 123.918 119.914 0.262 0.000 2.876 271 V HA 0.563 4.684 4.120 0.002 0.000 0.312 271 V C -0.472 175.838 176.094 0.360 0.000 1.085 271 V CA -0.657 61.820 62.300 0.295 0.000 0.945 271 V CB 2.218 34.157 31.823 0.193 0.000 1.017 271 V HN 1.017 nan 8.190 nan 0.000 0.428 272 N N 2.474 121.340 118.700 0.277 0.000 2.414 272 N HA 0.240 4.981 4.740 0.002 0.000 0.256 272 N C 0.961 176.466 175.510 -0.009 0.000 1.029 272 N CA 0.290 53.385 53.050 0.075 0.000 0.948 272 N CB 1.338 39.831 38.487 0.010 0.000 1.102 272 N HN 0.880 nan 8.380 nan 0.000 0.496 273 T N -0.230 114.309 114.554 -0.024 0.000 3.194 273 T HA 0.063 4.414 4.350 0.002 0.000 0.251 273 T C 0.354 175.029 174.700 -0.042 0.000 1.132 273 T CA 0.411 62.514 62.100 0.005 0.000 1.028 273 T CB 0.107 69.074 68.868 0.164 0.000 0.976 273 T HN 0.457 nan 8.240 nan 0.000 0.535 274 D N 1.059 121.404 120.400 -0.092 0.000 2.431 274 D HA 0.109 4.750 4.640 0.002 0.000 0.227 274 D C 1.123 177.371 176.300 -0.087 0.000 1.030 274 D CA 0.316 54.263 54.000 -0.087 0.000 0.897 274 D CB 0.274 41.009 40.800 -0.110 0.000 1.058 274 D HN 0.352 nan 8.370 nan 0.000 0.500 275 S N 1.419 117.070 115.700 -0.082 0.000 2.768 275 S HA 0.134 4.605 4.470 0.002 0.000 0.246 275 S C 0.788 175.336 174.600 -0.086 0.000 1.006 275 S CA -0.219 57.948 58.200 -0.056 0.000 1.075 275 S CB -0.530 62.663 63.200 -0.011 0.000 0.786 275 S HN 0.277 nan 8.310 nan 0.000 0.468 276 L N -0.109 121.011 121.223 -0.172 0.000 2.262 276 L HA 0.620 4.961 4.340 0.002 0.000 0.288 276 L C 0.741 177.394 176.870 -0.362 0.000 1.035 276 L CA -0.721 53.940 54.840 -0.299 0.000 0.820 276 L CB 0.992 42.762 42.059 -0.483 0.000 1.204 276 L HN 0.168 nan 8.230 nan 0.000 0.424 277 S N 3.736 119.321 115.700 -0.191 0.000 2.159 277 S HA 0.072 4.543 4.470 0.002 0.000 0.163 277 S C 0.916 175.523 174.600 0.012 0.000 1.394 277 S CA 0.819 58.976 58.200 -0.072 0.000 2.434 277 S CB -0.359 62.840 63.200 -0.001 0.000 0.341 277 S HN 1.270 nan 8.310 nan 0.000 0.348 278 S N -2.252 113.537 115.700 0.148 0.000 4.028 278 S HA 0.148 4.619 4.470 0.002 0.000 0.098 278 S C 0.093 174.808 174.600 0.193 0.000 0.840 278 S CA 0.067 58.461 58.200 0.323 0.000 1.167 278 S CB -0.639 62.773 63.200 0.354 0.000 0.849 278 S HN 0.710 nan 8.310 nan 0.000 0.732 279 V N 0.924 120.917 119.914 0.131 0.000 3.264 279 V HA 0.331 4.452 4.120 0.002 0.000 0.262 279 V C 0.331 176.469 176.094 0.073 0.000 1.616 279 V CA 0.833 63.190 62.300 0.095 0.000 1.033 279 V CB 0.666 32.529 31.823 0.066 0.000 0.865 279 V HN 0.565 nan 8.190 nan 0.000 0.420 280 T N 1.518 116.112 114.554 0.067 0.000 2.859 280 T HA 0.449 4.800 4.350 0.002 0.000 0.281 280 T C -0.354 174.386 174.700 0.067 0.000 1.005 280 T CA -0.484 61.640 62.100 0.040 0.000 1.025 280 T CB 1.352 70.232 68.868 0.021 0.000 0.977 280 T HN 0.092 nan 8.240 nan 0.000 0.458 281 N N 1.925 120.653 118.700 0.047 0.000 2.470 281 N HA 0.370 5.111 4.740 0.002 0.000 0.268 281 N C 0.343 175.907 175.510 0.089 0.000 1.136 281 N CA -0.216 52.902 53.050 0.114 0.000 0.961 281 N CB 0.806 39.285 38.487 -0.013 0.000 1.067 281 N HN 0.895 nan 8.380 nan 0.000 0.468 282 A N 2.314 125.198 122.820 0.107 0.000 2.586 282 A HA 0.111 4.432 4.320 0.002 0.000 0.231 282 A C 0.307 177.930 177.584 0.065 0.000 1.055 282 A CA 0.361 52.427 52.037 0.049 0.000 0.756 282 A CB -0.041 18.968 19.000 0.015 0.000 0.988 282 A HN 0.561 nan 8.150 nan 0.000 0.509 283 T N 2.491 117.086 114.554 0.068 0.000 2.758 283 T HA 0.468 4.819 4.350 0.002 0.000 0.285 283 T C -0.115 174.662 174.700 0.130 0.000 0.981 283 T CA -0.135 62.019 62.100 0.089 0.000 0.965 283 T CB 0.894 69.819 68.868 0.095 0.000 0.927 283 T HN 0.548 nan 8.240 nan 0.000 0.448 284 S N 3.080 118.852 115.700 0.120 0.000 2.442 284 S HA 0.492 4.963 4.470 0.002 0.000 0.297 284 S C -0.056 174.699 174.600 0.259 0.000 1.131 284 S CA -0.700 57.600 58.200 0.167 0.000 1.092 284 S CB 0.328 63.568 63.200 0.066 0.000 0.998 284 S HN 0.467 nan 8.310 nan 0.000 0.478 285 I N 3.125 123.864 120.570 0.282 0.000 2.325 285 I HA 0.249 4.420 4.170 0.002 0.000 0.291 285 I C 0.505 176.733 176.117 0.184 0.000 1.019 285 I CA -0.031 61.436 61.300 0.277 0.000 1.302 285 I CB 0.930 39.157 38.000 0.379 0.000 1.401 285 I HN 0.580 nan 8.210 nan 0.000 0.485 286 Q N 6.350 126.225 119.800 0.125 0.000 2.267 286 Q HA 0.526 4.867 4.340 0.002 0.000 0.255 286 Q C -1.060 174.839 176.000 -0.168 0.000 0.923 286 Q CA -0.360 55.281 55.803 -0.269 0.000 0.925 286 Q CB 0.940 29.461 28.738 -0.361 0.000 1.195 286 Q HN 0.585 nan 8.270 nan 0.000 0.417 287 I N 4.127 124.578 120.570 -0.199 0.000 2.354 287 I HA 0.276 4.447 4.170 0.002 0.000 0.292 287 I C 0.547 176.612 176.117 -0.086 0.000 0.989 287 I CA -0.424 60.836 61.300 -0.067 0.000 1.188 287 I CB 1.665 39.663 38.000 -0.003 0.000 1.342 287 I HN 0.815 nan 8.210 nan 0.000 0.457 288 T N 2.929 117.405 114.554 -0.130 0.000 2.769 288 T HA 0.839 5.191 4.350 0.002 0.000 0.258 288 T C 0.664 175.129 174.700 -0.393 0.000 1.008 288 T CA 0.130 62.088 62.100 -0.236 0.000 1.021 288 T CB 0.990 69.736 68.868 -0.203 0.000 1.788 288 T HN 0.911 nan 8.240 nan 0.000 0.577 289 A N 1.323 123.854 122.820 -0.481 0.000 6.022 289 A HA -0.011 4.310 4.320 0.002 0.000 0.308 289 A C -2.105 174.911 177.584 -0.947 0.000 1.896 289 A CA 0.393 52.089 52.037 -0.569 0.000 0.781 289 A CB -2.845 15.955 19.000 -0.332 0.000 1.249 289 A HN 1.011 nan 8.150 nan 0.000 0.403 290 P HA 0.364 nan 4.420 nan 0.000 0.272 290 P C 0.823 177.925 177.300 -0.331 0.000 1.240 290 P CA 0.653 63.534 63.100 -0.366 0.000 0.791 290 P CB 0.649 32.217 31.700 -0.220 0.000 0.978 291 A N 1.825 124.518 122.820 -0.212 0.000 1.978 291 A HA -0.169 4.152 4.320 0.002 0.000 0.220 291 A C 2.157 179.644 177.584 -0.162 0.000 1.170 291 A CA 2.235 54.167 52.037 -0.175 0.000 0.636 291 A CB -1.741 17.187 19.000 -0.120 0.000 0.810 291 A HN 0.671 nan 8.150 nan 0.000 0.448 292 S N -2.149 113.475 115.700 -0.126 0.000 2.555 292 S HA 0.011 4.482 4.470 0.002 0.000 0.230 292 S C 1.558 176.083 174.600 -0.125 0.000 0.978 292 S CA 1.465 59.606 58.200 -0.099 0.000 0.934 292 S CB -0.143 63.069 63.200 0.020 0.000 0.766 292 S HN 0.359 nan 8.310 nan 0.000 0.533 293 M N 1.151 120.623 119.600 -0.213 0.000 2.738 293 M HA 0.478 4.959 4.480 0.002 0.000 0.256 293 M C 1.628 177.684 176.300 -0.406 0.000 1.253 293 M CA 0.920 56.034 55.300 -0.310 0.000 1.223 293 M CB -0.506 31.778 32.600 -0.525 0.000 1.263 293 M HN 0.216 nan 8.290 nan 0.000 0.521 294 L N 0.866 121.816 121.223 -0.456 0.000 2.349 294 L HA -0.173 4.168 4.340 0.002 0.000 0.220 294 L C 2.089 178.884 176.870 -0.125 0.000 1.130 294 L CA 0.792 55.450 54.840 -0.303 0.000 0.791 294 L CB -1.142 40.757 42.059 -0.267 0.000 0.918 294 L HN 0.429 nan 8.230 nan 0.000 0.444 295 I N -2.551 117.945 120.570 -0.124 0.000 2.530 295 I HA -0.003 4.168 4.170 0.002 0.000 0.257 295 I C 1.158 177.248 176.117 -0.044 0.000 1.179 295 I CA 1.063 62.314 61.300 -0.081 0.000 1.440 295 I CB -0.555 37.387 38.000 -0.096 0.000 1.087 295 I HN 0.142 nan 8.210 nan 0.000 0.440 296 G N 0.034 108.827 108.800 -0.011 0.000 2.753 296 G HA2 0.250 4.211 3.960 0.002 0.000 0.303 296 G HA3 0.250 4.211 3.960 0.002 0.000 0.303 296 G C -1.776 173.174 174.900 0.083 0.000 1.242 296 G CA -0.516 44.592 45.100 0.014 0.000 0.810 296 G HN 0.034 nan 8.290 nan 0.000 0.515 297 D N 1.386 121.786 120.400 -0.001 0.000 2.424 297 D HA 0.409 5.050 4.640 0.002 0.000 0.244 297 D C 0.296 176.531 176.300 -0.109 0.000 1.134 297 D CA 0.637 54.578 54.000 -0.100 0.000 0.881 297 D CB 0.466 41.174 40.800 -0.153 0.000 1.191 297 D HN 0.534 nan 8.370 nan 0.000 0.445 298 H N -0.501 118.428 119.070 -0.235 0.000 2.942 298 H HA 0.479 5.036 4.556 0.002 0.000 0.316 298 H C -1.286 173.902 175.328 -0.233 0.000 1.323 298 H CA -0.768 55.149 56.048 -0.218 0.000 1.144 298 H CB 0.500 30.262 29.762 0.000 0.000 1.866 298 H HN 0.294 nan 8.280 nan 0.000 0.545 299 Y N -0.361 120.168 120.300 0.382 0.000 2.609 299 Y HA 0.436 4.987 4.550 0.002 0.000 0.342 299 Y C -0.678 175.498 175.900 0.459 0.000 1.058 299 Y CA -1.183 57.137 58.100 0.366 0.000 1.055 299 Y CB 1.894 40.416 38.460 0.103 0.000 1.292 299 Y HN 0.482 nan 8.280 nan 0.000 0.476 300 L N 2.440 123.999 121.223 0.560 0.000 2.276 300 L HA 0.477 4.818 4.340 0.002 0.000 0.286 300 L C 0.082 176.967 176.870 0.025 0.000 1.024 300 L CA -0.547 54.293 54.840 -0.001 0.000 0.826 300 L CB 0.457 42.499 42.059 -0.028 0.000 1.211 300 L HN 0.924 nan 8.230 nan 0.000 0.422 301 C N 1.120 120.295 119.300 -0.209 0.000 3.104 301 C HA 0.563 5.024 4.460 0.002 0.000 0.284 301 C C 0.119 174.920 174.990 -0.315 0.000 1.326 301 C CA -0.519 58.292 59.018 -0.346 0.000 1.725 301 C CB -1.113 26.486 27.740 -0.235 0.000 2.156 301 C HN 0.858 nan 8.230 nan 0.000 0.638 302 D N 0.102 120.353 120.400 -0.249 0.000 2.721 302 D HA 0.275 4.916 4.640 0.002 0.000 0.221 302 D C -1.830 174.170 176.300 -0.499 0.000 1.208 302 D CA 0.103 53.976 54.000 -0.212 0.000 0.755 302 D CB 2.356 43.024 40.800 -0.220 0.000 1.732 302 D HN 0.316 nan 8.370 nan 0.000 0.490 303 V N 1.574 121.111 119.914 -0.629 0.000 2.623 303 V HA 0.827 4.948 4.120 0.002 0.000 0.304 303 V C -1.502 174.196 176.094 -0.659 0.000 1.054 303 V CA 0.090 61.829 62.300 -0.935 0.000 0.882 303 V CB 1.828 32.723 31.823 -1.547 0.000 1.002 303 V HN 0.573 nan 8.190 nan 0.000 0.424 304 T N 6.101 120.361 114.554 -0.489 0.000 3.011 304 T HA 0.417 4.768 4.350 0.002 0.000 0.303 304 T C -1.077 173.493 174.700 -0.218 0.000 0.997 304 T CA -0.117 61.857 62.100 -0.210 0.000 1.007 304 T CB 0.978 69.800 68.868 -0.077 0.000 1.017 304 T HN 0.781 nan 8.240 nan 0.000 0.443 305 W N 2.322 123.575 121.300 -0.078 0.000 2.304 305 W HA 0.491 5.152 4.660 0.002 0.000 0.313 305 W C 1.153 177.559 176.519 -0.187 0.000 1.323 305 W CA -0.401 56.891 57.345 -0.089 0.000 1.223 305 W CB 0.595 30.087 29.460 0.055 0.000 1.237 305 W HN 0.894 nan 8.180 nan 0.000 0.535 306 A N 2.368 125.053 122.820 -0.225 0.000 1.862 306 A HA 0.105 4.426 4.320 0.002 0.000 0.211 306 A C 1.157 178.721 177.584 -0.033 0.000 1.220 306 A CA 1.699 53.386 52.037 -0.583 0.000 0.616 306 A CB -0.639 17.605 19.000 -1.260 0.000 0.878 306 A HN 0.532 nan 8.150 nan 0.000 0.453 307 T N -5.274 109.339 114.554 0.098 0.000 2.633 307 T HA 0.365 4.716 4.350 0.002 0.000 0.262 307 T C 0.445 175.312 174.700 0.278 0.000 0.920 307 T CA -0.333 61.874 62.100 0.178 0.000 1.062 307 T CB 0.665 69.622 68.868 0.148 0.000 1.390 307 T HN 0.051 nan 8.240 nan 0.000 0.549 308 Q N 0.188 120.120 119.800 0.220 0.000 2.369 308 Q HA 0.102 4.443 4.340 0.002 0.000 0.206 308 Q C 0.754 176.993 176.000 0.399 0.000 0.963 308 Q CA 1.228 57.160 55.803 0.216 0.000 0.894 308 Q CB 0.017 28.845 28.738 0.150 0.000 0.965 308 Q HN 0.796 nan 8.270 nan 0.000 0.475 309 E N -0.286 120.156 120.200 0.403 0.000 2.810 309 E HA 0.193 4.544 4.350 0.002 0.000 0.214 309 E C -0.279 176.565 176.600 0.407 0.000 0.980 309 E CA -0.137 56.507 56.400 0.407 0.000 1.159 309 E CB 1.124 30.981 29.700 0.262 0.000 1.047 309 E HN -0.072 nan 8.360 nan 0.000 0.484 310 R N 1.671 122.437 120.500 0.444 0.000 2.502 310 R HA 0.527 4.868 4.340 0.002 0.000 0.300 310 R C -1.642 174.686 176.300 0.047 0.000 0.984 310 R CA -0.445 55.791 56.100 0.227 0.000 0.882 310 R CB 1.286 31.617 30.300 0.052 0.000 1.180 310 R HN 0.083 nan 8.270 nan 0.000 0.444 311 I N 2.932 123.382 120.570 -0.200 0.000 2.608 311 I HA 0.385 4.556 4.170 0.002 0.000 0.295 311 I C -0.727 175.085 176.117 -0.508 0.000 1.049 311 I CA -0.478 60.432 61.300 -0.649 0.000 1.063 311 I CB 2.229 39.395 38.000 -1.390 0.000 1.248 311 I HN 0.763 nan 8.210 nan 0.000 0.424 312 S N 7.306 122.697 115.700 -0.515 0.000 2.509 312 S HA 0.794 5.265 4.470 0.002 0.000 0.297 312 S C -1.033 173.258 174.600 -0.515 0.000 1.118 312 S CA -0.720 57.258 58.200 -0.369 0.000 1.074 312 S CB 1.929 65.035 63.200 -0.156 0.000 1.038 312 S HN 0.406 nan 8.310 nan 0.000 0.498 313 L N 1.768 122.703 121.223 -0.480 0.000 2.408 313 L HA 0.547 4.888 4.340 0.002 0.000 0.268 313 L C -0.394 176.150 176.870 -0.543 0.000 0.986 313 L CA -0.247 54.184 54.840 -0.680 0.000 0.820 313 L CB 1.967 43.561 42.059 -0.775 0.000 1.303 313 L HN 0.861 nan 8.230 nan 0.000 0.411 314 Q N 1.678 121.098 119.800 -0.633 0.000 2.333 314 Q HA 0.502 4.843 4.340 0.002 0.000 0.267 314 Q C -1.680 174.005 176.000 -0.525 0.000 1.012 314 Q CA -0.432 55.123 55.803 -0.415 0.000 0.824 314 Q CB 2.020 30.585 28.738 -0.289 0.000 1.290 314 Q HN 0.517 nan 8.270 nan 0.000 0.449 315 W N 2.737 123.990 121.300 -0.078 0.000 2.689 315 W HA 0.625 5.286 4.660 0.002 0.000 0.340 315 W C -0.947 175.602 176.519 0.051 0.000 1.060 315 W CA -0.669 56.679 57.345 0.004 0.000 1.218 315 W CB 1.118 30.563 29.460 -0.026 0.000 1.410 315 W HN 0.376 nan 8.180 nan 0.000 0.528 316 L N 2.659 124.103 121.223 0.368 0.000 2.410 316 L HA 0.564 4.905 4.340 0.002 0.000 0.270 316 L C -0.086 176.975 176.870 0.318 0.000 0.983 316 L CA -1.098 53.921 54.840 0.299 0.000 0.822 316 L CB 1.345 43.554 42.059 0.251 0.000 1.285 316 L HN 0.410 nan 8.230 nan 0.000 0.409 317 R N 2.306 122.956 120.500 0.250 0.000 2.738 317 R HA 0.209 4.550 4.340 0.002 0.000 0.268 317 R C 1.030 177.378 176.300 0.079 0.000 1.062 317 R CA -0.085 56.103 56.100 0.148 0.000 1.158 317 R CB 0.501 30.867 30.300 0.110 0.000 1.046 317 R HN 0.647 nan 8.270 nan 0.000 0.493 318 R N 1.217 121.668 120.500 -0.081 0.000 2.159 318 R HA -0.077 4.264 4.340 0.002 0.000 0.237 318 R C 0.347 176.685 176.300 0.064 0.000 1.131 318 R CA 1.123 57.144 56.100 -0.132 0.000 0.982 318 R CB 0.187 30.376 30.300 -0.184 0.000 0.868 318 R HN 0.380 nan 8.270 nan 0.000 0.453 319 I N 2.903 123.503 120.570 0.049 0.000 2.256 319 I HA 0.018 4.189 4.170 0.002 0.000 0.294 319 I C 0.165 176.340 176.117 0.096 0.000 1.127 319 I CA 0.259 61.594 61.300 0.058 0.000 1.247 319 I CB 0.838 38.857 38.000 0.033 0.000 1.460 319 I HN 0.259 nan 8.210 nan 0.000 0.511 320 Q N 3.288 123.150 119.800 0.103 0.000 2.285 320 Q HA -0.095 4.246 4.340 0.002 0.000 0.191 320 Q C 1.068 177.148 176.000 0.133 0.000 0.860 320 Q CA 0.118 55.994 55.803 0.121 0.000 1.015 320 Q CB -0.172 28.599 28.738 0.055 0.000 1.118 320 Q HN 0.450 nan 8.270 nan 0.000 0.455 321 N N -0.424 118.354 118.700 0.131 0.000 2.388 321 N HA -0.030 4.711 4.740 0.002 0.000 0.176 321 N C -1.082 174.537 175.510 0.182 0.000 1.062 321 N CA 0.412 53.533 53.050 0.119 0.000 0.895 321 N CB 0.553 39.097 38.487 0.096 0.000 1.018 321 N HN 0.293 nan 8.380 nan 0.000 0.456 322 Y N 0.390 120.713 120.300 0.038 0.000 2.396 322 Y HA 0.435 4.986 4.550 0.002 0.000 0.332 322 Y C -0.931 175.003 175.900 0.056 0.000 1.034 322 Y CA -1.129 56.993 58.100 0.037 0.000 1.057 322 Y CB 1.174 39.648 38.460 0.024 0.000 1.220 322 Y HN -0.056 nan 8.280 nan 0.000 0.440 323 S N 4.149 119.777 115.700 -0.119 0.000 2.599 323 S HA 0.930 5.401 4.470 0.002 0.000 0.287 323 S C -1.936 172.562 174.600 -0.170 0.000 1.105 323 S CA -0.742 57.438 58.200 -0.033 0.000 0.899 323 S CB 1.956 65.149 63.200 -0.013 0.000 1.100 323 S HN 0.515 nan 8.310 nan 0.000 0.482 324 V N 2.582 122.495 119.914 -0.002 0.000 2.623 324 V HA 0.500 4.621 4.120 0.002 0.000 0.304 324 V C -0.629 175.502 176.094 0.061 0.000 1.054 324 V CA -0.595 61.707 62.300 0.003 0.000 0.882 324 V CB 1.795 33.663 31.823 0.076 0.000 1.002 324 V HN 1.037 nan 8.190 nan 0.000 0.424 325 M N 3.908 123.512 119.600 0.007 0.000 2.180 325 M HA 0.516 4.997 4.480 0.002 0.000 0.350 325 M C -1.218 175.104 176.300 0.037 0.000 1.125 325 M CA -0.237 55.048 55.300 -0.026 0.000 1.031 325 M CB 1.026 33.554 32.600 -0.120 0.000 1.623 325 M HN 0.611 nan 8.290 nan 0.000 0.451 326 D N 5.315 125.731 120.400 0.027 0.000 2.192 326 D HA 0.504 5.145 4.640 0.002 0.000 0.246 326 D C -0.997 175.291 176.300 -0.020 0.000 1.042 326 D CA -0.076 53.942 54.000 0.030 0.000 0.847 326 D CB 1.724 42.570 40.800 0.076 0.000 1.186 326 D HN 0.608 nan 8.370 nan 0.000 0.461 327 I N 2.709 123.290 120.570 0.018 0.000 2.382 327 I HA 0.277 4.448 4.170 0.002 0.000 0.286 327 I C -0.476 175.651 176.117 0.016 0.000 1.002 327 I CA -0.595 60.712 61.300 0.012 0.000 1.135 327 I CB 1.262 39.330 38.000 0.113 0.000 1.288 327 I HN 0.168 nan 8.210 nan 0.000 0.448 328 c N 3.891 122.490 118.600 -0.002 0.000 2.382 328 c HA 0.549 5.120 4.570 0.002 0.000 0.327 328 c C -0.280 173.944 174.090 0.225 0.000 1.250 328 c CA -0.717 55.674 56.329 0.103 0.000 1.707 328 c CB 1.018 43.591 42.510 0.105 0.000 2.272 328 c HN 0.596 nan 8.230 nan 0.000 0.506 329 D N 0.265 120.781 120.400 0.193 0.000 2.248 329 D HA 0.354 4.995 4.640 0.002 0.000 0.246 329 D C -0.630 175.613 176.300 -0.095 0.000 1.027 329 D CA -0.224 53.841 54.000 0.110 0.000 0.853 329 D CB 0.805 41.626 40.800 0.034 0.000 1.243 329 D HN 0.559 nan 8.370 nan 0.000 0.462 330 Y N 1.624 121.574 120.300 -0.584 0.000 2.425 330 Y HA 0.181 4.732 4.550 0.002 0.000 0.331 330 Y C -0.061 175.554 175.900 -0.474 0.000 1.157 330 Y CA 0.111 57.561 58.100 -1.083 0.000 1.372 330 Y CB 0.717 38.476 38.460 -1.169 0.000 1.253 330 Y HN 0.201 nan 8.280 nan 0.000 0.536 331 D N 5.309 124.942 120.400 -1.279 0.000 2.454 331 D HA 0.091 4.732 4.640 0.002 0.000 0.225 331 D C 0.723 176.395 176.300 -1.047 0.000 1.081 331 D CA -0.140 53.368 54.000 -0.821 0.000 0.864 331 D CB 1.029 41.543 40.800 -0.478 0.000 1.040 331 D HN 0.852 nan 8.370 nan 0.000 0.517 332 E N 1.601 121.424 120.200 -0.628 0.000 2.068 332 E HA -0.166 4.185 4.350 0.002 0.000 0.207 332 E C 0.371 176.878 176.600 -0.156 0.000 1.032 332 E CA 1.341 57.603 56.400 -0.230 0.000 0.839 332 E CB 0.149 29.838 29.700 -0.019 0.000 0.758 332 E HN 0.182 nan 8.360 nan 0.000 0.457 333 S N -0.554 115.060 115.700 -0.143 0.000 3.548 333 S HA 0.285 4.756 4.470 0.002 0.000 0.195 333 S C -0.226 174.312 174.600 -0.104 0.000 1.432 333 S CA 0.020 58.170 58.200 -0.083 0.000 1.087 333 S CB 0.499 63.667 63.200 -0.053 0.000 1.337 333 S HN 0.140 nan 8.310 nan 0.000 0.505 334 S N -0.318 115.303 115.700 -0.133 0.000 2.571 334 S HA 0.281 4.752 4.470 0.002 0.000 0.205 334 S C 1.344 175.899 174.600 -0.076 0.000 0.865 334 S CA 0.074 58.208 58.200 -0.110 0.000 1.315 334 S CB -0.178 62.927 63.200 -0.157 0.000 0.952 334 S HN 0.702 nan 8.310 nan 0.000 0.363 335 G N 2.055 110.762 108.800 -0.156 0.000 2.299 335 G HA2 -0.304 3.657 3.960 0.002 0.000 0.237 335 G HA3 -0.304 3.657 3.960 0.002 0.000 0.237 335 G C 0.033 175.004 174.900 0.119 0.000 1.027 335 G CA 0.552 45.695 45.100 0.072 0.000 0.619 335 G HN 0.656 nan 8.290 nan 0.000 0.513 336 R N -0.559 119.928 120.500 -0.022 0.000 2.549 336 R HA 0.718 5.059 4.340 0.002 0.000 0.259 336 R C -0.606 175.656 176.300 -0.064 0.000 1.095 336 R CA -0.779 55.387 56.100 0.112 0.000 1.148 336 R CB 0.166 30.535 30.300 0.114 0.000 1.181 336 R HN 0.253 nan 8.270 nan 0.000 0.571 337 W N -0.402 120.911 121.300 0.022 0.000 2.551 337 W HA 0.475 5.136 4.660 0.002 0.000 0.330 337 W C -0.732 175.768 176.519 -0.033 0.000 1.063 337 W CA -0.566 56.779 57.345 -0.000 0.000 1.222 337 W CB 1.130 30.595 29.460 0.009 0.000 1.349 337 W HN 0.500 nan 8.180 nan 0.000 0.536 338 N N 1.478 120.265 118.700 0.146 0.000 2.342 338 N HA 0.524 5.265 4.740 0.002 0.000 0.293 338 N C -1.628 173.928 175.510 0.076 0.000 1.026 338 N CA -0.572 52.521 53.050 0.070 0.000 0.857 338 N CB 1.214 39.702 38.487 0.001 0.000 1.256 338 N HN 0.190 nan 8.380 nan 0.000 0.484 339 c N 2.839 121.466 118.600 0.046 0.000 2.258 339 c HA 0.371 4.942 4.570 0.002 0.000 0.321 339 c C 0.310 174.402 174.090 0.004 0.000 1.168 339 c CA -1.081 55.264 56.329 0.027 0.000 1.531 339 c CB -1.218 41.299 42.510 0.010 0.000 2.095 339 c HN 0.605 nan 8.230 nan 0.000 0.449 340 L N 3.326 124.553 121.223 0.006 0.000 2.477 340 L HA 0.166 4.507 4.340 0.002 0.000 0.272 340 L C 0.781 177.638 176.870 -0.021 0.000 1.157 340 L CA 0.296 55.131 54.840 -0.008 0.000 0.889 340 L CB 0.296 42.354 42.059 -0.002 0.000 1.158 340 L HN 0.540 nan 8.230 nan 0.000 0.473 341 V N 5.411 125.306 119.914 -0.032 0.000 3.287 341 V HA 0.271 4.392 4.120 0.002 0.000 0.306 341 V C 1.236 177.300 176.094 -0.050 0.000 1.103 341 V CA 0.881 63.155 62.300 -0.044 0.000 1.159 341 V CB 1.108 32.906 31.823 -0.043 0.000 1.036 341 V HN 1.114 nan 8.190 nan 0.000 0.487 342 A N 3.355 126.132 122.820 -0.071 0.000 4.018 342 A HA -0.269 4.052 4.320 0.002 0.000 0.252 342 A C 1.769 179.284 177.584 -0.115 0.000 0.872 342 A CA 1.663 53.651 52.037 -0.082 0.000 1.417 342 A CB -1.811 17.159 19.000 -0.051 0.000 1.002 342 A HN 1.062 nan 8.150 nan 0.000 0.777 343 R N 0.659 121.104 120.500 -0.093 0.000 2.362 343 R HA 0.153 4.494 4.340 0.002 0.000 0.227 343 R C 0.742 176.959 176.300 -0.139 0.000 0.905 343 R CA 0.770 56.829 56.100 -0.068 0.000 1.067 343 R CB 0.016 30.330 30.300 0.023 0.000 1.078 343 R HN 0.858 nan 8.270 nan 0.000 0.516 344 Q N -0.349 119.328 119.800 -0.204 0.000 2.205 344 Q HA 0.255 4.596 4.340 0.002 0.000 0.249 344 Q C -1.266 174.488 176.000 -0.409 0.000 0.948 344 Q CA -0.636 55.071 55.803 -0.160 0.000 0.895 344 Q CB 1.337 30.038 28.738 -0.061 0.000 1.249 344 Q HN 0.168 nan 8.270 nan 0.000 0.458 345 H N 0.064 119.130 119.070 -0.007 0.000 2.600 345 H HA 0.498 5.055 4.556 0.002 0.000 0.357 345 H C -0.920 174.365 175.328 -0.071 0.000 1.106 345 H CA -0.607 55.436 56.048 -0.009 0.000 1.193 345 H CB 1.517 31.283 29.762 0.007 0.000 1.594 345 H HN 0.525 nan 8.280 nan 0.000 0.526 346 I N 1.777 122.351 120.570 0.007 0.000 2.385 346 I HA 0.257 4.428 4.170 0.002 0.000 0.294 346 I C -0.000 176.042 176.117 -0.124 0.000 0.988 346 I CA -0.257 60.945 61.300 -0.164 0.000 1.265 346 I CB 1.367 39.224 38.000 -0.237 0.000 1.388 346 I HN 0.554 nan 8.210 nan 0.000 0.480 347 E N 7.957 128.032 120.200 -0.207 0.000 2.241 347 E HA 0.612 4.963 4.350 0.002 0.000 0.263 347 E C -1.301 175.202 176.600 -0.162 0.000 0.882 347 E CA -0.674 55.660 56.400 -0.111 0.000 0.769 347 E CB 1.558 31.221 29.700 -0.063 0.000 1.185 347 E HN 0.606 nan 8.360 nan 0.000 0.415 348 M N 1.031 120.577 119.600 -0.090 0.000 2.664 348 M HA 0.634 5.115 4.480 0.002 0.000 0.279 348 M C -0.998 175.300 176.300 -0.005 0.000 1.275 348 M CA -0.969 54.309 55.300 -0.037 0.000 0.829 348 M CB 2.273 34.880 32.600 0.013 0.000 1.727 348 M HN 0.200 nan 8.290 nan 0.000 0.459 349 S N -0.817 114.883 115.700 -0.000 0.000 2.546 349 S HA 0.655 5.127 4.470 0.002 0.000 0.274 349 S C 0.031 174.608 174.600 -0.038 0.000 1.121 349 S CA 0.110 58.288 58.200 -0.037 0.000 0.887 349 S CB 1.915 65.051 63.200 -0.106 0.000 1.094 349 S HN 1.004 nan 8.310 nan 0.000 0.474 350 T N -0.537 113.993 114.554 -0.041 0.000 3.023 350 T HA 0.121 4.472 4.350 0.002 0.000 0.253 350 T C 1.400 176.061 174.700 -0.064 0.000 1.038 350 T CA 0.802 62.883 62.100 -0.033 0.000 0.962 350 T CB -0.267 68.595 68.868 -0.009 0.000 1.018 350 T HN 0.682 nan 8.240 nan 0.000 0.521 351 T N -2.025 112.465 114.554 -0.107 0.000 3.040 351 T HA 0.596 4.947 4.350 0.002 0.000 0.252 351 T C 1.188 175.664 174.700 -0.374 0.000 1.064 351 T CA 0.499 62.526 62.100 -0.123 0.000 1.110 351 T CB 0.320 69.192 68.868 0.006 0.000 0.921 351 T HN 0.586 nan 8.240 nan 0.000 0.480 352 G N 0.258 108.627 108.800 -0.719 0.000 2.791 352 G HA2 0.496 4.457 3.960 0.002 0.000 0.158 352 G HA3 0.496 4.457 3.960 0.002 0.000 0.158 352 G C -1.611 172.950 174.900 -0.565 0.000 1.193 352 G CA -0.575 43.866 45.100 -1.098 0.000 1.032 352 G HN 0.504 nan 8.290 nan 0.000 0.557 353 W N -0.211 120.828 121.300 -0.435 0.000 2.492 353 W HA 0.775 5.436 4.660 0.002 0.000 0.373 353 W C -0.459 176.021 176.519 -0.065 0.000 1.323 353 W CA -1.314 55.922 57.345 -0.181 0.000 1.406 353 W CB 0.604 29.950 29.460 -0.190 0.000 1.398 353 W HN 0.275 nan 8.180 nan 0.000 0.671 354 V N 2.740 122.734 119.914 0.133 0.000 2.439 354 V HA 0.713 4.834 4.120 0.002 0.000 0.282 354 V C 0.785 176.951 176.094 0.121 0.000 1.039 354 V CA 0.289 62.622 62.300 0.054 0.000 0.913 354 V CB 0.058 31.911 31.823 0.050 0.000 0.983 354 V HN 1.308 nan 8.190 nan 0.000 0.460 355 G N 4.902 113.722 108.800 0.034 0.000 2.828 355 G HA2 -0.203 3.758 3.960 0.002 0.000 0.463 355 G HA3 -0.203 3.758 3.960 0.002 0.000 0.463 355 G C 0.359 175.312 174.900 0.090 0.000 1.394 355 G CA 0.292 45.427 45.100 0.057 0.000 0.862 355 G HN 0.667 nan 8.290 nan 0.000 0.540 356 R N -1.005 119.524 120.500 0.049 0.000 2.062 356 R HA 0.160 4.501 4.340 0.002 0.000 0.229 356 R C 1.980 178.178 176.300 -0.170 0.000 1.128 356 R CA 2.104 58.160 56.100 -0.074 0.000 0.960 356 R CB -0.080 30.142 30.300 -0.129 0.000 0.855 356 R HN 0.470 nan 8.270 nan 0.000 0.432 357 F N -1.122 118.953 119.950 0.208 0.000 2.784 357 F HA 0.254 4.782 4.527 0.002 0.000 0.316 357 F C 0.407 176.228 175.800 0.035 0.000 1.026 357 F CA -0.353 57.721 58.000 0.124 0.000 1.188 357 F CB 0.724 39.790 39.000 0.109 0.000 0.999 357 F HN -0.137 nan 8.300 nan 0.000 0.605 358 R N -0.801 119.821 120.500 0.202 0.000 2.712 358 R HA 0.452 4.793 4.340 0.002 0.000 0.272 358 R C -3.332 173.007 176.300 0.065 0.000 1.032 358 R CA -1.819 54.326 56.100 0.075 0.000 0.874 358 R CB 0.573 30.864 30.300 -0.015 0.000 1.256 358 R HN -0.338 nan 8.270 nan 0.000 0.468 359 P HA -0.043 nan 4.420 nan 0.000 0.266 359 P C -0.276 177.022 177.300 -0.003 0.000 1.193 359 P CA 0.151 63.249 63.100 -0.004 0.000 0.770 359 P CB 0.664 32.335 31.700 -0.048 0.000 0.836 360 S N 1.124 116.830 115.700 0.009 0.000 2.600 360 S HA 0.101 4.573 4.470 0.002 0.000 0.265 360 S C 0.058 174.644 174.600 -0.023 0.000 1.325 360 S CA -0.680 57.539 58.200 0.033 0.000 1.002 360 S CB 0.469 63.709 63.200 0.067 0.000 0.921 360 S HN 0.574 nan 8.310 nan 0.000 0.554 361 E N 1.688 121.893 120.200 0.009 0.000 2.301 361 E HA 0.375 4.726 4.350 0.002 0.000 0.275 361 E C -2.443 174.095 176.600 -0.104 0.000 1.030 361 E CA -2.290 54.069 56.400 -0.069 0.000 0.852 361 E CB 0.827 30.506 29.700 -0.035 0.000 1.060 361 E HN 0.501 nan 8.360 nan 0.000 0.401 362 P HA 0.212 nan 4.420 nan 0.000 0.282 362 P C -1.189 175.914 177.300 -0.328 0.000 1.259 362 P CA -0.397 62.483 63.100 -0.367 0.000 0.826 362 P CB 1.038 32.173 31.700 -0.943 0.000 1.064 363 H N 1.624 120.647 119.070 -0.079 0.000 2.860 363 H HA 0.295 4.852 4.556 0.002 0.000 0.312 363 H C -0.370 175.033 175.328 0.126 0.000 0.995 363 H CA -0.325 55.786 56.048 0.105 0.000 1.311 363 H CB 0.378 30.244 29.762 0.172 0.000 1.478 363 H HN 0.301 nan 8.280 nan 0.000 0.508 364 F N 1.959 122.083 119.950 0.290 0.000 2.399 364 F HA 0.066 4.594 4.527 0.002 0.000 0.342 364 F C 1.575 177.562 175.800 0.311 0.000 1.106 364 F CA -0.401 57.785 58.000 0.310 0.000 1.196 364 F CB 0.948 40.074 39.000 0.209 0.000 1.163 364 F HN 0.357 nan 8.300 nan 0.000 0.547 365 T N 0.842 115.686 114.554 0.483 0.000 2.868 365 T HA 0.149 4.500 4.350 0.002 0.000 0.292 365 T C 1.188 176.076 174.700 0.315 0.000 1.028 365 T CA -0.832 61.495 62.100 0.378 0.000 1.059 365 T CB 0.874 69.950 68.868 0.347 0.000 0.991 365 T HN 0.627 nan 8.240 nan 0.000 0.531 366 L N 1.306 122.672 121.223 0.239 0.000 2.030 366 L HA -0.233 4.108 4.340 0.002 0.000 0.222 366 L C 2.081 179.061 176.870 0.184 0.000 1.082 366 L CA 2.726 57.681 54.840 0.191 0.000 0.785 366 L CB -0.969 41.179 42.059 0.148 0.000 0.895 366 L HN 0.966 nan 8.230 nan 0.000 0.439 367 D N -1.227 119.281 120.400 0.179 0.000 2.363 367 D HA 0.058 4.699 4.640 0.002 0.000 0.226 367 D C 1.609 178.018 176.300 0.182 0.000 1.020 367 D CA 0.732 54.826 54.000 0.158 0.000 0.892 367 D CB -0.728 40.152 40.800 0.133 0.000 0.900 367 D HN 0.555 nan 8.370 nan 0.000 0.531 368 G N 0.703 109.653 108.800 0.250 0.000 2.187 368 G HA2 -0.408 3.553 3.960 0.002 0.000 0.261 368 G HA3 -0.408 3.553 3.960 0.002 0.000 0.261 368 G C 0.670 175.771 174.900 0.335 0.000 1.000 368 G CA 0.591 45.872 45.100 0.302 0.000 0.718 368 G HN 0.530 nan 8.290 nan 0.000 0.519 369 N N -0.257 118.604 118.700 0.269 0.000 2.280 369 N HA 0.329 5.070 4.740 0.002 0.000 0.192 369 N C 0.565 176.177 175.510 0.171 0.000 1.109 369 N CA 0.535 53.708 53.050 0.205 0.000 0.855 369 N CB 0.382 38.946 38.487 0.127 0.000 0.974 369 N HN 0.615 nan 8.380 nan 0.000 0.482 370 S N -0.184 115.647 115.700 0.218 0.000 2.565 370 S HA 0.685 5.156 4.470 0.002 0.000 0.269 370 S C -1.232 173.401 174.600 0.055 0.000 1.153 370 S CA -1.085 57.096 58.200 -0.030 0.000 0.835 370 S CB 1.382 64.496 63.200 -0.143 0.000 1.122 370 S HN 0.164 nan 8.310 nan 0.000 0.462 371 F N -1.729 118.063 119.950 -0.264 0.000 2.686 371 F HA 0.843 5.372 4.527 0.002 0.000 0.311 371 F C -2.213 173.428 175.800 -0.265 0.000 1.128 371 F CA -1.564 56.227 58.000 -0.348 0.000 0.946 371 F CB 0.584 38.979 39.000 -1.009 0.000 1.336 371 F HN 0.599 nan 8.300 nan 0.000 0.457 372 Y N 1.201 121.676 120.300 0.291 0.000 2.393 372 Y HA 0.692 5.243 4.550 0.002 0.000 0.341 372 Y C -0.502 175.565 175.900 0.277 0.000 0.988 372 Y CA -0.836 57.421 58.100 0.262 0.000 1.078 372 Y CB 2.176 40.718 38.460 0.137 0.000 1.203 372 Y HN 0.742 nan 8.280 nan 0.000 0.453 373 K N 1.067 121.696 120.400 0.382 0.000 2.562 373 K HA 0.598 4.919 4.320 0.002 0.000 0.267 373 K C -1.908 174.818 176.600 0.210 0.000 0.938 373 K CA -0.672 55.768 56.287 0.256 0.000 0.840 373 K CB 1.298 33.860 32.500 0.104 0.000 1.390 373 K HN 0.572 nan 8.250 nan 0.000 0.428 374 I N 3.804 124.467 120.570 0.154 0.000 2.496 374 I HA 0.329 4.500 4.170 0.002 0.000 0.285 374 I C 0.128 176.319 176.117 0.124 0.000 1.080 374 I CA -0.387 60.989 61.300 0.125 0.000 1.404 374 I CB 0.189 38.244 38.000 0.092 0.000 1.403 374 I HN 0.663 nan 8.210 nan 0.000 0.539 375 I N 1.719 122.390 120.570 0.169 0.000 3.006 375 I HA 0.437 4.609 4.170 0.002 0.000 0.306 375 I C -0.347 175.883 176.117 0.190 0.000 1.250 375 I CA -0.840 60.561 61.300 0.169 0.000 0.996 375 I CB 2.078 40.203 38.000 0.208 0.000 1.261 375 I HN 0.340 nan 8.210 nan 0.000 0.442 376 S N 2.556 118.313 115.700 0.095 0.000 2.533 376 S HA 0.221 4.692 4.470 0.002 0.000 0.282 376 S C 0.224 174.859 174.600 0.058 0.000 1.304 376 S CA -0.219 57.987 58.200 0.010 0.000 1.063 376 S CB -0.221 62.937 63.200 -0.070 0.000 0.881 376 S HN 0.662 nan 8.310 nan 0.000 0.493 377 N N 2.190 120.834 118.700 -0.094 0.000 2.235 377 N HA 0.019 4.760 4.740 0.002 0.000 0.231 377 N C 1.049 176.470 175.510 -0.148 0.000 1.330 377 N CA -0.050 52.814 53.050 -0.311 0.000 0.898 377 N CB 0.251 38.568 38.487 -0.283 0.000 1.151 377 N HN 0.775 nan 8.380 nan 0.000 0.472 378 E N 0.288 120.379 120.200 -0.182 0.000 2.358 378 E HA -0.048 4.303 4.350 0.002 0.000 0.195 378 E C 0.815 177.374 176.600 -0.069 0.000 1.010 378 E CA 1.031 57.384 56.400 -0.080 0.000 0.856 378 E CB 0.072 29.729 29.700 -0.072 0.000 0.795 378 E HN 0.553 nan 8.360 nan 0.000 0.504 379 E N -1.277 118.877 120.200 -0.077 0.000 2.479 379 E HA 0.084 4.435 4.350 0.002 0.000 0.193 379 E C 0.432 177.068 176.600 0.061 0.000 1.049 379 E CA 0.447 56.851 56.400 0.007 0.000 0.870 379 E CB 0.148 29.851 29.700 0.005 0.000 0.944 379 E HN 0.370 nan 8.360 nan 0.000 0.492 380 G N 0.711 109.484 108.800 -0.045 0.000 2.157 380 G HA2 -0.265 3.697 3.960 0.002 0.000 0.239 380 G HA3 -0.265 3.697 3.960 0.002 0.000 0.239 380 G C -0.404 174.279 174.900 -0.360 0.000 0.982 380 G CA 0.177 45.157 45.100 -0.201 0.000 0.650 380 G HN 0.197 nan 8.290 nan 0.000 0.527 381 Y N 0.422 120.589 120.300 -0.221 0.000 2.360 381 Y HA 0.660 5.211 4.550 0.002 0.000 0.337 381 Y C 1.111 176.816 175.900 -0.324 0.000 1.039 381 Y CA -1.000 56.935 58.100 -0.274 0.000 1.109 381 Y CB 1.040 39.347 38.460 -0.256 0.000 1.201 381 Y HN 0.079 nan 8.280 nan 0.000 0.458 382 R N 3.749 124.070 120.500 -0.298 0.000 2.296 382 R HA 0.276 4.617 4.340 0.002 0.000 0.323 382 R C -0.738 175.239 176.300 -0.538 0.000 1.067 382 R CA -0.051 55.887 56.100 -0.271 0.000 0.946 382 R CB 0.107 30.299 30.300 -0.181 0.000 0.991 382 R HN 0.662 nan 8.270 nan 0.000 0.448 383 H N 1.705 120.741 119.070 -0.056 0.000 2.949 383 H HA 0.333 4.890 4.556 0.002 0.000 0.356 383 H C -0.048 175.339 175.328 0.098 0.000 1.212 383 H CA -0.972 55.026 56.048 -0.084 0.000 1.136 383 H CB 1.557 31.196 29.762 -0.206 0.000 1.869 383 H HN 0.322 nan 8.280 nan 0.000 0.556 384 I N 1.377 122.030 120.570 0.140 0.000 2.452 384 I HA 0.021 4.193 4.170 0.002 0.000 0.287 384 I C 0.437 176.591 176.117 0.061 0.000 1.079 384 I CA 0.185 61.534 61.300 0.083 0.000 1.387 384 I CB 0.195 38.165 38.000 -0.050 0.000 1.404 384 I HN 0.117 nan 8.210 nan 0.000 0.522 385 c N 7.337 125.921 118.600 -0.026 0.000 2.355 385 c HA 0.411 4.982 4.570 0.002 0.000 0.332 385 c C -0.288 173.694 174.090 -0.180 0.000 1.255 385 c CA -0.458 55.624 56.329 -0.411 0.000 1.792 385 c CB 0.869 42.895 42.510 -0.806 0.000 2.300 385 c HN 0.636 nan 8.230 nan 0.000 0.515 386 Y N 5.003 124.970 120.300 -0.555 0.000 2.335 386 Y HA 0.667 5.218 4.550 0.002 0.000 0.339 386 Y C -1.020 174.424 175.900 -0.760 0.000 0.987 386 Y CA -0.892 56.843 58.100 -0.609 0.000 1.140 386 Y CB 0.179 38.352 38.460 -0.479 0.000 1.173 386 Y HN 0.604 nan 8.280 nan 0.000 0.486 387 F N 3.114 122.368 119.950 -1.160 0.000 2.538 387 F HA 0.529 5.057 4.527 0.002 0.000 0.325 387 F C -0.377 174.679 175.800 -1.240 0.000 1.066 387 F CA -1.024 56.219 58.000 -1.261 0.000 0.946 387 F CB 1.683 39.616 39.000 -1.779 0.000 1.199 387 F HN 0.256 nan 8.300 nan 0.000 0.473 388 Q N 1.718 121.174 119.800 -0.574 0.000 2.348 388 Q HA 0.376 4.717 4.340 0.002 0.000 0.265 388 Q C 1.024 176.970 176.000 -0.089 0.000 0.998 388 Q CA -0.286 55.306 55.803 -0.351 0.000 0.831 388 Q CB 1.417 30.000 28.738 -0.259 0.000 1.251 388 Q HN 0.692 nan 8.270 nan 0.000 0.456 389 I N -0.675 119.916 120.570 0.035 0.000 2.479 389 I HA -0.262 3.909 4.170 0.002 0.000 0.258 389 I C 0.012 176.317 176.117 0.313 0.000 1.165 389 I CA 1.794 63.288 61.300 0.323 0.000 1.422 389 I CB -0.012 38.206 38.000 0.364 0.000 1.087 389 I HN 0.470 nan 8.210 nan 0.000 0.441 390 D N -0.637 119.850 120.400 0.145 0.000 2.501 390 D HA 0.253 4.894 4.640 0.002 0.000 0.224 390 D C -0.128 176.187 176.300 0.025 0.000 1.202 390 D CA -0.349 53.688 54.000 0.060 0.000 0.829 390 D CB 0.220 41.039 40.800 0.032 0.000 1.023 390 D HN 0.146 nan 8.370 nan 0.000 0.499 391 K N 0.674 121.116 120.400 0.071 0.000 2.376 391 K HA 0.312 4.633 4.320 0.002 0.000 0.257 391 K C 0.947 177.595 176.600 0.079 0.000 0.939 391 K CA -0.760 55.537 56.287 0.017 0.000 0.809 391 K CB 1.915 34.380 32.500 -0.059 0.000 1.121 391 K HN 0.007 nan 8.250 nan 0.000 0.425 392 K N 0.493 120.905 120.400 0.020 0.000 2.002 392 K HA -0.038 4.283 4.320 0.002 0.000 0.209 392 K C -0.250 176.368 176.600 0.030 0.000 1.048 392 K CA 1.144 57.460 56.287 0.047 0.000 0.930 392 K CB -0.042 32.456 32.500 -0.003 0.000 0.714 392 K HN 0.365 nan 8.250 nan 0.000 0.438 393 D N 1.927 122.287 120.400 -0.067 0.000 2.312 393 D HA 0.103 4.744 4.640 0.002 0.000 0.252 393 D C 0.339 176.439 176.300 -0.332 0.000 1.150 393 D CA -0.282 53.623 54.000 -0.158 0.000 0.870 393 D CB 1.129 41.859 40.800 -0.117 0.000 1.153 393 D HN 0.405 nan 8.370 nan 0.000 0.457 394 c N 0.998 119.241 118.600 -0.596 0.000 2.352 394 c HA 0.768 5.339 4.570 0.002 0.000 0.387 394 c C 0.432 174.133 174.090 -0.649 0.000 1.294 394 c CA -0.535 55.209 56.329 -0.975 0.000 2.137 394 c CB 0.911 42.138 42.510 -2.138 0.000 2.146 394 c HN 0.467 nan 8.230 nan 0.000 0.559 395 T N 1.143 115.344 114.554 -0.587 0.000 2.840 395 T HA 0.478 4.829 4.350 0.002 0.000 0.287 395 T C -0.878 173.631 174.700 -0.318 0.000 0.991 395 T CA 0.135 62.060 62.100 -0.290 0.000 0.964 395 T CB 0.355 69.208 68.868 -0.026 0.000 0.954 395 T HN 0.458 nan 8.240 nan 0.000 0.438 396 F N 3.624 123.476 119.950 -0.162 0.000 2.504 396 F HA 0.252 4.780 4.527 0.002 0.000 0.369 396 F C 1.697 177.348 175.800 -0.247 0.000 1.082 396 F CA -0.742 57.147 58.000 -0.186 0.000 1.216 396 F CB 0.423 39.316 39.000 -0.179 0.000 1.108 396 F HN 0.585 nan 8.300 nan 0.000 0.554 397 I N -0.399 120.045 120.570 -0.211 0.000 3.860 397 I HA 0.195 4.366 4.170 0.002 0.000 0.319 397 I C 0.325 176.264 176.117 -0.297 0.000 1.279 397 I CA 0.194 61.141 61.300 -0.589 0.000 1.220 397 I CB -0.080 37.286 38.000 -1.057 0.000 1.027 397 I HN 0.508 nan 8.210 nan 0.000 0.428 398 T N 0.065 114.510 114.554 -0.182 0.000 2.901 398 T HA 0.727 5.078 4.350 0.002 0.000 0.293 398 T C -0.695 173.649 174.700 -0.593 0.000 1.084 398 T CA -0.699 61.271 62.100 -0.216 0.000 1.008 398 T CB 2.683 71.487 68.868 -0.108 0.000 1.170 398 T HN 0.512 nan 8.240 nan 0.000 0.509 399 K N -0.632 119.253 120.400 -0.858 0.000 2.658 399 K HA 0.732 5.053 4.320 0.002 0.000 0.293 399 K C -0.511 175.549 176.600 -0.900 0.000 1.026 399 K CA -0.789 54.736 56.287 -1.270 0.000 0.871 399 K CB 1.121 33.252 32.500 -0.616 0.000 1.524 399 K HN 1.709 nan 8.250 nan 0.000 0.400 400 G N -0.085 108.239 108.800 -0.792 0.000 2.340 400 G HA2 0.095 4.056 3.960 0.002 0.000 0.527 400 G HA3 0.095 4.056 3.960 0.002 0.000 0.527 400 G C -0.643 173.844 174.900 -0.689 0.000 1.381 400 G CA -0.386 44.440 45.100 -0.456 0.000 1.001 400 G HN 1.088 nan 8.290 nan 0.000 0.626 401 T N -0.433 113.852 114.554 -0.448 0.000 4.058 401 T HA 0.545 4.896 4.350 0.002 0.000 0.252 401 T C 0.235 174.878 174.700 -0.095 0.000 1.264 401 T CA 0.520 62.170 62.100 -0.750 0.000 1.094 401 T CB -0.896 67.706 68.868 -0.444 0.000 1.316 401 T HN 1.481 nan 8.240 nan 0.000 0.872 402 W N -0.335 120.935 121.300 -0.049 0.000 2.959 402 W HA 0.667 5.328 4.660 0.002 0.000 0.358 402 W C -1.365 175.193 176.519 0.065 0.000 1.228 402 W CA -1.010 56.384 57.345 0.081 0.000 1.183 402 W CB 0.676 30.148 29.460 0.020 0.000 1.467 402 W HN 0.169 nan 8.180 nan 0.000 0.578 403 E N 0.621 120.957 120.200 0.227 0.000 2.336 403 E HA 0.483 4.834 4.350 0.002 0.000 0.267 403 E C -1.218 175.461 176.600 0.132 0.000 0.906 403 E CA -1.219 55.109 56.400 -0.119 0.000 0.781 403 E CB 3.284 32.959 29.700 -0.041 0.000 1.261 403 E HN 0.151 nan 8.360 nan 0.000 0.436 404 V N 3.364 123.235 119.914 -0.071 0.000 2.432 404 V HA 0.026 4.147 4.120 0.002 0.000 0.271 404 V C 1.176 177.367 176.094 0.162 0.000 1.046 404 V CA -0.155 62.229 62.300 0.140 0.000 0.945 404 V CB 0.693 32.507 31.823 -0.016 0.000 0.992 404 V HN 0.681 nan 8.190 nan 0.000 0.471 405 I N 3.280 123.987 120.570 0.227 0.000 2.500 405 I HA 0.210 4.381 4.170 0.002 0.000 0.252 405 I C 1.121 177.368 176.117 0.216 0.000 1.142 405 I CA 1.167 62.599 61.300 0.220 0.000 1.451 405 I CB -0.951 37.127 38.000 0.129 0.000 1.093 405 I HN 0.783 nan 8.210 nan 0.000 0.430 406 G N 0.577 109.506 108.800 0.214 0.000 2.411 406 G HA2 0.413 4.374 3.960 0.002 0.000 0.295 406 G HA3 0.413 4.374 3.960 0.002 0.000 0.295 406 G C -1.221 173.797 174.900 0.196 0.000 1.542 406 G CA -0.727 44.493 45.100 0.201 0.000 0.814 406 G HN -0.039 nan 8.290 nan 0.000 0.557 407 I N 1.625 122.266 120.570 0.119 0.000 2.325 407 I HA 0.244 4.415 4.170 0.002 0.000 0.291 407 I C 0.764 176.869 176.117 -0.021 0.000 1.019 407 I CA -0.579 60.705 61.300 -0.028 0.000 1.302 407 I CB 1.643 39.417 38.000 -0.376 0.000 1.401 407 I HN 0.506 nan 8.210 nan 0.000 0.485 408 E N 4.980 125.209 120.200 0.049 0.000 2.307 408 E HA 0.296 4.647 4.350 0.002 0.000 0.195 408 E C 0.200 176.741 176.600 -0.099 0.000 0.975 408 E CA 0.234 56.690 56.400 0.094 0.000 0.878 408 E CB 0.707 30.567 29.700 0.268 0.000 0.845 408 E HN 0.681 nan 8.360 nan 0.000 0.488 409 A N 0.651 123.321 122.820 -0.250 0.000 2.594 409 A HA 0.561 4.882 4.320 0.002 0.000 0.296 409 A C -1.964 175.525 177.584 -0.158 0.000 1.061 409 A CA -0.677 51.133 52.037 -0.379 0.000 0.689 409 A CB 1.180 19.469 19.000 -1.184 0.000 1.280 409 A HN 0.045 nan 8.150 nan 0.000 0.406 410 L N 2.007 123.184 121.223 -0.076 0.000 2.404 410 L HA 0.798 5.139 4.340 0.002 0.000 0.272 410 L C 0.212 177.100 176.870 0.029 0.000 0.980 410 L CA 0.391 55.218 54.840 -0.022 0.000 0.836 410 L CB 1.877 43.951 42.059 0.025 0.000 1.238 410 L HN 1.091 nan 8.230 nan 0.000 0.408 411 T N -0.072 114.513 114.554 0.051 0.000 2.938 411 T HA 0.425 4.776 4.350 0.002 0.000 0.285 411 T C 1.066 175.797 174.700 0.052 0.000 1.028 411 T CA 0.009 62.153 62.100 0.074 0.000 1.005 411 T CB 1.302 70.253 68.868 0.139 0.000 1.157 411 T HN 0.626 nan 8.240 nan 0.000 0.550 412 S N -0.655 115.081 115.700 0.061 0.000 2.474 412 S HA -0.087 4.384 4.470 0.002 0.000 0.235 412 S C 1.208 175.802 174.600 -0.010 0.000 0.997 412 S CA 0.854 59.084 58.200 0.050 0.000 0.949 412 S CB -0.454 62.782 63.200 0.061 0.000 0.766 412 S HN 0.752 nan 8.310 nan 0.000 0.517 413 D N 0.134 120.522 120.400 -0.019 0.000 2.394 413 D HA 0.201 4.843 4.640 0.002 0.000 0.237 413 D C -0.199 175.885 176.300 -0.360 0.000 1.028 413 D CA 0.691 54.608 54.000 -0.139 0.000 0.937 413 D CB 0.165 40.980 40.800 0.026 0.000 1.072 413 D HN 0.386 nan 8.370 nan 0.000 0.457 414 Y N -0.237 120.001 120.300 -0.104 0.000 2.621 414 Y HA 0.466 5.017 4.550 0.002 0.000 0.334 414 Y C -0.001 175.712 175.900 -0.312 0.000 1.074 414 Y CA -1.005 56.939 58.100 -0.260 0.000 1.149 414 Y CB 1.787 39.966 38.460 -0.468 0.000 1.302 414 Y HN -0.134 nan 8.280 nan 0.000 0.501 415 L N 2.810 123.899 121.223 -0.222 0.000 2.372 415 L HA 0.447 4.788 4.340 0.002 0.000 0.273 415 L C -1.999 174.758 176.870 -0.188 0.000 0.989 415 L CA -0.697 54.008 54.840 -0.226 0.000 0.841 415 L CB 0.431 42.284 42.059 -0.344 0.000 1.225 415 L HN 0.652 nan 8.230 nan 0.000 0.414 416 Y N 5.956 126.207 120.300 -0.082 0.000 2.326 416 Y HA 0.500 5.051 4.550 0.002 0.000 0.337 416 Y C -0.034 175.895 175.900 0.048 0.000 1.023 416 Y CA -0.296 57.764 58.100 -0.067 0.000 1.143 416 Y CB 1.054 39.397 38.460 -0.194 0.000 1.183 416 Y HN 0.547 nan 8.280 nan 0.000 0.485 417 Y N 0.965 121.335 120.300 0.118 0.000 2.625 417 Y HA 0.778 5.329 4.550 0.002 0.000 0.338 417 Y C -1.704 174.293 175.900 0.161 0.000 1.123 417 Y CA -1.807 56.358 58.100 0.108 0.000 1.046 417 Y CB 1.127 39.627 38.460 0.066 0.000 1.299 417 Y HN 0.268 nan 8.280 nan 0.000 0.464 418 I N 3.110 123.844 120.570 0.274 0.000 2.460 418 I HA 0.615 4.786 4.170 0.002 0.000 0.298 418 I C -0.160 176.151 176.117 0.322 0.000 0.989 418 I CA -0.304 61.106 61.300 0.184 0.000 1.173 418 I CB 1.588 39.661 38.000 0.121 0.000 1.338 418 I HN 0.898 nan 8.210 nan 0.000 0.456 419 S N 3.616 119.467 115.700 0.251 0.000 2.596 419 S HA 0.428 4.899 4.470 0.002 0.000 0.270 419 S C -0.506 174.176 174.600 0.137 0.000 1.155 419 S CA -0.849 57.511 58.200 0.266 0.000 0.827 419 S CB 1.927 65.329 63.200 0.337 0.000 1.130 419 S HN 0.604 nan 8.310 nan 0.000 0.467 420 N N -0.182 118.608 118.700 0.151 0.000 2.453 420 N HA 0.153 4.894 4.740 0.002 0.000 0.270 420 N C 0.459 175.992 175.510 0.038 0.000 1.195 420 N CA -0.326 52.764 53.050 0.067 0.000 0.902 420 N CB 0.376 38.889 38.487 0.042 0.000 1.186 420 N HN 0.838 nan 8.380 nan 0.000 0.510 421 E N -0.070 120.031 120.200 -0.165 0.000 2.046 421 E HA -0.167 4.184 4.350 0.002 0.000 0.190 421 E C -0.323 176.153 176.600 -0.206 0.000 0.982 421 E CA 0.125 56.203 56.400 -0.535 0.000 0.800 421 E CB -0.096 28.638 29.700 -1.611 0.000 0.756 421 E HN 0.368 nan 8.360 nan 0.000 0.449 422 Y N 1.840 122.055 120.300 -0.141 0.000 2.969 422 Y HA -0.166 4.385 4.550 0.002 0.000 0.339 422 Y C 0.494 176.361 175.900 -0.056 0.000 1.272 422 Y CA 0.985 59.051 58.100 -0.057 0.000 1.577 422 Y CB 0.216 38.674 38.460 -0.004 0.000 1.234 422 Y HN 0.105 nan 8.280 nan 0.000 0.590 423 K N 3.436 123.509 120.400 -0.544 0.000 3.104 423 K HA -0.232 4.089 4.320 0.002 0.000 0.285 423 K C 0.768 177.286 176.600 -0.137 0.000 1.136 423 K CA 1.296 57.349 56.287 -0.390 0.000 0.842 423 K CB -1.605 30.648 32.500 -0.412 0.000 1.217 423 K HN 1.344 nan 8.250 nan 0.000 0.467 424 G N -0.205 108.535 108.800 -0.101 0.000 2.258 424 G HA2 -0.342 3.619 3.960 0.002 0.000 0.274 424 G HA3 -0.342 3.619 3.960 0.002 0.000 0.274 424 G C -0.001 174.873 174.900 -0.045 0.000 1.021 424 G CA 0.798 45.885 45.100 -0.021 0.000 0.798 424 G HN 0.317 nan 8.290 nan 0.000 0.507 425 M N -0.376 119.132 119.600 -0.153 0.000 2.061 425 M HA 0.258 4.739 4.480 0.002 0.000 0.346 425 M C -1.584 174.477 176.300 -0.397 0.000 1.112 425 M CA -1.953 53.081 55.300 -0.443 0.000 1.021 425 M CB 1.655 34.059 32.600 -0.327 0.000 1.530 425 M HN -0.161 nan 8.290 nan 0.000 0.437 426 P HA -0.052 nan 4.420 nan 0.000 0.225 426 P C 1.213 178.378 177.300 -0.224 0.000 1.148 426 P CA 0.917 63.850 63.100 -0.278 0.000 0.779 426 P CB 0.202 31.738 31.700 -0.273 0.000 0.780 427 G N -1.031 107.575 108.800 -0.324 0.000 3.141 427 G HA2 0.289 4.250 3.960 0.002 0.000 0.218 427 G HA3 0.289 4.250 3.960 0.002 0.000 0.218 427 G C 0.583 175.497 174.900 0.024 0.000 1.170 427 G CA 0.014 45.047 45.100 -0.111 0.000 0.769 427 G HN 0.369 nan 8.290 nan 0.000 0.546 428 G N -0.143 108.620 108.800 -0.063 0.000 2.441 428 G HA2 0.633 4.595 3.960 0.002 0.000 0.334 428 G HA3 0.633 4.595 3.960 0.002 0.000 0.334 428 G C -0.877 173.924 174.900 -0.165 0.000 1.161 428 G CA -0.747 44.341 45.100 -0.020 0.000 0.935 428 G HN 0.052 nan 8.290 nan 0.000 0.488 429 R N 1.271 121.611 120.500 -0.266 0.000 2.532 429 R HA 0.441 4.782 4.340 0.002 0.000 0.297 429 R C -1.149 175.107 176.300 -0.073 0.000 0.984 429 R CA -0.807 55.112 56.100 -0.303 0.000 0.884 429 R CB 1.958 31.821 30.300 -0.728 0.000 1.182 429 R HN 0.583 nan 8.270 nan 0.000 0.442 430 N N 1.707 120.398 118.700 -0.014 0.000 2.284 430 N HA 0.331 5.072 4.740 0.002 0.000 0.289 430 N C -1.240 174.185 175.510 -0.143 0.000 1.179 430 N CA -0.818 52.162 53.050 -0.117 0.000 0.774 430 N CB 2.699 41.043 38.487 -0.238 0.000 1.548 430 N HN 0.229 nan 8.380 nan 0.000 0.473 431 L N 2.348 123.339 121.223 -0.386 0.000 2.276 431 L HA 0.469 4.810 4.340 0.002 0.000 0.286 431 L C -1.428 175.105 176.870 -0.561 0.000 1.061 431 L CA -0.040 54.593 54.840 -0.345 0.000 0.807 431 L CB -0.165 41.684 42.059 -0.351 0.000 1.177 431 L HN 0.402 nan 8.230 nan 0.000 0.429 432 Y N 3.517 123.450 120.300 -0.612 0.000 2.536 432 Y HA 0.602 5.153 4.550 0.002 0.000 0.347 432 Y C -0.438 175.085 175.900 -0.629 0.000 1.000 432 Y CA -0.883 56.803 58.100 -0.690 0.000 1.051 432 Y CB 1.749 39.617 38.460 -0.986 0.000 1.259 432 Y HN 0.549 nan 8.280 nan 0.000 0.468 433 K N 2.599 122.846 120.400 -0.254 0.000 2.397 433 K HA 0.744 5.065 4.320 0.002 0.000 0.253 433 K C -1.794 174.797 176.600 -0.015 0.000 0.932 433 K CA -0.672 55.421 56.287 -0.323 0.000 0.795 433 K CB 2.580 34.651 32.500 -0.715 0.000 1.159 433 K HN 0.763 nan 8.250 nan 0.000 0.424 434 I N 2.037 122.679 120.570 0.120 0.000 2.474 434 I HA 0.174 4.345 4.170 0.002 0.000 0.294 434 I C -0.730 175.474 176.117 0.145 0.000 1.005 434 I CA -0.818 60.596 61.300 0.190 0.000 1.113 434 I CB 2.018 40.130 38.000 0.186 0.000 1.289 434 I HN 0.838 nan 8.210 nan 0.000 0.436 435 Q N 5.702 125.558 119.800 0.095 0.000 2.293 435 Q HA 0.122 4.463 4.340 0.002 0.000 0.263 435 Q C 0.184 176.087 176.000 -0.162 0.000 1.002 435 Q CA -0.628 54.996 55.803 -0.299 0.000 0.910 435 Q CB 1.161 29.778 28.738 -0.201 0.000 1.185 435 Q HN 0.726 nan 8.270 nan 0.000 0.401 436 L N 3.059 124.127 121.223 -0.258 0.000 2.265 436 L HA -0.122 4.219 4.340 0.002 0.000 0.215 436 L C 1.868 178.668 176.870 -0.115 0.000 1.117 436 L CA 1.322 56.113 54.840 -0.082 0.000 0.782 436 L CB -0.942 41.036 42.059 -0.135 0.000 0.914 436 L HN 0.590 nan 8.230 nan 0.000 0.441 437 S N -1.470 114.111 115.700 -0.198 0.000 2.446 437 S HA -0.032 4.439 4.470 0.002 0.000 0.225 437 S C 0.600 175.051 174.600 -0.248 0.000 1.016 437 S CA 0.452 58.529 58.200 -0.206 0.000 0.943 437 S CB 0.154 63.254 63.200 -0.167 0.000 0.786 437 S HN 0.366 nan 8.310 nan 0.000 0.508 438 D N -0.348 119.933 120.400 -0.198 0.000 2.323 438 D HA 0.237 4.878 4.640 0.002 0.000 0.242 438 D C -0.184 176.109 176.300 -0.011 0.000 1.347 438 D CA -0.517 53.385 54.000 -0.163 0.000 0.988 438 D CB 0.119 40.867 40.800 -0.085 0.000 1.314 438 D HN -0.088 nan 8.370 nan 0.000 0.564 439 Y N 1.213 121.484 120.300 -0.047 0.000 2.384 439 Y HA -0.115 4.436 4.550 0.002 0.000 0.289 439 Y C 2.462 178.364 175.900 0.004 0.000 1.152 439 Y CA 0.886 58.970 58.100 -0.026 0.000 1.258 439 Y CB -0.997 37.448 38.460 -0.025 0.000 0.979 439 Y HN 0.337 nan 8.280 nan 0.000 0.549 440 T N 0.028 114.663 114.554 0.135 0.000 3.051 440 T HA -0.079 4.272 4.350 0.002 0.000 0.269 440 T C 0.754 175.505 174.700 0.084 0.000 1.127 440 T CA 0.684 62.837 62.100 0.088 0.000 1.107 440 T CB -0.303 68.589 68.868 0.040 0.000 0.898 440 T HN 0.223 nan 8.240 nan 0.000 0.517 441 K N 1.918 122.375 120.400 0.095 0.000 2.457 441 K HA 0.355 4.676 4.320 0.002 0.000 0.226 441 K C -0.754 175.927 176.600 0.134 0.000 1.114 441 K CA -0.273 56.073 56.287 0.098 0.000 1.089 441 K CB 1.252 33.804 32.500 0.087 0.000 1.739 441 K HN 0.093 nan 8.250 nan 0.000 0.473 442 V N 0.678 120.672 119.914 0.134 0.000 2.394 442 V HA 0.411 4.532 4.120 0.002 0.000 0.282 442 V C -0.597 175.571 176.094 0.124 0.000 1.031 442 V CA 0.104 62.501 62.300 0.162 0.000 0.881 442 V CB 1.554 33.504 31.823 0.211 0.000 0.982 442 V HN 0.406 nan 8.190 nan 0.000 0.451 443 T N 6.090 120.685 114.554 0.069 0.000 2.855 443 T HA 0.354 4.705 4.350 0.002 0.000 0.281 443 T C -0.549 174.069 174.700 -0.137 0.000 1.007 443 T CA -0.292 61.792 62.100 -0.026 0.000 1.009 443 T CB 1.215 70.026 68.868 -0.094 0.000 0.983 443 T HN 0.952 nan 8.240 nan 0.000 0.455 444 C N 4.624 123.758 119.300 -0.277 0.000 2.285 444 C HA 0.480 4.941 4.460 0.002 0.000 0.335 444 C C 1.470 176.131 174.990 -0.549 0.000 1.267 444 C CA -0.607 57.969 59.018 -0.738 0.000 1.762 444 C CB -1.798 25.413 27.740 -0.881 0.000 2.365 444 C HN 0.979 nan 8.230 nan 0.000 0.527 445 L N 4.652 125.530 121.223 -0.575 0.000 2.567 445 L HA 0.109 4.450 4.340 0.002 0.000 0.225 445 L C 2.037 178.596 176.870 -0.517 0.000 1.119 445 L CA 0.690 55.276 54.840 -0.424 0.000 0.871 445 L CB -0.132 41.727 42.059 -0.333 0.000 1.036 445 L HN 0.879 nan 8.230 nan 0.000 0.459 446 S N -3.323 111.955 115.700 -0.703 0.000 2.619 446 S HA -0.022 4.449 4.470 0.002 0.000 0.238 446 S C 1.866 176.051 174.600 -0.691 0.000 1.068 446 S CA 0.007 57.669 58.200 -0.897 0.000 0.926 446 S CB -0.318 62.012 63.200 -1.450 0.000 0.864 446 S HN 0.290 nan 8.310 nan 0.000 0.493 447 C N 2.238 121.117 119.300 -0.702 0.000 2.349 447 C HA -0.089 4.373 4.460 0.002 0.000 0.274 447 C C 2.518 177.204 174.990 -0.507 0.000 1.178 447 C CA 1.785 60.325 59.018 -0.796 0.000 1.769 447 C CB -1.146 25.982 27.740 -1.020 0.000 2.047 447 C HN 0.639 nan 8.230 nan 0.000 0.448 448 E N -0.149 119.848 120.200 -0.338 0.000 2.474 448 E HA 0.183 4.534 4.350 0.002 0.000 0.195 448 E C 1.868 178.407 176.600 -0.103 0.000 1.039 448 E CA -0.092 56.208 56.400 -0.166 0.000 0.881 448 E CB -0.225 29.405 29.700 -0.116 0.000 0.970 448 E HN 0.554 nan 8.360 nan 0.000 0.486 449 L N 0.281 121.433 121.223 -0.117 0.000 2.081 449 L HA -0.128 4.213 4.340 0.002 0.000 0.212 449 L C 0.872 177.742 176.870 -0.000 0.000 1.080 449 L CA 1.003 55.816 54.840 -0.044 0.000 0.754 449 L CB -0.026 42.019 42.059 -0.023 0.000 0.893 449 L HN 0.149 nan 8.230 nan 0.000 0.433 450 N N -1.765 116.946 118.700 0.019 0.000 3.211 450 N HA 0.047 4.788 4.740 0.002 0.000 0.183 450 N C -2.072 173.453 175.510 0.024 0.000 1.447 450 N CA -0.659 52.400 53.050 0.016 0.000 0.840 450 N CB 0.590 39.083 38.487 0.010 0.000 1.611 450 N HN -0.191 nan 8.380 nan 0.000 0.610 451 P HA -0.178 nan 4.420 nan 0.000 0.217 451 P C 0.712 178.048 177.300 0.059 0.000 1.148 451 P CA 1.332 64.469 63.100 0.061 0.000 0.834 451 P CB 0.621 32.375 31.700 0.091 0.000 0.783 452 E N -0.225 119.994 120.200 0.031 0.000 2.076 452 E HA -0.113 4.238 4.350 0.002 0.000 0.190 452 E C 2.307 178.905 176.600 -0.003 0.000 0.979 452 E CA 0.802 57.213 56.400 0.019 0.000 0.807 452 E CB -0.439 29.265 29.700 0.007 0.000 0.761 452 E HN 0.347 nan 8.360 nan 0.000 0.454 453 R N -0.078 120.407 120.500 -0.026 0.000 2.112 453 R HA 0.068 4.409 4.340 0.002 0.000 0.216 453 R C 0.123 176.366 176.300 -0.094 0.000 1.080 453 R CA 0.570 56.631 56.100 -0.065 0.000 0.996 453 R CB 0.374 30.624 30.300 -0.083 0.000 0.902 453 R HN 0.029 nan 8.270 nan 0.000 0.449 454 c N 1.081 119.631 118.600 -0.083 0.000 2.301 454 c HA 0.428 5.000 4.570 0.002 0.000 0.323 454 c C 0.063 174.109 174.090 -0.072 0.000 1.265 454 c CA -0.632 55.588 56.329 -0.182 0.000 1.503 454 c CB 1.352 43.696 42.510 -0.277 0.000 2.195 454 c HN 0.549 nan 8.230 nan 0.000 0.477 455 Q N 0.444 120.193 119.800 -0.084 0.000 2.081 455 Q HA 0.186 4.527 4.340 0.002 0.000 0.220 455 Q C -1.024 175.024 176.000 0.080 0.000 0.775 455 Q CA 0.081 55.917 55.803 0.054 0.000 0.983 455 Q CB 1.242 30.035 28.738 0.091 0.000 1.188 455 Q HN 0.809 nan 8.270 nan 0.000 0.458 456 Y N 0.443 120.629 120.300 -0.190 0.000 2.373 456 Y HA 0.380 4.931 4.550 0.002 0.000 0.327 456 Y C -1.649 174.110 175.900 -0.234 0.000 1.036 456 Y CA -0.972 57.051 58.100 -0.128 0.000 1.265 456 Y CB 0.767 39.160 38.460 -0.111 0.000 1.108 456 Y HN -0.079 nan 8.280 nan 0.000 0.471 457 Y N 2.292 122.506 120.300 -0.143 0.000 2.468 457 Y HA 0.652 5.203 4.550 0.002 0.000 0.342 457 Y C 0.153 175.998 175.900 -0.091 0.000 1.021 457 Y CA -0.677 57.364 58.100 -0.097 0.000 1.079 457 Y CB 2.247 40.624 38.460 -0.140 0.000 1.226 457 Y HN 0.503 nan 8.280 nan 0.000 0.460 458 S N 1.034 116.831 115.700 0.161 0.000 2.568 458 S HA 0.853 5.324 4.470 0.002 0.000 0.293 458 S C -1.603 173.076 174.600 0.131 0.000 1.089 458 S CA -0.761 57.518 58.200 0.133 0.000 0.945 458 S CB 1.855 65.148 63.200 0.157 0.000 1.077 458 S HN 0.579 nan 8.310 nan 0.000 0.485 459 V N 0.850 120.836 119.914 0.121 0.000 2.962 459 V HA 0.874 4.995 4.120 0.002 0.000 0.313 459 V C -1.016 175.157 176.094 0.131 0.000 1.099 459 V CA -0.321 62.018 62.300 0.065 0.000 0.971 459 V CB 2.371 34.156 31.823 -0.064 0.000 1.028 459 V HN 1.167 nan 8.190 nan 0.000 0.430 460 S N 5.038 120.794 115.700 0.094 0.000 2.746 460 S HA 0.627 5.098 4.470 0.002 0.000 0.273 460 S C -1.091 173.652 174.600 0.239 0.000 1.172 460 S CA -0.439 57.920 58.200 0.266 0.000 1.116 460 S CB 0.184 63.597 63.200 0.354 0.000 1.057 460 S HN 0.468 nan 8.310 nan 0.000 0.483 461 F N 2.668 122.662 119.950 0.073 0.000 2.370 461 F HA 0.499 5.027 4.527 0.002 0.000 0.319 461 F C 1.521 176.881 175.800 -0.733 0.000 1.129 461 F CA -0.378 57.497 58.000 -0.208 0.000 1.109 461 F CB 0.927 39.776 39.000 -0.253 0.000 1.262 461 F HN 0.600 nan 8.300 nan 0.000 0.534 462 S N 0.808 115.946 115.700 -0.938 0.000 2.641 462 S HA 0.228 4.699 4.470 0.002 0.000 0.261 462 S C 1.105 175.452 174.600 -0.421 0.000 1.257 462 S CA -0.813 56.605 58.200 -1.303 0.000 0.983 462 S CB 0.723 63.226 63.200 -1.163 0.000 0.990 462 S HN 0.473 nan 8.310 nan 0.000 0.572 463 K N 0.907 121.181 120.400 -0.209 0.000 2.044 463 K HA -0.079 4.242 4.320 0.002 0.000 0.210 463 K C 1.289 177.848 176.600 -0.068 0.000 1.049 463 K CA 1.527 57.783 56.287 -0.051 0.000 0.927 463 K CB -0.542 31.977 32.500 0.032 0.000 0.713 463 K HN 0.638 nan 8.250 nan 0.000 0.443 464 E N -0.743 119.386 120.200 -0.118 0.000 2.465 464 E HA 0.213 4.564 4.350 0.002 0.000 0.195 464 E C 0.134 176.650 176.600 -0.140 0.000 1.028 464 E CA 0.251 56.592 56.400 -0.098 0.000 0.899 464 E CB 0.422 30.073 29.700 -0.083 0.000 1.032 464 E HN 0.254 nan 8.360 nan 0.000 0.468 465 A N 1.197 123.910 122.820 -0.179 0.000 2.925 465 A HA -0.315 4.006 4.320 0.002 0.000 0.265 465 A C 1.453 178.956 177.584 -0.135 0.000 1.419 465 A CA 1.594 53.542 52.037 -0.147 0.000 0.807 465 A CB -2.188 16.608 19.000 -0.340 0.000 1.043 465 A HN 0.253 nan 8.150 nan 0.000 0.600 466 K N -1.452 118.785 120.400 -0.272 0.000 2.103 466 K HA 0.154 4.475 4.320 0.002 0.000 0.204 466 K C 0.285 176.555 176.600 -0.551 0.000 1.052 466 K CA 1.600 57.611 56.287 -0.461 0.000 0.945 466 K CB -0.024 32.053 32.500 -0.705 0.000 0.722 466 K HN 0.662 nan 8.250 nan 0.000 0.443 467 Y N -1.056 119.156 120.300 -0.148 0.000 2.570 467 Y HA 0.363 4.914 4.550 0.002 0.000 0.345 467 Y C -0.977 174.863 175.900 -0.099 0.000 1.014 467 Y CA -1.352 56.687 58.100 -0.102 0.000 1.063 467 Y CB 1.686 40.110 38.460 -0.060 0.000 1.272 467 Y HN -0.001 nan 8.280 nan 0.000 0.477 468 Y N -1.092 119.211 120.300 0.005 0.000 2.544 468 Y HA 0.538 5.089 4.550 0.002 0.000 0.342 468 Y C -1.304 174.607 175.900 0.019 0.000 1.062 468 Y CA -1.465 56.481 58.100 -0.257 0.000 1.023 468 Y CB 1.566 39.387 38.460 -1.065 0.000 1.308 468 Y HN 0.588 nan 8.280 nan 0.000 0.457 469 Q N 4.024 123.936 119.800 0.186 0.000 2.307 469 Q HA 0.547 4.888 4.340 0.002 0.000 0.262 469 Q C -1.844 174.229 176.000 0.122 0.000 0.961 469 Q CA -0.687 55.198 55.803 0.138 0.000 0.882 469 Q CB 1.439 30.250 28.738 0.121 0.000 1.264 469 Q HN 0.984 nan 8.270 nan 0.000 0.446 470 L N 4.237 125.534 121.223 0.123 0.000 2.307 470 L HA 0.528 4.869 4.340 0.002 0.000 0.282 470 L C -0.165 176.786 176.870 0.135 0.000 1.051 470 L CA -0.548 54.367 54.840 0.126 0.000 0.804 470 L CB 1.273 43.375 42.059 0.072 0.000 1.197 470 L HN 0.597 nan 8.230 nan 0.000 0.431 471 R N 2.419 122.991 120.500 0.119 0.000 2.388 471 R HA 0.322 4.663 4.340 0.002 0.000 0.314 471 R C -0.998 175.183 176.300 -0.199 0.000 0.959 471 R CA -0.515 55.521 56.100 -0.105 0.000 0.851 471 R CB 1.631 31.963 30.300 0.052 0.000 1.168 471 R HN 0.588 nan 8.270 nan 0.000 0.472 472 c N 2.767 121.096 118.600 -0.452 0.000 2.330 472 c HA 0.415 4.986 4.570 0.002 0.000 0.344 472 c C 1.389 175.225 174.090 -0.424 0.000 1.273 472 c CA -0.257 55.688 56.329 -0.640 0.000 1.879 472 c CB 0.286 42.383 42.510 -0.687 0.000 2.376 472 c HN 0.975 nan 8.230 nan 0.000 0.534 473 S N 3.617 119.167 115.700 -0.250 0.000 2.749 473 S HA 0.623 5.094 4.470 0.002 0.000 0.246 473 S C 0.287 174.840 174.600 -0.078 0.000 1.023 473 S CA 0.245 58.368 58.200 -0.128 0.000 1.012 473 S CB -0.034 63.142 63.200 -0.040 0.000 0.942 473 S HN 2.005 nan 8.310 nan 0.000 0.531 474 G N 1.886 110.618 108.800 -0.114 0.000 2.321 474 G HA2 0.367 4.328 3.960 0.002 0.000 0.298 474 G HA3 0.367 4.328 3.960 0.002 0.000 0.298 474 G C -3.016 171.848 174.900 -0.060 0.000 1.385 474 G CA -0.452 44.623 45.100 -0.042 0.000 0.856 474 G HN -0.125 nan 8.290 nan 0.000 0.584 475 P HA 0.122 nan 4.420 nan 0.000 0.229 475 P C 1.253 178.571 177.300 0.030 0.000 1.160 475 P CA 1.361 64.480 63.100 0.031 0.000 0.777 475 P CB 0.387 32.105 31.700 0.030 0.000 0.814 476 G N 0.388 109.138 108.800 -0.084 0.000 2.525 476 G HA2 0.410 4.371 3.960 0.002 0.000 0.287 476 G HA3 0.410 4.371 3.960 0.002 0.000 0.287 476 G C -0.338 174.311 174.900 -0.419 0.000 1.350 476 G CA -0.787 44.191 45.100 -0.204 0.000 1.039 476 G HN 0.039 nan 8.290 nan 0.000 0.513 477 L N 1.297 122.180 121.223 -0.566 0.000 2.499 477 L HA 0.123 4.464 4.340 0.002 0.000 0.273 477 L C -1.832 174.824 176.870 -0.357 0.000 1.195 477 L CA -1.160 53.282 54.840 -0.663 0.000 0.882 477 L CB 0.540 42.307 42.059 -0.487 0.000 1.133 477 L HN 0.243 nan 8.230 nan 0.000 0.483 478 P HA -0.087 nan 4.420 nan 0.000 0.261 478 P C -0.865 176.282 177.300 -0.254 0.000 1.158 478 P CA 0.289 63.251 63.100 -0.229 0.000 0.758 478 P CB 0.362 32.027 31.700 -0.058 0.000 0.763 479 L N 6.021 126.999 121.223 -0.408 0.000 2.376 479 L HA 0.461 4.802 4.340 0.002 0.000 0.275 479 L C -1.601 175.007 176.870 -0.437 0.000 0.987 479 L CA -0.704 53.959 54.840 -0.296 0.000 0.828 479 L CB 0.861 42.803 42.059 -0.196 0.000 1.249 479 L HN 0.224 nan 8.230 nan 0.000 0.409 480 Y N 2.982 123.231 120.300 -0.086 0.000 2.331 480 Y HA 0.725 5.276 4.550 0.002 0.000 0.338 480 Y C 0.623 176.410 175.900 -0.189 0.000 0.976 480 Y CA -0.480 57.553 58.100 -0.112 0.000 1.137 480 Y CB 1.907 40.285 38.460 -0.138 0.000 1.172 480 Y HN 0.679 nan 8.280 nan 0.000 0.478 481 T N 1.180 115.731 114.554 -0.005 0.000 2.901 481 T HA 0.723 5.074 4.350 0.002 0.000 0.293 481 T C -1.319 173.317 174.700 -0.106 0.000 1.084 481 T CA -0.976 61.068 62.100 -0.093 0.000 1.008 481 T CB 1.781 70.651 68.868 0.003 0.000 1.170 481 T HN 0.531 nan 8.240 nan 0.000 0.509 482 L N 1.457 122.491 121.223 -0.315 0.000 2.365 482 L HA 0.646 4.987 4.340 0.002 0.000 0.273 482 L C -1.062 175.464 176.870 -0.574 0.000 1.000 482 L CA -0.741 53.938 54.840 -0.268 0.000 0.819 482 L CB 1.899 43.814 42.059 -0.240 0.000 1.284 482 L HN 0.912 nan 8.230 nan 0.000 0.418 483 H N 0.147 118.948 119.070 -0.450 0.000 2.906 483 H HA 0.569 5.126 4.556 0.002 0.000 0.337 483 H C -0.679 174.456 175.328 -0.322 0.000 1.257 483 H CA -0.737 54.976 56.048 -0.559 0.000 1.192 483 H CB 1.934 31.025 29.762 -1.119 0.000 1.912 483 H HN 0.436 nan 8.280 nan 0.000 0.573 484 S N -0.636 115.047 115.700 -0.028 0.000 2.561 484 S HA 0.311 4.782 4.470 0.002 0.000 0.303 484 S C 0.188 174.863 174.600 0.126 0.000 1.110 484 S CA -0.752 57.521 58.200 0.122 0.000 1.034 484 S CB 1.769 65.067 63.200 0.162 0.000 1.010 484 S HN 0.521 nan 8.310 nan 0.000 0.482 485 S N 1.894 117.683 115.700 0.148 0.000 2.399 485 S HA -0.124 4.347 4.470 0.002 0.000 0.231 485 S C 1.942 176.605 174.600 0.106 0.000 1.022 485 S CA 1.129 59.456 58.200 0.212 0.000 0.983 485 S CB -0.426 62.849 63.200 0.126 0.000 0.803 485 S HN 0.719 nan 8.310 nan 0.000 0.480 486 V N 2.384 122.316 119.914 0.030 0.000 2.282 486 V HA -0.233 3.888 4.120 0.002 0.000 0.249 486 V C 1.200 177.310 176.094 0.027 0.000 1.057 486 V CA 2.168 64.483 62.300 0.025 0.000 1.032 486 V CB -0.412 31.413 31.823 0.003 0.000 0.645 486 V HN 0.562 nan 8.190 nan 0.000 0.447 487 N N -1.690 117.030 118.700 0.032 0.000 2.171 487 N HA 0.102 4.843 4.740 0.002 0.000 0.212 487 N C -0.575 174.956 175.510 0.034 0.000 1.184 487 N CA 0.472 53.537 53.050 0.024 0.000 0.888 487 N CB 0.581 39.081 38.487 0.022 0.000 1.038 487 N HN 0.392 nan 8.380 nan 0.000 0.517 488 D N 1.611 122.059 120.400 0.081 0.000 2.716 488 D HA -0.134 4.507 4.640 0.002 0.000 0.239 488 D C -0.607 175.747 176.300 0.091 0.000 1.125 488 D CA 1.120 55.200 54.000 0.133 0.000 0.681 488 D CB -1.008 39.843 40.800 0.085 0.000 1.070 488 D HN 0.373 nan 8.370 nan 0.000 0.432 489 K N 0.251 120.685 120.400 0.057 0.000 2.234 489 K HA 0.471 4.792 4.320 0.002 0.000 0.282 489 K C 1.034 177.611 176.600 -0.037 0.000 1.039 489 K CA -0.338 55.959 56.287 0.016 0.000 0.928 489 K CB 1.303 33.803 32.500 -0.001 0.000 1.039 489 K HN 0.123 nan 8.250 nan 0.000 0.470 490 G N 3.197 111.951 108.800 -0.077 0.000 2.360 490 G HA2 0.126 4.087 3.960 0.002 0.000 0.279 490 G HA3 0.126 4.087 3.960 0.002 0.000 0.279 490 G C 0.746 175.462 174.900 -0.307 0.000 1.189 490 G CA -0.345 44.554 45.100 -0.335 0.000 0.941 490 G HN 0.579 nan 8.290 nan 0.000 0.445 491 L N 2.032 123.013 121.223 -0.402 0.000 2.084 491 L HA 0.290 4.631 4.340 0.002 0.000 0.202 491 L C 1.587 178.317 176.870 -0.234 0.000 1.074 491 L CA 0.859 55.548 54.840 -0.251 0.000 0.757 491 L CB -0.279 41.641 42.059 -0.231 0.000 0.918 491 L HN 0.739 nan 8.230 nan 0.000 0.444 492 R N -2.102 118.216 120.500 -0.303 0.000 2.765 492 R HA 0.395 4.736 4.340 0.002 0.000 0.277 492 R C -1.606 174.533 176.300 -0.268 0.000 1.028 492 R CA -0.929 55.027 56.100 -0.239 0.000 0.860 492 R CB 1.250 31.437 30.300 -0.189 0.000 1.270 492 R HN -0.287 nan 8.270 nan 0.000 0.484 493 V N 2.835 122.621 119.914 -0.213 0.000 2.432 493 V HA 0.156 4.277 4.120 0.002 0.000 0.271 493 V C 1.310 177.232 176.094 -0.286 0.000 1.046 493 V CA -0.307 61.870 62.300 -0.205 0.000 0.945 493 V CB 1.040 32.781 31.823 -0.137 0.000 0.992 493 V HN 0.630 nan 8.190 nan 0.000 0.471 494 L N 2.738 123.716 121.223 -0.409 0.000 2.249 494 L HA 0.277 4.618 4.340 0.002 0.000 0.207 494 L C 0.714 177.257 176.870 -0.546 0.000 1.090 494 L CA 0.696 55.070 54.840 -0.776 0.000 0.802 494 L CB 0.222 41.429 42.059 -1.419 0.000 0.947 494 L HN 0.718 nan 8.230 nan 0.000 0.453 495 E N -0.128 119.933 120.200 -0.233 0.000 2.506 495 E HA 0.059 4.410 4.350 0.002 0.000 0.308 495 E C -1.170 175.470 176.600 0.067 0.000 0.931 495 E CA -0.283 56.101 56.400 -0.026 0.000 0.800 495 E CB 0.929 30.663 29.700 0.057 0.000 1.292 495 E HN 0.137 nan 8.360 nan 0.000 0.401 496 D N 3.373 123.785 120.400 0.019 0.000 2.431 496 D HA 0.120 4.761 4.640 0.002 0.000 0.213 496 D C -0.316 175.981 176.300 -0.005 0.000 1.130 496 D CA -0.254 53.742 54.000 -0.005 0.000 0.834 496 D CB -0.065 40.712 40.800 -0.038 0.000 0.985 496 D HN 0.466 nan 8.370 nan 0.000 0.504 497 N N 0.723 119.443 118.700 0.034 0.000 2.721 497 N HA -0.203 4.538 4.740 0.002 0.000 0.249 497 N C 0.914 176.423 175.510 -0.003 0.000 1.072 497 N CA 0.916 53.982 53.050 0.025 0.000 0.710 497 N CB -1.331 37.160 38.487 0.007 0.000 0.993 497 N HN 0.481 nan 8.380 nan 0.000 0.547 498 S N -1.181 114.518 115.700 -0.001 0.000 2.399 498 S HA -0.029 4.442 4.470 0.002 0.000 0.231 498 S C 2.101 176.708 174.600 0.011 0.000 1.022 498 S CA 0.874 59.070 58.200 -0.006 0.000 0.983 498 S CB -0.080 63.117 63.200 -0.005 0.000 0.803 498 S HN 0.529 nan 8.310 nan 0.000 0.480 499 A N 2.242 125.080 122.820 0.029 0.000 1.858 499 A HA 0.029 4.350 4.320 0.002 0.000 0.216 499 A C 2.228 179.850 177.584 0.063 0.000 1.190 499 A CA 1.649 53.714 52.037 0.047 0.000 0.617 499 A CB -0.991 18.043 19.000 0.055 0.000 0.827 499 A HN 0.500 nan 8.150 nan 0.000 0.443 500 L N 0.372 121.635 121.223 0.067 0.000 2.083 500 L HA -0.176 4.165 4.340 0.002 0.000 0.209 500 L C 1.928 178.826 176.870 0.046 0.000 1.083 500 L CA 2.797 57.691 54.840 0.091 0.000 0.752 500 L CB -0.752 41.359 42.059 0.087 0.000 0.899 500 L HN 0.522 nan 8.230 nan 0.000 0.433 501 D N -0.873 119.526 120.400 -0.001 0.000 2.133 501 D HA -0.229 4.412 4.640 0.002 0.000 0.195 501 D C 1.993 178.292 176.300 -0.002 0.000 0.997 501 D CA 1.343 55.325 54.000 -0.029 0.000 0.840 501 D CB 0.115 40.888 40.800 -0.044 0.000 0.947 501 D HN 0.163 nan 8.370 nan 0.000 0.452 502 K N -0.191 120.222 120.400 0.021 0.000 2.057 502 K HA -0.082 4.239 4.320 0.002 0.000 0.207 502 K C 2.284 178.918 176.600 0.057 0.000 1.049 502 K CA 0.901 57.208 56.287 0.034 0.000 0.931 502 K CB -0.495 32.028 32.500 0.039 0.000 0.714 502 K HN 0.396 nan 8.250 nan 0.000 0.440 503 M N 0.450 120.106 119.600 0.094 0.000 2.132 503 M HA -0.080 4.401 4.480 0.002 0.000 0.263 503 M C 2.118 178.472 176.300 0.089 0.000 1.065 503 M CA 1.327 56.725 55.300 0.163 0.000 1.122 503 M CB -0.304 32.480 32.600 0.307 0.000 1.365 503 M HN -0.009 nan 8.290 nan 0.000 0.411 504 L N 0.424 121.642 121.223 -0.009 0.000 2.376 504 L HA -0.172 4.169 4.340 0.002 0.000 0.219 504 L C 2.540 179.374 176.870 -0.061 0.000 1.133 504 L CA 0.751 55.519 54.840 -0.120 0.000 0.816 504 L CB -0.698 41.289 42.059 -0.120 0.000 0.933 504 L HN 0.481 nan 8.230 nan 0.000 0.449 505 Q N -0.816 118.975 119.800 -0.015 0.000 2.488 505 Q HA -0.079 4.262 4.340 0.002 0.000 0.211 505 Q C 0.610 176.618 176.000 0.013 0.000 0.967 505 Q CA 0.746 56.547 55.803 -0.004 0.000 0.926 505 Q CB -0.152 28.588 28.738 0.004 0.000 0.992 505 Q HN 0.480 nan 8.270 nan 0.000 0.506 506 N N 0.974 119.690 118.700 0.027 0.000 2.238 506 N HA 0.133 4.874 4.740 0.002 0.000 0.222 506 N C -0.802 174.740 175.510 0.053 0.000 1.133 506 N CA 0.124 53.205 53.050 0.051 0.000 0.854 506 N CB 1.865 40.398 38.487 0.077 0.000 1.041 506 N HN 0.143 nan 8.380 nan 0.000 0.510 507 V N 0.292 120.213 119.914 0.013 0.000 2.760 507 V HA 0.273 4.394 4.120 0.002 0.000 0.309 507 V C -1.046 175.040 176.094 -0.014 0.000 1.077 507 V CA -0.779 61.527 62.300 0.010 0.000 0.910 507 V CB 2.406 34.201 31.823 -0.048 0.000 1.008 507 V HN -0.006 nan 8.190 nan 0.000 0.424 508 Q N 6.439 126.240 119.800 0.001 0.000 2.431 508 Q HA 0.335 4.676 4.340 0.002 0.000 0.234 508 Q C -0.419 175.542 176.000 -0.064 0.000 1.203 508 Q CA -0.113 55.657 55.803 -0.056 0.000 0.902 508 Q CB 0.612 29.315 28.738 -0.059 0.000 1.455 508 Q HN 0.624 nan 8.270 nan 0.000 0.515 509 M N 3.705 123.252 119.600 -0.088 0.000 2.342 509 M HA 0.425 4.906 4.480 0.002 0.000 0.332 509 M C -2.037 174.192 176.300 -0.117 0.000 1.166 509 M CA -2.596 52.645 55.300 -0.099 0.000 1.086 509 M CB 0.211 32.752 32.600 -0.099 0.000 1.541 509 M HN 0.306 nan 8.290 nan 0.000 0.462 510 P HA 0.265 nan 4.420 nan 0.000 0.278 510 P C -0.846 176.374 177.300 -0.134 0.000 1.258 510 P CA -0.339 62.675 63.100 -0.144 0.000 0.811 510 P CB 0.775 32.380 31.700 -0.160 0.000 1.063 511 S N -0.094 115.515 115.700 -0.151 0.000 2.718 511 S HA 0.610 5.081 4.470 0.002 0.000 0.300 511 S C -0.493 174.016 174.600 -0.152 0.000 1.117 511 S CA -0.763 57.360 58.200 -0.128 0.000 1.002 511 S CB 1.667 64.792 63.200 -0.124 0.000 1.092 511 S HN 0.508 nan 8.310 nan 0.000 0.542 512 K N 0.481 120.815 120.400 -0.110 0.000 2.426 512 K HA 0.403 4.724 4.320 0.002 0.000 0.254 512 K C -1.326 175.226 176.600 -0.080 0.000 0.936 512 K CA -0.509 55.718 56.287 -0.099 0.000 0.801 512 K CB 1.371 33.834 32.500 -0.061 0.000 1.139 512 K HN 0.713 nan 8.250 nan 0.000 0.424 513 K N 5.480 125.826 120.400 -0.090 0.000 2.235 513 K HA 0.334 4.655 4.320 0.002 0.000 0.266 513 K C -1.364 175.222 176.600 -0.024 0.000 0.980 513 K CA -0.683 55.571 56.287 -0.056 0.000 0.849 513 K CB 0.978 33.433 32.500 -0.075 0.000 1.098 513 K HN 0.560 nan 8.250 nan 0.000 0.445 514 L N 4.773 125.992 121.223 -0.006 0.000 2.345 514 L HA 0.389 4.730 4.340 0.002 0.000 0.274 514 L C -1.325 175.577 176.870 0.054 0.000 0.999 514 L CA -0.220 54.640 54.840 0.034 0.000 0.849 514 L CB 1.130 43.260 42.059 0.119 0.000 1.220 514 L HN 0.852 nan 8.230 nan 0.000 0.422 515 D N 3.227 123.469 120.400 -0.264 0.000 2.958 515 D HA 0.572 5.213 4.640 0.002 0.000 0.306 515 D C -1.425 174.564 176.300 -0.518 0.000 1.226 515 D CA 0.024 53.837 54.000 -0.313 0.000 1.032 515 D CB 1.984 42.590 40.800 -0.323 0.000 1.400 515 D HN 0.215 nan 8.370 nan 0.000 0.587 516 F N -0.309 119.318 119.950 -0.539 0.000 2.645 516 F HA 0.665 5.193 4.527 0.002 0.000 0.310 516 F C -0.972 174.865 175.800 0.062 0.000 1.102 516 F CA -1.100 56.661 58.000 -0.399 0.000 0.952 516 F CB 0.794 39.063 39.000 -1.220 0.000 1.326 516 F HN 0.335 nan 8.300 nan 0.000 0.456 517 I N 0.319 121.124 120.570 0.392 0.000 3.067 517 I HA 0.703 4.874 4.170 0.002 0.000 0.312 517 I C -1.324 175.019 176.117 0.376 0.000 1.073 517 I CA -1.259 60.205 61.300 0.274 0.000 1.016 517 I CB 2.410 40.553 38.000 0.238 0.000 1.227 517 I HN 0.555 nan 8.210 nan 0.000 0.456 518 I N 3.799 124.525 120.570 0.261 0.000 2.378 518 I HA 0.425 4.596 4.170 0.002 0.000 0.291 518 I C -0.824 175.441 176.117 0.247 0.000 0.992 518 I CA -0.516 60.943 61.300 0.264 0.000 1.154 518 I CB 1.779 39.889 38.000 0.183 0.000 1.315 518 I HN 0.483 nan 8.210 nan 0.000 0.448 519 L N 7.238 128.670 121.223 0.348 0.000 2.345 519 L HA 0.331 4.672 4.340 0.002 0.000 0.274 519 L C -0.259 176.752 176.870 0.236 0.000 0.999 519 L CA -0.792 54.218 54.840 0.282 0.000 0.849 519 L CB 1.217 43.468 42.059 0.320 0.000 1.220 519 L HN 0.733 nan 8.230 nan 0.000 0.422 520 N N 4.138 122.915 118.700 0.128 0.000 2.664 520 N HA -0.276 4.465 4.740 0.002 0.000 0.296 520 N C 0.221 175.782 175.510 0.086 0.000 1.153 520 N CA 0.931 54.033 53.050 0.087 0.000 0.765 520 N CB -0.472 38.052 38.487 0.060 0.000 0.962 520 N HN 0.848 nan 8.380 nan 0.000 0.564 521 E N -3.452 116.789 120.200 0.069 0.000 4.795 521 E HA -0.210 4.141 4.350 0.002 0.000 0.162 521 E C -0.104 176.507 176.600 0.019 0.000 1.142 521 E CA 2.293 58.718 56.400 0.041 0.000 2.419 521 E CB -1.764 27.951 29.700 0.026 0.000 1.740 521 E HN 0.796 nan 8.360 nan 0.000 0.493 522 T N 3.563 118.130 114.554 0.020 0.000 2.889 522 T HA 0.387 4.739 4.350 0.002 0.000 0.291 522 T C 0.469 175.053 174.700 -0.193 0.000 0.995 522 T CA -0.281 61.738 62.100 -0.136 0.000 1.092 522 T CB 1.379 70.098 68.868 -0.248 0.000 0.954 522 T HN 0.168 nan 8.240 nan 0.000 0.506 523 K N 2.084 122.282 120.400 -0.335 0.000 2.185 523 K HA 0.549 4.870 4.320 0.002 0.000 0.269 523 K C -1.459 174.881 176.600 -0.434 0.000 0.987 523 K CA -0.636 55.514 56.287 -0.229 0.000 0.865 523 K CB 0.924 33.204 32.500 -0.368 0.000 1.090 523 K HN 0.379 nan 8.250 nan 0.000 0.450 524 F N 1.737 121.779 119.950 0.152 0.000 2.507 524 F HA 0.364 4.892 4.527 0.002 0.000 0.325 524 F C -0.603 175.352 175.800 0.259 0.000 1.116 524 F CA -0.777 57.329 58.000 0.176 0.000 0.930 524 F CB 1.084 40.177 39.000 0.154 0.000 1.146 524 F HN 0.530 nan 8.300 nan 0.000 0.447 525 W N 3.297 124.787 121.300 0.315 0.000 2.283 525 W HA 0.504 5.165 4.660 0.002 0.000 0.341 525 W C -0.551 176.225 176.519 0.427 0.000 1.206 525 W CA -0.387 57.155 57.345 0.327 0.000 1.294 525 W CB 0.547 30.109 29.460 0.170 0.000 1.154 525 W HN 0.456 nan 8.180 nan 0.000 0.613 526 Y N -0.765 119.933 120.300 0.664 0.000 2.670 526 Y HA 0.617 5.168 4.550 0.002 0.000 0.334 526 Y C -1.152 175.004 175.900 0.428 0.000 1.185 526 Y CA -1.951 56.522 58.100 0.621 0.000 1.053 526 Y CB 0.988 39.969 38.460 0.869 0.000 1.298 526 Y HN 0.570 nan 8.280 nan 0.000 0.459 527 Q N 2.036 122.124 119.800 0.480 0.000 2.416 527 Q HA 0.800 5.142 4.340 0.002 0.000 0.281 527 Q C -1.881 174.269 176.000 0.250 0.000 1.067 527 Q CA -1.212 54.737 55.803 0.243 0.000 0.809 527 Q CB 3.439 32.269 28.738 0.154 0.000 1.418 527 Q HN 0.834 nan 8.270 nan 0.000 0.411 528 M N 2.401 122.058 119.600 0.095 0.000 2.271 528 M HA 0.409 4.890 4.480 0.002 0.000 0.285 528 M C -1.283 174.944 176.300 -0.122 0.000 1.059 528 M CA -0.892 54.384 55.300 -0.039 0.000 0.940 528 M CB 2.197 34.727 32.600 -0.116 0.000 1.636 528 M HN 0.600 nan 8.290 nan 0.000 0.460 529 I N 5.059 125.554 120.570 -0.124 0.000 2.308 529 I HA 0.315 4.486 4.170 0.002 0.000 0.293 529 I C -0.263 175.703 176.117 -0.252 0.000 1.078 529 I CA -0.203 60.999 61.300 -0.163 0.000 1.292 529 I CB -0.042 37.883 38.000 -0.127 0.000 1.423 529 I HN 0.653 nan 8.210 nan 0.000 0.493 530 L N 8.587 129.605 121.223 -0.343 0.000 2.312 530 L HA 0.414 4.755 4.340 0.002 0.000 0.281 530 L C -2.121 174.552 176.870 -0.328 0.000 1.070 530 L CA -1.753 52.780 54.840 -0.512 0.000 0.805 530 L CB 0.944 42.491 42.059 -0.853 0.000 1.174 530 L HN 0.271 nan 8.230 nan 0.000 0.434 531 P HA 0.090 nan 4.420 nan 0.000 0.269 531 P C -2.481 174.775 177.300 -0.073 0.000 1.217 531 P CA -0.883 62.141 63.100 -0.126 0.000 0.783 531 P CB -0.084 31.586 31.700 -0.049 0.000 0.898 532 P HA 0.005 nan 4.420 nan 0.000 0.267 532 P C -0.517 176.724 177.300 -0.099 0.000 1.200 532 P CA 0.471 63.446 63.100 -0.208 0.000 0.772 532 P CB -0.235 31.262 31.700 -0.338 0.000 0.855 533 H N -1.701 117.407 119.070 0.064 0.000 2.791 533 H HA -0.215 4.342 4.556 0.002 0.000 0.302 533 H C -0.007 175.381 175.328 0.101 0.000 1.198 533 H CA -0.513 55.576 56.048 0.068 0.000 1.145 533 H CB -2.126 27.668 29.762 0.054 0.000 1.385 533 H HN 0.319 nan 8.280 nan 0.000 0.409 534 F N 2.461 122.420 119.950 0.014 0.000 2.623 534 F HA 0.041 4.569 4.527 0.002 0.000 0.386 534 F C 0.616 176.427 175.800 0.018 0.000 1.068 534 F CA 0.104 58.061 58.000 -0.071 0.000 1.265 534 F CB 0.456 39.309 39.000 -0.244 0.000 1.026 534 F HN 0.257 nan 8.300 nan 0.000 0.568 535 D N 6.192 126.231 120.400 -0.602 0.000 2.446 535 D HA 0.122 4.763 4.640 0.002 0.000 0.251 535 D C 0.602 176.501 176.300 -0.669 0.000 1.137 535 D CA -0.551 53.184 54.000 -0.442 0.000 0.890 535 D CB 0.863 41.574 40.800 -0.149 0.000 1.071 535 D HN 0.685 nan 8.370 nan 0.000 0.528 536 K N 1.144 121.114 120.400 -0.718 0.000 2.520 536 K HA -0.125 4.196 4.320 0.002 0.000 0.197 536 K C 1.347 177.924 176.600 -0.039 0.000 1.043 536 K CA 0.769 56.829 56.287 -0.378 0.000 0.944 536 K CB 0.110 32.558 32.500 -0.087 0.000 0.770 536 K HN 0.129 nan 8.250 nan 0.000 0.480 537 S N 0.396 116.040 115.700 -0.093 0.000 2.425 537 S HA 0.007 4.478 4.470 0.002 0.000 0.225 537 S C 0.633 175.208 174.600 -0.043 0.000 1.024 537 S CA 0.087 58.264 58.200 -0.039 0.000 0.951 537 S CB 0.078 63.244 63.200 -0.057 0.000 0.796 537 S HN 0.312 nan 8.310 nan 0.000 0.498 538 K N 1.371 121.717 120.400 -0.090 0.000 2.154 538 K HA 0.236 4.558 4.320 0.002 0.000 0.264 538 K C -0.674 175.864 176.600 -0.104 0.000 1.008 538 K CA -0.193 55.988 56.287 -0.175 0.000 0.937 538 K CB 0.574 32.852 32.500 -0.370 0.000 1.002 538 K HN 0.111 nan 8.250 nan 0.000 0.469 539 K N 3.242 123.535 120.400 -0.179 0.000 2.316 539 K HA 0.188 4.509 4.320 0.002 0.000 0.267 539 K C -1.156 175.351 176.600 -0.156 0.000 1.025 539 K CA -0.440 55.811 56.287 -0.061 0.000 0.896 539 K CB 0.760 33.220 32.500 -0.066 0.000 1.124 539 K HN 0.371 nan 8.250 nan 0.000 0.451 540 Y N 3.081 123.409 120.300 0.047 0.000 2.376 540 Y HA 0.263 4.814 4.550 0.002 0.000 0.325 540 Y C -1.829 174.007 175.900 -0.107 0.000 1.199 540 Y CA -2.461 55.641 58.100 0.003 0.000 1.206 540 Y CB 0.503 39.030 38.460 0.111 0.000 1.229 540 Y HN 0.480 nan 8.280 nan 0.000 0.480 541 P HA 0.266 nan 4.420 nan 0.000 0.276 541 P C -1.241 175.882 177.300 -0.295 0.000 1.244 541 P CA -0.329 62.477 63.100 -0.490 0.000 0.801 541 P CB 1.812 32.906 31.700 -1.010 0.000 1.006 542 L N 1.970 123.039 121.223 -0.257 0.000 2.436 542 L HA 0.517 4.858 4.340 0.002 0.000 0.268 542 L C -1.365 175.688 176.870 0.305 0.000 0.974 542 L CA -1.033 53.836 54.840 0.049 0.000 0.826 542 L CB 1.776 43.874 42.059 0.065 0.000 1.291 542 L HN 0.251 nan 8.230 nan 0.000 0.406 543 L N 5.418 126.842 121.223 0.336 0.000 2.305 543 L HA 0.425 4.766 4.340 0.002 0.000 0.284 543 L C -1.106 176.006 176.870 0.403 0.000 1.013 543 L CA -0.861 54.237 54.840 0.432 0.000 0.819 543 L CB 1.751 44.014 42.059 0.340 0.000 1.227 543 L HN 0.604 nan 8.230 nan 0.000 0.417 544 L N 5.176 126.689 121.223 0.484 0.000 2.278 544 L HA 0.302 4.643 4.340 0.002 0.000 0.287 544 L C -0.208 176.918 176.870 0.428 0.000 1.072 544 L CA 0.145 55.259 54.840 0.457 0.000 0.819 544 L CB 0.795 43.167 42.059 0.522 0.000 1.176 544 L HN 0.455 nan 8.230 nan 0.000 0.435 545 D N 4.379 125.007 120.400 0.379 0.000 2.347 545 D HA 0.254 4.895 4.640 0.002 0.000 0.235 545 D C -0.983 175.414 176.300 0.161 0.000 1.149 545 D CA 0.101 54.261 54.000 0.266 0.000 0.850 545 D CB 1.319 42.326 40.800 0.346 0.000 1.061 545 D HN 0.337 nan 8.370 nan 0.000 0.487 546 V N 5.304 125.235 119.914 0.029 0.000 2.864 546 V HA 0.477 4.598 4.120 0.002 0.000 0.314 546 V C -1.034 175.161 176.094 0.168 0.000 1.073 546 V CA -0.389 61.989 62.300 0.130 0.000 0.956 546 V CB 1.918 33.823 31.823 0.136 0.000 1.023 546 V HN 0.653 nan 8.190 nan 0.000 0.435 547 Y N 4.272 124.642 120.300 0.116 0.000 3.284 547 Y HA 0.580 5.131 4.550 0.002 0.000 0.165 547 Y C 1.382 177.426 175.900 0.240 0.000 0.881 547 Y CA 1.303 59.501 58.100 0.164 0.000 1.837 547 Y CB -0.007 38.528 38.460 0.124 0.000 1.398 547 Y HN 1.184 nan 8.280 nan 0.000 0.336 548 A N 0.947 123.901 122.820 0.223 0.000 2.860 548 A HA -0.107 4.214 4.320 0.002 0.000 0.267 548 A C 0.792 178.220 177.584 -0.260 0.000 1.421 548 A CA 0.966 53.055 52.037 0.088 0.000 0.831 548 A CB -2.350 16.759 19.000 0.180 0.000 1.041 548 A HN 1.024 nan 8.150 nan 0.000 0.623 549 G N -0.416 107.995 108.800 -0.649 0.000 2.539 549 G HA2 0.540 4.501 3.960 0.002 0.000 0.258 549 G HA3 0.540 4.501 3.960 0.002 0.000 0.258 549 G C -1.911 172.658 174.900 -0.552 0.000 1.202 549 G CA -0.904 43.407 45.100 -1.315 0.000 0.851 549 G HN 0.361 nan 8.290 nan 0.000 0.556 550 P HA -0.024 nan 4.420 nan 0.000 0.261 550 P C 0.696 177.866 177.300 -0.218 0.000 1.183 550 P CA 0.302 63.138 63.100 -0.440 0.000 0.761 550 P CB 0.675 31.762 31.700 -1.023 0.000 0.785 551 C N 2.324 121.554 119.300 -0.117 0.000 4.475 551 C HA -0.146 4.315 4.460 0.002 0.000 0.280 551 C C 1.087 176.091 174.990 0.024 0.000 1.338 551 C CA 1.140 60.054 59.018 -0.174 0.000 1.893 551 C CB -2.567 24.904 27.740 -0.447 0.000 1.299 551 C HN 0.824 nan 8.230 nan 0.000 0.767 552 S N -0.151 115.637 115.700 0.146 0.000 2.707 552 S HA 0.656 5.127 4.470 0.002 0.000 0.276 552 S C -0.621 174.159 174.600 0.301 0.000 1.179 552 S CA 0.110 58.498 58.200 0.313 0.000 0.992 552 S CB 1.685 65.135 63.200 0.417 0.000 1.030 552 S HN 0.838 nan 8.310 nan 0.000 0.554 553 Q N -0.335 119.656 119.800 0.319 0.000 2.406 553 Q HA 0.330 4.671 4.340 0.002 0.000 0.244 553 Q C -0.738 175.384 176.000 0.203 0.000 0.884 553 Q CA -0.554 55.414 55.803 0.276 0.000 0.813 553 Q CB 0.982 29.920 28.738 0.333 0.000 1.368 553 Q HN 0.635 nan 8.270 nan 0.000 0.439 554 K N 0.845 121.366 120.400 0.202 0.000 2.361 554 K HA 0.317 4.638 4.320 0.002 0.000 0.194 554 K C -0.163 176.541 176.600 0.174 0.000 1.032 554 K CA 0.415 56.811 56.287 0.180 0.000 1.048 554 K CB 1.229 33.864 32.500 0.225 0.000 0.842 554 K HN 0.490 nan 8.250 nan 0.000 0.526 555 A N 2.777 125.712 122.820 0.192 0.000 2.273 555 A HA 0.423 4.744 4.320 0.002 0.000 0.320 555 A C -0.701 176.952 177.584 0.114 0.000 1.358 555 A CA -0.529 51.624 52.037 0.192 0.000 0.910 555 A CB 0.106 19.284 19.000 0.297 0.000 1.159 555 A HN 0.259 nan 8.150 nan 0.000 0.526 556 D N -0.097 120.341 120.400 0.065 0.000 2.812 556 D HA 0.442 5.083 4.640 0.002 0.000 0.318 556 D C 0.416 176.719 176.300 0.004 0.000 1.234 556 D CA 0.310 54.329 54.000 0.031 0.000 0.989 556 D CB 0.325 41.127 40.800 0.003 0.000 1.442 556 D HN 0.185 nan 8.370 nan 0.000 0.537 557 T N -2.317 112.247 114.554 0.017 0.000 3.145 557 T HA 0.320 4.671 4.350 0.002 0.000 0.255 557 T C 0.317 174.972 174.700 -0.076 0.000 1.039 557 T CA -0.380 61.730 62.100 0.016 0.000 0.928 557 T CB -0.631 68.297 68.868 0.100 0.000 1.029 557 T HN 0.263 nan 8.240 nan 0.000 0.554 558 V N 2.704 122.465 119.914 -0.256 0.000 2.637 558 V HA 0.303 4.424 4.120 0.002 0.000 0.296 558 V C 0.116 176.149 176.094 -0.101 0.000 1.046 558 V CA -0.855 61.268 62.300 -0.295 0.000 1.066 558 V CB -0.028 31.512 31.823 -0.472 0.000 0.968 558 V HN 0.582 nan 8.190 nan 0.000 0.483 559 F N 6.721 126.573 119.950 -0.164 0.000 2.424 559 F HA 0.546 5.074 4.527 0.002 0.000 0.356 559 F C 0.506 176.247 175.800 -0.099 0.000 1.110 559 F CA -0.187 57.742 58.000 -0.119 0.000 1.161 559 F CB 0.211 39.147 39.000 -0.107 0.000 1.115 559 F HN 0.438 nan 8.300 nan 0.000 0.507 560 R N 5.504 125.543 120.500 -0.768 0.000 2.795 560 R HA 0.602 4.943 4.340 0.002 0.000 0.275 560 R C -1.869 174.014 176.300 -0.694 0.000 0.981 560 R CA -1.303 54.472 56.100 -0.542 0.000 0.917 560 R CB 1.965 32.109 30.300 -0.260 0.000 1.202 560 R HN 0.504 nan 8.270 nan 0.000 0.469 561 L N 3.788 124.794 121.223 -0.361 0.000 2.433 561 L HA 0.300 4.641 4.340 0.002 0.000 0.256 561 L C -0.910 175.962 176.870 0.003 0.000 1.063 561 L CA -0.421 54.262 54.840 -0.262 0.000 0.922 561 L CB 0.332 42.349 42.059 -0.071 0.000 1.238 561 L HN 0.708 nan 8.230 nan 0.000 0.466 562 N N -0.427 118.208 118.700 -0.109 0.000 3.379 562 N HA 0.201 4.942 4.740 0.002 0.000 0.350 562 N C 0.594 175.763 175.510 -0.568 0.000 1.553 562 N CA -0.773 52.140 53.050 -0.228 0.000 0.712 562 N CB -0.101 38.358 38.487 -0.047 0.000 1.880 562 N HN 0.187 nan 8.380 nan 0.000 0.648 563 W N 0.462 121.193 121.300 -0.948 0.000 2.363 563 W HA 0.165 4.826 4.660 0.001 0.000 0.296 563 W C 1.994 178.460 176.519 -0.088 0.000 1.212 563 W CA 2.582 59.573 57.345 -0.589 0.000 1.260 563 W CB -0.943 28.371 29.460 -0.243 0.000 1.131 563 W HN 0.676 nan 8.180 nan 0.000 0.530 564 A N -0.647 122.161 122.820 -0.020 0.000 2.015 564 A HA -0.159 4.162 4.320 0.002 0.000 0.219 564 A C 1.930 179.424 177.584 -0.150 0.000 1.163 564 A CA 2.219 54.183 52.037 -0.123 0.000 0.646 564 A CB -1.185 17.824 19.000 0.016 0.000 0.806 564 A HN 0.277 nan 8.150 nan 0.000 0.448 565 T N -1.103 113.383 114.554 -0.113 0.000 2.684 565 T HA -0.208 4.143 4.350 0.002 0.000 0.267 565 T C 1.819 176.557 174.700 0.062 0.000 1.036 565 T CA 1.788 63.812 62.100 -0.126 0.000 1.148 565 T CB -0.493 68.174 68.868 -0.336 0.000 0.863 565 T HN 0.695 nan 8.240 nan 0.000 0.436 566 Y N 2.165 122.535 120.300 0.117 0.000 2.145 566 Y HA -0.027 4.524 4.550 0.002 0.000 0.286 566 Y C 1.974 177.840 175.900 -0.056 0.000 1.145 566 Y CA 0.938 59.112 58.100 0.123 0.000 1.148 566 Y CB -0.780 37.733 38.460 0.088 0.000 0.981 566 Y HN 0.114 nan 8.280 nan 0.000 0.507 567 L N 0.240 121.001 121.223 -0.770 0.000 2.079 567 L HA -0.243 4.098 4.340 0.002 0.000 0.210 567 L C 2.786 179.393 176.870 -0.439 0.000 1.081 567 L CA 1.388 55.728 54.840 -0.833 0.000 0.752 567 L CB -1.050 40.574 42.059 -0.725 0.000 0.896 567 L HN 0.443 nan 8.230 nan 0.000 0.433 568 A N -1.134 121.515 122.820 -0.286 0.000 1.855 568 A HA -0.157 4.164 4.320 0.002 0.000 0.213 568 A C 2.518 180.027 177.584 -0.125 0.000 1.195 568 A CA 1.548 53.477 52.037 -0.180 0.000 0.610 568 A CB -0.614 18.284 19.000 -0.172 0.000 0.837 568 A HN 0.309 nan 8.150 nan 0.000 0.444 569 S N -1.017 114.630 115.700 -0.088 0.000 2.356 569 S HA -0.127 4.344 4.470 0.002 0.000 0.223 569 S C 1.961 176.565 174.600 0.006 0.000 1.032 569 S CA 2.379 60.570 58.200 -0.014 0.000 1.005 569 S CB -0.380 62.872 63.200 0.087 0.000 0.867 569 S HN 0.584 nan 8.310 nan 0.000 0.449 570 T N 1.024 115.563 114.554 -0.024 0.000 3.021 570 T HA 0.188 4.539 4.350 0.002 0.000 0.245 570 T C 1.351 176.016 174.700 -0.059 0.000 1.028 570 T CA 0.470 62.574 62.100 0.007 0.000 1.139 570 T CB -0.091 68.863 68.868 0.143 0.000 0.884 570 T HN 0.293 nan 8.240 nan 0.000 0.457 571 E N 1.373 121.447 120.200 -0.210 0.000 2.479 571 E HA 0.160 4.511 4.350 0.002 0.000 0.193 571 E C -0.047 176.528 176.600 -0.042 0.000 1.049 571 E CA -0.086 56.231 56.400 -0.138 0.000 0.870 571 E CB -0.399 29.151 29.700 -0.250 0.000 0.944 571 E HN 0.532 nan 8.360 nan 0.000 0.492 572 N N 0.599 119.285 118.700 -0.023 0.000 2.727 572 N HA -0.199 4.542 4.740 0.002 0.000 0.249 572 N C -0.814 174.771 175.510 0.124 0.000 1.048 572 N CA 0.280 53.383 53.050 0.089 0.000 0.714 572 N CB -1.223 37.369 38.487 0.175 0.000 0.959 572 N HN 0.215 nan 8.380 nan 0.000 0.544 573 I N 0.761 121.332 120.570 0.002 0.000 2.412 573 I HA 0.378 4.549 4.170 0.002 0.000 0.296 573 I C 0.601 176.692 176.117 -0.044 0.000 0.987 573 I CA -0.870 60.440 61.300 0.016 0.000 1.180 573 I CB 1.357 39.373 38.000 0.027 0.000 1.340 573 I HN 0.019 nan 8.210 nan 0.000 0.455 574 I N 6.014 126.569 120.570 -0.026 0.000 2.428 574 I HA 0.242 4.413 4.170 0.002 0.000 0.289 574 I C -0.495 175.607 176.117 -0.026 0.000 1.019 574 I CA -0.549 60.696 61.300 -0.091 0.000 1.351 574 I CB 1.226 39.180 38.000 -0.078 0.000 1.412 574 I HN 0.177 nan 8.210 nan 0.000 0.513 575 V N 5.929 125.816 119.914 -0.045 0.000 2.378 575 V HA 0.684 4.805 4.120 0.002 0.000 0.288 575 V C 0.147 176.268 176.094 0.044 0.000 1.016 575 V CA -0.465 61.862 62.300 0.044 0.000 0.840 575 V CB 1.280 33.127 31.823 0.039 0.000 0.994 575 V HN 0.858 nan 8.190 nan 0.000 0.431 576 A N 3.710 126.590 122.820 0.100 0.000 2.380 576 A HA 0.961 5.282 4.320 0.002 0.000 0.315 576 A C -0.293 177.463 177.584 0.286 0.000 1.101 576 A CA -0.558 51.536 52.037 0.096 0.000 0.771 576 A CB 1.916 20.790 19.000 -0.210 0.000 1.287 576 A HN 0.683 nan 8.150 nan 0.000 0.436 577 S N -0.133 115.787 115.700 0.367 0.000 2.541 577 S HA 0.728 5.199 4.470 0.002 0.000 0.280 577 S C -1.567 173.410 174.600 0.628 0.000 1.112 577 S CA -0.282 58.178 58.200 0.433 0.000 0.925 577 S CB 1.244 64.630 63.200 0.311 0.000 1.067 577 S HN 0.737 nan 8.310 nan 0.000 0.479 578 F N 2.155 122.354 119.950 0.415 0.000 2.547 578 F HA 0.473 5.001 4.527 0.002 0.000 0.316 578 F C -1.355 174.653 175.800 0.347 0.000 1.121 578 F CA -0.961 57.302 58.000 0.437 0.000 0.911 578 F CB 1.468 40.687 39.000 0.366 0.000 1.179 578 F HN 0.393 nan 8.300 nan 0.000 0.443 579 D N 4.853 125.092 120.400 -0.270 0.000 2.485 579 D HA 0.334 4.975 4.640 0.002 0.000 0.221 579 D C 0.426 176.451 176.300 -0.459 0.000 1.112 579 D CA 0.127 54.017 54.000 -0.183 0.000 0.911 579 D CB 1.318 42.170 40.800 0.085 0.000 1.019 579 D HN 0.750 nan 8.370 nan 0.000 0.516 580 G N 1.039 109.586 108.800 -0.422 0.000 2.641 580 G HA2 0.266 4.227 3.960 0.002 0.000 0.239 580 G HA3 0.266 4.227 3.960 0.002 0.000 0.239 580 G C 0.168 175.058 174.900 -0.017 0.000 1.402 580 G CA -0.758 44.129 45.100 -0.355 0.000 1.046 580 G HN 0.280 nan 8.290 nan 0.000 0.565 581 R N -0.583 119.884 120.500 -0.056 0.000 2.538 581 R HA 0.343 4.684 4.340 0.002 0.000 0.282 581 R C 1.228 177.605 176.300 0.129 0.000 1.009 581 R CA 1.604 57.773 56.100 0.115 0.000 1.063 581 R CB 0.335 30.674 30.300 0.064 0.000 0.945 581 R HN 1.025 nan 8.270 nan 0.000 0.414 582 G N 1.472 110.347 108.800 0.126 0.000 2.307 582 G HA2 -0.257 3.704 3.960 0.002 0.000 0.210 582 G HA3 -0.257 3.704 3.960 0.002 0.000 0.210 582 G C 0.179 175.103 174.900 0.039 0.000 1.005 582 G CA -0.112 45.041 45.100 0.089 0.000 0.634 582 G HN 0.589 nan 8.290 nan 0.000 0.496 583 S N 1.070 116.806 115.700 0.060 0.000 2.559 583 S HA 0.460 4.931 4.470 0.002 0.000 0.282 583 S C 1.020 175.607 174.600 -0.021 0.000 1.336 583 S CA 0.611 58.844 58.200 0.056 0.000 1.037 583 S CB 0.913 64.178 63.200 0.109 0.000 0.853 583 S HN 1.347 nan 8.310 nan 0.000 0.523 584 G N -0.152 108.608 108.800 -0.067 0.000 2.552 584 G HA2 0.518 4.479 3.960 0.002 0.000 0.318 584 G HA3 0.518 4.479 3.960 0.002 0.000 0.318 584 G C -0.961 173.808 174.900 -0.218 0.000 1.240 584 G CA -0.727 44.173 45.100 -0.332 0.000 1.002 584 G HN 0.797 nan 8.290 nan 0.000 0.493 585 Y N -2.403 117.872 120.300 -0.041 0.000 4.798 585 Y HA -0.214 4.337 4.550 0.002 0.000 0.237 585 Y C 1.430 177.306 175.900 -0.039 0.000 1.017 585 Y CA 1.101 59.184 58.100 -0.027 0.000 2.010 585 Y CB -2.053 36.418 38.460 0.019 0.000 1.582 585 Y HN 0.536 nan 8.280 nan 0.000 0.621 586 Q N -0.060 119.718 119.800 -0.038 0.000 2.086 586 Q HA 0.505 4.846 4.340 0.002 0.000 0.220 586 Q C 0.896 176.694 176.000 -0.337 0.000 0.792 586 Q CA 0.234 56.005 55.803 -0.054 0.000 1.062 586 Q CB 1.646 30.376 28.738 -0.014 0.000 1.198 586 Q HN 0.571 nan 8.270 nan 0.000 0.466 587 G N 0.725 109.187 108.800 -0.563 0.000 2.690 587 G HA2 -0.181 3.780 3.960 0.002 0.000 0.686 587 G HA3 -0.181 3.780 3.960 0.002 0.000 0.686 587 G C -0.429 174.072 174.900 -0.666 0.000 1.277 587 G CA -0.512 43.981 45.100 -1.011 0.000 0.799 587 G HN 0.119 nan 8.290 nan 0.000 0.613 588 D N 0.111 120.110 120.400 -0.669 0.000 2.219 588 D HA -0.069 4.572 4.640 0.002 0.000 0.205 588 D C 2.210 178.268 176.300 -0.405 0.000 0.970 588 D CA 1.270 54.867 54.000 -0.672 0.000 0.851 588 D CB 0.012 40.383 40.800 -0.716 0.000 0.943 588 D HN 0.619 nan 8.370 nan 0.000 0.488 589 K N 0.644 120.867 120.400 -0.295 0.000 2.074 589 K HA -0.152 4.169 4.320 0.002 0.000 0.209 589 K C 2.080 178.624 176.600 -0.094 0.000 1.048 589 K CA 0.950 57.151 56.287 -0.145 0.000 0.926 589 K CB -0.063 32.371 32.500 -0.111 0.000 0.713 589 K HN 0.116 nan 8.250 nan 0.000 0.444 590 I N 0.276 120.769 120.570 -0.129 0.000 2.235 590 I HA -0.223 3.948 4.170 0.002 0.000 0.241 590 I C 2.659 178.767 176.117 -0.015 0.000 1.085 590 I CA 0.865 62.151 61.300 -0.022 0.000 1.378 590 I CB -0.114 37.870 38.000 -0.026 0.000 1.076 590 I HN 0.281 nan 8.210 nan 0.000 0.415 591 M N 0.083 119.601 119.600 -0.137 0.000 2.117 591 M HA -0.250 4.231 4.480 0.002 0.000 0.262 591 M C 1.925 178.241 176.300 0.027 0.000 1.065 591 M CA 2.019 57.254 55.300 -0.107 0.000 1.114 591 M CB -0.343 32.081 32.600 -0.292 0.000 1.361 591 M HN 0.267 nan 8.290 nan 0.000 0.408 592 H N -0.683 118.291 119.070 -0.159 0.000 2.547 592 H HA 0.155 4.712 4.556 0.002 0.000 0.266 592 H C 1.830 177.180 175.328 0.036 0.000 0.988 592 H CA 0.122 56.075 56.048 -0.157 0.000 1.147 592 H CB 0.141 29.713 29.762 -0.317 0.000 1.365 592 H HN 0.533 nan 8.280 nan 0.000 0.589 593 A N 1.454 124.383 122.820 0.182 0.000 2.024 593 A HA -0.125 4.196 4.320 0.002 0.000 0.220 593 A C 1.936 179.731 177.584 0.352 0.000 1.164 593 A CA 1.050 53.217 52.037 0.216 0.000 0.643 593 A CB -0.606 18.483 19.000 0.148 0.000 0.806 593 A HN 0.584 nan 8.150 nan 0.000 0.451 594 I N -3.270 117.484 120.570 0.307 0.000 3.889 594 I HA 0.202 4.373 4.170 0.002 0.000 0.332 594 I C 0.194 176.417 176.117 0.176 0.000 1.493 594 I CA -0.557 60.881 61.300 0.231 0.000 1.158 594 I CB -0.497 37.609 38.000 0.176 0.000 1.117 594 I HN 0.174 nan 8.210 nan 0.000 0.411 595 N N 2.934 121.779 118.700 0.242 0.000 2.447 595 N HA -0.019 4.722 4.740 0.002 0.000 0.263 595 N C 0.265 175.822 175.510 0.078 0.000 1.226 595 N CA 0.243 53.441 53.050 0.247 0.000 0.906 595 N CB 0.395 38.986 38.487 0.173 0.000 1.060 595 N HN 0.447 nan 8.380 nan 0.000 0.468 596 R N 0.555 121.082 120.500 0.045 0.000 4.010 596 R HA -0.159 4.182 4.340 0.002 0.000 0.409 596 R C -0.351 175.856 176.300 -0.156 0.000 1.120 596 R CA 0.921 57.000 56.100 -0.035 0.000 1.244 596 R CB -0.792 29.496 30.300 -0.020 0.000 1.799 596 R HN 0.600 nan 8.270 nan 0.000 0.559 597 R N 0.910 121.307 120.500 -0.172 0.000 2.881 597 R HA 0.331 4.672 4.340 0.002 0.000 0.331 597 R C -0.189 176.104 176.300 -0.011 0.000 1.207 597 R CA -0.341 55.539 56.100 -0.366 0.000 1.265 597 R CB 0.253 30.293 30.300 -0.432 0.000 1.351 597 R HN 0.134 nan 8.270 nan 0.000 0.613 598 L N -0.070 121.217 121.223 0.107 0.000 2.483 598 L HA 0.164 4.505 4.340 0.002 0.000 0.276 598 L C 1.276 178.396 176.870 0.416 0.000 1.213 598 L CA 0.976 55.904 54.840 0.147 0.000 0.843 598 L CB 0.500 42.421 42.059 -0.230 0.000 1.107 598 L HN 0.753 nan 8.230 nan 0.000 0.487 599 G N 1.235 110.314 108.800 0.466 0.000 2.136 599 G HA2 -0.293 3.668 3.960 0.002 0.000 0.242 599 G HA3 -0.293 3.668 3.960 0.002 0.000 0.242 599 G C 0.484 175.481 174.900 0.162 0.000 0.989 599 G CA 0.575 45.904 45.100 0.381 0.000 0.682 599 G HN 0.799 nan 8.290 nan 0.000 0.522 600 T N -3.147 111.457 114.554 0.084 0.000 3.166 600 T HA 0.475 4.826 4.350 0.002 0.000 0.182 600 T C 1.665 176.358 174.700 -0.013 0.000 0.810 600 T CA 0.912 62.960 62.100 -0.087 0.000 1.441 600 T CB -0.130 68.484 68.868 -0.422 0.000 2.201 600 T HN 0.141 nan 8.240 nan 0.000 0.414 601 F N 3.492 123.483 119.950 0.069 0.000 2.154 601 F HA 0.021 4.549 4.527 0.002 0.000 0.301 601 F C 2.768 178.600 175.800 0.053 0.000 1.087 601 F CA 1.247 59.275 58.000 0.047 0.000 1.274 601 F CB -0.781 38.242 39.000 0.038 0.000 1.009 601 F HN 0.533 nan 8.300 nan 0.000 0.485 602 E N 1.244 121.600 120.200 0.260 0.000 2.268 602 E HA -0.130 4.221 4.350 0.002 0.000 0.195 602 E C 2.079 178.785 176.600 0.176 0.000 0.995 602 E CA 1.652 58.175 56.400 0.204 0.000 0.836 602 E CB -1.001 28.823 29.700 0.207 0.000 0.763 602 E HN 0.395 nan 8.360 nan 0.000 0.491 603 V N -0.828 119.167 119.914 0.135 0.000 2.575 603 V HA -0.002 4.119 4.120 0.002 0.000 0.242 603 V C 2.011 178.149 176.094 0.074 0.000 1.045 603 V CA 1.178 63.517 62.300 0.064 0.000 1.065 603 V CB -0.367 31.435 31.823 -0.034 0.000 0.717 603 V HN 0.016 nan 8.190 nan 0.000 0.467 604 E N 0.661 120.920 120.200 0.097 0.000 2.118 604 E HA -0.230 4.121 4.350 0.002 0.000 0.195 604 E C 1.887 178.537 176.600 0.084 0.000 0.992 604 E CA 1.831 58.288 56.400 0.096 0.000 0.804 604 E CB -0.207 29.581 29.700 0.147 0.000 0.741 604 E HN 0.641 nan 8.360 nan 0.000 0.458 605 D N 0.090 120.558 120.400 0.113 0.000 2.183 605 D HA -0.125 4.516 4.640 0.002 0.000 0.203 605 D C 1.890 178.282 176.300 0.153 0.000 0.969 605 D CA 0.773 54.841 54.000 0.114 0.000 0.842 605 D CB -0.085 40.792 40.800 0.129 0.000 0.957 605 D HN 0.014 nan 8.370 nan 0.000 0.484 606 Q N 0.187 120.099 119.800 0.187 0.000 2.119 606 Q HA 0.030 4.371 4.340 0.002 0.000 0.201 606 Q C 2.077 178.155 176.000 0.131 0.000 0.972 606 Q CA 0.766 56.691 55.803 0.202 0.000 0.847 606 Q CB -0.123 28.723 28.738 0.180 0.000 0.903 606 Q HN 0.319 nan 8.270 nan 0.000 0.433 607 I N -0.023 120.625 120.570 0.130 0.000 2.252 607 I HA -0.222 3.950 4.170 0.002 0.000 0.245 607 I C 2.111 178.219 176.117 -0.015 0.000 1.102 607 I CA 1.279 62.697 61.300 0.197 0.000 1.385 607 I CB -0.195 37.898 38.000 0.155 0.000 1.064 607 I HN 0.231 nan 8.210 nan 0.000 0.414 608 E N 1.464 121.602 120.200 -0.102 0.000 2.153 608 E HA -0.183 4.168 4.350 0.002 0.000 0.194 608 E C 2.041 178.364 176.600 -0.461 0.000 0.988 608 E CA 1.494 57.762 56.400 -0.219 0.000 0.811 608 E CB -0.084 29.512 29.700 -0.175 0.000 0.746 608 E HN 0.423 nan 8.360 nan 0.000 0.466 609 A N 1.000 123.405 122.820 -0.691 0.000 1.845 609 A HA -0.041 4.280 4.320 0.002 0.000 0.215 609 A C 2.510 179.367 177.584 -1.211 0.000 1.195 609 A CA 2.206 53.448 52.037 -1.325 0.000 0.616 609 A CB -1.313 16.724 19.000 -1.605 0.000 0.832 609 A HN 0.395 nan 8.150 nan 0.000 0.443 610 A N -0.236 122.237 122.820 -0.577 0.000 1.884 610 A HA -0.278 4.043 4.320 0.002 0.000 0.219 610 A C 2.282 179.669 177.584 -0.328 0.000 1.197 610 A CA 2.232 54.103 52.037 -0.276 0.000 0.637 610 A CB -0.642 18.236 19.000 -0.204 0.000 0.827 610 A HN 0.578 nan 8.150 nan 0.000 0.450 611 R N -0.662 119.639 120.500 -0.333 0.000 2.105 611 R HA -0.185 4.156 4.340 0.002 0.000 0.239 611 R C 2.258 178.399 176.300 -0.265 0.000 1.135 611 R CA 1.889 57.831 56.100 -0.264 0.000 0.967 611 R CB -0.240 29.933 30.300 -0.211 0.000 0.861 611 R HN 0.720 nan 8.270 nan 0.000 0.442 612 Q N -1.024 118.551 119.800 -0.375 0.000 2.269 612 Q HA -0.066 4.275 4.340 0.002 0.000 0.201 612 Q C 1.809 177.661 176.000 -0.248 0.000 0.946 612 Q CA 0.678 56.285 55.803 -0.327 0.000 0.877 612 Q CB 0.116 28.619 28.738 -0.393 0.000 0.963 612 Q HN 0.293 nan 8.270 nan 0.000 0.472 613 F N 1.349 121.112 119.950 -0.312 0.000 2.134 613 F HA -0.178 4.350 4.527 0.002 0.000 0.299 613 F C 2.755 178.341 175.800 -0.357 0.000 1.097 613 F CA 1.416 59.211 58.000 -0.341 0.000 1.264 613 F CB -1.145 37.691 39.000 -0.273 0.000 1.001 613 F HN 0.064 nan 8.300 nan 0.000 0.479 614 S N -0.675 114.968 115.700 -0.095 0.000 2.442 614 S HA -0.132 4.339 4.470 0.002 0.000 0.236 614 S C 1.580 176.069 174.600 -0.185 0.000 1.007 614 S CA 0.801 58.907 58.200 -0.158 0.000 0.965 614 S CB -0.374 62.738 63.200 -0.146 0.000 0.773 614 S HN 0.168 nan 8.310 nan 0.000 0.504 615 K N 0.535 120.830 120.400 -0.175 0.000 2.476 615 K HA 0.353 4.674 4.320 0.002 0.000 0.196 615 K C 0.950 177.452 176.600 -0.163 0.000 1.025 615 K CA 0.115 56.311 56.287 -0.151 0.000 1.138 615 K CB -0.227 32.197 32.500 -0.127 0.000 0.860 615 K HN 0.533 nan 8.250 nan 0.000 0.515 616 M N -1.308 118.133 119.600 -0.264 0.000 2.465 616 M HA 0.067 4.548 4.480 0.002 0.000 0.249 616 M C 0.996 177.120 176.300 -0.294 0.000 1.130 616 M CA 0.608 55.732 55.300 -0.294 0.000 1.067 616 M CB 0.563 32.892 32.600 -0.452 0.000 1.394 616 M HN 0.351 nan 8.290 nan 0.000 0.483 617 G N 1.022 109.643 108.800 -0.299 0.000 2.213 617 G HA2 -0.279 3.682 3.960 0.002 0.000 0.236 617 G HA3 -0.279 3.682 3.960 0.002 0.000 0.236 617 G C 0.366 175.244 174.900 -0.036 0.000 0.991 617 G CA 0.238 45.263 45.100 -0.126 0.000 0.629 617 G HN 0.559 nan 8.290 nan 0.000 0.517 618 F N 0.323 120.324 119.950 0.085 0.000 2.708 618 F HA 0.788 5.316 4.527 0.002 0.000 0.300 618 F C -0.072 175.841 175.800 0.189 0.000 1.118 618 F CA -1.406 56.681 58.000 0.146 0.000 1.307 618 F CB 0.259 39.404 39.000 0.242 0.000 0.986 618 F HN 0.078 nan 8.300 nan 0.000 0.522 619 V N 1.237 121.139 119.914 -0.021 0.000 2.487 619 V HA 0.239 4.360 4.120 0.002 0.000 0.298 619 V C -0.849 175.218 176.094 -0.044 0.000 1.028 619 V CA -0.746 61.554 62.300 -0.001 0.000 0.860 619 V CB 1.795 33.549 31.823 -0.115 0.000 0.991 619 V HN 0.134 nan 8.190 nan 0.000 0.427 620 D N 3.789 124.161 120.400 -0.048 0.000 2.402 620 D HA 0.054 4.695 4.640 0.002 0.000 0.235 620 D C 1.180 177.421 176.300 -0.098 0.000 1.226 620 D CA -0.312 53.637 54.000 -0.085 0.000 0.918 620 D CB 0.552 41.284 40.800 -0.113 0.000 1.043 620 D HN 0.640 nan 8.370 nan 0.000 0.506 621 N N 2.962 121.607 118.700 -0.092 0.000 2.635 621 N HA -0.176 4.565 4.740 0.002 0.000 0.191 621 N C 0.680 176.141 175.510 -0.081 0.000 1.155 621 N CA 0.770 53.760 53.050 -0.101 0.000 0.927 621 N CB -0.149 38.274 38.487 -0.106 0.000 0.976 621 N HN 0.377 nan 8.380 nan 0.000 0.448 622 K N -0.405 119.955 120.400 -0.066 0.000 2.404 622 K HA 0.199 4.520 4.320 0.002 0.000 0.194 622 K C 0.099 176.694 176.600 -0.009 0.000 1.023 622 K CA 0.115 56.382 56.287 -0.034 0.000 1.094 622 K CB 0.450 32.932 32.500 -0.030 0.000 0.841 622 K HN 0.136 nan 8.250 nan 0.000 0.523 623 R N 1.239 121.703 120.500 -0.060 0.000 2.653 623 R HA 0.343 4.684 4.340 0.002 0.000 0.269 623 R C -1.107 175.127 176.300 -0.109 0.000 1.603 623 R CA -0.127 55.927 56.100 -0.076 0.000 1.671 623 R CB 0.634 30.723 30.300 -0.351 0.000 1.300 623 R HN -0.006 nan 8.270 nan 0.000 0.668 624 I N 1.216 121.861 120.570 0.126 0.000 2.389 624 I HA 0.545 4.716 4.170 0.002 0.000 0.288 624 I C -0.012 176.385 176.117 0.466 0.000 0.999 624 I CA -0.684 60.726 61.300 0.184 0.000 1.129 624 I CB 1.899 39.847 38.000 -0.086 0.000 1.288 624 I HN 0.305 nan 8.210 nan 0.000 0.444 625 A N 7.182 130.408 122.820 0.676 0.000 2.387 625 A HA 0.928 5.250 4.320 0.002 0.000 0.303 625 A C -1.084 176.881 177.584 0.635 0.000 1.145 625 A CA -0.658 51.752 52.037 0.623 0.000 0.801 625 A CB 2.083 21.303 19.000 0.366 0.000 1.342 625 A HN 0.732 nan 8.150 nan 0.000 0.440 626 I N 0.193 121.045 120.570 0.471 0.000 2.827 626 I HA 0.726 4.897 4.170 0.002 0.000 0.298 626 I C -1.993 174.390 176.117 0.443 0.000 1.235 626 I CA -0.615 60.894 61.300 0.350 0.000 1.021 626 I CB 1.807 39.728 38.000 -0.131 0.000 1.259 626 I HN 0.962 nan 8.210 nan 0.000 0.427 627 W N 6.687 128.118 121.300 0.219 0.000 3.146 627 W HA 0.824 5.485 4.660 0.002 0.000 0.319 627 W C -1.480 175.191 176.519 0.254 0.000 1.258 627 W CA -0.828 56.656 57.345 0.230 0.000 1.189 627 W CB 0.883 30.527 29.460 0.308 0.000 1.412 627 W HN 0.858 nan 8.180 nan 0.000 0.567 628 G N 0.505 109.206 108.800 -0.165 0.000 2.576 628 G HA2 0.485 4.446 3.960 0.002 0.000 0.290 628 G HA3 0.485 4.446 3.960 0.002 0.000 0.290 628 G C -2.832 172.006 174.900 -0.105 0.000 1.442 628 G CA -0.751 44.109 45.100 -0.399 0.000 0.792 628 G HN 0.624 nan 8.290 nan 0.000 0.491 629 W N 0.761 121.954 121.300 -0.179 0.000 2.702 629 W HA 0.595 5.256 4.660 0.002 0.000 0.331 629 W C 0.810 177.380 176.519 0.085 0.000 1.049 629 W CA 0.349 57.674 57.345 -0.034 0.000 1.230 629 W CB 1.859 31.294 29.460 -0.042 0.000 1.408 629 W HN 1.269 nan 8.180 nan 0.000 0.492 630 S N 2.856 118.809 115.700 0.422 0.000 4.140 630 S HA -0.434 4.037 4.470 0.002 0.000 0.618 630 S C 1.197 175.887 174.600 0.151 0.000 1.896 630 S CA 1.946 60.376 58.200 0.382 0.000 4.240 630 S CB -1.843 61.733 63.200 0.626 0.000 0.208 630 S HN 0.726 nan 8.310 nan 0.000 0.487 631 Y N 2.445 122.727 120.300 -0.031 0.000 2.207 631 Y HA 0.014 4.565 4.550 0.002 0.000 0.287 631 Y C 2.444 178.305 175.900 -0.064 0.000 1.156 631 Y CA 2.637 60.644 58.100 -0.155 0.000 1.182 631 Y CB -1.058 37.086 38.460 -0.527 0.000 0.979 631 Y HN 0.534 nan 8.280 nan 0.000 0.521 632 G N -1.121 107.753 108.800 0.123 0.000 2.448 632 G HA2 -0.218 3.743 3.960 0.002 0.000 0.219 632 G HA3 -0.218 3.743 3.960 0.002 0.000 0.219 632 G C 1.889 176.833 174.900 0.074 0.000 1.127 632 G CA 0.748 45.932 45.100 0.140 0.000 0.766 632 G HN 0.580 nan 8.290 nan 0.000 0.552 633 G N -0.278 108.567 108.800 0.075 0.000 2.403 633 G HA2 -0.188 3.773 3.960 0.002 0.000 0.216 633 G HA3 -0.188 3.773 3.960 0.002 0.000 0.216 633 G C 1.573 176.493 174.900 0.032 0.000 1.154 633 G CA 1.001 46.125 45.100 0.041 0.000 0.784 633 G HN 0.405 nan 8.290 nan 0.000 0.538 634 Y N 1.392 121.587 120.300 -0.174 0.000 2.114 634 Y HA -0.108 4.443 4.550 0.002 0.000 0.284 634 Y C 2.765 178.561 175.900 -0.173 0.000 1.143 634 Y CA 1.528 59.467 58.100 -0.269 0.000 1.135 634 Y CB -0.537 37.594 38.460 -0.549 0.000 0.980 634 Y HN 0.022 nan 8.280 nan 0.000 0.499 635 V N -0.167 119.617 119.914 -0.217 0.000 2.287 635 V HA -0.348 3.773 4.120 0.002 0.000 0.248 635 V C 2.341 178.319 176.094 -0.194 0.000 1.053 635 V CA 2.488 64.658 62.300 -0.216 0.000 1.027 635 V CB -1.202 30.648 31.823 0.045 0.000 0.646 635 V HN 0.506 nan 8.190 nan 0.000 0.447 636 T N -0.134 114.363 114.554 -0.095 0.000 2.635 636 T HA -0.221 4.130 4.350 0.002 0.000 0.267 636 T C 2.119 176.752 174.700 -0.113 0.000 1.040 636 T CA 2.093 64.147 62.100 -0.078 0.000 1.156 636 T CB -0.322 68.581 68.868 0.057 0.000 0.863 636 T HN 0.522 nan 8.240 nan 0.000 0.430 637 S N 0.893 116.559 115.700 -0.056 0.000 2.382 637 S HA -0.029 4.442 4.470 0.002 0.000 0.228 637 S C 2.110 176.605 174.600 -0.176 0.000 1.027 637 S CA 0.928 59.112 58.200 -0.027 0.000 0.991 637 S CB -0.269 62.971 63.200 0.067 0.000 0.823 637 S HN 0.310 nan 8.310 nan 0.000 0.469 638 M N 0.739 120.153 119.600 -0.310 0.000 2.175 638 M HA 0.007 4.488 4.480 0.002 0.000 0.264 638 M C 2.209 178.343 176.300 -0.277 0.000 1.063 638 M CA 1.002 56.103 55.300 -0.332 0.000 1.119 638 M CB -1.365 30.934 32.600 -0.501 0.000 1.377 638 M HN 0.174 nan 8.290 nan 0.000 0.415 639 V N 0.653 120.397 119.914 -0.284 0.000 2.307 639 V HA -0.235 3.887 4.120 0.002 0.000 0.245 639 V C 2.486 178.387 176.094 -0.323 0.000 1.045 639 V CA 1.383 63.518 62.300 -0.274 0.000 1.024 639 V CB -0.572 31.018 31.823 -0.389 0.000 0.651 639 V HN 0.400 nan 8.190 nan 0.000 0.449 640 L N 0.278 121.242 121.223 -0.432 0.000 2.265 640 L HA -0.049 4.292 4.340 0.002 0.000 0.215 640 L C 2.127 178.448 176.870 -0.916 0.000 1.117 640 L CA 1.404 55.889 54.840 -0.592 0.000 0.782 640 L CB -0.664 41.002 42.059 -0.654 0.000 0.914 640 L HN 0.493 nan 8.230 nan 0.000 0.441 641 G N -1.458 106.860 108.800 -0.803 0.000 3.337 641 G HA2 -0.026 3.935 3.960 0.002 0.000 0.246 641 G HA3 -0.026 3.935 3.960 0.002 0.000 0.246 641 G C 1.447 176.187 174.900 -0.267 0.000 1.131 641 G CA 0.549 45.277 45.100 -0.619 0.000 0.773 641 G HN 0.405 nan 8.290 nan 0.000 0.544 642 S N -0.546 115.017 115.700 -0.229 0.000 2.470 642 S HA 0.291 4.762 4.470 0.002 0.000 0.225 642 S C 1.920 176.471 174.600 -0.082 0.000 1.006 642 S CA 1.039 59.168 58.200 -0.118 0.000 0.934 642 S CB -0.141 63.009 63.200 -0.083 0.000 0.778 642 S HN 1.375 nan 8.310 nan 0.000 0.517 643 G N 1.372 110.110 108.800 -0.102 0.000 2.176 643 G HA2 -0.321 3.640 3.960 0.002 0.000 0.252 643 G HA3 -0.321 3.640 3.960 0.002 0.000 0.252 643 G C 0.877 175.761 174.900 -0.026 0.000 1.024 643 G CA 0.890 45.955 45.100 -0.060 0.000 0.755 643 G HN 1.274 nan 8.290 nan 0.000 0.507 644 S N -0.868 114.828 115.700 -0.007 0.000 2.436 644 S HA 0.325 4.796 4.470 0.002 0.000 0.228 644 S C 2.542 177.149 174.600 0.012 0.000 1.014 644 S CA 1.596 59.806 58.200 0.016 0.000 0.950 644 S CB -0.156 63.082 63.200 0.063 0.000 0.784 644 S HN 2.380 nan 8.310 nan 0.000 0.504 645 G N 0.316 109.130 108.800 0.023 0.000 2.189 645 G HA2 -0.315 3.646 3.960 0.002 0.000 0.267 645 G HA3 -0.315 3.646 3.960 0.002 0.000 0.267 645 G C 0.844 175.743 174.900 -0.002 0.000 0.975 645 G CA 0.513 45.621 45.100 0.014 0.000 0.644 645 G HN 0.674 nan 8.290 nan 0.000 0.537 646 V N -0.374 119.530 119.914 -0.018 0.000 2.358 646 V HA 0.131 4.253 4.120 0.002 0.000 0.246 646 V C 1.353 177.252 176.094 -0.326 0.000 1.047 646 V CA 1.768 63.937 62.300 -0.219 0.000 1.035 646 V CB -0.409 31.189 31.823 -0.375 0.000 0.658 646 V HN 0.329 nan 8.190 nan 0.000 0.452 647 F N 0.046 120.008 119.950 0.020 0.000 2.408 647 F HA 0.366 4.894 4.527 0.002 0.000 0.344 647 F C 1.109 176.953 175.800 0.073 0.000 1.112 647 F CA -0.523 57.517 58.000 0.066 0.000 1.096 647 F CB 1.134 40.178 39.000 0.072 0.000 1.129 647 F HN -0.207 nan 8.300 nan 0.000 0.486 648 K N 1.978 122.537 120.400 0.266 0.000 2.062 648 K HA 0.016 4.337 4.320 0.002 0.000 0.205 648 K C 0.101 176.834 176.600 0.223 0.000 1.051 648 K CA 1.191 57.602 56.287 0.206 0.000 0.941 648 K CB 0.179 32.802 32.500 0.206 0.000 0.719 648 K HN 0.816 nan 8.250 nan 0.000 0.440 649 c N -2.828 115.940 118.600 0.281 0.000 3.323 649 c HA 0.923 5.494 4.570 0.002 0.000 0.324 649 c C -0.162 174.158 174.090 0.384 0.000 1.428 649 c CA -0.539 55.980 56.329 0.317 0.000 1.368 649 c CB 1.098 43.731 42.510 0.205 0.000 1.731 649 c HN 0.394 nan 8.230 nan 0.000 0.455 650 G N -0.173 108.923 108.800 0.494 0.000 2.632 650 G HA2 0.666 4.627 3.960 0.002 0.000 0.292 650 G HA3 0.666 4.627 3.960 0.002 0.000 0.292 650 G C -2.011 173.125 174.900 0.392 0.000 1.465 650 G CA -0.663 44.697 45.100 0.432 0.000 0.824 650 G HN 0.974 nan 8.290 nan 0.000 0.509 651 I N 0.963 121.730 120.570 0.329 0.000 2.418 651 I HA 0.603 4.774 4.170 0.002 0.000 0.287 651 I C 0.268 176.503 176.117 0.197 0.000 1.008 651 I CA -0.923 60.454 61.300 0.127 0.000 1.104 651 I CB 2.169 40.233 38.000 0.107 0.000 1.264 651 I HN 0.647 nan 8.210 nan 0.000 0.438 652 A N 6.640 129.475 122.820 0.025 0.000 2.287 652 A HA 0.759 5.080 4.320 0.002 0.000 0.317 652 A C -0.656 176.840 177.584 -0.147 0.000 1.220 652 A CA -0.495 51.561 52.037 0.032 0.000 0.835 652 A CB 0.991 20.077 19.000 0.144 0.000 1.180 652 A HN 0.456 nan 8.150 nan 0.000 0.500 653 V N 2.328 122.099 119.914 -0.239 0.000 2.384 653 V HA 0.553 4.674 4.120 0.002 0.000 0.287 653 V C 0.914 176.596 176.094 -0.686 0.000 1.020 653 V CA 0.370 62.307 62.300 -0.605 0.000 0.850 653 V CB 0.694 31.837 31.823 -1.134 0.000 0.987 653 V HN 2.062 nan 8.190 nan 0.000 0.436 654 A N 5.691 128.114 122.820 -0.661 0.000 2.560 654 A HA -0.103 4.218 4.320 0.002 0.000 0.299 654 A C -1.727 175.724 177.584 -0.222 0.000 1.484 654 A CA 0.544 52.111 52.037 -0.784 0.000 0.749 654 A CB -1.570 17.097 19.000 -0.555 0.000 1.072 654 A HN 0.614 nan 8.150 nan 0.000 0.426 655 P HA 0.471 nan 4.420 nan 0.000 0.279 655 P C 0.075 177.348 177.300 -0.045 0.000 1.252 655 P CA -0.322 62.762 63.100 -0.026 0.000 0.811 655 P CB 1.373 33.077 31.700 0.006 0.000 1.035 656 V N 1.874 121.665 119.914 -0.206 0.000 2.649 656 V HA 0.097 4.219 4.120 0.002 0.000 0.292 656 V C 1.716 177.626 176.094 -0.306 0.000 1.055 656 V CA 0.710 62.755 62.300 -0.424 0.000 1.023 656 V CB 0.792 31.974 31.823 -1.068 0.000 0.992 656 V HN 0.811 nan 8.190 nan 0.000 0.480 657 S N 3.716 119.266 115.700 -0.250 0.000 2.539 657 S HA 0.238 4.709 4.470 0.002 0.000 0.226 657 S C 0.497 174.913 174.600 -0.306 0.000 1.054 657 S CA -0.328 57.782 58.200 -0.151 0.000 0.910 657 S CB 0.275 63.449 63.200 -0.044 0.000 0.818 657 S HN 0.849 nan 8.310 nan 0.000 0.490 658 R N -1.212 118.972 120.500 -0.528 0.000 2.536 658 R HA 0.432 4.774 4.340 0.002 0.000 0.269 658 R C -1.062 174.870 176.300 -0.614 0.000 1.113 658 R CA -0.857 54.864 56.100 -0.632 0.000 0.948 658 R CB -0.244 29.652 30.300 -0.673 0.000 1.237 658 R HN 0.126 nan 8.270 nan 0.000 0.441 659 W N 1.555 122.757 121.300 -0.164 0.000 2.468 659 W HA -0.017 4.644 4.660 0.002 0.000 0.262 659 W C 0.977 177.631 176.519 0.226 0.000 1.241 659 W CA 0.676 58.026 57.345 0.009 0.000 1.232 659 W CB 0.242 29.630 29.460 -0.121 0.000 1.124 659 W HN 0.695 nan 8.180 nan 0.000 0.597 660 E N -1.002 119.358 120.200 0.268 0.000 2.427 660 E HA -0.144 4.207 4.350 0.002 0.000 0.196 660 E C 1.187 177.984 176.600 0.328 0.000 1.028 660 E CA 0.554 57.103 56.400 0.248 0.000 0.864 660 E CB -0.149 29.600 29.700 0.081 0.000 0.813 660 E HN 0.366 nan 8.360 nan 0.000 0.514 661 Y N -1.212 119.188 120.300 0.166 0.000 2.517 661 Y HA 0.047 4.599 4.550 0.002 0.000 0.281 661 Y C 0.709 176.736 175.900 0.211 0.000 1.125 661 Y CA -0.240 57.936 58.100 0.127 0.000 1.283 661 Y CB -0.354 38.127 38.460 0.034 0.000 1.042 661 Y HN 0.008 nan 8.280 nan 0.000 0.547 662 Y N 1.982 122.467 120.300 0.308 0.000 2.432 662 Y HA 0.292 4.843 4.550 0.002 0.000 0.322 662 Y C 0.237 176.381 175.900 0.407 0.000 1.246 662 Y CA -2.265 56.028 58.100 0.322 0.000 1.268 662 Y CB 0.408 39.075 38.460 0.346 0.000 1.276 662 Y HN 0.178 nan 8.280 nan 0.000 0.499 663 D N -0.081 119.996 120.400 -0.539 0.000 2.449 663 D HA 0.021 4.662 4.640 0.002 0.000 0.236 663 D C 0.976 177.242 176.300 -0.055 0.000 1.149 663 D CA 0.576 54.354 54.000 -0.369 0.000 0.878 663 D CB 0.774 41.164 40.800 -0.684 0.000 1.198 663 D HN 0.494 nan 8.370 nan 0.000 0.446 664 S N 1.431 117.125 115.700 -0.010 0.000 2.348 664 S HA -0.226 4.245 4.470 0.002 0.000 0.221 664 S C 1.968 176.587 174.600 0.031 0.000 1.033 664 S CA 1.131 59.373 58.200 0.070 0.000 1.010 664 S CB -1.032 62.220 63.200 0.085 0.000 0.891 664 S HN 0.437 nan 8.310 nan 0.000 0.442 665 V N 0.910 120.781 119.914 -0.071 0.000 2.324 665 V HA -0.214 3.907 4.120 0.002 0.000 0.250 665 V C 2.318 178.302 176.094 -0.183 0.000 1.060 665 V CA 2.407 64.567 62.300 -0.234 0.000 1.042 665 V CB -1.076 30.464 31.823 -0.472 0.000 0.650 665 V HN 0.639 nan 8.190 nan 0.000 0.450 666 Y N 1.083 121.311 120.300 -0.121 0.000 2.176 666 Y HA -0.165 4.386 4.550 0.002 0.000 0.291 666 Y C 2.709 178.594 175.900 -0.025 0.000 1.122 666 Y CA 2.116 60.211 58.100 -0.008 0.000 1.128 666 Y CB -0.551 38.084 38.460 0.292 0.000 1.005 666 Y HN 0.215 nan 8.280 nan 0.000 0.509 667 T N 0.402 115.125 114.554 0.281 0.000 2.652 667 T HA -0.209 4.142 4.350 0.002 0.000 0.267 667 T C 1.575 176.204 174.700 -0.120 0.000 1.039 667 T CA 1.988 64.177 62.100 0.148 0.000 1.153 667 T CB -0.340 68.781 68.868 0.421 0.000 0.863 667 T HN 0.414 nan 8.240 nan 0.000 0.428 668 E N 0.479 120.655 120.200 -0.040 0.000 2.204 668 E HA -0.108 4.243 4.350 0.002 0.000 0.195 668 E C 2.336 178.790 176.600 -0.243 0.000 0.990 668 E CA 0.532 56.905 56.400 -0.046 0.000 0.821 668 E CB -0.121 29.608 29.700 0.048 0.000 0.750 668 E HN 0.318 nan 8.360 nan 0.000 0.477 669 R N -0.191 119.996 120.500 -0.522 0.000 2.105 669 R HA -0.199 4.142 4.340 0.002 0.000 0.239 669 R C 1.207 176.920 176.300 -0.979 0.000 1.135 669 R CA 1.615 57.219 56.100 -0.827 0.000 0.967 669 R CB 0.025 29.522 30.300 -1.339 0.000 0.861 669 R HN 0.241 nan 8.270 nan 0.000 0.442 670 Y N -2.381 117.589 120.300 -0.550 0.000 2.559 670 Y HA 0.207 4.758 4.550 0.002 0.000 0.279 670 Y C 1.775 177.489 175.900 -0.309 0.000 1.117 670 Y CA 0.030 57.815 58.100 -0.524 0.000 1.263 670 Y CB 0.192 38.215 38.460 -0.729 0.000 1.230 670 Y HN -0.071 nan 8.280 nan 0.000 0.528 671 M N 0.093 119.562 119.600 -0.219 0.000 2.502 671 M HA 0.313 4.794 4.480 0.002 0.000 0.243 671 M C 1.076 177.387 176.300 0.019 0.000 1.130 671 M CA 0.850 56.025 55.300 -0.209 0.000 1.055 671 M CB -0.935 31.307 32.600 -0.598 0.000 1.457 671 M HN 0.404 nan 8.290 nan 0.000 0.488 672 G N 1.611 110.436 108.800 0.042 0.000 2.645 672 G HA2 -0.219 3.742 3.960 0.002 0.000 0.239 672 G HA3 -0.219 3.742 3.960 0.002 0.000 0.239 672 G C -0.825 174.212 174.900 0.227 0.000 1.331 672 G CA -0.814 44.352 45.100 0.111 0.000 0.890 672 G HN 0.268 nan 8.290 nan 0.000 0.572 673 L N 2.659 123.984 121.223 0.171 0.000 2.307 673 L HA 0.539 4.880 4.340 0.002 0.000 0.282 673 L C -1.280 175.593 176.870 0.004 0.000 1.051 673 L CA -1.851 53.045 54.840 0.094 0.000 0.804 673 L CB 1.356 43.432 42.059 0.029 0.000 1.197 673 L HN 0.441 nan 8.230 nan 0.000 0.431 674 P HA 0.092 nan 4.420 nan 0.000 0.226 674 P C -0.787 176.358 177.300 -0.260 0.000 1.783 674 P CA -0.150 62.528 63.100 -0.703 0.000 0.980 674 P CB -0.454 30.503 31.700 -1.239 0.000 1.967 675 T N -2.576 111.918 114.554 -0.099 0.000 2.907 675 T HA 0.454 4.805 4.350 0.002 0.000 0.292 675 T C -2.034 172.663 174.700 -0.004 0.000 1.043 675 T CA -2.422 59.650 62.100 -0.046 0.000 1.003 675 T CB 2.026 70.877 68.868 -0.027 0.000 1.084 675 T HN -0.192 nan 8.240 nan 0.000 0.483 676 P HA -0.058 nan 4.420 nan 0.000 0.222 676 P C 0.665 177.979 177.300 0.023 0.000 1.147 676 P CA 1.055 64.165 63.100 0.018 0.000 0.790 676 P CB 0.186 31.893 31.700 0.012 0.000 0.780 677 E N -0.831 119.378 120.200 0.015 0.000 2.358 677 E HA -0.067 4.284 4.350 0.002 0.000 0.195 677 E C 1.536 178.152 176.600 0.026 0.000 1.010 677 E CA 0.701 57.111 56.400 0.017 0.000 0.856 677 E CB -0.298 29.407 29.700 0.008 0.000 0.795 677 E HN 0.297 nan 8.360 nan 0.000 0.504 678 D N -0.479 119.942 120.400 0.036 0.000 2.949 678 D HA 0.095 4.736 4.640 0.002 0.000 0.247 678 D C 0.303 176.657 176.300 0.091 0.000 1.552 678 D CA 0.195 54.228 54.000 0.056 0.000 1.231 678 D CB 0.035 40.869 40.800 0.056 0.000 0.990 678 D HN 0.014 nan 8.370 nan 0.000 0.270 679 N N 0.112 118.899 118.700 0.144 0.000 2.377 679 N HA 0.041 4.782 4.740 0.002 0.000 0.259 679 N C 1.205 176.913 175.510 0.330 0.000 1.332 679 N CA -0.109 53.078 53.050 0.229 0.000 0.877 679 N CB 0.918 39.570 38.487 0.275 0.000 1.299 679 N HN -0.005 nan 8.380 nan 0.000 0.501 680 L N 1.327 122.660 121.223 0.184 0.000 2.012 680 L HA -0.144 4.197 4.340 0.002 0.000 0.210 680 L C 1.304 178.285 176.870 0.185 0.000 1.073 680 L CA 2.120 57.044 54.840 0.139 0.000 0.748 680 L CB -0.543 41.536 42.059 0.033 0.000 0.891 680 L HN 0.119 nan 8.230 nan 0.000 0.431 681 D N -1.419 119.069 120.400 0.146 0.000 2.133 681 D HA -0.277 4.364 4.640 0.002 0.000 0.192 681 D C 2.147 178.545 176.300 0.163 0.000 1.001 681 D CA 1.921 55.999 54.000 0.129 0.000 0.844 681 D CB -0.262 40.603 40.800 0.108 0.000 0.944 681 D HN 0.602 nan 8.370 nan 0.000 0.447 682 H N -1.320 117.820 119.070 0.117 0.000 2.462 682 H HA -0.026 4.531 4.556 0.002 0.000 0.292 682 H C 1.599 177.003 175.328 0.126 0.000 1.049 682 H CA 1.094 57.194 56.048 0.086 0.000 1.334 682 H CB -0.269 29.511 29.762 0.030 0.000 1.404 682 H HN 0.208 nan 8.280 nan 0.000 0.544 683 Y N 0.121 120.412 120.300 -0.014 0.000 2.224 683 Y HA -0.148 4.403 4.550 0.002 0.000 0.289 683 Y C 2.214 178.081 175.900 -0.055 0.000 1.146 683 Y CA 1.254 59.351 58.100 -0.005 0.000 1.182 683 Y CB 0.203 38.694 38.460 0.051 0.000 0.983 683 Y HN 0.115 nan 8.280 nan 0.000 0.524 684 R N -0.395 120.176 120.500 0.118 0.000 2.193 684 R HA -0.028 4.314 4.340 0.002 0.000 0.213 684 R C 1.172 177.467 176.300 -0.009 0.000 1.055 684 R CA 0.739 56.864 56.100 0.041 0.000 0.995 684 R CB -0.622 29.706 30.300 0.047 0.000 0.893 684 R HN 0.359 nan 8.270 nan 0.000 0.459 685 N N 0.008 118.681 118.700 -0.044 0.000 2.424 685 N HA -0.056 4.685 4.740 0.002 0.000 0.178 685 N C 0.299 175.759 175.510 -0.082 0.000 1.060 685 N CA 0.523 53.548 53.050 -0.042 0.000 0.901 685 N CB 0.386 38.887 38.487 0.023 0.000 0.979 685 N HN 0.076 nan 8.380 nan 0.000 0.451 686 S N -0.817 114.786 115.700 -0.162 0.000 2.526 686 S HA 0.178 4.649 4.470 0.002 0.000 0.245 686 S C 0.329 174.956 174.600 0.045 0.000 1.103 686 S CA -0.779 57.388 58.200 -0.056 0.000 1.095 686 S CB -0.613 62.522 63.200 -0.110 0.000 0.826 686 S HN 0.162 nan 8.310 nan 0.000 0.468 687 T N -2.295 112.246 114.554 -0.021 0.000 2.927 687 T HA 0.568 4.919 4.350 0.002 0.000 0.281 687 T C 1.168 175.851 174.700 -0.028 0.000 0.998 687 T CA -0.665 61.404 62.100 -0.052 0.000 1.019 687 T CB 1.298 70.105 68.868 -0.102 0.000 1.061 687 T HN -0.024 nan 8.240 nan 0.000 0.518 688 V N 1.540 121.431 119.914 -0.039 0.000 2.446 688 V HA -0.089 4.032 4.120 0.002 0.000 0.244 688 V C 2.715 178.782 176.094 -0.046 0.000 1.039 688 V CA 1.304 63.581 62.300 -0.038 0.000 1.045 688 V CB -0.716 31.082 31.823 -0.041 0.000 0.681 688 V HN 0.864 nan 8.190 nan 0.000 0.459 689 M N 1.154 120.709 119.600 -0.076 0.000 2.267 689 M HA -0.123 4.358 4.480 0.002 0.000 0.263 689 M C 2.235 178.507 176.300 -0.048 0.000 1.063 689 M CA 2.185 57.435 55.300 -0.083 0.000 1.090 689 M CB -1.942 30.616 32.600 -0.071 0.000 1.392 689 M HN 0.561 nan 8.290 nan 0.000 0.422 690 S N 0.459 116.140 115.700 -0.031 0.000 2.522 690 S HA 0.005 4.476 4.470 0.002 0.000 0.227 690 S C 1.709 176.311 174.600 0.003 0.000 0.986 690 S CA 0.202 58.393 58.200 -0.015 0.000 0.929 690 S CB -0.298 62.893 63.200 -0.015 0.000 0.769 690 S HN 0.607 nan 8.310 nan 0.000 0.529 691 R N 0.409 120.921 120.500 0.021 0.000 2.427 691 R HA 0.491 4.832 4.340 0.002 0.000 0.262 691 R C 2.070 178.460 176.300 0.149 0.000 0.943 691 R CA 0.422 56.555 56.100 0.056 0.000 1.081 691 R CB -0.160 30.162 30.300 0.037 0.000 1.166 691 R HN 0.450 nan 8.270 nan 0.000 0.534 692 A N 1.534 124.402 122.820 0.079 0.000 1.884 692 A HA -0.313 4.008 4.320 0.002 0.000 0.219 692 A C 2.006 179.670 177.584 0.134 0.000 1.197 692 A CA 2.039 54.102 52.037 0.043 0.000 0.637 692 A CB -0.360 18.602 19.000 -0.064 0.000 0.827 692 A HN 0.299 nan 8.150 nan 0.000 0.450 693 E N 0.358 120.606 120.200 0.080 0.000 2.114 693 E HA -0.226 4.125 4.350 0.002 0.000 0.199 693 E C 1.665 178.321 176.600 0.093 0.000 1.008 693 E CA 2.005 58.449 56.400 0.073 0.000 0.810 693 E CB -0.576 29.150 29.700 0.043 0.000 0.739 693 E HN 0.797 nan 8.360 nan 0.000 0.456 694 N N -1.280 117.470 118.700 0.083 0.000 2.443 694 N HA -0.124 4.617 4.740 0.002 0.000 0.184 694 N C 0.861 176.356 175.510 -0.025 0.000 1.037 694 N CA 0.424 53.478 53.050 0.006 0.000 0.896 694 N CB -0.163 38.280 38.487 -0.074 0.000 0.959 694 N HN 0.150 nan 8.380 nan 0.000 0.442 695 F N 1.415 121.319 119.950 -0.077 0.000 2.699 695 F HA 0.038 4.566 4.527 0.002 0.000 0.298 695 F C 1.857 177.656 175.800 -0.002 0.000 1.154 695 F CA 0.615 58.565 58.000 -0.082 0.000 1.457 695 F CB 0.018 38.922 39.000 -0.160 0.000 1.106 695 F HN -0.081 nan 8.300 nan 0.000 0.585 696 K N -0.197 120.301 120.400 0.164 0.000 2.211 696 K HA -0.177 4.144 4.320 0.002 0.000 0.204 696 K C 1.737 178.398 176.600 0.101 0.000 1.047 696 K CA 0.940 57.304 56.287 0.128 0.000 0.935 696 K CB -0.115 32.439 32.500 0.091 0.000 0.728 696 K HN 0.278 nan 8.250 nan 0.000 0.452 697 Q N 0.162 120.000 119.800 0.064 0.000 2.432 697 Q HA 0.006 4.347 4.340 0.002 0.000 0.205 697 Q C 0.981 177.021 176.000 0.067 0.000 0.945 697 Q CA 0.471 56.303 55.803 0.049 0.000 0.924 697 Q CB 0.159 28.906 28.738 0.015 0.000 1.016 697 Q HN 0.233 nan 8.270 nan 0.000 0.503 698 V N -2.659 117.307 119.914 0.087 0.000 3.126 698 V HA 0.526 4.647 4.120 0.002 0.000 0.314 698 V C -0.678 175.559 176.094 0.238 0.000 1.138 698 V CA -1.225 61.154 62.300 0.132 0.000 1.034 698 V CB 2.321 34.181 31.823 0.062 0.000 1.075 698 V HN -0.056 nan 8.190 nan 0.000 0.442 699 E N 1.295 121.669 120.200 0.289 0.000 2.156 699 E HA 0.455 4.806 4.350 0.002 0.000 0.279 699 E C -1.899 175.064 176.600 0.604 0.000 0.965 699 E CA -0.381 56.259 56.400 0.401 0.000 0.789 699 E CB 1.938 31.814 29.700 0.294 0.000 1.098 699 E HN 0.700 nan 8.360 nan 0.000 0.397 700 Y N 3.172 123.728 120.300 0.428 0.000 2.446 700 Y HA 0.436 4.987 4.550 0.002 0.000 0.345 700 Y C -1.537 174.435 175.900 0.120 0.000 0.984 700 Y CA -1.235 57.056 58.100 0.317 0.000 1.058 700 Y CB 1.115 39.793 38.460 0.363 0.000 1.220 700 Y HN 0.435 nan 8.280 nan 0.000 0.455 701 L N 8.063 129.013 121.223 -0.456 0.000 2.342 701 L HA 0.489 4.830 4.340 0.002 0.000 0.276 701 L C -1.732 174.706 176.870 -0.721 0.000 0.997 701 L CA -0.771 53.649 54.840 -0.700 0.000 0.838 701 L CB 1.132 42.450 42.059 -1.235 0.000 1.224 701 L HN 0.690 nan 8.230 nan 0.000 0.416 702 L N 6.432 127.314 121.223 -0.569 0.000 2.287 702 L HA 0.573 4.914 4.340 0.002 0.000 0.287 702 L C -0.837 175.913 176.870 -0.199 0.000 1.022 702 L CA -0.424 54.133 54.840 -0.471 0.000 0.814 702 L CB 1.418 43.254 42.059 -0.372 0.000 1.217 702 L HN 0.601 nan 8.230 nan 0.000 0.420 703 I N 4.088 124.554 120.570 -0.174 0.000 2.608 703 I HA 0.506 4.677 4.170 0.002 0.000 0.295 703 I C -0.913 175.208 176.117 0.006 0.000 1.049 703 I CA -0.787 60.471 61.300 -0.069 0.000 1.063 703 I CB 2.037 39.959 38.000 -0.130 0.000 1.248 703 I HN 0.541 nan 8.210 nan 0.000 0.424 704 H N 2.625 121.760 119.070 0.109 0.000 3.123 704 H HA 0.333 4.890 4.556 0.002 0.000 0.346 704 H C -0.857 174.715 175.328 0.406 0.000 1.138 704 H CA -0.555 55.608 56.048 0.193 0.000 1.273 704 H CB 2.360 32.191 29.762 0.114 0.000 1.926 704 H HN 0.764 nan 8.280 nan 0.000 0.524 705 G N 1.230 110.394 108.800 0.607 0.000 2.370 705 G HA2 0.244 4.205 3.960 0.002 0.000 0.272 705 G HA3 0.244 4.205 3.960 0.002 0.000 0.272 705 G C 1.141 176.345 174.900 0.506 0.000 1.208 705 G CA 0.222 45.633 45.100 0.519 0.000 0.856 705 G HN 0.650 nan 8.290 nan 0.000 0.500 706 T N -0.411 114.290 114.554 0.244 0.000 2.915 706 T HA 0.030 4.381 4.350 0.002 0.000 0.269 706 T C 1.774 176.477 174.700 0.004 0.000 1.071 706 T CA 1.315 63.367 62.100 -0.080 0.000 1.132 706 T CB 0.120 68.869 68.868 -0.198 0.000 0.878 706 T HN 0.676 nan 8.240 nan 0.000 0.479 707 A N 1.072 123.975 122.820 0.138 0.000 2.684 707 A HA 0.304 4.625 4.320 0.002 0.000 0.288 707 A C 0.406 177.984 177.584 -0.011 0.000 1.337 707 A CA -0.501 51.599 52.037 0.105 0.000 0.946 707 A CB -0.369 18.926 19.000 0.492 0.000 1.093 707 A HN 0.375 nan 8.150 nan 0.000 0.543 708 D N 1.448 121.862 120.400 0.023 0.000 2.346 708 D HA 0.003 4.644 4.640 0.002 0.000 0.260 708 D C 0.419 176.677 176.300 -0.071 0.000 1.252 708 D CA 0.123 54.213 54.000 0.149 0.000 0.895 708 D CB 0.721 41.761 40.800 0.399 0.000 1.097 708 D HN 0.564 nan 8.370 nan 0.000 0.489 709 D N 2.446 122.838 120.400 -0.013 0.000 2.333 709 D HA -0.139 4.502 4.640 0.002 0.000 0.208 709 D C 1.021 177.173 176.300 -0.247 0.000 0.984 709 D CA -0.068 53.846 54.000 -0.142 0.000 0.873 709 D CB 0.378 41.035 40.800 -0.237 0.000 0.935 709 D HN 0.231 nan 8.370 nan 0.000 0.521 710 N N 1.030 119.706 118.700 -0.041 0.000 2.255 710 N HA -0.062 4.679 4.740 0.002 0.000 0.192 710 N C -0.008 175.403 175.510 -0.164 0.000 1.049 710 N CA 0.644 53.717 53.050 0.038 0.000 0.886 710 N CB 0.319 38.821 38.487 0.026 0.000 1.064 710 N HN -0.086 nan 8.380 nan 0.000 0.457 711 V N 2.779 122.628 119.914 -0.107 0.000 2.304 711 V HA 0.214 4.335 4.120 0.002 0.000 0.269 711 V C -0.600 175.526 176.094 0.053 0.000 1.036 711 V CA -0.486 61.803 62.300 -0.019 0.000 0.840 711 V CB -0.091 31.790 31.823 0.096 0.000 1.036 711 V HN 0.287 nan 8.190 nan 0.000 0.466 712 H N 3.457 122.520 119.070 -0.012 0.000 2.897 712 H HA 0.015 4.572 4.556 0.002 0.000 0.347 712 H C 0.784 176.002 175.328 -0.182 0.000 1.068 712 H CA -0.110 55.857 56.048 -0.135 0.000 1.426 712 H CB 0.726 30.320 29.762 -0.280 0.000 1.410 712 H HN 0.624 nan 8.280 nan 0.000 0.597 713 F N 2.239 122.013 119.950 -0.294 0.000 2.141 713 F HA -0.350 4.178 4.527 0.002 0.000 0.300 713 F C 2.598 178.128 175.800 -0.450 0.000 1.079 713 F CA 2.046 59.654 58.000 -0.653 0.000 1.264 713 F CB -0.249 38.548 39.000 -0.339 0.000 1.011 713 F HN 0.692 nan 8.300 nan 0.000 0.487 714 Q N 0.114 119.805 119.800 -0.183 0.000 2.182 714 Q HA -0.340 4.001 4.340 0.002 0.000 0.213 714 Q C 2.102 177.906 176.000 -0.326 0.000 1.000 714 Q CA 2.477 58.120 55.803 -0.267 0.000 0.889 714 Q CB -0.420 28.124 28.738 -0.323 0.000 0.932 714 Q HN 0.617 nan 8.270 nan 0.000 0.415 715 Q N -0.465 119.195 119.800 -0.234 0.000 2.135 715 Q HA -0.125 4.216 4.340 0.002 0.000 0.204 715 Q C 2.213 178.133 176.000 -0.134 0.000 0.981 715 Q CA 1.705 57.480 55.803 -0.046 0.000 0.856 715 Q CB -0.037 28.733 28.738 0.055 0.000 0.902 715 Q HN 0.347 nan 8.270 nan 0.000 0.425 716 S N 0.517 116.011 115.700 -0.343 0.000 2.425 716 S HA 0.028 4.499 4.470 0.002 0.000 0.225 716 S C 2.061 176.423 174.600 -0.397 0.000 1.024 716 S CA 0.606 58.603 58.200 -0.340 0.000 0.951 716 S CB -0.058 62.904 63.200 -0.396 0.000 0.796 716 S HN 0.464 nan 8.310 nan 0.000 0.498 717 A N 1.757 124.243 122.820 -0.557 0.000 1.917 717 A HA -0.191 4.130 4.320 0.002 0.000 0.219 717 A C 2.106 179.588 177.584 -0.169 0.000 1.182 717 A CA 1.383 53.214 52.037 -0.344 0.000 0.633 717 A CB -0.524 18.325 19.000 -0.252 0.000 0.819 717 A HN 0.389 nan 8.150 nan 0.000 0.448 718 Q N -0.638 119.082 119.800 -0.134 0.000 2.230 718 Q HA 0.011 4.352 4.340 0.002 0.000 0.202 718 Q C 2.124 178.076 176.000 -0.080 0.000 0.963 718 Q CA 0.938 56.712 55.803 -0.048 0.000 0.866 718 Q CB -0.292 28.496 28.738 0.084 0.000 0.931 718 Q HN 0.796 nan 8.270 nan 0.000 0.452 719 I N 1.040 121.535 120.570 -0.125 0.000 2.202 719 I HA -0.251 3.920 4.170 0.002 0.000 0.242 719 I C 2.514 178.471 176.117 -0.267 0.000 1.091 719 I CA 1.414 62.599 61.300 -0.191 0.000 1.368 719 I CB -0.407 37.488 38.000 -0.175 0.000 1.058 719 I HN 0.177 nan 8.210 nan 0.000 0.410 720 S N 0.883 116.452 115.700 -0.217 0.000 2.382 720 S HA -0.263 4.208 4.470 0.002 0.000 0.228 720 S C 2.011 176.587 174.600 -0.042 0.000 1.027 720 S CA 1.399 59.507 58.200 -0.153 0.000 0.991 720 S CB -0.405 62.869 63.200 0.123 0.000 0.823 720 S HN 0.369 nan 8.310 nan 0.000 0.469 721 K N 1.748 122.121 120.400 -0.045 0.000 2.057 721 K HA 0.069 4.390 4.320 0.002 0.000 0.207 721 K C 2.263 178.844 176.600 -0.033 0.000 1.049 721 K CA 1.156 57.435 56.287 -0.014 0.000 0.931 721 K CB -0.684 31.805 32.500 -0.018 0.000 0.714 721 K HN 0.435 nan 8.250 nan 0.000 0.440 722 A N 0.908 123.680 122.820 -0.080 0.000 1.969 722 A HA -0.066 4.255 4.320 0.002 0.000 0.218 722 A C 2.061 179.581 177.584 -0.106 0.000 1.169 722 A CA 1.107 53.093 52.037 -0.086 0.000 0.635 722 A CB -0.503 18.432 19.000 -0.108 0.000 0.810 722 A HN 0.324 nan 8.150 nan 0.000 0.445 723 L N -0.667 120.443 121.223 -0.187 0.000 2.093 723 L HA -0.122 4.219 4.340 0.002 0.000 0.208 723 L C 2.463 179.346 176.870 0.021 0.000 1.085 723 L CA 0.819 55.547 54.840 -0.187 0.000 0.755 723 L CB -0.446 41.315 42.059 -0.496 0.000 0.904 723 L HN 0.244 nan 8.230 nan 0.000 0.435 724 V N -0.413 119.550 119.914 0.081 0.000 2.358 724 V HA -0.247 3.874 4.120 0.002 0.000 0.246 724 V C 1.882 178.013 176.094 0.061 0.000 1.047 724 V CA 1.699 64.072 62.300 0.121 0.000 1.035 724 V CB -0.476 31.419 31.823 0.120 0.000 0.658 724 V HN 0.410 nan 8.190 nan 0.000 0.452 725 D N -0.440 119.978 120.400 0.030 0.000 2.309 725 D HA -0.088 4.553 4.640 0.002 0.000 0.212 725 D C 1.694 178.006 176.300 0.021 0.000 0.968 725 D CA 0.853 54.865 54.000 0.020 0.000 0.882 725 D CB 0.218 41.023 40.800 0.007 0.000 0.918 725 D HN 0.348 nan 8.370 nan 0.000 0.503 726 V N -0.606 119.321 119.914 0.022 0.000 3.578 726 V HA 0.228 4.349 4.120 0.002 0.000 0.290 726 V C 1.136 177.258 176.094 0.046 0.000 1.376 726 V CA 0.756 63.072 62.300 0.026 0.000 1.083 726 V CB 0.259 32.091 31.823 0.015 0.000 0.911 726 V HN 0.331 nan 8.190 nan 0.000 0.433 727 G N 0.867 109.702 108.800 0.059 0.000 2.225 727 G HA2 -0.189 3.772 3.960 0.002 0.000 0.264 727 G HA3 -0.189 3.772 3.960 0.002 0.000 0.264 727 G C -0.031 174.928 174.900 0.099 0.000 1.060 727 G CA 0.325 45.468 45.100 0.073 0.000 0.833 727 G HN 0.473 nan 8.290 nan 0.000 0.498 728 V N 0.470 120.463 119.914 0.131 0.000 2.394 728 V HA 0.487 4.608 4.120 0.002 0.000 0.282 728 V C 0.336 176.607 176.094 0.294 0.000 1.031 728 V CA -0.526 61.882 62.300 0.179 0.000 0.881 728 V CB 1.768 33.679 31.823 0.147 0.000 0.982 728 V HN 0.441 nan 8.190 nan 0.000 0.451 729 D N 4.043 124.596 120.400 0.254 0.000 2.302 729 D HA 0.612 5.253 4.640 0.002 0.000 0.248 729 D C -0.546 175.993 176.300 0.398 0.000 1.094 729 D CA 0.138 54.280 54.000 0.237 0.000 0.897 729 D CB 0.840 41.714 40.800 0.124 0.000 1.200 729 D HN 0.351 nan 8.370 nan 0.000 0.429 730 F N -0.474 119.547 119.950 0.120 0.000 2.877 730 F HA 0.472 5.000 4.527 0.002 0.000 0.319 730 F C -1.587 174.266 175.800 0.089 0.000 1.174 730 F CA -1.077 57.018 58.000 0.158 0.000 0.903 730 F CB 0.720 39.847 39.000 0.211 0.000 1.357 730 F HN 0.170 nan 8.300 nan 0.000 0.472 731 Q N 1.140 121.026 119.800 0.142 0.000 2.348 731 Q HA 0.845 5.186 4.340 0.002 0.000 0.271 731 Q C -1.080 174.910 176.000 -0.018 0.000 1.067 731 Q CA -1.130 54.644 55.803 -0.048 0.000 0.839 731 Q CB 2.556 31.311 28.738 0.029 0.000 1.354 731 Q HN 1.060 nan 8.270 nan 0.000 0.447 732 A N 1.450 124.225 122.820 -0.075 0.000 2.569 732 A HA 0.867 5.188 4.320 0.002 0.000 0.290 732 A C -1.494 176.039 177.584 -0.085 0.000 1.136 732 A CA -0.576 51.452 52.037 -0.016 0.000 0.710 732 A CB 2.165 21.223 19.000 0.097 0.000 1.303 732 A HN 0.641 nan 8.150 nan 0.000 0.413 733 M N 0.790 120.329 119.600 -0.100 0.000 2.296 733 M HA 0.567 5.048 4.480 0.002 0.000 0.268 733 M C -2.134 174.043 176.300 -0.205 0.000 1.048 733 M CA -0.471 54.627 55.300 -0.337 0.000 0.966 733 M CB 1.038 33.348 32.600 -0.483 0.000 1.912 733 M HN 1.047 nan 8.290 nan 0.000 0.484 734 W N 4.178 125.309 121.300 -0.281 0.000 2.578 734 W HA 0.807 5.468 4.660 0.002 0.000 0.353 734 W C -2.040 174.207 176.519 -0.453 0.000 1.088 734 W CA -0.852 56.417 57.345 -0.127 0.000 1.235 734 W CB 0.510 29.960 29.460 -0.016 0.000 1.362 734 W HN 0.613 nan 8.180 nan 0.000 0.592 735 Y N 2.249 122.695 120.300 0.244 0.000 2.526 735 Y HA 0.279 4.830 4.550 0.002 0.000 0.328 735 Y C 0.768 176.786 175.900 0.197 0.000 0.995 735 Y CA -1.135 57.020 58.100 0.092 0.000 1.304 735 Y CB 1.309 39.797 38.460 0.047 0.000 1.096 735 Y HN 0.632 nan 8.280 nan 0.000 0.499 736 T N 1.911 116.647 114.554 0.304 0.000 2.902 736 T HA 0.060 4.411 4.350 0.002 0.000 0.301 736 T C 0.534 175.312 174.700 0.131 0.000 1.012 736 T CA 0.496 62.701 62.100 0.175 0.000 1.151 736 T CB 0.124 69.010 68.868 0.030 0.000 0.946 736 T HN 0.792 nan 8.240 nan 0.000 0.542 737 D N 1.145 121.613 120.400 0.114 0.000 3.046 737 D HA -0.110 4.531 4.640 0.002 0.000 0.210 737 D C -0.073 176.387 176.300 0.267 0.000 1.124 737 D CA 1.122 55.151 54.000 0.049 0.000 0.986 737 D CB -0.612 40.028 40.800 -0.267 0.000 1.118 737 D HN 0.691 nan 8.370 nan 0.000 0.416 738 E N 0.869 121.233 120.200 0.272 0.000 2.277 738 E HA 0.368 4.719 4.350 0.002 0.000 0.274 738 E C 0.649 177.441 176.600 0.320 0.000 1.022 738 E CA -0.350 56.223 56.400 0.288 0.000 0.853 738 E CB 1.343 31.201 29.700 0.263 0.000 1.086 738 E HN 0.318 nan 8.360 nan 0.000 0.397 739 D N -0.594 120.001 120.400 0.325 0.000 2.560 739 D HA 0.011 4.652 4.640 0.002 0.000 0.277 739 D C 1.090 177.617 176.300 0.379 0.000 1.194 739 D CA -0.241 53.969 54.000 0.350 0.000 1.092 739 D CB -0.134 40.894 40.800 0.379 0.000 1.169 739 D HN 0.417 nan 8.370 nan 0.000 0.607 740 H N -1.511 117.735 119.070 0.292 0.000 2.460 740 H HA 0.026 4.583 4.556 0.002 0.000 0.297 740 H C 1.887 177.447 175.328 0.387 0.000 1.103 740 H CA 2.305 58.547 56.048 0.324 0.000 1.292 740 H CB -0.387 29.545 29.762 0.284 0.000 1.376 740 H HN 0.493 nan 8.280 nan 0.000 0.531 741 G N -0.387 108.570 108.800 0.261 0.000 2.603 741 G HA2 0.024 3.985 3.960 0.002 0.000 0.214 741 G HA3 0.024 3.985 3.960 0.002 0.000 0.214 741 G C 0.596 175.637 174.900 0.234 0.000 1.140 741 G CA 0.297 45.461 45.100 0.106 0.000 0.800 741 G HN 0.514 nan 8.290 nan 0.000 0.533 742 I N 0.131 120.872 120.570 0.285 0.000 6.313 742 I HA -0.316 3.855 4.170 0.002 0.000 0.126 742 I C 1.479 177.712 176.117 0.194 0.000 1.598 742 I CA 0.138 61.566 61.300 0.212 0.000 2.457 742 I CB -1.277 36.836 38.000 0.187 0.000 3.027 742 I HN 0.263 nan 8.210 nan 0.000 0.280 743 A N 1.346 124.255 122.820 0.149 0.000 2.343 743 A HA 0.269 4.590 4.320 0.002 0.000 0.223 743 A C 1.242 178.873 177.584 0.079 0.000 1.214 743 A CA 0.589 52.681 52.037 0.091 0.000 0.900 743 A CB 0.165 19.186 19.000 0.035 0.000 0.942 743 A HN 0.679 nan 8.150 nan 0.000 0.507 744 S N -0.321 115.443 115.700 0.106 0.000 2.560 744 S HA 0.085 4.556 4.470 0.002 0.000 0.276 744 S C 1.221 175.878 174.600 0.096 0.000 1.350 744 S CA 0.395 58.652 58.200 0.096 0.000 1.024 744 S CB 0.851 64.116 63.200 0.108 0.000 0.864 744 S HN 0.447 nan 8.310 nan 0.000 0.536 745 S N 1.565 117.309 115.700 0.075 0.000 2.359 745 S HA -0.173 4.298 4.470 0.002 0.000 0.224 745 S C 2.134 176.801 174.600 0.112 0.000 1.035 745 S CA 2.184 60.433 58.200 0.080 0.000 1.018 745 S CB -1.562 61.667 63.200 0.049 0.000 0.876 745 S HN 1.035 nan 8.310 nan 0.000 0.448 746 T N 0.043 114.653 114.554 0.092 0.000 2.737 746 T HA 0.122 4.473 4.350 0.002 0.000 0.265 746 T C 1.998 176.762 174.700 0.107 0.000 1.038 746 T CA 1.359 63.516 62.100 0.094 0.000 1.144 746 T CB -1.023 67.891 68.868 0.077 0.000 0.866 746 T HN 0.439 nan 8.240 nan 0.000 0.434 747 A N 1.473 124.340 122.820 0.077 0.000 1.933 747 A HA -0.109 4.212 4.320 0.002 0.000 0.218 747 A C 2.206 179.759 177.584 -0.053 0.000 1.175 747 A CA 2.105 54.126 52.037 -0.027 0.000 0.628 747 A CB -1.221 17.735 19.000 -0.073 0.000 0.814 747 A HN 0.787 nan 8.150 nan 0.000 0.444 748 H N -0.144 118.921 119.070 -0.009 0.000 2.293 748 H HA -0.124 4.433 4.556 0.002 0.000 0.300 748 H C 2.095 177.497 175.328 0.123 0.000 1.082 748 H CA 2.331 58.423 56.048 0.073 0.000 1.308 748 H CB -0.269 29.537 29.762 0.074 0.000 1.375 748 H HN 0.567 nan 8.280 nan 0.000 0.495 749 Q N -1.008 118.771 119.800 -0.035 0.000 2.124 749 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 749 Q C 2.194 178.174 176.000 -0.032 0.000 0.977 749 Q CA 1.305 57.051 55.803 -0.096 0.000 0.850 749 Q CB -0.162 28.570 28.738 -0.010 0.000 0.901 749 Q HN 0.627 nan 8.270 nan 0.000 0.429 750 H N 0.832 119.876 119.070 -0.043 0.000 2.326 750 H HA -0.058 4.499 4.556 0.002 0.000 0.301 750 H C 2.006 177.337 175.328 0.005 0.000 1.081 750 H CA 1.267 57.325 56.048 0.018 0.000 1.334 750 H CB -0.047 29.774 29.762 0.099 0.000 1.385 750 H HN 0.281 nan 8.280 nan 0.000 0.504 751 I N 0.122 120.703 120.570 0.018 0.000 2.226 751 I HA -0.326 3.845 4.170 0.002 0.000 0.245 751 I C 1.752 177.670 176.117 -0.332 0.000 1.100 751 I CA 1.299 62.515 61.300 -0.140 0.000 1.374 751 I CB -0.279 37.432 38.000 -0.482 0.000 1.057 751 I HN 0.134 nan 8.210 nan 0.000 0.413 752 Y N 0.815 120.928 120.300 -0.313 0.000 2.373 752 Y HA -0.174 4.377 4.550 0.002 0.000 0.293 752 Y C 2.669 178.395 175.900 -0.290 0.000 1.129 752 Y CA 1.673 59.487 58.100 -0.476 0.000 1.226 752 Y CB -0.668 37.518 38.460 -0.457 0.000 1.000 752 Y HN 0.155 nan 8.280 nan 0.000 0.549 753 T N -1.788 112.707 114.554 -0.099 0.000 2.812 753 T HA -0.198 4.153 4.350 0.002 0.000 0.264 753 T C 1.532 176.133 174.700 -0.164 0.000 1.042 753 T CA 1.727 63.730 62.100 -0.161 0.000 1.140 753 T CB -0.372 68.391 68.868 -0.175 0.000 0.870 753 T HN 0.390 nan 8.240 nan 0.000 0.445 754 H N 0.851 119.824 119.070 -0.162 0.000 2.321 754 H HA 0.120 4.677 4.556 0.002 0.000 0.300 754 H C 2.166 177.503 175.328 0.013 0.000 1.087 754 H CA 1.558 57.588 56.048 -0.031 0.000 1.319 754 H CB -0.234 29.512 29.762 -0.027 0.000 1.379 754 H HN 0.244 nan 8.280 nan 0.000 0.501 755 M N -0.927 118.643 119.600 -0.050 0.000 2.159 755 M HA -0.163 4.318 4.480 0.002 0.000 0.263 755 M C 2.429 178.861 176.300 0.221 0.000 1.063 755 M CA 1.446 56.709 55.300 -0.062 0.000 1.110 755 M CB 0.058 32.346 32.600 -0.519 0.000 1.374 755 M HN 0.182 nan 8.290 nan 0.000 0.411 756 S N -0.669 115.180 115.700 0.248 0.000 2.356 756 S HA -0.158 4.313 4.470 0.002 0.000 0.223 756 S C 1.710 176.412 174.600 0.169 0.000 1.032 756 S CA 1.021 59.441 58.200 0.366 0.000 1.005 756 S CB -0.543 62.852 63.200 0.325 0.000 0.867 756 S HN 0.461 nan 8.310 nan 0.000 0.449 757 H N 0.047 119.182 119.070 0.110 0.000 2.319 757 H HA -0.088 4.469 4.556 0.002 0.000 0.299 757 H C 1.990 177.322 175.328 0.006 0.000 1.092 757 H CA 1.510 57.572 56.048 0.024 0.000 1.302 757 H CB -0.904 28.820 29.762 -0.064 0.000 1.373 757 H HN 0.446 nan 8.280 nan 0.000 0.497 758 F N 1.190 121.136 119.950 -0.007 0.000 2.126 758 F HA -0.201 4.327 4.527 0.002 0.000 0.299 758 F C 2.333 178.093 175.800 -0.067 0.000 1.096 758 F CA 0.991 58.955 58.000 -0.060 0.000 1.255 758 F CB -0.281 38.664 39.000 -0.091 0.000 0.997 758 F HN -0.015 nan 8.300 nan 0.000 0.479 759 I N 0.557 121.128 120.570 0.002 0.000 2.252 759 I HA -0.236 3.935 4.170 0.002 0.000 0.245 759 I C 2.271 178.214 176.117 -0.290 0.000 1.102 759 I CA 1.288 62.434 61.300 -0.256 0.000 1.385 759 I CB -1.167 36.771 38.000 -0.103 0.000 1.064 759 I HN 0.178 nan 8.210 nan 0.000 0.414 760 K N 0.424 120.786 120.400 -0.063 0.000 2.032 760 K HA -0.232 4.089 4.320 0.002 0.000 0.209 760 K C 1.962 178.549 176.600 -0.022 0.000 1.048 760 K CA 1.199 57.495 56.287 0.015 0.000 0.927 760 K CB -0.425 32.132 32.500 0.095 0.000 0.712 760 K HN 0.431 nan 8.250 nan 0.000 0.441 761 Q N 1.117 120.865 119.800 -0.086 0.000 2.079 761 Q HA -0.176 4.165 4.340 0.002 0.000 0.200 761 Q C 2.261 178.160 176.000 -0.168 0.000 0.974 761 Q CA 1.587 57.323 55.803 -0.112 0.000 0.840 761 Q CB -0.362 28.297 28.738 -0.132 0.000 0.898 761 Q HN 0.376 nan 8.270 nan 0.000 0.430 762 c N 0.050 118.440 118.600 -0.349 0.000 2.432 762 c HA -0.037 4.534 4.570 0.002 0.000 0.280 762 c C 2.154 176.243 174.090 -0.002 0.000 1.353 762 c CA 0.285 56.420 56.329 -0.324 0.000 1.766 762 c CB -1.202 40.932 42.510 -0.626 0.000 1.924 762 c HN 0.562 nan 8.230 nan 0.000 0.509 763 F N 0.783 120.689 119.950 -0.074 0.000 2.678 763 F HA 0.327 4.855 4.527 0.001 0.000 0.291 763 F C 1.689 177.473 175.800 -0.028 0.000 1.123 763 F CA 0.018 57.998 58.000 -0.034 0.000 1.395 763 F CB -0.843 38.146 39.000 -0.018 0.000 1.121 763 F HN 0.089 nan 8.300 nan 0.000 0.592 764 S N 0.000 115.793 115.700 0.154 0.000 2.498 764 S HA 0.000 4.471 4.470 0.002 0.000 0.327 764 S CA 0.000 58.250 58.200 0.083 0.000 1.107 764 S CB 0.000 63.239 63.200 0.064 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517