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 2oag_1_A 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 0.000 174.650 174.600 0.084 0.000 1.055 39 S CA 0.000 58.247 58.200 0.079 0.000 1.107 39 S CB 0.000 63.270 63.200 0.117 0.000 0.593 40 R N 1.339 121.883 120.500 0.075 0.000 2.789 40 R HA -0.072 4.267 4.340 -0.002 0.000 0.306 40 R C 0.644 176.995 176.300 0.085 0.000 0.469 40 R CA 1.183 57.329 56.100 0.075 0.000 1.820 40 R CB -0.996 29.349 30.300 0.075 0.000 0.529 40 R HN 0.923 nan 8.270 nan 0.000 0.639 41 K N -0.009 120.447 120.400 0.094 0.000 2.177 41 K HA 0.384 4.703 4.320 -0.002 0.000 0.238 41 K C -0.316 176.354 176.600 0.117 0.000 1.015 41 K CA -0.236 56.114 56.287 0.106 0.000 0.922 41 K CB 1.218 33.788 32.500 0.117 0.000 1.127 41 K HN 0.845 nan 8.250 nan 0.000 0.469 42 T N -2.708 111.925 114.554 0.132 0.000 2.937 42 T HA 0.266 4.615 4.350 -0.002 0.000 0.283 42 T C -0.598 174.235 174.700 0.222 0.000 1.012 42 T CA -0.711 61.480 62.100 0.152 0.000 0.997 42 T CB 0.502 69.452 68.868 0.137 0.000 1.136 42 T HN 0.469 nan 8.240 nan 0.000 0.551 43 Y N 2.656 123.030 120.300 0.123 0.000 2.585 43 Y HA 0.373 4.922 4.550 -0.002 0.000 0.354 43 Y C 0.997 177.063 175.900 0.277 0.000 1.024 43 Y CA -0.403 57.814 58.100 0.195 0.000 1.321 43 Y CB -0.300 38.234 38.460 0.124 0.000 1.151 43 Y HN 1.009 nan 8.280 nan 0.000 0.525 44 T N 2.325 116.871 114.554 -0.013 0.000 2.788 44 T HA 0.102 4.451 4.350 -0.002 0.000 0.280 44 T C 1.027 175.627 174.700 -0.166 0.000 0.984 44 T CA -0.629 61.505 62.100 0.056 0.000 0.972 44 T CB 1.108 69.978 68.868 0.003 0.000 1.039 44 T HN 0.684 nan 8.240 nan 0.000 0.530 45 L N 0.974 121.938 121.223 -0.431 0.000 2.046 45 L HA 0.034 4.373 4.340 -0.002 0.000 0.208 45 L C 2.616 179.345 176.870 -0.235 0.000 1.077 45 L CA 2.143 56.604 54.840 -0.632 0.000 0.747 45 L CB -1.586 39.955 42.059 -0.863 0.000 0.896 45 L HN 0.952 nan 8.230 nan 0.000 0.432 46 T N -0.321 114.115 114.554 -0.196 0.000 2.759 46 T HA -0.169 4.180 4.350 -0.002 0.000 0.269 46 T C 1.495 176.100 174.700 -0.158 0.000 1.042 46 T CA 1.512 63.528 62.100 -0.141 0.000 1.140 46 T CB -0.407 68.399 68.868 -0.104 0.000 0.864 46 T HN 0.427 nan 8.240 nan 0.000 0.455 47 D N 0.113 120.379 120.400 -0.224 0.000 2.123 47 D HA -0.098 4.541 4.640 -0.002 0.000 0.196 47 D C 1.771 177.966 176.300 -0.174 0.000 0.992 47 D CA 1.090 54.916 54.000 -0.289 0.000 0.833 47 D CB -0.361 40.142 40.800 -0.495 0.000 0.954 47 D HN 0.439 nan 8.370 nan 0.000 0.455 48 Y N 1.530 121.659 120.300 -0.284 0.000 2.163 48 Y HA -0.087 4.462 4.550 -0.002 0.000 0.288 48 Y C 2.191 178.101 175.900 0.015 0.000 1.136 48 Y CA 1.190 59.296 58.100 0.010 0.000 1.147 48 Y CB -0.534 37.994 38.460 0.113 0.000 0.987 48 Y HN -0.113 nan 8.280 nan 0.000 0.509 49 L N -0.115 120.939 121.223 -0.281 0.000 2.156 49 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 49 L C 1.849 178.611 176.870 -0.179 0.000 1.095 49 L CA 1.130 55.780 54.840 -0.316 0.000 0.770 49 L CB -0.389 41.560 42.059 -0.182 0.000 0.914 49 L HN 0.045 nan 8.230 nan 0.000 0.439 50 K N -0.097 120.220 120.400 -0.138 0.000 2.374 50 K HA 0.071 4.390 4.320 -0.002 0.000 0.196 50 K C 0.034 176.580 176.600 -0.090 0.000 1.023 50 K CA -0.104 56.123 56.287 -0.100 0.000 1.103 50 K CB -0.301 32.142 32.500 -0.094 0.000 0.848 50 K HN 0.261 nan 8.250 nan 0.000 0.528 51 N N 1.679 120.331 118.700 -0.080 0.000 2.696 51 N HA -0.220 4.519 4.740 -0.002 0.000 0.256 51 N C 0.528 176.010 175.510 -0.047 0.000 1.031 51 N CA 0.414 53.455 53.050 -0.015 0.000 0.730 51 N CB -0.337 38.142 38.487 -0.013 0.000 0.894 51 N HN 0.328 nan 8.380 nan 0.000 0.544 52 T N -2.489 111.978 114.554 -0.146 0.000 2.951 52 T HA -0.113 4.235 4.350 -0.002 0.000 0.268 52 T C 0.482 174.951 174.700 -0.385 0.000 1.073 52 T CA 1.029 62.929 62.100 -0.332 0.000 1.134 52 T CB -0.083 68.447 68.868 -0.563 0.000 0.884 52 T HN 0.351 nan 8.240 nan 0.000 0.479 53 Y N 1.840 122.232 120.300 0.152 0.000 2.721 53 Y HA 0.644 5.193 4.550 -0.002 0.000 0.328 53 Y C 0.365 176.370 175.900 0.175 0.000 1.003 53 Y CA -1.893 56.319 58.100 0.187 0.000 1.275 53 Y CB 0.507 39.141 38.460 0.290 0.000 1.097 53 Y HN -0.004 nan 8.280 nan 0.000 0.514 54 R N 2.515 123.149 120.500 0.223 0.000 2.308 54 R HA 0.451 4.790 4.340 -0.002 0.000 0.305 54 R C -1.038 175.366 176.300 0.174 0.000 1.053 54 R CA -0.220 55.980 56.100 0.167 0.000 0.957 54 R CB 0.400 30.759 30.300 0.098 0.000 1.022 54 R HN 0.698 nan 8.270 nan 0.000 0.461 55 L N 4.749 126.076 121.223 0.173 0.000 2.319 55 L HA 0.292 4.631 4.340 -0.002 0.000 0.280 55 L C 0.289 177.236 176.870 0.128 0.000 1.099 55 L CA -0.109 54.833 54.840 0.170 0.000 0.828 55 L CB 1.041 43.222 42.059 0.204 0.000 1.150 55 L HN 0.528 nan 8.230 nan 0.000 0.442 56 K N 4.423 124.894 120.400 0.117 0.000 2.174 56 K HA 0.597 4.916 4.320 -0.002 0.000 0.275 56 K C -0.677 175.962 176.600 0.065 0.000 1.015 56 K CA -0.422 55.912 56.287 0.078 0.000 0.933 56 K CB 1.239 33.780 32.500 0.069 0.000 1.025 56 K HN 0.416 nan 8.250 nan 0.000 0.463 57 L N 1.207 122.399 121.223 -0.053 0.000 2.267 57 L HA 0.517 4.856 4.340 -0.002 0.000 0.264 57 L C -0.798 175.802 176.870 -0.450 0.000 1.021 57 L CA -1.146 53.515 54.840 -0.299 0.000 0.861 57 L CB 0.641 42.634 42.059 -0.111 0.000 1.443 57 L HN 0.547 nan 8.230 nan 0.000 0.475 58 Y N 0.205 119.980 120.300 -0.875 0.000 2.516 58 Y HA 0.322 4.871 4.550 -0.002 0.000 0.329 58 Y C -0.701 175.038 175.900 -0.269 0.000 1.095 58 Y CA -0.568 57.237 58.100 -0.492 0.000 1.213 58 Y CB 1.001 39.036 38.460 -0.708 0.000 1.109 58 Y HN 0.449 nan 8.280 nan 0.000 0.630 59 S N 5.089 120.712 115.700 -0.129 0.000 2.430 59 S HA 0.481 4.950 4.470 -0.002 0.000 0.282 59 S C -0.478 174.071 174.600 -0.084 0.000 1.186 59 S CA -0.384 57.772 58.200 -0.073 0.000 1.060 59 S CB -0.250 62.907 63.200 -0.072 0.000 0.966 59 S HN 0.536 nan 8.310 nan 0.000 0.501 60 L N 1.263 122.416 121.223 -0.116 0.000 2.303 60 L HA 0.816 5.155 4.340 -0.002 0.000 0.266 60 L C -0.209 176.542 176.870 -0.198 0.000 1.011 60 L CA -0.881 53.836 54.840 -0.205 0.000 0.818 60 L CB 0.919 42.590 42.059 -0.648 0.000 1.326 60 L HN 0.266 nan 8.230 nan 0.000 0.435 61 R N 0.967 121.381 120.500 -0.142 0.000 2.468 61 R HA 0.307 4.646 4.340 -0.002 0.000 0.302 61 R C -1.877 174.438 176.300 0.025 0.000 1.041 61 R CA -0.504 55.575 56.100 -0.036 0.000 0.899 61 R CB 0.919 31.233 30.300 0.022 0.000 1.167 61 R HN 0.864 nan 8.270 nan 0.000 0.483 62 W N 5.388 126.778 121.300 0.151 0.000 2.251 62 W HA 0.097 4.756 4.660 -0.002 0.000 0.327 62 W C 1.808 178.405 176.519 0.129 0.000 1.361 62 W CA -0.328 57.123 57.345 0.177 0.000 1.234 62 W CB 0.519 30.078 29.460 0.166 0.000 1.212 62 W HN 0.581 nan 8.180 nan 0.000 0.557 63 I N 0.189 120.986 120.570 0.378 0.000 4.139 63 I HA 0.291 4.460 4.170 -0.002 0.000 0.335 63 I C 0.715 176.968 176.117 0.226 0.000 1.327 63 I CA -0.071 61.358 61.300 0.214 0.000 1.112 63 I CB -0.041 38.011 38.000 0.086 0.000 1.058 63 I HN 0.282 nan 8.210 nan 0.000 0.396 64 S N -0.284 115.605 115.700 0.315 0.000 2.929 64 S HA 0.317 4.786 4.470 -0.002 0.000 0.311 64 S C -0.185 174.537 174.600 0.203 0.000 1.213 64 S CA -0.094 58.264 58.200 0.263 0.000 0.908 64 S CB 1.523 64.918 63.200 0.325 0.000 1.287 64 S HN 0.084 nan 8.310 nan 0.000 0.594 65 D N -1.081 119.363 120.400 0.073 0.000 2.339 65 D HA 0.274 4.912 4.640 -0.002 0.000 0.217 65 D C 0.750 176.841 176.300 -0.349 0.000 1.050 65 D CA 0.677 54.515 54.000 -0.270 0.000 0.856 65 D CB 0.049 40.581 40.800 -0.446 0.000 0.922 65 D HN 0.615 nan 8.370 nan 0.000 0.518 66 H N -1.708 117.537 119.070 0.291 0.000 3.457 66 H HA 0.442 4.997 4.556 -0.002 0.000 0.255 66 H C -0.087 175.440 175.328 0.333 0.000 1.082 66 H CA -0.263 56.001 56.048 0.360 0.000 1.189 66 H CB 0.571 30.486 29.762 0.255 0.000 1.511 66 H HN -0.012 nan 8.280 nan 0.000 0.527 67 E N 0.735 121.232 120.200 0.496 0.000 2.336 67 E HA 0.428 4.777 4.350 -0.002 0.000 0.267 67 E C -1.401 175.466 176.600 0.446 0.000 0.906 67 E CA -1.317 55.287 56.400 0.341 0.000 0.781 67 E CB 2.856 32.672 29.700 0.194 0.000 1.261 67 E HN 0.220 nan 8.360 nan 0.000 0.436 68 Y N -1.062 119.313 120.300 0.125 0.000 2.562 68 Y HA 0.573 5.122 4.550 -0.002 0.000 0.345 68 Y C -1.713 174.168 175.900 -0.032 0.000 1.045 68 Y CA -1.340 56.700 58.100 -0.101 0.000 1.028 68 Y CB 0.798 38.813 38.460 -0.741 0.000 1.297 68 Y HN 0.346 nan 8.280 nan 0.000 0.463 69 L N 3.730 125.056 121.223 0.171 0.000 2.289 69 L HA 0.359 4.698 4.340 -0.002 0.000 0.285 69 L C -1.287 175.728 176.870 0.242 0.000 1.049 69 L CA -0.884 54.011 54.840 0.090 0.000 0.804 69 L CB 1.146 43.123 42.059 -0.136 0.000 1.195 69 L HN 0.767 nan 8.230 nan 0.000 0.428 70 Y N 4.435 124.823 120.300 0.146 0.000 2.447 70 Y HA 0.330 4.879 4.550 -0.002 0.000 0.325 70 Y C -0.137 175.743 175.900 -0.033 0.000 0.976 70 Y CA -1.106 57.005 58.100 0.018 0.000 1.280 70 Y CB 0.557 39.038 38.460 0.035 0.000 1.104 70 Y HN 0.449 nan 8.280 nan 0.000 0.486 71 K N 4.352 124.462 120.400 -0.483 0.000 2.276 71 K HA 0.223 4.542 4.320 -0.002 0.000 0.259 71 K C -0.366 175.837 176.600 -0.662 0.000 1.001 71 K CA -0.235 55.781 56.287 -0.451 0.000 0.927 71 K CB 0.872 33.171 32.500 -0.335 0.000 0.969 71 K HN 0.715 nan 8.250 nan 0.000 0.490 72 Q N 0.225 119.797 119.800 -0.380 0.000 2.892 72 Q HA 0.113 4.452 4.340 -0.002 0.000 0.307 72 Q C 0.592 176.487 176.000 -0.175 0.000 1.039 72 Q CA -0.779 54.846 55.803 -0.297 0.000 0.792 72 Q CB 1.425 30.065 28.738 -0.163 0.000 1.504 72 Q HN 0.554 nan 8.270 nan 0.000 0.487 73 E N 0.143 120.276 120.200 -0.111 0.000 2.110 73 E HA -0.180 4.169 4.350 -0.002 0.000 0.193 73 E C 0.798 177.375 176.600 -0.038 0.000 0.988 73 E CA 1.208 57.570 56.400 -0.062 0.000 0.804 73 E CB 0.322 29.999 29.700 -0.038 0.000 0.745 73 E HN 0.375 nan 8.360 nan 0.000 0.458 74 N N 0.415 119.090 118.700 -0.041 0.000 2.523 74 N HA -0.022 4.717 4.740 -0.002 0.000 0.209 74 N C 0.383 175.871 175.510 -0.036 0.000 1.039 74 N CA 0.546 53.583 53.050 -0.021 0.000 1.002 74 N CB 0.028 38.506 38.487 -0.016 0.000 1.270 74 N HN 0.150 nan 8.380 nan 0.000 0.481 75 N N 0.078 118.744 118.700 -0.057 0.000 2.381 75 N HA 0.428 5.167 4.740 -0.002 0.000 0.294 75 N C -1.013 174.440 175.510 -0.094 0.000 1.216 75 N CA -0.581 52.427 53.050 -0.070 0.000 0.803 75 N CB 1.416 39.877 38.487 -0.044 0.000 1.372 75 N HN -0.030 nan 8.380 nan 0.000 0.500 76 I N 0.583 121.101 120.570 -0.086 0.000 2.342 76 I HA 0.285 4.454 4.170 -0.002 0.000 0.291 76 I C -0.271 175.870 176.117 0.040 0.000 1.010 76 I CA -0.706 60.555 61.300 -0.065 0.000 1.308 76 I CB 0.552 38.503 38.000 -0.083 0.000 1.400 76 I HN 0.266 nan 8.210 nan 0.000 0.488 77 L N 6.400 127.658 121.223 0.059 0.000 2.322 77 L HA 0.644 4.982 4.340 -0.002 0.000 0.269 77 L C -0.446 176.468 176.870 0.072 0.000 1.012 77 L CA -1.039 53.833 54.840 0.054 0.000 0.815 77 L CB 2.216 44.286 42.059 0.017 0.000 1.295 77 L HN 0.308 nan 8.230 nan 0.000 0.438 78 V N 1.491 121.383 119.914 -0.037 0.000 2.448 78 V HA 0.520 4.639 4.120 -0.002 0.000 0.295 78 V C -1.064 174.888 176.094 -0.238 0.000 1.025 78 V CA -0.228 62.046 62.300 -0.043 0.000 0.859 78 V CB 1.516 33.373 31.823 0.058 0.000 0.988 78 V HN 0.462 nan 8.190 nan 0.000 0.431 79 F N 5.130 124.832 119.950 -0.414 0.000 2.492 79 F HA 0.512 5.038 4.527 -0.002 0.000 0.327 79 F C 0.488 176.022 175.800 -0.442 0.000 1.079 79 F CA -0.526 57.145 58.000 -0.548 0.000 0.967 79 F CB 1.751 40.084 39.000 -1.113 0.000 1.169 79 F HN 0.510 nan 8.300 nan 0.000 0.472 80 N N 1.933 120.591 118.700 -0.070 0.000 2.439 80 N HA 0.252 4.991 4.740 -0.002 0.000 0.249 80 N C 0.420 175.890 175.510 -0.066 0.000 1.003 80 N CA 0.074 53.116 53.050 -0.013 0.000 0.942 80 N CB 1.782 40.312 38.487 0.072 0.000 1.115 80 N HN 0.814 nan 8.380 nan 0.000 0.505 81 A N 3.733 126.479 122.820 -0.123 0.000 1.940 81 A HA -0.202 4.117 4.320 -0.002 0.000 0.219 81 A C 1.904 179.174 177.584 -0.523 0.000 1.176 81 A CA 1.700 53.546 52.037 -0.318 0.000 0.631 81 A CB -0.420 18.236 19.000 -0.573 0.000 0.814 81 A HN 0.815 nan 8.150 nan 0.000 0.446 82 E N -0.959 118.930 120.200 -0.518 0.000 2.031 82 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 82 E C 1.529 177.803 176.600 -0.543 0.000 0.994 82 E CA 1.952 58.030 56.400 -0.536 0.000 0.800 82 E CB -0.386 28.887 29.700 -0.713 0.000 0.752 82 E HN 0.701 nan 8.360 nan 0.000 0.447 83 Y N -1.814 118.481 120.300 -0.009 0.000 2.503 83 Y HA 0.370 4.919 4.550 -0.002 0.000 0.277 83 Y C 1.796 177.695 175.900 -0.003 0.000 1.102 83 Y CA 0.435 58.534 58.100 -0.003 0.000 1.261 83 Y CB 0.594 39.056 38.460 0.003 0.000 1.096 83 Y HN 0.251 nan 8.280 nan 0.000 0.546 84 G N 0.466 109.331 108.800 0.109 0.000 2.194 84 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.236 84 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.236 84 G C 0.049 175.045 174.900 0.160 0.000 0.987 84 G CA 0.035 45.217 45.100 0.137 0.000 0.635 84 G HN 0.444 nan 8.290 nan 0.000 0.520 85 N N 0.949 119.705 118.700 0.092 0.000 2.453 85 N HA 0.479 5.218 4.740 -0.002 0.000 0.253 85 N C 0.158 175.563 175.510 -0.174 0.000 1.252 85 N CA 0.831 53.871 53.050 -0.016 0.000 0.917 85 N CB 1.393 39.877 38.487 -0.004 0.000 1.117 85 N HN 0.929 nan 8.380 nan 0.000 0.442 86 S N -0.117 115.378 115.700 -0.341 0.000 2.704 86 S HA 0.789 5.258 4.470 -0.002 0.000 0.296 86 S C -0.788 173.604 174.600 -0.346 0.000 1.138 86 S CA -0.810 57.025 58.200 -0.608 0.000 0.875 86 S CB 1.633 63.996 63.200 -1.395 0.000 1.151 86 S HN 0.650 nan 8.310 nan 0.000 0.500 87 S N -0.218 115.299 115.700 -0.305 0.000 2.607 87 S HA 0.581 5.050 4.470 -0.002 0.000 0.273 87 S C -1.121 173.410 174.600 -0.115 0.000 1.148 87 S CA -0.767 57.337 58.200 -0.160 0.000 0.833 87 S CB 1.579 64.722 63.200 -0.095 0.000 1.130 87 S HN 0.735 nan 8.310 nan 0.000 0.470 88 V N 2.667 122.538 119.914 -0.072 0.000 2.455 88 V HA 0.215 4.334 4.120 -0.002 0.000 0.273 88 V C 0.478 176.581 176.094 0.015 0.000 1.045 88 V CA 0.088 62.369 62.300 -0.030 0.000 0.976 88 V CB 0.297 32.091 31.823 -0.048 0.000 0.993 88 V HN 0.946 nan 8.190 nan 0.000 0.475 89 F N 6.251 126.155 119.950 -0.077 0.000 2.270 89 F HA 0.230 4.756 4.527 -0.002 0.000 0.295 89 F C 0.542 176.315 175.800 -0.046 0.000 1.087 89 F CA 0.677 58.644 58.000 -0.055 0.000 1.365 89 F CB 0.542 39.517 39.000 -0.042 0.000 1.056 89 F HN 0.377 nan 8.300 nan 0.000 0.506 90 L N -0.277 120.966 121.223 0.033 0.000 2.787 90 L HA 0.411 4.750 4.340 -0.002 0.000 0.260 90 L C -1.125 175.715 176.870 -0.049 0.000 0.921 90 L CA -0.935 53.876 54.840 -0.049 0.000 0.984 90 L CB 0.452 42.512 42.059 0.001 0.000 1.519 90 L HN -0.242 nan 8.230 nan 0.000 0.452 91 E N 2.395 122.541 120.200 -0.090 0.000 2.418 91 E HA 0.160 4.509 4.350 -0.002 0.000 0.261 91 E C 1.444 177.998 176.600 -0.076 0.000 1.070 91 E CA 0.740 57.090 56.400 -0.083 0.000 0.931 91 E CB 0.850 30.493 29.700 -0.095 0.000 0.954 91 E HN 0.744 nan 8.360 nan 0.000 0.439 92 N N 1.051 119.726 118.700 -0.042 0.000 2.120 92 N HA -0.215 4.524 4.740 -0.002 0.000 0.188 92 N C 1.349 176.856 175.510 -0.005 0.000 1.024 92 N CA 1.447 54.497 53.050 0.000 0.000 0.852 92 N CB -0.320 38.169 38.487 0.003 0.000 1.003 92 N HN 0.400 nan 8.380 nan 0.000 0.424 93 S N 0.765 116.437 115.700 -0.046 0.000 2.419 93 S HA -0.131 4.338 4.470 -0.002 0.000 0.235 93 S C 1.865 176.383 174.600 -0.137 0.000 1.019 93 S CA 1.532 59.696 58.200 -0.060 0.000 0.982 93 S CB -1.153 62.011 63.200 -0.061 0.000 0.789 93 S HN 0.323 nan 8.310 nan 0.000 0.490 94 T N 1.545 115.941 114.554 -0.263 0.000 2.736 94 T HA -0.174 4.175 4.350 -0.002 0.000 0.265 94 T C 0.416 174.630 174.700 -0.810 0.000 1.031 94 T CA 1.773 63.514 62.100 -0.598 0.000 1.155 94 T CB -0.574 67.748 68.868 -0.909 0.000 0.849 94 T HN 0.608 nan 8.240 nan 0.000 0.471 95 F N 0.653 120.551 119.950 -0.086 0.000 2.908 95 F HA 0.352 4.878 4.527 -0.002 0.000 0.328 95 F C 1.069 176.879 175.800 0.017 0.000 1.211 95 F CA -1.288 56.677 58.000 -0.058 0.000 1.291 95 F CB 0.143 39.051 39.000 -0.153 0.000 0.962 95 F HN -0.068 nan 8.300 nan 0.000 0.505 96 D N 1.075 121.528 120.400 0.088 0.000 2.123 96 D HA -0.176 4.463 4.640 -0.002 0.000 0.196 96 D C 1.389 177.739 176.300 0.083 0.000 0.992 96 D CA 1.499 55.541 54.000 0.070 0.000 0.833 96 D CB 0.024 40.836 40.800 0.020 0.000 0.954 96 D HN 0.539 nan 8.370 nan 0.000 0.455 97 E N -0.178 120.075 120.200 0.088 0.000 2.511 97 E HA 0.041 4.390 4.350 -0.002 0.000 0.214 97 E C 0.824 177.484 176.600 0.101 0.000 1.062 97 E CA -0.424 56.013 56.400 0.060 0.000 1.213 97 E CB -0.346 29.368 29.700 0.023 0.000 1.214 97 E HN 0.076 nan 8.360 nan 0.000 0.441 98 F N 2.218 122.175 119.950 0.012 0.000 2.293 98 F HA 0.109 4.634 4.527 -0.002 0.000 0.300 98 F C 1.674 177.390 175.800 -0.140 0.000 1.086 98 F CA 1.740 59.735 58.000 -0.009 0.000 1.375 98 F CB -0.022 38.972 39.000 -0.011 0.000 1.045 98 F HN 0.356 nan 8.300 nan 0.000 0.516 99 G N -0.445 108.204 108.800 -0.252 0.000 2.159 99 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.256 99 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.256 99 G C 0.044 174.486 174.900 -0.764 0.000 0.977 99 G CA 0.370 45.170 45.100 -0.500 0.000 0.652 99 G HN 0.579 nan 8.290 nan 0.000 0.531 100 H N -0.716 118.177 119.070 -0.295 0.000 3.012 100 H HA 0.583 5.138 4.556 -0.002 0.000 0.367 100 H C -0.656 174.695 175.328 0.038 0.000 1.211 100 H CA -0.048 55.879 56.048 -0.201 0.000 1.139 100 H CB 1.572 30.982 29.762 -0.587 0.000 1.838 100 H HN 0.162 nan 8.280 nan 0.000 0.550 101 S N 2.076 117.885 115.700 0.181 0.000 2.474 101 S HA 0.333 4.802 4.470 -0.002 0.000 0.276 101 S C 0.152 174.806 174.600 0.090 0.000 1.227 101 S CA -0.663 57.603 58.200 0.110 0.000 1.050 101 S CB -0.508 62.738 63.200 0.077 0.000 0.939 101 S HN 0.358 nan 8.310 nan 0.000 0.490 102 I N 6.268 126.822 120.570 -0.027 0.000 2.312 102 I HA 0.217 4.386 4.170 -0.002 0.000 0.291 102 I C 1.422 177.420 176.117 -0.198 0.000 1.031 102 I CA -0.448 60.733 61.300 -0.198 0.000 1.293 102 I CB 0.814 38.477 38.000 -0.563 0.000 1.403 102 I HN 0.740 nan 8.210 nan 0.000 0.484 103 N N 4.012 122.617 118.700 -0.159 0.000 2.353 103 N HA 0.038 4.777 4.740 -0.002 0.000 0.185 103 N C -0.253 175.163 175.510 -0.157 0.000 1.098 103 N CA 0.200 53.158 53.050 -0.154 0.000 0.872 103 N CB 0.661 39.035 38.487 -0.189 0.000 0.970 103 N HN 0.540 nan 8.380 nan 0.000 0.467 104 D N -0.968 119.304 120.400 -0.214 0.000 2.706 104 D HA 0.329 4.968 4.640 -0.002 0.000 0.227 104 D C -1.729 174.480 176.300 -0.151 0.000 1.233 104 D CA -0.441 53.510 54.000 -0.082 0.000 0.768 104 D CB 1.063 41.858 40.800 -0.009 0.000 1.490 104 D HN -0.092 nan 8.370 nan 0.000 0.458 105 Y N 0.007 120.318 120.300 0.019 0.000 2.598 105 Y HA 0.712 5.260 4.550 -0.002 0.000 0.340 105 Y C 0.178 176.155 175.900 0.127 0.000 1.038 105 Y CA -0.970 57.162 58.100 0.053 0.000 1.100 105 Y CB 2.323 40.804 38.460 0.035 0.000 1.281 105 Y HN 0.161 nan 8.280 nan 0.000 0.488 106 S N 1.551 117.479 115.700 0.381 0.000 2.653 106 S HA 0.528 4.997 4.470 -0.002 0.000 0.268 106 S C -1.484 173.393 174.600 0.462 0.000 1.153 106 S CA -0.470 57.961 58.200 0.386 0.000 1.036 106 S CB -0.077 63.359 63.200 0.393 0.000 1.103 106 S HN 0.561 nan 8.310 nan 0.000 0.466 107 I N 4.588 125.302 120.570 0.240 0.000 2.342 107 I HA 0.264 4.433 4.170 -0.002 0.000 0.291 107 I C 0.962 176.920 176.117 -0.266 0.000 1.010 107 I CA -0.426 60.919 61.300 0.074 0.000 1.308 107 I CB 1.608 39.624 38.000 0.028 0.000 1.400 107 I HN 0.753 nan 8.210 nan 0.000 0.488 108 S N 7.808 123.030 115.700 -0.796 0.000 2.558 108 S HA 0.083 4.552 4.470 -0.002 0.000 0.288 108 S C -1.338 172.976 174.600 -0.476 0.000 1.318 108 S CA -0.953 56.446 58.200 -1.334 0.000 1.056 108 S CB 0.340 62.641 63.200 -1.498 0.000 0.853 108 S HN 0.534 nan 8.310 nan 0.000 0.505 109 P HA -0.132 nan 4.420 nan 0.000 0.222 109 P C 0.625 177.872 177.300 -0.088 0.000 1.142 109 P CA 1.024 64.056 63.100 -0.114 0.000 0.788 109 P CB 0.033 31.695 31.700 -0.064 0.000 0.767 110 D N -0.389 119.933 120.400 -0.130 0.000 2.144 110 D HA -0.047 4.592 4.640 -0.002 0.000 0.200 110 D C 1.922 178.217 176.300 -0.010 0.000 0.978 110 D CA 1.863 55.835 54.000 -0.047 0.000 0.833 110 D CB -0.589 40.231 40.800 0.032 0.000 0.961 110 D HN 0.228 nan 8.370 nan 0.000 0.470 111 G N 0.096 108.887 108.800 -0.015 0.000 2.199 111 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.254 111 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.254 111 G C 1.128 176.066 174.900 0.063 0.000 0.982 111 G CA 0.650 45.820 45.100 0.116 0.000 0.632 111 G HN 0.407 nan 8.290 nan 0.000 0.529 112 Q N -1.175 118.582 119.800 -0.072 0.000 2.187 112 Q HA 0.310 4.649 4.340 -0.002 0.000 0.199 112 Q C 0.409 176.050 176.000 -0.599 0.000 0.957 112 Q CA 0.828 56.432 55.803 -0.331 0.000 0.857 112 Q CB 0.178 28.720 28.738 -0.328 0.000 0.929 112 Q HN 0.568 nan 8.270 nan 0.000 0.453 113 F N -0.687 119.224 119.950 -0.066 0.000 2.593 113 F HA 0.512 5.038 4.527 -0.002 0.000 0.320 113 F C -0.385 175.494 175.800 0.132 0.000 1.060 113 F CA -1.061 56.956 58.000 0.029 0.000 0.940 113 F CB 1.554 40.589 39.000 0.059 0.000 1.268 113 F HN -0.232 nan 8.300 nan 0.000 0.475 114 I N 2.966 123.870 120.570 0.556 0.000 2.447 114 I HA 0.281 4.450 4.170 -0.002 0.000 0.287 114 I C -1.424 175.028 176.117 0.558 0.000 1.023 114 I CA -0.869 60.750 61.300 0.532 0.000 1.083 114 I CB 1.995 40.309 38.000 0.523 0.000 1.245 114 I HN 0.270 nan 8.210 nan 0.000 0.434 115 L N 7.894 129.469 121.223 0.585 0.000 2.265 115 L HA 0.446 4.785 4.340 -0.002 0.000 0.288 115 L C -0.750 176.256 176.870 0.227 0.000 1.058 115 L CA 0.048 55.123 54.840 0.392 0.000 0.809 115 L CB 0.655 42.897 42.059 0.306 0.000 1.179 115 L HN 0.423 nan 8.230 nan 0.000 0.429 116 L N 5.305 126.582 121.223 0.090 0.000 2.265 116 L HA 0.473 4.812 4.340 -0.002 0.000 0.289 116 L C 0.050 176.894 176.870 -0.042 0.000 1.033 116 L CA -0.364 54.377 54.840 -0.165 0.000 0.814 116 L CB 1.346 43.082 42.059 -0.538 0.000 1.203 116 L HN 0.614 nan 8.230 nan 0.000 0.423 117 E N 4.384 124.500 120.200 -0.141 0.000 2.156 117 E HA 0.451 4.800 4.350 -0.002 0.000 0.279 117 E C -1.608 174.894 176.600 -0.164 0.000 0.965 117 E CA -0.505 55.705 56.400 -0.316 0.000 0.789 117 E CB 1.142 30.738 29.700 -0.173 0.000 1.098 117 E HN 0.455 nan 8.360 nan 0.000 0.397 118 Y N 1.642 121.722 120.300 -0.367 0.000 2.689 118 Y HA 0.443 4.992 4.550 -0.002 0.000 0.333 118 Y C -0.291 175.492 175.900 -0.196 0.000 1.190 118 Y CA -1.571 56.406 58.100 -0.204 0.000 1.063 118 Y CB 0.507 38.910 38.460 -0.095 0.000 1.294 118 Y HN 0.543 nan 8.280 nan 0.000 0.466 119 N N -0.595 118.079 118.700 -0.043 0.000 2.747 119 N HA -0.284 4.455 4.740 -0.002 0.000 0.249 119 N C -1.030 174.428 175.510 -0.088 0.000 1.107 119 N CA 0.885 53.870 53.050 -0.108 0.000 0.707 119 N CB -1.779 36.526 38.487 -0.302 0.000 1.054 119 N HN 0.872 nan 8.380 nan 0.000 0.555 120 Y N 0.222 120.439 120.300 -0.139 0.000 2.717 120 Y HA 0.270 4.819 4.550 -0.002 0.000 0.330 120 Y C 0.102 175.961 175.900 -0.068 0.000 1.217 120 Y CA 0.189 58.217 58.100 -0.119 0.000 1.506 120 Y CB 0.680 39.030 38.460 -0.184 0.000 1.268 120 Y HN -0.013 nan 8.280 nan 0.000 0.561 121 V N 8.156 127.652 119.914 -0.697 0.000 2.445 121 V HA 0.167 4.286 4.120 -0.002 0.000 0.283 121 V C -0.329 175.344 176.094 -0.702 0.000 1.014 121 V CA -1.361 60.615 62.300 -0.539 0.000 0.852 121 V CB 1.181 32.850 31.823 -0.255 0.000 1.021 121 V HN 0.773 nan 8.190 nan 0.000 0.435 122 K N 3.636 123.580 120.400 -0.761 0.000 2.414 122 K HA 0.189 4.508 4.320 -0.002 0.000 0.272 122 K C 0.446 176.880 176.600 -0.277 0.000 0.993 122 K CA 0.352 56.398 56.287 -0.400 0.000 0.964 122 K CB 1.235 33.710 32.500 -0.040 0.000 0.925 122 K HN 0.788 nan 8.250 nan 0.000 0.487 123 Q N 2.923 122.552 119.800 -0.284 0.000 2.729 123 Q HA 0.187 4.526 4.340 -0.002 0.000 0.228 123 Q C -0.119 175.632 176.000 -0.415 0.000 1.021 123 Q CA -0.441 54.999 55.803 -0.605 0.000 0.561 123 Q CB 0.111 28.330 28.738 -0.865 0.000 3.921 123 Q HN 0.726 nan 8.270 nan 0.000 0.430 124 W N 0.291 121.603 121.300 0.019 0.000 1.945 124 W HA 0.312 4.971 4.660 -0.002 0.000 0.606 124 W C 1.762 178.282 176.519 0.002 0.000 1.803 124 W CA -0.448 56.937 57.345 0.066 0.000 1.990 124 W CB -0.094 29.382 29.460 0.026 0.000 2.848 124 W HN 0.383 nan 8.180 nan 0.000 0.771 125 R N -0.550 120.067 120.500 0.194 0.000 2.105 125 R HA -0.177 4.162 4.340 -0.002 0.000 0.239 125 R C 1.631 177.784 176.300 -0.246 0.000 1.135 125 R CA 2.119 58.153 56.100 -0.110 0.000 0.967 125 R CB -0.490 29.609 30.300 -0.334 0.000 0.861 125 R HN 0.484 nan 8.270 nan 0.000 0.442 126 H N -1.010 118.150 119.070 0.150 0.000 2.657 126 H HA 0.209 4.764 4.556 -0.002 0.000 0.262 126 H C 0.528 175.974 175.328 0.197 0.000 0.965 126 H CA 0.562 56.722 56.048 0.186 0.000 1.184 126 H CB -0.053 29.794 29.762 0.142 0.000 1.443 126 H HN 0.247 nan 8.280 nan 0.000 0.462 127 S N 1.356 117.077 115.700 0.035 0.000 2.579 127 S HA 0.302 4.771 4.470 -0.002 0.000 0.275 127 S C -0.219 174.260 174.600 -0.202 0.000 1.345 127 S CA -0.300 57.584 58.200 -0.526 0.000 1.031 127 S CB 0.435 62.809 63.200 -1.376 0.000 0.892 127 S HN 0.476 nan 8.310 nan 0.000 0.529 128 Y N -2.470 117.652 120.300 -0.295 0.000 2.765 128 Y HA 0.585 5.134 4.550 -0.002 0.000 0.350 128 Y C -0.904 174.971 175.900 -0.042 0.000 1.196 128 Y CA -0.812 57.150 58.100 -0.230 0.000 1.119 128 Y CB 0.372 38.696 38.460 -0.227 0.000 1.368 128 Y HN 0.932 nan 8.280 nan 0.000 0.463 129 T N 0.121 114.719 114.554 0.073 0.000 2.932 129 T HA 1.029 5.378 4.350 -0.002 0.000 0.289 129 T C -0.471 174.299 174.700 0.116 0.000 1.039 129 T CA -0.110 62.044 62.100 0.089 0.000 1.024 129 T CB 1.794 70.668 68.868 0.011 0.000 1.090 129 T HN 1.949 nan 8.240 nan 0.000 0.496 130 A N 1.012 123.879 122.820 0.078 0.000 2.564 130 A HA 0.783 5.102 4.320 -0.002 0.000 0.291 130 A C -0.658 176.704 177.584 -0.370 0.000 1.102 130 A CA -0.997 50.941 52.037 -0.165 0.000 0.660 130 A CB 1.020 19.911 19.000 -0.183 0.000 1.283 130 A HN 0.864 nan 8.150 nan 0.000 0.430 131 S N -0.615 114.614 115.700 -0.786 0.000 2.549 131 S HA 0.790 5.259 4.470 -0.002 0.000 0.297 131 S C -1.513 172.420 174.600 -1.113 0.000 1.115 131 S CA -0.065 57.602 58.200 -0.888 0.000 1.059 131 S CB 0.664 63.085 63.200 -1.298 0.000 1.046 131 S HN 0.440 nan 8.310 nan 0.000 0.506 132 Y N 0.268 120.344 120.300 -0.373 0.000 2.512 132 Y HA 0.503 5.052 4.550 -0.002 0.000 0.348 132 Y C -0.301 175.621 175.900 0.037 0.000 0.990 132 Y CA -0.924 57.090 58.100 -0.144 0.000 1.033 132 Y CB 1.764 40.089 38.460 -0.225 0.000 1.259 132 Y HN 0.490 nan 8.280 nan 0.000 0.461 133 D N 2.395 122.976 120.400 0.302 0.000 2.738 133 D HA 0.517 5.156 4.640 -0.002 0.000 0.237 133 D C -0.933 175.484 176.300 0.195 0.000 1.123 133 D CA -0.325 53.832 54.000 0.261 0.000 0.856 133 D CB 2.686 43.724 40.800 0.398 0.000 1.552 133 D HN 0.397 nan 8.370 nan 0.000 0.480 134 I N 1.759 122.444 120.570 0.192 0.000 2.412 134 I HA 0.252 4.421 4.170 -0.002 0.000 0.296 134 I C -0.856 175.483 176.117 0.370 0.000 0.987 134 I CA -0.942 60.513 61.300 0.258 0.000 1.180 134 I CB 1.353 39.447 38.000 0.156 0.000 1.340 134 I HN 0.232 nan 8.210 nan 0.000 0.455 135 Y N 5.323 125.813 120.300 0.316 0.000 2.328 135 Y HA 0.285 4.834 4.550 -0.002 0.000 0.337 135 Y C -0.240 175.876 175.900 0.360 0.000 0.966 135 Y CA -0.872 57.422 58.100 0.323 0.000 1.136 135 Y CB 1.081 39.762 38.460 0.369 0.000 1.170 135 Y HN 0.473 nan 8.280 nan 0.000 0.470 136 D N 6.413 126.708 120.400 -0.175 0.000 2.336 136 D HA 0.087 4.726 4.640 -0.002 0.000 0.249 136 D C 0.700 176.669 176.300 -0.552 0.000 1.213 136 D CA 0.320 54.176 54.000 -0.240 0.000 0.870 136 D CB 0.904 41.632 40.800 -0.120 0.000 1.076 136 D HN 0.866 nan 8.370 nan 0.000 0.483 137 L N 3.534 124.510 121.223 -0.412 0.000 2.376 137 L HA -0.085 4.254 4.340 -0.002 0.000 0.219 137 L C 1.911 178.599 176.870 -0.304 0.000 1.133 137 L CA 0.193 54.867 54.840 -0.277 0.000 0.816 137 L CB -0.191 41.760 42.059 -0.179 0.000 0.933 137 L HN 0.345 nan 8.230 nan 0.000 0.449 138 N N 1.540 120.020 118.700 -0.366 0.000 2.085 138 N HA -0.140 4.599 4.740 -0.002 0.000 0.191 138 N C 1.496 176.881 175.510 -0.208 0.000 1.058 138 N CA 1.329 54.218 53.050 -0.267 0.000 0.849 138 N CB -0.259 38.064 38.487 -0.273 0.000 1.038 138 N HN 0.410 nan 8.380 nan 0.000 0.434 139 K N 1.403 121.680 120.400 -0.204 0.000 2.505 139 K HA 0.181 4.500 4.320 -0.002 0.000 0.192 139 K C -0.259 176.232 176.600 -0.181 0.000 1.025 139 K CA -0.033 56.163 56.287 -0.151 0.000 1.086 139 K CB 0.056 32.493 32.500 -0.106 0.000 0.840 139 K HN 0.078 nan 8.250 nan 0.000 0.514 140 R N 0.454 120.786 120.500 -0.281 0.000 3.405 140 R HA -0.212 4.127 4.340 -0.002 0.000 0.258 140 R C -0.765 175.345 176.300 -0.318 0.000 1.030 140 R CA 0.694 56.600 56.100 -0.323 0.000 0.691 140 R CB -2.075 28.169 30.300 -0.093 0.000 1.093 140 R HN 0.437 nan 8.270 nan 0.000 0.448 141 Q N 0.246 119.800 119.800 -0.410 0.000 2.377 141 Q HA 0.560 4.899 4.340 -0.002 0.000 0.271 141 Q C -0.727 175.192 176.000 -0.134 0.000 1.077 141 Q CA -0.738 54.969 55.803 -0.161 0.000 0.820 141 Q CB 1.762 30.459 28.738 -0.068 0.000 1.347 141 Q HN 0.301 nan 8.270 nan 0.000 0.444 142 L N 3.857 125.173 121.223 0.155 0.000 2.281 142 L HA 0.388 4.727 4.340 -0.002 0.000 0.285 142 L C -0.440 176.536 176.870 0.177 0.000 1.074 142 L CA -0.406 54.616 54.840 0.303 0.000 0.817 142 L CB 0.552 42.856 42.059 0.407 0.000 1.168 142 L HN 0.650 nan 8.230 nan 0.000 0.434 143 I N 3.617 124.287 120.570 0.167 0.000 2.517 143 I HA -0.043 4.126 4.170 -0.002 0.000 0.285 143 I C 1.269 177.443 176.117 0.096 0.000 1.106 143 I CA 0.311 61.676 61.300 0.109 0.000 1.402 143 I CB 1.080 39.135 38.000 0.092 0.000 1.399 143 I HN 0.685 nan 8.210 nan 0.000 0.535 144 T N 1.100 115.692 114.554 0.064 0.000 3.010 144 T HA 0.133 4.482 4.350 -0.002 0.000 0.257 144 T C 0.407 175.115 174.700 0.012 0.000 1.020 144 T CA -0.452 61.676 62.100 0.047 0.000 0.938 144 T CB 0.054 68.950 68.868 0.046 0.000 1.049 144 T HN 0.588 nan 8.240 nan 0.000 0.522 145 E N 1.716 121.917 120.200 0.002 0.000 2.214 145 E HA 0.274 4.623 4.350 -0.002 0.000 0.274 145 E C -0.566 176.008 176.600 -0.043 0.000 0.977 145 E CA -0.682 55.706 56.400 -0.020 0.000 0.827 145 E CB 0.820 30.511 29.700 -0.016 0.000 1.130 145 E HN 0.086 nan 8.360 nan 0.000 0.394 146 E N 0.548 120.710 120.200 -0.063 0.000 2.228 146 E HA -0.251 4.098 4.350 -0.002 0.000 0.213 146 E C -0.097 176.434 176.600 -0.115 0.000 1.282 146 E CA 0.890 57.236 56.400 -0.091 0.000 0.707 146 E CB -1.613 28.040 29.700 -0.079 0.000 1.150 146 E HN 0.706 nan 8.360 nan 0.000 0.362 147 R N -0.593 119.834 120.500 -0.122 0.000 2.615 147 R HA 0.526 4.865 4.340 -0.002 0.000 0.270 147 R C 0.821 176.959 176.300 -0.270 0.000 1.081 147 R CA -0.696 55.316 56.100 -0.147 0.000 1.154 147 R CB 0.637 30.886 30.300 -0.084 0.000 1.063 147 R HN 0.044 nan 8.270 nan 0.000 0.519 148 I N 2.762 123.123 120.570 -0.348 0.000 2.683 148 I HA 0.055 4.224 4.170 -0.002 0.000 0.286 148 I C -1.579 174.227 176.117 -0.519 0.000 1.175 148 I CA -1.755 59.168 61.300 -0.629 0.000 1.429 148 I CB 0.399 38.000 38.000 -0.664 0.000 1.371 148 I HN 0.550 nan 8.210 nan 0.000 0.569 149 P HA 0.062 nan 4.420 nan 0.000 0.270 149 P C -0.856 176.236 177.300 -0.348 0.000 1.223 149 P CA -0.286 62.429 63.100 -0.641 0.000 0.785 149 P CB 0.406 31.302 31.700 -1.340 0.000 0.923 150 N N 1.920 120.501 118.700 -0.198 0.000 2.399 150 N HA 0.036 4.775 4.740 -0.002 0.000 0.250 150 N C 0.661 176.234 175.510 0.104 0.000 1.272 150 N CA 0.076 53.075 53.050 -0.086 0.000 0.928 150 N CB -0.368 38.073 38.487 -0.076 0.000 1.158 150 N HN 0.425 nan 8.380 nan 0.000 0.463 151 N N -1.309 117.433 118.700 0.070 0.000 2.776 151 N HA -0.154 4.585 4.740 -0.002 0.000 0.250 151 N C -0.820 174.846 175.510 0.260 0.000 1.112 151 N CA 0.721 53.853 53.050 0.136 0.000 0.733 151 N CB -1.734 36.846 38.487 0.155 0.000 1.097 151 N HN 0.480 nan 8.380 nan 0.000 0.558 152 T N 0.951 115.662 114.554 0.261 0.000 2.901 152 T HA 0.094 4.443 4.350 -0.002 0.000 0.301 152 T C 1.734 176.583 174.700 0.248 0.000 1.012 152 T CA 0.127 62.410 62.100 0.305 0.000 1.135 152 T CB 1.096 70.051 68.868 0.145 0.000 0.936 152 T HN 0.166 nan 8.240 nan 0.000 0.539 153 Q N 1.782 121.724 119.800 0.236 0.000 2.269 153 Q HA 0.138 4.477 4.340 -0.002 0.000 0.201 153 Q C 0.217 176.381 176.000 0.273 0.000 0.946 153 Q CA 0.482 56.439 55.803 0.257 0.000 0.877 153 Q CB 0.700 29.557 28.738 0.198 0.000 0.963 153 Q HN 0.707 nan 8.270 nan 0.000 0.472 154 W N -0.323 120.938 121.300 -0.065 0.000 3.419 154 W HA 0.449 5.108 4.660 -0.002 0.000 0.298 154 W C -2.352 174.071 176.519 -0.160 0.000 1.260 154 W CA -0.609 56.649 57.345 -0.145 0.000 1.199 154 W CB 1.171 30.488 29.460 -0.238 0.000 1.349 154 W HN -0.354 nan 8.180 nan 0.000 0.557 155 V N 3.122 122.332 119.914 -1.173 0.000 2.932 155 V HA 0.675 4.794 4.120 -0.002 0.000 0.307 155 V C -0.540 174.903 176.094 -1.085 0.000 1.147 155 V CA -0.614 61.121 62.300 -0.942 0.000 0.951 155 V CB 1.754 32.934 31.823 -1.073 0.000 1.031 155 V HN 0.510 nan 8.190 nan 0.000 0.426 156 T N 2.687 116.928 114.554 -0.521 0.000 3.041 156 T HA 0.534 4.883 4.350 -0.002 0.000 0.321 156 T C -1.493 173.224 174.700 0.029 0.000 1.184 156 T CA -0.292 61.694 62.100 -0.189 0.000 1.050 156 T CB 0.830 69.823 68.868 0.208 0.000 1.159 156 T HN 0.515 nan 8.240 nan 0.000 0.469 157 W N 3.057 124.386 121.300 0.048 0.000 2.129 157 W HA 0.480 5.138 4.660 -0.002 0.000 0.349 157 W C 1.293 177.656 176.519 -0.260 0.000 1.279 157 W CA -0.533 56.789 57.345 -0.038 0.000 1.306 157 W CB 0.628 30.071 29.460 -0.029 0.000 1.140 157 W HN 0.801 nan 8.180 nan 0.000 0.613 158 S N 0.897 116.358 115.700 -0.399 0.000 2.608 158 S HA 0.176 4.645 4.470 -0.002 0.000 0.261 158 S C -1.871 172.463 174.600 -0.444 0.000 1.314 158 S CA -0.939 56.502 58.200 -1.265 0.000 0.992 158 S CB 0.733 63.105 63.200 -1.380 0.000 0.935 158 S HN 0.263 nan 8.310 nan 0.000 0.564 159 P HA -0.050 nan 4.420 nan 0.000 0.218 159 P C 1.380 178.631 177.300 -0.082 0.000 1.149 159 P CA 1.174 64.224 63.100 -0.082 0.000 0.817 159 P CB -0.111 31.576 31.700 -0.021 0.000 0.785 160 V N -4.972 114.853 119.914 -0.148 0.000 3.097 160 V HA 0.429 4.548 4.120 -0.002 0.000 0.223 160 V C 1.798 177.802 176.094 -0.150 0.000 1.199 160 V CA 0.854 63.085 62.300 -0.115 0.000 1.260 160 V CB -1.455 30.309 31.823 -0.097 0.000 1.155 160 V HN 0.039 nan 8.190 nan 0.000 0.509 161 G N 1.723 110.396 108.800 -0.211 0.000 2.611 161 G HA2 0.014 3.973 3.960 -0.002 0.000 0.147 161 G HA3 0.014 3.973 3.960 -0.002 0.000 0.147 161 G C 0.804 175.574 174.900 -0.216 0.000 1.798 161 G CA 1.053 45.978 45.100 -0.292 0.000 0.973 161 G HN 1.089 nan 8.290 nan 0.000 0.416 162 H N -1.571 117.501 119.070 0.004 0.000 3.043 162 H HA 0.375 4.930 4.556 -0.002 0.000 0.244 162 H C -0.189 175.325 175.328 0.311 0.000 1.199 162 H CA -0.553 55.555 56.048 0.101 0.000 0.956 162 H CB -0.108 29.732 29.762 0.130 0.000 2.305 162 H HN 0.179 nan 8.280 nan 0.000 0.665 163 K N 1.764 122.313 120.400 0.248 0.000 2.319 163 K HA 0.386 4.705 4.320 -0.002 0.000 0.265 163 K C -0.444 176.283 176.600 0.212 0.000 1.000 163 K CA -0.146 56.239 56.287 0.165 0.000 0.943 163 K CB 1.555 33.984 32.500 -0.117 0.000 0.950 163 K HN 0.146 nan 8.250 nan 0.000 0.485 164 L N 0.953 122.292 121.223 0.192 0.000 2.381 164 L HA 0.568 4.906 4.340 -0.002 0.000 0.268 164 L C -0.985 176.057 176.870 0.286 0.000 0.997 164 L CA -0.835 54.054 54.840 0.082 0.000 0.818 164 L CB 2.142 44.089 42.059 -0.186 0.000 1.310 164 L HN 0.714 nan 8.230 nan 0.000 0.416 165 A N 2.725 125.709 122.820 0.273 0.000 2.359 165 A HA 0.783 5.102 4.320 -0.002 0.000 0.303 165 A C -1.585 176.029 177.584 0.051 0.000 1.066 165 A CA -0.372 51.745 52.037 0.132 0.000 0.730 165 A CB 1.082 20.114 19.000 0.054 0.000 1.211 165 A HN 0.640 nan 8.150 nan 0.000 0.439 166 Y N -0.298 119.958 120.300 -0.073 0.000 2.615 166 Y HA 0.801 5.350 4.550 -0.002 0.000 0.341 166 Y C -1.174 174.739 175.900 0.021 0.000 1.089 166 Y CA -1.652 56.385 58.100 -0.105 0.000 1.049 166 Y CB 1.226 39.556 38.460 -0.217 0.000 1.296 166 Y HN 0.379 nan 8.280 nan 0.000 0.470 167 V N 1.911 121.966 119.914 0.235 0.000 2.448 167 V HA 0.355 4.474 4.120 -0.002 0.000 0.295 167 V C -1.492 174.817 176.094 0.359 0.000 1.025 167 V CA -0.641 61.765 62.300 0.177 0.000 0.859 167 V CB 1.291 33.126 31.823 0.020 0.000 0.988 167 V HN 0.873 nan 8.190 nan 0.000 0.431 168 W N 5.044 126.445 121.300 0.170 0.000 3.042 168 W HA 0.475 5.134 4.660 -0.002 0.000 0.337 168 W C 0.315 176.887 176.519 0.087 0.000 1.086 168 W CA -0.686 56.729 57.345 0.117 0.000 1.236 168 W CB 1.245 30.745 29.460 0.067 0.000 1.381 168 W HN 0.790 nan 8.180 nan 0.000 0.472 169 N N 5.590 123.897 118.700 -0.655 0.000 2.735 169 N HA -0.344 4.395 4.740 -0.002 0.000 0.248 169 N C 0.112 175.436 175.510 -0.311 0.000 1.083 169 N CA 1.046 53.704 53.050 -0.653 0.000 0.703 169 N CB -1.122 36.723 38.487 -1.069 0.000 1.005 169 N HN 0.873 nan 8.380 nan 0.000 0.550 170 N N -1.706 116.881 118.700 -0.189 0.000 2.828 170 N HA -0.165 4.574 4.740 -0.002 0.000 0.248 170 N C -1.265 174.152 175.510 -0.154 0.000 1.044 170 N CA 1.083 54.042 53.050 -0.153 0.000 0.851 170 N CB -0.380 37.974 38.487 -0.221 0.000 1.136 170 N HN 0.433 nan 8.380 nan 0.000 0.572 171 D N 0.460 120.782 120.400 -0.129 0.000 2.350 171 D HA 0.512 5.150 4.640 -0.002 0.000 0.238 171 D C 0.216 176.326 176.300 -0.316 0.000 0.989 171 D CA -0.362 53.475 54.000 -0.271 0.000 0.921 171 D CB 1.668 42.260 40.800 -0.345 0.000 1.297 171 D HN 0.016 nan 8.370 nan 0.000 0.490 172 I N 1.323 121.526 120.570 -0.611 0.000 2.428 172 I HA 0.276 4.445 4.170 -0.002 0.000 0.296 172 I C -0.805 174.772 176.117 -0.899 0.000 0.985 172 I CA -0.564 60.361 61.300 -0.624 0.000 1.260 172 I CB 0.702 38.261 38.000 -0.735 0.000 1.389 172 I HN 0.158 nan 8.210 nan 0.000 0.484 173 Y N 3.953 123.854 120.300 -0.666 0.000 2.442 173 Y HA 0.555 5.104 4.550 -0.002 0.000 0.344 173 Y C -0.330 175.220 175.900 -0.584 0.000 0.976 173 Y CA -0.864 56.799 58.100 -0.729 0.000 1.040 173 Y CB 2.070 39.796 38.460 -1.222 0.000 1.228 173 Y HN 0.125 nan 8.280 nan 0.000 0.451 174 V N 3.196 123.036 119.914 -0.123 0.000 2.628 174 V HA 0.487 4.606 4.120 -0.002 0.000 0.306 174 V C -0.702 175.517 176.094 0.209 0.000 1.045 174 V CA -1.261 61.070 62.300 0.053 0.000 0.905 174 V CB 2.028 33.893 31.823 0.071 0.000 0.997 174 V HN 0.619 nan 8.190 nan 0.000 0.436 175 K N 3.078 123.615 120.400 0.229 0.000 2.535 175 K HA 0.511 4.830 4.320 -0.002 0.000 0.253 175 K C 0.309 177.043 176.600 0.223 0.000 0.953 175 K CA -0.534 55.880 56.287 0.211 0.000 0.863 175 K CB 1.533 34.114 32.500 0.135 0.000 1.111 175 K HN 0.549 nan 8.250 nan 0.000 0.431 176 I N 1.730 122.459 120.570 0.265 0.000 2.439 176 I HA -0.137 4.032 4.170 -0.002 0.000 0.251 176 I C 0.336 176.577 176.117 0.207 0.000 1.139 176 I CA 1.231 62.668 61.300 0.228 0.000 1.438 176 I CB 0.291 38.429 38.000 0.230 0.000 1.085 176 I HN 0.450 nan 8.210 nan 0.000 0.427 177 E N -0.797 119.478 120.200 0.125 0.000 2.272 177 E HA 0.247 4.596 4.350 -0.002 0.000 0.269 177 E C -1.935 174.601 176.600 -0.107 0.000 0.877 177 E CA -1.898 54.503 56.400 0.001 0.000 0.755 177 E CB 1.436 31.149 29.700 0.021 0.000 1.192 177 E HN -0.236 nan 8.360 nan 0.000 0.422 178 P HA -0.214 nan 4.420 nan 0.000 0.218 178 P C 0.855 178.057 177.300 -0.162 0.000 1.152 178 P CA 1.547 64.462 63.100 -0.308 0.000 0.857 178 P CB 0.300 31.595 31.700 -0.675 0.000 0.787 179 N N -1.771 116.857 118.700 -0.120 0.000 2.280 179 N HA 0.009 4.748 4.740 -0.002 0.000 0.192 179 N C 0.206 175.690 175.510 -0.044 0.000 1.109 179 N CA 0.287 53.304 53.050 -0.055 0.000 0.855 179 N CB -0.393 38.083 38.487 -0.019 0.000 0.974 179 N HN 0.083 nan 8.380 nan 0.000 0.482 180 L N 1.385 122.583 121.223 -0.042 0.000 2.421 180 L HA 0.493 4.832 4.340 -0.002 0.000 0.263 180 L C -2.015 174.816 176.870 -0.066 0.000 1.122 180 L CA -2.046 52.772 54.840 -0.037 0.000 0.804 180 L CB 0.346 42.404 42.059 -0.002 0.000 1.150 180 L HN -0.088 nan 8.230 nan 0.000 0.457 181 P HA 0.077 nan 4.420 nan 0.000 0.269 181 P C -0.723 176.460 177.300 -0.195 0.000 1.217 181 P CA 0.007 63.020 63.100 -0.145 0.000 0.783 181 P CB 0.512 32.110 31.700 -0.169 0.000 0.898 182 S N 0.606 116.228 115.700 -0.130 0.000 2.617 182 S HA 0.347 4.816 4.470 -0.002 0.000 0.269 182 S C -0.717 173.794 174.600 -0.149 0.000 1.292 182 S CA -0.037 58.131 58.200 -0.053 0.000 1.010 182 S CB -0.043 63.209 63.200 0.087 0.000 0.944 182 S HN 0.219 nan 8.310 nan 0.000 0.536 183 Y N 1.418 121.745 120.300 0.045 0.000 2.342 183 Y HA 0.367 4.916 4.550 -0.002 0.000 0.338 183 Y C 0.780 176.604 175.900 -0.127 0.000 0.965 183 Y CA -0.529 57.571 58.100 0.001 0.000 1.159 183 Y CB 0.746 39.204 38.460 -0.003 0.000 1.157 183 Y HN 0.428 nan 8.280 nan 0.000 0.486 184 R N 3.705 124.165 120.500 -0.068 0.000 2.389 184 R HA 0.201 4.540 4.340 -0.002 0.000 0.295 184 R C 0.177 176.190 176.300 -0.478 0.000 1.075 184 R CA 0.141 55.872 56.100 -0.614 0.000 1.005 184 R CB 0.596 30.324 30.300 -0.953 0.000 0.987 184 R HN 0.749 nan 8.270 nan 0.000 0.452 185 I N 1.053 121.212 120.570 -0.685 0.000 3.616 185 I HA 0.031 4.200 4.170 -0.002 0.000 0.296 185 I C 1.124 176.964 176.117 -0.462 0.000 1.226 185 I CA 0.791 61.829 61.300 -0.437 0.000 1.394 185 I CB -0.019 37.690 38.000 -0.486 0.000 1.171 185 I HN 0.456 nan 8.210 nan 0.000 0.442 186 T N -1.379 112.704 114.554 -0.786 0.000 2.906 186 T HA 0.387 4.736 4.350 -0.002 0.000 0.295 186 T C -1.175 173.002 174.700 -0.871 0.000 1.075 186 T CA -0.265 61.480 62.100 -0.592 0.000 1.005 186 T CB 1.321 69.892 68.868 -0.495 0.000 1.136 186 T HN 0.144 nan 8.240 nan 0.000 0.498 187 W N 0.535 121.723 121.300 -0.187 0.000 2.324 187 W HA 0.209 4.868 4.660 -0.002 0.000 0.316 187 W C 2.016 178.478 176.519 -0.095 0.000 0.927 187 W CA 0.078 57.350 57.345 -0.121 0.000 1.438 187 W CB -0.278 29.131 29.460 -0.085 0.000 1.085 187 W HN 0.766 nan 8.180 nan 0.000 0.532 188 T N -2.025 112.565 114.554 0.061 0.000 3.113 188 T HA 0.227 4.576 4.350 -0.002 0.000 0.256 188 T C 1.328 176.012 174.700 -0.027 0.000 1.131 188 T CA 0.373 62.490 62.100 0.028 0.000 1.074 188 T CB -0.412 68.469 68.868 0.020 0.000 0.944 188 T HN 0.041 nan 8.240 nan 0.000 0.516 189 G N 1.386 110.136 108.800 -0.082 0.000 2.178 189 G HA2 0.280 4.239 3.960 -0.002 0.000 0.244 189 G HA3 0.280 4.239 3.960 -0.002 0.000 0.244 189 G C -0.509 174.319 174.900 -0.119 0.000 1.213 189 G CA -0.333 44.693 45.100 -0.123 0.000 0.912 189 G HN 0.622 nan 8.290 nan 0.000 0.474 190 K N 2.100 122.406 120.400 -0.156 0.000 2.619 190 K HA 0.189 4.508 4.320 -0.002 0.000 0.251 190 K C -0.073 176.396 176.600 -0.218 0.000 0.987 190 K CA -0.661 55.538 56.287 -0.145 0.000 0.844 190 K CB 1.259 33.712 32.500 -0.078 0.000 1.237 190 K HN 0.609 nan 8.250 nan 0.000 0.447 191 E N 3.507 123.587 120.200 -0.200 0.000 2.765 191 E HA -0.179 4.170 4.350 -0.002 0.000 0.256 191 E C -0.530 175.979 176.600 -0.151 0.000 0.935 191 E CA 1.177 57.459 56.400 -0.196 0.000 0.954 191 E CB 0.237 29.863 29.700 -0.125 0.000 0.908 191 E HN 0.695 nan 8.360 nan 0.000 0.500 192 D N 2.571 122.870 120.400 -0.168 0.000 3.059 192 D HA -0.241 4.398 4.640 -0.002 0.000 0.213 192 D C 0.543 176.900 176.300 0.094 0.000 1.144 192 D CA 1.263 55.300 54.000 0.061 0.000 0.975 192 D CB -0.434 40.427 40.800 0.103 0.000 1.125 192 D HN 0.430 nan 8.370 nan 0.000 0.412 193 I N -0.644 119.885 120.570 -0.068 0.000 3.746 193 I HA 0.208 4.376 4.170 -0.002 0.000 0.262 193 I C 0.929 177.110 176.117 0.105 0.000 1.153 193 I CA 0.466 61.805 61.300 0.064 0.000 1.395 193 I CB 0.424 38.438 38.000 0.024 0.000 1.589 193 I HN -0.119 nan 8.210 nan 0.000 0.441 194 I N 1.146 121.672 120.570 -0.073 0.000 2.418 194 I HA 0.245 4.414 4.170 -0.002 0.000 0.287 194 I C -1.481 174.581 176.117 -0.092 0.000 1.008 194 I CA -0.624 60.702 61.300 0.043 0.000 1.104 194 I CB 1.850 39.869 38.000 0.032 0.000 1.264 194 I HN -0.039 nan 8.210 nan 0.000 0.438 195 Y N 4.777 125.158 120.300 0.134 0.000 2.328 195 Y HA 0.404 4.953 4.550 -0.002 0.000 0.337 195 Y C 0.135 176.071 175.900 0.060 0.000 0.966 195 Y CA -1.059 57.115 58.100 0.123 0.000 1.136 195 Y CB 0.928 39.540 38.460 0.253 0.000 1.170 195 Y HN 0.416 nan 8.280 nan 0.000 0.470 196 N N 2.077 120.815 118.700 0.064 0.000 2.446 196 N HA 0.357 5.096 4.740 -0.002 0.000 0.265 196 N C 0.821 176.243 175.510 -0.146 0.000 0.975 196 N CA 0.424 53.438 53.050 -0.060 0.000 0.928 196 N CB 1.880 40.236 38.487 -0.218 0.000 1.160 196 N HN 0.982 nan 8.380 nan 0.000 0.495 197 G N 1.610 110.338 108.800 -0.121 0.000 2.205 197 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.261 197 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.261 197 G C 0.140 174.862 174.900 -0.296 0.000 0.980 197 G CA 0.737 45.692 45.100 -0.241 0.000 0.632 197 G HN 0.654 nan 8.290 nan 0.000 0.533 198 I N -1.639 118.833 120.570 -0.164 0.000 2.934 198 I HA 0.799 4.968 4.170 -0.002 0.000 0.306 198 I C 0.316 176.473 176.117 0.066 0.000 1.110 198 I CA -0.646 60.475 61.300 -0.297 0.000 1.019 198 I CB 1.990 39.624 38.000 -0.610 0.000 1.227 198 I HN 0.167 nan 8.210 nan 0.000 0.434 199 T N -0.392 114.140 114.554 -0.037 0.000 2.899 199 T HA 0.368 4.717 4.350 -0.002 0.000 0.284 199 T C -0.190 174.355 174.700 -0.259 0.000 1.004 199 T CA -0.653 61.320 62.100 -0.211 0.000 1.043 199 T CB 1.288 70.089 68.868 -0.112 0.000 1.013 199 T HN 0.757 nan 8.240 nan 0.000 0.518 200 D N 0.208 120.209 120.400 -0.665 0.000 2.478 200 D HA 0.044 4.683 4.640 -0.002 0.000 0.269 200 D C 0.968 177.190 176.300 -0.130 0.000 1.232 200 D CA -1.124 52.464 54.000 -0.687 0.000 1.059 200 D CB 0.099 40.426 40.800 -0.788 0.000 1.104 200 D HN 0.703 nan 8.370 nan 0.000 0.566 201 W N 0.198 121.434 121.300 -0.107 0.000 2.317 201 W HA -0.238 4.421 4.660 -0.002 0.000 0.318 201 W C 2.171 178.579 176.519 -0.185 0.000 1.227 201 W CA 2.536 59.806 57.345 -0.127 0.000 1.269 201 W CB -0.484 28.829 29.460 -0.245 0.000 1.155 201 W HN 0.193 nan 8.180 nan 0.000 0.484 202 V N -0.183 119.780 119.914 0.082 0.000 2.427 202 V HA -0.289 3.830 4.120 -0.002 0.000 0.248 202 V C 1.891 177.794 176.094 -0.319 0.000 1.051 202 V CA 2.033 64.252 62.300 -0.134 0.000 1.048 202 V CB -0.752 31.019 31.823 -0.087 0.000 0.666 202 V HN 0.307 nan 8.190 nan 0.000 0.456 203 Y N 0.649 120.754 120.300 -0.325 0.000 2.242 203 Y HA -0.169 4.380 4.550 -0.002 0.000 0.291 203 Y C 2.596 178.383 175.900 -0.188 0.000 1.137 203 Y CA 2.123 60.039 58.100 -0.307 0.000 1.181 203 Y CB -0.062 38.079 38.460 -0.532 0.000 0.989 203 Y HN 0.395 nan 8.280 nan 0.000 0.527 204 E N 0.310 120.467 120.200 -0.071 0.000 2.051 204 E HA -0.285 4.064 4.350 -0.002 0.000 0.192 204 E C 1.971 178.534 176.600 -0.062 0.000 0.991 204 E CA 1.570 57.965 56.400 -0.008 0.000 0.799 204 E CB 0.023 29.727 29.700 0.006 0.000 0.748 204 E HN 0.448 nan 8.360 nan 0.000 0.449 205 E N 0.130 120.108 120.200 -0.371 0.000 2.060 205 E HA -0.134 4.214 4.350 -0.002 0.000 0.189 205 E C 1.834 178.303 176.600 -0.218 0.000 0.974 205 E CA 1.307 57.475 56.400 -0.387 0.000 0.808 205 E CB 0.131 29.263 29.700 -0.947 0.000 0.768 205 E HN 0.180 nan 8.360 nan 0.000 0.453 206 E N -0.293 119.745 120.200 -0.269 0.000 2.216 206 E HA -0.003 4.346 4.350 -0.002 0.000 0.192 206 E C 1.967 178.440 176.600 -0.211 0.000 0.973 206 E CA 1.051 57.342 56.400 -0.182 0.000 0.851 206 E CB 0.453 30.016 29.700 -0.228 0.000 0.804 206 E HN 0.306 nan 8.360 nan 0.000 0.477 207 V N -1.442 118.290 119.914 -0.304 0.000 3.013 207 V HA 0.107 4.226 4.120 -0.002 0.000 0.238 207 V C 1.177 177.058 176.094 -0.355 0.000 1.161 207 V CA 0.427 62.486 62.300 -0.401 0.000 1.170 207 V CB -0.106 31.314 31.823 -0.672 0.000 0.917 207 V HN -0.004 nan 8.190 nan 0.000 0.478 208 F N 1.099 121.063 119.950 0.023 0.000 2.731 208 F HA 0.471 4.997 4.527 -0.002 0.000 0.298 208 F C 1.688 177.466 175.800 -0.036 0.000 1.106 208 F CA 0.532 58.565 58.000 0.054 0.000 1.329 208 F CB -0.097 38.981 39.000 0.130 0.000 1.100 208 F HN 0.162 nan 8.300 nan 0.000 0.592 209 S N 0.444 116.183 115.700 0.065 0.000 3.533 209 S HA -0.042 4.427 4.470 -0.002 0.000 0.347 209 S C 0.086 174.329 174.600 -0.595 0.000 1.101 209 S CA 0.491 58.617 58.200 -0.123 0.000 1.009 209 S CB -1.466 61.701 63.200 -0.055 0.000 0.916 209 S HN 0.634 nan 8.310 nan 0.000 0.496 210 A N -0.809 121.866 122.820 -0.242 0.000 2.601 210 A HA 0.712 5.031 4.320 -0.002 0.000 0.291 210 A C -0.310 177.265 177.584 -0.015 0.000 1.075 210 A CA -0.407 51.487 52.037 -0.239 0.000 0.671 210 A CB 0.284 19.158 19.000 -0.209 0.000 1.277 210 A HN 0.298 nan 8.150 nan 0.000 0.417 211 Y N 1.216 121.373 120.300 -0.238 0.000 2.347 211 Y HA 0.216 4.765 4.550 -0.002 0.000 0.294 211 Y C 1.616 177.231 175.900 -0.474 0.000 1.117 211 Y CA 1.021 58.985 58.100 -0.226 0.000 1.184 211 Y CB -0.130 38.244 38.460 -0.142 0.000 1.047 211 Y HN 0.693 nan 8.280 nan 0.000 0.546 212 S N 0.752 115.900 115.700 -0.919 0.000 2.552 212 S HA 0.352 4.821 4.470 -0.002 0.000 0.289 212 S C 0.320 174.364 174.600 -0.927 0.000 1.304 212 S CA 0.291 57.686 58.200 -1.343 0.000 1.063 212 S CB 0.247 62.315 63.200 -1.888 0.000 0.848 212 S HN 0.467 nan 8.310 nan 0.000 0.499 213 A N 4.548 126.830 122.820 -0.896 0.000 2.806 213 A HA 0.522 4.841 4.320 -0.002 0.000 0.266 213 A C -0.743 176.134 177.584 -1.178 0.000 0.926 213 A CA -0.640 50.843 52.037 -0.923 0.000 1.068 213 A CB -0.341 18.539 19.000 -0.200 0.000 1.189 213 A HN 0.960 nan 8.150 nan 0.000 0.481 214 L N -4.889 115.461 121.223 -1.456 0.000 2.445 214 L HA 0.898 5.237 4.340 -0.002 0.000 0.262 214 L C -1.415 174.898 176.870 -0.928 0.000 0.974 214 L CA -1.131 53.174 54.840 -0.893 0.000 0.822 214 L CB 1.102 42.889 42.059 -0.453 0.000 1.339 214 L HN 0.211 nan 8.230 nan 0.000 0.409 215 W N 1.936 123.269 121.300 0.056 0.000 2.587 215 W HA 0.333 4.992 4.660 -0.002 0.000 0.324 215 W C -1.382 175.349 176.519 0.353 0.000 1.008 215 W CA -0.773 56.724 57.345 0.253 0.000 1.265 215 W CB 1.516 31.183 29.460 0.345 0.000 1.328 215 W HN 0.627 nan 8.180 nan 0.000 0.432 216 W N 2.461 123.968 121.300 0.346 0.000 2.170 216 W HA 0.198 4.857 4.660 -0.002 0.000 0.336 216 W C 1.352 177.705 176.519 -0.276 0.000 1.283 216 W CA 0.412 57.822 57.345 0.107 0.000 1.224 216 W CB 0.810 30.308 29.460 0.063 0.000 1.132 216 W HN 0.192 nan 8.180 nan 0.000 0.571 217 S N 2.383 117.825 115.700 -0.430 0.000 2.624 217 S HA 0.238 4.707 4.470 -0.002 0.000 0.263 217 S C -1.807 172.522 174.600 -0.452 0.000 1.287 217 S CA -1.020 56.344 58.200 -1.394 0.000 0.990 217 S CB 1.016 63.477 63.200 -1.231 0.000 0.950 217 S HN 0.267 nan 8.310 nan 0.000 0.561 218 P HA -0.177 nan 4.420 nan 0.000 0.214 218 P C 1.006 178.271 177.300 -0.060 0.000 1.169 218 P CA 1.764 64.822 63.100 -0.069 0.000 0.908 218 P CB -0.235 31.472 31.700 0.012 0.000 0.791 219 N N -1.784 116.872 118.700 -0.074 0.000 2.398 219 N HA 0.086 4.825 4.740 -0.002 0.000 0.188 219 N C 1.129 176.567 175.510 -0.119 0.000 1.122 219 N CA 0.851 53.855 53.050 -0.077 0.000 0.866 219 N CB -0.837 37.616 38.487 -0.056 0.000 0.970 219 N HN 0.250 nan 8.380 nan 0.000 0.462 220 G N -1.251 107.482 108.800 -0.112 0.000 2.176 220 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.253 220 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.253 220 G C 0.977 175.899 174.900 0.037 0.000 0.979 220 G CA 0.666 45.697 45.100 -0.115 0.000 0.641 220 G HN 0.374 nan 8.290 nan 0.000 0.530 221 T N 0.158 114.665 114.554 -0.079 0.000 2.674 221 T HA 0.182 4.531 4.350 -0.002 0.000 0.265 221 T C 0.885 175.450 174.700 -0.226 0.000 1.039 221 T CA 1.365 63.321 62.100 -0.240 0.000 1.150 221 T CB -0.097 68.472 68.868 -0.498 0.000 0.864 221 T HN 0.284 nan 8.240 nan 0.000 0.427 222 F N 0.332 120.314 119.950 0.053 0.000 2.425 222 F HA 0.623 5.149 4.527 -0.002 0.000 0.331 222 F C -0.188 175.664 175.800 0.086 0.000 1.085 222 F CA -1.657 56.400 58.000 0.094 0.000 1.028 222 F CB 1.080 40.191 39.000 0.185 0.000 1.177 222 F HN -0.089 nan 8.300 nan 0.000 0.487 223 L N 2.726 124.085 121.223 0.226 0.000 2.372 223 L HA 0.803 5.142 4.340 -0.002 0.000 0.273 223 L C -0.685 176.257 176.870 0.120 0.000 0.989 223 L CA -0.496 54.278 54.840 -0.110 0.000 0.841 223 L CB 0.742 42.462 42.059 -0.565 0.000 1.225 223 L HN 0.662 nan 8.230 nan 0.000 0.414 224 A N 4.543 127.512 122.820 0.249 0.000 2.306 224 A HA 0.851 5.170 4.320 -0.002 0.000 0.330 224 A C -1.430 176.215 177.584 0.101 0.000 1.146 224 A CA -0.248 51.828 52.037 0.064 0.000 0.827 224 A CB 0.778 19.884 19.000 0.176 0.000 1.178 224 A HN 0.920 nan 8.150 nan 0.000 0.490 225 Y N -2.308 117.756 120.300 -0.393 0.000 2.656 225 Y HA 0.742 5.290 4.550 -0.002 0.000 0.334 225 Y C -0.427 175.317 175.900 -0.261 0.000 1.179 225 Y CA -0.905 57.068 58.100 -0.212 0.000 1.050 225 Y CB 0.749 39.045 38.460 -0.272 0.000 1.308 225 Y HN 0.987 nan 8.280 nan 0.000 0.456 226 A N 1.806 124.680 122.820 0.090 0.000 2.337 226 A HA 0.717 5.036 4.320 -0.002 0.000 0.331 226 A C -1.249 176.187 177.584 -0.248 0.000 1.137 226 A CA -0.861 51.108 52.037 -0.112 0.000 0.807 226 A CB 1.838 20.742 19.000 -0.160 0.000 1.250 226 A HN 0.808 nan 8.150 nan 0.000 0.468 227 Q N 0.896 120.489 119.800 -0.345 0.000 2.321 227 Q HA 0.607 4.946 4.340 -0.002 0.000 0.270 227 Q C -2.076 173.683 176.000 -0.401 0.000 1.032 227 Q CA -0.374 55.314 55.803 -0.192 0.000 0.784 227 Q CB 1.111 29.930 28.738 0.135 0.000 1.264 227 Q HN 0.591 nan 8.270 nan 0.000 0.448 228 F N 2.229 122.276 119.950 0.163 0.000 2.469 228 F HA 0.424 4.950 4.527 -0.002 0.000 0.332 228 F C 0.372 176.326 175.800 0.257 0.000 1.103 228 F CA -0.933 57.145 58.000 0.132 0.000 0.979 228 F CB 1.439 40.422 39.000 -0.028 0.000 1.137 228 F HN 0.430 nan 8.300 nan 0.000 0.463 229 N N 1.825 120.756 118.700 0.384 0.000 2.479 229 N HA 0.219 4.958 4.740 -0.002 0.000 0.261 229 N C -0.761 174.929 175.510 0.300 0.000 0.979 229 N CA -0.306 52.928 53.050 0.308 0.000 0.930 229 N CB 1.061 39.674 38.487 0.210 0.000 1.172 229 N HN 0.528 nan 8.380 nan 0.000 0.499 230 D N 1.474 122.075 120.400 0.335 0.000 2.368 230 D HA 0.114 4.753 4.640 -0.002 0.000 0.218 230 D C 1.230 177.651 176.300 0.201 0.000 1.112 230 D CA 0.193 54.364 54.000 0.284 0.000 0.834 230 D CB 0.479 41.508 40.800 0.382 0.000 0.953 230 D HN 0.492 nan 8.370 nan 0.000 0.505 231 T N 0.536 115.191 114.554 0.168 0.000 2.624 231 T HA -0.247 4.102 4.350 -0.002 0.000 0.266 231 T C 1.269 176.028 174.700 0.098 0.000 1.050 231 T CA 1.456 63.626 62.100 0.118 0.000 1.163 231 T CB -0.082 68.844 68.868 0.098 0.000 0.861 231 T HN 0.306 nan 8.240 nan 0.000 0.443 232 E N 0.340 120.599 120.200 0.097 0.000 2.451 232 E HA 0.201 4.550 4.350 -0.002 0.000 0.194 232 E C -0.628 176.022 176.600 0.084 0.000 1.027 232 E CA -0.266 56.181 56.400 0.078 0.000 0.914 232 E CB 0.599 30.338 29.700 0.064 0.000 1.054 232 E HN 0.204 nan 8.360 nan 0.000 0.461 233 V N 3.273 123.251 119.914 0.106 0.000 2.488 233 V HA 0.114 4.233 4.120 -0.002 0.000 0.277 233 V C -1.984 174.167 176.094 0.094 0.000 1.046 233 V CA -1.581 60.784 62.300 0.108 0.000 0.986 233 V CB 0.492 32.397 31.823 0.137 0.000 0.989 233 V HN 0.064 nan 8.190 nan 0.000 0.475 234 P HA 0.203 nan 4.420 nan 0.000 0.270 234 P C -0.688 176.649 177.300 0.063 0.000 1.223 234 P CA -0.110 63.028 63.100 0.063 0.000 0.785 234 P CB 0.478 32.214 31.700 0.059 0.000 0.923 235 L N 2.033 123.270 121.223 0.024 0.000 2.322 235 L HA 0.487 4.826 4.340 -0.002 0.000 0.279 235 L C 0.218 177.041 176.870 -0.079 0.000 1.036 235 L CA -0.974 53.862 54.840 -0.007 0.000 0.807 235 L CB 1.123 43.173 42.059 -0.015 0.000 1.226 235 L HN 0.278 nan 8.230 nan 0.000 0.433 236 I N 2.131 122.607 120.570 -0.156 0.000 2.353 236 I HA 0.292 4.461 4.170 -0.002 0.000 0.293 236 I C -0.451 175.520 176.117 -0.245 0.000 0.992 236 I CA 0.050 61.158 61.300 -0.319 0.000 1.268 236 I CB 1.062 38.621 38.000 -0.735 0.000 1.387 236 I HN 0.563 nan 8.210 nan 0.000 0.478 237 E N 7.536 127.611 120.200 -0.208 0.000 2.210 237 E HA 0.524 4.873 4.350 -0.002 0.000 0.266 237 E C -1.774 174.759 176.600 -0.112 0.000 0.883 237 E CA -0.596 55.681 56.400 -0.204 0.000 0.761 237 E CB 2.088 31.697 29.700 -0.152 0.000 1.156 237 E HN 0.583 nan 8.360 nan 0.000 0.412 238 Y N -1.736 118.478 120.300 -0.142 0.000 2.609 238 Y HA 0.548 5.097 4.550 -0.002 0.000 0.336 238 Y C -0.693 175.146 175.900 -0.102 0.000 1.129 238 Y CA -1.252 56.775 58.100 -0.122 0.000 1.040 238 Y CB 0.887 39.282 38.460 -0.107 0.000 1.310 238 Y HN 0.213 nan 8.280 nan 0.000 0.460 239 S N 1.770 117.482 115.700 0.020 0.000 2.584 239 S HA 0.503 4.972 4.470 -0.002 0.000 0.273 239 S C -1.460 173.041 174.600 -0.165 0.000 1.311 239 S CA -0.372 57.704 58.200 -0.207 0.000 1.034 239 S CB 0.504 63.434 63.200 -0.450 0.000 0.939 239 S HN 0.534 nan 8.310 nan 0.000 0.513 240 F N 2.203 121.908 119.950 -0.409 0.000 2.539 240 F HA 0.426 4.952 4.527 -0.002 0.000 0.328 240 F C -0.336 175.238 175.800 -0.376 0.000 1.148 240 F CA -0.928 56.930 58.000 -0.237 0.000 0.940 240 F CB 0.765 39.738 39.000 -0.045 0.000 1.194 240 F HN 0.648 nan 8.300 nan 0.000 0.438 241 Y N 2.806 122.868 120.300 -0.396 0.000 2.420 241 Y HA 0.095 4.643 4.550 -0.002 0.000 0.292 241 Y C 1.778 177.561 175.900 -0.194 0.000 1.119 241 Y CA 1.162 59.119 58.100 -0.238 0.000 1.229 241 Y CB -0.617 37.705 38.460 -0.231 0.000 1.026 241 Y HN 0.741 nan 8.280 nan 0.000 0.554 242 S N -0.243 115.280 115.700 -0.295 0.000 3.307 242 S HA -0.230 4.239 4.470 -0.002 0.000 0.634 242 S C -0.475 174.149 174.600 0.041 0.000 2.711 242 S CA 0.345 58.561 58.200 0.027 0.000 2.940 242 S CB -1.196 62.154 63.200 0.250 0.000 0.331 242 S HN 0.463 nan 8.310 nan 0.000 1.766 243 D N 1.595 122.048 120.400 0.088 0.000 2.400 243 D HA 0.139 4.778 4.640 -0.002 0.000 0.238 243 D C 1.395 177.722 176.300 0.046 0.000 1.157 243 D CA 0.410 54.447 54.000 0.061 0.000 0.889 243 D CB 0.272 41.112 40.800 0.067 0.000 1.199 243 D HN 0.623 nan 8.370 nan 0.000 0.436 244 E N 0.680 120.898 120.200 0.029 0.000 2.187 244 E HA -0.258 4.091 4.350 -0.002 0.000 0.199 244 E C 1.576 178.189 176.600 0.021 0.000 1.004 244 E CA 1.528 57.938 56.400 0.017 0.000 0.813 244 E CB 0.140 29.845 29.700 0.008 0.000 0.736 244 E HN 0.465 nan 8.360 nan 0.000 0.468 245 S N 0.051 115.769 115.700 0.030 0.000 2.474 245 S HA -0.074 4.395 4.470 -0.002 0.000 0.235 245 S C 1.131 175.756 174.600 0.042 0.000 0.997 245 S CA 0.023 58.241 58.200 0.031 0.000 0.949 245 S CB -0.174 63.047 63.200 0.034 0.000 0.766 245 S HN 0.247 nan 8.310 nan 0.000 0.517 246 L N 2.420 123.676 121.223 0.054 0.000 2.530 246 L HA 0.112 4.450 4.340 -0.002 0.000 0.273 246 L C 1.636 178.540 176.870 0.057 0.000 1.141 246 L CA 0.057 54.940 54.840 0.072 0.000 0.905 246 L CB 0.776 42.888 42.059 0.089 0.000 1.202 246 L HN 0.452 nan 8.230 nan 0.000 0.473 247 Q N 4.026 123.868 119.800 0.070 0.000 2.046 247 Q HA -0.118 4.221 4.340 -0.002 0.000 0.200 247 Q C -0.551 175.392 176.000 -0.094 0.000 0.975 247 Q CA 1.430 57.233 55.803 0.000 0.000 0.836 247 Q CB 0.204 28.977 28.738 0.059 0.000 0.896 247 Q HN 0.579 nan 8.270 nan 0.000 0.428 248 Y N 0.511 120.818 120.300 0.012 0.000 2.335 248 Y HA 0.371 4.920 4.550 -0.002 0.000 0.338 248 Y C -2.027 173.869 175.900 -0.006 0.000 0.977 248 Y CA -2.909 55.193 58.100 0.002 0.000 1.114 248 Y CB 1.289 39.745 38.460 -0.008 0.000 1.182 248 Y HN 0.148 nan 8.280 nan 0.000 0.463 249 P HA 0.035 nan 4.420 nan 0.000 0.268 249 P C -0.972 176.319 177.300 -0.014 0.000 1.208 249 P CA -0.399 62.685 63.100 -0.026 0.000 0.777 249 P CB 0.516 32.122 31.700 -0.157 0.000 0.875 250 K N -0.060 120.319 120.400 -0.034 0.000 2.123 250 K HA 0.539 4.858 4.320 -0.002 0.000 0.259 250 K C -0.841 175.710 176.600 -0.081 0.000 0.960 250 K CA -0.644 55.631 56.287 -0.021 0.000 0.872 250 K CB 0.675 33.191 32.500 0.026 0.000 1.079 250 K HN 0.177 nan 8.250 nan 0.000 0.440 251 T N 2.093 116.586 114.554 -0.101 0.000 2.743 251 T HA 0.206 4.555 4.350 -0.002 0.000 0.292 251 T C -0.251 174.322 174.700 -0.212 0.000 0.972 251 T CA -0.669 61.336 62.100 -0.158 0.000 0.967 251 T CB 0.900 69.691 68.868 -0.129 0.000 0.926 251 T HN 0.363 nan 8.240 nan 0.000 0.459 252 V N 6.209 125.900 119.914 -0.371 0.000 2.546 252 V HA 0.519 4.638 4.120 -0.002 0.000 0.284 252 V C 0.366 176.179 176.094 -0.469 0.000 1.050 252 V CA -0.671 61.358 62.300 -0.451 0.000 0.981 252 V CB 0.639 32.038 31.823 -0.708 0.000 0.990 252 V HN 0.773 nan 8.190 nan 0.000 0.474 253 R N 4.254 124.610 120.500 -0.241 0.000 2.532 253 R HA 0.791 5.130 4.340 -0.002 0.000 0.297 253 R C -1.547 174.730 176.300 -0.039 0.000 0.984 253 R CA -0.627 55.375 56.100 -0.163 0.000 0.884 253 R CB 1.666 31.902 30.300 -0.107 0.000 1.182 253 R HN 0.517 nan 8.270 nan 0.000 0.442 254 V N 0.972 120.870 119.914 -0.028 0.000 2.760 254 V HA 0.551 4.670 4.120 -0.002 0.000 0.309 254 V C -2.823 173.311 176.094 0.067 0.000 1.077 254 V CA -2.416 59.931 62.300 0.079 0.000 0.910 254 V CB 2.694 34.564 31.823 0.079 0.000 1.008 254 V HN 0.592 nan 8.190 nan 0.000 0.424 255 P HA 0.218 nan 4.420 nan 0.000 0.265 255 P C -1.736 175.659 177.300 0.159 0.000 1.222 255 P CA 0.633 63.830 63.100 0.162 0.000 0.767 255 P CB -0.352 31.487 31.700 0.232 0.000 0.801 256 Y N 6.643 126.915 120.300 -0.048 0.000 2.315 256 Y HA 0.379 4.928 4.550 -0.002 0.000 0.324 256 Y C -2.719 173.158 175.900 -0.039 0.000 1.062 256 Y CA -2.949 55.080 58.100 -0.119 0.000 1.159 256 Y CB 1.793 40.058 38.460 -0.325 0.000 1.145 256 Y HN 0.280 nan 8.280 nan 0.000 0.442 257 P HA 0.239 nan 4.420 nan 0.000 0.286 257 P C -0.901 176.466 177.300 0.112 0.000 1.321 257 P CA -0.187 62.966 63.100 0.087 0.000 0.790 257 P CB 1.232 32.960 31.700 0.046 0.000 0.897 258 K N 2.101 122.645 120.400 0.240 0.000 2.120 258 K HA 0.470 4.789 4.320 -0.002 0.000 0.245 258 K C 0.614 177.322 176.600 0.180 0.000 1.024 258 K CA -0.676 55.773 56.287 0.270 0.000 0.906 258 K CB 0.533 33.199 32.500 0.276 0.000 1.051 258 K HN 0.447 nan 8.250 nan 0.000 0.491 259 A N 0.816 123.766 122.820 0.217 0.000 2.580 259 A HA 0.237 4.556 4.320 -0.002 0.000 0.244 259 A C 1.209 178.831 177.584 0.063 0.000 1.045 259 A CA 1.066 53.212 52.037 0.181 0.000 0.761 259 A CB -1.231 17.954 19.000 0.308 0.000 0.962 259 A HN 0.917 nan 8.150 nan 0.000 0.512 260 G N 0.909 109.735 108.800 0.044 0.000 2.179 260 G HA2 0.098 4.057 3.960 -0.002 0.000 0.260 260 G HA3 0.098 4.057 3.960 -0.002 0.000 0.260 260 G C 0.689 175.600 174.900 0.019 0.000 0.977 260 G CA 0.852 45.950 45.100 -0.002 0.000 0.641 260 G HN 2.185 nan 8.290 nan 0.000 0.533 261 A N -0.508 122.341 122.820 0.049 0.000 2.249 261 A HA 0.753 5.072 4.320 -0.002 0.000 0.281 261 A C 0.832 178.448 177.584 0.052 0.000 1.127 261 A CA 0.307 52.377 52.037 0.054 0.000 0.833 261 A CB 0.617 19.665 19.000 0.080 0.000 1.140 261 A HN 1.138 nan 8.150 nan 0.000 0.502 262 V N 2.397 122.344 119.914 0.054 0.000 2.479 262 V HA 0.050 4.169 4.120 -0.002 0.000 0.281 262 V C 0.273 176.412 176.094 0.074 0.000 1.031 262 V CA -0.216 62.116 62.300 0.054 0.000 1.038 262 V CB -0.124 31.732 31.823 0.055 0.000 0.981 262 V HN 0.774 nan 8.190 nan 0.000 0.478 263 N N 6.357 125.100 118.700 0.071 0.000 2.463 263 N HA 0.465 5.204 4.740 -0.002 0.000 0.270 263 N C -2.318 173.274 175.510 0.137 0.000 1.205 263 N CA -1.404 51.710 53.050 0.108 0.000 0.974 263 N CB 1.053 39.602 38.487 0.103 0.000 1.197 263 N HN 0.407 nan 8.380 nan 0.000 0.504 264 P HA 0.140 nan 4.420 nan 0.000 0.276 264 P C -0.515 176.944 177.300 0.265 0.000 1.244 264 P CA -0.210 63.041 63.100 0.252 0.000 0.801 264 P CB 0.530 32.418 31.700 0.313 0.000 1.006 265 T N -1.643 113.050 114.554 0.231 0.000 2.944 265 T HA 0.581 4.930 4.350 -0.002 0.000 0.284 265 T C -0.181 174.671 174.700 0.254 0.000 1.010 265 T CA -0.818 61.387 62.100 0.175 0.000 1.025 265 T CB 1.458 70.391 68.868 0.107 0.000 1.079 265 T HN 0.350 nan 8.240 nan 0.000 0.516 266 V N 0.208 120.253 119.914 0.218 0.000 2.962 266 V HA 0.782 4.901 4.120 -0.002 0.000 0.313 266 V C -1.538 174.669 176.094 0.188 0.000 1.099 266 V CA -0.871 61.536 62.300 0.177 0.000 0.971 266 V CB 2.080 34.061 31.823 0.264 0.000 1.028 266 V HN 1.052 nan 8.190 nan 0.000 0.430 267 K N 4.011 124.464 120.400 0.088 0.000 2.477 267 K HA 0.585 4.904 4.320 -0.002 0.000 0.255 267 K C -2.007 174.592 176.600 -0.000 0.000 0.952 267 K CA -0.486 55.838 56.287 0.062 0.000 0.826 267 K CB 2.780 35.326 32.500 0.077 0.000 1.331 267 K HN 0.552 nan 8.250 nan 0.000 0.437 268 F N 1.880 121.597 119.950 -0.389 0.000 2.551 268 F HA 0.605 5.131 4.527 -0.002 0.000 0.316 268 F C -1.509 173.783 175.800 -0.846 0.000 1.089 268 F CA -0.687 57.058 58.000 -0.425 0.000 0.915 268 F CB 0.969 39.827 39.000 -0.236 0.000 1.186 268 F HN 0.387 nan 8.300 nan 0.000 0.456 269 F N 3.470 122.700 119.950 -1.201 0.000 2.613 269 F HA 0.762 5.288 4.527 -0.002 0.000 0.314 269 F C -1.051 174.116 175.800 -1.054 0.000 1.075 269 F CA -1.219 56.194 58.000 -0.978 0.000 0.945 269 F CB 2.067 40.442 39.000 -1.041 0.000 1.310 269 F HN 0.140 nan 8.300 nan 0.000 0.467 270 V N 2.362 122.065 119.914 -0.353 0.000 2.623 270 V HA 0.650 4.769 4.120 -0.002 0.000 0.304 270 V C -1.259 174.908 176.094 0.122 0.000 1.054 270 V CA -0.815 61.344 62.300 -0.235 0.000 0.882 270 V CB 1.989 33.434 31.823 -0.631 0.000 1.002 270 V HN 0.640 nan 8.190 nan 0.000 0.424 271 V N 4.407 124.465 119.914 0.240 0.000 2.680 271 V HA 0.555 4.674 4.120 -0.002 0.000 0.309 271 V C -0.215 176.117 176.094 0.397 0.000 1.052 271 V CA -0.604 61.875 62.300 0.298 0.000 0.908 271 V CB 2.003 33.943 31.823 0.194 0.000 1.001 271 V HN 0.998 nan 8.190 nan 0.000 0.431 272 N N 3.252 122.176 118.700 0.373 0.000 2.415 272 N HA 0.156 4.895 4.740 -0.002 0.000 0.246 272 N C 1.086 176.609 175.510 0.021 0.000 1.078 272 N CA 0.326 53.489 53.050 0.187 0.000 0.942 272 N CB 1.043 39.615 38.487 0.142 0.000 1.140 272 N HN 0.919 nan 8.380 nan 0.000 0.501 273 T N -0.149 114.402 114.554 -0.005 0.000 3.227 273 T HA 0.013 4.362 4.350 -0.002 0.000 0.257 273 T C 0.362 175.016 174.700 -0.077 0.000 1.162 273 T CA 0.453 62.544 62.100 -0.016 0.000 1.051 273 T CB 0.063 69.015 68.868 0.140 0.000 0.953 273 T HN 0.414 nan 8.240 nan 0.000 0.535 274 D N 0.686 121.020 120.400 -0.111 0.000 2.417 274 D HA 0.157 4.796 4.640 -0.002 0.000 0.207 274 D C 0.580 176.827 176.300 -0.088 0.000 1.075 274 D CA 0.164 54.100 54.000 -0.107 0.000 0.851 274 D CB 0.499 41.219 40.800 -0.133 0.000 0.976 274 D HN 0.349 nan 8.370 nan 0.000 0.505 275 S N 1.132 116.787 115.700 -0.075 0.000 2.489 275 S HA 0.257 4.726 4.470 -0.002 0.000 0.237 275 S C 0.325 174.892 174.600 -0.055 0.000 1.220 275 S CA -0.477 57.703 58.200 -0.034 0.000 1.231 275 S CB -0.176 63.038 63.200 0.024 0.000 0.900 275 S HN 0.230 nan 8.310 nan 0.000 0.492 276 L N -0.888 120.245 121.223 -0.150 0.000 2.356 276 L HA 0.706 5.045 4.340 -0.002 0.000 0.277 276 L C 0.646 177.415 176.870 -0.168 0.000 0.996 276 L CA -0.790 53.913 54.840 -0.228 0.000 0.822 276 L CB 1.584 43.329 42.059 -0.523 0.000 1.256 276 L HN 0.201 nan 8.230 nan 0.000 0.413 277 S N 2.842 118.564 115.700 0.036 0.000 2.320 277 S HA 0.108 4.577 4.470 -0.002 0.000 0.180 277 S C 0.944 175.789 174.600 0.408 0.000 1.145 277 S CA 0.932 59.230 58.200 0.164 0.000 1.444 277 S CB -0.338 62.937 63.200 0.124 0.000 0.843 277 S HN 1.362 nan 8.310 nan 0.000 0.406 278 S N -1.933 113.971 115.700 0.340 0.000 4.435 278 S HA 0.027 4.496 4.470 -0.002 0.000 0.064 278 S C 0.304 174.993 174.600 0.149 0.000 0.851 278 S CA 0.182 58.538 58.200 0.259 0.000 1.082 278 S CB -1.025 62.261 63.200 0.142 0.000 0.589 278 S HN 0.667 nan 8.310 nan 0.000 0.782 279 V N 0.935 120.936 119.914 0.145 0.000 3.294 279 V HA 0.351 4.470 4.120 -0.002 0.000 0.255 279 V C 0.585 176.731 176.094 0.088 0.000 1.528 279 V CA 0.899 63.257 62.300 0.096 0.000 1.086 279 V CB 0.545 32.410 31.823 0.070 0.000 0.906 279 V HN 0.515 nan 8.190 nan 0.000 0.433 280 T N 2.391 117.008 114.554 0.104 0.000 2.845 280 T HA 0.358 4.707 4.350 -0.002 0.000 0.288 280 T C -0.111 174.656 174.700 0.111 0.000 0.980 280 T CA -0.300 61.847 62.100 0.078 0.000 1.071 280 T CB 0.739 69.648 68.868 0.069 0.000 0.941 280 T HN 0.158 nan 8.240 nan 0.000 0.487 281 N N 2.280 121.020 118.700 0.067 0.000 2.475 281 N HA 0.321 5.060 4.740 -0.002 0.000 0.267 281 N C 0.378 175.970 175.510 0.137 0.000 1.169 281 N CA -0.177 52.947 53.050 0.123 0.000 0.947 281 N CB 0.690 39.133 38.487 -0.074 0.000 1.061 281 N HN 0.845 nan 8.380 nan 0.000 0.466 282 A N 2.381 125.313 122.820 0.186 0.000 2.583 282 A HA 0.142 4.461 4.320 -0.002 0.000 0.231 282 A C 0.283 177.938 177.584 0.118 0.000 1.065 282 A CA 0.320 52.430 52.037 0.120 0.000 0.760 282 A CB 0.017 19.066 19.000 0.082 0.000 1.001 282 A HN 0.565 nan 8.150 nan 0.000 0.509 283 T N 2.220 116.841 114.554 0.112 0.000 2.772 283 T HA 0.475 4.823 4.350 -0.002 0.000 0.288 283 T C -0.197 174.602 174.700 0.165 0.000 0.994 283 T CA -0.198 61.979 62.100 0.128 0.000 0.951 283 T CB 0.974 69.919 68.868 0.128 0.000 0.933 283 T HN 0.544 nan 8.240 nan 0.000 0.447 284 S N 2.997 118.799 115.700 0.169 0.000 2.442 284 S HA 0.497 4.966 4.470 -0.002 0.000 0.297 284 S C -0.076 174.705 174.600 0.302 0.000 1.131 284 S CA -0.705 57.628 58.200 0.223 0.000 1.092 284 S CB 0.342 63.627 63.200 0.140 0.000 0.998 284 S HN 0.464 nan 8.310 nan 0.000 0.478 285 I N 3.164 123.907 120.570 0.289 0.000 2.315 285 I HA 0.250 4.419 4.170 -0.002 0.000 0.291 285 I C 0.477 176.677 176.117 0.139 0.000 1.006 285 I CA -0.098 61.362 61.300 0.266 0.000 1.265 285 I CB 1.071 39.296 38.000 0.375 0.000 1.387 285 I HN 0.607 nan 8.210 nan 0.000 0.475 286 Q N 6.424 126.251 119.800 0.044 0.000 2.293 286 Q HA 0.530 4.869 4.340 -0.002 0.000 0.251 286 Q C -1.101 174.795 176.000 -0.174 0.000 0.930 286 Q CA -0.287 55.303 55.803 -0.355 0.000 0.893 286 Q CB 0.981 29.421 28.738 -0.497 0.000 1.215 286 Q HN 0.587 nan 8.270 nan 0.000 0.425 287 I N 4.061 124.520 120.570 -0.186 0.000 2.382 287 I HA 0.240 4.409 4.170 -0.002 0.000 0.286 287 I C 0.471 176.557 176.117 -0.052 0.000 1.002 287 I CA -0.559 60.721 61.300 -0.033 0.000 1.135 287 I CB 1.609 39.644 38.000 0.058 0.000 1.288 287 I HN 0.824 nan 8.210 nan 0.000 0.448 288 T N 3.231 117.719 114.554 -0.110 0.000 2.906 288 T HA 0.825 5.174 4.350 -0.002 0.000 0.283 288 T C 0.828 175.306 174.700 -0.370 0.000 1.098 288 T CA 0.289 62.265 62.100 -0.207 0.000 0.960 288 T CB 1.162 69.922 68.868 -0.181 0.000 1.776 288 T HN 0.918 nan 8.240 nan 0.000 0.594 289 A N 0.862 123.404 122.820 -0.463 0.000 6.022 289 A HA -0.047 4.272 4.320 -0.002 0.000 0.308 289 A C -2.315 174.656 177.584 -1.021 0.000 1.896 289 A CA 0.370 52.061 52.037 -0.576 0.000 0.781 289 A CB -2.869 15.923 19.000 -0.347 0.000 1.249 289 A HN 0.886 nan 8.150 nan 0.000 0.403 290 P HA 0.387 nan 4.420 nan 0.000 0.270 290 P C 0.998 178.084 177.300 -0.357 0.000 1.223 290 P CA 0.719 63.571 63.100 -0.413 0.000 0.785 290 P CB 0.405 31.940 31.700 -0.275 0.000 0.923 291 A N 1.800 124.484 122.820 -0.227 0.000 1.908 291 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 291 A C 2.082 179.565 177.584 -0.168 0.000 1.181 291 A CA 2.424 54.352 52.037 -0.181 0.000 0.627 291 A CB -1.889 17.037 19.000 -0.123 0.000 0.818 291 A HN 0.623 nan 8.150 nan 0.000 0.445 292 S N -1.370 114.252 115.700 -0.130 0.000 2.469 292 S HA -0.083 4.386 4.470 -0.002 0.000 0.238 292 S C 1.721 176.250 174.600 -0.119 0.000 0.998 292 S CA 1.505 59.651 58.200 -0.090 0.000 0.957 292 S CB -0.279 62.943 63.200 0.037 0.000 0.764 292 S HN 0.407 nan 8.310 nan 0.000 0.514 293 M N 0.845 120.311 119.600 -0.224 0.000 2.556 293 M HA 0.352 4.831 4.480 -0.002 0.000 0.264 293 M C 2.048 178.104 176.300 -0.406 0.000 1.163 293 M CA 0.701 55.804 55.300 -0.328 0.000 1.186 293 M CB -1.189 31.063 32.600 -0.581 0.000 1.321 293 M HN 0.313 nan 8.290 nan 0.000 0.485 294 L N 1.178 122.140 121.223 -0.436 0.000 2.261 294 L HA -0.167 4.172 4.340 -0.002 0.000 0.216 294 L C 2.322 179.131 176.870 -0.101 0.000 1.114 294 L CA 0.713 55.394 54.840 -0.264 0.000 0.777 294 L CB -0.953 40.963 42.059 -0.239 0.000 0.910 294 L HN 0.333 nan 8.230 nan 0.000 0.440 295 I N -2.514 117.993 120.570 -0.106 0.000 2.657 295 I HA 0.018 4.186 4.170 -0.002 0.000 0.261 295 I C 1.078 177.176 176.117 -0.032 0.000 1.212 295 I CA 0.948 62.207 61.300 -0.068 0.000 1.453 295 I CB -0.561 37.389 38.000 -0.083 0.000 1.092 295 I HN 0.148 nan 8.210 nan 0.000 0.452 296 G N 0.073 108.875 108.800 0.003 0.000 2.650 296 G HA2 0.245 4.204 3.960 -0.002 0.000 0.310 296 G HA3 0.245 4.204 3.960 -0.002 0.000 0.310 296 G C -1.818 173.137 174.900 0.091 0.000 1.270 296 G CA -0.557 44.557 45.100 0.024 0.000 0.810 296 G HN 0.052 nan 8.290 nan 0.000 0.493 297 D N 1.286 121.686 120.400 0.000 0.000 2.443 297 D HA 0.449 5.088 4.640 -0.002 0.000 0.239 297 D C 0.377 176.611 176.300 -0.111 0.000 1.136 297 D CA 0.720 54.657 54.000 -0.106 0.000 0.879 297 D CB 0.447 41.153 40.800 -0.156 0.000 1.195 297 D HN 0.556 nan 8.370 nan 0.000 0.443 298 H N -0.887 118.032 119.070 -0.250 0.000 2.918 298 H HA 0.443 4.998 4.556 -0.002 0.000 0.303 298 H C -1.375 173.801 175.328 -0.252 0.000 1.380 298 H CA -0.789 55.116 56.048 -0.238 0.000 1.134 298 H CB 0.358 30.122 29.762 0.003 0.000 1.842 298 H HN 0.312 nan 8.280 nan 0.000 0.533 299 Y N -0.188 120.348 120.300 0.394 0.000 2.609 299 Y HA 0.439 4.988 4.550 -0.002 0.000 0.342 299 Y C -0.577 175.595 175.900 0.452 0.000 1.058 299 Y CA -1.170 57.159 58.100 0.381 0.000 1.055 299 Y CB 1.929 40.457 38.460 0.112 0.000 1.292 299 Y HN 0.496 nan 8.280 nan 0.000 0.476 300 L N 2.566 124.125 121.223 0.559 0.000 2.265 300 L HA 0.459 4.798 4.340 -0.002 0.000 0.289 300 L C 0.265 177.149 176.870 0.024 0.000 1.033 300 L CA -0.396 54.425 54.840 -0.032 0.000 0.814 300 L CB 0.503 42.487 42.059 -0.126 0.000 1.203 300 L HN 0.957 nan 8.230 nan 0.000 0.423 301 C N 1.303 120.484 119.300 -0.199 0.000 3.183 301 C HA 0.538 4.997 4.460 -0.002 0.000 0.285 301 C C 0.148 174.945 174.990 -0.322 0.000 1.313 301 C CA -0.386 58.438 59.018 -0.323 0.000 1.711 301 C CB -0.900 26.725 27.740 -0.192 0.000 2.135 301 C HN 0.861 nan 8.230 nan 0.000 0.651 302 D N 0.090 120.332 120.400 -0.263 0.000 2.734 302 D HA 0.331 4.970 4.640 -0.002 0.000 0.224 302 D C -1.799 174.218 176.300 -0.470 0.000 1.222 302 D CA 0.114 53.990 54.000 -0.207 0.000 0.761 302 D CB 2.408 43.089 40.800 -0.198 0.000 1.569 302 D HN 0.409 nan 8.370 nan 0.000 0.477 303 V N 1.297 120.861 119.914 -0.583 0.000 2.623 303 V HA 0.821 4.940 4.120 -0.002 0.000 0.304 303 V C -1.598 174.112 176.094 -0.640 0.000 1.054 303 V CA 0.058 61.823 62.300 -0.892 0.000 0.882 303 V CB 1.826 32.739 31.823 -1.516 0.000 1.002 303 V HN 0.592 nan 8.190 nan 0.000 0.424 304 T N 6.169 120.435 114.554 -0.481 0.000 3.011 304 T HA 0.424 4.773 4.350 -0.002 0.000 0.303 304 T C -1.041 173.524 174.700 -0.225 0.000 0.997 304 T CA -0.173 61.799 62.100 -0.213 0.000 1.007 304 T CB 0.986 69.803 68.868 -0.085 0.000 1.017 304 T HN 0.788 nan 8.240 nan 0.000 0.443 305 W N 2.027 123.281 121.300 -0.076 0.000 2.190 305 W HA 0.484 5.143 4.660 -0.002 0.000 0.330 305 W C 1.156 177.557 176.519 -0.197 0.000 1.299 305 W CA -0.251 57.039 57.345 -0.093 0.000 1.215 305 W CB 0.589 30.075 29.460 0.043 0.000 1.147 305 W HN 0.861 nan 8.180 nan 0.000 0.563 306 A N 1.832 124.533 122.820 -0.197 0.000 1.909 306 A HA 0.187 4.506 4.320 -0.002 0.000 0.209 306 A C 0.967 178.503 177.584 -0.081 0.000 1.247 306 A CA 1.579 53.235 52.037 -0.635 0.000 0.660 306 A CB -0.491 17.711 19.000 -1.330 0.000 0.910 306 A HN 0.543 nan 8.150 nan 0.000 0.465 307 T N -5.545 109.065 114.554 0.093 0.000 2.591 307 T HA 0.352 4.701 4.350 -0.002 0.000 0.274 307 T C 0.325 175.190 174.700 0.275 0.000 0.945 307 T CA -0.330 61.874 62.100 0.172 0.000 1.087 307 T CB 0.589 69.543 68.868 0.142 0.000 1.416 307 T HN -0.031 nan 8.240 nan 0.000 0.514 308 Q N 0.341 120.273 119.800 0.220 0.000 2.230 308 Q HA 0.103 4.442 4.340 -0.002 0.000 0.202 308 Q C 0.948 177.200 176.000 0.420 0.000 0.963 308 Q CA 1.370 57.306 55.803 0.221 0.000 0.866 308 Q CB -0.040 28.789 28.738 0.151 0.000 0.931 308 Q HN 0.794 nan 8.270 nan 0.000 0.452 309 E N -0.198 120.256 120.200 0.424 0.000 2.758 309 E HA 0.190 4.539 4.350 -0.002 0.000 0.215 309 E C -0.205 176.691 176.600 0.493 0.000 0.985 309 E CA -0.159 56.526 56.400 0.476 0.000 1.102 309 E CB 1.072 30.951 29.700 0.299 0.000 1.042 309 E HN -0.053 nan 8.360 nan 0.000 0.480 310 R N 1.610 122.414 120.500 0.506 0.000 2.538 310 R HA 0.522 4.861 4.340 -0.002 0.000 0.292 310 R C -1.699 174.658 176.300 0.096 0.000 1.008 310 R CA -0.457 55.816 56.100 0.289 0.000 0.896 310 R CB 1.394 31.738 30.300 0.073 0.000 1.187 310 R HN 0.080 nan 8.270 nan 0.000 0.440 311 I N 2.879 123.329 120.570 -0.200 0.000 2.608 311 I HA 0.414 4.583 4.170 -0.002 0.000 0.295 311 I C -0.837 174.969 176.117 -0.517 0.000 1.049 311 I CA -0.497 60.395 61.300 -0.680 0.000 1.063 311 I CB 2.278 39.402 38.000 -1.460 0.000 1.248 311 I HN 0.815 nan 8.210 nan 0.000 0.424 312 S N 7.226 122.612 115.700 -0.523 0.000 2.509 312 S HA 0.802 5.271 4.470 -0.002 0.000 0.297 312 S C -1.073 173.222 174.600 -0.508 0.000 1.118 312 S CA -0.684 57.289 58.200 -0.378 0.000 1.074 312 S CB 1.920 65.013 63.200 -0.178 0.000 1.038 312 S HN 0.435 nan 8.310 nan 0.000 0.498 313 L N 1.743 122.687 121.223 -0.466 0.000 2.408 313 L HA 0.547 4.886 4.340 -0.002 0.000 0.268 313 L C -0.481 176.101 176.870 -0.480 0.000 0.986 313 L CA -0.194 54.262 54.840 -0.640 0.000 0.820 313 L CB 2.130 43.743 42.059 -0.743 0.000 1.303 313 L HN 0.857 nan 8.230 nan 0.000 0.411 314 Q N 1.803 121.260 119.800 -0.571 0.000 2.333 314 Q HA 0.495 4.834 4.340 -0.002 0.000 0.267 314 Q C -1.719 174.017 176.000 -0.440 0.000 1.012 314 Q CA -0.477 55.116 55.803 -0.351 0.000 0.824 314 Q CB 2.168 30.755 28.738 -0.252 0.000 1.290 314 Q HN 0.499 nan 8.270 nan 0.000 0.449 315 W N 2.549 123.799 121.300 -0.084 0.000 2.689 315 W HA 0.630 5.289 4.660 -0.002 0.000 0.340 315 W C -0.910 175.635 176.519 0.043 0.000 1.060 315 W CA -0.654 56.691 57.345 -0.001 0.000 1.218 315 W CB 1.110 30.549 29.460 -0.034 0.000 1.410 315 W HN 0.380 nan 8.180 nan 0.000 0.528 316 L N 2.645 124.088 121.223 0.368 0.000 2.410 316 L HA 0.576 4.915 4.340 -0.002 0.000 0.270 316 L C -0.069 176.987 176.870 0.310 0.000 0.983 316 L CA -1.093 53.924 54.840 0.296 0.000 0.822 316 L CB 1.361 43.575 42.059 0.258 0.000 1.285 316 L HN 0.410 nan 8.230 nan 0.000 0.409 317 R N 2.217 122.862 120.500 0.242 0.000 2.679 317 R HA 0.224 4.563 4.340 -0.002 0.000 0.269 317 R C 1.036 177.378 176.300 0.070 0.000 1.076 317 R CA -0.088 56.100 56.100 0.146 0.000 1.160 317 R CB 0.560 30.935 30.300 0.126 0.000 1.054 317 R HN 0.652 nan 8.270 nan 0.000 0.507 318 R N 1.290 121.743 120.500 -0.080 0.000 2.127 318 R HA -0.073 4.266 4.340 -0.002 0.000 0.238 318 R C 0.350 176.687 176.300 0.061 0.000 1.134 318 R CA 1.154 57.186 56.100 -0.114 0.000 0.975 318 R CB 0.179 30.380 30.300 -0.165 0.000 0.865 318 R HN 0.376 nan 8.270 nan 0.000 0.447 319 I N 3.010 123.607 120.570 0.046 0.000 2.278 319 I HA 0.017 4.186 4.170 -0.002 0.000 0.296 319 I C 0.071 176.241 176.117 0.089 0.000 1.121 319 I CA 0.283 61.614 61.300 0.053 0.000 1.267 319 I CB 0.817 38.836 38.000 0.031 0.000 1.447 319 I HN 0.271 nan 8.210 nan 0.000 0.509 320 Q N 3.743 123.599 119.800 0.092 0.000 2.216 320 Q HA -0.053 4.286 4.340 -0.002 0.000 0.175 320 Q C 0.891 176.963 176.000 0.121 0.000 0.816 320 Q CA 0.071 55.942 55.803 0.112 0.000 1.016 320 Q CB -0.100 28.667 28.738 0.049 0.000 1.400 320 Q HN 0.453 nan 8.270 nan 0.000 0.373 321 N N -0.527 118.248 118.700 0.125 0.000 2.415 321 N HA -0.018 4.721 4.740 -0.002 0.000 0.174 321 N C -0.993 174.625 175.510 0.180 0.000 1.048 321 N CA 0.462 53.582 53.050 0.117 0.000 0.895 321 N CB 0.577 39.122 38.487 0.096 0.000 1.036 321 N HN 0.308 nan 8.380 nan 0.000 0.449 322 Y N 0.851 121.175 120.300 0.039 0.000 2.338 322 Y HA 0.428 4.977 4.550 -0.002 0.000 0.333 322 Y C -0.718 175.217 175.900 0.059 0.000 0.968 322 Y CA -1.045 57.078 58.100 0.039 0.000 1.123 322 Y CB 1.125 39.600 38.460 0.024 0.000 1.165 322 Y HN -0.096 nan 8.280 nan 0.000 0.452 323 S N 4.388 120.006 115.700 -0.137 0.000 2.542 323 S HA 0.905 5.374 4.470 -0.002 0.000 0.293 323 S C -1.709 172.771 174.600 -0.200 0.000 1.089 323 S CA -0.744 57.417 58.200 -0.065 0.000 0.961 323 S CB 1.918 65.107 63.200 -0.019 0.000 1.062 323 S HN 0.434 nan 8.310 nan 0.000 0.483 324 V N 3.214 123.109 119.914 -0.032 0.000 2.638 324 V HA 0.530 4.649 4.120 -0.002 0.000 0.306 324 V C -0.524 175.604 176.094 0.056 0.000 1.052 324 V CA -0.662 61.623 62.300 -0.024 0.000 0.885 324 V CB 1.856 33.694 31.823 0.025 0.000 0.999 324 V HN 1.043 nan 8.190 nan 0.000 0.424 325 M N 3.760 123.365 119.600 0.009 0.000 2.268 325 M HA 0.556 5.034 4.480 -0.002 0.000 0.344 325 M C -1.441 174.875 176.300 0.026 0.000 1.106 325 M CA -0.270 55.017 55.300 -0.021 0.000 1.010 325 M CB 1.244 33.777 32.600 -0.111 0.000 1.649 325 M HN 0.589 nan 8.290 nan 0.000 0.443 326 D N 5.242 125.649 120.400 0.012 0.000 2.256 326 D HA 0.533 5.172 4.640 -0.002 0.000 0.246 326 D C -1.017 175.257 176.300 -0.044 0.000 1.042 326 D CA -0.061 53.947 54.000 0.014 0.000 0.841 326 D CB 1.960 42.793 40.800 0.055 0.000 1.223 326 D HN 0.604 nan 8.370 nan 0.000 0.470 327 I N 2.374 122.943 120.570 -0.002 0.000 2.382 327 I HA 0.316 4.484 4.170 -0.002 0.000 0.286 327 I C -0.514 175.608 176.117 0.007 0.000 1.002 327 I CA -0.610 60.681 61.300 -0.015 0.000 1.135 327 I CB 1.311 39.355 38.000 0.074 0.000 1.288 327 I HN 0.167 nan 8.210 nan 0.000 0.448 328 c N 3.815 122.413 118.600 -0.003 0.000 2.417 328 c HA 0.576 5.145 4.570 -0.002 0.000 0.324 328 c C -0.345 173.901 174.090 0.259 0.000 1.240 328 c CA -0.742 55.656 56.329 0.116 0.000 1.632 328 c CB 1.229 43.816 42.510 0.128 0.000 2.241 328 c HN 0.586 nan 8.230 nan 0.000 0.499 329 D N 0.067 120.594 120.400 0.212 0.000 2.252 329 D HA 0.315 4.954 4.640 -0.002 0.000 0.245 329 D C -0.753 175.439 176.300 -0.179 0.000 1.009 329 D CA -0.262 53.805 54.000 0.112 0.000 0.870 329 D CB 0.913 41.728 40.800 0.025 0.000 1.251 329 D HN 0.587 nan 8.370 nan 0.000 0.460 330 Y N 1.600 121.431 120.300 -0.781 0.000 2.436 330 Y HA 0.150 4.699 4.550 -0.002 0.000 0.336 330 Y C -0.055 175.506 175.900 -0.565 0.000 1.049 330 Y CA -0.302 56.996 58.100 -1.337 0.000 1.294 330 Y CB 0.564 38.174 38.460 -1.416 0.000 1.179 330 Y HN 0.155 nan 8.280 nan 0.000 0.520 331 D N 5.682 125.457 120.400 -1.042 0.000 2.393 331 D HA 0.031 4.670 4.640 -0.002 0.000 0.232 331 D C 0.904 176.629 176.300 -0.958 0.000 1.192 331 D CA 0.091 53.661 54.000 -0.716 0.000 0.882 331 D CB 0.867 41.409 40.800 -0.430 0.000 1.038 331 D HN 0.871 nan 8.370 nan 0.000 0.499 332 E N 1.985 121.799 120.200 -0.643 0.000 2.045 332 E HA -0.197 4.152 4.350 -0.002 0.000 0.212 332 E C 0.565 177.023 176.600 -0.235 0.000 1.039 332 E CA 1.530 57.716 56.400 -0.357 0.000 0.860 332 E CB -0.040 29.601 29.700 -0.099 0.000 0.776 332 E HN 0.259 nan 8.360 nan 0.000 0.467 333 S N -0.608 114.995 115.700 -0.162 0.000 2.994 333 S HA 0.224 4.693 4.470 -0.002 0.000 0.247 333 S C -0.005 174.530 174.600 -0.108 0.000 1.323 333 S CA 0.267 58.410 58.200 -0.095 0.000 1.246 333 S CB 0.188 63.353 63.200 -0.058 0.000 0.994 333 S HN 0.169 nan 8.310 nan 0.000 0.484 334 S N -0.631 114.974 115.700 -0.158 0.000 2.364 334 S HA 0.309 4.778 4.470 -0.002 0.000 0.274 334 S C 1.450 175.985 174.600 -0.109 0.000 1.016 334 S CA 0.039 58.164 58.200 -0.126 0.000 1.332 334 S CB 0.317 63.424 63.200 -0.155 0.000 1.056 334 S HN 0.637 nan 8.310 nan 0.000 0.525 335 G N 2.304 110.983 108.800 -0.202 0.000 2.284 335 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.261 335 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.261 335 G C 0.143 175.060 174.900 0.028 0.000 0.997 335 G CA 0.920 46.015 45.100 -0.008 0.000 0.621 335 G HN 0.578 nan 8.290 nan 0.000 0.534 336 R N -0.953 119.492 120.500 -0.092 0.000 2.531 336 R HA 0.695 5.034 4.340 -0.002 0.000 0.260 336 R C -0.571 175.641 176.300 -0.148 0.000 1.144 336 R CA -0.609 55.505 56.100 0.023 0.000 1.171 336 R CB 0.231 30.557 30.300 0.043 0.000 1.199 336 R HN 0.244 nan 8.270 nan 0.000 0.594 337 W N -0.399 120.906 121.300 0.009 0.000 2.587 337 W HA 0.456 5.115 4.660 -0.002 0.000 0.324 337 W C -0.784 175.715 176.519 -0.034 0.000 1.040 337 W CA -0.449 56.893 57.345 -0.005 0.000 1.222 337 W CB 1.364 30.823 29.460 -0.003 0.000 1.381 337 W HN 0.482 nan 8.180 nan 0.000 0.483 338 N N 1.747 120.518 118.700 0.119 0.000 2.342 338 N HA 0.522 5.261 4.740 -0.002 0.000 0.293 338 N C -1.563 173.990 175.510 0.071 0.000 1.026 338 N CA -0.591 52.494 53.050 0.059 0.000 0.857 338 N CB 1.256 39.737 38.487 -0.010 0.000 1.256 338 N HN 0.191 nan 8.380 nan 0.000 0.484 339 c N 2.928 121.555 118.600 0.044 0.000 2.242 339 c HA 0.356 4.925 4.570 -0.002 0.000 0.317 339 c C 0.371 174.464 174.090 0.005 0.000 1.087 339 c CA -1.099 55.247 56.329 0.028 0.000 1.535 339 c CB -1.418 41.100 42.510 0.012 0.000 1.893 339 c HN 0.609 nan 8.230 nan 0.000 0.426 340 L N 2.862 124.090 121.223 0.010 0.000 2.559 340 L HA 0.092 4.431 4.340 -0.002 0.000 0.274 340 L C 0.899 177.762 176.870 -0.012 0.000 1.205 340 L CA 0.402 55.241 54.840 -0.002 0.000 0.907 340 L CB 0.173 42.236 42.059 0.005 0.000 1.153 340 L HN 0.521 nan 8.230 nan 0.000 0.490 341 V N 5.281 125.179 119.914 -0.027 0.000 3.566 341 V HA 0.275 4.394 4.120 -0.002 0.000 0.301 341 V C 1.258 177.327 176.094 -0.043 0.000 1.105 341 V CA 0.854 63.130 62.300 -0.040 0.000 1.142 341 V CB 1.157 32.954 31.823 -0.043 0.000 1.107 341 V HN 1.130 nan 8.190 nan 0.000 0.481 342 A N 2.787 125.566 122.820 -0.068 0.000 3.882 342 A HA -0.254 4.065 4.320 -0.002 0.000 0.242 342 A C 1.703 179.234 177.584 -0.087 0.000 0.824 342 A CA 1.637 53.629 52.037 -0.074 0.000 1.520 342 A CB -1.795 17.181 19.000 -0.039 0.000 0.993 342 A HN 0.875 nan 8.150 nan 0.000 0.728 343 R N 0.292 120.763 120.500 -0.049 0.000 2.397 343 R HA 0.137 4.476 4.340 -0.002 0.000 0.241 343 R C 0.632 176.942 176.300 0.017 0.000 0.914 343 R CA 0.688 56.805 56.100 0.027 0.000 1.071 343 R CB 0.178 30.526 30.300 0.080 0.000 1.116 343 R HN 0.871 nan 8.270 nan 0.000 0.524 344 Q N -0.212 119.524 119.800 -0.106 0.000 2.235 344 Q HA 0.237 4.576 4.340 -0.002 0.000 0.250 344 Q C -1.244 174.591 176.000 -0.275 0.000 0.909 344 Q CA -0.506 55.259 55.803 -0.064 0.000 0.910 344 Q CB 1.404 30.117 28.738 -0.042 0.000 1.223 344 Q HN 0.088 nan 8.270 nan 0.000 0.432 345 H N 1.334 120.390 119.070 -0.022 0.000 2.547 345 H HA 0.459 5.013 4.556 -0.002 0.000 0.342 345 H C -0.811 174.473 175.328 -0.074 0.000 1.048 345 H CA -0.610 55.428 56.048 -0.017 0.000 1.204 345 H CB 1.349 31.105 29.762 -0.011 0.000 1.493 345 H HN 0.568 nan 8.280 nan 0.000 0.511 346 I N 2.110 122.672 120.570 -0.013 0.000 2.395 346 I HA 0.177 4.346 4.170 -0.002 0.000 0.289 346 I C 0.191 176.239 176.117 -0.115 0.000 1.023 346 I CA 0.006 61.205 61.300 -0.167 0.000 1.350 346 I CB 0.956 38.826 38.000 -0.217 0.000 1.409 346 I HN 0.575 nan 8.210 nan 0.000 0.507 347 E N 8.387 128.473 120.200 -0.190 0.000 2.255 347 E HA 0.505 4.854 4.350 -0.002 0.000 0.256 347 E C -1.144 175.378 176.600 -0.129 0.000 0.887 347 E CA -0.661 55.686 56.400 -0.088 0.000 0.782 347 E CB 1.234 30.913 29.700 -0.036 0.000 1.214 347 E HN 0.602 nan 8.360 nan 0.000 0.417 348 M N 1.124 120.683 119.600 -0.069 0.000 2.719 348 M HA 0.670 5.149 4.480 -0.002 0.000 0.291 348 M C -0.848 175.461 176.300 0.015 0.000 1.264 348 M CA -0.985 54.308 55.300 -0.011 0.000 0.811 348 M CB 2.264 34.899 32.600 0.059 0.000 1.756 348 M HN 0.210 nan 8.290 nan 0.000 0.464 349 S N -0.672 115.041 115.700 0.021 0.000 2.547 349 S HA 0.552 5.021 4.470 -0.002 0.000 0.281 349 S C 0.171 174.764 174.600 -0.013 0.000 1.118 349 S CA -0.042 58.151 58.200 -0.011 0.000 0.947 349 S CB 1.743 64.902 63.200 -0.069 0.000 1.053 349 S HN 0.915 nan 8.310 nan 0.000 0.482 350 T N -0.075 114.472 114.554 -0.012 0.000 3.014 350 T HA 0.073 4.422 4.350 -0.002 0.000 0.250 350 T C 1.515 176.197 174.700 -0.031 0.000 1.060 350 T CA 0.886 62.980 62.100 -0.010 0.000 1.040 350 T CB -0.337 68.534 68.868 0.004 0.000 0.971 350 T HN 0.682 nan 8.240 nan 0.000 0.497 351 T N -1.938 112.588 114.554 -0.046 0.000 3.015 351 T HA 0.596 4.945 4.350 -0.002 0.000 0.250 351 T C 1.157 175.702 174.700 -0.258 0.000 1.057 351 T CA 0.423 62.495 62.100 -0.047 0.000 1.066 351 T CB 0.345 69.260 68.868 0.078 0.000 0.959 351 T HN 0.594 nan 8.240 nan 0.000 0.488 352 G N 0.321 108.793 108.800 -0.546 0.000 2.791 352 G HA2 0.485 4.444 3.960 -0.002 0.000 0.158 352 G HA3 0.485 4.444 3.960 -0.002 0.000 0.158 352 G C -1.595 173.016 174.900 -0.483 0.000 1.193 352 G CA -0.581 43.971 45.100 -0.914 0.000 1.032 352 G HN 0.497 nan 8.290 nan 0.000 0.557 353 W N -0.128 120.890 121.300 -0.469 0.000 2.225 353 W HA 0.748 5.407 4.660 -0.002 0.000 0.377 353 W C -0.423 176.039 176.519 -0.096 0.000 1.418 353 W CA -1.274 55.938 57.345 -0.221 0.000 1.562 353 W CB 0.651 29.962 29.460 -0.249 0.000 1.297 353 W HN 0.259 nan 8.180 nan 0.000 0.686 354 V N 2.965 122.957 119.914 0.131 0.000 2.407 354 V HA 0.706 4.825 4.120 -0.002 0.000 0.278 354 V C 0.747 176.916 176.094 0.127 0.000 1.037 354 V CA 0.322 62.656 62.300 0.057 0.000 0.900 354 V CB -0.038 31.818 31.823 0.056 0.000 0.983 354 V HN 1.291 nan 8.190 nan 0.000 0.459 355 G N 5.198 114.027 108.800 0.049 0.000 2.756 355 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.678 355 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.678 355 G C 0.289 175.272 174.900 0.138 0.000 1.349 355 G CA 0.148 45.301 45.100 0.088 0.000 0.847 355 G HN 0.626 nan 8.290 nan 0.000 0.548 356 R N -0.878 119.695 120.500 0.122 0.000 2.057 356 R HA 0.176 4.515 4.340 -0.002 0.000 0.229 356 R C 2.078 178.341 176.300 -0.062 0.000 1.136 356 R CA 2.126 58.254 56.100 0.046 0.000 0.952 356 R CB -0.091 30.247 30.300 0.063 0.000 0.848 356 R HN 0.463 nan 8.270 nan 0.000 0.430 357 F N -0.860 119.228 119.950 0.231 0.000 2.699 357 F HA 0.242 4.768 4.527 -0.002 0.000 0.295 357 F C 0.410 176.241 175.800 0.053 0.000 1.052 357 F CA -0.373 57.714 58.000 0.144 0.000 1.239 357 F CB 0.704 39.783 39.000 0.133 0.000 1.018 357 F HN -0.119 nan 8.300 nan 0.000 0.627 358 R N -0.723 119.907 120.500 0.217 0.000 2.692 358 R HA 0.488 4.827 4.340 -0.002 0.000 0.269 358 R C -3.288 173.063 176.300 0.084 0.000 1.030 358 R CA -1.991 54.159 56.100 0.084 0.000 0.882 358 R CB 0.470 30.766 30.300 -0.005 0.000 1.250 358 R HN -0.331 nan 8.270 nan 0.000 0.465 359 P HA -0.050 nan 4.420 nan 0.000 0.265 359 P C -0.267 177.047 177.300 0.024 0.000 1.187 359 P CA 0.167 63.281 63.100 0.024 0.000 0.766 359 P CB 0.665 32.354 31.700 -0.017 0.000 0.820 360 S N 1.902 117.629 115.700 0.045 0.000 2.576 360 S HA 0.112 4.581 4.470 -0.002 0.000 0.272 360 S C 0.247 174.857 174.600 0.016 0.000 1.352 360 S CA -0.657 57.583 58.200 0.067 0.000 1.021 360 S CB 0.300 63.561 63.200 0.101 0.000 0.887 360 S HN 0.519 nan 8.310 nan 0.000 0.542 361 E N 1.309 121.533 120.200 0.040 0.000 2.301 361 E HA 0.427 4.775 4.350 -0.002 0.000 0.275 361 E C -2.794 173.767 176.600 -0.065 0.000 1.030 361 E CA -2.407 53.968 56.400 -0.042 0.000 0.852 361 E CB 0.356 30.038 29.700 -0.030 0.000 1.060 361 E HN 0.469 nan 8.360 nan 0.000 0.401 362 P HA 0.257 nan 4.420 nan 0.000 0.284 362 P C -0.738 176.399 177.300 -0.273 0.000 1.258 362 P CA -0.409 62.523 63.100 -0.282 0.000 0.824 362 P CB 0.901 32.099 31.700 -0.837 0.000 1.038 363 H N 1.863 120.932 119.070 -0.002 0.000 2.792 363 H HA 0.292 4.847 4.556 -0.002 0.000 0.298 363 H C -0.284 175.160 175.328 0.193 0.000 1.042 363 H CA -0.317 55.823 56.048 0.154 0.000 1.300 363 H CB 0.240 30.120 29.762 0.197 0.000 1.431 363 H HN 0.304 nan 8.280 nan 0.000 0.496 364 F N 1.810 121.940 119.950 0.300 0.000 2.389 364 F HA 0.066 4.592 4.527 -0.002 0.000 0.337 364 F C 1.619 177.611 175.800 0.320 0.000 1.112 364 F CA -0.389 57.800 58.000 0.315 0.000 1.192 364 F CB 0.937 40.056 39.000 0.198 0.000 1.185 364 F HN 0.347 nan 8.300 nan 0.000 0.552 365 T N 0.492 115.349 114.554 0.504 0.000 2.828 365 T HA 0.149 4.498 4.350 -0.002 0.000 0.290 365 T C 1.144 176.036 174.700 0.319 0.000 1.019 365 T CA -0.817 61.516 62.100 0.388 0.000 1.031 365 T CB 0.851 69.933 68.868 0.357 0.000 1.001 365 T HN 0.610 nan 8.240 nan 0.000 0.531 366 L N 1.306 122.673 121.223 0.239 0.000 2.034 366 L HA -0.189 4.150 4.340 -0.002 0.000 0.217 366 L C 1.993 178.971 176.870 0.180 0.000 1.077 366 L CA 2.637 57.590 54.840 0.189 0.000 0.769 366 L CB -0.949 41.197 42.059 0.145 0.000 0.890 366 L HN 0.965 nan 8.230 nan 0.000 0.435 367 D N -1.427 119.081 120.400 0.181 0.000 2.349 367 D HA 0.097 4.736 4.640 -0.002 0.000 0.224 367 D C 1.611 178.018 176.300 0.180 0.000 1.029 367 D CA 0.670 54.765 54.000 0.159 0.000 0.879 367 D CB -0.640 40.243 40.800 0.138 0.000 0.906 367 D HN 0.466 nan 8.370 nan 0.000 0.528 368 G N 0.587 109.533 108.800 0.243 0.000 2.180 368 G HA2 -0.430 3.529 3.960 -0.002 0.000 0.263 368 G HA3 -0.430 3.529 3.960 -0.002 0.000 0.263 368 G C 0.769 175.872 174.900 0.338 0.000 0.989 368 G CA 0.611 45.877 45.100 0.276 0.000 0.692 368 G HN 0.531 nan 8.290 nan 0.000 0.526 369 N N -0.189 118.680 118.700 0.280 0.000 2.412 369 N HA 0.289 5.028 4.740 -0.002 0.000 0.184 369 N C 0.722 176.354 175.510 0.203 0.000 1.101 369 N CA 0.574 53.756 53.050 0.221 0.000 0.881 369 N CB 0.236 38.810 38.487 0.146 0.000 0.969 369 N HN 0.641 nan 8.380 nan 0.000 0.459 370 S N -0.200 115.654 115.700 0.257 0.000 2.588 370 S HA 0.681 5.150 4.470 -0.002 0.000 0.269 370 S C -1.228 173.439 174.600 0.113 0.000 1.157 370 S CA -1.088 57.130 58.200 0.030 0.000 0.824 370 S CB 1.469 64.609 63.200 -0.099 0.000 1.126 370 S HN 0.175 nan 8.310 nan 0.000 0.464 371 F N -1.856 117.924 119.950 -0.283 0.000 2.713 371 F HA 0.829 5.355 4.527 -0.002 0.000 0.311 371 F C -2.344 173.298 175.800 -0.264 0.000 1.141 371 F CA -1.514 56.273 58.000 -0.354 0.000 0.939 371 F CB 0.611 38.983 39.000 -1.046 0.000 1.325 371 F HN 0.598 nan 8.300 nan 0.000 0.453 372 Y N 1.247 121.695 120.300 0.247 0.000 2.393 372 Y HA 0.682 5.231 4.550 -0.002 0.000 0.341 372 Y C -0.570 175.500 175.900 0.283 0.000 0.988 372 Y CA -0.931 57.309 58.100 0.232 0.000 1.078 372 Y CB 2.148 40.697 38.460 0.148 0.000 1.203 372 Y HN 0.719 nan 8.280 nan 0.000 0.453 373 K N 1.478 122.115 120.400 0.396 0.000 2.542 373 K HA 0.624 4.943 4.320 -0.002 0.000 0.259 373 K C -1.784 174.962 176.600 0.243 0.000 0.932 373 K CA -0.667 55.799 56.287 0.298 0.000 0.820 373 K CB 1.537 34.152 32.500 0.191 0.000 1.345 373 K HN 0.595 nan 8.250 nan 0.000 0.432 374 I N 4.565 125.246 120.570 0.186 0.000 2.452 374 I HA 0.248 4.417 4.170 -0.002 0.000 0.287 374 I C 0.236 176.442 176.117 0.148 0.000 1.079 374 I CA -0.338 61.049 61.300 0.146 0.000 1.387 374 I CB -0.019 38.043 38.000 0.104 0.000 1.404 374 I HN 0.651 nan 8.210 nan 0.000 0.522 375 I N 1.946 122.631 120.570 0.193 0.000 3.074 375 I HA 0.507 4.676 4.170 -0.002 0.000 0.310 375 I C -0.277 175.948 176.117 0.179 0.000 1.153 375 I CA -0.824 60.586 61.300 0.183 0.000 0.993 375 I CB 2.126 40.260 38.000 0.222 0.000 1.237 375 I HN 0.330 nan 8.210 nan 0.000 0.443 376 S N 2.320 118.075 115.700 0.092 0.000 2.548 376 S HA 0.247 4.716 4.470 -0.002 0.000 0.277 376 S C 0.152 174.776 174.600 0.041 0.000 1.315 376 S CA -0.301 57.897 58.200 -0.004 0.000 1.050 376 S CB -0.086 63.061 63.200 -0.088 0.000 0.918 376 S HN 0.669 nan 8.310 nan 0.000 0.497 377 N N 2.010 120.639 118.700 -0.118 0.000 2.260 377 N HA 0.029 4.768 4.740 -0.002 0.000 0.230 377 N C 0.952 176.388 175.510 -0.124 0.000 1.323 377 N CA -0.023 52.855 53.050 -0.287 0.000 0.897 377 N CB 0.329 38.648 38.487 -0.281 0.000 1.146 377 N HN 0.767 nan 8.380 nan 0.000 0.460 378 E N 0.178 120.296 120.200 -0.137 0.000 2.435 378 E HA -0.025 4.324 4.350 -0.002 0.000 0.195 378 E C 0.675 177.236 176.600 -0.064 0.000 1.029 378 E CA 0.924 57.290 56.400 -0.057 0.000 0.865 378 E CB 0.094 29.770 29.700 -0.040 0.000 0.833 378 E HN 0.560 nan 8.360 nan 0.000 0.510 379 E N -1.419 118.736 120.200 -0.075 0.000 2.481 379 E HA 0.118 4.467 4.350 -0.002 0.000 0.198 379 E C 0.486 177.088 176.600 0.004 0.000 1.027 379 E CA 0.412 56.810 56.400 -0.004 0.000 0.900 379 E CB 0.262 29.976 29.700 0.023 0.000 0.993 379 E HN 0.348 nan 8.360 nan 0.000 0.482 380 G N 0.755 109.495 108.800 -0.100 0.000 2.175 380 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.244 380 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.244 380 G C -0.340 174.302 174.900 -0.429 0.000 0.982 380 G CA 0.209 45.148 45.100 -0.269 0.000 0.641 380 G HN 0.208 nan 8.290 nan 0.000 0.527 381 Y N 0.472 120.627 120.300 -0.242 0.000 2.342 381 Y HA 0.666 5.215 4.550 -0.002 0.000 0.334 381 Y C 1.158 176.854 175.900 -0.341 0.000 1.067 381 Y CA -0.892 57.034 58.100 -0.291 0.000 1.128 381 Y CB 0.961 39.256 38.460 -0.276 0.000 1.200 381 Y HN 0.077 nan 8.280 nan 0.000 0.464 382 R N 3.535 123.859 120.500 -0.292 0.000 2.316 382 R HA 0.278 4.617 4.340 -0.002 0.000 0.314 382 R C -0.800 175.171 176.300 -0.549 0.000 1.069 382 R CA -0.025 55.912 56.100 -0.272 0.000 0.959 382 R CB 0.107 30.304 30.300 -0.172 0.000 0.987 382 R HN 0.651 nan 8.270 nan 0.000 0.446 383 H N 1.703 120.704 119.070 -0.114 0.000 2.985 383 H HA 0.314 4.869 4.556 -0.002 0.000 0.360 383 H C -0.152 175.225 175.328 0.082 0.000 1.221 383 H CA -0.917 55.040 56.048 -0.151 0.000 1.121 383 H CB 1.573 31.127 29.762 -0.347 0.000 1.854 383 H HN 0.334 nan 8.280 nan 0.000 0.551 384 I N 1.447 122.093 120.570 0.128 0.000 2.452 384 I HA 0.007 4.176 4.170 -0.002 0.000 0.287 384 I C 0.411 176.600 176.117 0.121 0.000 1.079 384 I CA 0.256 61.614 61.300 0.098 0.000 1.387 384 I CB 0.209 38.178 38.000 -0.052 0.000 1.404 384 I HN 0.141 nan 8.210 nan 0.000 0.522 385 c N 7.452 126.063 118.600 0.018 0.000 2.382 385 c HA 0.412 4.981 4.570 -0.002 0.000 0.327 385 c C -0.339 173.615 174.090 -0.226 0.000 1.250 385 c CA -0.509 55.595 56.329 -0.375 0.000 1.707 385 c CB 0.937 42.944 42.510 -0.838 0.000 2.272 385 c HN 0.636 nan 8.230 nan 0.000 0.506 386 Y N 5.076 125.042 120.300 -0.558 0.000 2.341 386 Y HA 0.664 5.213 4.550 -0.002 0.000 0.340 386 Y C -1.036 174.404 175.900 -0.767 0.000 0.997 386 Y CA -0.839 56.879 58.100 -0.637 0.000 1.149 386 Y CB 0.181 38.345 38.460 -0.493 0.000 1.171 386 Y HN 0.605 nan 8.280 nan 0.000 0.494 387 F N 3.273 122.479 119.950 -1.239 0.000 2.507 387 F HA 0.495 5.021 4.527 -0.002 0.000 0.327 387 F C -0.252 174.819 175.800 -1.215 0.000 1.068 387 F CA -1.007 56.222 58.000 -1.285 0.000 0.965 387 F CB 1.563 39.468 39.000 -1.826 0.000 1.192 387 F HN 0.275 nan 8.300 nan 0.000 0.476 388 Q N 1.926 121.407 119.800 -0.531 0.000 2.325 388 Q HA 0.366 4.705 4.340 -0.002 0.000 0.262 388 Q C 1.076 177.046 176.000 -0.050 0.000 0.968 388 Q CA -0.258 55.360 55.803 -0.308 0.000 0.877 388 Q CB 1.344 29.954 28.738 -0.213 0.000 1.253 388 Q HN 0.691 nan 8.270 nan 0.000 0.448 389 I N -0.460 120.162 120.570 0.086 0.000 2.381 389 I HA -0.233 3.936 4.170 -0.002 0.000 0.255 389 I C 0.358 176.684 176.117 0.350 0.000 1.140 389 I CA 1.673 63.174 61.300 0.334 0.000 1.404 389 I CB -0.061 38.158 38.000 0.364 0.000 1.075 389 I HN 0.455 nan 8.210 nan 0.000 0.433 390 D N 0.335 120.840 120.400 0.175 0.000 2.559 390 D HA 0.265 4.904 4.640 -0.002 0.000 0.234 390 D C -0.122 176.208 176.300 0.049 0.000 1.226 390 D CA -0.367 53.691 54.000 0.098 0.000 0.830 390 D CB 0.121 40.955 40.800 0.057 0.000 1.028 390 D HN 0.294 nan 8.370 nan 0.000 0.492 391 K N 0.446 120.904 120.400 0.096 0.000 2.426 391 K HA 0.273 4.592 4.320 -0.002 0.000 0.254 391 K C 1.081 177.731 176.600 0.083 0.000 0.936 391 K CA -0.746 55.559 56.287 0.030 0.000 0.801 391 K CB 2.120 34.598 32.500 -0.037 0.000 1.139 391 K HN -0.079 nan 8.250 nan 0.000 0.424 392 K N 0.873 121.272 120.400 -0.002 0.000 2.009 392 K HA -0.059 4.260 4.320 -0.002 0.000 0.210 392 K C -0.167 176.457 176.600 0.040 0.000 1.049 392 K CA 1.144 57.435 56.287 0.006 0.000 0.929 392 K CB -0.020 32.459 32.500 -0.035 0.000 0.714 392 K HN 0.367 nan 8.250 nan 0.000 0.440 393 D N 1.413 121.775 120.400 -0.063 0.000 2.256 393 D HA 0.138 4.777 4.640 -0.002 0.000 0.250 393 D C 0.008 176.091 176.300 -0.361 0.000 1.093 393 D CA -0.373 53.526 54.000 -0.170 0.000 0.882 393 D CB 1.415 42.132 40.800 -0.138 0.000 1.185 393 D HN 0.425 nan 8.370 nan 0.000 0.437 394 c N 0.377 118.589 118.600 -0.646 0.000 2.407 394 c HA 0.779 5.348 4.570 -0.002 0.000 0.366 394 c C 0.288 173.960 174.090 -0.697 0.000 1.213 394 c CA -0.600 55.117 56.329 -1.019 0.000 2.011 394 c CB 1.067 42.271 42.510 -2.177 0.000 2.306 394 c HN 0.458 nan 8.230 nan 0.000 0.527 395 T N 2.006 116.216 114.554 -0.573 0.000 2.786 395 T HA 0.461 4.810 4.350 -0.002 0.000 0.283 395 T C -0.660 173.843 174.700 -0.328 0.000 0.992 395 T CA 0.146 62.063 62.100 -0.305 0.000 0.954 395 T CB 0.225 69.067 68.868 -0.043 0.000 0.934 395 T HN 0.477 nan 8.240 nan 0.000 0.440 396 F N 3.639 123.481 119.950 -0.181 0.000 2.543 396 F HA 0.209 4.735 4.527 -0.002 0.000 0.375 396 F C 1.678 177.318 175.800 -0.266 0.000 1.075 396 F CA -0.820 57.057 58.000 -0.205 0.000 1.225 396 F CB 0.317 39.200 39.000 -0.195 0.000 1.099 396 F HN 0.575 nan 8.300 nan 0.000 0.561 397 I N -0.496 119.948 120.570 -0.210 0.000 3.783 397 I HA 0.189 4.358 4.170 -0.002 0.000 0.310 397 I C 0.348 176.286 176.117 -0.298 0.000 1.274 397 I CA 0.201 61.138 61.300 -0.604 0.000 1.294 397 I CB -0.023 37.319 38.000 -1.096 0.000 1.051 397 I HN 0.494 nan 8.210 nan 0.000 0.435 398 T N 0.272 114.713 114.554 -0.188 0.000 2.906 398 T HA 0.722 5.070 4.350 -0.002 0.000 0.295 398 T C -0.671 173.662 174.700 -0.612 0.000 1.075 398 T CA -0.694 61.279 62.100 -0.211 0.000 1.005 398 T CB 2.715 71.521 68.868 -0.104 0.000 1.136 398 T HN 0.512 nan 8.240 nan 0.000 0.498 399 K N -0.398 119.469 120.400 -0.888 0.000 2.658 399 K HA 0.766 5.085 4.320 -0.002 0.000 0.293 399 K C -0.453 175.517 176.600 -1.051 0.000 1.026 399 K CA -0.860 54.583 56.287 -1.406 0.000 0.871 399 K CB 1.206 33.297 32.500 -0.683 0.000 1.524 399 K HN 1.637 nan 8.250 nan 0.000 0.400 400 G N -0.134 108.109 108.800 -0.929 0.000 2.347 400 G HA2 0.079 4.038 3.960 -0.002 0.000 0.477 400 G HA3 0.079 4.038 3.960 -0.002 0.000 0.477 400 G C -0.688 173.727 174.900 -0.808 0.000 1.349 400 G CA -0.384 44.371 45.100 -0.574 0.000 1.000 400 G HN 1.049 nan 8.290 nan 0.000 0.605 401 T N -0.468 113.764 114.554 -0.537 0.000 4.058 401 T HA 0.555 4.904 4.350 -0.002 0.000 0.252 401 T C 0.254 174.837 174.700 -0.194 0.000 1.264 401 T CA 0.563 62.166 62.100 -0.828 0.000 1.094 401 T CB -0.920 67.688 68.868 -0.432 0.000 1.316 401 T HN 1.464 nan 8.240 nan 0.000 0.872 402 W N -0.398 120.793 121.300 -0.182 0.000 2.895 402 W HA 0.665 5.323 4.660 -0.002 0.000 0.377 402 W C -1.403 175.119 176.519 0.006 0.000 1.191 402 W CA -0.997 56.354 57.345 0.010 0.000 1.179 402 W CB 0.643 30.088 29.460 -0.025 0.000 1.469 402 W HN 0.160 nan 8.180 nan 0.000 0.577 403 E N 0.638 120.966 120.200 0.213 0.000 2.367 403 E HA 0.448 4.796 4.350 -0.002 0.000 0.273 403 E C -1.276 175.378 176.600 0.089 0.000 0.903 403 E CA -1.160 55.156 56.400 -0.140 0.000 0.764 403 E CB 3.398 33.076 29.700 -0.037 0.000 1.252 403 E HN 0.144 nan 8.360 nan 0.000 0.446 404 V N 3.703 123.540 119.914 -0.128 0.000 2.488 404 V HA 0.015 4.134 4.120 -0.002 0.000 0.277 404 V C 1.211 177.368 176.094 0.105 0.000 1.046 404 V CA -0.020 62.317 62.300 0.061 0.000 0.986 404 V CB 0.602 32.358 31.823 -0.113 0.000 0.989 404 V HN 0.687 nan 8.190 nan 0.000 0.475 405 I N 3.331 124.004 120.570 0.171 0.000 2.277 405 I HA 0.215 4.384 4.170 -0.002 0.000 0.243 405 I C 1.136 177.357 176.117 0.175 0.000 1.094 405 I CA 1.285 62.686 61.300 0.168 0.000 1.393 405 I CB -0.773 37.277 38.000 0.083 0.000 1.078 405 I HN 0.743 nan 8.210 nan 0.000 0.417 406 G N 0.494 109.399 108.800 0.174 0.000 2.632 406 G HA2 0.536 4.495 3.960 -0.002 0.000 0.292 406 G HA3 0.536 4.495 3.960 -0.002 0.000 0.292 406 G C -1.209 173.782 174.900 0.152 0.000 1.465 406 G CA -0.566 44.634 45.100 0.167 0.000 0.824 406 G HN -0.034 nan 8.290 nan 0.000 0.509 407 I N 1.662 122.269 120.570 0.061 0.000 2.352 407 I HA 0.225 4.394 4.170 -0.002 0.000 0.290 407 I C 0.645 176.706 176.117 -0.093 0.000 1.036 407 I CA -0.526 60.706 61.300 -0.113 0.000 1.336 407 I CB 1.679 39.365 38.000 -0.522 0.000 1.407 407 I HN 0.512 nan 8.210 nan 0.000 0.497 408 E N 4.937 125.132 120.200 -0.008 0.000 2.251 408 E HA 0.307 4.656 4.350 -0.002 0.000 0.194 408 E C 0.217 176.736 176.600 -0.134 0.000 0.964 408 E CA 0.248 56.675 56.400 0.045 0.000 0.868 408 E CB 0.789 30.608 29.700 0.198 0.000 0.828 408 E HN 0.687 nan 8.360 nan 0.000 0.481 409 A N 0.585 123.234 122.820 -0.285 0.000 2.605 409 A HA 0.612 4.931 4.320 -0.002 0.000 0.294 409 A C -1.984 175.509 177.584 -0.152 0.000 1.062 409 A CA -0.645 51.153 52.037 -0.399 0.000 0.682 409 A CB 1.324 19.584 19.000 -1.234 0.000 1.278 409 A HN 0.040 nan 8.150 nan 0.000 0.410 410 L N 1.521 122.702 121.223 -0.070 0.000 2.482 410 L HA 0.729 5.068 4.340 -0.002 0.000 0.269 410 L C 0.157 177.054 176.870 0.046 0.000 0.967 410 L CA 0.427 55.267 54.840 -0.001 0.000 0.851 410 L CB 1.865 43.948 42.059 0.040 0.000 1.242 410 L HN 1.154 nan 8.230 nan 0.000 0.404 411 T N -0.152 114.449 114.554 0.079 0.000 2.922 411 T HA 0.429 4.778 4.350 -0.002 0.000 0.281 411 T C 1.090 175.832 174.700 0.070 0.000 1.005 411 T CA 0.047 62.202 62.100 0.092 0.000 0.982 411 T CB 1.276 70.238 68.868 0.156 0.000 1.158 411 T HN 0.640 nan 8.240 nan 0.000 0.566 412 S N -0.892 114.847 115.700 0.066 0.000 2.481 412 S HA -0.055 4.414 4.470 -0.002 0.000 0.231 412 S C 1.155 175.747 174.600 -0.013 0.000 0.996 412 S CA 0.783 59.012 58.200 0.048 0.000 0.942 412 S CB -0.485 62.746 63.200 0.051 0.000 0.768 412 S HN 0.692 nan 8.310 nan 0.000 0.520 413 D N -0.045 120.342 120.400 -0.021 0.000 2.290 413 D HA 0.263 4.902 4.640 -0.002 0.000 0.224 413 D C -0.228 175.822 176.300 -0.417 0.000 0.967 413 D CA 0.833 54.728 54.000 -0.174 0.000 0.893 413 D CB 0.239 41.033 40.800 -0.010 0.000 1.037 413 D HN 0.437 nan 8.370 nan 0.000 0.477 414 Y N -0.751 119.500 120.300 -0.082 0.000 2.665 414 Y HA 0.460 5.009 4.550 -0.002 0.000 0.336 414 Y C -0.389 175.350 175.900 -0.268 0.000 1.085 414 Y CA -1.160 56.803 58.100 -0.229 0.000 1.096 414 Y CB 1.777 39.963 38.460 -0.457 0.000 1.301 414 Y HN -0.248 nan 8.280 nan 0.000 0.493 415 L N 2.218 123.336 121.223 -0.175 0.000 2.349 415 L HA 0.499 4.838 4.340 -0.002 0.000 0.278 415 L C -2.033 174.705 176.870 -0.220 0.000 0.996 415 L CA -0.809 53.904 54.840 -0.212 0.000 0.825 415 L CB 0.548 42.408 42.059 -0.331 0.000 1.243 415 L HN 0.641 nan 8.230 nan 0.000 0.412 416 Y N 5.910 126.130 120.300 -0.133 0.000 2.330 416 Y HA 0.568 5.117 4.550 -0.002 0.000 0.336 416 Y C -0.125 175.767 175.900 -0.014 0.000 1.036 416 Y CA -0.319 57.695 58.100 -0.143 0.000 1.125 416 Y CB 1.379 39.652 38.460 -0.311 0.000 1.194 416 Y HN 0.566 nan 8.280 nan 0.000 0.469 417 Y N 0.125 120.470 120.300 0.076 0.000 2.625 417 Y HA 0.798 5.347 4.550 -0.002 0.000 0.338 417 Y C -1.803 174.172 175.900 0.125 0.000 1.123 417 Y CA -1.996 56.144 58.100 0.067 0.000 1.046 417 Y CB 1.144 39.622 38.460 0.029 0.000 1.299 417 Y HN 0.426 nan 8.280 nan 0.000 0.464 418 I N 3.080 123.831 120.570 0.301 0.000 2.404 418 I HA 0.646 4.815 4.170 -0.002 0.000 0.293 418 I C -0.415 175.886 176.117 0.307 0.000 0.992 418 I CA -0.472 60.950 61.300 0.204 0.000 1.149 418 I CB 2.003 40.067 38.000 0.106 0.000 1.315 418 I HN 0.902 nan 8.210 nan 0.000 0.446 419 S N 3.275 119.127 115.700 0.252 0.000 2.671 419 S HA 0.428 4.897 4.470 -0.002 0.000 0.277 419 S C -0.609 174.057 174.600 0.111 0.000 1.165 419 S CA -0.869 57.468 58.200 0.229 0.000 0.822 419 S CB 1.725 65.124 63.200 0.331 0.000 1.150 419 S HN 0.638 nan 8.310 nan 0.000 0.479 420 N N -0.498 118.272 118.700 0.117 0.000 2.389 420 N HA 0.159 4.898 4.740 -0.002 0.000 0.260 420 N C 0.460 175.978 175.510 0.014 0.000 1.191 420 N CA -0.311 52.765 53.050 0.043 0.000 0.885 420 N CB 0.335 38.829 38.487 0.012 0.000 1.162 420 N HN 0.828 nan 8.380 nan 0.000 0.512 421 E N -0.104 119.984 120.200 -0.187 0.000 2.072 421 E HA -0.180 4.169 4.350 -0.002 0.000 0.190 421 E C -0.321 176.147 176.600 -0.219 0.000 0.982 421 E CA 0.169 56.235 56.400 -0.558 0.000 0.803 421 E CB -0.079 28.630 29.700 -1.652 0.000 0.755 421 E HN 0.376 nan 8.360 nan 0.000 0.453 422 Y N 1.788 122.005 120.300 -0.138 0.000 2.895 422 Y HA -0.131 4.418 4.550 -0.002 0.000 0.334 422 Y C 0.508 176.375 175.900 -0.054 0.000 1.261 422 Y CA 0.899 58.966 58.100 -0.055 0.000 1.560 422 Y CB 0.223 38.681 38.460 -0.004 0.000 1.253 422 Y HN 0.096 nan 8.280 nan 0.000 0.582 423 K N 3.306 123.371 120.400 -0.558 0.000 3.274 423 K HA -0.237 4.082 4.320 -0.002 0.000 0.305 423 K C 0.870 177.387 176.600 -0.139 0.000 1.225 423 K CA 1.333 57.382 56.287 -0.396 0.000 0.904 423 K CB -1.604 30.656 32.500 -0.400 0.000 1.227 423 K HN 1.329 nan 8.250 nan 0.000 0.453 424 G N 0.045 108.780 108.800 -0.108 0.000 2.187 424 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.261 424 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.261 424 G C 0.054 174.931 174.900 -0.039 0.000 1.000 424 G CA 0.888 45.971 45.100 -0.028 0.000 0.718 424 G HN 0.462 nan 8.290 nan 0.000 0.519 425 M N -0.631 118.879 119.600 -0.151 0.000 2.069 425 M HA 0.416 4.895 4.480 -0.002 0.000 0.349 425 M C -1.357 174.684 176.300 -0.432 0.000 1.194 425 M CA -2.124 52.893 55.300 -0.472 0.000 1.081 425 M CB 1.621 33.965 32.600 -0.426 0.000 1.500 425 M HN -0.092 nan 8.290 nan 0.000 0.438 426 P HA -0.079 nan 4.420 nan 0.000 0.228 426 P C 1.042 178.195 177.300 -0.246 0.000 1.151 426 P CA 1.347 64.277 63.100 -0.283 0.000 0.770 426 P CB -0.001 31.558 31.700 -0.234 0.000 0.786 427 G N -0.643 107.944 108.800 -0.355 0.000 3.189 427 G HA2 0.305 4.264 3.960 -0.002 0.000 0.225 427 G HA3 0.305 4.264 3.960 -0.002 0.000 0.225 427 G C 0.633 175.545 174.900 0.019 0.000 1.159 427 G CA 0.047 45.069 45.100 -0.130 0.000 0.763 427 G HN 0.419 nan 8.290 nan 0.000 0.549 428 G N -0.131 108.629 108.800 -0.067 0.000 2.454 428 G HA2 0.649 4.608 3.960 -0.002 0.000 0.329 428 G HA3 0.649 4.608 3.960 -0.002 0.000 0.329 428 G C -0.895 173.914 174.900 -0.151 0.000 1.177 428 G CA -0.758 44.338 45.100 -0.006 0.000 0.951 428 G HN 0.065 nan 8.290 nan 0.000 0.485 429 R N 1.133 121.490 120.500 -0.239 0.000 2.574 429 R HA 0.474 4.813 4.340 -0.002 0.000 0.288 429 R C -1.204 175.064 176.300 -0.052 0.000 1.004 429 R CA -0.830 55.102 56.100 -0.281 0.000 0.895 429 R CB 2.134 32.009 30.300 -0.709 0.000 1.191 429 R HN 0.609 nan 8.270 nan 0.000 0.444 430 N N 1.535 120.233 118.700 -0.004 0.000 2.329 430 N HA 0.291 5.030 4.740 -0.002 0.000 0.282 430 N C -1.326 174.100 175.510 -0.141 0.000 1.198 430 N CA -0.809 52.167 53.050 -0.122 0.000 0.790 430 N CB 2.744 41.070 38.487 -0.268 0.000 1.579 430 N HN 0.243 nan 8.380 nan 0.000 0.475 431 L N 2.132 123.125 121.223 -0.384 0.000 2.305 431 L HA 0.469 4.808 4.340 -0.002 0.000 0.281 431 L C -1.412 175.139 176.870 -0.531 0.000 1.085 431 L CA 0.135 54.776 54.840 -0.331 0.000 0.813 431 L CB -0.129 41.709 42.059 -0.370 0.000 1.157 431 L HN 0.411 nan 8.230 nan 0.000 0.436 432 Y N 3.398 123.350 120.300 -0.581 0.000 2.545 432 Y HA 0.593 5.142 4.550 -0.002 0.000 0.348 432 Y C -0.525 174.969 175.900 -0.677 0.000 1.002 432 Y CA -0.921 56.763 58.100 -0.695 0.000 1.039 432 Y CB 1.739 39.588 38.460 -1.018 0.000 1.271 432 Y HN 0.569 nan 8.280 nan 0.000 0.467 433 K N 2.538 122.726 120.400 -0.353 0.000 2.378 433 K HA 0.777 5.096 4.320 -0.002 0.000 0.252 433 K C -1.909 174.603 176.600 -0.146 0.000 0.931 433 K CA -0.699 55.306 56.287 -0.470 0.000 0.794 433 K CB 2.694 34.673 32.500 -0.869 0.000 1.181 433 K HN 0.773 nan 8.250 nan 0.000 0.425 434 I N 2.044 122.627 120.570 0.021 0.000 2.509 434 I HA 0.182 4.351 4.170 -0.002 0.000 0.293 434 I C -0.808 175.440 176.117 0.218 0.000 1.020 434 I CA -0.827 60.580 61.300 0.179 0.000 1.088 434 I CB 2.118 40.251 38.000 0.221 0.000 1.267 434 I HN 0.844 nan 8.210 nan 0.000 0.430 435 Q N 5.363 125.277 119.800 0.190 0.000 2.281 435 Q HA 0.105 4.444 4.340 -0.002 0.000 0.267 435 Q C 0.279 176.232 176.000 -0.078 0.000 1.053 435 Q CA -0.540 55.194 55.803 -0.114 0.000 0.905 435 Q CB 1.109 29.808 28.738 -0.066 0.000 1.195 435 Q HN 0.715 nan 8.270 nan 0.000 0.398 436 L N 2.890 123.999 121.223 -0.190 0.000 2.191 436 L HA -0.148 4.191 4.340 -0.002 0.000 0.212 436 L C 1.938 178.713 176.870 -0.159 0.000 1.103 436 L CA 1.441 56.245 54.840 -0.059 0.000 0.769 436 L CB -0.748 41.246 42.059 -0.109 0.000 0.908 436 L HN 0.572 nan 8.230 nan 0.000 0.438 437 S N -1.484 114.085 115.700 -0.218 0.000 2.461 437 S HA -0.042 4.427 4.470 -0.002 0.000 0.228 437 S C 0.515 174.949 174.600 -0.276 0.000 1.005 437 S CA 0.579 58.644 58.200 -0.225 0.000 0.942 437 S CB -0.002 63.090 63.200 -0.179 0.000 0.776 437 S HN 0.441 nan 8.310 nan 0.000 0.514 438 D N -0.533 119.720 120.400 -0.245 0.000 2.318 438 D HA 0.222 4.861 4.640 -0.002 0.000 0.233 438 D C -0.240 176.025 176.300 -0.060 0.000 1.348 438 D CA -0.534 53.336 54.000 -0.217 0.000 0.983 438 D CB 0.008 40.740 40.800 -0.113 0.000 1.416 438 D HN -0.115 nan 8.370 nan 0.000 0.558 439 Y N 1.445 121.728 120.300 -0.028 0.000 2.556 439 Y HA -0.077 4.472 4.550 -0.002 0.000 0.290 439 Y C 2.405 178.316 175.900 0.019 0.000 1.149 439 Y CA 0.822 58.920 58.100 -0.004 0.000 1.329 439 Y CB -0.908 37.549 38.460 -0.005 0.000 0.975 439 Y HN 0.369 nan 8.280 nan 0.000 0.561 440 T N -0.236 114.395 114.554 0.127 0.000 2.915 440 T HA -0.087 4.262 4.350 -0.002 0.000 0.269 440 T C 0.832 175.584 174.700 0.085 0.000 1.071 440 T CA 0.810 62.961 62.100 0.085 0.000 1.132 440 T CB -0.175 68.714 68.868 0.035 0.000 0.878 440 T HN 0.211 nan 8.240 nan 0.000 0.479 441 K N 2.105 122.558 120.400 0.090 0.000 2.180 441 K HA 0.383 4.702 4.320 -0.002 0.000 0.250 441 K C -0.908 175.767 176.600 0.125 0.000 1.135 441 K CA -0.221 56.122 56.287 0.093 0.000 1.037 441 K CB 1.135 33.685 32.500 0.084 0.000 1.624 441 K HN 0.052 nan 8.250 nan 0.000 0.382 442 V N 2.063 122.047 119.914 0.117 0.000 2.417 442 V HA 0.396 4.515 4.120 -0.002 0.000 0.291 442 V C -0.772 175.372 176.094 0.084 0.000 1.024 442 V CA -0.055 62.324 62.300 0.132 0.000 0.861 442 V CB 1.766 33.699 31.823 0.183 0.000 0.985 442 V HN 0.530 nan 8.190 nan 0.000 0.436 443 T N 6.267 120.831 114.554 0.016 0.000 2.792 443 T HA 0.307 4.656 4.350 -0.002 0.000 0.280 443 T C -0.494 174.093 174.700 -0.189 0.000 0.990 443 T CA -0.249 61.807 62.100 -0.072 0.000 0.960 443 T CB 1.039 69.829 68.868 -0.129 0.000 0.939 443 T HN 0.929 nan 8.240 nan 0.000 0.439 444 C N 5.150 124.264 119.300 -0.310 0.000 2.482 444 C HA 0.421 4.879 4.460 -0.002 0.000 0.378 444 C C 1.566 176.212 174.990 -0.574 0.000 1.284 444 C CA -0.546 58.008 59.018 -0.773 0.000 1.826 444 C CB -1.760 25.436 27.740 -0.907 0.000 2.473 444 C HN 0.977 nan 8.230 nan 0.000 0.562 445 L N 4.818 125.679 121.223 -0.604 0.000 2.585 445 L HA 0.116 4.455 4.340 -0.002 0.000 0.226 445 L C 2.003 178.562 176.870 -0.519 0.000 1.113 445 L CA 0.676 55.252 54.840 -0.439 0.000 0.876 445 L CB -0.236 41.613 42.059 -0.349 0.000 1.072 445 L HN 0.889 nan 8.230 nan 0.000 0.468 446 S N -3.188 112.086 115.700 -0.709 0.000 2.663 446 S HA -0.022 4.447 4.470 -0.002 0.000 0.247 446 S C 1.867 176.059 174.600 -0.679 0.000 1.074 446 S CA 0.060 57.735 58.200 -0.874 0.000 0.955 446 S CB -0.285 62.007 63.200 -1.514 0.000 0.901 446 S HN 0.286 nan 8.310 nan 0.000 0.505 447 C N 2.374 121.230 119.300 -0.740 0.000 2.336 447 C HA -0.125 4.334 4.460 -0.002 0.000 0.272 447 C C 2.556 177.244 174.990 -0.504 0.000 1.160 447 C CA 1.873 60.364 59.018 -0.879 0.000 1.783 447 C CB -1.229 25.746 27.740 -1.275 0.000 2.050 447 C HN 0.628 nan 8.230 nan 0.000 0.443 448 E N 0.019 120.009 120.200 -0.348 0.000 2.489 448 E HA 0.145 4.494 4.350 -0.002 0.000 0.193 448 E C 1.921 178.467 176.600 -0.091 0.000 1.057 448 E CA -0.026 56.281 56.400 -0.156 0.000 0.866 448 E CB -0.295 29.336 29.700 -0.115 0.000 0.916 448 E HN 0.574 nan 8.360 nan 0.000 0.500 449 L N 0.248 121.410 121.223 -0.103 0.000 2.043 449 L HA -0.144 4.195 4.340 -0.002 0.000 0.212 449 L C 0.949 177.829 176.870 0.016 0.000 1.075 449 L CA 1.053 55.877 54.840 -0.026 0.000 0.752 449 L CB -0.068 41.995 42.059 0.006 0.000 0.891 449 L HN 0.158 nan 8.230 nan 0.000 0.432 450 N N -1.759 116.963 118.700 0.038 0.000 3.091 450 N HA 0.041 4.780 4.740 -0.002 0.000 0.185 450 N C -2.098 173.439 175.510 0.044 0.000 1.398 450 N CA -0.617 52.453 53.050 0.032 0.000 0.938 450 N CB 0.508 39.009 38.487 0.024 0.000 1.605 450 N HN -0.172 nan 8.380 nan 0.000 0.597 451 P HA -0.163 nan 4.420 nan 0.000 0.219 451 P C 0.738 178.084 177.300 0.076 0.000 1.144 451 P CA 1.212 64.366 63.100 0.091 0.000 0.806 451 P CB 0.667 32.438 31.700 0.118 0.000 0.771 452 E N -0.237 119.988 120.200 0.042 0.000 2.060 452 E HA -0.085 4.264 4.350 -0.002 0.000 0.189 452 E C 2.263 178.867 176.600 0.006 0.000 0.974 452 E CA 0.724 57.140 56.400 0.026 0.000 0.808 452 E CB -0.318 29.390 29.700 0.012 0.000 0.768 452 E HN 0.310 nan 8.360 nan 0.000 0.453 453 R N -0.160 120.331 120.500 -0.015 0.000 2.210 453 R HA 0.071 4.410 4.340 -0.002 0.000 0.203 453 R C -0.044 176.205 176.300 -0.083 0.000 1.010 453 R CA 0.433 56.501 56.100 -0.054 0.000 1.008 453 R CB 0.411 30.668 30.300 -0.072 0.000 0.923 453 R HN 0.019 nan 8.270 nan 0.000 0.469 454 c N 1.125 119.688 118.600 -0.062 0.000 2.344 454 c HA 0.405 4.974 4.570 -0.002 0.000 0.326 454 c C -0.068 174.010 174.090 -0.020 0.000 1.201 454 c CA -0.721 55.515 56.329 -0.156 0.000 1.410 454 c CB 1.364 43.721 42.510 -0.256 0.000 2.070 454 c HN 0.504 nan 8.230 nan 0.000 0.445 455 Q N 0.515 120.303 119.800 -0.020 0.000 2.103 455 Q HA 0.198 4.537 4.340 -0.002 0.000 0.219 455 Q C -0.971 175.113 176.000 0.139 0.000 0.784 455 Q CA 0.022 55.894 55.803 0.115 0.000 1.014 455 Q CB 1.353 30.168 28.738 0.128 0.000 1.183 455 Q HN 0.797 nan 8.270 nan 0.000 0.469 456 Y N 0.470 120.686 120.300 -0.139 0.000 2.344 456 Y HA 0.381 4.930 4.550 -0.002 0.000 0.328 456 Y C -1.640 174.137 175.900 -0.205 0.000 1.067 456 Y CA -1.008 57.032 58.100 -0.099 0.000 1.247 456 Y CB 0.887 39.287 38.460 -0.099 0.000 1.113 456 Y HN -0.065 nan 8.280 nan 0.000 0.465 457 Y N 2.047 122.275 120.300 -0.120 0.000 2.549 457 Y HA 0.702 5.251 4.550 -0.002 0.000 0.339 457 Y C 0.045 175.889 175.900 -0.093 0.000 1.053 457 Y CA -0.768 57.280 58.100 -0.087 0.000 1.105 457 Y CB 2.363 40.745 38.460 -0.130 0.000 1.258 457 Y HN 0.486 nan 8.280 nan 0.000 0.478 458 S N 0.597 116.391 115.700 0.156 0.000 2.599 458 S HA 0.865 5.334 4.470 -0.002 0.000 0.287 458 S C -1.634 173.037 174.600 0.118 0.000 1.105 458 S CA -0.755 57.517 58.200 0.119 0.000 0.899 458 S CB 1.820 65.103 63.200 0.138 0.000 1.100 458 S HN 0.658 nan 8.310 nan 0.000 0.482 459 V N 0.483 120.463 119.914 0.110 0.000 3.078 459 V HA 0.899 5.018 4.120 -0.002 0.000 0.311 459 V C -1.171 175.001 176.094 0.129 0.000 1.138 459 V CA -0.307 62.030 62.300 0.061 0.000 1.007 459 V CB 2.333 34.111 31.823 -0.075 0.000 1.045 459 V HN 1.228 nan 8.190 nan 0.000 0.432 460 S N 4.225 119.984 115.700 0.099 0.000 2.789 460 S HA 0.653 5.122 4.470 -0.002 0.000 0.286 460 S C -1.234 173.517 174.600 0.252 0.000 1.153 460 S CA -0.407 57.957 58.200 0.274 0.000 1.084 460 S CB 0.354 63.763 63.200 0.348 0.000 1.036 460 S HN 0.498 nan 8.310 nan 0.000 0.484 461 F N 3.013 123.034 119.950 0.119 0.000 2.371 461 F HA 0.481 5.007 4.527 -0.002 0.000 0.329 461 F C 1.431 176.803 175.800 -0.714 0.000 1.107 461 F CA -0.304 57.589 58.000 -0.179 0.000 1.137 461 F CB 1.339 40.206 39.000 -0.222 0.000 1.214 461 F HN 0.628 nan 8.300 nan 0.000 0.536 462 S N 1.639 116.720 115.700 -1.031 0.000 2.634 462 S HA 0.204 4.673 4.470 -0.002 0.000 0.261 462 S C 1.201 175.529 174.600 -0.453 0.000 1.271 462 S CA -0.862 56.478 58.200 -1.433 0.000 0.985 462 S CB 0.854 63.243 63.200 -1.352 0.000 0.968 462 S HN 0.500 nan 8.310 nan 0.000 0.568 463 K N 1.020 121.286 120.400 -0.222 0.000 2.052 463 K HA -0.137 4.181 4.320 -0.002 0.000 0.215 463 K C 1.058 177.618 176.600 -0.068 0.000 1.053 463 K CA 1.747 58.000 56.287 -0.057 0.000 0.934 463 K CB -0.593 31.918 32.500 0.018 0.000 0.717 463 K HN 0.701 nan 8.250 nan 0.000 0.450 464 E N -0.719 119.410 120.200 -0.118 0.000 2.496 464 E HA 0.264 4.613 4.350 -0.002 0.000 0.202 464 E C -0.064 176.463 176.600 -0.122 0.000 1.021 464 E CA 0.129 56.474 56.400 -0.092 0.000 1.015 464 E CB 0.308 29.962 29.700 -0.077 0.000 1.102 464 E HN 0.257 nan 8.360 nan 0.000 0.452 465 A N 1.376 124.112 122.820 -0.141 0.000 2.822 465 A HA -0.315 4.004 4.320 -0.002 0.000 0.287 465 A C 1.479 179.006 177.584 -0.096 0.000 1.479 465 A CA 1.631 53.621 52.037 -0.077 0.000 0.779 465 A CB -2.045 16.788 19.000 -0.279 0.000 1.022 465 A HN 0.289 nan 8.150 nan 0.000 0.532 466 K N -1.858 118.399 120.400 -0.238 0.000 2.243 466 K HA 0.190 4.509 4.320 -0.002 0.000 0.201 466 K C -0.007 176.235 176.600 -0.597 0.000 1.051 466 K CA 1.182 57.214 56.287 -0.426 0.000 0.970 466 K CB 0.081 32.235 32.500 -0.577 0.000 0.755 466 K HN 0.653 nan 8.250 nan 0.000 0.465 467 Y N -0.958 119.231 120.300 -0.186 0.000 2.581 467 Y HA 0.328 4.877 4.550 -0.002 0.000 0.345 467 Y C -1.041 174.737 175.900 -0.204 0.000 1.036 467 Y CA -1.342 56.648 58.100 -0.183 0.000 1.042 467 Y CB 1.719 40.096 38.460 -0.139 0.000 1.289 467 Y HN -0.015 nan 8.280 nan 0.000 0.471 468 Y N -1.059 119.217 120.300 -0.039 0.000 2.552 468 Y HA 0.557 5.106 4.550 -0.002 0.000 0.337 468 Y C -1.360 174.546 175.900 0.010 0.000 1.094 468 Y CA -1.379 56.551 58.100 -0.284 0.000 1.028 468 Y CB 1.579 39.343 38.460 -1.160 0.000 1.321 468 Y HN 0.602 nan 8.280 nan 0.000 0.456 469 Q N 3.424 123.347 119.800 0.205 0.000 2.282 469 Q HA 0.605 4.944 4.340 -0.002 0.000 0.260 469 Q C -1.873 174.207 176.000 0.135 0.000 0.964 469 Q CA -0.807 55.080 55.803 0.139 0.000 0.880 469 Q CB 1.626 30.408 28.738 0.074 0.000 1.286 469 Q HN 0.966 nan 8.270 nan 0.000 0.445 470 L N 4.005 125.316 121.223 0.147 0.000 2.309 470 L HA 0.550 4.889 4.340 -0.002 0.000 0.282 470 L C -0.324 176.620 176.870 0.123 0.000 1.036 470 L CA -0.612 54.311 54.840 0.138 0.000 0.806 470 L CB 1.508 43.629 42.059 0.102 0.000 1.220 470 L HN 0.617 nan 8.230 nan 0.000 0.429 471 R N 2.426 122.982 120.500 0.094 0.000 2.310 471 R HA 0.292 4.631 4.340 -0.002 0.000 0.316 471 R C -0.973 175.182 176.300 -0.243 0.000 1.004 471 R CA -0.488 55.511 56.100 -0.168 0.000 0.900 471 R CB 1.483 31.754 30.300 -0.048 0.000 1.152 471 R HN 0.577 nan 8.270 nan 0.000 0.513 472 c N 2.868 121.182 118.600 -0.478 0.000 2.415 472 c HA 0.337 4.906 4.570 -0.002 0.000 0.369 472 c C 1.466 175.294 174.090 -0.436 0.000 1.279 472 c CA -0.250 55.674 56.329 -0.675 0.000 1.886 472 c CB -0.015 42.073 42.510 -0.704 0.000 2.468 472 c HN 0.957 nan 8.230 nan 0.000 0.553 473 S N 3.777 119.321 115.700 -0.260 0.000 2.730 473 S HA 0.610 5.079 4.470 -0.002 0.000 0.244 473 S C 0.327 174.875 174.600 -0.088 0.000 1.022 473 S CA 0.236 58.353 58.200 -0.138 0.000 1.014 473 S CB 0.009 63.175 63.200 -0.058 0.000 0.963 473 S HN 1.919 nan 8.310 nan 0.000 0.540 474 G N 1.829 110.559 108.800 -0.116 0.000 2.328 474 G HA2 0.378 4.337 3.960 -0.002 0.000 0.299 474 G HA3 0.378 4.337 3.960 -0.002 0.000 0.299 474 G C -3.005 171.865 174.900 -0.050 0.000 1.435 474 G CA -0.470 44.604 45.100 -0.043 0.000 0.865 474 G HN -0.126 nan 8.290 nan 0.000 0.601 475 P HA 0.115 nan 4.420 nan 0.000 0.229 475 P C 1.279 178.607 177.300 0.047 0.000 1.160 475 P CA 1.378 64.500 63.100 0.037 0.000 0.777 475 P CB 0.386 32.106 31.700 0.033 0.000 0.814 476 G N 0.424 109.185 108.800 -0.065 0.000 2.508 476 G HA2 0.398 4.357 3.960 -0.002 0.000 0.278 476 G HA3 0.398 4.357 3.960 -0.002 0.000 0.278 476 G C -0.248 174.411 174.900 -0.402 0.000 1.389 476 G CA -0.756 44.238 45.100 -0.178 0.000 1.050 476 G HN 0.038 nan 8.290 nan 0.000 0.522 477 L N 1.182 122.083 121.223 -0.536 0.000 2.456 477 L HA 0.147 4.486 4.340 -0.002 0.000 0.272 477 L C -1.873 174.788 176.870 -0.349 0.000 1.189 477 L CA -1.242 53.206 54.840 -0.653 0.000 0.846 477 L CB 0.645 42.424 42.059 -0.467 0.000 1.111 477 L HN 0.237 nan 8.230 nan 0.000 0.475 478 P HA -0.014 nan 4.420 nan 0.000 0.263 478 P C -0.892 176.299 177.300 -0.181 0.000 1.175 478 P CA 0.110 63.089 63.100 -0.201 0.000 0.761 478 P CB 0.482 32.159 31.700 -0.039 0.000 0.794 479 L N 5.665 126.694 121.223 -0.322 0.000 2.409 479 L HA 0.489 4.828 4.340 -0.002 0.000 0.272 479 L C -1.712 174.971 176.870 -0.311 0.000 0.980 479 L CA -0.724 54.000 54.840 -0.193 0.000 0.826 479 L CB 0.944 42.917 42.059 -0.143 0.000 1.268 479 L HN 0.218 nan 8.230 nan 0.000 0.407 480 Y N 2.813 123.067 120.300 -0.077 0.000 2.335 480 Y HA 0.756 5.305 4.550 -0.002 0.000 0.338 480 Y C 0.529 176.320 175.900 -0.181 0.000 0.977 480 Y CA -0.537 57.500 58.100 -0.105 0.000 1.114 480 Y CB 2.041 40.420 38.460 -0.134 0.000 1.182 480 Y HN 0.688 nan 8.280 nan 0.000 0.463 481 T N 0.969 115.526 114.554 0.005 0.000 2.901 481 T HA 0.727 5.076 4.350 -0.002 0.000 0.293 481 T C -1.228 173.403 174.700 -0.116 0.000 1.084 481 T CA -0.969 61.074 62.100 -0.096 0.000 1.008 481 T CB 1.678 70.530 68.868 -0.027 0.000 1.170 481 T HN 0.532 nan 8.240 nan 0.000 0.509 482 L N 1.440 122.467 121.223 -0.327 0.000 2.334 482 L HA 0.666 5.005 4.340 -0.002 0.000 0.276 482 L C -1.019 175.509 176.870 -0.571 0.000 1.014 482 L CA -0.822 53.855 54.840 -0.271 0.000 0.815 482 L CB 1.665 43.584 42.059 -0.232 0.000 1.268 482 L HN 0.891 nan 8.230 nan 0.000 0.428 483 H N -0.166 118.661 119.070 -0.404 0.000 2.980 483 H HA 0.408 4.963 4.556 -0.002 0.000 0.367 483 H C -0.701 174.400 175.328 -0.377 0.000 1.206 483 H CA -0.818 54.916 56.048 -0.524 0.000 1.126 483 H CB 1.945 31.104 29.762 -1.005 0.000 1.838 483 H HN 0.435 nan 8.280 nan 0.000 0.552 484 S N 0.025 115.692 115.700 -0.054 0.000 2.437 484 S HA 0.286 4.755 4.470 -0.002 0.000 0.305 484 S C 0.377 174.965 174.600 -0.020 0.000 1.109 484 S CA -0.714 57.496 58.200 0.018 0.000 1.099 484 S CB 1.640 64.889 63.200 0.082 0.000 1.004 484 S HN 0.562 nan 8.310 nan 0.000 0.475 485 S N 2.201 117.904 115.700 0.005 0.000 2.419 485 S HA -0.117 4.352 4.470 -0.002 0.000 0.233 485 S C 1.892 176.536 174.600 0.074 0.000 1.016 485 S CA 0.971 59.264 58.200 0.155 0.000 0.974 485 S CB -0.454 62.825 63.200 0.133 0.000 0.786 485 S HN 0.695 nan 8.310 nan 0.000 0.492 486 V N 2.335 122.245 119.914 -0.008 0.000 2.324 486 V HA -0.251 3.868 4.120 -0.002 0.000 0.250 486 V C 1.001 177.108 176.094 0.022 0.000 1.060 486 V CA 2.217 64.520 62.300 0.006 0.000 1.042 486 V CB -0.410 31.401 31.823 -0.020 0.000 0.650 486 V HN 0.572 nan 8.190 nan 0.000 0.450 487 N N -1.757 116.955 118.700 0.019 0.000 2.143 487 N HA 0.146 4.885 4.740 -0.002 0.000 0.222 487 N C -0.473 175.052 175.510 0.024 0.000 1.264 487 N CA 0.424 53.483 53.050 0.016 0.000 0.897 487 N CB 0.764 39.258 38.487 0.012 0.000 1.092 487 N HN 0.323 nan 8.380 nan 0.000 0.516 488 D N 1.156 121.592 120.400 0.059 0.000 2.800 488 D HA -0.151 4.488 4.640 -0.002 0.000 0.232 488 D C -0.538 175.804 176.300 0.069 0.000 1.137 488 D CA 1.063 55.125 54.000 0.103 0.000 0.718 488 D CB -0.895 39.950 40.800 0.074 0.000 1.084 488 D HN 0.394 nan 8.370 nan 0.000 0.432 489 K N 0.350 120.769 120.400 0.031 0.000 2.298 489 K HA 0.400 4.718 4.320 -0.002 0.000 0.280 489 K C 1.069 177.641 176.600 -0.045 0.000 1.032 489 K CA -0.017 56.271 56.287 0.002 0.000 0.958 489 K CB 0.980 33.473 32.500 -0.010 0.000 0.978 489 K HN 0.110 nan 8.250 nan 0.000 0.472 490 G N 2.876 111.621 108.800 -0.091 0.000 2.358 490 G HA2 0.160 4.119 3.960 -0.002 0.000 0.273 490 G HA3 0.160 4.119 3.960 -0.002 0.000 0.273 490 G C 0.763 175.501 174.900 -0.271 0.000 1.215 490 G CA -0.409 44.497 45.100 -0.324 0.000 0.910 490 G HN 0.575 nan 8.290 nan 0.000 0.467 491 L N 1.804 122.824 121.223 -0.339 0.000 2.127 491 L HA 0.285 4.624 4.340 -0.002 0.000 0.203 491 L C 1.554 178.309 176.870 -0.192 0.000 1.080 491 L CA 0.816 55.533 54.840 -0.205 0.000 0.768 491 L CB -0.211 41.739 42.059 -0.182 0.000 0.924 491 L HN 0.770 nan 8.230 nan 0.000 0.444 492 R N -2.500 117.845 120.500 -0.258 0.000 3.033 492 R HA 0.338 4.677 4.340 -0.002 0.000 0.284 492 R C -1.608 174.549 176.300 -0.238 0.000 0.997 492 R CA -0.944 55.035 56.100 -0.202 0.000 0.851 492 R CB 0.959 31.170 30.300 -0.149 0.000 1.297 492 R HN -0.298 nan 8.270 nan 0.000 0.518 493 V N 2.668 122.472 119.914 -0.184 0.000 2.498 493 V HA 0.181 4.300 4.120 -0.002 0.000 0.279 493 V C 1.258 177.207 176.094 -0.242 0.000 1.048 493 V CA -0.336 61.858 62.300 -0.178 0.000 0.967 493 V CB 1.181 32.938 31.823 -0.111 0.000 0.988 493 V HN 0.636 nan 8.190 nan 0.000 0.473 494 L N 2.326 123.341 121.223 -0.347 0.000 2.221 494 L HA 0.318 4.657 4.340 -0.002 0.000 0.202 494 L C 0.674 177.316 176.870 -0.381 0.000 1.074 494 L CA 0.641 55.089 54.840 -0.654 0.000 0.795 494 L CB 0.252 41.521 42.059 -1.315 0.000 0.960 494 L HN 0.704 nan 8.230 nan 0.000 0.458 495 E N -0.087 120.024 120.200 -0.148 0.000 2.343 495 E HA 0.112 4.461 4.350 -0.002 0.000 0.286 495 E C -1.327 175.330 176.600 0.095 0.000 0.915 495 E CA -0.387 56.028 56.400 0.025 0.000 0.784 495 E CB 1.220 30.962 29.700 0.070 0.000 1.251 495 E HN 0.160 nan 8.360 nan 0.000 0.407 496 D N 2.926 123.354 120.400 0.047 0.000 2.503 496 D HA 0.152 4.791 4.640 -0.002 0.000 0.218 496 D C -0.392 175.915 176.300 0.011 0.000 1.183 496 D CA -0.314 53.698 54.000 0.020 0.000 0.827 496 D CB -0.090 40.701 40.800 -0.014 0.000 1.034 496 D HN 0.445 nan 8.370 nan 0.000 0.510 497 N N 0.714 119.440 118.700 0.042 0.000 2.716 497 N HA -0.212 4.527 4.740 -0.002 0.000 0.250 497 N C 0.936 176.448 175.510 0.002 0.000 1.033 497 N CA 0.932 53.999 53.050 0.028 0.000 0.727 497 N CB -1.149 37.343 38.487 0.008 0.000 0.950 497 N HN 0.516 nan 8.380 nan 0.000 0.541 498 S N -1.191 114.514 115.700 0.008 0.000 2.402 498 S HA 0.008 4.477 4.470 -0.002 0.000 0.229 498 S C 2.090 176.701 174.600 0.018 0.000 1.021 498 S CA 0.778 58.980 58.200 0.003 0.000 0.974 498 S CB -0.058 63.145 63.200 0.004 0.000 0.800 498 S HN 0.503 nan 8.310 nan 0.000 0.484 499 A N 2.005 124.845 122.820 0.034 0.000 1.902 499 A HA 0.062 4.381 4.320 -0.002 0.000 0.217 499 A C 2.224 179.848 177.584 0.067 0.000 1.181 499 A CA 1.609 53.676 52.037 0.050 0.000 0.623 499 A CB -0.890 18.143 19.000 0.057 0.000 0.818 499 A HN 0.525 nan 8.150 nan 0.000 0.443 500 L N 0.177 121.441 121.223 0.068 0.000 2.141 500 L HA -0.105 4.234 4.340 -0.002 0.000 0.209 500 L C 1.819 178.716 176.870 0.046 0.000 1.094 500 L CA 2.638 57.533 54.840 0.092 0.000 0.763 500 L CB -0.605 41.507 42.059 0.089 0.000 0.908 500 L HN 0.503 nan 8.230 nan 0.000 0.437 501 D N -0.955 119.448 120.400 0.005 0.000 2.097 501 D HA -0.196 4.443 4.640 -0.002 0.000 0.197 501 D C 1.983 178.283 176.300 0.001 0.000 0.984 501 D CA 1.127 55.114 54.000 -0.022 0.000 0.826 501 D CB 0.145 40.923 40.800 -0.037 0.000 0.973 501 D HN 0.094 nan 8.370 nan 0.000 0.460 502 K N -0.024 120.389 120.400 0.021 0.000 2.057 502 K HA -0.127 4.192 4.320 -0.002 0.000 0.207 502 K C 2.230 178.860 176.600 0.050 0.000 1.049 502 K CA 0.781 57.087 56.287 0.032 0.000 0.931 502 K CB -0.572 31.951 32.500 0.038 0.000 0.714 502 K HN 0.363 nan 8.250 nan 0.000 0.440 503 M N 0.396 120.045 119.600 0.081 0.000 2.086 503 M HA -0.113 4.366 4.480 -0.002 0.000 0.261 503 M C 1.971 178.307 176.300 0.060 0.000 1.067 503 M CA 1.375 56.758 55.300 0.138 0.000 1.116 503 M CB -0.075 32.681 32.600 0.261 0.000 1.348 503 M HN 0.017 nan 8.290 nan 0.000 0.407 504 L N 0.046 121.251 121.223 -0.030 0.000 2.362 504 L HA -0.182 4.157 4.340 -0.002 0.000 0.219 504 L C 2.357 179.189 176.870 -0.064 0.000 1.134 504 L CA 0.721 55.483 54.840 -0.130 0.000 0.807 504 L CB -0.633 41.355 42.059 -0.118 0.000 0.927 504 L HN 0.492 nan 8.230 nan 0.000 0.447 505 Q N -1.082 118.707 119.800 -0.019 0.000 2.482 505 Q HA -0.070 4.269 4.340 -0.002 0.000 0.209 505 Q C 0.750 176.757 176.000 0.013 0.000 0.961 505 Q CA 0.644 56.444 55.803 -0.005 0.000 0.945 505 Q CB -0.140 28.600 28.738 0.004 0.000 1.012 505 Q HN 0.482 nan 8.270 nan 0.000 0.515 506 N N 0.766 119.480 118.700 0.024 0.000 2.214 506 N HA 0.128 4.867 4.740 -0.002 0.000 0.214 506 N C -0.884 174.658 175.510 0.054 0.000 1.132 506 N CA 0.124 53.204 53.050 0.049 0.000 0.856 506 N CB 1.822 40.355 38.487 0.076 0.000 1.020 506 N HN 0.098 nan 8.380 nan 0.000 0.509 507 V N 0.880 120.805 119.914 0.018 0.000 2.841 507 V HA 0.237 4.356 4.120 -0.002 0.000 0.310 507 V C -1.013 175.082 176.094 0.002 0.000 1.090 507 V CA -0.733 61.582 62.300 0.024 0.000 0.930 507 V CB 2.354 34.168 31.823 -0.014 0.000 1.014 507 V HN 0.000 nan 8.190 nan 0.000 0.425 508 Q N 6.384 126.198 119.800 0.023 0.000 2.489 508 Q HA 0.297 4.636 4.340 -0.002 0.000 0.231 508 Q C -0.390 175.584 176.000 -0.042 0.000 1.273 508 Q CA -0.070 55.717 55.803 -0.027 0.000 0.898 508 Q CB 0.437 29.174 28.738 -0.002 0.000 1.545 508 Q HN 0.583 nan 8.270 nan 0.000 0.538 509 M N 3.815 123.372 119.600 -0.071 0.000 2.250 509 M HA 0.351 4.830 4.480 -0.002 0.000 0.344 509 M C -1.938 174.295 176.300 -0.110 0.000 1.150 509 M CA -2.450 52.800 55.300 -0.084 0.000 1.147 509 M CB 0.111 32.660 32.600 -0.085 0.000 1.498 509 M HN 0.303 nan 8.290 nan 0.000 0.461 510 P HA 0.247 nan 4.420 nan 0.000 0.276 510 P C -0.842 176.377 177.300 -0.136 0.000 1.261 510 P CA -0.342 62.675 63.100 -0.138 0.000 0.800 510 P CB 0.671 32.279 31.700 -0.153 0.000 1.066 511 S N -0.737 114.871 115.700 -0.154 0.000 2.648 511 S HA 0.615 5.084 4.470 -0.002 0.000 0.305 511 S C -0.575 173.929 174.600 -0.160 0.000 1.094 511 S CA -0.814 57.305 58.200 -0.135 0.000 0.983 511 S CB 1.843 64.964 63.200 -0.131 0.000 1.101 511 S HN 0.507 nan 8.310 nan 0.000 0.514 512 K N 0.584 120.912 120.400 -0.120 0.000 2.376 512 K HA 0.422 4.741 4.320 -0.002 0.000 0.257 512 K C -1.275 175.265 176.600 -0.099 0.000 0.939 512 K CA -0.533 55.687 56.287 -0.112 0.000 0.809 512 K CB 1.310 33.764 32.500 -0.076 0.000 1.121 512 K HN 0.729 nan 8.250 nan 0.000 0.425 513 K N 5.712 126.043 120.400 -0.116 0.000 2.307 513 K HA 0.325 4.643 4.320 -0.002 0.000 0.263 513 K C -1.387 175.167 176.600 -0.078 0.000 0.973 513 K CA -0.673 55.556 56.287 -0.098 0.000 0.846 513 K CB 0.977 33.395 32.500 -0.136 0.000 1.100 513 K HN 0.564 nan 8.250 nan 0.000 0.438 514 L N 4.544 125.741 121.223 -0.043 0.000 2.319 514 L HA 0.450 4.789 4.340 -0.002 0.000 0.281 514 L C -1.200 175.675 176.870 0.008 0.000 1.005 514 L CA -0.194 54.653 54.840 0.012 0.000 0.828 514 L CB 1.310 43.441 42.059 0.120 0.000 1.227 514 L HN 0.886 nan 8.230 nan 0.000 0.415 515 D N 2.964 123.212 120.400 -0.254 0.000 2.838 515 D HA 0.506 5.145 4.640 -0.002 0.000 0.334 515 D C -1.523 174.456 176.300 -0.536 0.000 1.315 515 D CA 0.002 53.784 54.000 -0.363 0.000 0.917 515 D CB 1.897 42.448 40.800 -0.415 0.000 1.435 515 D HN 0.208 nan 8.370 nan 0.000 0.517 516 F N -0.302 119.329 119.950 -0.532 0.000 2.643 516 F HA 0.734 5.260 4.527 -0.002 0.000 0.314 516 F C -0.782 175.096 175.800 0.130 0.000 1.096 516 F CA -1.031 56.771 58.000 -0.330 0.000 0.953 516 F CB 0.788 39.114 39.000 -1.122 0.000 1.345 516 F HN 0.355 nan 8.300 nan 0.000 0.468 517 I N -0.553 120.273 120.570 0.428 0.000 3.264 517 I HA 0.743 4.912 4.170 -0.002 0.000 0.309 517 I C -1.446 174.910 176.117 0.398 0.000 1.099 517 I CA -1.405 60.072 61.300 0.294 0.000 0.989 517 I CB 2.559 40.713 38.000 0.256 0.000 1.250 517 I HN 0.646 nan 8.210 nan 0.000 0.478 518 I N 3.056 123.792 120.570 0.276 0.000 2.439 518 I HA 0.370 4.539 4.170 -0.002 0.000 0.283 518 I C -0.931 175.330 176.117 0.241 0.000 1.023 518 I CA -0.359 61.110 61.300 0.282 0.000 1.100 518 I CB 1.755 39.878 38.000 0.205 0.000 1.238 518 I HN 0.358 nan 8.210 nan 0.000 0.445 519 L N 7.002 128.441 121.223 0.359 0.000 2.282 519 L HA 0.373 4.712 4.340 -0.002 0.000 0.288 519 L C 0.107 177.112 176.870 0.225 0.000 1.033 519 L CA -0.929 54.058 54.840 0.245 0.000 0.807 519 L CB 1.010 43.188 42.059 0.199 0.000 1.209 519 L HN 0.718 nan 8.230 nan 0.000 0.423 520 N N 4.581 123.352 118.700 0.118 0.000 2.913 520 N HA -0.287 4.452 4.740 -0.002 0.000 0.305 520 N C 0.226 175.792 175.510 0.094 0.000 1.084 520 N CA 0.864 53.964 53.050 0.083 0.000 0.811 520 N CB -0.458 38.058 38.487 0.048 0.000 0.984 520 N HN 0.836 nan 8.380 nan 0.000 0.605 521 E N -3.307 116.942 120.200 0.082 0.000 4.851 521 E HA -0.188 4.161 4.350 -0.002 0.000 0.191 521 E C -0.273 176.356 176.600 0.049 0.000 0.953 521 E CA 2.104 58.539 56.400 0.059 0.000 2.275 521 E CB -1.567 28.156 29.700 0.038 0.000 1.723 521 E HN 0.758 nan 8.360 nan 0.000 0.514 522 T N 2.987 117.584 114.554 0.072 0.000 2.907 522 T HA 0.418 4.767 4.350 -0.002 0.000 0.284 522 T C 0.312 174.965 174.700 -0.079 0.000 1.004 522 T CA -0.546 61.517 62.100 -0.062 0.000 1.063 522 T CB 1.703 70.462 68.868 -0.181 0.000 0.992 522 T HN 0.135 nan 8.240 nan 0.000 0.483 523 K N 1.921 122.176 120.400 -0.242 0.000 2.156 523 K HA 0.538 4.857 4.320 -0.002 0.000 0.271 523 K C -1.478 174.908 176.600 -0.355 0.000 0.995 523 K CA -0.559 55.642 56.287 -0.145 0.000 0.890 523 K CB 0.832 33.114 32.500 -0.364 0.000 1.073 523 K HN 0.389 nan 8.250 nan 0.000 0.454 524 F N 1.658 121.707 119.950 0.164 0.000 2.518 524 F HA 0.330 4.856 4.527 -0.002 0.000 0.323 524 F C -0.709 175.222 175.800 0.219 0.000 1.129 524 F CA -0.775 57.319 58.000 0.156 0.000 0.920 524 F CB 1.060 40.130 39.000 0.117 0.000 1.160 524 F HN 0.538 nan 8.300 nan 0.000 0.440 525 W N 3.510 124.968 121.300 0.262 0.000 2.184 525 W HA 0.471 5.131 4.660 -0.001 0.000 0.338 525 W C -0.475 176.271 176.519 0.378 0.000 1.257 525 W CA -0.415 57.111 57.345 0.301 0.000 1.243 525 W CB 0.328 29.881 29.460 0.155 0.000 1.122 525 W HN 0.461 nan 8.180 nan 0.000 0.585 526 Y N -0.727 119.926 120.300 0.589 0.000 2.625 526 Y HA 0.620 5.170 4.550 -0.001 0.000 0.338 526 Y C -1.094 175.035 175.900 0.382 0.000 1.123 526 Y CA -1.924 56.509 58.100 0.555 0.000 1.046 526 Y CB 1.051 39.995 38.460 0.807 0.000 1.299 526 Y HN 0.567 nan 8.280 nan 0.000 0.464 527 Q N 2.267 122.306 119.800 0.398 0.000 2.421 527 Q HA 0.786 5.125 4.340 -0.002 0.000 0.280 527 Q C -1.827 174.286 176.000 0.189 0.000 1.085 527 Q CA -1.195 54.714 55.803 0.176 0.000 0.807 527 Q CB 3.401 32.214 28.738 0.125 0.000 1.405 527 Q HN 0.847 nan 8.270 nan 0.000 0.419 528 M N 2.522 122.154 119.600 0.052 0.000 2.267 528 M HA 0.419 4.898 4.480 -0.002 0.000 0.289 528 M C -1.202 175.019 176.300 -0.132 0.000 1.043 528 M CA -0.902 54.368 55.300 -0.051 0.000 0.928 528 M CB 2.195 34.717 32.600 -0.130 0.000 1.613 528 M HN 0.597 nan 8.290 nan 0.000 0.450 529 I N 5.146 125.643 120.570 -0.123 0.000 2.308 529 I HA 0.286 4.455 4.170 -0.002 0.000 0.293 529 I C -0.275 175.701 176.117 -0.235 0.000 1.078 529 I CA -0.128 61.076 61.300 -0.159 0.000 1.292 529 I CB -0.197 37.730 38.000 -0.121 0.000 1.423 529 I HN 0.648 nan 8.210 nan 0.000 0.493 530 L N 8.507 129.538 121.223 -0.321 0.000 2.312 530 L HA 0.397 4.736 4.340 -0.002 0.000 0.281 530 L C -2.105 174.601 176.870 -0.275 0.000 1.070 530 L CA -1.743 52.824 54.840 -0.455 0.000 0.805 530 L CB 0.869 42.477 42.059 -0.752 0.000 1.174 530 L HN 0.251 nan 8.230 nan 0.000 0.434 531 P HA 0.084 nan 4.420 nan 0.000 0.269 531 P C -2.481 174.798 177.300 -0.036 0.000 1.217 531 P CA -0.866 62.193 63.100 -0.068 0.000 0.783 531 P CB -0.068 31.659 31.700 0.045 0.000 0.898 532 P HA 0.027 nan 4.420 nan 0.000 0.269 532 P C -0.608 176.640 177.300 -0.087 0.000 1.209 532 P CA 0.429 63.417 63.100 -0.186 0.000 0.776 532 P CB -0.223 31.314 31.700 -0.273 0.000 0.876 533 H N -1.616 117.495 119.070 0.068 0.000 2.839 533 H HA -0.213 4.342 4.556 -0.002 0.000 0.298 533 H C -0.011 175.381 175.328 0.108 0.000 1.224 533 H CA -0.365 55.726 56.048 0.071 0.000 1.144 533 H CB -2.257 27.537 29.762 0.054 0.000 1.372 533 H HN 0.318 nan 8.280 nan 0.000 0.408 534 F N 2.245 122.202 119.950 0.011 0.000 2.629 534 F HA 0.078 4.604 4.527 -0.002 0.000 0.377 534 F C 0.614 176.431 175.800 0.028 0.000 1.101 534 F CA 0.154 58.116 58.000 -0.064 0.000 1.301 534 F CB 0.514 39.364 39.000 -0.250 0.000 1.062 534 F HN 0.288 nan 8.300 nan 0.000 0.583 535 D N 5.836 125.863 120.400 -0.621 0.000 2.420 535 D HA 0.116 4.755 4.640 -0.002 0.000 0.255 535 D C 0.598 176.500 176.300 -0.663 0.000 1.185 535 D CA -0.550 53.189 54.000 -0.436 0.000 0.904 535 D CB 0.873 41.589 40.800 -0.140 0.000 1.102 535 D HN 0.679 nan 8.370 nan 0.000 0.534 536 K N 1.032 121.019 120.400 -0.689 0.000 2.442 536 K HA -0.146 4.173 4.320 -0.002 0.000 0.200 536 K C 1.300 177.885 176.600 -0.025 0.000 1.045 536 K CA 1.046 57.140 56.287 -0.322 0.000 0.937 536 K CB 0.102 32.593 32.500 -0.014 0.000 0.757 536 K HN 0.105 nan 8.250 nan 0.000 0.474 537 S N 0.178 115.829 115.700 -0.081 0.000 2.446 537 S HA 0.024 4.493 4.470 -0.002 0.000 0.225 537 S C 0.638 175.218 174.600 -0.033 0.000 1.016 537 S CA -0.001 58.181 58.200 -0.030 0.000 0.943 537 S CB 0.063 63.234 63.200 -0.049 0.000 0.786 537 S HN 0.360 nan 8.310 nan 0.000 0.508 538 K N 1.209 121.566 120.400 -0.071 0.000 2.138 538 K HA 0.215 4.534 4.320 -0.002 0.000 0.251 538 K C -0.639 175.926 176.600 -0.058 0.000 1.015 538 K CA -0.144 56.047 56.287 -0.161 0.000 0.917 538 K CB 0.465 32.726 32.500 -0.399 0.000 1.021 538 K HN 0.032 nan 8.250 nan 0.000 0.485 539 K N 3.041 123.345 120.400 -0.161 0.000 2.389 539 K HA 0.195 4.514 4.320 -0.002 0.000 0.261 539 K C -1.327 175.215 176.600 -0.097 0.000 1.014 539 K CA -0.488 55.786 56.287 -0.021 0.000 0.920 539 K CB 0.830 33.300 32.500 -0.049 0.000 1.149 539 K HN 0.373 nan 8.250 nan 0.000 0.444 540 Y N 2.771 123.099 120.300 0.045 0.000 2.376 540 Y HA 0.287 4.836 4.550 -0.002 0.000 0.325 540 Y C -1.867 173.968 175.900 -0.107 0.000 1.199 540 Y CA -2.702 55.396 58.100 -0.003 0.000 1.206 540 Y CB 0.294 38.811 38.460 0.095 0.000 1.229 540 Y HN 0.455 nan 8.280 nan 0.000 0.480 541 P HA 0.245 nan 4.420 nan 0.000 0.277 541 P C -1.143 175.976 177.300 -0.303 0.000 1.240 541 P CA -0.265 62.527 63.100 -0.512 0.000 0.798 541 P CB 1.730 32.740 31.700 -1.149 0.000 0.979 542 L N 2.651 123.748 121.223 -0.210 0.000 2.381 542 L HA 0.546 4.885 4.340 -0.002 0.000 0.268 542 L C -1.240 175.824 176.870 0.324 0.000 0.997 542 L CA -1.092 53.792 54.840 0.075 0.000 0.818 542 L CB 1.779 43.892 42.059 0.089 0.000 1.310 542 L HN 0.256 nan 8.230 nan 0.000 0.416 543 L N 5.461 126.896 121.223 0.352 0.000 2.319 543 L HA 0.416 4.755 4.340 -0.002 0.000 0.281 543 L C -1.192 175.930 176.870 0.419 0.000 1.005 543 L CA -0.874 54.235 54.840 0.447 0.000 0.828 543 L CB 1.778 44.058 42.059 0.369 0.000 1.227 543 L HN 0.598 nan 8.230 nan 0.000 0.415 544 L N 5.271 126.787 121.223 0.489 0.000 2.295 544 L HA 0.282 4.621 4.340 -0.002 0.000 0.288 544 L C -0.133 176.989 176.870 0.420 0.000 1.079 544 L CA 0.076 55.190 54.840 0.456 0.000 0.830 544 L CB 0.620 42.989 42.059 0.515 0.000 1.200 544 L HN 0.460 nan 8.230 nan 0.000 0.438 545 D N 4.345 124.974 120.400 0.382 0.000 2.336 545 D HA 0.197 4.836 4.640 -0.002 0.000 0.249 545 D C -0.927 175.464 176.300 0.152 0.000 1.213 545 D CA 0.165 54.316 54.000 0.251 0.000 0.870 545 D CB 1.182 42.196 40.800 0.357 0.000 1.076 545 D HN 0.315 nan 8.370 nan 0.000 0.483 546 V N 5.534 125.460 119.914 0.019 0.000 2.823 546 V HA 0.433 4.552 4.120 -0.002 0.000 0.312 546 V C -1.025 175.165 176.094 0.159 0.000 1.072 546 V CA -0.476 61.900 62.300 0.127 0.000 0.937 546 V CB 1.810 33.714 31.823 0.136 0.000 1.013 546 V HN 0.647 nan 8.190 nan 0.000 0.430 547 Y N 4.908 125.282 120.300 0.123 0.000 3.183 547 Y HA 0.575 5.124 4.550 -0.002 0.000 0.200 547 Y C 1.561 177.609 175.900 0.247 0.000 0.912 547 Y CA 1.485 59.687 58.100 0.170 0.000 1.642 547 Y CB 0.094 38.636 38.460 0.137 0.000 1.447 547 Y HN 1.149 nan 8.280 nan 0.000 0.421 548 A N 0.702 123.630 122.820 0.180 0.000 2.979 548 A HA -0.160 4.159 4.320 -0.002 0.000 0.260 548 A C 1.041 178.468 177.584 -0.262 0.000 1.282 548 A CA 0.990 53.072 52.037 0.074 0.000 0.971 548 A CB -2.489 16.617 19.000 0.176 0.000 1.124 548 A HN 0.981 nan 8.150 nan 0.000 0.826 549 G N -0.355 108.027 108.800 -0.697 0.000 2.667 549 G HA2 0.466 4.425 3.960 -0.002 0.000 0.250 549 G HA3 0.466 4.425 3.960 -0.002 0.000 0.250 549 G C -1.790 172.773 174.900 -0.562 0.000 1.212 549 G CA -0.460 43.842 45.100 -1.331 0.000 0.874 549 G HN 0.448 nan 8.290 nan 0.000 0.561 550 P HA 0.043 nan 4.420 nan 0.000 0.267 550 P C 0.522 177.670 177.300 -0.253 0.000 1.209 550 P CA 0.241 63.057 63.100 -0.474 0.000 0.763 550 P CB 0.742 31.792 31.700 -1.084 0.000 0.816 551 C N 2.440 121.667 119.300 -0.121 0.000 4.507 551 C HA -0.131 4.328 4.460 -0.002 0.000 0.285 551 C C 0.929 175.950 174.990 0.052 0.000 1.335 551 C CA 1.074 59.998 59.018 -0.156 0.000 1.953 551 C CB -2.618 24.896 27.740 -0.376 0.000 1.262 551 C HN 0.815 nan 8.230 nan 0.000 0.776 552 S N 0.015 115.806 115.700 0.151 0.000 2.672 552 S HA 0.683 5.152 4.470 -0.002 0.000 0.276 552 S C -0.703 174.075 174.600 0.296 0.000 1.207 552 S CA -0.086 58.302 58.200 0.314 0.000 1.002 552 S CB 1.817 65.277 63.200 0.433 0.000 0.998 552 S HN 0.804 nan 8.310 nan 0.000 0.542 553 Q N -0.037 119.959 119.800 0.326 0.000 2.309 553 Q HA 0.357 4.696 4.340 -0.002 0.000 0.254 553 Q C -0.836 175.294 176.000 0.217 0.000 0.938 553 Q CA -0.555 55.421 55.803 0.289 0.000 0.789 553 Q CB 1.069 30.022 28.738 0.358 0.000 1.313 553 Q HN 0.693 nan 8.270 nan 0.000 0.438 554 K N 0.974 121.501 120.400 0.212 0.000 2.374 554 K HA 0.347 4.666 4.320 -0.002 0.000 0.202 554 K C -0.495 176.214 176.600 0.181 0.000 1.040 554 K CA 0.224 56.625 56.287 0.190 0.000 1.085 554 K CB 1.607 34.248 32.500 0.236 0.000 0.873 554 K HN 0.475 nan 8.250 nan 0.000 0.539 555 A N 2.634 125.568 122.820 0.189 0.000 2.328 555 A HA 0.453 4.772 4.320 -0.002 0.000 0.318 555 A C -0.865 176.787 177.584 0.113 0.000 1.347 555 A CA -0.561 51.590 52.037 0.189 0.000 0.842 555 A CB 0.178 19.353 19.000 0.291 0.000 1.148 555 A HN 0.228 nan 8.150 nan 0.000 0.499 556 D N -0.141 120.297 120.400 0.064 0.000 2.752 556 D HA 0.458 5.097 4.640 -0.002 0.000 0.313 556 D C 0.391 176.691 176.300 -0.001 0.000 1.225 556 D CA 0.264 54.282 54.000 0.030 0.000 0.976 556 D CB 0.382 41.190 40.800 0.013 0.000 1.443 556 D HN 0.155 nan 8.370 nan 0.000 0.515 557 T N -2.268 112.293 114.554 0.012 0.000 3.223 557 T HA 0.338 4.687 4.350 -0.002 0.000 0.259 557 T C 0.286 174.932 174.700 -0.089 0.000 1.015 557 T CA -0.423 61.681 62.100 0.007 0.000 0.908 557 T CB -0.747 68.174 68.868 0.088 0.000 1.054 557 T HN 0.263 nan 8.240 nan 0.000 0.567 558 V N 2.535 122.291 119.914 -0.262 0.000 2.614 558 V HA 0.349 4.468 4.120 -0.002 0.000 0.291 558 V C 0.106 176.133 176.094 -0.113 0.000 1.049 558 V CA -1.016 61.093 62.300 -0.319 0.000 1.038 558 V CB 0.185 31.699 31.823 -0.514 0.000 0.980 558 V HN 0.579 nan 8.190 nan 0.000 0.481 559 F N 6.351 126.198 119.950 -0.173 0.000 2.427 559 F HA 0.584 5.110 4.527 -0.002 0.000 0.352 559 F C 0.473 176.215 175.800 -0.098 0.000 1.100 559 F CA -0.139 57.789 58.000 -0.120 0.000 1.191 559 F CB 0.289 39.227 39.000 -0.104 0.000 1.128 559 F HN 0.437 nan 8.300 nan 0.000 0.533 560 R N 5.463 125.452 120.500 -0.852 0.000 2.698 560 R HA 0.577 4.916 4.340 -0.002 0.000 0.275 560 R C -2.017 173.855 176.300 -0.714 0.000 1.001 560 R CA -1.244 54.505 56.100 -0.585 0.000 0.896 560 R CB 1.938 32.074 30.300 -0.273 0.000 1.218 560 R HN 0.475 nan 8.270 nan 0.000 0.462 561 L N 3.779 124.778 121.223 -0.374 0.000 2.366 561 L HA 0.357 4.696 4.340 -0.002 0.000 0.266 561 L C -0.863 176.002 176.870 -0.008 0.000 1.010 561 L CA -0.448 54.227 54.840 -0.274 0.000 0.879 561 L CB 0.528 42.551 42.059 -0.060 0.000 1.228 561 L HN 0.745 nan 8.230 nan 0.000 0.439 562 N N 0.109 118.741 118.700 -0.113 0.000 3.479 562 N HA 0.206 4.945 4.740 -0.002 0.000 0.336 562 N C 0.502 175.702 175.510 -0.516 0.000 1.623 562 N CA -0.789 52.132 53.050 -0.215 0.000 0.759 562 N CB -0.073 38.379 38.487 -0.058 0.000 2.016 562 N HN 0.199 nan 8.380 nan 0.000 0.637 563 W N 0.553 121.261 121.300 -0.986 0.000 2.338 563 W HA 0.134 4.793 4.660 -0.002 0.000 0.304 563 W C 2.078 178.539 176.519 -0.095 0.000 1.212 563 W CA 2.810 59.793 57.345 -0.603 0.000 1.264 563 W CB -1.009 28.249 29.460 -0.337 0.000 1.142 563 W HN 0.689 nan 8.180 nan 0.000 0.512 564 A N -0.580 122.218 122.820 -0.037 0.000 1.940 564 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 564 A C 1.947 179.431 177.584 -0.166 0.000 1.176 564 A CA 2.481 54.441 52.037 -0.127 0.000 0.631 564 A CB -1.277 17.733 19.000 0.016 0.000 0.814 564 A HN 0.297 nan 8.150 nan 0.000 0.446 565 T N -1.230 113.239 114.554 -0.142 0.000 2.684 565 T HA -0.203 4.146 4.350 -0.002 0.000 0.267 565 T C 1.811 176.526 174.700 0.024 0.000 1.036 565 T CA 1.765 63.760 62.100 -0.176 0.000 1.148 565 T CB -0.486 68.114 68.868 -0.447 0.000 0.863 565 T HN 0.679 nan 8.240 nan 0.000 0.436 566 Y N 2.138 122.506 120.300 0.112 0.000 2.145 566 Y HA -0.056 4.493 4.550 -0.002 0.000 0.286 566 Y C 1.988 177.864 175.900 -0.039 0.000 1.145 566 Y CA 0.972 59.170 58.100 0.163 0.000 1.148 566 Y CB -0.831 37.705 38.460 0.127 0.000 0.981 566 Y HN 0.118 nan 8.280 nan 0.000 0.507 567 L N 0.165 120.938 121.223 -0.750 0.000 2.081 567 L HA -0.260 4.079 4.340 -0.002 0.000 0.212 567 L C 2.770 179.377 176.870 -0.438 0.000 1.080 567 L CA 1.430 55.776 54.840 -0.823 0.000 0.754 567 L CB -0.990 40.642 42.059 -0.712 0.000 0.893 567 L HN 0.448 nan 8.230 nan 0.000 0.433 568 A N -1.341 121.312 122.820 -0.279 0.000 1.878 568 A HA -0.150 4.169 4.320 -0.002 0.000 0.213 568 A C 2.499 180.017 177.584 -0.110 0.000 1.192 568 A CA 1.499 53.437 52.037 -0.165 0.000 0.619 568 A CB -0.568 18.338 19.000 -0.157 0.000 0.837 568 A HN 0.310 nan 8.150 nan 0.000 0.446 569 S N -0.876 114.775 115.700 -0.083 0.000 2.348 569 S HA -0.130 4.339 4.470 -0.002 0.000 0.221 569 S C 1.990 176.600 174.600 0.016 0.000 1.033 569 S CA 2.366 60.565 58.200 -0.003 0.000 1.010 569 S CB -0.429 62.827 63.200 0.094 0.000 0.891 569 S HN 0.575 nan 8.310 nan 0.000 0.442 570 T N 1.170 115.710 114.554 -0.022 0.000 3.010 570 T HA 0.178 4.527 4.350 -0.002 0.000 0.252 570 T C 1.357 176.021 174.700 -0.060 0.000 1.047 570 T CA 0.575 62.679 62.100 0.007 0.000 1.140 570 T CB -0.069 68.883 68.868 0.141 0.000 0.885 570 T HN 0.331 nan 8.240 nan 0.000 0.464 571 E N 1.175 121.250 120.200 -0.208 0.000 2.474 571 E HA 0.172 4.521 4.350 -0.002 0.000 0.195 571 E C -0.061 176.517 176.600 -0.038 0.000 1.039 571 E CA -0.080 56.240 56.400 -0.133 0.000 0.881 571 E CB -0.229 29.325 29.700 -0.243 0.000 0.970 571 E HN 0.535 nan 8.360 nan 0.000 0.486 572 N N 0.733 119.424 118.700 -0.015 0.000 2.740 572 N HA -0.187 4.552 4.740 -0.002 0.000 0.248 572 N C -0.802 174.789 175.510 0.134 0.000 1.062 572 N CA 0.286 53.396 53.050 0.101 0.000 0.704 572 N CB -1.242 37.341 38.487 0.160 0.000 0.968 572 N HN 0.212 nan 8.380 nan 0.000 0.547 573 I N 0.803 121.385 120.570 0.020 0.000 2.412 573 I HA 0.371 4.540 4.170 -0.002 0.000 0.296 573 I C 0.576 176.682 176.117 -0.019 0.000 0.987 573 I CA -0.872 60.447 61.300 0.032 0.000 1.180 573 I CB 1.406 39.434 38.000 0.047 0.000 1.340 573 I HN 0.029 nan 8.210 nan 0.000 0.455 574 I N 6.222 126.790 120.570 -0.004 0.000 2.371 574 I HA 0.183 4.352 4.170 -0.002 0.000 0.290 574 I C -0.436 175.679 176.117 -0.005 0.000 1.028 574 I CA -0.464 60.794 61.300 -0.070 0.000 1.345 574 I CB 1.225 39.185 38.000 -0.066 0.000 1.407 574 I HN 0.192 nan 8.210 nan 0.000 0.501 575 V N 6.843 126.742 119.914 -0.026 0.000 2.313 575 V HA 0.552 4.671 4.120 -0.002 0.000 0.278 575 V C 0.386 176.522 176.094 0.069 0.000 1.017 575 V CA -0.432 61.905 62.300 0.062 0.000 0.823 575 V CB 1.069 32.924 31.823 0.053 0.000 1.010 575 V HN 0.842 nan 8.190 nan 0.000 0.443 576 A N 3.993 126.884 122.820 0.118 0.000 2.311 576 A HA 0.953 5.272 4.320 -0.002 0.000 0.334 576 A C -0.074 177.684 177.584 0.290 0.000 1.139 576 A CA -0.510 51.601 52.037 0.124 0.000 0.830 576 A CB 1.582 20.521 19.000 -0.101 0.000 1.234 576 A HN 0.672 nan 8.150 nan 0.000 0.483 577 S N -0.416 115.504 115.700 0.367 0.000 2.540 577 S HA 0.664 5.132 4.470 -0.002 0.000 0.275 577 S C -1.535 173.428 174.600 0.605 0.000 1.123 577 S CA -0.293 58.162 58.200 0.425 0.000 0.907 577 S CB 1.210 64.596 63.200 0.310 0.000 1.081 577 S HN 0.715 nan 8.310 nan 0.000 0.476 578 F N 2.075 122.269 119.950 0.408 0.000 2.540 578 F HA 0.521 5.047 4.527 -0.001 0.000 0.317 578 F C -1.297 174.715 175.800 0.354 0.000 1.104 578 F CA -0.795 57.465 58.000 0.433 0.000 0.913 578 F CB 1.457 40.674 39.000 0.361 0.000 1.170 578 F HN 0.389 nan 8.300 nan 0.000 0.450 579 D N 4.482 124.696 120.400 -0.310 0.000 2.473 579 D HA 0.364 5.003 4.640 -0.002 0.000 0.226 579 D C 0.299 176.341 176.300 -0.431 0.000 1.089 579 D CA 0.102 54.001 54.000 -0.168 0.000 0.883 579 D CB 1.460 42.308 40.800 0.079 0.000 1.029 579 D HN 0.768 nan 8.370 nan 0.000 0.517 580 G N 1.209 109.855 108.800 -0.256 0.000 2.736 580 G HA2 0.312 4.271 3.960 -0.002 0.000 0.229 580 G HA3 0.312 4.271 3.960 -0.002 0.000 0.229 580 G C 0.106 175.089 174.900 0.139 0.000 1.380 580 G CA -0.683 44.336 45.100 -0.134 0.000 1.040 580 G HN 0.267 nan 8.290 nan 0.000 0.568 581 R N -0.811 119.742 120.500 0.088 0.000 2.583 581 R HA 0.362 4.701 4.340 -0.002 0.000 0.274 581 R C 1.404 177.809 176.300 0.175 0.000 0.998 581 R CA 2.140 58.358 56.100 0.197 0.000 1.081 581 R CB 0.285 30.676 30.300 0.151 0.000 0.940 581 R HN 1.275 nan 8.270 nan 0.000 0.413 582 G N 1.297 110.190 108.800 0.155 0.000 2.258 582 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.233 582 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.233 582 G C 0.169 175.101 174.900 0.052 0.000 1.006 582 G CA 0.142 45.305 45.100 0.106 0.000 0.620 582 G HN 0.660 nan 8.290 nan 0.000 0.511 583 S N 0.765 116.511 115.700 0.078 0.000 2.572 583 S HA 0.485 4.953 4.470 -0.002 0.000 0.267 583 S C 0.983 175.570 174.600 -0.022 0.000 1.361 583 S CA 0.461 58.700 58.200 0.064 0.000 1.009 583 S CB 1.063 64.333 63.200 0.116 0.000 0.888 583 S HN 1.395 nan 8.310 nan 0.000 0.553 584 G N -0.829 107.925 108.800 -0.075 0.000 2.601 584 G HA2 0.525 4.484 3.960 -0.002 0.000 0.317 584 G HA3 0.525 4.484 3.960 -0.002 0.000 0.317 584 G C -1.095 173.648 174.900 -0.261 0.000 1.246 584 G CA -0.789 44.099 45.100 -0.353 0.000 1.012 584 G HN 0.772 nan 8.290 nan 0.000 0.494 585 Y N -2.335 117.952 120.300 -0.022 0.000 4.668 585 Y HA -0.215 4.334 4.550 -0.002 0.000 0.234 585 Y C 1.389 177.269 175.900 -0.034 0.000 1.056 585 Y CA 1.047 59.135 58.100 -0.020 0.000 2.025 585 Y CB -2.147 36.325 38.460 0.020 0.000 1.613 585 Y HN 0.547 nan 8.280 nan 0.000 0.653 586 Q N -0.104 119.678 119.800 -0.030 0.000 2.093 586 Q HA 0.505 4.844 4.340 -0.002 0.000 0.217 586 Q C 0.915 176.735 176.000 -0.301 0.000 0.785 586 Q CA 0.226 56.008 55.803 -0.035 0.000 1.038 586 Q CB 1.701 30.425 28.738 -0.024 0.000 1.190 586 Q HN 0.586 nan 8.270 nan 0.000 0.468 587 G N 0.754 109.235 108.800 -0.532 0.000 2.663 587 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.686 587 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.686 587 G C -0.530 173.967 174.900 -0.671 0.000 1.246 587 G CA -0.584 43.913 45.100 -1.005 0.000 0.795 587 G HN 0.099 nan 8.290 nan 0.000 0.627 588 D N -0.002 119.980 120.400 -0.696 0.000 2.264 588 D HA -0.048 4.591 4.640 -0.002 0.000 0.208 588 D C 2.182 178.217 176.300 -0.442 0.000 0.966 588 D CA 1.207 54.773 54.000 -0.723 0.000 0.864 588 D CB 0.052 40.344 40.800 -0.847 0.000 0.933 588 D HN 0.614 nan 8.370 nan 0.000 0.499 589 K N 0.478 120.676 120.400 -0.336 0.000 2.152 589 K HA -0.109 4.209 4.320 -0.002 0.000 0.206 589 K C 1.916 178.449 176.600 -0.112 0.000 1.048 589 K CA 0.864 57.046 56.287 -0.175 0.000 0.933 589 K CB 0.032 32.447 32.500 -0.142 0.000 0.721 589 K HN 0.124 nan 8.250 nan 0.000 0.447 590 I N 0.049 120.529 120.570 -0.150 0.000 2.385 590 I HA -0.171 3.998 4.170 -0.002 0.000 0.244 590 I C 2.560 178.665 176.117 -0.020 0.000 1.089 590 I CA 0.569 61.847 61.300 -0.036 0.000 1.410 590 I CB -0.089 37.880 38.000 -0.052 0.000 1.117 590 I HN 0.248 nan 8.210 nan 0.000 0.429 591 M N 0.284 119.798 119.600 -0.142 0.000 2.086 591 M HA -0.248 4.231 4.480 -0.002 0.000 0.261 591 M C 1.911 178.240 176.300 0.048 0.000 1.067 591 M CA 2.051 57.291 55.300 -0.099 0.000 1.116 591 M CB -0.346 32.090 32.600 -0.274 0.000 1.348 591 M HN 0.255 nan 8.290 nan 0.000 0.407 592 H N -0.592 118.366 119.070 -0.185 0.000 2.547 592 H HA 0.160 4.715 4.556 -0.002 0.000 0.266 592 H C 1.888 177.227 175.328 0.018 0.000 0.988 592 H CA 0.070 56.012 56.048 -0.175 0.000 1.147 592 H CB 0.118 29.684 29.762 -0.325 0.000 1.365 592 H HN 0.549 nan 8.280 nan 0.000 0.589 593 A N 1.636 124.560 122.820 0.173 0.000 1.940 593 A HA -0.156 4.163 4.320 -0.002 0.000 0.219 593 A C 2.065 179.848 177.584 0.331 0.000 1.176 593 A CA 1.256 53.422 52.037 0.214 0.000 0.631 593 A CB -0.658 18.446 19.000 0.174 0.000 0.814 593 A HN 0.577 nan 8.150 nan 0.000 0.446 594 I N -2.711 118.028 120.570 0.281 0.000 3.806 594 I HA 0.140 4.309 4.170 -0.002 0.000 0.321 594 I C 0.378 176.574 176.117 0.133 0.000 1.315 594 I CA -0.430 60.985 61.300 0.192 0.000 1.148 594 I CB -0.743 37.344 38.000 0.145 0.000 1.028 594 I HN 0.233 nan 8.210 nan 0.000 0.415 595 N N 2.930 121.749 118.700 0.198 0.000 2.412 595 N HA -0.061 4.678 4.740 -0.002 0.000 0.258 595 N C 0.257 175.789 175.510 0.038 0.000 1.236 595 N CA 0.230 53.397 53.050 0.195 0.000 0.882 595 N CB 0.367 38.928 38.487 0.123 0.000 1.066 595 N HN 0.413 nan 8.380 nan 0.000 0.465 596 R N 0.459 120.961 120.500 0.003 0.000 4.023 596 R HA -0.194 4.145 4.340 -0.002 0.000 0.368 596 R C -0.234 175.937 176.300 -0.214 0.000 1.187 596 R CA 0.830 56.885 56.100 -0.075 0.000 1.089 596 R CB -0.813 29.460 30.300 -0.045 0.000 1.574 596 R HN 0.540 nan 8.270 nan 0.000 0.564 597 R N 0.729 121.088 120.500 -0.235 0.000 2.734 597 R HA 0.345 4.684 4.340 -0.002 0.000 0.395 597 R C -0.417 175.812 176.300 -0.119 0.000 1.096 597 R CA -0.292 55.521 56.100 -0.479 0.000 1.071 597 R CB 0.410 30.435 30.300 -0.458 0.000 1.348 597 R HN 0.108 nan 8.270 nan 0.000 0.600 598 L N -0.324 120.918 121.223 0.032 0.000 2.483 598 L HA 0.163 4.502 4.340 -0.002 0.000 0.276 598 L C 1.277 178.383 176.870 0.394 0.000 1.213 598 L CA 1.113 56.022 54.840 0.113 0.000 0.843 598 L CB 0.460 42.367 42.059 -0.254 0.000 1.107 598 L HN 0.693 nan 8.230 nan 0.000 0.487 599 G N 1.059 110.122 108.800 0.439 0.000 2.136 599 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.242 599 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.242 599 G C 0.433 175.425 174.900 0.153 0.000 0.989 599 G CA 0.544 45.863 45.100 0.366 0.000 0.682 599 G HN 0.828 nan 8.290 nan 0.000 0.522 600 T N -3.370 111.228 114.554 0.074 0.000 3.066 600 T HA 0.481 4.830 4.350 -0.002 0.000 0.176 600 T C 1.645 176.334 174.700 -0.017 0.000 0.826 600 T CA 0.893 62.940 62.100 -0.090 0.000 1.280 600 T CB -0.080 68.544 68.868 -0.407 0.000 2.214 600 T HN 0.155 nan 8.240 nan 0.000 0.399 601 F N 3.449 123.437 119.950 0.065 0.000 2.161 601 F HA 0.037 4.562 4.527 -0.002 0.000 0.300 601 F C 2.806 178.640 175.800 0.058 0.000 1.089 601 F CA 1.212 59.240 58.000 0.046 0.000 1.282 601 F CB -0.792 38.233 39.000 0.041 0.000 1.010 601 F HN 0.544 nan 8.300 nan 0.000 0.485 602 E N 1.178 121.532 120.200 0.257 0.000 2.150 602 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 602 E C 2.250 178.957 176.600 0.177 0.000 0.985 602 E CA 1.738 58.264 56.400 0.210 0.000 0.814 602 E CB -1.086 28.739 29.700 0.208 0.000 0.752 602 E HN 0.377 nan 8.360 nan 0.000 0.466 603 V N 0.011 120.004 119.914 0.132 0.000 2.535 603 V HA -0.085 4.034 4.120 -0.002 0.000 0.246 603 V C 2.020 178.148 176.094 0.057 0.000 1.045 603 V CA 1.577 63.912 62.300 0.059 0.000 1.058 603 V CB -0.244 31.556 31.823 -0.038 0.000 0.689 603 V HN 0.090 nan 8.190 nan 0.000 0.461 604 E N 0.371 120.621 120.200 0.083 0.000 2.058 604 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 604 E C 1.957 178.587 176.600 0.050 0.000 0.997 604 E CA 1.833 58.278 56.400 0.076 0.000 0.801 604 E CB -0.211 29.569 29.700 0.133 0.000 0.746 604 E HN 0.647 nan 8.360 nan 0.000 0.450 605 D N 0.185 120.632 120.400 0.077 0.000 2.218 605 D HA -0.152 4.487 4.640 -0.002 0.000 0.204 605 D C 1.913 178.221 176.300 0.013 0.000 0.976 605 D CA 0.846 54.869 54.000 0.039 0.000 0.853 605 D CB -0.134 40.737 40.800 0.118 0.000 0.939 605 D HN 0.038 nan 8.370 nan 0.000 0.481 606 Q N 0.283 120.148 119.800 0.108 0.000 2.119 606 Q HA -0.001 4.338 4.340 -0.002 0.000 0.201 606 Q C 2.133 178.167 176.000 0.057 0.000 0.972 606 Q CA 0.820 56.695 55.803 0.121 0.000 0.847 606 Q CB -0.185 28.640 28.738 0.145 0.000 0.903 606 Q HN 0.332 nan 8.270 nan 0.000 0.433 607 I N 0.015 120.628 120.570 0.072 0.000 2.202 607 I HA -0.219 3.950 4.170 -0.002 0.000 0.242 607 I C 2.160 178.246 176.117 -0.052 0.000 1.091 607 I CA 1.283 62.673 61.300 0.151 0.000 1.368 607 I CB -0.265 37.807 38.000 0.120 0.000 1.058 607 I HN 0.220 nan 8.210 nan 0.000 0.410 608 E N 1.572 121.685 120.200 -0.146 0.000 2.160 608 E HA -0.209 4.140 4.350 -0.002 0.000 0.195 608 E C 2.040 178.348 176.600 -0.488 0.000 0.991 608 E CA 1.685 57.930 56.400 -0.257 0.000 0.810 608 E CB -0.148 29.417 29.700 -0.226 0.000 0.742 608 E HN 0.431 nan 8.360 nan 0.000 0.466 609 A N 0.742 123.126 122.820 -0.727 0.000 1.873 609 A HA 0.012 4.331 4.320 -0.002 0.000 0.215 609 A C 2.472 179.304 177.584 -1.252 0.000 1.186 609 A CA 2.047 53.306 52.037 -1.297 0.000 0.616 609 A CB -1.075 16.908 19.000 -1.695 0.000 0.823 609 A HN 0.382 nan 8.150 nan 0.000 0.442 610 A N -0.307 122.156 122.820 -0.595 0.000 1.902 610 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 610 A C 2.244 179.626 177.584 -0.338 0.000 1.181 610 A CA 1.831 53.691 52.037 -0.296 0.000 0.623 610 A CB -0.527 18.383 19.000 -0.150 0.000 0.818 610 A HN 0.560 nan 8.150 nan 0.000 0.443 611 R N -0.477 119.817 120.500 -0.342 0.000 2.091 611 R HA -0.177 4.162 4.340 -0.002 0.000 0.238 611 R C 2.264 178.400 176.300 -0.273 0.000 1.136 611 R CA 1.881 57.819 56.100 -0.269 0.000 0.959 611 R CB -0.254 29.916 30.300 -0.218 0.000 0.856 611 R HN 0.682 nan 8.270 nan 0.000 0.437 612 Q N -0.931 118.635 119.800 -0.390 0.000 2.245 612 Q HA -0.099 4.240 4.340 -0.002 0.000 0.201 612 Q C 1.808 177.672 176.000 -0.226 0.000 0.955 612 Q CA 0.830 56.435 55.803 -0.330 0.000 0.870 612 Q CB 0.087 28.585 28.738 -0.401 0.000 0.945 612 Q HN 0.313 nan 8.270 nan 0.000 0.461 613 F N 1.152 120.933 119.950 -0.281 0.000 2.146 613 F HA -0.120 4.406 4.527 -0.002 0.000 0.298 613 F C 2.633 178.247 175.800 -0.311 0.000 1.096 613 F CA 1.237 59.058 58.000 -0.299 0.000 1.275 613 F CB -1.080 37.782 39.000 -0.231 0.000 1.008 613 F HN 0.030 nan 8.300 nan 0.000 0.480 614 S N -0.908 114.754 115.700 -0.064 0.000 2.595 614 S HA -0.068 4.401 4.470 -0.002 0.000 0.235 614 S C 1.374 175.881 174.600 -0.155 0.000 0.974 614 S CA 0.601 58.725 58.200 -0.126 0.000 0.942 614 S CB -0.330 62.789 63.200 -0.135 0.000 0.766 614 S HN 0.165 nan 8.310 nan 0.000 0.536 615 K N 0.125 120.426 120.400 -0.164 0.000 2.413 615 K HA 0.410 4.729 4.320 -0.002 0.000 0.204 615 K C 0.765 177.262 176.600 -0.173 0.000 1.041 615 K CA 0.026 56.223 56.287 -0.150 0.000 1.082 615 K CB 0.043 32.468 32.500 -0.124 0.000 0.871 615 K HN 0.454 nan 8.250 nan 0.000 0.535 616 M N -0.736 118.693 119.600 -0.285 0.000 2.556 616 M HA 0.029 4.508 4.480 -0.002 0.000 0.245 616 M C 1.024 177.106 176.300 -0.363 0.000 1.128 616 M CA 0.839 55.930 55.300 -0.348 0.000 1.069 616 M CB 0.386 32.657 32.600 -0.549 0.000 1.469 616 M HN 0.379 nan 8.290 nan 0.000 0.494 617 G N 0.700 109.305 108.800 -0.324 0.000 2.258 617 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.233 617 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.233 617 G C 0.426 175.296 174.900 -0.050 0.000 1.006 617 G CA 0.279 45.295 45.100 -0.140 0.000 0.620 617 G HN 0.571 nan 8.290 nan 0.000 0.511 618 F N 0.542 120.551 119.950 0.098 0.000 2.708 618 F HA 0.788 5.314 4.527 -0.001 0.000 0.300 618 F C -0.023 175.900 175.800 0.205 0.000 1.118 618 F CA -1.388 56.711 58.000 0.165 0.000 1.307 618 F CB 0.232 39.387 39.000 0.258 0.000 0.986 618 F HN 0.086 nan 8.300 nan 0.000 0.522 619 V N 1.227 121.136 119.914 -0.009 0.000 2.487 619 V HA 0.229 4.348 4.120 -0.002 0.000 0.298 619 V C -0.854 175.224 176.094 -0.026 0.000 1.028 619 V CA -0.767 61.546 62.300 0.020 0.000 0.860 619 V CB 1.755 33.524 31.823 -0.089 0.000 0.991 619 V HN 0.113 nan 8.190 nan 0.000 0.427 620 D N 3.861 124.246 120.400 -0.025 0.000 2.402 620 D HA 0.050 4.689 4.640 -0.002 0.000 0.235 620 D C 1.208 177.459 176.300 -0.081 0.000 1.226 620 D CA -0.281 53.679 54.000 -0.067 0.000 0.918 620 D CB 0.577 41.319 40.800 -0.096 0.000 1.043 620 D HN 0.630 nan 8.370 nan 0.000 0.506 621 N N 3.126 121.779 118.700 -0.078 0.000 2.635 621 N HA -0.164 4.575 4.740 -0.002 0.000 0.191 621 N C 0.753 176.220 175.510 -0.071 0.000 1.155 621 N CA 0.732 53.729 53.050 -0.088 0.000 0.927 621 N CB -0.094 38.335 38.487 -0.096 0.000 0.976 621 N HN 0.382 nan 8.380 nan 0.000 0.448 622 K N -0.360 120.007 120.400 -0.055 0.000 2.379 622 K HA 0.192 4.511 4.320 -0.002 0.000 0.194 622 K C 0.129 176.731 176.600 0.003 0.000 1.031 622 K CA 0.184 56.455 56.287 -0.026 0.000 1.037 622 K CB 0.422 32.908 32.500 -0.024 0.000 0.824 622 K HN 0.145 nan 8.250 nan 0.000 0.516 623 R N 1.243 121.720 120.500 -0.037 0.000 2.681 623 R HA 0.350 4.689 4.340 -0.002 0.000 0.277 623 R C -1.027 175.260 176.300 -0.021 0.000 1.563 623 R CA -0.129 55.958 56.100 -0.021 0.000 1.673 623 R CB 0.643 30.785 30.300 -0.262 0.000 1.258 623 R HN -0.015 nan 8.270 nan 0.000 0.650 624 I N 1.295 121.954 120.570 0.148 0.000 2.389 624 I HA 0.512 4.681 4.170 -0.002 0.000 0.288 624 I C 0.069 176.448 176.117 0.437 0.000 0.999 624 I CA -0.657 60.755 61.300 0.186 0.000 1.129 624 I CB 1.844 39.787 38.000 -0.095 0.000 1.288 624 I HN 0.338 nan 8.210 nan 0.000 0.444 625 A N 7.225 130.425 122.820 0.633 0.000 2.344 625 A HA 0.932 5.251 4.320 -0.002 0.000 0.307 625 A C -0.988 176.979 177.584 0.638 0.000 1.151 625 A CA -0.676 51.714 52.037 0.589 0.000 0.842 625 A CB 2.019 21.228 19.000 0.349 0.000 1.350 625 A HN 0.727 nan 8.150 nan 0.000 0.459 626 I N 0.221 121.087 120.570 0.493 0.000 2.722 626 I HA 0.622 4.791 4.170 -0.002 0.000 0.292 626 I C -2.022 174.361 176.117 0.444 0.000 1.267 626 I CA -0.555 60.975 61.300 0.385 0.000 1.036 626 I CB 1.547 39.529 38.000 -0.030 0.000 1.281 626 I HN 0.945 nan 8.210 nan 0.000 0.423 627 W N 7.202 128.645 121.300 0.238 0.000 3.118 627 W HA 0.879 5.538 4.660 -0.002 0.000 0.328 627 W C -1.415 175.262 176.519 0.262 0.000 1.239 627 W CA -1.076 56.414 57.345 0.242 0.000 1.176 627 W CB 1.188 30.837 29.460 0.316 0.000 1.433 627 W HN 0.825 nan 8.180 nan 0.000 0.562 628 G N 0.794 109.537 108.800 -0.095 0.000 2.601 628 G HA2 0.473 4.432 3.960 -0.002 0.000 0.291 628 G HA3 0.473 4.432 3.960 -0.002 0.000 0.291 628 G C -2.787 172.090 174.900 -0.039 0.000 1.456 628 G CA -0.706 44.205 45.100 -0.314 0.000 0.804 628 G HN 0.609 nan 8.290 nan 0.000 0.499 629 W N 0.904 122.109 121.300 -0.159 0.000 2.761 629 W HA 0.593 5.252 4.660 -0.002 0.000 0.340 629 W C 0.832 177.424 176.519 0.122 0.000 1.072 629 W CA 0.426 57.762 57.345 -0.016 0.000 1.215 629 W CB 1.754 31.199 29.460 -0.024 0.000 1.420 629 W HN 1.091 nan 8.180 nan 0.000 0.519 630 S N 1.561 117.587 115.700 0.543 0.000 4.139 630 S HA -0.432 4.037 4.470 -0.002 0.000 0.603 630 S C 0.814 175.564 174.600 0.251 0.000 1.897 630 S CA 1.680 60.189 58.200 0.516 0.000 4.241 630 S CB -1.572 62.063 63.200 0.724 0.000 0.221 630 S HN 0.750 nan 8.310 nan 0.000 0.488 631 Y N 3.039 123.389 120.300 0.082 0.000 2.274 631 Y HA 0.025 4.574 4.550 -0.002 0.000 0.290 631 Y C 2.396 178.255 175.900 -0.068 0.000 1.145 631 Y CA 2.115 60.154 58.100 -0.102 0.000 1.203 631 Y CB -0.955 37.240 38.460 -0.442 0.000 0.984 631 Y HN 0.535 nan 8.280 nan 0.000 0.533 632 G N -1.090 107.777 108.800 0.112 0.000 2.471 632 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.219 632 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.219 632 G C 1.857 176.809 174.900 0.087 0.000 1.125 632 G CA 0.673 45.849 45.100 0.127 0.000 0.775 632 G HN 0.572 nan 8.290 nan 0.000 0.548 633 G N -0.087 108.773 108.800 0.101 0.000 2.394 633 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.215 633 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.215 633 G C 1.557 176.490 174.900 0.055 0.000 1.165 633 G CA 0.973 46.114 45.100 0.068 0.000 0.784 633 G HN 0.388 nan 8.290 nan 0.000 0.535 634 Y N 1.537 121.748 120.300 -0.148 0.000 2.114 634 Y HA -0.150 4.399 4.550 -0.001 0.000 0.284 634 Y C 2.760 178.569 175.900 -0.152 0.000 1.143 634 Y CA 1.708 59.664 58.100 -0.240 0.000 1.135 634 Y CB -0.562 37.597 38.460 -0.501 0.000 0.980 634 Y HN 0.024 nan 8.280 nan 0.000 0.499 635 V N -0.180 119.601 119.914 -0.222 0.000 2.287 635 V HA -0.345 3.774 4.120 -0.002 0.000 0.248 635 V C 2.347 178.328 176.094 -0.189 0.000 1.053 635 V CA 2.481 64.645 62.300 -0.226 0.000 1.027 635 V CB -1.258 30.586 31.823 0.034 0.000 0.646 635 V HN 0.506 nan 8.190 nan 0.000 0.447 636 T N -0.182 114.321 114.554 -0.085 0.000 2.684 636 T HA -0.210 4.139 4.350 -0.002 0.000 0.267 636 T C 2.138 176.786 174.700 -0.087 0.000 1.036 636 T CA 2.039 64.102 62.100 -0.061 0.000 1.148 636 T CB -0.281 68.630 68.868 0.070 0.000 0.863 636 T HN 0.514 nan 8.240 nan 0.000 0.436 637 S N 0.889 116.567 115.700 -0.037 0.000 2.368 637 S HA -0.006 4.463 4.470 -0.002 0.000 0.224 637 S C 2.117 176.628 174.600 -0.149 0.000 1.029 637 S CA 0.891 59.090 58.200 -0.003 0.000 0.988 637 S CB -0.253 62.993 63.200 0.078 0.000 0.838 637 S HN 0.315 nan 8.310 nan 0.000 0.462 638 M N 0.858 120.281 119.600 -0.295 0.000 2.175 638 M HA -0.006 4.473 4.480 -0.002 0.000 0.264 638 M C 2.164 178.297 176.300 -0.278 0.000 1.063 638 M CA 0.996 56.103 55.300 -0.321 0.000 1.119 638 M CB -1.377 30.931 32.600 -0.488 0.000 1.377 638 M HN 0.171 nan 8.290 nan 0.000 0.415 639 V N 0.510 120.249 119.914 -0.292 0.000 2.307 639 V HA -0.218 3.901 4.120 -0.002 0.000 0.245 639 V C 2.479 178.357 176.094 -0.361 0.000 1.045 639 V CA 1.291 63.407 62.300 -0.307 0.000 1.024 639 V CB -0.557 31.010 31.823 -0.427 0.000 0.651 639 V HN 0.391 nan 8.190 nan 0.000 0.449 640 L N 0.382 121.335 121.223 -0.450 0.000 2.265 640 L HA -0.061 4.278 4.340 -0.002 0.000 0.215 640 L C 2.113 178.416 176.870 -0.945 0.000 1.117 640 L CA 1.451 55.931 54.840 -0.599 0.000 0.782 640 L CB -0.663 41.024 42.059 -0.620 0.000 0.914 640 L HN 0.492 nan 8.230 nan 0.000 0.441 641 G N -1.495 106.785 108.800 -0.867 0.000 3.337 641 G HA2 -0.011 3.948 3.960 -0.002 0.000 0.246 641 G HA3 -0.011 3.948 3.960 -0.002 0.000 0.246 641 G C 1.418 176.144 174.900 -0.289 0.000 1.131 641 G CA 0.536 45.221 45.100 -0.691 0.000 0.773 641 G HN 0.403 nan 8.290 nan 0.000 0.544 642 S N -0.604 114.948 115.700 -0.246 0.000 2.470 642 S HA 0.294 4.763 4.470 -0.002 0.000 0.225 642 S C 1.898 176.445 174.600 -0.089 0.000 1.006 642 S CA 1.002 59.124 58.200 -0.129 0.000 0.934 642 S CB -0.114 63.028 63.200 -0.097 0.000 0.778 642 S HN 1.373 nan 8.310 nan 0.000 0.517 643 G N 1.412 110.147 108.800 -0.108 0.000 2.176 643 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.252 643 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.252 643 G C 0.858 175.743 174.900 -0.026 0.000 1.024 643 G CA 0.864 45.926 45.100 -0.062 0.000 0.755 643 G HN 1.248 nan 8.290 nan 0.000 0.507 644 S N -1.009 114.687 115.700 -0.005 0.000 2.436 644 S HA 0.335 4.804 4.470 -0.002 0.000 0.228 644 S C 2.536 177.148 174.600 0.020 0.000 1.014 644 S CA 1.615 59.828 58.200 0.022 0.000 0.950 644 S CB -0.097 63.148 63.200 0.075 0.000 0.784 644 S HN 2.388 nan 8.310 nan 0.000 0.504 645 G N 0.285 109.105 108.800 0.034 0.000 2.212 645 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.266 645 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.266 645 G C 0.854 175.757 174.900 0.004 0.000 0.978 645 G CA 0.465 45.578 45.100 0.021 0.000 0.632 645 G HN 0.700 nan 8.290 nan 0.000 0.537 646 V N -0.244 119.662 119.914 -0.013 0.000 2.427 646 V HA 0.152 4.271 4.120 -0.002 0.000 0.248 646 V C 1.298 177.173 176.094 -0.365 0.000 1.051 646 V CA 1.729 63.890 62.300 -0.233 0.000 1.048 646 V CB -0.449 31.128 31.823 -0.410 0.000 0.666 646 V HN 0.329 nan 8.190 nan 0.000 0.456 647 F N -0.188 119.777 119.950 0.025 0.000 2.420 647 F HA 0.403 4.930 4.527 -0.001 0.000 0.342 647 F C 1.072 176.918 175.800 0.078 0.000 1.113 647 F CA -0.714 57.329 58.000 0.071 0.000 1.059 647 F CB 1.257 40.304 39.000 0.078 0.000 1.128 647 F HN -0.252 nan 8.300 nan 0.000 0.475 648 K N 1.602 122.160 120.400 0.263 0.000 2.098 648 K HA 0.076 4.395 4.320 -0.002 0.000 0.203 648 K C 0.002 176.734 176.600 0.220 0.000 1.051 648 K CA 1.000 57.407 56.287 0.201 0.000 0.957 648 K CB 0.226 32.841 32.500 0.192 0.000 0.738 648 K HN 0.813 nan 8.250 nan 0.000 0.447 649 c N -2.632 116.137 118.600 0.281 0.000 3.323 649 c HA 0.916 5.485 4.570 -0.002 0.000 0.324 649 c C -0.224 174.105 174.090 0.398 0.000 1.428 649 c CA -0.600 55.921 56.329 0.320 0.000 1.368 649 c CB 1.127 43.747 42.510 0.183 0.000 1.731 649 c HN 0.365 nan 8.230 nan 0.000 0.455 650 G N 0.060 109.165 108.800 0.507 0.000 2.667 650 G HA2 0.656 4.615 3.960 -0.002 0.000 0.294 650 G HA3 0.656 4.615 3.960 -0.002 0.000 0.294 650 G C -1.902 173.219 174.900 0.369 0.000 1.467 650 G CA -0.648 44.712 45.100 0.434 0.000 0.852 650 G HN 0.977 nan 8.290 nan 0.000 0.521 651 I N 0.889 121.645 120.570 0.309 0.000 2.436 651 I HA 0.646 4.815 4.170 -0.002 0.000 0.289 651 I C 0.238 176.470 176.117 0.191 0.000 1.010 651 I CA -0.996 60.368 61.300 0.107 0.000 1.098 651 I CB 2.235 40.285 38.000 0.084 0.000 1.266 651 I HN 0.652 nan 8.210 nan 0.000 0.434 652 A N 6.432 129.261 122.820 0.014 0.000 2.304 652 A HA 0.773 5.091 4.320 -0.002 0.000 0.314 652 A C -0.775 176.727 177.584 -0.137 0.000 1.187 652 A CA -0.513 51.544 52.037 0.034 0.000 0.810 652 A CB 1.181 20.269 19.000 0.146 0.000 1.183 652 A HN 0.447 nan 8.150 nan 0.000 0.487 653 V N 2.091 121.875 119.914 -0.216 0.000 2.384 653 V HA 0.576 4.695 4.120 -0.002 0.000 0.287 653 V C 0.935 176.658 176.094 -0.619 0.000 1.020 653 V CA 0.286 62.240 62.300 -0.576 0.000 0.850 653 V CB 0.814 31.966 31.823 -1.118 0.000 0.987 653 V HN 2.107 nan 8.190 nan 0.000 0.436 654 A N 5.631 128.072 122.820 -0.631 0.000 2.415 654 A HA -0.106 4.213 4.320 -0.002 0.000 0.292 654 A C -1.755 175.726 177.584 -0.172 0.000 1.452 654 A CA 0.476 52.061 52.037 -0.754 0.000 0.750 654 A CB -1.522 17.120 19.000 -0.597 0.000 1.099 654 A HN 0.619 nan 8.150 nan 0.000 0.391 655 P HA 0.457 nan 4.420 nan 0.000 0.281 655 P C 0.068 177.356 177.300 -0.020 0.000 1.249 655 P CA -0.293 62.812 63.100 0.008 0.000 0.810 655 P CB 1.452 33.173 31.700 0.034 0.000 1.008 656 V N 2.138 121.937 119.914 -0.192 0.000 2.649 656 V HA 0.100 4.219 4.120 -0.002 0.000 0.292 656 V C 1.714 177.619 176.094 -0.315 0.000 1.055 656 V CA 0.731 62.771 62.300 -0.432 0.000 1.023 656 V CB 0.909 32.077 31.823 -1.091 0.000 0.992 656 V HN 0.819 nan 8.190 nan 0.000 0.480 657 S N 3.761 119.311 115.700 -0.249 0.000 2.539 657 S HA 0.241 4.710 4.470 -0.002 0.000 0.226 657 S C 0.464 174.902 174.600 -0.271 0.000 1.054 657 S CA -0.352 57.767 58.200 -0.134 0.000 0.910 657 S CB 0.290 63.476 63.200 -0.023 0.000 0.818 657 S HN 0.850 nan 8.310 nan 0.000 0.490 658 R N -1.235 118.977 120.500 -0.480 0.000 2.536 658 R HA 0.434 4.773 4.340 -0.002 0.000 0.269 658 R C -0.952 175.010 176.300 -0.563 0.000 1.113 658 R CA -0.877 54.888 56.100 -0.559 0.000 0.948 658 R CB -0.288 29.661 30.300 -0.585 0.000 1.237 658 R HN 0.120 nan 8.270 nan 0.000 0.441 659 W N 1.553 122.767 121.300 -0.143 0.000 2.364 659 W HA -0.064 4.594 4.660 -0.002 0.000 0.281 659 W C 1.110 177.760 176.519 0.218 0.000 1.219 659 W CA 1.024 58.381 57.345 0.020 0.000 1.220 659 W CB 0.150 29.553 29.460 -0.095 0.000 1.127 659 W HN 0.715 nan 8.180 nan 0.000 0.556 660 E N -0.959 119.408 120.200 0.278 0.000 2.409 660 E HA -0.187 4.162 4.350 -0.002 0.000 0.198 660 E C 1.255 178.003 176.600 0.246 0.000 1.024 660 E CA 0.707 57.221 56.400 0.191 0.000 0.861 660 E CB -0.219 29.485 29.700 0.007 0.000 0.788 660 E HN 0.385 nan 8.360 nan 0.000 0.521 661 Y N -1.449 118.946 120.300 0.159 0.000 2.517 661 Y HA 0.053 4.602 4.550 -0.002 0.000 0.281 661 Y C 0.746 176.762 175.900 0.192 0.000 1.125 661 Y CA -0.272 57.896 58.100 0.113 0.000 1.283 661 Y CB -0.326 38.143 38.460 0.015 0.000 1.042 661 Y HN 0.010 nan 8.280 nan 0.000 0.547 662 Y N 2.014 122.483 120.300 0.282 0.000 2.334 662 Y HA 0.268 4.817 4.550 -0.002 0.000 0.325 662 Y C 0.363 176.499 175.900 0.394 0.000 1.308 662 Y CA -2.069 56.211 58.100 0.300 0.000 1.389 662 Y CB 0.313 38.980 38.460 0.344 0.000 1.328 662 Y HN 0.198 nan 8.280 nan 0.000 0.532 663 D N -0.471 119.745 120.400 -0.307 0.000 2.400 663 D HA 0.063 4.702 4.640 -0.002 0.000 0.238 663 D C 0.975 177.273 176.300 -0.003 0.000 1.157 663 D CA 0.447 54.292 54.000 -0.258 0.000 0.889 663 D CB 0.800 41.210 40.800 -0.649 0.000 1.199 663 D HN 0.481 nan 8.370 nan 0.000 0.436 664 S N 1.193 116.895 115.700 0.004 0.000 2.348 664 S HA -0.229 4.240 4.470 -0.002 0.000 0.221 664 S C 1.939 176.562 174.600 0.037 0.000 1.033 664 S CA 1.192 59.436 58.200 0.073 0.000 1.010 664 S CB -1.032 62.216 63.200 0.080 0.000 0.891 664 S HN 0.440 nan 8.310 nan 0.000 0.442 665 V N 0.787 120.658 119.914 -0.072 0.000 2.287 665 V HA -0.188 3.931 4.120 -0.002 0.000 0.248 665 V C 2.310 178.309 176.094 -0.157 0.000 1.053 665 V CA 2.299 64.461 62.300 -0.230 0.000 1.027 665 V CB -1.083 30.449 31.823 -0.484 0.000 0.646 665 V HN 0.614 nan 8.190 nan 0.000 0.447 666 Y N 1.132 121.361 120.300 -0.119 0.000 2.176 666 Y HA -0.186 4.363 4.550 -0.002 0.000 0.291 666 Y C 2.738 178.643 175.900 0.009 0.000 1.122 666 Y CA 2.211 60.319 58.100 0.013 0.000 1.128 666 Y CB -0.524 38.122 38.460 0.310 0.000 1.005 666 Y HN 0.199 nan 8.280 nan 0.000 0.509 667 T N 0.475 115.240 114.554 0.352 0.000 2.652 667 T HA -0.219 4.130 4.350 -0.002 0.000 0.267 667 T C 1.574 176.235 174.700 -0.065 0.000 1.039 667 T CA 2.019 64.244 62.100 0.208 0.000 1.153 667 T CB -0.364 68.790 68.868 0.476 0.000 0.863 667 T HN 0.428 nan 8.240 nan 0.000 0.428 668 E N 0.501 120.704 120.200 0.005 0.000 2.204 668 E HA -0.136 4.213 4.350 -0.002 0.000 0.195 668 E C 2.350 178.821 176.600 -0.216 0.000 0.990 668 E CA 0.621 57.010 56.400 -0.019 0.000 0.821 668 E CB -0.138 29.597 29.700 0.059 0.000 0.750 668 E HN 0.330 nan 8.360 nan 0.000 0.477 669 R N 0.064 120.278 120.500 -0.477 0.000 2.105 669 R HA -0.193 4.146 4.340 -0.002 0.000 0.239 669 R C 1.251 176.986 176.300 -0.941 0.000 1.135 669 R CA 1.634 57.258 56.100 -0.793 0.000 0.967 669 R CB -0.016 29.499 30.300 -1.309 0.000 0.861 669 R HN 0.245 nan 8.270 nan 0.000 0.442 670 Y N -2.296 117.659 120.300 -0.574 0.000 2.481 670 Y HA 0.240 4.789 4.550 -0.002 0.000 0.258 670 Y C 1.584 177.273 175.900 -0.351 0.000 1.103 670 Y CA -0.063 57.696 58.100 -0.569 0.000 1.287 670 Y CB 0.502 38.486 38.460 -0.794 0.000 1.108 670 Y HN -0.032 nan 8.280 nan 0.000 0.529 671 M N -0.428 119.036 119.600 -0.226 0.000 2.308 671 M HA 0.376 4.855 4.480 -0.002 0.000 0.269 671 M C 1.058 177.365 176.300 0.012 0.000 1.040 671 M CA 0.752 55.926 55.300 -0.210 0.000 1.024 671 M CB -0.159 32.113 32.600 -0.547 0.000 1.465 671 M HN 0.331 nan 8.290 nan 0.000 0.517 672 G N 1.874 110.696 108.800 0.036 0.000 2.645 672 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.239 672 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.239 672 G C -0.778 174.254 174.900 0.220 0.000 1.331 672 G CA -0.829 44.333 45.100 0.103 0.000 0.890 672 G HN 0.228 nan 8.290 nan 0.000 0.572 673 L N 2.527 123.846 121.223 0.159 0.000 2.375 673 L HA 0.512 4.851 4.340 -0.002 0.000 0.271 673 L C -1.211 175.660 176.870 0.002 0.000 1.107 673 L CA -1.919 52.971 54.840 0.084 0.000 0.806 673 L CB 1.090 43.164 42.059 0.025 0.000 1.146 673 L HN 0.445 nan 8.230 nan 0.000 0.447 674 P HA 0.103 nan 4.420 nan 0.000 0.218 674 P C -0.718 176.429 177.300 -0.255 0.000 1.793 674 P CA -0.162 62.525 63.100 -0.688 0.000 0.941 674 P CB -0.368 30.630 31.700 -1.170 0.000 1.919 675 T N -2.866 111.630 114.554 -0.097 0.000 2.908 675 T HA 0.447 4.796 4.350 -0.002 0.000 0.290 675 T C -1.989 172.709 174.700 -0.004 0.000 1.034 675 T CA -2.455 59.618 62.100 -0.046 0.000 1.010 675 T CB 2.074 70.925 68.868 -0.027 0.000 1.068 675 T HN -0.211 nan 8.240 nan 0.000 0.481 676 P HA -0.098 nan 4.420 nan 0.000 0.219 676 P C 0.749 178.062 177.300 0.022 0.000 1.146 676 P CA 1.179 64.289 63.100 0.017 0.000 0.808 676 P CB 0.191 31.897 31.700 0.010 0.000 0.779 677 E N -0.855 119.353 120.200 0.014 0.000 2.274 677 E HA -0.080 4.269 4.350 -0.002 0.000 0.194 677 E C 1.579 178.194 176.600 0.025 0.000 0.996 677 E CA 0.768 57.177 56.400 0.015 0.000 0.840 677 E CB -0.348 29.357 29.700 0.007 0.000 0.772 677 E HN 0.322 nan 8.360 nan 0.000 0.491 678 D N -0.574 119.847 120.400 0.035 0.000 2.931 678 D HA 0.100 4.739 4.640 -0.002 0.000 0.241 678 D C 0.312 176.665 176.300 0.088 0.000 1.494 678 D CA 0.151 54.184 54.000 0.054 0.000 1.260 678 D CB -0.003 40.831 40.800 0.057 0.000 0.953 678 D HN 0.011 nan 8.370 nan 0.000 0.240 679 N N 0.008 118.794 118.700 0.144 0.000 2.305 679 N HA 0.047 4.786 4.740 -0.002 0.000 0.248 679 N C 1.269 176.978 175.510 0.331 0.000 1.290 679 N CA -0.111 53.073 53.050 0.223 0.000 0.873 679 N CB 0.882 39.521 38.487 0.252 0.000 1.261 679 N HN -0.008 nan 8.380 nan 0.000 0.504 680 L N 1.209 122.548 121.223 0.192 0.000 2.013 680 L HA -0.181 4.158 4.340 -0.002 0.000 0.212 680 L C 1.515 178.497 176.870 0.188 0.000 1.073 680 L CA 2.024 56.952 54.840 0.147 0.000 0.753 680 L CB -0.429 41.647 42.059 0.028 0.000 0.890 680 L HN 0.159 nan 8.230 nan 0.000 0.432 681 D N -1.357 119.130 120.400 0.145 0.000 2.116 681 D HA -0.275 4.363 4.640 -0.002 0.000 0.193 681 D C 2.099 178.488 176.300 0.148 0.000 0.998 681 D CA 1.851 55.925 54.000 0.123 0.000 0.836 681 D CB -0.211 40.650 40.800 0.102 0.000 0.951 681 D HN 0.596 nan 8.370 nan 0.000 0.449 682 H N -1.005 118.128 119.070 0.105 0.000 2.462 682 H HA -0.063 4.492 4.556 -0.002 0.000 0.292 682 H C 1.704 177.093 175.328 0.102 0.000 1.049 682 H CA 1.141 57.229 56.048 0.066 0.000 1.334 682 H CB -0.281 29.485 29.762 0.006 0.000 1.404 682 H HN 0.164 nan 8.280 nan 0.000 0.544 683 Y N 0.200 120.487 120.300 -0.023 0.000 2.181 683 Y HA -0.156 4.393 4.550 -0.002 0.000 0.288 683 Y C 2.272 178.135 175.900 -0.063 0.000 1.146 683 Y CA 1.383 59.476 58.100 -0.012 0.000 1.164 683 Y CB 0.172 38.658 38.460 0.043 0.000 0.982 683 Y HN 0.122 nan 8.280 nan 0.000 0.515 684 R N -0.342 120.224 120.500 0.109 0.000 2.193 684 R HA -0.032 4.307 4.340 -0.002 0.000 0.213 684 R C 1.206 177.494 176.300 -0.020 0.000 1.055 684 R CA 0.791 56.910 56.100 0.032 0.000 0.995 684 R CB -0.676 29.645 30.300 0.036 0.000 0.893 684 R HN 0.358 nan 8.270 nan 0.000 0.459 685 N N 0.053 118.716 118.700 -0.062 0.000 2.422 685 N HA -0.056 4.683 4.740 -0.002 0.000 0.181 685 N C 0.373 175.813 175.510 -0.117 0.000 1.080 685 N CA 0.568 53.577 53.050 -0.069 0.000 0.893 685 N CB 0.345 38.823 38.487 -0.014 0.000 0.973 685 N HN 0.095 nan 8.380 nan 0.000 0.456 686 S N -1.064 114.521 115.700 -0.191 0.000 2.537 686 S HA 0.154 4.623 4.470 -0.002 0.000 0.246 686 S C 0.390 175.022 174.600 0.053 0.000 1.036 686 S CA -0.771 57.385 58.200 -0.073 0.000 1.041 686 S CB -0.652 62.468 63.200 -0.133 0.000 0.799 686 S HN 0.170 nan 8.310 nan 0.000 0.456 687 T N -1.963 112.581 114.554 -0.016 0.000 2.918 687 T HA 0.546 4.895 4.350 -0.002 0.000 0.283 687 T C 1.237 175.924 174.700 -0.021 0.000 1.001 687 T CA -0.670 61.407 62.100 -0.038 0.000 1.041 687 T CB 1.366 70.181 68.868 -0.087 0.000 1.028 687 T HN -0.037 nan 8.240 nan 0.000 0.511 688 V N 1.958 121.855 119.914 -0.029 0.000 2.488 688 V HA -0.115 4.003 4.120 -0.002 0.000 0.246 688 V C 2.718 178.780 176.094 -0.054 0.000 1.046 688 V CA 1.440 63.718 62.300 -0.038 0.000 1.053 688 V CB -0.802 30.994 31.823 -0.046 0.000 0.679 688 V HN 0.868 nan 8.190 nan 0.000 0.458 689 M N 1.238 120.790 119.600 -0.081 0.000 2.279 689 M HA -0.110 4.369 4.480 -0.002 0.000 0.264 689 M C 2.338 178.606 176.300 -0.054 0.000 1.062 689 M CA 2.163 57.406 55.300 -0.094 0.000 1.099 689 M CB -2.014 30.540 32.600 -0.077 0.000 1.394 689 M HN 0.557 nan 8.290 nan 0.000 0.426 690 S N 0.790 116.470 115.700 -0.034 0.000 2.469 690 S HA -0.067 4.402 4.470 -0.002 0.000 0.238 690 S C 1.772 176.373 174.600 0.001 0.000 0.998 690 S CA 0.624 58.814 58.200 -0.017 0.000 0.957 690 S CB -0.463 62.727 63.200 -0.018 0.000 0.764 690 S HN 0.634 nan 8.310 nan 0.000 0.514 691 R N 0.357 120.870 120.500 0.022 0.000 2.427 691 R HA 0.480 4.819 4.340 -0.002 0.000 0.262 691 R C 2.155 178.553 176.300 0.164 0.000 0.943 691 R CA 0.411 56.551 56.100 0.067 0.000 1.081 691 R CB -0.194 30.142 30.300 0.060 0.000 1.166 691 R HN 0.452 nan 8.270 nan 0.000 0.534 692 A N 1.568 124.432 122.820 0.073 0.000 1.915 692 A HA -0.313 4.006 4.320 -0.002 0.000 0.220 692 A C 2.005 179.670 177.584 0.136 0.000 1.198 692 A CA 2.024 54.075 52.037 0.022 0.000 0.647 692 A CB -0.302 18.642 19.000 -0.092 0.000 0.825 692 A HN 0.278 nan 8.150 nan 0.000 0.456 693 E N 0.296 120.548 120.200 0.086 0.000 2.097 693 E HA -0.198 4.151 4.350 -0.002 0.000 0.196 693 E C 1.691 178.347 176.600 0.094 0.000 1.000 693 E CA 1.883 58.328 56.400 0.076 0.000 0.804 693 E CB -0.500 29.226 29.700 0.043 0.000 0.740 693 E HN 0.804 nan 8.360 nan 0.000 0.454 694 N N -1.207 117.542 118.700 0.082 0.000 2.453 694 N HA -0.110 4.629 4.740 -0.002 0.000 0.183 694 N C 0.777 176.264 175.510 -0.038 0.000 1.041 694 N CA 0.258 53.306 53.050 -0.002 0.000 0.900 694 N CB -0.129 38.307 38.487 -0.084 0.000 0.961 694 N HN 0.141 nan 8.380 nan 0.000 0.443 695 F N 1.462 121.366 119.950 -0.076 0.000 2.699 695 F HA 0.034 4.560 4.527 -0.001 0.000 0.298 695 F C 1.846 177.648 175.800 0.004 0.000 1.154 695 F CA 0.625 58.577 58.000 -0.080 0.000 1.457 695 F CB 0.019 38.922 39.000 -0.161 0.000 1.106 695 F HN -0.078 nan 8.300 nan 0.000 0.585 696 K N -0.251 120.244 120.400 0.158 0.000 2.280 696 K HA -0.150 4.169 4.320 -0.002 0.000 0.202 696 K C 1.528 178.188 176.600 0.099 0.000 1.047 696 K CA 0.831 57.194 56.287 0.127 0.000 0.942 696 K CB -0.114 32.441 32.500 0.090 0.000 0.739 696 K HN 0.265 nan 8.250 nan 0.000 0.457 697 Q N 0.355 120.191 119.800 0.061 0.000 2.403 697 Q HA 0.034 4.373 4.340 -0.002 0.000 0.203 697 Q C 0.654 176.693 176.000 0.064 0.000 0.932 697 Q CA 0.301 56.133 55.803 0.047 0.000 0.945 697 Q CB 0.353 29.101 28.738 0.015 0.000 1.045 697 Q HN 0.211 nan 8.270 nan 0.000 0.511 698 V N -3.328 116.642 119.914 0.092 0.000 3.181 698 V HA 0.524 4.643 4.120 -0.002 0.000 0.308 698 V C -1.056 175.182 176.094 0.239 0.000 1.214 698 V CA -1.272 61.110 62.300 0.136 0.000 1.053 698 V CB 2.469 34.334 31.823 0.072 0.000 1.069 698 V HN -0.051 nan 8.190 nan 0.000 0.441 699 E N 1.596 121.968 120.200 0.288 0.000 2.081 699 E HA 0.434 4.783 4.350 -0.002 0.000 0.276 699 E C -1.890 175.079 176.600 0.615 0.000 0.950 699 E CA -0.352 56.288 56.400 0.400 0.000 0.776 699 E CB 1.663 31.529 29.700 0.275 0.000 1.094 699 E HN 0.675 nan 8.360 nan 0.000 0.402 700 Y N 3.583 124.143 120.300 0.433 0.000 2.393 700 Y HA 0.423 4.972 4.550 -0.002 0.000 0.341 700 Y C -1.395 174.608 175.900 0.171 0.000 0.988 700 Y CA -1.191 57.109 58.100 0.334 0.000 1.078 700 Y CB 0.954 39.646 38.460 0.386 0.000 1.203 700 Y HN 0.420 nan 8.280 nan 0.000 0.453 701 L N 8.128 129.089 121.223 -0.436 0.000 2.343 701 L HA 0.471 4.810 4.340 -0.002 0.000 0.278 701 L C -1.680 174.762 176.870 -0.713 0.000 0.996 701 L CA -0.766 53.682 54.840 -0.653 0.000 0.831 701 L CB 1.137 42.496 42.059 -1.166 0.000 1.232 701 L HN 0.669 nan 8.230 nan 0.000 0.413 702 L N 6.453 127.347 121.223 -0.549 0.000 2.287 702 L HA 0.570 4.909 4.340 -0.002 0.000 0.287 702 L C -0.813 175.933 176.870 -0.206 0.000 1.022 702 L CA -0.460 54.106 54.840 -0.456 0.000 0.814 702 L CB 1.525 43.385 42.059 -0.332 0.000 1.217 702 L HN 0.601 nan 8.230 nan 0.000 0.420 703 I N 4.067 124.525 120.570 -0.187 0.000 2.608 703 I HA 0.493 4.662 4.170 -0.002 0.000 0.295 703 I C -0.878 175.224 176.117 -0.027 0.000 1.049 703 I CA -0.754 60.486 61.300 -0.099 0.000 1.063 703 I CB 2.037 39.937 38.000 -0.167 0.000 1.248 703 I HN 0.526 nan 8.210 nan 0.000 0.424 704 H N 2.825 121.941 119.070 0.076 0.000 3.123 704 H HA 0.341 4.896 4.556 -0.002 0.000 0.346 704 H C -0.810 174.753 175.328 0.390 0.000 1.138 704 H CA -0.546 55.602 56.048 0.167 0.000 1.273 704 H CB 2.402 32.203 29.762 0.066 0.000 1.926 704 H HN 0.769 nan 8.280 nan 0.000 0.524 705 G N 1.222 110.363 108.800 0.568 0.000 2.390 705 G HA2 0.226 4.185 3.960 -0.002 0.000 0.270 705 G HA3 0.226 4.185 3.960 -0.002 0.000 0.270 705 G C 1.161 176.359 174.900 0.496 0.000 1.211 705 G CA 0.231 45.629 45.100 0.497 0.000 0.842 705 G HN 0.655 nan 8.290 nan 0.000 0.519 706 T N -0.481 114.215 114.554 0.236 0.000 2.915 706 T HA 0.025 4.374 4.350 -0.002 0.000 0.269 706 T C 1.734 176.447 174.700 0.021 0.000 1.071 706 T CA 1.338 63.397 62.100 -0.068 0.000 1.132 706 T CB 0.103 68.850 68.868 -0.201 0.000 0.878 706 T HN 0.701 nan 8.240 nan 0.000 0.479 707 A N 1.103 124.006 122.820 0.138 0.000 2.684 707 A HA 0.296 4.615 4.320 -0.002 0.000 0.288 707 A C 0.401 177.977 177.584 -0.012 0.000 1.337 707 A CA -0.510 51.587 52.037 0.100 0.000 0.946 707 A CB -0.354 18.934 19.000 0.480 0.000 1.093 707 A HN 0.394 nan 8.150 nan 0.000 0.543 708 D N 1.477 121.886 120.400 0.014 0.000 2.344 708 D HA -0.004 4.635 4.640 -0.002 0.000 0.253 708 D C 0.325 176.608 176.300 -0.028 0.000 1.255 708 D CA 0.080 54.179 54.000 0.165 0.000 0.894 708 D CB 0.680 41.738 40.800 0.431 0.000 1.067 708 D HN 0.576 nan 8.370 nan 0.000 0.492 709 D N 2.493 122.919 120.400 0.043 0.000 2.323 709 D HA -0.147 4.491 4.640 -0.002 0.000 0.209 709 D C 0.972 177.245 176.300 -0.045 0.000 0.973 709 D CA 0.008 53.988 54.000 -0.032 0.000 0.874 709 D CB 0.439 41.209 40.800 -0.051 0.000 0.930 709 D HN 0.238 nan 8.370 nan 0.000 0.521 710 N N 0.864 119.642 118.700 0.130 0.000 2.335 710 N HA -0.054 4.685 4.740 -0.002 0.000 0.197 710 N C -0.018 175.439 175.510 -0.088 0.000 1.045 710 N CA 0.508 53.674 53.050 0.193 0.000 0.928 710 N CB 0.377 38.986 38.487 0.204 0.000 1.118 710 N HN -0.094 nan 8.380 nan 0.000 0.471 711 V N 3.076 122.967 119.914 -0.038 0.000 2.288 711 V HA 0.187 4.306 4.120 -0.002 0.000 0.266 711 V C -0.573 175.590 176.094 0.115 0.000 1.048 711 V CA -0.397 61.920 62.300 0.028 0.000 0.842 711 V CB -0.510 31.384 31.823 0.118 0.000 1.064 711 V HN 0.298 nan 8.190 nan 0.000 0.472 712 H N 3.346 122.406 119.070 -0.017 0.000 2.972 712 H HA -0.057 4.498 4.556 -0.002 0.000 0.343 712 H C 0.852 176.051 175.328 -0.215 0.000 1.054 712 H CA 0.029 55.988 56.048 -0.149 0.000 1.412 712 H CB 0.661 30.247 29.762 -0.293 0.000 1.385 712 H HN 0.626 nan 8.280 nan 0.000 0.600 713 F N 2.280 122.058 119.950 -0.287 0.000 2.225 713 F HA -0.317 4.209 4.527 -0.002 0.000 0.302 713 F C 2.564 178.094 175.800 -0.450 0.000 1.068 713 F CA 1.830 59.462 58.000 -0.613 0.000 1.327 713 F CB -0.202 38.614 39.000 -0.307 0.000 1.043 713 F HN 0.678 nan 8.300 nan 0.000 0.506 714 Q N 0.192 119.866 119.800 -0.211 0.000 2.133 714 Q HA -0.319 4.020 4.340 -0.002 0.000 0.208 714 Q C 2.076 177.835 176.000 -0.403 0.000 0.991 714 Q CA 2.326 57.949 55.803 -0.300 0.000 0.867 714 Q CB -0.408 28.119 28.738 -0.352 0.000 0.911 714 Q HN 0.589 nan 8.270 nan 0.000 0.417 715 Q N -0.318 119.280 119.800 -0.336 0.000 2.096 715 Q HA -0.129 4.210 4.340 -0.002 0.000 0.204 715 Q C 2.226 178.113 176.000 -0.189 0.000 0.982 715 Q CA 1.727 57.447 55.803 -0.139 0.000 0.850 715 Q CB -0.088 28.649 28.738 -0.003 0.000 0.901 715 Q HN 0.333 nan 8.270 nan 0.000 0.422 716 S N 0.296 115.752 115.700 -0.407 0.000 2.446 716 S HA 0.040 4.509 4.470 -0.002 0.000 0.225 716 S C 1.961 176.301 174.600 -0.434 0.000 1.016 716 S CA 0.604 58.572 58.200 -0.387 0.000 0.943 716 S CB 0.018 62.936 63.200 -0.469 0.000 0.786 716 S HN 0.453 nan 8.310 nan 0.000 0.508 717 A N 1.297 123.782 122.820 -0.557 0.000 1.933 717 A HA -0.110 4.209 4.320 -0.002 0.000 0.218 717 A C 2.103 179.589 177.584 -0.164 0.000 1.175 717 A CA 1.085 52.929 52.037 -0.321 0.000 0.628 717 A CB -0.354 18.521 19.000 -0.208 0.000 0.814 717 A HN 0.356 nan 8.150 nan 0.000 0.444 718 Q N -0.485 119.226 119.800 -0.148 0.000 2.187 718 Q HA 0.030 4.369 4.340 -0.002 0.000 0.199 718 Q C 2.094 178.043 176.000 -0.086 0.000 0.957 718 Q CA 0.879 56.647 55.803 -0.058 0.000 0.857 718 Q CB -0.265 28.512 28.738 0.064 0.000 0.929 718 Q HN 0.777 nan 8.270 nan 0.000 0.453 719 I N 1.083 121.574 120.570 -0.132 0.000 2.163 719 I HA -0.270 3.899 4.170 -0.002 0.000 0.240 719 I C 2.569 178.523 176.117 -0.272 0.000 1.081 719 I CA 1.425 62.605 61.300 -0.200 0.000 1.353 719 I CB -0.488 37.400 38.000 -0.187 0.000 1.054 719 I HN 0.183 nan 8.210 nan 0.000 0.407 720 S N 1.111 116.681 115.700 -0.216 0.000 2.370 720 S HA -0.309 4.160 4.470 -0.002 0.000 0.226 720 S C 2.042 176.617 174.600 -0.043 0.000 1.033 720 S CA 1.736 59.853 58.200 -0.139 0.000 1.011 720 S CB -0.503 62.770 63.200 0.121 0.000 0.852 720 S HN 0.382 nan 8.310 nan 0.000 0.457 721 K N 1.707 122.083 120.400 -0.039 0.000 2.057 721 K HA 0.048 4.367 4.320 -0.002 0.000 0.207 721 K C 2.264 178.843 176.600 -0.035 0.000 1.049 721 K CA 1.184 57.465 56.287 -0.011 0.000 0.931 721 K CB -0.710 31.782 32.500 -0.013 0.000 0.714 721 K HN 0.459 nan 8.250 nan 0.000 0.440 722 A N 0.846 123.614 122.820 -0.086 0.000 1.969 722 A HA -0.063 4.256 4.320 -0.002 0.000 0.218 722 A C 2.050 179.565 177.584 -0.115 0.000 1.169 722 A CA 1.097 53.079 52.037 -0.093 0.000 0.635 722 A CB -0.472 18.457 19.000 -0.118 0.000 0.810 722 A HN 0.323 nan 8.150 nan 0.000 0.445 723 L N -0.812 120.293 121.223 -0.196 0.000 2.109 723 L HA -0.112 4.227 4.340 -0.002 0.000 0.207 723 L C 2.476 179.358 176.870 0.019 0.000 1.086 723 L CA 0.792 55.513 54.840 -0.199 0.000 0.760 723 L CB -0.449 41.282 42.059 -0.547 0.000 0.910 723 L HN 0.234 nan 8.230 nan 0.000 0.437 724 V N -0.280 119.686 119.914 0.087 0.000 2.358 724 V HA -0.261 3.858 4.120 -0.002 0.000 0.246 724 V C 1.921 178.055 176.094 0.067 0.000 1.047 724 V CA 1.757 64.136 62.300 0.132 0.000 1.035 724 V CB -0.471 31.431 31.823 0.132 0.000 0.658 724 V HN 0.409 nan 8.190 nan 0.000 0.452 725 D N -0.406 120.014 120.400 0.034 0.000 2.263 725 D HA -0.097 4.542 4.640 -0.002 0.000 0.208 725 D C 1.748 178.062 176.300 0.023 0.000 0.971 725 D CA 0.878 54.891 54.000 0.022 0.000 0.867 725 D CB 0.102 40.907 40.800 0.008 0.000 0.929 725 D HN 0.336 nan 8.370 nan 0.000 0.492 726 V N -0.766 119.162 119.914 0.023 0.000 3.621 726 V HA 0.221 4.340 4.120 -0.002 0.000 0.285 726 V C 1.311 177.433 176.094 0.048 0.000 1.346 726 V CA 0.737 63.054 62.300 0.028 0.000 1.104 726 V CB 0.373 32.206 31.823 0.016 0.000 0.913 726 V HN 0.347 nan 8.190 nan 0.000 0.432 727 G N 0.751 109.589 108.800 0.063 0.000 2.182 727 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.248 727 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.248 727 G C 0.028 174.991 174.900 0.106 0.000 1.042 727 G CA 0.240 45.386 45.100 0.078 0.000 0.775 727 G HN 0.403 nan 8.290 nan 0.000 0.501 728 V N 0.602 120.598 119.914 0.137 0.000 2.407 728 V HA 0.497 4.616 4.120 -0.002 0.000 0.278 728 V C 0.388 176.673 176.094 0.319 0.000 1.037 728 V CA -0.371 62.044 62.300 0.190 0.000 0.900 728 V CB 1.723 33.640 31.823 0.156 0.000 0.983 728 V HN 0.435 nan 8.190 nan 0.000 0.459 729 D N 3.994 124.559 120.400 0.275 0.000 2.264 729 D HA 0.637 5.276 4.640 -0.002 0.000 0.249 729 D C -0.584 175.965 176.300 0.416 0.000 1.070 729 D CA 0.047 54.200 54.000 0.255 0.000 0.912 729 D CB 0.916 41.791 40.800 0.125 0.000 1.193 729 D HN 0.340 nan 8.370 nan 0.000 0.427 730 F N -0.368 119.658 119.950 0.126 0.000 2.877 730 F HA 0.473 4.998 4.527 -0.002 0.000 0.319 730 F C -1.491 174.369 175.800 0.100 0.000 1.174 730 F CA -1.119 56.979 58.000 0.164 0.000 0.903 730 F CB 0.660 39.791 39.000 0.218 0.000 1.357 730 F HN 0.113 nan 8.300 nan 0.000 0.472 731 Q N 1.137 121.012 119.800 0.126 0.000 2.257 731 Q HA 0.836 5.175 4.340 -0.002 0.000 0.262 731 Q C -0.900 175.085 176.000 -0.025 0.000 0.997 731 Q CA -0.831 54.954 55.803 -0.029 0.000 0.873 731 Q CB 2.235 31.008 28.738 0.059 0.000 1.312 731 Q HN 1.062 nan 8.270 nan 0.000 0.450 732 A N 1.562 124.332 122.820 -0.084 0.000 2.594 732 A HA 0.853 5.172 4.320 -0.002 0.000 0.291 732 A C -1.452 176.050 177.584 -0.137 0.000 1.105 732 A CA -0.558 51.455 52.037 -0.041 0.000 0.694 732 A CB 2.030 21.069 19.000 0.064 0.000 1.291 732 A HN 0.609 nan 8.150 nan 0.000 0.410 733 M N 1.177 120.680 119.600 -0.163 0.000 2.298 733 M HA 0.542 5.021 4.480 -0.002 0.000 0.255 733 M C -2.041 174.085 176.300 -0.289 0.000 1.021 733 M CA -0.552 54.494 55.300 -0.424 0.000 0.968 733 M CB 0.951 33.192 32.600 -0.598 0.000 2.037 733 M HN 1.005 nan 8.290 nan 0.000 0.478 734 W N 4.351 125.484 121.300 -0.279 0.000 2.448 734 W HA 0.778 5.437 4.660 -0.002 0.000 0.339 734 W C -1.946 174.297 176.519 -0.459 0.000 1.124 734 W CA -0.813 56.450 57.345 -0.137 0.000 1.262 734 W CB 0.358 29.784 29.460 -0.056 0.000 1.251 734 W HN 0.617 nan 8.180 nan 0.000 0.597 735 Y N 2.358 122.796 120.300 0.231 0.000 2.555 735 Y HA 0.260 4.809 4.550 -0.002 0.000 0.326 735 Y C 0.751 176.764 175.900 0.188 0.000 0.984 735 Y CA -1.156 56.999 58.100 0.091 0.000 1.298 735 Y CB 1.270 39.752 38.460 0.036 0.000 1.094 735 Y HN 0.616 nan 8.280 nan 0.000 0.500 736 T N 3.228 117.957 114.554 0.291 0.000 2.831 736 T HA 0.029 4.378 4.350 -0.002 0.000 0.291 736 T C 0.432 175.201 174.700 0.116 0.000 0.981 736 T CA 0.777 62.970 62.100 0.155 0.000 1.174 736 T CB -0.146 68.739 68.868 0.028 0.000 0.929 736 T HN 0.808 nan 8.240 nan 0.000 0.532 737 D N 1.739 122.202 120.400 0.104 0.000 3.028 737 D HA -0.108 4.531 4.640 -0.002 0.000 0.207 737 D C -0.052 176.399 176.300 0.252 0.000 1.100 737 D CA 1.043 55.076 54.000 0.055 0.000 0.995 737 D CB -0.574 40.072 40.800 -0.257 0.000 1.108 737 D HN 0.643 nan 8.370 nan 0.000 0.421 738 E N 0.878 121.235 120.200 0.262 0.000 2.277 738 E HA 0.359 4.708 4.350 -0.002 0.000 0.274 738 E C 0.690 177.478 176.600 0.313 0.000 1.022 738 E CA -0.336 56.232 56.400 0.280 0.000 0.853 738 E CB 1.305 31.156 29.700 0.252 0.000 1.086 738 E HN 0.329 nan 8.360 nan 0.000 0.397 739 D N -0.346 120.248 120.400 0.323 0.000 2.511 739 D HA -0.005 4.634 4.640 -0.002 0.000 0.283 739 D C 1.082 177.610 176.300 0.381 0.000 1.198 739 D CA -0.164 54.048 54.000 0.354 0.000 1.097 739 D CB -0.155 40.877 40.800 0.387 0.000 1.160 739 D HN 0.407 nan 8.370 nan 0.000 0.589 740 H N -1.652 117.601 119.070 0.306 0.000 2.489 740 H HA 0.084 4.638 4.556 -0.002 0.000 0.295 740 H C 1.880 177.461 175.328 0.423 0.000 1.082 740 H CA 2.050 58.301 56.048 0.338 0.000 1.295 740 H CB -0.345 29.602 29.762 0.308 0.000 1.380 740 H HN 0.487 nan 8.280 nan 0.000 0.548 741 G N -0.411 108.570 108.800 0.302 0.000 2.603 741 G HA2 0.016 3.975 3.960 -0.002 0.000 0.214 741 G HA3 0.016 3.975 3.960 -0.002 0.000 0.214 741 G C 0.664 175.740 174.900 0.293 0.000 1.140 741 G CA 0.269 45.471 45.100 0.170 0.000 0.800 741 G HN 0.501 nan 8.290 nan 0.000 0.533 742 I N 0.223 120.985 120.570 0.320 0.000 5.115 742 I HA -0.328 3.841 4.170 -0.002 0.000 0.126 742 I C 1.521 177.772 176.117 0.223 0.000 1.316 742 I CA 0.180 61.625 61.300 0.241 0.000 2.641 742 I CB -1.171 36.954 38.000 0.209 0.000 2.272 742 I HN 0.267 nan 8.210 nan 0.000 0.321 743 A N 1.139 124.061 122.820 0.170 0.000 2.390 743 A HA 0.275 4.594 4.320 -0.002 0.000 0.232 743 A C 1.183 178.816 177.584 0.083 0.000 1.233 743 A CA 0.546 52.648 52.037 0.107 0.000 0.907 743 A CB 0.144 19.166 19.000 0.037 0.000 0.967 743 A HN 0.646 nan 8.150 nan 0.000 0.512 744 S N -0.348 115.418 115.700 0.110 0.000 2.568 744 S HA 0.133 4.602 4.470 -0.002 0.000 0.282 744 S C 1.237 175.897 174.600 0.100 0.000 1.338 744 S CA 0.388 58.646 58.200 0.096 0.000 1.045 744 S CB 1.017 64.282 63.200 0.109 0.000 0.873 744 S HN 0.488 nan 8.310 nan 0.000 0.516 745 S N 2.224 117.969 115.700 0.075 0.000 2.368 745 S HA -0.208 4.261 4.470 -0.002 0.000 0.226 745 S C 2.132 176.800 174.600 0.114 0.000 1.044 745 S CA 2.476 60.724 58.200 0.080 0.000 1.062 745 S CB -1.631 61.597 63.200 0.047 0.000 0.931 745 S HN 1.071 nan 8.310 nan 0.000 0.440 746 T N -0.108 114.501 114.554 0.093 0.000 2.777 746 T HA 0.138 4.487 4.350 -0.002 0.000 0.266 746 T C 1.984 176.750 174.700 0.110 0.000 1.040 746 T CA 1.404 63.561 62.100 0.096 0.000 1.141 746 T CB -0.982 67.933 68.868 0.079 0.000 0.868 746 T HN 0.478 nan 8.240 nan 0.000 0.444 747 A N 1.450 124.317 122.820 0.078 0.000 1.933 747 A HA -0.099 4.220 4.320 -0.002 0.000 0.218 747 A C 2.203 179.758 177.584 -0.048 0.000 1.175 747 A CA 2.050 54.069 52.037 -0.029 0.000 0.628 747 A CB -1.235 17.720 19.000 -0.074 0.000 0.814 747 A HN 0.760 nan 8.150 nan 0.000 0.444 748 H N -0.083 118.985 119.070 -0.003 0.000 2.290 748 H HA -0.143 4.412 4.556 -0.002 0.000 0.298 748 H C 2.115 177.525 175.328 0.137 0.000 1.087 748 H CA 2.385 58.485 56.048 0.086 0.000 1.291 748 H CB -0.233 29.578 29.762 0.083 0.000 1.369 748 H HN 0.582 nan 8.280 nan 0.000 0.492 749 Q N -1.062 118.736 119.800 -0.004 0.000 2.119 749 Q HA -0.180 4.159 4.340 -0.002 0.000 0.201 749 Q C 2.222 178.210 176.000 -0.021 0.000 0.972 749 Q CA 1.282 57.046 55.803 -0.066 0.000 0.847 749 Q CB -0.182 28.560 28.738 0.007 0.000 0.903 749 Q HN 0.623 nan 8.270 nan 0.000 0.433 750 H N 0.865 119.914 119.070 -0.035 0.000 2.357 750 H HA -0.068 4.487 4.556 -0.002 0.000 0.301 750 H C 1.979 177.309 175.328 0.003 0.000 1.082 750 H CA 1.299 57.359 56.048 0.021 0.000 1.342 750 H CB -0.025 29.796 29.762 0.099 0.000 1.389 750 H HN 0.285 nan 8.280 nan 0.000 0.511 751 I N 0.007 120.566 120.570 -0.019 0.000 2.315 751 I HA -0.301 3.868 4.170 -0.002 0.000 0.248 751 I C 1.689 177.590 176.117 -0.360 0.000 1.117 751 I CA 1.129 62.327 61.300 -0.171 0.000 1.404 751 I CB -0.266 37.425 38.000 -0.516 0.000 1.071 751 I HN 0.111 nan 8.210 nan 0.000 0.419 752 Y N 0.870 120.971 120.300 -0.332 0.000 2.373 752 Y HA -0.159 4.390 4.550 -0.002 0.000 0.293 752 Y C 2.646 178.343 175.900 -0.338 0.000 1.129 752 Y CA 1.638 59.421 58.100 -0.528 0.000 1.226 752 Y CB -0.598 37.556 38.460 -0.511 0.000 1.000 752 Y HN 0.153 nan 8.280 nan 0.000 0.549 753 T N -1.985 112.502 114.554 -0.112 0.000 2.851 753 T HA -0.170 4.179 4.350 -0.002 0.000 0.262 753 T C 1.534 176.142 174.700 -0.154 0.000 1.043 753 T CA 1.584 63.589 62.100 -0.159 0.000 1.140 753 T CB -0.355 68.417 68.868 -0.161 0.000 0.872 753 T HN 0.390 nan 8.240 nan 0.000 0.446 754 H N 0.924 119.899 119.070 -0.159 0.000 2.353 754 H HA 0.124 4.679 4.556 -0.002 0.000 0.300 754 H C 2.108 177.439 175.328 0.005 0.000 1.090 754 H CA 1.508 57.538 56.048 -0.030 0.000 1.327 754 H CB -0.190 29.551 29.762 -0.035 0.000 1.383 754 H HN 0.242 nan 8.280 nan 0.000 0.508 755 M N -0.978 118.591 119.600 -0.052 0.000 2.254 755 M HA -0.122 4.357 4.480 -0.002 0.000 0.265 755 M C 2.345 178.772 176.300 0.212 0.000 1.066 755 M CA 1.170 56.431 55.300 -0.065 0.000 1.123 755 M CB 0.177 32.477 32.600 -0.501 0.000 1.388 755 M HN 0.180 nan 8.290 nan 0.000 0.425 756 S N -0.642 115.196 115.700 0.230 0.000 2.355 756 S HA -0.131 4.338 4.470 -0.002 0.000 0.222 756 S C 1.713 176.405 174.600 0.153 0.000 1.031 756 S CA 0.920 59.342 58.200 0.370 0.000 0.993 756 S CB -0.489 62.899 63.200 0.313 0.000 0.859 756 S HN 0.466 nan 8.310 nan 0.000 0.453 757 H N 0.010 119.144 119.070 0.107 0.000 2.319 757 H HA -0.069 4.486 4.556 -0.002 0.000 0.299 757 H C 1.992 177.329 175.328 0.014 0.000 1.092 757 H CA 1.420 57.482 56.048 0.023 0.000 1.302 757 H CB -0.799 28.919 29.762 -0.074 0.000 1.373 757 H HN 0.434 nan 8.280 nan 0.000 0.497 758 F N 1.311 121.262 119.950 0.001 0.000 2.095 758 F HA -0.206 4.320 4.527 -0.002 0.000 0.298 758 F C 2.360 178.125 175.800 -0.057 0.000 1.104 758 F CA 1.005 58.978 58.000 -0.045 0.000 1.232 758 F CB -0.322 38.640 39.000 -0.063 0.000 0.987 758 F HN -0.036 nan 8.300 nan 0.000 0.475 759 I N 0.791 121.399 120.570 0.063 0.000 2.179 759 I HA -0.282 3.887 4.170 -0.002 0.000 0.242 759 I C 2.253 178.180 176.117 -0.316 0.000 1.088 759 I CA 1.524 62.687 61.300 -0.228 0.000 1.357 759 I CB -1.310 36.624 38.000 -0.110 0.000 1.051 759 I HN 0.234 nan 8.210 nan 0.000 0.409 760 K N 0.283 120.640 120.400 -0.073 0.000 2.057 760 K HA -0.230 4.089 4.320 -0.002 0.000 0.207 760 K C 2.023 178.613 176.600 -0.016 0.000 1.049 760 K CA 1.131 57.426 56.287 0.014 0.000 0.931 760 K CB -0.330 32.224 32.500 0.089 0.000 0.714 760 K HN 0.408 nan 8.250 nan 0.000 0.440 761 Q N 1.395 121.144 119.800 -0.084 0.000 2.084 761 Q HA -0.210 4.129 4.340 -0.002 0.000 0.202 761 Q C 2.288 178.198 176.000 -0.149 0.000 0.978 761 Q CA 1.798 57.536 55.803 -0.108 0.000 0.844 761 Q CB -0.492 28.157 28.738 -0.148 0.000 0.898 761 Q HN 0.406 nan 8.270 nan 0.000 0.426 762 c N 0.126 118.540 118.600 -0.310 0.000 2.425 762 c HA -0.084 4.485 4.570 -0.002 0.000 0.277 762 c C 2.380 176.504 174.090 0.055 0.000 1.280 762 c CA 0.466 56.638 56.329 -0.261 0.000 1.744 762 c CB -1.323 40.879 42.510 -0.514 0.000 1.989 762 c HN 0.574 nan 8.230 nan 0.000 0.491 763 F N 1.019 120.935 119.950 -0.056 0.000 2.530 763 F HA 0.281 4.807 4.527 -0.002 0.000 0.292 763 F C 1.854 177.642 175.800 -0.020 0.000 1.109 763 F CA 0.211 58.198 58.000 -0.021 0.000 1.450 763 F CB -1.079 37.917 39.000 -0.007 0.000 1.114 763 F HN 0.110 nan 8.300 nan 0.000 0.560 764 S N 0.000 115.798 115.700 0.164 0.000 2.498 764 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 764 S CA 0.000 58.252 58.200 0.086 0.000 1.107 764 S CB 0.000 63.240 63.200 0.067 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517