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 2bgn_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.648 174.600 0.079 0.000 1.055 39 S CA 0.000 58.256 58.200 0.094 0.000 1.107 39 S CB 0.000 63.221 63.200 0.035 0.000 0.593 40 R N 1.903 122.458 120.500 0.091 0.000 1.177 40 R HA 0.557 4.897 4.340 0.000 0.000 0.084 40 R C 0.138 176.486 176.300 0.080 0.000 1.117 40 R CA -0.293 55.853 56.100 0.076 0.000 2.033 40 R CB 0.021 30.365 30.300 0.074 0.000 0.945 40 R HN 0.418 nan 8.270 nan 0.000 0.717 41 K N 0.094 120.546 120.400 0.085 0.000 2.258 41 K HA 0.479 4.799 4.320 0.000 0.000 0.236 41 K C -0.758 175.904 176.600 0.103 0.000 1.008 41 K CA -0.936 55.408 56.287 0.094 0.000 0.869 41 K CB 1.751 34.312 32.500 0.101 0.000 1.171 41 K HN 0.511 nan 8.250 nan 0.000 0.447 42 T N -2.492 112.131 114.554 0.115 0.000 2.923 42 T HA 0.208 4.558 4.350 0.000 0.000 0.281 42 T C -0.723 174.097 174.700 0.200 0.000 0.995 42 T CA -0.725 61.454 62.100 0.132 0.000 0.985 42 T CB 0.472 69.409 68.868 0.114 0.000 1.114 42 T HN 0.517 nan 8.240 nan 0.000 0.548 43 Y N 2.568 122.925 120.300 0.095 0.000 2.539 43 Y HA 0.365 4.915 4.550 0.000 0.000 0.352 43 Y C 0.983 177.040 175.900 0.263 0.000 1.004 43 Y CA -0.265 57.933 58.100 0.164 0.000 1.278 43 Y CB -0.258 38.257 38.460 0.091 0.000 1.136 43 Y HN 0.995 nan 8.280 nan 0.000 0.528 44 T N 2.291 116.876 114.554 0.053 0.000 2.881 44 T HA 0.140 4.490 4.350 0.000 0.000 0.278 44 T C 0.945 175.655 174.700 0.018 0.000 0.982 44 T CA -0.822 61.380 62.100 0.170 0.000 0.989 44 T CB 1.239 70.158 68.868 0.086 0.000 1.058 44 T HN 0.636 nan 8.240 nan 0.000 0.529 45 L N 0.991 122.113 121.223 -0.167 0.000 2.083 45 L HA 0.021 4.361 4.340 0.000 0.000 0.209 45 L C 2.612 179.379 176.870 -0.170 0.000 1.083 45 L CA 2.101 56.658 54.840 -0.472 0.000 0.752 45 L CB -1.535 40.142 42.059 -0.636 0.000 0.899 45 L HN 0.964 nan 8.230 nan 0.000 0.433 46 T N -0.652 113.827 114.554 -0.124 0.000 2.821 46 T HA -0.145 4.205 4.350 0.000 0.000 0.267 46 T C 1.447 176.075 174.700 -0.120 0.000 1.046 46 T CA 1.338 63.376 62.100 -0.102 0.000 1.139 46 T CB -0.339 68.486 68.868 -0.072 0.000 0.871 46 T HN 0.379 nan 8.240 nan 0.000 0.454 47 D N 0.121 120.417 120.400 -0.174 0.000 2.182 47 D HA -0.099 4.541 4.640 0.000 0.000 0.201 47 D C 1.653 177.858 176.300 -0.159 0.000 0.986 47 D CA 1.007 54.853 54.000 -0.257 0.000 0.847 47 D CB -0.236 40.282 40.800 -0.470 0.000 0.942 47 D HN 0.416 nan 8.370 nan 0.000 0.467 48 Y N 1.234 121.382 120.300 -0.254 0.000 2.153 48 Y HA -0.002 4.548 4.550 0.000 0.000 0.289 48 Y C 2.181 178.091 175.900 0.017 0.000 1.119 48 Y CA 1.008 59.115 58.100 0.010 0.000 1.116 48 Y CB -0.673 37.851 38.460 0.106 0.000 1.004 48 Y HN -0.137 nan 8.280 nan 0.000 0.501 49 L N 0.022 121.095 121.223 -0.250 0.000 2.056 49 L HA -0.165 4.175 4.340 0.000 0.000 0.207 49 L C 2.246 179.021 176.870 -0.158 0.000 1.078 49 L CA 1.358 55.995 54.840 -0.339 0.000 0.749 49 L CB -0.487 41.420 42.059 -0.253 0.000 0.901 49 L HN 0.057 nan 8.230 nan 0.000 0.433 50 K N -0.030 120.305 120.400 -0.108 0.000 2.400 50 K HA -0.019 4.301 4.320 0.000 0.000 0.194 50 K C 0.359 176.923 176.600 -0.059 0.000 1.033 50 K CA 0.149 56.391 56.287 -0.074 0.000 1.021 50 K CB -0.338 32.117 32.500 -0.075 0.000 0.808 50 K HN 0.357 nan 8.250 nan 0.000 0.505 51 N N 1.258 119.932 118.700 -0.042 0.000 2.780 51 N HA -0.182 4.558 4.740 0.000 0.000 0.247 51 N C 0.408 175.906 175.510 -0.020 0.000 1.076 51 N CA 0.462 53.523 53.050 0.018 0.000 0.688 51 N CB -0.762 37.737 38.487 0.020 0.000 0.957 51 N HN 0.284 nan 8.380 nan 0.000 0.551 52 T N -2.741 111.739 114.554 -0.123 0.000 2.951 52 T HA -0.091 4.259 4.350 0.000 0.000 0.268 52 T C 0.565 175.032 174.700 -0.389 0.000 1.073 52 T CA 1.046 62.963 62.100 -0.306 0.000 1.134 52 T CB -0.182 68.404 68.868 -0.470 0.000 0.884 52 T HN 0.358 nan 8.240 nan 0.000 0.479 53 Y N 1.909 122.290 120.300 0.135 0.000 2.593 53 Y HA 0.565 5.115 4.550 0.000 0.000 0.331 53 Y C 0.537 176.541 175.900 0.174 0.000 0.986 53 Y CA -1.628 56.578 58.100 0.177 0.000 1.262 53 Y CB 0.478 39.100 38.460 0.271 0.000 1.098 53 Y HN 0.014 nan 8.280 nan 0.000 0.506 54 R N 2.986 123.623 120.500 0.228 0.000 2.308 54 R HA 0.510 4.850 4.340 0.000 0.000 0.305 54 R C -0.920 175.494 176.300 0.189 0.000 1.053 54 R CA -0.457 55.749 56.100 0.177 0.000 0.957 54 R CB 0.618 30.984 30.300 0.110 0.000 1.022 54 R HN 0.668 nan 8.270 nan 0.000 0.461 55 L N 4.188 125.522 121.223 0.186 0.000 2.371 55 L HA 0.309 4.649 4.340 0.000 0.000 0.272 55 L C 0.363 177.322 176.870 0.148 0.000 1.124 55 L CA -0.133 54.815 54.840 0.180 0.000 0.816 55 L CB 1.083 43.264 42.059 0.202 0.000 1.129 55 L HN 0.477 nan 8.230 nan 0.000 0.448 56 K N 3.611 124.098 120.400 0.146 0.000 2.110 56 K HA 0.636 4.956 4.320 0.000 0.000 0.263 56 K C -0.693 175.981 176.600 0.123 0.000 0.975 56 K CA -0.614 55.743 56.287 0.116 0.000 0.895 56 K CB 1.848 34.409 32.500 0.101 0.000 1.060 56 K HN 0.412 nan 8.250 nan 0.000 0.448 57 L N 0.748 121.986 121.223 0.024 0.000 2.267 57 L HA 0.485 4.825 4.340 0.000 0.000 0.264 57 L C -0.800 175.844 176.870 -0.376 0.000 1.021 57 L CA -1.044 53.718 54.840 -0.129 0.000 0.861 57 L CB 0.739 42.793 42.059 -0.009 0.000 1.443 57 L HN 0.549 nan 8.230 nan 0.000 0.475 58 Y N 0.087 119.905 120.300 -0.804 0.000 2.520 58 Y HA 0.276 4.826 4.550 0.000 0.000 0.339 58 Y C -0.685 174.977 175.900 -0.396 0.000 1.113 58 Y CA -0.510 57.196 58.100 -0.656 0.000 1.255 58 Y CB 1.126 39.013 38.460 -0.957 0.000 1.099 58 Y HN 0.404 nan 8.280 nan 0.000 0.628 59 S N 5.252 120.808 115.700 -0.240 0.000 2.405 59 S HA 0.413 4.883 4.470 0.000 0.000 0.291 59 S C -0.458 174.038 174.600 -0.173 0.000 1.137 59 S CA -0.428 57.694 58.200 -0.129 0.000 1.061 59 S CB -0.414 62.764 63.200 -0.038 0.000 1.001 59 S HN 0.543 nan 8.310 nan 0.000 0.507 60 L N 1.245 122.304 121.223 -0.274 0.000 2.330 60 L HA 0.803 5.143 4.340 0.000 0.000 0.271 60 L C -0.126 176.599 176.870 -0.242 0.000 1.013 60 L CA -0.799 53.823 54.840 -0.363 0.000 0.816 60 L CB 0.895 42.396 42.059 -0.929 0.000 1.287 60 L HN 0.236 nan 8.230 nan 0.000 0.435 61 R N 1.729 122.148 120.500 -0.135 0.000 2.422 61 R HA 0.302 4.642 4.340 0.000 0.000 0.307 61 R C -1.760 174.554 176.300 0.024 0.000 1.004 61 R CA -0.562 55.534 56.100 -0.006 0.000 0.882 61 R CB 0.796 31.168 30.300 0.120 0.000 1.164 61 R HN 0.872 nan 8.270 nan 0.000 0.489 62 W N 5.079 126.453 121.300 0.124 0.000 2.264 62 W HA 0.054 4.714 4.660 0.000 0.000 0.331 62 W C 1.828 178.402 176.519 0.093 0.000 1.364 62 W CA -0.242 57.184 57.345 0.134 0.000 1.253 62 W CB 0.528 30.065 29.460 0.129 0.000 1.215 62 W HN 0.621 nan 8.180 nan 0.000 0.561 63 I N 0.129 120.894 120.570 0.326 0.000 4.323 63 I HA 0.266 4.436 4.170 0.000 0.000 0.328 63 I C 0.783 176.964 176.117 0.107 0.000 1.310 63 I CA 0.111 61.501 61.300 0.150 0.000 1.186 63 I CB 0.162 38.172 38.000 0.017 0.000 1.130 63 I HN 0.248 nan 8.210 nan 0.000 0.411 64 S N -0.643 115.136 115.700 0.131 0.000 2.973 64 S HA 0.347 4.817 4.470 0.000 0.000 0.317 64 S C 0.254 174.851 174.600 -0.005 0.000 1.196 64 S CA -0.131 58.063 58.200 -0.009 0.000 0.894 64 S CB 1.027 64.106 63.200 -0.202 0.000 1.292 64 S HN 0.067 nan 8.310 nan 0.000 0.614 65 D N 0.462 120.800 120.400 -0.104 0.000 2.178 65 D HA -0.023 4.617 4.640 0.000 0.000 0.201 65 D C 1.179 177.568 176.300 0.149 0.000 0.980 65 D CA 2.146 56.156 54.000 0.016 0.000 0.842 65 D CB -0.189 40.683 40.800 0.120 0.000 0.948 65 D HN 0.812 nan 8.370 nan 0.000 0.472 66 H N -3.102 116.090 119.070 0.203 0.000 3.367 66 H HA 0.541 5.097 4.556 0.000 0.000 0.257 66 H C -0.287 175.129 175.328 0.147 0.000 1.201 66 H CA -0.584 55.542 56.048 0.131 0.000 1.102 66 H CB 0.027 29.861 29.762 0.120 0.000 1.656 66 H HN -0.130 nan 8.280 nan 0.000 0.662 67 E N 0.837 121.150 120.200 0.189 0.000 2.288 67 E HA 0.429 4.779 4.350 0.000 0.000 0.268 67 E C -1.523 175.249 176.600 0.288 0.000 0.885 67 E CA -1.418 55.082 56.400 0.168 0.000 0.767 67 E CB 2.506 32.230 29.700 0.040 0.000 1.220 67 E HN 0.338 nan 8.360 nan 0.000 0.427 68 Y N -0.111 120.200 120.300 0.019 0.000 2.644 68 Y HA 0.674 5.224 4.550 0.000 0.000 0.338 68 Y C -1.780 174.053 175.900 -0.111 0.000 1.119 68 Y CA -1.313 56.687 58.100 -0.167 0.000 1.060 68 Y CB 0.831 38.870 38.460 -0.702 0.000 1.294 68 Y HN 0.315 nan 8.280 nan 0.000 0.472 69 L N 2.577 123.878 121.223 0.129 0.000 2.334 69 L HA 0.566 4.906 4.340 0.000 0.000 0.273 69 L C -1.441 175.553 176.870 0.206 0.000 1.013 69 L CA -1.082 53.800 54.840 0.069 0.000 0.816 69 L CB 1.909 43.926 42.059 -0.070 0.000 1.278 69 L HN 0.774 nan 8.230 nan 0.000 0.431 70 Y N 2.183 122.479 120.300 -0.006 0.000 2.441 70 Y HA 0.377 4.927 4.550 0.000 0.000 0.334 70 Y C -0.917 174.943 175.900 -0.067 0.000 1.061 70 Y CA -1.351 56.674 58.100 -0.125 0.000 1.032 70 Y CB 1.720 39.989 38.460 -0.319 0.000 1.266 70 Y HN 0.489 nan 8.280 nan 0.000 0.441 71 K N 4.743 124.775 120.400 -0.614 0.000 2.183 71 K HA 0.450 4.770 4.320 0.000 0.000 0.274 71 K C -1.243 174.883 176.600 -0.791 0.000 1.009 71 K CA -0.466 55.527 56.287 -0.489 0.000 0.888 71 K CB 0.906 33.283 32.500 -0.204 0.000 1.078 71 K HN 0.824 nan 8.250 nan 0.000 0.459 72 Q N 3.928 123.466 119.800 -0.437 0.000 2.275 72 Q HA 0.091 4.431 4.340 0.000 0.000 0.258 72 Q C -1.148 174.772 176.000 -0.134 0.000 0.960 72 Q CA -0.212 55.405 55.803 -0.311 0.000 0.801 72 Q CB 1.258 29.884 28.738 -0.186 0.000 1.302 72 Q HN 0.874 nan 8.270 nan 0.000 0.433 73 E N 2.994 123.136 120.200 -0.097 0.000 2.494 73 E HA -0.357 3.994 4.350 0.000 0.000 0.249 73 E C -0.643 175.926 176.600 -0.052 0.000 1.184 73 E CA 0.820 57.189 56.400 -0.052 0.000 0.727 73 E CB -0.791 28.893 29.700 -0.026 0.000 1.281 73 E HN 0.902 nan 8.360 nan 0.000 0.405 74 N N -1.381 117.277 118.700 -0.071 0.000 2.882 74 N HA -0.157 4.583 4.740 0.000 0.000 0.249 74 N C -1.206 174.274 175.510 -0.050 0.000 1.079 74 N CA 1.286 54.305 53.050 -0.052 0.000 0.800 74 N CB -1.383 37.086 38.487 -0.029 0.000 1.124 74 N HN 0.344 nan 8.380 nan 0.000 0.557 75 N N 0.936 119.595 118.700 -0.068 0.000 2.354 75 N HA 0.485 5.225 4.740 0.000 0.000 0.287 75 N C 0.179 175.645 175.510 -0.074 0.000 1.016 75 N CA -0.674 52.344 53.050 -0.054 0.000 0.871 75 N CB 1.416 39.883 38.487 -0.034 0.000 1.299 75 N HN 0.187 nan 8.380 nan 0.000 0.482 76 I N 0.210 120.740 120.570 -0.066 0.000 2.396 76 I HA 0.351 4.521 4.170 0.000 0.000 0.289 76 I C -0.746 175.399 176.117 0.046 0.000 1.056 76 I CA -0.344 60.911 61.300 -0.075 0.000 1.365 76 I CB 0.071 37.958 38.000 -0.188 0.000 1.407 76 I HN 0.213 nan 8.210 nan 0.000 0.509 77 L N 6.649 127.917 121.223 0.074 0.000 2.330 77 L HA 0.667 5.007 4.340 0.000 0.000 0.271 77 L C -0.171 176.786 176.870 0.145 0.000 1.013 77 L CA -1.139 53.782 54.840 0.135 0.000 0.816 77 L CB 2.096 44.279 42.059 0.206 0.000 1.287 77 L HN 0.520 nan 8.230 nan 0.000 0.435 78 V N 1.732 121.681 119.914 0.059 0.000 2.459 78 V HA 0.516 4.636 4.120 0.000 0.000 0.295 78 V C -0.930 175.123 176.094 -0.069 0.000 1.029 78 V CA -0.187 62.101 62.300 -0.019 0.000 0.874 78 V CB 1.329 33.098 31.823 -0.089 0.000 0.985 78 V HN 0.497 nan 8.190 nan 0.000 0.438 79 F N 4.968 124.634 119.950 -0.472 0.000 2.458 79 F HA 0.489 5.016 4.527 0.000 0.000 0.330 79 F C 0.636 176.183 175.800 -0.422 0.000 1.082 79 F CA -0.611 57.068 58.000 -0.535 0.000 0.995 79 F CB 1.674 40.070 39.000 -1.007 0.000 1.170 79 F HN 0.490 nan 8.300 nan 0.000 0.478 80 N N 2.096 120.750 118.700 -0.077 0.000 2.420 80 N HA 0.198 4.939 4.740 0.000 0.000 0.249 80 N C 0.558 176.043 175.510 -0.041 0.000 1.033 80 N CA 0.113 53.161 53.050 -0.004 0.000 0.944 80 N CB 1.657 40.192 38.487 0.079 0.000 1.113 80 N HN 0.844 nan 8.380 nan 0.000 0.502 81 A N 3.860 126.620 122.820 -0.101 0.000 1.892 81 A HA -0.230 4.090 4.320 0.000 0.000 0.218 81 A C 1.935 179.322 177.584 -0.329 0.000 1.188 81 A CA 1.732 53.624 52.037 -0.242 0.000 0.631 81 A CB -0.437 18.138 19.000 -0.708 0.000 0.822 81 A HN 0.757 nan 8.150 nan 0.000 0.447 82 E N -0.849 119.104 120.200 -0.412 0.000 2.017 82 E HA -0.158 4.192 4.350 0.000 0.000 0.193 82 E C 1.659 178.007 176.600 -0.419 0.000 0.997 82 E CA 1.944 58.077 56.400 -0.446 0.000 0.804 82 E CB -0.454 28.764 29.700 -0.804 0.000 0.757 82 E HN 0.750 nan 8.360 nan 0.000 0.448 83 Y N -1.782 118.524 120.300 0.009 0.000 2.503 83 Y HA 0.265 4.815 4.550 0.000 0.000 0.278 83 Y C 1.732 177.635 175.900 0.005 0.000 1.111 83 Y CA 0.177 58.279 58.100 0.004 0.000 1.270 83 Y CB 0.609 39.062 38.460 -0.012 0.000 1.063 83 Y HN 0.281 nan 8.280 nan 0.000 0.548 84 G N 0.809 109.680 108.800 0.119 0.000 2.205 84 G HA2 -0.335 3.625 3.960 0.000 0.000 0.261 84 G HA3 -0.335 3.625 3.960 0.000 0.000 0.261 84 G C 0.090 175.015 174.900 0.042 0.000 0.980 84 G CA 0.215 45.392 45.100 0.128 0.000 0.632 84 G HN 0.466 nan 8.290 nan 0.000 0.533 85 N N 0.717 119.422 118.700 0.007 0.000 2.444 85 N HA 0.484 5.224 4.740 0.000 0.000 0.255 85 N C -0.093 175.245 175.510 -0.287 0.000 1.255 85 N CA 0.808 53.792 53.050 -0.110 0.000 0.933 85 N CB 1.301 39.756 38.487 -0.054 0.000 1.143 85 N HN 1.063 nan 8.380 nan 0.000 0.453 86 S N -0.954 114.510 115.700 -0.393 0.000 2.546 86 S HA 0.482 4.952 4.470 0.000 0.000 0.272 86 S C -0.990 173.428 174.600 -0.302 0.000 1.140 86 S CA -0.954 56.910 58.200 -0.560 0.000 0.920 86 S CB 1.149 63.586 63.200 -1.272 0.000 1.083 86 S HN 0.536 nan 8.310 nan 0.000 0.476 87 S N 1.415 116.999 115.700 -0.195 0.000 2.608 87 S HA 0.576 5.046 4.470 0.000 0.000 0.291 87 S C -0.101 174.473 174.600 -0.043 0.000 1.146 87 S CA -0.699 57.448 58.200 -0.088 0.000 1.043 87 S CB 1.322 64.507 63.200 -0.025 0.000 1.037 87 S HN 0.716 nan 8.310 nan 0.000 0.520 88 V N 3.621 123.523 119.914 -0.021 0.000 2.479 88 V HA 0.105 4.225 4.120 0.000 0.000 0.281 88 V C 0.447 176.581 176.094 0.067 0.000 1.031 88 V CA 0.375 62.682 62.300 0.012 0.000 1.038 88 V CB 0.195 32.005 31.823 -0.022 0.000 0.981 88 V HN 0.968 nan 8.190 nan 0.000 0.478 89 F N 5.316 125.230 119.950 -0.061 0.000 2.317 89 F HA 0.440 4.967 4.527 0.000 0.000 0.290 89 F C 0.477 176.242 175.800 -0.060 0.000 1.075 89 F CA 0.473 58.438 58.000 -0.058 0.000 1.380 89 F CB 0.625 39.588 39.000 -0.062 0.000 1.093 89 F HN 0.366 nan 8.300 nan 0.000 0.524 90 L N 0.593 121.791 121.223 -0.041 0.000 2.592 90 L HA 0.308 4.648 4.340 0.000 0.000 0.258 90 L C -1.529 175.301 176.870 -0.066 0.000 0.926 90 L CA -0.567 54.196 54.840 -0.128 0.000 0.885 90 L CB 1.809 43.792 42.059 -0.127 0.000 1.380 90 L HN -0.052 nan 8.230 nan 0.000 0.415 91 E N 1.950 122.093 120.200 -0.095 0.000 2.248 91 E HA 0.253 4.603 4.350 0.000 0.000 0.272 91 E C -0.103 176.465 176.600 -0.054 0.000 1.008 91 E CA -0.660 55.698 56.400 -0.071 0.000 0.856 91 E CB 0.831 30.482 29.700 -0.082 0.000 1.120 91 E HN 0.675 nan 8.360 nan 0.000 0.397 92 N N 0.875 119.556 118.700 -0.032 0.000 2.443 92 N HA -0.163 4.577 4.740 0.000 0.000 0.184 92 N C 1.127 176.626 175.510 -0.019 0.000 1.037 92 N CA 1.011 54.056 53.050 -0.009 0.000 0.896 92 N CB -0.418 38.063 38.487 -0.011 0.000 0.959 92 N HN 0.253 nan 8.380 nan 0.000 0.442 93 S N 0.512 116.180 115.700 -0.053 0.000 2.348 93 S HA -0.158 4.312 4.470 0.000 0.000 0.221 93 S C 1.883 176.410 174.600 -0.123 0.000 1.033 93 S CA 1.709 59.867 58.200 -0.070 0.000 1.010 93 S CB -1.214 61.939 63.200 -0.078 0.000 0.891 93 S HN 0.419 nan 8.310 nan 0.000 0.442 94 T N 1.911 116.327 114.554 -0.230 0.000 2.624 94 T HA -0.181 4.169 4.350 0.000 0.000 0.266 94 T C 0.844 175.188 174.700 -0.593 0.000 1.050 94 T CA 1.712 63.507 62.100 -0.508 0.000 1.163 94 T CB -0.572 67.793 68.868 -0.839 0.000 0.861 94 T HN 0.434 nan 8.240 nan 0.000 0.443 95 F N 1.026 120.935 119.950 -0.069 0.000 2.750 95 F HA 0.314 4.841 4.527 0.000 0.000 0.297 95 F C 1.242 177.056 175.800 0.024 0.000 1.138 95 F CA -1.042 56.947 58.000 -0.018 0.000 1.346 95 F CB -0.111 38.815 39.000 -0.123 0.000 0.965 95 F HN -0.026 nan 8.300 nan 0.000 0.514 96 D N 0.676 121.134 120.400 0.096 0.000 2.084 96 D HA -0.138 4.502 4.640 0.000 0.000 0.194 96 D C 0.696 177.044 176.300 0.081 0.000 0.990 96 D CA 1.417 55.458 54.000 0.067 0.000 0.826 96 D CB -0.024 40.786 40.800 0.016 0.000 0.971 96 D HN 0.269 nan 8.370 nan 0.000 0.453 97 E N -0.474 119.769 120.200 0.072 0.000 2.282 97 E HA 0.156 4.506 4.350 0.000 0.000 0.247 97 E C 0.042 176.713 176.600 0.118 0.000 1.113 97 E CA -0.306 56.126 56.400 0.053 0.000 1.095 97 E CB -0.108 29.595 29.700 0.004 0.000 1.328 97 E HN 0.140 nan 8.360 nan 0.000 0.463 98 F N 0.422 120.389 119.950 0.029 0.000 2.446 98 F HA 0.204 4.731 4.527 0.000 0.000 0.292 98 F C 1.741 177.467 175.800 -0.123 0.000 1.096 98 F CA 1.329 59.356 58.000 0.045 0.000 1.438 98 F CB 0.551 39.612 39.000 0.102 0.000 1.107 98 F HN 0.455 nan 8.300 nan 0.000 0.546 99 G N -0.693 108.022 108.800 -0.141 0.000 2.345 99 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 99 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 99 G C 0.209 174.832 174.900 -0.462 0.000 1.058 99 G CA 0.158 45.008 45.100 -0.417 0.000 0.632 99 G HN 0.460 nan 8.290 nan 0.000 0.508 100 H N 0.406 119.505 119.070 0.049 0.000 2.616 100 H HA 0.670 5.226 4.556 0.000 0.000 0.353 100 H C -0.181 175.208 175.328 0.101 0.000 1.170 100 H CA 0.135 56.208 56.048 0.042 0.000 1.212 100 H CB 1.580 31.223 29.762 -0.199 0.000 1.653 100 H HN 0.211 nan 8.280 nan 0.000 0.537 101 S N 1.675 117.483 115.700 0.181 0.000 2.448 101 S HA 0.208 4.678 4.470 0.000 0.000 0.279 101 S C 0.073 174.699 174.600 0.043 0.000 1.195 101 S CA -0.719 57.532 58.200 0.085 0.000 1.051 101 S CB -1.012 62.229 63.200 0.068 0.000 0.948 101 S HN 0.326 nan 8.310 nan 0.000 0.493 102 I N 6.068 126.596 120.570 -0.071 0.000 2.416 102 I HA 0.187 4.357 4.170 0.000 0.000 0.288 102 I C 1.719 177.769 176.117 -0.112 0.000 1.051 102 I CA -0.037 61.161 61.300 -0.169 0.000 1.375 102 I CB 0.687 38.459 38.000 -0.381 0.000 1.407 102 I HN 0.742 nan 8.210 nan 0.000 0.516 103 N N 3.531 122.171 118.700 -0.100 0.000 2.387 103 N HA -0.031 4.709 4.740 0.000 0.000 0.176 103 N C -0.196 175.223 175.510 -0.152 0.000 1.022 103 N CA 0.621 53.593 53.050 -0.129 0.000 0.883 103 N CB 0.559 38.967 38.487 -0.132 0.000 1.019 103 N HN 0.673 nan 8.380 nan 0.000 0.435 104 D N -1.111 119.208 120.400 -0.136 0.000 2.745 104 D HA 0.117 4.757 4.640 0.000 0.000 0.221 104 D C -1.177 175.074 176.300 -0.080 0.000 1.237 104 D CA -0.521 53.391 54.000 -0.146 0.000 0.781 104 D CB 0.829 41.533 40.800 -0.161 0.000 1.575 104 D HN 0.167 nan 8.370 nan 0.000 0.482 105 Y N 0.429 120.706 120.300 -0.038 0.000 2.418 105 Y HA 0.779 5.329 4.550 0.000 0.000 0.327 105 Y C -0.075 175.885 175.900 0.099 0.000 1.309 105 Y CA -0.794 57.306 58.100 0.001 0.000 1.423 105 Y CB 1.155 39.613 38.460 -0.003 0.000 1.423 105 Y HN 0.200 nan 8.280 nan 0.000 0.532 106 S N 0.950 116.935 115.700 0.475 0.000 2.546 106 S HA 0.389 4.859 4.470 0.000 0.000 0.303 106 S C -1.766 173.180 174.600 0.576 0.000 1.067 106 S CA -0.706 57.775 58.200 0.469 0.000 0.944 106 S CB -0.257 63.163 63.200 0.366 0.000 1.155 106 S HN 0.719 nan 8.310 nan 0.000 0.449 107 I N 4.618 125.424 120.570 0.393 0.000 2.339 107 I HA 0.345 4.515 4.170 0.000 0.000 0.290 107 I C 0.901 176.854 176.117 -0.274 0.000 0.994 107 I CA -0.700 60.690 61.300 0.150 0.000 1.191 107 I CB 1.893 39.980 38.000 0.144 0.000 1.343 107 I HN 0.807 nan 8.210 nan 0.000 0.458 108 S N 6.340 121.529 115.700 -0.853 0.000 2.558 108 S HA 0.061 4.531 4.470 0.000 0.000 0.293 108 S C -1.725 172.585 174.600 -0.484 0.000 1.292 108 S CA -0.734 56.647 58.200 -1.366 0.000 1.063 108 S CB 0.548 62.864 63.200 -1.473 0.000 0.831 108 S HN 0.430 nan 8.310 nan 0.000 0.499 109 P HA -0.190 nan 4.420 nan 0.000 0.217 109 P C 0.879 178.126 177.300 -0.088 0.000 1.158 109 P CA 1.845 64.865 63.100 -0.133 0.000 0.887 109 P CB -0.189 31.451 31.700 -0.099 0.000 0.792 110 D N -1.656 118.696 120.400 -0.081 0.000 2.332 110 D HA 0.041 4.681 4.640 0.000 0.000 0.244 110 D C 1.411 177.725 176.300 0.025 0.000 1.136 110 D CA 0.624 54.620 54.000 -0.006 0.000 0.884 110 D CB -1.327 39.497 40.800 0.040 0.000 0.906 110 D HN 0.266 nan 8.370 nan 0.000 0.520 111 G N 0.319 109.121 108.800 0.003 0.000 2.238 111 G HA2 -0.465 3.495 3.960 0.000 0.000 0.270 111 G HA3 -0.465 3.495 3.960 0.000 0.000 0.270 111 G C 1.086 176.039 174.900 0.089 0.000 0.977 111 G CA 0.790 45.944 45.100 0.090 0.000 0.639 111 G HN 0.492 nan 8.290 nan 0.000 0.544 112 Q N -1.399 118.405 119.800 0.006 0.000 2.187 112 Q HA 0.337 4.677 4.340 0.000 0.000 0.199 112 Q C 0.443 176.158 176.000 -0.476 0.000 0.957 112 Q CA 0.686 56.362 55.803 -0.211 0.000 0.857 112 Q CB 0.204 28.813 28.738 -0.215 0.000 0.929 112 Q HN 0.593 nan 8.270 nan 0.000 0.453 113 F N -0.728 119.203 119.950 -0.031 0.000 2.593 113 F HA 0.514 5.041 4.527 0.000 0.000 0.320 113 F C -0.375 175.507 175.800 0.135 0.000 1.060 113 F CA -1.137 56.905 58.000 0.070 0.000 0.940 113 F CB 1.790 40.861 39.000 0.118 0.000 1.268 113 F HN -0.187 nan 8.300 nan 0.000 0.475 114 I N 3.027 123.919 120.570 0.537 0.000 2.569 114 I HA 0.410 4.580 4.170 0.000 0.000 0.290 114 I C -1.974 174.467 176.117 0.540 0.000 1.088 114 I CA -0.827 60.762 61.300 0.482 0.000 1.047 114 I CB 1.898 40.111 38.000 0.356 0.000 1.237 114 I HN 0.498 nan 8.210 nan 0.000 0.421 115 L N 8.305 129.863 121.223 0.558 0.000 2.309 115 L HA 0.575 4.915 4.340 0.000 0.000 0.282 115 L C -1.410 175.607 176.870 0.245 0.000 1.036 115 L CA -0.192 54.896 54.840 0.413 0.000 0.806 115 L CB 1.356 43.633 42.059 0.363 0.000 1.220 115 L HN 0.460 nan 8.230 nan 0.000 0.429 116 L N 4.631 125.951 121.223 0.162 0.000 2.356 116 L HA 0.538 4.878 4.340 0.000 0.000 0.277 116 L C -0.441 176.427 176.870 -0.003 0.000 0.996 116 L CA -0.498 54.330 54.840 -0.020 0.000 0.822 116 L CB 1.788 43.682 42.059 -0.276 0.000 1.256 116 L HN 0.599 nan 8.230 nan 0.000 0.413 117 E N 3.484 123.618 120.200 -0.111 0.000 2.134 117 E HA 0.448 4.798 4.350 0.000 0.000 0.278 117 E C -1.605 174.888 176.600 -0.177 0.000 0.959 117 E CA -0.517 55.677 56.400 -0.344 0.000 0.783 117 E CB 1.032 30.596 29.700 -0.227 0.000 1.095 117 E HN 0.448 nan 8.360 nan 0.000 0.399 118 Y N 1.740 121.840 120.300 -0.333 0.000 2.669 118 Y HA 0.472 5.022 4.550 0.000 0.000 0.335 118 Y C -0.008 175.797 175.900 -0.159 0.000 1.116 118 Y CA -1.580 56.413 58.100 -0.179 0.000 1.081 118 Y CB 0.595 39.006 38.460 -0.081 0.000 1.297 118 Y HN 0.474 nan 8.280 nan 0.000 0.484 119 N N -0.640 118.099 118.700 0.065 0.000 2.725 119 N HA -0.305 4.435 4.740 0.000 0.000 0.249 119 N C -0.917 174.582 175.510 -0.019 0.000 1.103 119 N CA 0.970 54.021 53.050 0.001 0.000 0.707 119 N CB -1.754 36.672 38.487 -0.102 0.000 1.043 119 N HN 0.892 nan 8.380 nan 0.000 0.553 120 Y N 0.407 120.637 120.300 -0.116 0.000 2.717 120 Y HA 0.199 4.749 4.550 0.000 0.000 0.330 120 Y C 0.188 176.052 175.900 -0.062 0.000 1.217 120 Y CA 0.184 58.208 58.100 -0.127 0.000 1.506 120 Y CB 0.646 38.981 38.460 -0.208 0.000 1.268 120 Y HN -0.010 nan 8.280 nan 0.000 0.561 121 V N 7.696 127.349 119.914 -0.435 0.000 2.488 121 V HA 0.196 4.316 4.120 0.000 0.000 0.293 121 V C -0.345 175.482 176.094 -0.446 0.000 1.027 121 V CA -1.482 60.653 62.300 -0.275 0.000 0.862 121 V CB 1.325 33.067 31.823 -0.135 0.000 1.008 121 V HN 0.741 nan 8.190 nan 0.000 0.428 122 K N 3.314 123.526 120.400 -0.312 0.000 2.355 122 K HA 0.251 4.571 4.320 0.000 0.000 0.270 122 K C 0.355 176.843 176.600 -0.186 0.000 1.003 122 K CA 0.156 56.329 56.287 -0.190 0.000 0.957 122 K CB 1.308 33.871 32.500 0.105 0.000 0.939 122 K HN 0.837 nan 8.250 nan 0.000 0.482 123 Q N 2.643 122.303 119.800 -0.233 0.000 2.729 123 Q HA 0.175 4.516 4.340 0.000 0.000 0.228 123 Q C -0.097 175.712 176.000 -0.319 0.000 1.021 123 Q CA -0.337 55.159 55.803 -0.512 0.000 0.561 123 Q CB 0.150 28.412 28.738 -0.793 0.000 3.921 123 Q HN 0.701 nan 8.270 nan 0.000 0.430 124 W N -0.034 121.264 121.300 -0.002 0.000 2.240 124 W HA 0.348 5.008 4.660 0.000 0.000 0.576 124 W C 1.674 178.177 176.519 -0.027 0.000 1.811 124 W CA -0.730 56.639 57.345 0.041 0.000 1.962 124 W CB -0.107 29.364 29.460 0.020 0.000 2.620 124 W HN 0.349 nan 8.180 nan 0.000 0.753 125 R N -0.309 120.295 120.500 0.174 0.000 2.112 125 R HA -0.208 4.132 4.340 0.000 0.000 0.242 125 R C 1.666 177.836 176.300 -0.217 0.000 1.137 125 R CA 2.369 58.386 56.100 -0.139 0.000 0.944 125 R CB -0.647 29.395 30.300 -0.429 0.000 0.857 125 R HN 0.499 nan 8.270 nan 0.000 0.435 126 H N -1.251 117.888 119.070 0.116 0.000 3.046 126 H HA 0.254 4.810 4.556 0.000 0.000 0.262 126 H C 0.161 175.546 175.328 0.094 0.000 1.044 126 H CA 0.389 56.526 56.048 0.148 0.000 1.209 126 H CB 0.368 30.203 29.762 0.121 0.000 1.507 126 H HN 0.222 nan 8.280 nan 0.000 0.507 127 S N 1.415 117.069 115.700 -0.077 0.000 2.592 127 S HA 0.417 4.887 4.470 0.000 0.000 0.271 127 S C -0.297 174.131 174.600 -0.288 0.000 1.326 127 S CA -0.513 57.295 58.200 -0.653 0.000 1.024 127 S CB 0.863 63.245 63.200 -1.364 0.000 0.921 127 S HN 0.465 nan 8.310 nan 0.000 0.527 128 Y N -2.266 117.850 120.300 -0.306 0.000 2.779 128 Y HA 0.699 5.249 4.550 0.000 0.000 0.340 128 Y C -0.781 175.041 175.900 -0.130 0.000 1.252 128 Y CA -0.954 56.957 58.100 -0.316 0.000 1.072 128 Y CB 0.542 38.679 38.460 -0.537 0.000 1.343 128 Y HN 0.867 nan 8.280 nan 0.000 0.450 129 T N -0.308 114.265 114.554 0.031 0.000 2.916 129 T HA 1.006 5.356 4.350 0.000 0.000 0.292 129 T C -0.673 174.086 174.700 0.098 0.000 1.055 129 T CA -0.154 61.995 62.100 0.082 0.000 1.009 129 T CB 1.799 70.680 68.868 0.023 0.000 1.118 129 T HN 1.868 nan 8.240 nan 0.000 0.497 130 A N 0.935 123.812 122.820 0.095 0.000 2.599 130 A HA 0.812 5.132 4.320 0.000 0.000 0.290 130 A C -0.590 176.838 177.584 -0.259 0.000 1.101 130 A CA -0.952 51.007 52.037 -0.128 0.000 0.674 130 A CB 1.266 20.127 19.000 -0.232 0.000 1.277 130 A HN 0.887 nan 8.150 nan 0.000 0.419 131 S N -0.755 114.568 115.700 -0.630 0.000 2.638 131 S HA 0.827 5.297 4.470 0.000 0.000 0.298 131 S C -1.531 172.417 174.600 -1.088 0.000 1.111 131 S CA -0.113 57.638 58.200 -0.748 0.000 1.027 131 S CB 0.800 63.422 63.200 -0.963 0.000 1.064 131 S HN 0.464 nan 8.310 nan 0.000 0.525 132 Y N 0.091 120.098 120.300 -0.488 0.000 2.504 132 Y HA 0.468 5.018 4.550 0.000 0.000 0.344 132 Y C -0.560 175.346 175.900 0.010 0.000 1.023 132 Y CA -0.863 57.107 58.100 -0.217 0.000 1.020 132 Y CB 1.895 40.213 38.460 -0.237 0.000 1.282 132 Y HN 0.496 nan 8.280 nan 0.000 0.454 133 D N 2.794 123.395 120.400 0.334 0.000 2.896 133 D HA 0.491 5.131 4.640 0.000 0.000 0.241 133 D C -0.899 175.591 176.300 0.317 0.000 1.188 133 D CA -0.301 53.917 54.000 0.363 0.000 0.879 133 D CB 2.557 43.720 40.800 0.605 0.000 1.553 133 D HN 0.400 nan 8.370 nan 0.000 0.515 134 I N 1.813 122.552 120.570 0.281 0.000 2.428 134 I HA 0.314 4.484 4.170 0.000 0.000 0.296 134 I C -0.671 175.725 176.117 0.464 0.000 0.985 134 I CA -0.899 60.610 61.300 0.348 0.000 1.260 134 I CB 1.253 39.399 38.000 0.243 0.000 1.389 134 I HN 0.263 nan 8.210 nan 0.000 0.484 135 Y N 4.814 125.349 120.300 0.392 0.000 2.338 135 Y HA 0.298 4.848 4.550 0.000 0.000 0.333 135 Y C -0.633 175.451 175.900 0.306 0.000 0.968 135 Y CA -0.958 57.357 58.100 0.357 0.000 1.123 135 Y CB 1.332 40.049 38.460 0.429 0.000 1.165 135 Y HN 0.522 nan 8.280 nan 0.000 0.452 136 D N 6.178 126.536 120.400 -0.070 0.000 2.336 136 D HA 0.099 4.739 4.640 0.000 0.000 0.249 136 D C 0.423 176.494 176.300 -0.381 0.000 1.213 136 D CA 0.251 54.088 54.000 -0.271 0.000 0.870 136 D CB 1.101 41.782 40.800 -0.198 0.000 1.076 136 D HN 0.866 nan 8.370 nan 0.000 0.483 137 L N 3.564 124.627 121.223 -0.266 0.000 2.478 137 L HA -0.046 4.294 4.340 0.000 0.000 0.223 137 L C 1.790 178.542 176.870 -0.197 0.000 1.140 137 L CA 0.193 54.958 54.840 -0.124 0.000 0.842 137 L CB -0.204 41.785 42.059 -0.117 0.000 0.953 137 L HN 0.323 nan 8.230 nan 0.000 0.452 138 N N 0.677 119.215 118.700 -0.269 0.000 2.176 138 N HA -0.072 4.668 4.740 0.000 0.000 0.187 138 N C 1.089 176.495 175.510 -0.172 0.000 1.043 138 N CA 1.101 54.032 53.050 -0.200 0.000 0.851 138 N CB -0.069 38.298 38.487 -0.200 0.000 1.018 138 N HN 0.165 nan 8.380 nan 0.000 0.436 139 K N 1.908 122.192 120.400 -0.194 0.000 2.790 139 K HA 0.155 4.475 4.320 0.000 0.000 0.229 139 K C -0.380 176.090 176.600 -0.216 0.000 1.040 139 K CA -0.185 56.003 56.287 -0.165 0.000 1.211 139 K CB 0.170 32.592 32.500 -0.131 0.000 1.002 139 K HN 0.044 nan 8.250 nan 0.000 0.479 140 R N 1.046 121.403 120.500 -0.237 0.000 2.841 140 R HA -0.246 4.094 4.340 0.000 0.000 0.224 140 R C -0.542 175.503 176.300 -0.425 0.000 0.809 140 R CA 1.042 56.986 56.100 -0.259 0.000 0.547 140 R CB -1.947 28.300 30.300 -0.089 0.000 1.099 140 R HN 0.549 nan 8.270 nan 0.000 0.503 141 Q N -0.762 118.564 119.800 -0.790 0.000 2.534 141 Q HA 0.483 4.823 4.340 0.000 0.000 0.290 141 Q C -0.956 174.736 176.000 -0.512 0.000 0.991 141 Q CA -1.137 54.342 55.803 -0.539 0.000 0.783 141 Q CB 1.645 30.247 28.738 -0.226 0.000 1.470 141 Q HN 0.112 nan 8.270 nan 0.000 0.406 142 L N 1.568 122.752 121.223 -0.066 0.000 2.326 142 L HA 0.295 4.635 4.340 0.000 0.000 0.278 142 L C -0.259 176.666 176.870 0.092 0.000 1.092 142 L CA -0.252 54.684 54.840 0.160 0.000 0.810 142 L CB 0.349 42.575 42.059 0.278 0.000 1.153 142 L HN 0.433 nan 8.230 nan 0.000 0.439 143 I N 2.604 123.255 120.570 0.135 0.000 2.517 143 I HA 0.038 4.208 4.170 0.000 0.000 0.285 143 I C 1.235 177.394 176.117 0.071 0.000 1.106 143 I CA 0.348 61.705 61.300 0.095 0.000 1.402 143 I CB 0.646 38.712 38.000 0.111 0.000 1.399 143 I HN 0.785 nan 8.210 nan 0.000 0.535 144 T N 2.630 117.207 114.554 0.038 0.000 3.037 144 T HA 0.083 4.433 4.350 0.000 0.000 0.251 144 T C 0.573 175.274 174.700 0.002 0.000 1.079 144 T CA -0.098 62.015 62.100 0.021 0.000 1.067 144 T CB 0.246 69.120 68.868 0.010 0.000 0.948 144 T HN 0.660 nan 8.240 nan 0.000 0.496 145 E N 1.088 121.285 120.200 -0.004 0.000 2.359 145 E HA 0.299 4.649 4.350 0.000 0.000 0.266 145 E C -0.967 175.613 176.600 -0.034 0.000 0.920 145 E CA -0.729 55.658 56.400 -0.021 0.000 0.788 145 E CB 0.997 30.687 29.700 -0.018 0.000 1.279 145 E HN -0.018 nan 8.360 nan 0.000 0.438 146 E N 0.578 120.745 120.200 -0.054 0.000 2.240 146 E HA -0.210 4.140 4.350 0.000 0.000 0.194 146 E C -0.561 175.980 176.600 -0.100 0.000 1.385 146 E CA 0.652 57.007 56.400 -0.074 0.000 0.686 146 E CB -1.142 28.527 29.700 -0.051 0.000 1.125 146 E HN 0.503 nan 8.360 nan 0.000 0.359 147 R N -0.232 120.192 120.500 -0.128 0.000 2.607 147 R HA 0.584 4.924 4.340 0.000 0.000 0.261 147 R C 1.027 177.154 176.300 -0.289 0.000 1.051 147 R CA -0.976 55.031 56.100 -0.156 0.000 1.110 147 R CB 0.842 31.081 30.300 -0.102 0.000 1.158 147 R HN 0.093 nan 8.270 nan 0.000 0.543 148 I N 2.793 123.154 120.570 -0.348 0.000 2.474 148 I HA 0.149 4.319 4.170 0.000 0.000 0.287 148 I C -1.861 173.961 176.117 -0.491 0.000 1.048 148 I CA -1.932 59.006 61.300 -0.603 0.000 1.383 148 I CB 0.956 38.583 38.000 -0.622 0.000 1.412 148 I HN 0.249 nan 8.210 nan 0.000 0.531 149 P HA 0.082 nan 4.420 nan 0.000 0.272 149 P C -0.903 176.228 177.300 -0.280 0.000 1.223 149 P CA -0.350 62.396 63.100 -0.590 0.000 0.784 149 P CB 0.305 31.235 31.700 -1.283 0.000 0.923 150 N N 2.595 121.205 118.700 -0.151 0.000 2.416 150 N HA -0.018 4.722 4.740 0.000 0.000 0.246 150 N C 0.465 176.043 175.510 0.113 0.000 1.260 150 N CA 0.427 53.446 53.050 -0.052 0.000 0.897 150 N CB -0.413 38.056 38.487 -0.031 0.000 1.110 150 N HN 0.427 nan 8.380 nan 0.000 0.439 151 N N -1.192 117.566 118.700 0.097 0.000 2.780 151 N HA -0.156 4.584 4.740 0.000 0.000 0.248 151 N C -0.824 174.859 175.510 0.288 0.000 1.102 151 N CA 0.690 53.836 53.050 0.160 0.000 0.697 151 N CB -1.696 36.885 38.487 0.157 0.000 1.028 151 N HN 0.482 nan 8.380 nan 0.000 0.554 152 T N 0.728 115.447 114.554 0.274 0.000 2.913 152 T HA 0.172 4.522 4.350 0.000 0.000 0.297 152 T C 1.729 176.568 174.700 0.232 0.000 1.029 152 T CA -0.005 62.273 62.100 0.296 0.000 1.104 152 T CB 1.291 70.236 68.868 0.128 0.000 0.964 152 T HN 0.177 nan 8.240 nan 0.000 0.532 153 Q N 1.393 121.315 119.800 0.203 0.000 2.394 153 Q HA 0.179 4.519 4.340 0.000 0.000 0.218 153 Q C 0.146 176.285 176.000 0.232 0.000 0.907 153 Q CA 0.159 56.086 55.803 0.208 0.000 0.919 153 Q CB 1.219 30.057 28.738 0.166 0.000 1.051 153 Q HN 0.682 nan 8.270 nan 0.000 0.538 154 W N 0.553 121.799 121.300 -0.089 0.000 3.479 154 W HA 0.477 5.137 4.660 0.000 0.000 0.304 154 W C -2.236 174.187 176.519 -0.160 0.000 1.243 154 W CA -0.602 56.653 57.345 -0.149 0.000 1.202 154 W CB 1.561 30.877 29.460 -0.241 0.000 1.346 154 W HN -0.298 nan 8.180 nan 0.000 0.539 155 V N 3.216 122.477 119.914 -1.089 0.000 2.876 155 V HA 0.726 4.846 4.120 0.000 0.000 0.312 155 V C -0.399 175.085 176.094 -1.017 0.000 1.085 155 V CA -0.667 61.106 62.300 -0.878 0.000 0.945 155 V CB 1.795 33.013 31.823 -1.009 0.000 1.017 155 V HN 0.497 nan 8.190 nan 0.000 0.428 156 T N 2.139 116.414 114.554 -0.465 0.000 2.982 156 T HA 0.522 4.872 4.350 0.000 0.000 0.321 156 T C -1.490 173.228 174.700 0.030 0.000 1.229 156 T CA -0.329 61.687 62.100 -0.140 0.000 1.044 156 T CB 0.874 69.892 68.868 0.251 0.000 1.184 156 T HN 0.521 nan 8.240 nan 0.000 0.477 157 W N 2.876 124.237 121.300 0.101 0.000 2.129 157 W HA 0.476 5.136 4.660 0.000 0.000 0.349 157 W C 1.231 177.670 176.519 -0.133 0.000 1.279 157 W CA -0.547 56.813 57.345 0.026 0.000 1.306 157 W CB 0.634 30.097 29.460 0.005 0.000 1.140 157 W HN 0.799 nan 8.180 nan 0.000 0.613 158 S N 0.889 116.437 115.700 -0.253 0.000 2.593 158 S HA 0.180 4.650 4.470 0.000 0.000 0.269 158 S C -1.878 172.481 174.600 -0.401 0.000 1.334 158 S CA -1.003 56.544 58.200 -1.088 0.000 1.015 158 S CB 1.023 63.462 63.200 -1.269 0.000 0.912 158 S HN 0.261 nan 8.310 nan 0.000 0.541 159 P HA 0.052 nan 4.420 nan 0.000 0.223 159 P C 0.093 177.335 177.300 -0.096 0.000 1.151 159 P CA 0.679 63.723 63.100 -0.094 0.000 0.787 159 P CB -0.204 31.476 31.700 -0.033 0.000 0.788 160 V N -6.355 113.456 119.914 -0.171 0.000 3.007 160 V HA 0.890 5.010 4.120 0.000 0.000 0.311 160 V C 0.316 176.291 176.094 -0.198 0.000 1.120 160 V CA -0.399 61.817 62.300 -0.140 0.000 0.980 160 V CB 1.090 32.852 31.823 -0.103 0.000 1.033 160 V HN 0.393 nan 8.190 nan 0.000 0.429 161 G N 2.427 111.122 108.800 -0.174 0.000 2.512 161 G HA2 -0.141 3.819 3.960 0.000 0.000 0.240 161 G HA3 -0.141 3.819 3.960 0.000 0.000 0.240 161 G C 0.102 174.871 174.900 -0.219 0.000 1.246 161 G CA 0.510 45.451 45.100 -0.265 0.000 0.919 161 G HN 2.419 nan 8.290 nan 0.000 0.577 162 H N -0.548 118.509 119.070 -0.022 0.000 2.750 162 H HA 0.449 5.005 4.556 0.000 0.000 0.239 162 H C 0.456 175.922 175.328 0.231 0.000 1.210 162 H CA -0.190 55.896 56.048 0.063 0.000 0.936 162 H CB 0.042 29.817 29.762 0.021 0.000 2.074 162 H HN 0.466 nan 8.280 nan 0.000 0.622 163 K N 1.666 122.115 120.400 0.081 0.000 2.319 163 K HA 0.400 4.720 4.320 0.000 0.000 0.265 163 K C -0.431 176.279 176.600 0.184 0.000 1.000 163 K CA -0.129 56.197 56.287 0.065 0.000 0.943 163 K CB 1.310 33.697 32.500 -0.190 0.000 0.950 163 K HN 0.187 nan 8.250 nan 0.000 0.485 164 L N 1.445 122.781 121.223 0.188 0.000 2.401 164 L HA 0.597 4.937 4.340 0.000 0.000 0.266 164 L C -0.998 176.043 176.870 0.285 0.000 0.991 164 L CA -0.889 54.020 54.840 0.115 0.000 0.818 164 L CB 2.131 44.111 42.059 -0.131 0.000 1.321 164 L HN 0.708 nan 8.230 nan 0.000 0.413 165 A N 2.725 125.715 122.820 0.282 0.000 2.371 165 A HA 0.823 5.143 4.320 0.000 0.000 0.311 165 A C -1.617 175.999 177.584 0.054 0.000 1.068 165 A CA -0.372 51.739 52.037 0.123 0.000 0.744 165 A CB 1.387 20.373 19.000 -0.023 0.000 1.239 165 A HN 0.652 nan 8.150 nan 0.000 0.435 166 Y N -0.596 119.657 120.300 -0.078 0.000 2.588 166 Y HA 0.779 5.330 4.550 0.000 0.000 0.343 166 Y C -1.294 174.612 175.900 0.011 0.000 1.065 166 Y CA -1.545 56.486 58.100 -0.115 0.000 1.038 166 Y CB 1.156 39.475 38.460 -0.235 0.000 1.297 166 Y HN 0.414 nan 8.280 nan 0.000 0.467 167 V N 2.300 122.309 119.914 0.157 0.000 2.495 167 V HA 0.389 4.509 4.120 0.000 0.000 0.298 167 V C -1.531 174.749 176.094 0.310 0.000 1.031 167 V CA -0.580 61.793 62.300 0.122 0.000 0.871 167 V CB 1.420 33.246 31.823 0.005 0.000 0.988 167 V HN 0.870 nan 8.190 nan 0.000 0.432 168 W N 5.186 126.549 121.300 0.105 0.000 3.132 168 W HA 0.450 5.110 4.660 0.000 0.000 0.337 168 W C 0.212 176.769 176.519 0.062 0.000 1.082 168 W CA -0.755 56.633 57.345 0.072 0.000 1.242 168 W CB 1.194 30.663 29.460 0.015 0.000 1.354 168 W HN 0.779 nan 8.180 nan 0.000 0.461 169 N N 5.555 123.872 118.700 -0.638 0.000 2.727 169 N HA -0.348 4.392 4.740 0.000 0.000 0.249 169 N C 0.090 175.422 175.510 -0.296 0.000 1.048 169 N CA 1.082 53.771 53.050 -0.601 0.000 0.714 169 N CB -1.101 36.827 38.487 -0.931 0.000 0.959 169 N HN 0.787 nan 8.380 nan 0.000 0.544 170 N N -2.156 116.431 118.700 -0.188 0.000 2.850 170 N HA -0.162 4.578 4.740 0.000 0.000 0.249 170 N C -1.327 174.091 175.510 -0.153 0.000 1.060 170 N CA 1.052 54.007 53.050 -0.159 0.000 0.825 170 N CB -0.382 37.972 38.487 -0.222 0.000 1.132 170 N HN 0.469 nan 8.380 nan 0.000 0.564 171 D N 0.427 120.748 120.400 -0.132 0.000 2.490 171 D HA 0.521 5.161 4.640 0.000 0.000 0.232 171 D C 0.072 176.199 176.300 -0.288 0.000 1.053 171 D CA -0.374 53.471 54.000 -0.258 0.000 0.914 171 D CB 1.866 42.463 40.800 -0.339 0.000 1.431 171 D HN -0.003 nan 8.370 nan 0.000 0.483 172 I N 1.339 121.578 120.570 -0.551 0.000 2.428 172 I HA 0.311 4.481 4.170 0.000 0.000 0.296 172 I C -0.811 174.846 176.117 -0.767 0.000 0.985 172 I CA -0.570 60.403 61.300 -0.546 0.000 1.260 172 I CB 0.774 38.389 38.000 -0.641 0.000 1.389 172 I HN 0.175 nan 8.210 nan 0.000 0.484 173 Y N 3.710 123.624 120.300 -0.644 0.000 2.545 173 Y HA 0.631 5.181 4.550 0.000 0.000 0.348 173 Y C -0.410 175.191 175.900 -0.497 0.000 1.002 173 Y CA -0.967 56.738 58.100 -0.658 0.000 1.039 173 Y CB 2.112 39.920 38.460 -1.085 0.000 1.271 173 Y HN 0.102 nan 8.280 nan 0.000 0.467 174 V N 2.645 122.533 119.914 -0.044 0.000 2.588 174 V HA 0.429 4.549 4.120 0.000 0.000 0.304 174 V C -0.763 175.473 176.094 0.237 0.000 1.042 174 V CA -1.414 60.937 62.300 0.085 0.000 0.877 174 V CB 1.879 33.738 31.823 0.059 0.000 0.996 174 V HN 0.611 nan 8.190 nan 0.000 0.425 175 K N 4.306 124.845 120.400 0.232 0.000 2.265 175 K HA 0.515 4.835 4.320 0.000 0.000 0.267 175 K C 0.400 177.115 176.600 0.191 0.000 0.994 175 K CA -0.689 55.731 56.287 0.222 0.000 0.860 175 K CB 1.925 34.511 32.500 0.142 0.000 1.099 175 K HN 0.469 nan 8.250 nan 0.000 0.448 176 I N 1.190 121.881 120.570 0.201 0.000 2.333 176 I HA -0.074 4.096 4.170 0.000 0.000 0.246 176 I C 0.416 176.634 176.117 0.167 0.000 1.106 176 I CA 1.401 62.786 61.300 0.141 0.000 1.411 176 I CB 0.013 38.081 38.000 0.114 0.000 1.082 176 I HN 0.543 nan 8.210 nan 0.000 0.420 177 E N 0.104 120.394 120.200 0.150 0.000 2.222 177 E HA 0.264 4.614 4.350 0.000 0.000 0.267 177 E C -1.828 174.763 176.600 -0.015 0.000 0.884 177 E CA -2.036 54.419 56.400 0.091 0.000 0.764 177 E CB 1.769 31.521 29.700 0.086 0.000 1.169 177 E HN -0.154 nan 8.360 nan 0.000 0.413 178 P HA -0.240 nan 4.420 nan 0.000 0.218 178 P C 0.922 178.173 177.300 -0.082 0.000 1.154 178 P CA 1.664 64.643 63.100 -0.202 0.000 0.872 178 P CB 0.287 31.683 31.700 -0.506 0.000 0.790 179 N N -1.515 117.157 118.700 -0.046 0.000 2.424 179 N HA -0.017 4.723 4.740 0.000 0.000 0.178 179 N C 0.438 175.949 175.510 0.002 0.000 1.060 179 N CA 0.427 53.475 53.050 -0.004 0.000 0.901 179 N CB -0.634 37.867 38.487 0.024 0.000 0.979 179 N HN 0.088 nan 8.380 nan 0.000 0.451 180 L N 2.021 123.254 121.223 0.016 0.000 2.456 180 L HA 0.403 4.743 4.340 0.000 0.000 0.257 180 L C -1.921 174.954 176.870 0.009 0.000 1.162 180 L CA -1.992 52.863 54.840 0.026 0.000 0.808 180 L CB 0.097 42.197 42.059 0.070 0.000 1.136 180 L HN 0.033 nan 8.230 nan 0.000 0.466 181 P HA 0.130 nan 4.420 nan 0.000 0.272 181 P C -1.080 176.189 177.300 -0.052 0.000 1.223 181 P CA -0.481 62.580 63.100 -0.065 0.000 0.784 181 P CB 0.692 32.320 31.700 -0.120 0.000 0.923 182 S N 1.414 117.116 115.700 0.002 0.000 2.585 182 S HA 0.399 4.869 4.470 0.000 0.000 0.277 182 S C -0.565 174.075 174.600 0.065 0.000 1.241 182 S CA -0.557 57.720 58.200 0.128 0.000 1.041 182 S CB 0.037 63.379 63.200 0.237 0.000 0.987 182 S HN 0.310 nan 8.310 nan 0.000 0.512 183 Y N 0.855 121.190 120.300 0.058 0.000 2.313 183 Y HA 0.392 4.943 4.550 0.000 0.000 0.332 183 Y C 1.196 177.045 175.900 -0.085 0.000 1.071 183 Y CA -0.859 57.253 58.100 0.020 0.000 1.169 183 Y CB 0.859 39.328 38.460 0.015 0.000 1.192 183 Y HN 0.505 nan 8.280 nan 0.000 0.487 184 R N 3.768 124.240 120.500 -0.046 0.000 2.298 184 R HA 0.177 4.517 4.340 0.000 0.000 0.310 184 R C 0.158 176.233 176.300 -0.375 0.000 1.068 184 R CA 0.038 55.829 56.100 -0.515 0.000 0.957 184 R CB 0.582 30.389 30.300 -0.822 0.000 1.003 184 R HN 0.775 nan 8.270 nan 0.000 0.454 185 I N 1.398 121.643 120.570 -0.542 0.000 2.729 185 I HA -0.026 4.144 4.170 0.000 0.000 0.256 185 I C 1.297 177.221 176.117 -0.322 0.000 1.115 185 I CA 0.988 62.087 61.300 -0.334 0.000 1.446 185 I CB -0.803 36.959 38.000 -0.395 0.000 1.176 185 I HN 0.504 nan 8.210 nan 0.000 0.446 186 T N -3.224 111.001 114.554 -0.550 0.000 2.888 186 T HA 0.385 4.735 4.350 0.000 0.000 0.284 186 T C -0.563 173.857 174.700 -0.467 0.000 1.017 186 T CA -0.470 61.405 62.100 -0.375 0.000 1.022 186 T CB 1.863 70.482 68.868 -0.415 0.000 1.013 186 T HN 0.217 nan 8.240 nan 0.000 0.465 187 W N 0.646 121.829 121.300 -0.195 0.000 2.702 187 W HA 0.240 4.900 4.660 0.000 0.000 0.369 187 W C 1.784 178.243 176.519 -0.100 0.000 0.987 187 W CA -0.252 57.012 57.345 -0.134 0.000 1.702 187 W CB 0.290 29.692 29.460 -0.097 0.000 1.138 187 W HN 0.925 nan 8.180 nan 0.000 0.552 188 T N -3.038 111.547 114.554 0.052 0.000 3.069 188 T HA 0.283 4.633 4.350 0.000 0.000 0.252 188 T C 1.224 175.912 174.700 -0.019 0.000 1.053 188 T CA 0.103 62.221 62.100 0.030 0.000 0.964 188 T CB -0.052 68.832 68.868 0.027 0.000 1.005 188 T HN -0.005 nan 8.240 nan 0.000 0.532 189 G N 1.435 110.193 108.800 -0.071 0.000 2.305 189 G HA2 0.370 4.330 3.960 0.000 0.000 0.243 189 G HA3 0.370 4.330 3.960 0.000 0.000 0.243 189 G C -0.617 174.211 174.900 -0.119 0.000 1.288 189 G CA -0.340 44.691 45.100 -0.114 0.000 0.901 189 G HN 0.550 nan 8.290 nan 0.000 0.516 190 K N 1.956 122.265 120.400 -0.151 0.000 2.565 190 K HA 0.195 4.515 4.320 0.000 0.000 0.251 190 K C -0.359 176.116 176.600 -0.209 0.000 0.956 190 K CA -0.702 55.498 56.287 -0.144 0.000 0.809 190 K CB 1.831 34.284 32.500 -0.078 0.000 1.267 190 K HN 0.603 nan 8.250 nan 0.000 0.438 191 E N 3.180 123.269 120.200 -0.186 0.000 2.465 191 E HA -0.112 4.238 4.350 0.000 0.000 0.260 191 E C -0.566 175.944 176.600 -0.151 0.000 0.980 191 E CA 0.803 57.089 56.400 -0.191 0.000 0.927 191 E CB 0.292 29.914 29.700 -0.130 0.000 0.934 191 E HN 0.630 nan 8.360 nan 0.000 0.459 192 D N 2.716 123.013 120.400 -0.173 0.000 3.077 192 D HA -0.227 4.413 4.640 0.000 0.000 0.217 192 D C 0.425 176.766 176.300 0.069 0.000 1.162 192 D CA 1.178 55.192 54.000 0.024 0.000 0.943 192 D CB -0.400 40.449 40.800 0.081 0.000 1.122 192 D HN 0.418 nan 8.370 nan 0.000 0.413 193 I N -1.228 119.301 120.570 -0.069 0.000 3.685 193 I HA 0.100 4.270 4.170 0.000 0.000 0.258 193 I C 0.676 176.849 176.117 0.094 0.000 1.135 193 I CA 0.406 61.741 61.300 0.058 0.000 1.436 193 I CB 0.102 38.114 38.000 0.021 0.000 1.670 193 I HN -0.148 nan 8.210 nan 0.000 0.424 194 I N 1.862 122.394 120.570 -0.063 0.000 2.389 194 I HA 0.280 4.450 4.170 0.000 0.000 0.288 194 I C -1.218 174.845 176.117 -0.090 0.000 0.999 194 I CA -0.640 60.683 61.300 0.038 0.000 1.129 194 I CB 0.851 38.866 38.000 0.024 0.000 1.288 194 I HN 0.034 nan 8.210 nan 0.000 0.444 195 Y N 4.759 125.142 120.300 0.139 0.000 2.334 195 Y HA 0.397 4.947 4.550 0.000 0.000 0.336 195 Y C 0.385 176.342 175.900 0.096 0.000 0.960 195 Y CA -0.751 57.430 58.100 0.136 0.000 1.164 195 Y CB 0.996 39.609 38.460 0.255 0.000 1.155 195 Y HN 0.400 nan 8.280 nan 0.000 0.478 196 N N 2.438 121.188 118.700 0.083 0.000 2.501 196 N HA 0.352 5.092 4.740 0.000 0.000 0.245 196 N C 0.840 176.272 175.510 -0.130 0.000 0.974 196 N CA 0.435 53.464 53.050 -0.035 0.000 0.941 196 N CB 1.718 40.093 38.487 -0.187 0.000 1.122 196 N HN 0.977 nan 8.380 nan 0.000 0.507 197 G N 1.575 110.318 108.800 -0.095 0.000 2.176 197 G HA2 -0.254 3.706 3.960 0.000 0.000 0.253 197 G HA3 -0.254 3.706 3.960 0.000 0.000 0.253 197 G C 0.084 174.811 174.900 -0.289 0.000 0.979 197 G CA 0.605 45.569 45.100 -0.227 0.000 0.641 197 G HN 0.635 nan 8.290 nan 0.000 0.530 198 I N -1.514 118.953 120.570 -0.171 0.000 2.828 198 I HA 0.818 4.988 4.170 0.000 0.000 0.302 198 I C 0.320 176.412 176.117 -0.042 0.000 1.101 198 I CA -0.674 60.424 61.300 -0.337 0.000 1.031 198 I CB 2.006 39.618 38.000 -0.646 0.000 1.231 198 I HN 0.185 nan 8.210 nan 0.000 0.427 199 T N -0.323 114.137 114.554 -0.158 0.000 2.899 199 T HA 0.358 4.708 4.350 0.000 0.000 0.284 199 T C -0.034 174.460 174.700 -0.342 0.000 1.004 199 T CA -0.592 61.298 62.100 -0.351 0.000 1.043 199 T CB 1.164 69.918 68.868 -0.191 0.000 1.013 199 T HN 0.801 nan 8.240 nan 0.000 0.518 200 D N 0.545 120.482 120.400 -0.772 0.000 2.376 200 D HA 0.003 4.643 4.640 0.000 0.000 0.268 200 D C 1.026 177.255 176.300 -0.117 0.000 1.252 200 D CA -0.872 52.705 54.000 -0.706 0.000 1.041 200 D CB -0.110 40.187 40.800 -0.838 0.000 1.109 200 D HN 0.691 nan 8.370 nan 0.000 0.552 201 W N -0.371 120.866 121.300 -0.106 0.000 2.378 201 W HA -0.140 4.520 4.660 0.000 0.000 0.313 201 W C 2.204 178.635 176.519 -0.147 0.000 1.197 201 W CA 2.192 59.489 57.345 -0.080 0.000 1.304 201 W CB -0.537 28.830 29.460 -0.155 0.000 1.148 201 W HN 0.163 nan 8.180 nan 0.000 0.494 202 V N -0.091 119.893 119.914 0.117 0.000 2.548 202 V HA -0.244 3.876 4.120 0.000 0.000 0.249 202 V C 1.814 177.736 176.094 -0.287 0.000 1.055 202 V CA 1.804 64.054 62.300 -0.082 0.000 1.065 202 V CB -0.712 31.090 31.823 -0.036 0.000 0.681 202 V HN 0.292 nan 8.190 nan 0.000 0.462 203 Y N 0.718 120.851 120.300 -0.278 0.000 2.263 203 Y HA -0.142 4.408 4.550 0.000 0.000 0.292 203 Y C 2.592 178.386 175.900 -0.177 0.000 1.130 203 Y CA 2.105 60.043 58.100 -0.271 0.000 1.179 203 Y CB -0.060 38.145 38.460 -0.424 0.000 0.998 203 Y HN 0.368 nan 8.280 nan 0.000 0.532 204 E N 0.345 120.504 120.200 -0.068 0.000 2.031 204 E HA -0.291 4.059 4.350 0.000 0.000 0.193 204 E C 2.014 178.557 176.600 -0.096 0.000 0.994 204 E CA 1.594 57.980 56.400 -0.024 0.000 0.800 204 E CB 0.025 29.710 29.700 -0.025 0.000 0.752 204 E HN 0.435 nan 8.360 nan 0.000 0.447 205 E N 0.222 120.179 120.200 -0.406 0.000 2.033 205 E HA -0.144 4.206 4.350 0.000 0.000 0.189 205 E C 1.761 178.213 176.600 -0.247 0.000 0.979 205 E CA 1.450 57.584 56.400 -0.445 0.000 0.802 205 E CB 0.109 29.189 29.700 -1.033 0.000 0.763 205 E HN 0.165 nan 8.360 nan 0.000 0.449 206 E N -0.361 119.670 120.200 -0.282 0.000 2.415 206 E HA 0.034 4.384 4.350 0.000 0.000 0.197 206 E C 1.768 178.232 176.600 -0.227 0.000 1.007 206 E CA 0.832 57.118 56.400 -0.190 0.000 0.890 206 E CB 0.994 30.584 29.700 -0.183 0.000 0.891 206 E HN 0.329 nan 8.360 nan 0.000 0.496 207 V N -1.711 118.029 119.914 -0.291 0.000 3.097 207 V HA 0.111 4.231 4.120 0.000 0.000 0.223 207 V C 1.400 177.324 176.094 -0.284 0.000 1.199 207 V CA 0.298 62.366 62.300 -0.386 0.000 1.260 207 V CB -0.460 30.972 31.823 -0.651 0.000 1.155 207 V HN -0.039 nan 8.190 nan 0.000 0.509 208 F N 1.716 121.683 119.950 0.027 0.000 2.615 208 F HA 0.400 4.927 4.527 0.000 0.000 0.297 208 F C 1.837 177.622 175.800 -0.026 0.000 1.124 208 F CA 0.821 58.852 58.000 0.051 0.000 1.451 208 F CB -0.470 38.598 39.000 0.113 0.000 1.103 208 F HN 0.301 nan 8.300 nan 0.000 0.569 209 S N -0.194 115.556 115.700 0.082 0.000 3.473 209 S HA -0.080 4.390 4.470 0.000 0.000 0.339 209 S C 0.145 174.459 174.600 -0.477 0.000 1.148 209 S CA 0.432 58.601 58.200 -0.051 0.000 0.969 209 S CB -1.560 61.633 63.200 -0.010 0.000 0.936 209 S HN 0.627 nan 8.310 nan 0.000 0.530 210 A N -0.796 121.893 122.820 -0.218 0.000 2.609 210 A HA 0.754 5.074 4.320 0.000 0.000 0.291 210 A C -0.204 177.348 177.584 -0.053 0.000 1.096 210 A CA -0.455 51.417 52.037 -0.275 0.000 0.684 210 A CB 0.405 19.266 19.000 -0.231 0.000 1.282 210 A HN 0.247 nan 8.150 nan 0.000 0.412 211 Y N 1.093 121.227 120.300 -0.277 0.000 2.397 211 Y HA 0.176 4.726 4.550 0.000 0.000 0.292 211 Y C 1.590 177.189 175.900 -0.503 0.000 1.115 211 Y CA 1.023 58.961 58.100 -0.271 0.000 1.208 211 Y CB -0.011 38.322 38.460 -0.211 0.000 1.046 211 Y HN 0.610 nan 8.280 nan 0.000 0.552 212 S N 0.860 116.034 115.700 -0.876 0.000 2.510 212 S HA 0.446 4.916 4.470 0.000 0.000 0.279 212 S C 0.234 174.287 174.600 -0.912 0.000 1.284 212 S CA 0.082 57.506 58.200 -1.293 0.000 1.059 212 S CB 0.273 62.367 63.200 -1.844 0.000 0.901 212 S HN 0.394 nan 8.310 nan 0.000 0.491 213 A N 5.201 127.511 122.820 -0.850 0.000 3.113 213 A HA 0.553 4.873 4.320 0.000 0.000 0.307 213 A C -0.777 176.075 177.584 -1.219 0.000 1.025 213 A CA -0.661 50.806 52.037 -0.950 0.000 1.012 213 A CB -0.526 18.321 19.000 -0.255 0.000 1.085 213 A HN 0.839 nan 8.150 nan 0.000 0.519 214 L N -4.604 115.754 121.223 -1.443 0.000 2.424 214 L HA 0.872 5.212 4.340 0.000 0.000 0.258 214 L C -1.308 174.934 176.870 -1.047 0.000 0.995 214 L CA -1.396 52.805 54.840 -1.064 0.000 0.821 214 L CB 0.990 42.740 42.059 -0.514 0.000 1.383 214 L HN 0.242 nan 8.230 nan 0.000 0.410 215 W N 1.149 122.428 121.300 -0.034 0.000 2.884 215 W HA 0.343 5.004 4.660 0.000 0.000 0.336 215 W C -1.473 175.192 176.519 0.244 0.000 1.038 215 W CA -0.778 56.667 57.345 0.166 0.000 1.247 215 W CB 1.522 31.155 29.460 0.288 0.000 1.351 215 W HN 0.611 nan 8.180 nan 0.000 0.446 216 W N 2.317 123.810 121.300 0.321 0.000 2.150 216 W HA 0.248 4.908 4.660 0.000 0.000 0.341 216 W C 1.322 177.648 176.519 -0.321 0.000 1.276 216 W CA 0.252 57.646 57.345 0.081 0.000 1.238 216 W CB 0.873 30.360 29.460 0.044 0.000 1.128 216 W HN 0.207 nan 8.180 nan 0.000 0.581 217 S N 2.189 117.621 115.700 -0.448 0.000 2.600 217 S HA 0.217 4.687 4.470 0.000 0.000 0.265 217 S C -1.781 172.566 174.600 -0.422 0.000 1.325 217 S CA -1.012 56.396 58.200 -1.320 0.000 1.002 217 S CB 1.220 63.671 63.200 -1.249 0.000 0.921 217 S HN 0.265 nan 8.310 nan 0.000 0.554 218 P HA -0.149 nan 4.420 nan 0.000 0.215 218 P C 0.973 178.235 177.300 -0.063 0.000 1.157 218 P CA 1.662 64.721 63.100 -0.069 0.000 0.874 218 P CB -0.247 31.457 31.700 0.008 0.000 0.790 219 N N -1.676 116.979 118.700 -0.076 0.000 2.398 219 N HA 0.092 4.832 4.740 0.000 0.000 0.188 219 N C 1.101 176.531 175.510 -0.134 0.000 1.122 219 N CA 0.844 53.845 53.050 -0.082 0.000 0.866 219 N CB -0.897 37.559 38.487 -0.051 0.000 0.970 219 N HN 0.208 nan 8.380 nan 0.000 0.462 220 G N -1.401 107.320 108.800 -0.132 0.000 2.141 220 G HA2 -0.302 3.658 3.960 0.000 0.000 0.242 220 G HA3 -0.302 3.658 3.960 0.000 0.000 0.242 220 G C 0.855 175.736 174.900 -0.031 0.000 0.982 220 G CA 0.588 45.595 45.100 -0.156 0.000 0.662 220 G HN 0.358 nan 8.290 nan 0.000 0.527 221 T N -0.063 114.442 114.554 -0.081 0.000 2.701 221 T HA 0.195 4.545 4.350 0.000 0.000 0.263 221 T C 0.861 175.444 174.700 -0.194 0.000 1.040 221 T CA 1.302 63.264 62.100 -0.229 0.000 1.147 221 T CB -0.085 68.516 68.868 -0.445 0.000 0.865 221 T HN 0.288 nan 8.240 nan 0.000 0.426 222 F N 0.333 120.327 119.950 0.072 0.000 2.425 222 F HA 0.553 5.080 4.527 0.000 0.000 0.331 222 F C -0.008 175.879 175.800 0.145 0.000 1.085 222 F CA -1.189 56.888 58.000 0.129 0.000 1.028 222 F CB 1.057 40.177 39.000 0.199 0.000 1.177 222 F HN -0.070 nan 8.300 nan 0.000 0.487 223 L N 3.042 124.427 121.223 0.269 0.000 2.345 223 L HA 0.646 4.986 4.340 0.000 0.000 0.274 223 L C -0.614 176.340 176.870 0.140 0.000 0.999 223 L CA -0.502 54.313 54.840 -0.042 0.000 0.849 223 L CB 0.808 42.623 42.059 -0.407 0.000 1.220 223 L HN 0.795 nan 8.230 nan 0.000 0.422 224 A N 4.977 127.944 122.820 0.246 0.000 2.293 224 A HA 0.697 5.017 4.320 0.000 0.000 0.302 224 A C -1.205 176.416 177.584 0.061 0.000 1.119 224 A CA -0.222 51.851 52.037 0.059 0.000 0.823 224 A CB 0.809 19.896 19.000 0.146 0.000 1.097 224 A HN 0.728 nan 8.150 nan 0.000 0.491 225 Y N -2.051 118.020 120.300 -0.383 0.000 2.624 225 Y HA 0.714 5.264 4.550 0.000 0.000 0.334 225 Y C -0.428 175.282 175.900 -0.317 0.000 1.155 225 Y CA -0.812 57.121 58.100 -0.278 0.000 1.046 225 Y CB 0.747 39.042 38.460 -0.273 0.000 1.316 225 Y HN 0.954 nan 8.280 nan 0.000 0.457 226 A N 2.221 125.058 122.820 0.028 0.000 2.320 226 A HA 0.714 5.034 4.320 0.000 0.000 0.334 226 A C -1.175 176.311 177.584 -0.163 0.000 1.147 226 A CA -0.791 51.164 52.037 -0.137 0.000 0.820 226 A CB 1.700 20.576 19.000 -0.206 0.000 1.218 226 A HN 0.869 nan 8.150 nan 0.000 0.482 227 Q N 1.041 120.665 119.800 -0.295 0.000 2.310 227 Q HA 0.624 4.964 4.340 0.000 0.000 0.270 227 Q C -2.138 173.649 176.000 -0.355 0.000 1.025 227 Q CA -0.348 55.376 55.803 -0.131 0.000 0.772 227 Q CB 0.952 29.832 28.738 0.237 0.000 1.253 227 Q HN 0.543 nan 8.270 nan 0.000 0.450 228 F N 2.525 122.566 119.950 0.152 0.000 2.436 228 F HA 0.416 4.943 4.527 0.000 0.000 0.340 228 F C 0.351 176.295 175.800 0.239 0.000 1.113 228 F CA -0.919 57.152 58.000 0.118 0.000 1.022 228 F CB 1.430 40.415 39.000 -0.025 0.000 1.128 228 F HN 0.510 nan 8.300 nan 0.000 0.466 229 N N 2.366 121.274 118.700 0.346 0.000 2.511 229 N HA 0.170 4.910 4.740 0.000 0.000 0.249 229 N C -0.640 175.037 175.510 0.279 0.000 0.971 229 N CA -0.237 52.981 53.050 0.281 0.000 0.938 229 N CB 0.883 39.483 38.487 0.188 0.000 1.131 229 N HN 0.539 nan 8.380 nan 0.000 0.505 230 D N 1.787 122.377 120.400 0.317 0.000 2.358 230 D HA 0.104 4.744 4.640 0.000 0.000 0.224 230 D C 1.213 177.628 176.300 0.192 0.000 1.123 230 D CA 0.187 54.351 54.000 0.273 0.000 0.833 230 D CB 0.434 41.456 40.800 0.369 0.000 0.946 230 D HN 0.483 nan 8.370 nan 0.000 0.505 231 T N 0.482 115.131 114.554 0.158 0.000 2.620 231 T HA -0.215 4.135 4.350 0.000 0.000 0.267 231 T C 1.226 175.983 174.700 0.095 0.000 1.044 231 T CA 1.410 63.577 62.100 0.112 0.000 1.161 231 T CB -0.025 68.899 68.868 0.092 0.000 0.862 231 T HN 0.256 nan 8.240 nan 0.000 0.438 232 E N 0.292 120.548 120.200 0.093 0.000 2.437 232 E HA 0.207 4.557 4.350 0.000 0.000 0.195 232 E C -0.684 175.965 176.600 0.081 0.000 1.029 232 E CA -0.257 56.188 56.400 0.076 0.000 0.948 232 E CB 0.634 30.372 29.700 0.063 0.000 1.082 232 E HN 0.171 nan 8.360 nan 0.000 0.456 233 V N 3.393 123.368 119.914 0.102 0.000 2.455 233 V HA 0.119 4.239 4.120 0.000 0.000 0.273 233 V C -1.933 174.215 176.094 0.091 0.000 1.045 233 V CA -1.682 60.681 62.300 0.104 0.000 0.976 233 V CB 0.355 32.257 31.823 0.131 0.000 0.993 233 V HN 0.096 nan 8.190 nan 0.000 0.475 234 P HA 0.146 nan 4.420 nan 0.000 0.269 234 P C -0.619 176.717 177.300 0.060 0.000 1.217 234 P CA -0.060 63.077 63.100 0.062 0.000 0.783 234 P CB 0.480 32.217 31.700 0.063 0.000 0.898 235 L N 1.845 123.083 121.223 0.025 0.000 2.309 235 L HA 0.449 4.789 4.340 0.000 0.000 0.282 235 L C 0.350 177.180 176.870 -0.066 0.000 1.036 235 L CA -1.025 53.811 54.840 -0.007 0.000 0.806 235 L CB 1.151 43.198 42.059 -0.020 0.000 1.220 235 L HN 0.286 nan 8.230 nan 0.000 0.429 236 I N 3.062 123.549 120.570 -0.139 0.000 2.396 236 I HA 0.262 4.432 4.170 0.000 0.000 0.292 236 I C -0.300 175.671 176.117 -0.243 0.000 0.999 236 I CA 0.134 61.266 61.300 -0.280 0.000 1.310 236 I CB 0.994 38.613 38.000 -0.634 0.000 1.404 236 I HN 0.649 nan 8.210 nan 0.000 0.496 237 E N 7.189 127.267 120.200 -0.205 0.000 2.272 237 E HA 0.553 4.903 4.350 0.000 0.000 0.269 237 E C -1.835 174.703 176.600 -0.104 0.000 0.877 237 E CA -0.743 55.531 56.400 -0.210 0.000 0.755 237 E CB 1.894 31.494 29.700 -0.167 0.000 1.192 237 E HN 0.555 nan 8.360 nan 0.000 0.422 238 Y N -1.435 118.774 120.300 -0.152 0.000 2.581 238 Y HA 0.587 5.137 4.550 0.000 0.000 0.337 238 Y C -0.904 174.921 175.900 -0.126 0.000 1.108 238 Y CA -1.289 56.727 58.100 -0.141 0.000 1.033 238 Y CB 1.089 39.467 38.460 -0.138 0.000 1.318 238 Y HN 0.364 nan 8.280 nan 0.000 0.459 239 S N 2.141 117.837 115.700 -0.006 0.000 2.584 239 S HA 0.523 4.993 4.470 0.000 0.000 0.273 239 S C -1.355 173.094 174.600 -0.253 0.000 1.311 239 S CA -0.387 57.678 58.200 -0.224 0.000 1.034 239 S CB 0.648 63.607 63.200 -0.402 0.000 0.939 239 S HN 0.559 nan 8.310 nan 0.000 0.513 240 F N 1.639 121.304 119.950 -0.476 0.000 2.518 240 F HA 0.449 4.976 4.527 0.000 0.000 0.323 240 F C -0.328 175.210 175.800 -0.437 0.000 1.129 240 F CA -0.908 56.871 58.000 -0.368 0.000 0.920 240 F CB 0.978 39.921 39.000 -0.095 0.000 1.160 240 F HN 0.651 nan 8.300 nan 0.000 0.440 241 Y N 2.566 122.606 120.300 -0.433 0.000 2.436 241 Y HA 0.177 4.727 4.550 0.000 0.000 0.288 241 Y C 1.645 177.457 175.900 -0.148 0.000 1.112 241 Y CA 0.985 58.951 58.100 -0.223 0.000 1.220 241 Y CB -0.307 38.019 38.460 -0.224 0.000 1.073 241 Y HN 0.739 nan 8.280 nan 0.000 0.552 242 S N -0.360 115.244 115.700 -0.161 0.000 3.569 242 S HA -0.203 4.267 4.470 0.000 0.000 0.635 242 S C -0.798 173.839 174.600 0.062 0.000 2.396 242 S CA 0.119 58.368 58.200 0.082 0.000 2.612 242 S CB -1.187 62.144 63.200 0.219 0.000 0.331 242 S HN 0.449 nan 8.310 nan 0.000 1.764 243 D N 1.987 122.441 120.400 0.090 0.000 2.382 243 D HA 0.167 4.807 4.640 0.000 0.000 0.240 243 D C 1.479 177.807 176.300 0.046 0.000 1.146 243 D CA 0.555 54.591 54.000 0.060 0.000 0.897 243 D CB 0.281 41.118 40.800 0.063 0.000 1.197 243 D HN 0.713 nan 8.370 nan 0.000 0.432 244 E N -0.155 120.060 120.200 0.026 0.000 2.331 244 E HA -0.190 4.160 4.350 0.000 0.000 0.199 244 E C 1.069 177.681 176.600 0.019 0.000 1.008 244 E CA 1.038 57.446 56.400 0.013 0.000 0.843 244 E CB -0.063 29.635 29.700 -0.004 0.000 0.761 244 E HN 0.316 nan 8.360 nan 0.000 0.507 245 S N 0.818 116.536 115.700 0.030 0.000 2.469 245 S HA -0.066 4.404 4.470 0.000 0.000 0.238 245 S C 1.161 175.788 174.600 0.044 0.000 0.998 245 S CA 0.259 58.479 58.200 0.033 0.000 0.957 245 S CB -0.229 62.994 63.200 0.038 0.000 0.764 245 S HN 0.338 nan 8.310 nan 0.000 0.514 246 L N 2.817 124.075 121.223 0.057 0.000 2.295 246 L HA 0.229 4.569 4.340 0.000 0.000 0.288 246 L C 1.377 178.290 176.870 0.072 0.000 1.079 246 L CA 0.012 54.899 54.840 0.078 0.000 0.830 246 L CB 1.057 43.176 42.059 0.100 0.000 1.200 246 L HN 0.368 nan 8.230 nan 0.000 0.438 247 Q N 4.446 124.294 119.800 0.079 0.000 2.050 247 Q HA -0.132 4.209 4.340 0.000 0.000 0.202 247 Q C -0.543 175.427 176.000 -0.049 0.000 0.980 247 Q CA 1.543 57.359 55.803 0.022 0.000 0.840 247 Q CB 0.120 28.899 28.738 0.069 0.000 0.898 247 Q HN 0.626 nan 8.270 nan 0.000 0.424 248 Y N 0.770 121.087 120.300 0.029 0.000 2.341 248 Y HA 0.367 4.917 4.550 0.000 0.000 0.337 248 Y C -1.999 173.921 175.900 0.035 0.000 1.014 248 Y CA -2.914 55.203 58.100 0.027 0.000 1.111 248 Y CB 1.208 39.676 38.460 0.012 0.000 1.194 248 Y HN 0.189 nan 8.280 nan 0.000 0.462 249 P HA 0.078 nan 4.420 nan 0.000 0.271 249 P C -0.703 176.625 177.300 0.047 0.000 1.218 249 P CA -0.548 62.602 63.100 0.083 0.000 0.780 249 P CB 0.757 32.484 31.700 0.045 0.000 0.901 250 K N 0.957 121.367 120.400 0.016 0.000 2.118 250 K HA 0.333 4.653 4.320 0.000 0.000 0.267 250 K C -0.610 175.955 176.600 -0.057 0.000 0.991 250 K CA -0.306 55.985 56.287 0.008 0.000 0.916 250 K CB 0.543 33.076 32.500 0.055 0.000 1.041 250 K HN 0.338 nan 8.250 nan 0.000 0.455 251 T N 3.084 117.588 114.554 -0.083 0.000 2.853 251 T HA 0.179 4.529 4.350 0.000 0.000 0.317 251 T C -0.379 174.198 174.700 -0.206 0.000 1.059 251 T CA -0.594 61.421 62.100 -0.142 0.000 0.954 251 T CB 0.659 69.458 68.868 -0.115 0.000 0.994 251 T HN 0.264 nan 8.240 nan 0.000 0.479 252 V N 5.983 125.694 119.914 -0.339 0.000 2.585 252 V HA 0.296 4.416 4.120 0.000 0.000 0.296 252 V C 0.740 176.546 176.094 -0.481 0.000 1.035 252 V CA -0.182 61.845 62.300 -0.455 0.000 1.084 252 V CB -0.042 31.309 31.823 -0.787 0.000 0.953 252 V HN 0.766 nan 8.190 nan 0.000 0.483 253 R N 3.638 123.976 120.500 -0.269 0.000 2.575 253 R HA 0.821 5.161 4.340 0.000 0.000 0.293 253 R C -2.163 174.090 176.300 -0.079 0.000 0.983 253 R CA -0.650 55.332 56.100 -0.196 0.000 0.887 253 R CB 1.933 32.154 30.300 -0.132 0.000 1.184 253 R HN 0.373 nan 8.270 nan 0.000 0.445 254 V N 3.512 123.385 119.914 -0.069 0.000 2.686 254 V HA 0.399 4.519 4.120 0.000 0.000 0.306 254 V C -2.451 173.670 176.094 0.044 0.000 1.065 254 V CA -2.254 60.067 62.300 0.036 0.000 0.894 254 V CB 2.610 34.426 31.823 -0.012 0.000 1.004 254 V HN 0.727 nan 8.190 nan 0.000 0.424 255 P HA 0.263 nan 4.420 nan 0.000 0.271 255 P C -1.478 175.913 177.300 0.153 0.000 1.233 255 P CA 0.187 63.377 63.100 0.151 0.000 0.764 255 P CB -0.070 31.762 31.700 0.220 0.000 0.825 256 Y N 5.757 126.027 120.300 -0.050 0.000 2.287 256 Y HA 0.332 4.882 4.550 0.000 0.000 0.321 256 Y C -2.831 173.037 175.900 -0.054 0.000 1.173 256 Y CA -2.461 55.559 58.100 -0.133 0.000 1.124 256 Y CB 1.804 40.070 38.460 -0.324 0.000 1.201 256 Y HN 0.284 nan 8.280 nan 0.000 0.421 257 P HA 0.290 nan 4.420 nan 0.000 0.288 257 P C -0.832 176.485 177.300 0.028 0.000 1.363 257 P CA -0.229 62.890 63.100 0.030 0.000 0.837 257 P CB 1.218 32.923 31.700 0.009 0.000 0.981 258 K N 1.936 122.450 120.400 0.189 0.000 2.132 258 K HA 0.480 4.800 4.320 0.000 0.000 0.240 258 K C 0.637 177.320 176.600 0.138 0.000 1.036 258 K CA -0.635 55.780 56.287 0.214 0.000 0.888 258 K CB 0.457 33.110 32.500 0.255 0.000 1.071 258 K HN 0.431 nan 8.250 nan 0.000 0.502 259 A N 0.521 123.443 122.820 0.171 0.000 2.524 259 A HA 0.371 4.691 4.320 0.000 0.000 0.250 259 A C 1.116 178.728 177.584 0.046 0.000 1.078 259 A CA 0.755 52.880 52.037 0.147 0.000 0.761 259 A CB -0.889 18.276 19.000 0.274 0.000 1.012 259 A HN 0.867 nan 8.150 nan 0.000 0.500 260 G N 0.915 109.735 108.800 0.032 0.000 2.225 260 G HA2 0.084 4.044 3.960 0.000 0.000 0.254 260 G HA3 0.084 4.044 3.960 0.000 0.000 0.254 260 G C 0.750 175.657 174.900 0.013 0.000 0.988 260 G CA 0.722 45.816 45.100 -0.009 0.000 0.625 260 G HN 2.041 nan 8.290 nan 0.000 0.527 261 A N -0.463 122.380 122.820 0.038 0.000 2.336 261 A HA 0.762 5.082 4.320 0.000 0.000 0.278 261 A C 0.678 178.290 177.584 0.047 0.000 1.371 261 A CA 0.469 52.534 52.037 0.046 0.000 0.842 261 A CB 0.439 19.480 19.000 0.070 0.000 1.363 261 A HN 1.113 nan 8.150 nan 0.000 0.517 262 V N 1.993 121.939 119.914 0.053 0.000 2.406 262 V HA 0.170 4.290 4.120 0.000 0.000 0.272 262 V C -0.058 176.078 176.094 0.069 0.000 1.043 262 V CA -0.583 61.749 62.300 0.054 0.000 0.915 262 V CB 0.519 32.374 31.823 0.054 0.000 0.988 262 V HN 0.749 nan 8.190 nan 0.000 0.466 263 N N 6.217 124.958 118.700 0.068 0.000 2.463 263 N HA 0.447 5.188 4.740 0.000 0.000 0.270 263 N C -2.189 173.397 175.510 0.128 0.000 1.205 263 N CA -1.400 51.709 53.050 0.099 0.000 0.974 263 N CB 0.803 39.343 38.487 0.088 0.000 1.197 263 N HN 0.375 nan 8.380 nan 0.000 0.504 264 P HA 0.057 nan 4.420 nan 0.000 0.273 264 P C -0.371 177.064 177.300 0.224 0.000 1.258 264 P CA 0.066 63.314 63.100 0.246 0.000 0.802 264 P CB 0.220 32.137 31.700 0.361 0.000 1.040 265 T N -4.069 110.620 114.554 0.226 0.000 2.883 265 T HA 0.624 4.974 4.350 0.000 0.000 0.296 265 T C -0.859 173.940 174.700 0.166 0.000 1.117 265 T CA -0.834 61.348 62.100 0.136 0.000 1.006 265 T CB 1.461 70.378 68.868 0.081 0.000 1.191 265 T HN 0.353 nan 8.240 nan 0.000 0.508 266 V N 0.324 120.289 119.914 0.084 0.000 3.007 266 V HA 0.848 4.968 4.120 0.000 0.000 0.311 266 V C -1.663 174.454 176.094 0.039 0.000 1.120 266 V CA -0.767 61.540 62.300 0.011 0.000 0.980 266 V CB 2.169 34.016 31.823 0.040 0.000 1.033 266 V HN 1.107 nan 8.190 nan 0.000 0.429 267 K N 3.736 124.107 120.400 -0.048 0.000 2.512 267 K HA 0.597 4.917 4.320 0.000 0.000 0.263 267 K C -2.081 174.402 176.600 -0.195 0.000 0.966 267 K CA -0.486 55.749 56.287 -0.087 0.000 0.851 267 K CB 2.789 35.215 32.500 -0.123 0.000 1.395 267 K HN 0.546 nan 8.250 nan 0.000 0.440 268 F N 2.249 121.850 119.950 -0.583 0.000 2.539 268 F HA 0.548 5.075 4.527 0.000 0.000 0.318 268 F C -1.614 173.651 175.800 -0.890 0.000 1.135 268 F CA -0.591 57.081 58.000 -0.547 0.000 0.915 268 F CB 0.842 39.686 39.000 -0.259 0.000 1.176 268 F HN 0.371 nan 8.300 nan 0.000 0.440 269 F N 4.274 123.601 119.950 -1.038 0.000 2.593 269 F HA 0.797 5.324 4.527 0.000 0.000 0.320 269 F C -0.858 174.392 175.800 -0.916 0.000 1.060 269 F CA -1.270 56.211 58.000 -0.865 0.000 0.940 269 F CB 2.007 40.401 39.000 -1.010 0.000 1.268 269 F HN 0.098 nan 8.300 nan 0.000 0.475 270 V N 2.315 122.090 119.914 -0.231 0.000 2.638 270 V HA 0.640 4.760 4.120 0.000 0.000 0.306 270 V C -1.060 175.161 176.094 0.212 0.000 1.052 270 V CA -0.820 61.419 62.300 -0.100 0.000 0.885 270 V CB 2.008 33.628 31.823 -0.338 0.000 0.999 270 V HN 0.614 nan 8.190 nan 0.000 0.424 271 V N 3.909 124.003 119.914 0.300 0.000 2.864 271 V HA 0.536 4.656 4.120 0.000 0.000 0.314 271 V C -0.367 175.953 176.094 0.376 0.000 1.073 271 V CA -0.711 61.780 62.300 0.319 0.000 0.956 271 V CB 2.256 34.211 31.823 0.219 0.000 1.023 271 V HN 1.009 nan 8.190 nan 0.000 0.435 272 N N 1.991 120.849 118.700 0.265 0.000 2.437 272 N HA 0.232 4.972 4.740 0.000 0.000 0.259 272 N C 1.010 176.499 175.510 -0.035 0.000 0.983 272 N CA 0.281 53.358 53.050 0.045 0.000 0.937 272 N CB 1.450 39.927 38.487 -0.017 0.000 1.122 272 N HN 0.853 nan 8.380 nan 0.000 0.499 273 T N 0.122 114.640 114.554 -0.060 0.000 3.067 273 T HA -0.016 4.334 4.350 0.000 0.000 0.261 273 T C 0.887 175.514 174.700 -0.122 0.000 1.110 273 T CA 0.648 62.715 62.100 -0.056 0.000 1.113 273 T CB 0.079 69.001 68.868 0.091 0.000 0.917 273 T HN 0.377 nan 8.240 nan 0.000 0.499 274 D N 2.667 122.982 120.400 -0.142 0.000 2.144 274 D HA -0.045 4.595 4.640 0.000 0.000 0.200 274 D C 1.802 178.037 176.300 -0.108 0.000 0.978 274 D CA 1.543 55.465 54.000 -0.130 0.000 0.833 274 D CB -0.297 40.414 40.800 -0.149 0.000 0.961 274 D HN 0.649 nan 8.370 nan 0.000 0.470 275 S N 0.188 115.831 115.700 -0.096 0.000 2.667 275 S HA 0.237 4.707 4.470 0.000 0.000 0.251 275 S C 0.574 175.141 174.600 -0.054 0.000 1.075 275 S CA -0.450 57.720 58.200 -0.051 0.000 1.130 275 S CB -0.553 62.638 63.200 -0.015 0.000 0.795 275 S HN 0.062 nan 8.310 nan 0.000 0.462 276 L N 1.491 122.626 121.223 -0.145 0.000 2.305 276 L HA 0.346 4.686 4.340 0.000 0.000 0.281 276 L C 1.483 178.349 176.870 -0.006 0.000 1.085 276 L CA -0.440 54.275 54.840 -0.208 0.000 0.813 276 L CB 1.473 43.114 42.059 -0.697 0.000 1.157 276 L HN 0.385 nan 8.230 nan 0.000 0.436 277 S N 1.455 117.269 115.700 0.190 0.000 2.398 277 S HA -0.095 4.375 4.470 0.000 0.000 0.220 277 S C 1.341 176.131 174.600 0.318 0.000 1.046 277 S CA 0.896 59.232 58.200 0.226 0.000 0.953 277 S CB 0.075 63.362 63.200 0.145 0.000 0.856 277 S HN 0.990 nan 8.310 nan 0.000 0.506 278 S N -1.315 114.586 115.700 0.334 0.000 3.084 278 S HA -0.137 4.333 4.470 0.000 0.000 0.277 278 S C 0.645 175.287 174.600 0.069 0.000 1.295 278 S CA 1.054 59.308 58.200 0.090 0.000 1.170 278 S CB -2.131 61.045 63.200 -0.039 0.000 1.412 278 S HN 0.669 nan 8.310 nan 0.000 0.669 279 V N -0.068 119.904 119.914 0.097 0.000 3.426 279 V HA 0.358 4.478 4.120 0.000 0.000 0.271 279 V C 0.695 176.826 176.094 0.061 0.000 1.530 279 V CA 0.883 63.222 62.300 0.064 0.000 1.021 279 V CB 1.029 32.886 31.823 0.058 0.000 0.824 279 V HN 0.678 nan 8.190 nan 0.000 0.432 280 T N 0.906 115.511 114.554 0.086 0.000 2.893 280 T HA 0.413 4.763 4.350 0.000 0.000 0.293 280 T C -0.501 174.263 174.700 0.107 0.000 1.027 280 T CA -0.565 61.577 62.100 0.071 0.000 0.988 280 T CB 1.764 70.669 68.868 0.062 0.000 1.043 280 T HN 0.035 nan 8.240 nan 0.000 0.461 281 N N 1.692 120.440 118.700 0.079 0.000 2.345 281 N HA 0.284 5.024 4.740 0.000 0.000 0.243 281 N C -0.007 175.578 175.510 0.125 0.000 1.246 281 N CA 0.060 53.189 53.050 0.131 0.000 0.863 281 N CB 0.392 38.886 38.487 0.013 0.000 1.096 281 N HN 0.865 nan 8.380 nan 0.000 0.446 282 A N 1.580 124.492 122.820 0.154 0.000 2.331 282 A HA 0.358 4.678 4.320 0.000 0.000 0.283 282 A C 0.230 177.872 177.584 0.098 0.000 1.142 282 A CA -0.420 51.684 52.037 0.111 0.000 0.812 282 A CB 0.314 19.368 19.000 0.091 0.000 1.074 282 A HN 0.519 nan 8.150 nan 0.000 0.497 283 T N 2.526 117.141 114.554 0.101 0.000 2.749 283 T HA 0.349 4.699 4.350 0.000 0.000 0.295 283 T C 0.241 175.031 174.700 0.150 0.000 0.936 283 T CA 0.425 62.594 62.100 0.115 0.000 1.060 283 T CB 0.304 69.247 68.868 0.125 0.000 0.904 283 T HN 0.517 nan 8.240 nan 0.000 0.500 284 S N 4.048 119.831 115.700 0.138 0.000 2.438 284 S HA 0.399 4.869 4.470 0.000 0.000 0.316 284 S C 0.085 174.843 174.600 0.264 0.000 1.084 284 S CA -0.765 57.543 58.200 0.180 0.000 1.107 284 S CB 0.251 63.489 63.200 0.063 0.000 0.981 284 S HN 0.465 nan 8.310 nan 0.000 0.466 285 I N 3.937 124.694 120.570 0.313 0.000 2.308 285 I HA 0.179 4.349 4.170 0.000 0.000 0.293 285 I C 0.805 177.089 176.117 0.279 0.000 1.078 285 I CA -0.142 61.355 61.300 0.329 0.000 1.292 285 I CB 0.191 38.458 38.000 0.444 0.000 1.423 285 I HN 0.700 nan 8.210 nan 0.000 0.493 286 Q N 6.120 126.078 119.800 0.264 0.000 2.395 286 Q HA 0.284 4.624 4.340 0.000 0.000 0.271 286 Q C -0.922 175.057 176.000 -0.036 0.000 1.026 286 Q CA 0.119 55.882 55.803 -0.067 0.000 0.900 286 Q CB 0.925 29.607 28.738 -0.095 0.000 1.266 286 Q HN 0.563 nan 8.270 nan 0.000 0.430 287 I N 4.181 124.691 120.570 -0.099 0.000 2.420 287 I HA 0.164 4.334 4.170 0.000 0.000 0.282 287 I C 0.553 176.637 176.117 -0.056 0.000 1.019 287 I CA -0.636 60.662 61.300 -0.002 0.000 1.130 287 I CB 1.428 39.461 38.000 0.055 0.000 1.262 287 I HN 0.838 nan 8.210 nan 0.000 0.454 288 T N 3.098 117.598 114.554 -0.090 0.000 2.905 288 T HA 0.496 4.846 4.350 0.000 0.000 0.400 288 T C 0.273 174.806 174.700 -0.277 0.000 1.098 288 T CA -0.393 61.610 62.100 -0.162 0.000 1.095 288 T CB 0.675 69.457 68.868 -0.143 0.000 1.281 288 T HN 0.630 nan 8.240 nan 0.000 0.515 289 A N -0.238 122.311 122.820 -0.452 0.000 2.569 289 A HA 0.738 5.058 4.320 0.000 0.000 0.290 289 A C -2.999 174.190 177.584 -0.659 0.000 1.136 289 A CA -2.003 49.514 52.037 -0.867 0.000 0.710 289 A CB 0.573 18.615 19.000 -1.596 0.000 1.303 289 A HN 0.618 nan 8.150 nan 0.000 0.413 290 P HA 0.228 nan 4.420 nan 0.000 0.264 290 P C 0.878 177.966 177.300 -0.353 0.000 1.193 290 P CA 0.870 63.731 63.100 -0.398 0.000 0.763 290 P CB 1.091 32.606 31.700 -0.308 0.000 0.810 291 A N 3.634 126.310 122.820 -0.239 0.000 1.978 291 A HA -0.200 4.120 4.320 0.000 0.000 0.220 291 A C 2.086 179.558 177.584 -0.187 0.000 1.170 291 A CA 2.246 54.163 52.037 -0.200 0.000 0.636 291 A CB -1.372 17.544 19.000 -0.139 0.000 0.810 291 A HN 0.584 nan 8.150 nan 0.000 0.448 292 S N -1.481 114.128 115.700 -0.152 0.000 2.507 292 S HA -0.051 4.419 4.470 0.000 0.000 0.235 292 S C 1.654 176.165 174.600 -0.148 0.000 0.988 292 S CA 1.399 59.529 58.200 -0.117 0.000 0.944 292 S CB -0.271 62.919 63.200 -0.016 0.000 0.762 292 S HN 0.402 nan 8.310 nan 0.000 0.526 293 M N 0.513 119.964 119.600 -0.248 0.000 2.545 293 M HA 0.374 4.854 4.480 0.000 0.000 0.264 293 M C 1.825 177.792 176.300 -0.556 0.000 1.155 293 M CA 0.567 55.642 55.300 -0.375 0.000 1.162 293 M CB -0.939 31.342 32.600 -0.532 0.000 1.330 293 M HN 0.336 nan 8.290 nan 0.000 0.479 294 L N 0.798 121.729 121.223 -0.486 0.000 2.291 294 L HA -0.102 4.238 4.340 0.000 0.000 0.214 294 L C 2.128 178.875 176.870 -0.205 0.000 1.120 294 L CA 0.424 55.033 54.840 -0.385 0.000 0.799 294 L CB -0.820 41.071 42.059 -0.280 0.000 0.925 294 L HN 0.268 nan 8.230 nan 0.000 0.446 295 I N -2.083 118.380 120.570 -0.178 0.000 3.164 295 I HA 0.144 4.314 4.170 0.000 0.000 0.278 295 I C 0.934 177.000 176.117 -0.085 0.000 1.320 295 I CA 0.516 61.746 61.300 -0.116 0.000 1.422 295 I CB -0.815 37.116 38.000 -0.115 0.000 1.066 295 I HN 0.045 nan 8.210 nan 0.000 0.503 296 G N -0.793 107.960 108.800 -0.077 0.000 2.489 296 G HA2 0.270 4.230 3.960 0.000 0.000 0.305 296 G HA3 0.270 4.230 3.960 0.000 0.000 0.305 296 G C -1.848 173.096 174.900 0.073 0.000 1.311 296 G CA -0.775 44.314 45.100 -0.018 0.000 0.813 296 G HN -0.008 nan 8.290 nan 0.000 0.480 297 D N 1.263 121.691 120.400 0.048 0.000 2.472 297 D HA 0.424 5.064 4.640 0.000 0.000 0.237 297 D C 0.439 176.764 176.300 0.041 0.000 1.141 297 D CA 0.923 54.938 54.000 0.024 0.000 0.875 297 D CB 0.368 41.114 40.800 -0.090 0.000 1.192 297 D HN 0.564 nan 8.370 nan 0.000 0.450 298 H N -0.707 118.222 119.070 -0.235 0.000 2.948 298 H HA 0.448 5.004 4.556 0.000 0.000 0.315 298 H C -1.478 173.717 175.328 -0.221 0.000 1.360 298 H CA -0.830 55.090 56.048 -0.212 0.000 1.125 298 H CB 0.211 29.977 29.762 0.006 0.000 1.844 298 H HN 0.309 nan 8.280 nan 0.000 0.529 299 Y N 0.156 120.634 120.300 0.295 0.000 2.477 299 Y HA 0.396 4.946 4.550 0.000 0.000 0.347 299 Y C -0.313 175.783 175.900 0.327 0.000 0.981 299 Y CA -1.086 57.178 58.100 0.273 0.000 1.033 299 Y CB 2.129 40.628 38.460 0.065 0.000 1.245 299 Y HN 0.523 nan 8.280 nan 0.000 0.455 300 L N 3.530 125.013 121.223 0.432 0.000 2.290 300 L HA 0.456 4.796 4.340 0.000 0.000 0.284 300 L C 0.389 177.264 176.870 0.008 0.000 1.078 300 L CA -0.059 54.706 54.840 -0.125 0.000 0.815 300 L CB 0.484 42.362 42.059 -0.302 0.000 1.162 300 L HN 1.005 nan 8.230 nan 0.000 0.435 301 C N 0.653 119.826 119.300 -0.210 0.000 3.882 301 C HA 0.594 5.054 4.460 0.000 0.000 0.340 301 C C 0.034 174.889 174.990 -0.225 0.000 1.563 301 C CA -0.176 58.652 59.018 -0.316 0.000 1.870 301 C CB -1.084 26.521 27.740 -0.224 0.000 2.795 301 C HN 0.871 nan 8.230 nan 0.000 0.692 302 D N 0.491 120.771 120.400 -0.201 0.000 2.837 302 D HA 0.539 5.179 4.640 0.000 0.000 0.220 302 D C -1.048 175.013 176.300 -0.399 0.000 1.236 302 D CA -0.198 53.711 54.000 -0.151 0.000 0.838 302 D CB 2.501 43.200 40.800 -0.168 0.000 1.647 302 D HN 0.568 nan 8.370 nan 0.000 0.486 303 V N 0.522 120.128 119.914 -0.514 0.000 2.638 303 V HA 0.912 5.032 4.120 0.000 0.000 0.306 303 V C -1.258 174.482 176.094 -0.590 0.000 1.052 303 V CA -0.224 61.593 62.300 -0.804 0.000 0.885 303 V CB 1.896 32.923 31.823 -1.326 0.000 0.999 303 V HN 0.611 nan 8.190 nan 0.000 0.424 304 T N 5.220 119.495 114.554 -0.466 0.000 3.011 304 T HA 0.424 4.774 4.350 0.000 0.000 0.303 304 T C -0.971 173.596 174.700 -0.221 0.000 0.997 304 T CA -0.129 61.842 62.100 -0.215 0.000 1.007 304 T CB 0.926 69.736 68.868 -0.097 0.000 1.017 304 T HN 0.812 nan 8.240 nan 0.000 0.443 305 W N 1.967 123.213 121.300 -0.089 0.000 2.190 305 W HA 0.479 5.139 4.660 -0.000 0.000 0.330 305 W C 1.086 177.517 176.519 -0.148 0.000 1.299 305 W CA -0.171 57.119 57.345 -0.092 0.000 1.215 305 W CB 0.609 30.085 29.460 0.026 0.000 1.147 305 W HN 0.851 nan 8.180 nan 0.000 0.563 306 A N 1.638 124.404 122.820 -0.089 0.000 1.988 306 A HA 0.224 4.544 4.320 0.000 0.000 0.201 306 A C 0.808 178.340 177.584 -0.086 0.000 1.410 306 A CA 1.301 53.058 52.037 -0.467 0.000 0.832 306 A CB -0.292 17.838 19.000 -1.450 0.000 0.981 306 A HN 0.508 nan 8.150 nan 0.000 0.492 307 T N -5.151 109.442 114.554 0.066 0.000 2.669 307 T HA 0.354 4.704 4.350 0.000 0.000 0.283 307 T C 0.239 175.093 174.700 0.258 0.000 1.019 307 T CA -0.342 61.848 62.100 0.149 0.000 1.039 307 T CB 0.779 69.716 68.868 0.114 0.000 1.374 307 T HN -0.042 nan 8.240 nan 0.000 0.523 308 Q N 0.381 120.304 119.800 0.205 0.000 2.291 308 Q HA 0.019 4.359 4.340 0.000 0.000 0.206 308 Q C 0.769 176.998 176.000 0.381 0.000 0.976 308 Q CA 1.441 57.370 55.803 0.210 0.000 0.875 308 Q CB -0.059 28.772 28.738 0.154 0.000 0.927 308 Q HN 0.830 nan 8.270 nan 0.000 0.450 309 E N -0.267 120.179 120.200 0.411 0.000 2.921 309 E HA 0.210 4.561 4.350 0.000 0.000 0.203 309 E C -0.222 176.688 176.600 0.517 0.000 0.975 309 E CA -0.174 56.520 56.400 0.490 0.000 1.225 309 E CB 1.093 30.982 29.700 0.314 0.000 1.048 309 E HN -0.035 nan 8.360 nan 0.000 0.477 310 R N 1.638 122.414 120.500 0.460 0.000 2.575 310 R HA 0.583 4.923 4.340 0.000 0.000 0.293 310 R C -1.661 174.638 176.300 -0.002 0.000 0.983 310 R CA -0.464 55.771 56.100 0.224 0.000 0.887 310 R CB 1.493 31.812 30.300 0.032 0.000 1.184 310 R HN 0.079 nan 8.270 nan 0.000 0.445 311 I N 2.828 123.226 120.570 -0.287 0.000 2.647 311 I HA 0.403 4.573 4.170 0.000 0.000 0.295 311 I C -1.188 174.603 176.117 -0.542 0.000 1.078 311 I CA -0.487 60.378 61.300 -0.726 0.000 1.048 311 I CB 2.332 39.461 38.000 -1.452 0.000 1.239 311 I HN 0.836 nan 8.210 nan 0.000 0.421 312 S N 7.449 122.825 115.700 -0.540 0.000 2.473 312 S HA 0.774 5.244 4.470 0.000 0.000 0.307 312 S C -1.277 173.019 174.600 -0.508 0.000 1.094 312 S CA -0.668 57.292 58.200 -0.400 0.000 1.070 312 S CB 1.715 64.787 63.200 -0.213 0.000 1.019 312 S HN 0.400 nan 8.310 nan 0.000 0.480 313 L N 2.392 123.326 121.223 -0.481 0.000 2.354 313 L HA 0.592 4.932 4.340 0.000 0.000 0.269 313 L C -0.181 176.405 176.870 -0.473 0.000 1.005 313 L CA -0.240 54.220 54.840 -0.634 0.000 0.819 313 L CB 1.882 43.497 42.059 -0.740 0.000 1.311 313 L HN 0.825 nan 8.230 nan 0.000 0.423 314 Q N 1.460 120.924 119.800 -0.561 0.000 2.325 314 Q HA 0.406 4.746 4.340 0.000 0.000 0.270 314 Q C -1.661 174.096 176.000 -0.406 0.000 1.020 314 Q CA -0.448 55.148 55.803 -0.344 0.000 0.785 314 Q CB 1.929 30.520 28.738 -0.245 0.000 1.259 314 Q HN 0.491 nan 8.270 nan 0.000 0.452 315 W N 2.546 123.799 121.300 -0.079 0.000 2.578 315 W HA 0.672 5.332 4.660 0.000 0.000 0.353 315 W C -0.686 175.861 176.519 0.047 0.000 1.088 315 W CA -0.648 56.703 57.345 0.010 0.000 1.235 315 W CB 1.020 30.487 29.460 0.010 0.000 1.362 315 W HN 0.398 nan 8.180 nan 0.000 0.592 316 L N 1.836 123.286 121.223 0.378 0.000 2.455 316 L HA 0.539 4.879 4.340 0.000 0.000 0.264 316 L C -0.428 176.632 176.870 0.317 0.000 0.968 316 L CA -1.112 53.902 54.840 0.290 0.000 0.827 316 L CB 1.519 43.720 42.059 0.235 0.000 1.317 316 L HN 0.420 nan 8.230 nan 0.000 0.407 317 R N 2.558 123.207 120.500 0.249 0.000 2.582 317 R HA 0.315 4.655 4.340 0.000 0.000 0.271 317 R C 1.039 177.407 176.300 0.113 0.000 1.078 317 R CA -0.332 55.865 56.100 0.162 0.000 1.127 317 R CB 0.674 31.059 30.300 0.142 0.000 1.038 317 R HN 0.659 nan 8.270 nan 0.000 0.500 318 R N 1.396 121.879 120.500 -0.028 0.000 2.105 318 R HA -0.081 4.259 4.340 0.000 0.000 0.239 318 R C 0.369 176.723 176.300 0.090 0.000 1.135 318 R CA 1.160 57.228 56.100 -0.054 0.000 0.967 318 R CB 0.156 30.381 30.300 -0.125 0.000 0.861 318 R HN 0.410 nan 8.270 nan 0.000 0.442 319 I N 2.768 123.372 120.570 0.058 0.000 2.347 319 I HA 0.001 4.171 4.170 0.000 0.000 0.294 319 I C 0.462 176.632 176.117 0.089 0.000 1.090 319 I CA 0.498 61.832 61.300 0.057 0.000 1.314 319 I CB 1.146 39.164 38.000 0.030 0.000 1.423 319 I HN 0.253 nan 8.210 nan 0.000 0.503 320 Q N 4.445 124.294 119.800 0.081 0.000 2.283 320 Q HA -0.029 4.311 4.340 0.000 0.000 0.223 320 Q C 0.533 176.601 176.000 0.113 0.000 0.918 320 Q CA 0.060 55.924 55.803 0.102 0.000 0.952 320 Q CB -0.181 28.577 28.738 0.033 0.000 1.030 320 Q HN 0.624 nan 8.270 nan 0.000 0.452 321 N N -0.744 118.024 118.700 0.113 0.000 2.234 321 N HA -0.019 4.721 4.740 0.000 0.000 0.227 321 N C -1.076 174.531 175.510 0.161 0.000 1.151 321 N CA -0.211 52.899 53.050 0.099 0.000 0.865 321 N CB 0.237 38.758 38.487 0.056 0.000 1.066 321 N HN 0.168 nan 8.380 nan 0.000 0.515 322 Y N 0.756 121.075 120.300 0.031 0.000 2.401 322 Y HA 0.527 5.077 4.550 0.000 0.000 0.330 322 Y C -1.214 174.714 175.900 0.047 0.000 1.071 322 Y CA -0.798 57.319 58.100 0.027 0.000 1.049 322 Y CB 1.459 39.927 38.460 0.013 0.000 1.239 322 Y HN 0.160 nan 8.280 nan 0.000 0.437 323 S N 4.273 119.816 115.700 -0.261 0.000 2.588 323 S HA 0.927 5.397 4.470 0.000 0.000 0.275 323 S C -2.215 172.252 174.600 -0.222 0.000 1.130 323 S CA -0.677 57.460 58.200 -0.106 0.000 0.855 323 S CB 1.967 65.151 63.200 -0.027 0.000 1.116 323 S HN 0.550 nan 8.310 nan 0.000 0.472 324 V N 2.598 122.488 119.914 -0.039 0.000 2.668 324 V HA 0.508 4.628 4.120 0.000 0.000 0.304 324 V C -0.631 175.490 176.094 0.046 0.000 1.071 324 V CA -0.571 61.717 62.300 -0.020 0.000 0.894 324 V CB 1.842 33.688 31.823 0.038 0.000 1.008 324 V HN 1.033 nan 8.190 nan 0.000 0.425 325 M N 3.753 123.350 119.600 -0.005 0.000 2.238 325 M HA 0.540 5.020 4.480 0.000 0.000 0.350 325 M C -1.157 175.149 176.300 0.010 0.000 1.138 325 M CA -0.186 55.085 55.300 -0.049 0.000 1.040 325 M CB 1.211 33.708 32.600 -0.172 0.000 1.639 325 M HN 0.631 nan 8.290 nan 0.000 0.451 326 D N 4.428 124.826 120.400 -0.003 0.000 2.272 326 D HA 0.605 5.245 4.640 0.000 0.000 0.247 326 D C -1.158 175.100 176.300 -0.070 0.000 0.990 326 D CA -0.102 53.898 54.000 -0.001 0.000 0.931 326 D CB 1.892 42.712 40.800 0.033 0.000 1.195 326 D HN 0.599 nan 8.370 nan 0.000 0.477 327 I N 1.610 122.160 120.570 -0.032 0.000 2.468 327 I HA 0.257 4.427 4.170 0.000 0.000 0.285 327 I C -0.832 175.274 176.117 -0.019 0.000 1.039 327 I CA -0.531 60.737 61.300 -0.054 0.000 1.074 327 I CB 1.573 39.580 38.000 0.011 0.000 1.228 327 I HN 0.175 nan 8.210 nan 0.000 0.436 328 c N 3.742 122.320 118.600 -0.037 0.000 2.417 328 c HA 0.575 5.145 4.570 0.000 0.000 0.324 328 c C -0.315 173.929 174.090 0.258 0.000 1.240 328 c CA -0.664 55.724 56.329 0.098 0.000 1.632 328 c CB 1.200 43.775 42.510 0.108 0.000 2.241 328 c HN 0.570 nan 8.230 nan 0.000 0.499 329 D N 0.272 120.816 120.400 0.241 0.000 2.198 329 D HA 0.306 4.946 4.640 0.000 0.000 0.247 329 D C -0.602 175.664 176.300 -0.056 0.000 1.010 329 D CA -0.230 53.873 54.000 0.173 0.000 0.880 329 D CB 0.885 41.718 40.800 0.055 0.000 1.209 329 D HN 0.551 nan 8.370 nan 0.000 0.451 330 Y N 1.490 121.419 120.300 -0.618 0.000 2.526 330 Y HA 0.167 4.717 4.550 0.000 0.000 0.330 330 Y C -0.050 175.554 175.900 -0.492 0.000 1.156 330 Y CA -0.123 57.290 58.100 -1.145 0.000 1.419 330 Y CB 0.595 38.435 38.460 -1.032 0.000 1.250 330 Y HN 0.140 nan 8.280 nan 0.000 0.540 331 D N 5.346 125.111 120.400 -1.058 0.000 2.485 331 D HA 0.088 4.728 4.640 0.000 0.000 0.229 331 D C 0.868 176.635 176.300 -0.888 0.000 1.101 331 D CA -0.132 53.446 54.000 -0.704 0.000 0.906 331 D CB 0.521 41.083 40.800 -0.396 0.000 1.019 331 D HN 0.855 nan 8.370 nan 0.000 0.516 332 E N 1.645 121.414 120.200 -0.718 0.000 2.147 332 E HA -0.253 4.097 4.350 0.000 0.000 0.199 332 E C 1.463 177.909 176.600 -0.256 0.000 1.005 332 E CA 1.926 58.050 56.400 -0.460 0.000 0.810 332 E CB 0.376 29.988 29.700 -0.147 0.000 0.736 332 E HN 0.519 nan 8.360 nan 0.000 0.460 333 S N -0.107 115.465 115.700 -0.213 0.000 2.325 333 S HA -0.190 4.280 4.470 0.000 0.000 0.213 333 S C 2.242 176.773 174.600 -0.115 0.000 1.031 333 S CA 1.232 59.358 58.200 -0.122 0.000 0.984 333 S CB -0.886 62.255 63.200 -0.098 0.000 0.939 333 S HN 0.375 nan 8.310 nan 0.000 0.438 334 S N 1.499 117.114 115.700 -0.141 0.000 2.419 334 S HA 0.153 4.623 4.470 0.000 0.000 0.235 334 S C 1.913 176.465 174.600 -0.080 0.000 1.019 334 S CA 1.267 59.407 58.200 -0.099 0.000 0.982 334 S CB -1.412 61.728 63.200 -0.100 0.000 0.789 334 S HN 1.753 nan 8.310 nan 0.000 0.490 335 G N 0.870 109.575 108.800 -0.160 0.000 2.184 335 G HA2 -0.295 3.665 3.960 0.000 0.000 0.264 335 G HA3 -0.295 3.665 3.960 0.000 0.000 0.264 335 G C 0.255 175.182 174.900 0.046 0.000 0.975 335 G CA 0.507 45.592 45.100 -0.026 0.000 0.642 335 G HN 0.674 nan 8.290 nan 0.000 0.536 336 R N -1.687 118.754 120.500 -0.099 0.000 2.705 336 R HA 0.639 4.979 4.340 0.000 0.000 0.246 336 R C -0.713 175.481 176.300 -0.176 0.000 1.142 336 R CA -0.832 55.273 56.100 0.008 0.000 1.114 336 R CB 0.657 30.983 30.300 0.044 0.000 1.256 336 R HN 0.162 nan 8.270 nan 0.000 0.536 337 W N 1.327 122.668 121.300 0.068 0.000 2.429 337 W HA 0.351 5.011 4.660 -0.000 0.000 0.314 337 W C -0.020 176.493 176.519 -0.009 0.000 1.062 337 W CA -0.379 56.986 57.345 0.035 0.000 1.211 337 W CB 0.826 30.299 29.460 0.022 0.000 1.305 337 W HN 0.392 nan 8.180 nan 0.000 0.476 338 N N 3.173 121.953 118.700 0.133 0.000 2.354 338 N HA 0.485 5.225 4.740 0.000 0.000 0.287 338 N C -1.609 173.940 175.510 0.066 0.000 1.016 338 N CA -0.543 52.547 53.050 0.066 0.000 0.871 338 N CB 1.399 39.886 38.487 0.000 0.000 1.299 338 N HN 0.372 nan 8.380 nan 0.000 0.482 339 c N 4.180 122.806 118.600 0.044 0.000 2.293 339 c HA 0.451 5.021 4.570 0.000 0.000 0.323 339 c C 0.580 174.676 174.090 0.010 0.000 1.240 339 c CA -1.005 55.341 56.329 0.029 0.000 1.497 339 c CB -0.763 41.755 42.510 0.013 0.000 2.171 339 c HN 0.607 nan 8.230 nan 0.000 0.465 340 L N 2.623 123.854 121.223 0.013 0.000 2.371 340 L HA 0.295 4.635 4.340 0.000 0.000 0.272 340 L C 1.187 178.055 176.870 -0.004 0.000 1.124 340 L CA -0.352 54.489 54.840 0.001 0.000 0.816 340 L CB 0.315 42.377 42.059 0.005 0.000 1.129 340 L HN 0.479 nan 8.230 nan 0.000 0.448 341 V N 1.830 121.733 119.914 -0.017 0.000 3.241 341 V HA -0.157 3.963 4.120 0.000 0.000 0.269 341 V C 1.903 177.977 176.094 -0.034 0.000 1.151 341 V CA 1.735 64.019 62.300 -0.027 0.000 1.158 341 V CB -0.594 31.209 31.823 -0.034 0.000 0.764 341 V HN 0.974 nan 8.190 nan 0.000 0.508 342 A N -0.293 122.511 122.820 -0.026 0.000 2.387 342 A HA 0.203 4.523 4.320 0.000 0.000 0.234 342 A C 1.960 179.526 177.584 -0.030 0.000 1.253 342 A CA -0.004 52.011 52.037 -0.037 0.000 0.894 342 A CB -0.107 18.878 19.000 -0.024 0.000 0.963 342 A HN 0.479 nan 8.150 nan 0.000 0.508 343 R N -0.442 120.060 120.500 0.003 0.000 2.437 343 R HA 0.175 4.515 4.340 0.000 0.000 0.257 343 R C 0.114 176.478 176.300 0.108 0.000 0.927 343 R CA -0.152 55.992 56.100 0.074 0.000 1.078 343 R CB 0.318 30.690 30.300 0.119 0.000 1.161 343 R HN 0.547 nan 8.270 nan 0.000 0.529 344 Q N 0.368 120.167 119.800 -0.002 0.000 2.454 344 Q HA 0.058 4.398 4.340 0.000 0.000 0.247 344 Q C -0.825 175.095 176.000 -0.134 0.000 1.028 344 Q CA 0.679 56.492 55.803 0.016 0.000 0.910 344 Q CB 0.652 29.375 28.738 -0.024 0.000 1.276 344 Q HN 0.188 nan 8.270 nan 0.000 0.489 345 H N 0.388 119.430 119.070 -0.047 0.000 3.181 345 H HA 0.334 4.890 4.556 0.000 0.000 0.331 345 H C -1.099 174.164 175.328 -0.108 0.000 0.988 345 H CA -0.272 55.738 56.048 -0.063 0.000 1.449 345 H CB 0.635 30.336 29.762 -0.102 0.000 1.749 345 H HN 0.413 nan 8.280 nan 0.000 0.501 346 I N 1.779 122.322 120.570 -0.044 0.000 2.713 346 I HA 0.293 4.463 4.170 0.000 0.000 0.300 346 I C 0.174 176.207 176.117 -0.139 0.000 1.009 346 I CA -0.034 61.161 61.300 -0.175 0.000 1.305 346 I CB 1.131 39.011 38.000 -0.199 0.000 1.430 346 I HN 0.568 nan 8.210 nan 0.000 0.546 347 E N 6.184 126.240 120.200 -0.241 0.000 2.311 347 E HA 0.603 4.953 4.350 0.000 0.000 0.281 347 E C -1.391 175.101 176.600 -0.180 0.000 0.905 347 E CA -0.670 55.651 56.400 -0.132 0.000 0.778 347 E CB 1.389 31.038 29.700 -0.085 0.000 1.240 347 E HN 0.592 nan 8.360 nan 0.000 0.410 348 M N 1.045 120.596 119.600 -0.082 0.000 2.683 348 M HA 0.699 5.179 4.480 0.000 0.000 0.274 348 M C -1.353 174.946 176.300 -0.002 0.000 1.272 348 M CA -0.893 54.390 55.300 -0.029 0.000 0.833 348 M CB 2.199 34.822 32.600 0.037 0.000 1.708 348 M HN 0.292 nan 8.290 nan 0.000 0.463 349 S N -0.982 114.721 115.700 0.004 0.000 2.588 349 S HA 0.754 5.224 4.470 0.000 0.000 0.275 349 S C -0.177 174.407 174.600 -0.027 0.000 1.130 349 S CA 0.156 58.338 58.200 -0.031 0.000 0.855 349 S CB 2.107 65.246 63.200 -0.101 0.000 1.116 349 S HN 0.920 nan 8.310 nan 0.000 0.472 350 T N -0.601 113.930 114.554 -0.039 0.000 2.975 350 T HA 0.130 4.480 4.350 0.000 0.000 0.261 350 T C 1.351 176.014 174.700 -0.062 0.000 0.984 350 T CA 0.575 62.654 62.100 -0.036 0.000 0.911 350 T CB -0.265 68.596 68.868 -0.011 0.000 1.127 350 T HN 0.611 nan 8.240 nan 0.000 0.514 351 T N 0.137 114.639 114.554 -0.086 0.000 3.014 351 T HA 0.507 4.857 4.350 0.000 0.000 0.263 351 T C 1.347 175.856 174.700 -0.317 0.000 1.078 351 T CA 0.634 62.678 62.100 -0.092 0.000 1.135 351 T CB 0.106 69.009 68.868 0.058 0.000 0.895 351 T HN 0.624 nan 8.240 nan 0.000 0.480 352 G N 0.494 108.934 108.800 -0.600 0.000 2.929 352 G HA2 0.475 4.435 3.960 0.000 0.000 0.123 352 G HA3 0.475 4.435 3.960 0.000 0.000 0.123 352 G C -1.754 172.898 174.900 -0.413 0.000 1.212 352 G CA -0.506 44.134 45.100 -0.766 0.000 1.238 352 G HN 0.480 nan 8.290 nan 0.000 0.617 353 W N 0.223 121.249 121.300 -0.457 0.000 2.576 353 W HA 0.785 5.445 4.660 0.000 0.000 0.360 353 W C -0.525 175.932 176.519 -0.103 0.000 1.109 353 W CA -1.421 55.793 57.345 -0.219 0.000 1.237 353 W CB 1.176 30.494 29.460 -0.237 0.000 1.369 353 W HN 0.275 nan 8.180 nan 0.000 0.609 354 V N 3.743 123.721 119.914 0.107 0.000 2.488 354 V HA 0.636 4.756 4.120 0.000 0.000 0.277 354 V C 0.850 177.019 176.094 0.126 0.000 1.046 354 V CA 0.726 63.053 62.300 0.046 0.000 0.986 354 V CB -0.139 31.710 31.823 0.044 0.000 0.989 354 V HN 1.303 nan 8.190 nan 0.000 0.475 355 G N 5.277 114.101 108.800 0.039 0.000 2.746 355 G HA2 -0.174 3.786 3.960 0.000 0.000 0.685 355 G HA3 -0.174 3.786 3.960 0.000 0.000 0.685 355 G C 0.336 175.304 174.900 0.114 0.000 1.350 355 G CA 0.028 45.175 45.100 0.078 0.000 0.837 355 G HN 0.603 nan 8.290 nan 0.000 0.564 356 R N -0.600 119.936 120.500 0.060 0.000 2.062 356 R HA 0.083 4.423 4.340 0.000 0.000 0.231 356 R C 1.998 178.154 176.300 -0.239 0.000 1.136 356 R CA 2.272 58.321 56.100 -0.085 0.000 0.948 356 R CB -0.127 30.095 30.300 -0.130 0.000 0.845 356 R HN 0.507 nan 8.270 nan 0.000 0.430 357 F N -1.007 119.086 119.950 0.239 0.000 2.699 357 F HA 0.243 4.770 4.527 0.000 0.000 0.295 357 F C 0.751 176.575 175.800 0.039 0.000 1.052 357 F CA -0.360 57.719 58.000 0.132 0.000 1.239 357 F CB 0.533 39.602 39.000 0.114 0.000 1.018 357 F HN -0.138 nan 8.300 nan 0.000 0.627 358 R N -0.404 120.226 120.500 0.217 0.000 2.781 358 R HA 0.530 4.870 4.340 0.000 0.000 0.269 358 R C -3.204 173.149 176.300 0.089 0.000 1.025 358 R CA -2.068 54.085 56.100 0.088 0.000 0.914 358 R CB 0.124 30.428 30.300 0.007 0.000 1.236 358 R HN -0.330 nan 8.270 nan 0.000 0.465 359 P HA -0.027 nan 4.420 nan 0.000 0.266 359 P C -0.326 176.988 177.300 0.024 0.000 1.193 359 P CA 0.132 63.245 63.100 0.020 0.000 0.770 359 P CB 0.580 32.266 31.700 -0.025 0.000 0.836 360 S N 1.115 116.836 115.700 0.035 0.000 2.608 360 S HA 0.289 4.759 4.470 0.000 0.000 0.261 360 S C -0.112 174.490 174.600 0.003 0.000 1.314 360 S CA -0.630 57.605 58.200 0.057 0.000 0.992 360 S CB 0.069 63.324 63.200 0.091 0.000 0.935 360 S HN 0.377 nan 8.310 nan 0.000 0.564 361 E N 0.616 120.825 120.200 0.015 0.000 2.191 361 E HA 0.529 4.879 4.350 0.000 0.000 0.278 361 E C -2.754 173.768 176.600 -0.129 0.000 0.972 361 E CA -2.669 53.679 56.400 -0.086 0.000 0.804 361 E CB -0.085 29.555 29.700 -0.101 0.000 1.110 361 E HN 0.374 nan 8.360 nan 0.000 0.394 362 P HA 0.096 nan 4.420 nan 0.000 0.275 362 P C -0.723 176.396 177.300 -0.302 0.000 1.228 362 P CA -0.132 62.786 63.100 -0.303 0.000 0.786 362 P CB 0.583 31.782 31.700 -0.834 0.000 0.927 363 H N 2.319 121.404 119.070 0.025 0.000 2.762 363 H HA 0.285 4.841 4.556 0.000 0.000 0.310 363 H C -0.037 175.415 175.328 0.206 0.000 1.004 363 H CA -0.329 55.815 56.048 0.161 0.000 1.267 363 H CB 0.237 30.121 29.762 0.204 0.000 1.437 363 H HN 0.307 nan 8.280 nan 0.000 0.498 364 F N 1.572 121.712 119.950 0.318 0.000 2.378 364 F HA 0.087 4.614 4.527 0.000 0.000 0.319 364 F C 1.621 177.615 175.800 0.324 0.000 1.155 364 F CA -0.334 57.857 58.000 0.318 0.000 1.157 364 F CB 0.867 39.982 39.000 0.192 0.000 1.252 364 F HN 0.341 nan 8.300 nan 0.000 0.550 365 T N -0.190 114.672 114.554 0.512 0.000 2.849 365 T HA 0.203 4.553 4.350 0.000 0.000 0.284 365 T C 0.985 175.871 174.700 0.310 0.000 1.004 365 T CA -0.797 61.534 62.100 0.384 0.000 1.021 365 T CB 0.915 69.992 68.868 0.348 0.000 1.013 365 T HN 0.560 nan 8.240 nan 0.000 0.527 366 L N 1.266 122.629 121.223 0.234 0.000 2.013 366 L HA -0.127 4.213 4.340 0.000 0.000 0.212 366 L C 2.148 179.119 176.870 0.168 0.000 1.073 366 L CA 2.470 57.421 54.840 0.185 0.000 0.753 366 L CB -0.925 41.221 42.059 0.146 0.000 0.890 366 L HN 0.937 nan 8.230 nan 0.000 0.432 367 D N -1.281 119.218 120.400 0.165 0.000 2.317 367 D HA 0.039 4.679 4.640 0.000 0.000 0.211 367 D C 1.613 178.004 176.300 0.151 0.000 0.966 367 D CA 0.842 54.927 54.000 0.142 0.000 0.876 367 D CB -0.571 40.305 40.800 0.127 0.000 0.927 367 D HN 0.439 nan 8.370 nan 0.000 0.519 368 G N 0.460 109.385 108.800 0.209 0.000 2.147 368 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 368 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 368 G C 0.673 175.734 174.900 0.269 0.000 1.005 368 G CA 0.319 45.552 45.100 0.222 0.000 0.713 368 G HN 0.410 nan 8.290 nan 0.000 0.515 369 N N -0.127 118.726 118.700 0.255 0.000 2.254 369 N HA 0.148 4.888 4.740 0.000 0.000 0.190 369 N C 0.763 176.392 175.510 0.198 0.000 1.107 369 N CA 1.018 54.194 53.050 0.209 0.000 0.869 369 N CB 0.614 39.182 38.487 0.135 0.000 0.983 369 N HN 0.780 nan 8.380 nan 0.000 0.487 370 S N 0.077 115.917 115.700 0.234 0.000 2.607 370 S HA 0.782 5.252 4.470 0.000 0.000 0.273 370 S C -0.904 173.771 174.600 0.124 0.000 1.148 370 S CA -0.964 57.242 58.200 0.010 0.000 0.833 370 S CB 1.879 64.952 63.200 -0.211 0.000 1.130 370 S HN 0.172 nan 8.310 nan 0.000 0.470 371 F N -1.925 117.847 119.950 -0.297 0.000 2.668 371 F HA 0.808 5.336 4.527 0.000 0.000 0.309 371 F C -2.119 173.534 175.800 -0.244 0.000 1.117 371 F CA -1.536 56.262 58.000 -0.336 0.000 0.951 371 F CB 0.641 39.061 39.000 -0.966 0.000 1.323 371 F HN 0.570 nan 8.300 nan 0.000 0.451 372 Y N 1.242 121.683 120.300 0.234 0.000 2.387 372 Y HA 0.695 5.245 4.550 -0.000 0.000 0.336 372 Y C -0.212 175.860 175.900 0.286 0.000 1.067 372 Y CA -0.871 57.361 58.100 0.219 0.000 1.114 372 Y CB 2.045 40.593 38.460 0.146 0.000 1.208 372 Y HN 0.746 nan 8.280 nan 0.000 0.458 373 K N 2.716 123.356 120.400 0.400 0.000 2.543 373 K HA 0.507 4.827 4.320 0.000 0.000 0.255 373 K C -1.787 174.972 176.600 0.265 0.000 0.934 373 K CA -0.495 55.988 56.287 0.326 0.000 0.810 373 K CB 1.333 33.999 32.500 0.277 0.000 1.315 373 K HN 0.732 nan 8.250 nan 0.000 0.433 374 I N 6.848 127.544 120.570 0.209 0.000 2.347 374 I HA 0.189 4.359 4.170 0.000 0.000 0.294 374 I C 0.271 176.486 176.117 0.164 0.000 1.090 374 I CA -0.288 61.112 61.300 0.167 0.000 1.314 374 I CB -0.184 37.895 38.000 0.130 0.000 1.423 374 I HN 0.508 nan 8.210 nan 0.000 0.503 375 I N 2.784 123.485 120.570 0.220 0.000 2.957 375 I HA 0.573 4.743 4.170 0.000 0.000 0.310 375 I C -0.002 176.254 176.117 0.233 0.000 1.063 375 I CA -0.579 60.848 61.300 0.211 0.000 1.033 375 I CB 2.157 40.298 38.000 0.235 0.000 1.230 375 I HN 0.350 nan 8.210 nan 0.000 0.447 376 S N 2.835 118.614 115.700 0.132 0.000 2.537 376 S HA 0.334 4.804 4.470 0.000 0.000 0.275 376 S C -0.178 174.476 174.600 0.090 0.000 1.272 376 S CA -0.647 57.573 58.200 0.034 0.000 1.050 376 S CB -0.141 63.017 63.200 -0.070 0.000 0.961 376 S HN 0.948 nan 8.310 nan 0.000 0.496 377 N N 2.745 121.394 118.700 -0.087 0.000 2.495 377 N HA 0.216 4.956 4.740 0.000 0.000 0.294 377 N C 0.734 176.172 175.510 -0.120 0.000 1.276 377 N CA -0.633 52.259 53.050 -0.262 0.000 0.973 377 N CB 0.148 38.063 38.487 -0.952 0.000 1.143 377 N HN 0.579 nan 8.380 nan 0.000 0.589 378 E N -0.159 119.965 120.200 -0.126 0.000 2.114 378 E HA -0.235 4.115 4.350 0.000 0.000 0.199 378 E C 1.034 177.597 176.600 -0.061 0.000 1.008 378 E CA 1.817 58.180 56.400 -0.062 0.000 0.810 378 E CB -0.117 29.544 29.700 -0.064 0.000 0.739 378 E HN 0.699 nan 8.360 nan 0.000 0.456 379 E N -1.454 118.708 120.200 -0.063 0.000 2.444 379 E HA 0.152 4.502 4.350 0.000 0.000 0.191 379 E C 0.700 177.278 176.600 -0.036 0.000 1.041 379 E CA 0.532 56.925 56.400 -0.011 0.000 0.883 379 E CB 0.368 30.097 29.700 0.048 0.000 1.024 379 E HN 0.282 nan 8.360 nan 0.000 0.470 380 G N 0.945 109.676 108.800 -0.114 0.000 2.149 380 G HA2 -0.282 3.678 3.960 0.000 0.000 0.235 380 G HA3 -0.282 3.678 3.960 0.000 0.000 0.235 380 G C -0.573 174.062 174.900 -0.441 0.000 1.018 380 G CA -0.031 44.907 45.100 -0.269 0.000 0.728 380 G HN 0.296 nan 8.290 nan 0.000 0.508 381 Y N -0.438 119.744 120.300 -0.195 0.000 2.387 381 Y HA 0.657 5.207 4.550 0.000 0.000 0.336 381 Y C 1.085 176.856 175.900 -0.214 0.000 1.067 381 Y CA -0.943 57.035 58.100 -0.204 0.000 1.114 381 Y CB 1.220 39.581 38.460 -0.165 0.000 1.208 381 Y HN 0.106 nan 8.280 nan 0.000 0.458 382 R N 3.536 123.922 120.500 -0.190 0.000 2.210 382 R HA 0.295 4.635 4.340 0.000 0.000 0.338 382 R C -0.857 175.192 176.300 -0.419 0.000 1.062 382 R CA -0.066 55.918 56.100 -0.192 0.000 0.902 382 R CB 0.060 30.282 30.300 -0.129 0.000 1.050 382 R HN 0.662 nan 8.270 nan 0.000 0.461 383 H N 1.838 120.852 119.070 -0.093 0.000 2.949 383 H HA 0.326 4.883 4.556 0.000 0.000 0.356 383 H C -0.093 175.290 175.328 0.091 0.000 1.212 383 H CA -0.965 55.008 56.048 -0.124 0.000 1.136 383 H CB 1.721 31.282 29.762 -0.334 0.000 1.869 383 H HN 0.296 nan 8.280 nan 0.000 0.556 384 I N 1.354 122.006 120.570 0.138 0.000 2.471 384 I HA 0.010 4.180 4.170 0.000 0.000 0.286 384 I C 0.436 176.635 176.117 0.136 0.000 1.079 384 I CA 0.253 61.611 61.300 0.096 0.000 1.398 384 I CB 0.282 38.232 38.000 -0.083 0.000 1.403 384 I HN 0.170 nan 8.210 nan 0.000 0.530 385 c N 6.693 125.325 118.600 0.053 0.000 2.454 385 c HA 0.482 5.052 4.570 0.000 0.000 0.336 385 c C -0.569 173.406 174.090 -0.192 0.000 1.189 385 c CA -0.428 55.723 56.329 -0.297 0.000 1.877 385 c CB 1.339 43.497 42.510 -0.587 0.000 2.348 385 c HN 0.645 nan 8.230 nan 0.000 0.508 386 Y N 3.396 123.324 120.300 -0.620 0.000 2.376 386 Y HA 0.651 5.201 4.550 0.000 0.000 0.326 386 Y C -1.139 174.290 175.900 -0.786 0.000 0.970 386 Y CA -1.121 56.585 58.100 -0.658 0.000 1.248 386 Y CB 0.165 38.339 38.460 -0.476 0.000 1.117 386 Y HN 0.591 nan 8.280 nan 0.000 0.476 387 F N 3.726 122.936 119.950 -1.234 0.000 2.470 387 F HA 0.523 5.050 4.527 0.000 0.000 0.329 387 F C -0.040 175.068 175.800 -1.155 0.000 1.072 387 F CA -0.775 56.522 58.000 -1.173 0.000 0.989 387 F CB 1.322 39.396 39.000 -1.544 0.000 1.193 387 F HN 0.278 nan 8.300 nan 0.000 0.481 388 Q N 2.858 122.380 119.800 -0.463 0.000 2.245 388 Q HA 0.323 4.663 4.340 0.000 0.000 0.256 388 Q C 1.276 177.297 176.000 0.035 0.000 0.942 388 Q CA -0.392 55.267 55.803 -0.241 0.000 0.896 388 Q CB 1.858 30.501 28.738 -0.158 0.000 1.272 388 Q HN 0.854 nan 8.270 nan 0.000 0.442 389 I N -1.249 119.409 120.570 0.146 0.000 2.423 389 I HA -0.216 3.954 4.170 0.000 0.000 0.254 389 I C 0.172 176.510 176.117 0.369 0.000 1.151 389 I CA 1.596 63.093 61.300 0.329 0.000 1.421 389 I CB -0.176 38.007 38.000 0.305 0.000 1.079 389 I HN 0.380 nan 8.210 nan 0.000 0.431 390 D N 0.281 120.799 120.400 0.196 0.000 2.670 390 D HA 0.280 4.920 4.640 0.000 0.000 0.255 390 D C -0.073 176.248 176.300 0.036 0.000 1.286 390 D CA -0.391 53.671 54.000 0.104 0.000 0.830 390 D CB 0.228 41.065 40.800 0.062 0.000 1.065 390 D HN 0.232 nan 8.370 nan 0.000 0.486 391 K N 0.628 121.068 120.400 0.066 0.000 2.545 391 K HA 0.235 4.555 4.320 0.000 0.000 0.252 391 K C 0.853 177.461 176.600 0.013 0.000 0.948 391 K CA -0.749 55.541 56.287 0.004 0.000 0.827 391 K CB 1.886 34.372 32.500 -0.024 0.000 1.128 391 K HN -0.095 nan 8.250 nan 0.000 0.429 392 K N 2.059 122.419 120.400 -0.067 0.000 2.059 392 K HA -0.141 4.179 4.320 0.000 0.000 0.212 392 K C -0.277 176.334 176.600 0.019 0.000 1.050 392 K CA 1.718 57.965 56.287 -0.066 0.000 0.927 392 K CB 0.119 32.576 32.500 -0.071 0.000 0.714 392 K HN 0.542 nan 8.250 nan 0.000 0.447 393 D N 0.480 120.849 120.400 -0.052 0.000 2.255 393 D HA 0.133 4.773 4.640 0.000 0.000 0.249 393 D C -0.176 175.942 176.300 -0.303 0.000 1.078 393 D CA -0.285 53.632 54.000 -0.139 0.000 0.896 393 D CB 1.325 42.051 40.800 -0.124 0.000 1.194 393 D HN 0.410 nan 8.370 nan 0.000 0.429 394 c N -0.196 118.079 118.600 -0.542 0.000 2.630 394 c HA 0.854 5.424 4.570 0.000 0.000 0.346 394 c C -0.004 173.726 174.090 -0.599 0.000 1.245 394 c CA -0.628 55.187 56.329 -0.857 0.000 1.804 394 c CB 1.246 42.666 42.510 -1.816 0.000 2.279 394 c HN 0.484 nan 8.230 nan 0.000 0.498 395 T N 1.528 115.778 114.554 -0.508 0.000 2.792 395 T HA 0.517 4.867 4.350 0.000 0.000 0.280 395 T C -0.709 173.781 174.700 -0.350 0.000 0.990 395 T CA 0.100 62.025 62.100 -0.292 0.000 0.960 395 T CB 0.553 69.392 68.868 -0.049 0.000 0.939 395 T HN 0.478 nan 8.240 nan 0.000 0.439 396 F N 2.868 122.711 119.950 -0.178 0.000 2.484 396 F HA 0.260 4.787 4.527 -0.000 0.000 0.360 396 F C 1.610 177.260 175.800 -0.249 0.000 1.101 396 F CA -0.843 57.037 58.000 -0.199 0.000 1.251 396 F CB 0.431 39.312 39.000 -0.199 0.000 1.132 396 F HN 0.585 nan 8.300 nan 0.000 0.570 397 I N -0.587 119.885 120.570 -0.164 0.000 4.057 397 I HA 0.249 4.419 4.170 0.000 0.000 0.334 397 I C 0.118 176.060 176.117 -0.291 0.000 1.308 397 I CA 0.118 61.114 61.300 -0.507 0.000 1.125 397 I CB 0.208 37.591 38.000 -1.028 0.000 1.034 397 I HN 0.503 nan 8.210 nan 0.000 0.401 398 T N 0.109 114.555 114.554 -0.180 0.000 2.909 398 T HA 0.705 5.055 4.350 0.000 0.000 0.299 398 T C -0.728 173.623 174.700 -0.583 0.000 1.073 398 T CA -0.644 61.333 62.100 -0.205 0.000 0.999 398 T CB 2.589 71.419 68.868 -0.063 0.000 1.098 398 T HN 0.460 nan 8.240 nan 0.000 0.477 399 K N 0.638 120.600 120.400 -0.730 0.000 2.495 399 K HA 0.974 5.294 4.320 0.000 0.000 0.268 399 K C -0.157 175.844 176.600 -0.999 0.000 1.008 399 K CA -0.972 54.582 56.287 -1.221 0.000 0.882 399 K CB 1.598 33.691 32.500 -0.679 0.000 1.443 399 K HN 1.355 nan 8.250 nan 0.000 0.447 400 G N -0.601 107.612 108.800 -0.978 0.000 2.359 400 G HA2 0.116 4.076 3.960 0.000 0.000 0.314 400 G HA3 0.116 4.076 3.960 0.000 0.000 0.314 400 G C -1.236 173.137 174.900 -0.877 0.000 1.364 400 G CA -0.856 43.830 45.100 -0.691 0.000 0.978 400 G HN 0.449 nan 8.290 nan 0.000 0.615 401 T N 2.529 116.743 114.554 -0.567 0.000 3.783 401 T HA 0.511 4.861 4.350 0.000 0.000 0.262 401 T C -0.323 174.239 174.700 -0.230 0.000 1.381 401 T CA 0.563 62.204 62.100 -0.766 0.000 1.155 401 T CB -1.111 67.553 68.868 -0.340 0.000 1.256 401 T HN 0.701 nan 8.240 nan 0.000 0.807 402 W N -0.015 121.139 121.300 -0.242 0.000 2.929 402 W HA 0.518 5.178 4.660 -0.000 0.000 0.363 402 W C -1.505 175.015 176.519 0.003 0.000 1.168 402 W CA -0.979 56.371 57.345 0.008 0.000 1.163 402 W CB 0.648 30.091 29.460 -0.028 0.000 1.455 402 W HN 0.004 nan 8.180 nan 0.000 0.568 403 E N 0.911 121.270 120.200 0.264 0.000 2.288 403 E HA 0.453 4.803 4.350 0.000 0.000 0.268 403 E C -0.979 175.713 176.600 0.152 0.000 0.885 403 E CA -1.178 55.192 56.400 -0.050 0.000 0.767 403 E CB 3.376 33.104 29.700 0.047 0.000 1.220 403 E HN 0.174 nan 8.360 nan 0.000 0.427 404 V N 3.828 123.714 119.914 -0.047 0.000 2.508 404 V HA -0.018 4.102 4.120 0.000 0.000 0.281 404 V C 1.231 177.426 176.094 0.168 0.000 1.041 404 V CA 0.003 62.391 62.300 0.147 0.000 1.016 404 V CB 0.483 32.316 31.823 0.016 0.000 0.984 404 V HN 0.696 nan 8.190 nan 0.000 0.478 405 I N 3.124 123.824 120.570 0.218 0.000 2.400 405 I HA 0.237 4.408 4.170 0.000 0.000 0.248 405 I C 1.142 177.385 176.117 0.210 0.000 1.109 405 I CA 1.194 62.618 61.300 0.208 0.000 1.425 405 I CB -0.881 37.189 38.000 0.116 0.000 1.094 405 I HN 0.777 nan 8.210 nan 0.000 0.425 406 G N 0.349 109.273 108.800 0.207 0.000 2.616 406 G HA2 0.521 4.481 3.960 0.000 0.000 0.294 406 G HA3 0.521 4.481 3.960 0.000 0.000 0.294 406 G C -1.285 173.724 174.900 0.182 0.000 1.489 406 G CA -0.579 44.641 45.100 0.200 0.000 0.836 406 G HN -0.047 nan 8.290 nan 0.000 0.527 407 I N 1.495 122.132 120.570 0.111 0.000 2.342 407 I HA 0.274 4.445 4.170 0.000 0.000 0.291 407 I C 0.631 176.691 176.117 -0.094 0.000 1.010 407 I CA -0.549 60.709 61.300 -0.070 0.000 1.308 407 I CB 1.755 39.521 38.000 -0.390 0.000 1.400 407 I HN 0.506 nan 8.210 nan 0.000 0.488 408 E N 4.761 124.943 120.200 -0.030 0.000 2.330 408 E HA 0.352 4.702 4.350 0.000 0.000 0.200 408 E C 0.100 176.617 176.600 -0.138 0.000 0.922 408 E CA 0.207 56.623 56.400 0.028 0.000 0.935 408 E CB 0.966 30.764 29.700 0.163 0.000 0.917 408 E HN 0.675 nan 8.360 nan 0.000 0.491 409 A N 0.538 123.199 122.820 -0.264 0.000 2.612 409 A HA 0.665 4.985 4.320 0.000 0.000 0.293 409 A C -1.766 175.729 177.584 -0.147 0.000 1.075 409 A CA -0.579 51.251 52.037 -0.345 0.000 0.680 409 A CB 1.259 19.646 19.000 -1.022 0.000 1.279 409 A HN 0.073 nan 8.150 nan 0.000 0.411 410 L N 2.301 123.486 121.223 -0.062 0.000 2.446 410 L HA 0.583 4.923 4.340 0.000 0.000 0.268 410 L C 0.223 177.126 176.870 0.056 0.000 0.975 410 L CA -0.215 54.625 54.840 0.001 0.000 0.848 410 L CB 1.992 44.087 42.059 0.061 0.000 1.225 410 L HN 1.140 nan 8.230 nan 0.000 0.410 411 T N -0.915 113.688 114.554 0.081 0.000 2.910 411 T HA 0.206 4.556 4.350 0.000 0.000 0.279 411 T C 1.312 176.060 174.700 0.080 0.000 0.989 411 T CA 0.081 62.245 62.100 0.107 0.000 0.968 411 T CB 1.617 70.589 68.868 0.174 0.000 1.135 411 T HN 0.591 nan 8.240 nan 0.000 0.562 412 S N -0.015 115.733 115.700 0.080 0.000 2.442 412 S HA -0.094 4.376 4.470 0.000 0.000 0.236 412 S C 0.673 175.274 174.600 0.002 0.000 1.007 412 S CA 1.354 59.590 58.200 0.060 0.000 0.965 412 S CB -0.772 62.464 63.200 0.059 0.000 0.773 412 S HN 0.938 nan 8.310 nan 0.000 0.504 413 D N -1.898 118.474 120.400 -0.047 0.000 2.651 413 D HA 0.256 4.896 4.640 0.000 0.000 0.280 413 D C -0.662 175.346 176.300 -0.486 0.000 1.496 413 D CA -0.483 53.383 54.000 -0.222 0.000 0.792 413 D CB -0.665 39.985 40.800 -0.249 0.000 1.144 413 D HN 0.499 nan 8.370 nan 0.000 0.470 414 Y N 0.069 120.298 120.300 -0.117 0.000 2.479 414 Y HA 0.434 4.984 4.550 -0.000 0.000 0.338 414 Y C -1.279 174.418 175.900 -0.338 0.000 1.055 414 Y CA -1.248 56.692 58.100 -0.267 0.000 1.023 414 Y CB 2.594 40.837 38.460 -0.360 0.000 1.287 414 Y HN -0.026 nan 8.280 nan 0.000 0.447 415 L N 4.571 125.659 121.223 -0.225 0.000 2.319 415 L HA 0.576 4.916 4.340 0.000 0.000 0.281 415 L C -1.680 175.040 176.870 -0.249 0.000 1.005 415 L CA -0.550 54.131 54.840 -0.265 0.000 0.828 415 L CB 0.581 42.408 42.059 -0.386 0.000 1.227 415 L HN 0.591 nan 8.230 nan 0.000 0.415 416 Y N 5.020 125.248 120.300 -0.119 0.000 2.308 416 Y HA 0.494 5.044 4.550 0.000 0.000 0.329 416 Y C -0.234 175.673 175.900 0.011 0.000 1.111 416 Y CA -0.161 57.875 58.100 -0.108 0.000 1.179 416 Y CB 1.034 39.324 38.460 -0.283 0.000 1.201 416 Y HN 0.553 nan 8.280 nan 0.000 0.483 417 Y N 0.571 120.926 120.300 0.091 0.000 2.655 417 Y HA 0.798 5.348 4.550 -0.000 0.000 0.336 417 Y C -1.882 174.103 175.900 0.141 0.000 1.154 417 Y CA -1.830 56.316 58.100 0.077 0.000 1.055 417 Y CB 1.246 39.728 38.460 0.036 0.000 1.295 417 Y HN 0.294 nan 8.280 nan 0.000 0.465 418 I N 3.141 123.859 120.570 0.248 0.000 2.433 418 I HA 0.580 4.750 4.170 0.000 0.000 0.292 418 I C -0.486 175.793 176.117 0.269 0.000 1.001 418 I CA -0.452 60.938 61.300 0.151 0.000 1.119 418 I CB 1.713 39.773 38.000 0.100 0.000 1.289 418 I HN 0.889 nan 8.210 nan 0.000 0.438 419 S N 3.791 119.622 115.700 0.217 0.000 2.651 419 S HA 0.463 4.933 4.470 0.000 0.000 0.279 419 S C -0.340 174.316 174.600 0.093 0.000 1.148 419 S CA -0.803 57.525 58.200 0.213 0.000 0.837 419 S CB 2.054 65.421 63.200 0.277 0.000 1.138 419 S HN 0.624 nan 8.310 nan 0.000 0.478 420 N N -0.405 118.348 118.700 0.089 0.000 2.453 420 N HA 0.158 4.898 4.740 0.000 0.000 0.270 420 N C 0.381 175.870 175.510 -0.035 0.000 1.195 420 N CA -0.390 52.668 53.050 0.014 0.000 0.902 420 N CB 0.370 38.859 38.487 0.004 0.000 1.186 420 N HN 0.826 nan 8.380 nan 0.000 0.510 421 E N -0.228 119.828 120.200 -0.241 0.000 2.076 421 E HA -0.127 4.223 4.350 0.000 0.000 0.190 421 E C -0.355 176.092 176.600 -0.255 0.000 0.979 421 E CA -0.034 55.992 56.400 -0.623 0.000 0.807 421 E CB -0.048 28.704 29.700 -1.580 0.000 0.761 421 E HN 0.382 nan 8.360 nan 0.000 0.454 422 Y N 2.317 122.523 120.300 -0.156 0.000 2.895 422 Y HA -0.185 4.365 4.550 -0.000 0.000 0.334 422 Y C 0.396 176.255 175.900 -0.069 0.000 1.261 422 Y CA 1.076 59.133 58.100 -0.072 0.000 1.560 422 Y CB 0.173 38.614 38.460 -0.032 0.000 1.253 422 Y HN 0.085 nan 8.280 nan 0.000 0.582 423 K N 3.569 123.642 120.400 -0.545 0.000 2.971 423 K HA -0.270 4.050 4.320 0.000 0.000 0.265 423 K C 0.889 177.411 176.600 -0.130 0.000 1.052 423 K CA 0.844 56.903 56.287 -0.380 0.000 0.780 423 K CB -1.789 30.448 32.500 -0.438 0.000 1.214 423 K HN 1.278 nan 8.250 nan 0.000 0.478 424 G N 0.946 109.683 108.800 -0.105 0.000 2.258 424 G HA2 -0.343 3.617 3.960 0.000 0.000 0.274 424 G HA3 -0.343 3.617 3.960 0.000 0.000 0.274 424 G C 0.054 174.944 174.900 -0.017 0.000 1.021 424 G CA 0.985 46.072 45.100 -0.022 0.000 0.798 424 G HN 0.493 nan 8.290 nan 0.000 0.507 425 M N -1.807 117.716 119.600 -0.128 0.000 2.149 425 M HA 0.528 5.008 4.480 0.000 0.000 0.342 425 M C -1.969 174.094 176.300 -0.395 0.000 1.068 425 M CA -2.378 52.674 55.300 -0.413 0.000 0.991 425 M CB 2.005 34.353 32.600 -0.419 0.000 1.596 425 M HN -0.135 nan 8.290 nan 0.000 0.439 426 P HA 0.038 nan 4.420 nan 0.000 0.222 426 P C 1.433 178.584 177.300 -0.249 0.000 1.153 426 P CA 1.097 64.024 63.100 -0.289 0.000 0.798 426 P CB 0.096 31.634 31.700 -0.270 0.000 0.796 427 G N -0.723 107.864 108.800 -0.354 0.000 2.848 427 G HA2 0.177 4.137 3.960 0.000 0.000 0.208 427 G HA3 0.177 4.137 3.960 0.000 0.000 0.208 427 G C 0.732 175.636 174.900 0.007 0.000 1.152 427 G CA 0.237 45.256 45.100 -0.135 0.000 0.789 427 G HN 0.411 nan 8.290 nan 0.000 0.531 428 G N -0.726 108.026 108.800 -0.080 0.000 2.471 428 G HA2 0.651 4.611 3.960 0.000 0.000 0.332 428 G HA3 0.651 4.611 3.960 0.000 0.000 0.332 428 G C -1.018 173.771 174.900 -0.186 0.000 1.176 428 G CA -0.985 44.092 45.100 -0.038 0.000 0.949 428 G HN 0.213 nan 8.290 nan 0.000 0.488 429 R N 0.258 120.602 120.500 -0.259 0.000 2.522 429 R HA 0.395 4.735 4.340 0.000 0.000 0.283 429 R C -1.265 174.959 176.300 -0.125 0.000 1.074 429 R CA -0.586 55.313 56.100 -0.334 0.000 0.925 429 R CB 1.430 31.206 30.300 -0.874 0.000 1.205 429 R HN 0.584 nan 8.270 nan 0.000 0.436 430 N N 2.659 121.322 118.700 -0.061 0.000 2.329 430 N HA 0.333 5.073 4.740 0.000 0.000 0.282 430 N C -1.723 173.653 175.510 -0.223 0.000 1.198 430 N CA -0.749 52.213 53.050 -0.147 0.000 0.790 430 N CB 2.201 40.507 38.487 -0.302 0.000 1.579 430 N HN 0.275 nan 8.380 nan 0.000 0.475 431 L N 1.798 122.771 121.223 -0.416 0.000 2.371 431 L HA 0.454 4.794 4.340 0.000 0.000 0.272 431 L C -1.329 175.157 176.870 -0.641 0.000 1.124 431 L CA 0.178 54.786 54.840 -0.387 0.000 0.816 431 L CB -0.011 41.829 42.059 -0.366 0.000 1.129 431 L HN 0.435 nan 8.230 nan 0.000 0.448 432 Y N 3.030 123.021 120.300 -0.516 0.000 2.553 432 Y HA 0.537 5.087 4.550 -0.000 0.000 0.347 432 Y C -0.572 175.055 175.900 -0.454 0.000 1.019 432 Y CA -0.901 56.852 58.100 -0.577 0.000 1.032 432 Y CB 1.736 39.609 38.460 -0.978 0.000 1.284 432 Y HN 0.560 nan 8.280 nan 0.000 0.466 433 K N 2.588 122.897 120.400 -0.151 0.000 2.318 433 K HA 0.825 5.145 4.320 0.000 0.000 0.249 433 K C -1.852 174.747 176.600 -0.003 0.000 0.942 433 K CA -0.795 55.347 56.287 -0.242 0.000 0.808 433 K CB 2.896 35.033 32.500 -0.605 0.000 1.189 433 K HN 0.750 nan 8.250 nan 0.000 0.428 434 I N 1.814 122.421 120.570 0.061 0.000 2.466 434 I HA 0.156 4.326 4.170 0.000 0.000 0.289 434 I C -0.887 175.305 176.117 0.125 0.000 1.026 434 I CA -0.721 60.667 61.300 0.146 0.000 1.078 434 I CB 2.103 40.194 38.000 0.151 0.000 1.249 434 I HN 0.852 nan 8.210 nan 0.000 0.429 435 Q N 5.256 125.124 119.800 0.113 0.000 2.286 435 Q HA 0.081 4.421 4.340 0.000 0.000 0.267 435 Q C 0.170 176.106 176.000 -0.107 0.000 1.028 435 Q CA -0.376 55.333 55.803 -0.156 0.000 0.901 435 Q CB 1.178 29.852 28.738 -0.107 0.000 1.183 435 Q HN 0.766 nan 8.270 nan 0.000 0.392 436 L N 3.117 124.207 121.223 -0.221 0.000 2.017 436 L HA -0.195 4.145 4.340 0.000 0.000 0.208 436 L C 2.398 179.179 176.870 -0.148 0.000 1.073 436 L CA 2.228 57.022 54.840 -0.076 0.000 0.745 436 L CB -1.188 40.798 42.059 -0.120 0.000 0.894 436 L HN 0.841 nan 8.230 nan 0.000 0.432 437 S N -1.888 113.683 115.700 -0.215 0.000 2.442 437 S HA -0.115 4.355 4.470 0.000 0.000 0.236 437 S C 0.769 175.202 174.600 -0.277 0.000 1.007 437 S CA 0.853 58.912 58.200 -0.234 0.000 0.965 437 S CB -0.216 62.876 63.200 -0.179 0.000 0.773 437 S HN 0.466 nan 8.310 nan 0.000 0.504 438 D N -0.381 119.885 120.400 -0.223 0.000 2.386 438 D HA 0.242 4.882 4.640 0.000 0.000 0.247 438 D C -0.493 175.797 176.300 -0.015 0.000 1.336 438 D CA -0.708 53.191 54.000 -0.169 0.000 0.976 438 D CB 0.468 41.212 40.800 -0.093 0.000 1.257 438 D HN -0.003 nan 8.370 nan 0.000 0.570 439 Y N 1.176 121.449 120.300 -0.045 0.000 2.574 439 Y HA -0.068 4.482 4.550 0.000 0.000 0.294 439 Y C 2.416 178.316 175.900 -0.000 0.000 1.142 439 Y CA 1.224 59.307 58.100 -0.028 0.000 1.314 439 Y CB -0.656 37.785 38.460 -0.031 0.000 0.991 439 Y HN 0.411 nan 8.280 nan 0.000 0.555 440 T N -3.415 111.222 114.554 0.138 0.000 3.107 440 T HA 0.067 4.417 4.350 0.000 0.000 0.249 440 T C 0.694 175.445 174.700 0.085 0.000 1.096 440 T CA -0.110 62.047 62.100 0.095 0.000 1.012 440 T CB -0.043 68.859 68.868 0.058 0.000 0.977 440 T HN -0.118 nan 8.240 nan 0.000 0.527 441 K N 2.645 123.100 120.400 0.091 0.000 2.363 441 K HA 0.405 4.725 4.320 0.000 0.000 0.240 441 K C -0.797 175.876 176.600 0.121 0.000 1.169 441 K CA -0.208 56.132 56.287 0.089 0.000 1.131 441 K CB 0.743 33.286 32.500 0.070 0.000 1.771 441 K HN 0.242 nan 8.250 nan 0.000 0.380 442 V N 1.706 121.694 119.914 0.124 0.000 2.407 442 V HA 0.266 4.386 4.120 0.000 0.000 0.278 442 V C 0.342 176.511 176.094 0.124 0.000 1.037 442 V CA -0.453 61.938 62.300 0.152 0.000 0.900 442 V CB 1.602 33.533 31.823 0.181 0.000 0.983 442 V HN 0.409 nan 8.190 nan 0.000 0.459 443 T N 3.474 118.083 114.554 0.092 0.000 2.829 443 T HA 0.273 4.623 4.350 0.000 0.000 0.280 443 T C -0.439 174.231 174.700 -0.051 0.000 0.999 443 T CA -0.316 61.794 62.100 0.015 0.000 0.983 443 T CB 1.416 70.259 68.868 -0.041 0.000 0.968 443 T HN 0.776 nan 8.240 nan 0.000 0.446 444 C N 4.521 123.732 119.300 -0.148 0.000 2.325 444 C HA 0.444 4.904 4.460 0.000 0.000 0.347 444 C C 1.341 176.076 174.990 -0.425 0.000 1.263 444 C CA -0.557 58.173 59.018 -0.480 0.000 1.806 444 C CB -1.628 25.816 27.740 -0.493 0.000 2.405 444 C HN 0.893 nan 8.230 nan 0.000 0.537 445 L N 4.761 125.684 121.223 -0.499 0.000 2.558 445 L HA 0.144 4.484 4.340 0.000 0.000 0.225 445 L C 2.127 178.720 176.870 -0.462 0.000 1.128 445 L CA 1.403 56.012 54.840 -0.385 0.000 0.868 445 L CB 0.123 41.978 42.059 -0.340 0.000 1.006 445 L HN 0.905 nan 8.230 nan 0.000 0.454 446 S N -4.852 110.474 115.700 -0.623 0.000 2.744 446 S HA 0.018 4.488 4.470 0.000 0.000 0.265 446 S C 1.647 175.864 174.600 -0.638 0.000 1.065 446 S CA -0.011 57.709 58.200 -0.801 0.000 1.191 446 S CB -0.643 61.745 63.200 -1.352 0.000 1.150 446 S HN 0.216 nan 8.310 nan 0.000 0.646 447 C N 2.119 121.051 119.300 -0.613 0.000 2.440 447 C HA 0.170 4.630 4.460 0.000 0.000 0.278 447 C C 2.096 176.795 174.990 -0.484 0.000 1.295 447 C CA 0.999 59.559 59.018 -0.762 0.000 1.738 447 C CB -0.987 26.133 27.740 -1.033 0.000 1.987 447 C HN 0.700 nan 8.230 nan 0.000 0.492 448 E N 0.105 120.129 120.200 -0.293 0.000 2.501 448 E HA 0.190 4.540 4.350 0.000 0.000 0.201 448 E C 1.648 178.199 176.600 -0.081 0.000 1.016 448 E CA -0.214 56.107 56.400 -0.132 0.000 0.920 448 E CB 0.094 29.746 29.700 -0.079 0.000 1.023 448 E HN 0.552 nan 8.360 nan 0.000 0.474 449 L N 0.706 121.870 121.223 -0.097 0.000 2.187 449 L HA -0.075 4.265 4.340 0.000 0.000 0.213 449 L C 0.887 177.764 176.870 0.012 0.000 1.100 449 L CA 0.889 55.710 54.840 -0.033 0.000 0.765 449 L CB -0.012 42.034 42.059 -0.022 0.000 0.904 449 L HN 0.210 nan 8.230 nan 0.000 0.437 450 N N -1.772 116.944 118.700 0.025 0.000 3.286 450 N HA 0.057 4.797 4.740 0.000 0.000 0.169 450 N C -2.294 173.231 175.510 0.024 0.000 1.375 450 N CA -0.496 52.569 53.050 0.025 0.000 1.093 450 N CB 0.473 38.977 38.487 0.029 0.000 1.659 450 N HN -0.197 nan 8.380 nan 0.000 0.629 451 P HA 0.021 nan 4.420 nan 0.000 0.226 451 P C 0.735 178.066 177.300 0.052 0.000 1.153 451 P CA 1.049 64.178 63.100 0.048 0.000 0.777 451 P CB 0.550 32.298 31.700 0.080 0.000 0.794 452 E N -0.723 119.494 120.200 0.027 0.000 2.140 452 E HA -0.022 4.328 4.350 0.000 0.000 0.191 452 E C 2.139 178.734 176.600 -0.008 0.000 0.973 452 E CA 0.408 56.819 56.400 0.017 0.000 0.829 452 E CB -0.144 29.561 29.700 0.008 0.000 0.781 452 E HN 0.170 nan 8.360 nan 0.000 0.466 453 R N 0.064 120.546 120.500 -0.030 0.000 2.140 453 R HA 0.088 4.428 4.340 0.000 0.000 0.213 453 R C -0.006 176.236 176.300 -0.098 0.000 1.059 453 R CA 0.503 56.561 56.100 -0.069 0.000 1.000 453 R CB 0.415 30.666 30.300 -0.081 0.000 0.910 453 R HN 0.049 nan 8.270 nan 0.000 0.455 454 c N 0.888 119.434 118.600 -0.091 0.000 2.321 454 c HA 0.396 4.966 4.570 0.000 0.000 0.323 454 c C -0.114 173.892 174.090 -0.139 0.000 1.191 454 c CA -0.609 55.598 56.329 -0.203 0.000 1.455 454 c CB 1.206 43.596 42.510 -0.199 0.000 2.083 454 c HN 0.521 nan 8.230 nan 0.000 0.442 455 Q N 0.694 120.409 119.800 -0.141 0.000 2.064 455 Q HA 0.205 4.545 4.340 0.000 0.000 0.213 455 Q C -0.927 175.075 176.000 0.004 0.000 0.779 455 Q CA 0.063 55.857 55.803 -0.015 0.000 1.032 455 Q CB 1.161 29.938 28.738 0.065 0.000 1.203 455 Q HN 0.793 nan 8.270 nan 0.000 0.457 456 Y N 0.477 120.610 120.300 -0.278 0.000 2.609 456 Y HA 0.340 4.890 4.550 0.000 0.000 0.350 456 Y C -1.516 174.224 175.900 -0.267 0.000 1.050 456 Y CA -0.989 56.996 58.100 -0.191 0.000 1.290 456 Y CB 0.561 38.936 38.460 -0.141 0.000 1.094 456 Y HN -0.031 nan 8.280 nan 0.000 0.583 457 Y N 1.793 122.007 120.300 -0.144 0.000 2.352 457 Y HA 0.630 5.180 4.550 0.000 0.000 0.326 457 Y C 0.489 176.326 175.900 -0.105 0.000 1.166 457 Y CA -0.301 57.732 58.100 -0.111 0.000 1.182 457 Y CB 1.872 40.239 38.460 -0.156 0.000 1.216 457 Y HN 0.475 nan 8.280 nan 0.000 0.474 458 S N 0.708 116.491 115.700 0.139 0.000 2.661 458 S HA 0.845 5.315 4.470 0.000 0.000 0.285 458 S C -1.569 173.101 174.600 0.117 0.000 1.138 458 S CA -0.881 57.385 58.200 0.110 0.000 0.855 458 S CB 1.854 65.130 63.200 0.127 0.000 1.136 458 S HN 0.559 nan 8.310 nan 0.000 0.484 459 V N 0.592 120.578 119.914 0.121 0.000 2.971 459 V HA 0.833 4.953 4.120 0.000 0.000 0.309 459 V C -1.144 175.046 176.094 0.160 0.000 1.130 459 V CA -0.243 62.112 62.300 0.092 0.000 0.964 459 V CB 2.257 34.079 31.823 -0.003 0.000 1.029 459 V HN 1.213 nan 8.190 nan 0.000 0.427 460 S N 5.798 121.587 115.700 0.149 0.000 2.640 460 S HA 0.689 5.160 4.470 0.000 0.000 0.320 460 S C -1.070 173.702 174.600 0.287 0.000 1.097 460 S CA -0.378 57.999 58.200 0.294 0.000 1.092 460 S CB 0.464 63.870 63.200 0.342 0.000 0.988 460 S HN 0.489 nan 8.310 nan 0.000 0.470 461 F N 2.932 122.971 119.950 0.147 0.000 2.378 461 F HA 0.485 5.012 4.527 -0.000 0.000 0.325 461 F C 1.346 176.756 175.800 -0.650 0.000 1.097 461 F CA -0.134 57.793 58.000 -0.122 0.000 1.079 461 F CB 1.537 40.443 39.000 -0.156 0.000 1.240 461 F HN 0.689 nan 8.300 nan 0.000 0.519 462 S N 1.680 116.855 115.700 -0.875 0.000 2.641 462 S HA 0.187 4.657 4.470 0.000 0.000 0.261 462 S C 1.221 175.580 174.600 -0.402 0.000 1.257 462 S CA -0.546 56.855 58.200 -1.331 0.000 0.983 462 S CB 0.841 63.371 63.200 -1.116 0.000 0.990 462 S HN 0.700 nan 8.310 nan 0.000 0.572 463 K N 0.259 120.529 120.400 -0.215 0.000 2.113 463 K HA -0.101 4.220 4.320 0.000 0.000 0.208 463 K C 0.761 177.357 176.600 -0.006 0.000 1.047 463 K CA 1.811 58.078 56.287 -0.032 0.000 0.928 463 K CB -0.199 32.313 32.500 0.020 0.000 0.716 463 K HN 0.699 nan 8.250 nan 0.000 0.446 464 E N -1.177 119.017 120.200 -0.011 0.000 3.157 464 E HA 0.219 4.569 4.350 0.000 0.000 0.203 464 E C -0.810 175.794 176.600 0.008 0.000 0.982 464 E CA -0.018 56.393 56.400 0.018 0.000 1.217 464 E CB 1.084 30.811 29.700 0.045 0.000 1.123 464 E HN 0.280 nan 8.360 nan 0.000 0.457 465 A N 1.157 123.971 122.820 -0.010 0.000 2.822 465 A HA -0.307 4.013 4.320 0.000 0.000 0.287 465 A C 1.345 178.950 177.584 0.034 0.000 1.479 465 A CA 1.182 53.245 52.037 0.044 0.000 0.779 465 A CB -1.412 17.516 19.000 -0.121 0.000 1.022 465 A HN 0.328 nan 8.150 nan 0.000 0.532 466 K N -2.147 118.238 120.400 -0.026 0.000 2.243 466 K HA 0.147 4.467 4.320 0.000 0.000 0.201 466 K C 0.084 176.410 176.600 -0.457 0.000 1.051 466 K CA 1.253 57.438 56.287 -0.170 0.000 0.970 466 K CB 0.138 32.595 32.500 -0.071 0.000 0.755 466 K HN 0.730 nan 8.250 nan 0.000 0.465 467 Y N -0.954 119.296 120.300 -0.085 0.000 2.638 467 Y HA 0.302 4.852 4.550 0.000 0.000 0.339 467 Y C -0.859 174.968 175.900 -0.123 0.000 1.084 467 Y CA -1.523 56.521 58.100 -0.093 0.000 1.068 467 Y CB 1.717 40.142 38.460 -0.058 0.000 1.294 467 Y HN -0.046 nan 8.280 nan 0.000 0.480 468 Y N -1.103 119.159 120.300 -0.064 0.000 2.521 468 Y HA 0.463 5.013 4.550 -0.000 0.000 0.332 468 Y C -1.467 174.410 175.900 -0.038 0.000 1.121 468 Y CA -1.374 56.522 58.100 -0.341 0.000 1.037 468 Y CB 1.334 39.058 38.460 -1.228 0.000 1.330 468 Y HN 0.592 nan 8.280 nan 0.000 0.452 469 Q N 4.079 123.976 119.800 0.162 0.000 2.290 469 Q HA 0.589 4.929 4.340 0.000 0.000 0.259 469 Q C -1.665 174.398 176.000 0.105 0.000 0.941 469 Q CA -0.753 55.121 55.803 0.119 0.000 0.912 469 Q CB 1.328 30.120 28.738 0.091 0.000 1.244 469 Q HN 0.947 nan 8.270 nan 0.000 0.441 470 L N 3.689 124.980 121.223 0.114 0.000 2.307 470 L HA 0.525 4.865 4.340 0.000 0.000 0.282 470 L C -0.497 176.445 176.870 0.119 0.000 1.051 470 L CA -0.830 54.085 54.840 0.125 0.000 0.804 470 L CB 1.293 43.423 42.059 0.119 0.000 1.197 470 L HN 0.532 nan 8.230 nan 0.000 0.431 471 R N 1.792 122.340 120.500 0.081 0.000 2.343 471 R HA 0.378 4.718 4.340 0.000 0.000 0.320 471 R C -0.948 175.244 176.300 -0.180 0.000 0.956 471 R CA -0.318 55.687 56.100 -0.159 0.000 0.836 471 R CB 1.434 31.690 30.300 -0.073 0.000 1.151 471 R HN 0.598 nan 8.270 nan 0.000 0.450 472 c N 2.634 120.998 118.600 -0.394 0.000 2.298 472 c HA 0.595 5.165 4.570 0.000 0.000 0.323 472 c C 0.804 174.673 174.090 -0.369 0.000 1.284 472 c CA -0.306 55.705 56.329 -0.530 0.000 1.577 472 c CB 0.273 42.414 42.510 -0.614 0.000 2.249 472 c HN 0.966 nan 8.230 nan 0.000 0.497 473 S N 3.473 119.040 115.700 -0.221 0.000 2.730 473 S HA 0.623 5.093 4.470 0.000 0.000 0.244 473 S C 0.341 174.894 174.600 -0.079 0.000 1.022 473 S CA 0.205 58.331 58.200 -0.124 0.000 1.014 473 S CB 0.265 63.427 63.200 -0.064 0.000 0.963 473 S HN 1.796 nan 8.310 nan 0.000 0.540 474 G N 1.678 110.418 108.800 -0.100 0.000 2.355 474 G HA2 0.457 4.417 3.960 0.000 0.000 0.296 474 G HA3 0.457 4.417 3.960 0.000 0.000 0.296 474 G C -3.221 171.646 174.900 -0.056 0.000 1.507 474 G CA -0.804 44.271 45.100 -0.042 0.000 0.823 474 G HN -0.124 nan 8.290 nan 0.000 0.569 475 P HA 0.181 nan 4.420 nan 0.000 0.251 475 P C 1.234 178.537 177.300 0.005 0.000 1.223 475 P CA 0.763 63.880 63.100 0.029 0.000 0.796 475 P CB 0.747 32.465 31.700 0.030 0.000 1.068 476 G N 0.590 109.324 108.800 -0.110 0.000 2.588 476 G HA2 0.375 4.335 3.960 0.000 0.000 0.281 476 G HA3 0.375 4.335 3.960 0.000 0.000 0.281 476 G C -0.199 174.443 174.900 -0.429 0.000 1.236 476 G CA -0.702 44.254 45.100 -0.240 0.000 0.969 476 G HN 0.016 nan 8.290 nan 0.000 0.504 477 L N 1.238 122.125 121.223 -0.559 0.000 2.490 477 L HA 0.118 4.458 4.340 0.000 0.000 0.274 477 L C -1.800 174.902 176.870 -0.280 0.000 1.201 477 L CA -1.204 53.297 54.840 -0.565 0.000 0.869 477 L CB 0.431 42.245 42.059 -0.408 0.000 1.123 477 L HN 0.253 nan 8.230 nan 0.000 0.484 478 P HA 0.003 nan 4.420 nan 0.000 0.266 478 P C -0.846 176.353 177.300 -0.169 0.000 1.186 478 P CA 0.104 63.097 63.100 -0.178 0.000 0.767 478 P CB 0.503 32.163 31.700 -0.067 0.000 0.820 479 L N 4.536 125.563 121.223 -0.327 0.000 2.528 479 L HA 0.448 4.788 4.340 0.000 0.000 0.267 479 L C -1.925 174.778 176.870 -0.278 0.000 0.961 479 L CA -0.580 54.151 54.840 -0.181 0.000 0.866 479 L CB 0.934 42.913 42.059 -0.134 0.000 1.248 479 L HN 0.195 nan 8.230 nan 0.000 0.404 480 Y N 2.947 123.203 120.300 -0.073 0.000 2.335 480 Y HA 0.779 5.329 4.550 0.000 0.000 0.338 480 Y C 0.756 176.565 175.900 -0.152 0.000 0.977 480 Y CA -0.378 57.665 58.100 -0.095 0.000 1.114 480 Y CB 2.015 40.386 38.460 -0.148 0.000 1.182 480 Y HN 0.710 nan 8.280 nan 0.000 0.463 481 T N 0.944 115.523 114.554 0.041 0.000 2.858 481 T HA 0.768 5.118 4.350 0.000 0.000 0.285 481 T C -1.392 173.276 174.700 -0.054 0.000 1.052 481 T CA -0.959 61.112 62.100 -0.048 0.000 1.009 481 T CB 2.011 70.880 68.868 0.002 0.000 1.241 481 T HN 0.528 nan 8.240 nan 0.000 0.542 482 L N 1.056 122.158 121.223 -0.201 0.000 2.445 482 L HA 0.624 4.964 4.340 0.000 0.000 0.262 482 L C -1.711 174.932 176.870 -0.380 0.000 0.974 482 L CA -0.572 54.185 54.840 -0.137 0.000 0.822 482 L CB 2.139 44.128 42.059 -0.117 0.000 1.339 482 L HN 0.988 nan 8.230 nan 0.000 0.409 483 H N 0.339 119.180 119.070 -0.382 0.000 2.985 483 H HA 0.494 5.050 4.556 0.000 0.000 0.360 483 H C -0.462 174.650 175.328 -0.360 0.000 1.221 483 H CA -0.586 55.158 56.048 -0.508 0.000 1.121 483 H CB 2.009 31.128 29.762 -1.071 0.000 1.854 483 H HN 0.474 nan 8.280 nan 0.000 0.551 484 S N -0.075 115.558 115.700 -0.111 0.000 2.489 484 S HA 0.311 4.781 4.470 0.000 0.000 0.291 484 S C 0.269 174.812 174.600 -0.096 0.000 1.151 484 S CA -0.546 57.532 58.200 -0.204 0.000 1.082 484 S CB 1.578 64.664 63.200 -0.190 0.000 1.019 484 S HN 0.548 nan 8.310 nan 0.000 0.492 485 S N 2.465 118.117 115.700 -0.080 0.000 2.414 485 S HA -0.084 4.386 4.470 0.000 0.000 0.227 485 S C 1.993 176.612 174.600 0.031 0.000 1.022 485 S CA 0.735 59.003 58.200 0.112 0.000 0.958 485 S CB -0.528 62.725 63.200 0.089 0.000 0.797 485 S HN 0.772 nan 8.310 nan 0.000 0.493 486 V N 2.835 122.720 119.914 -0.049 0.000 2.313 486 V HA -0.263 3.857 4.120 0.000 0.000 0.253 486 V C 1.455 177.546 176.094 -0.004 0.000 1.070 486 V CA 2.137 64.423 62.300 -0.024 0.000 1.057 486 V CB -0.414 31.377 31.823 -0.054 0.000 0.653 486 V HN 0.424 nan 8.190 nan 0.000 0.450 487 N N -1.445 117.251 118.700 -0.008 0.000 2.348 487 N HA 0.083 4.823 4.740 0.000 0.000 0.183 487 N C 0.303 175.825 175.510 0.020 0.000 1.094 487 N CA 0.809 53.861 53.050 0.004 0.000 0.885 487 N CB 0.240 38.725 38.487 -0.002 0.000 1.065 487 N HN 0.513 nan 8.380 nan 0.000 0.472 488 D N 0.514 120.949 120.400 0.058 0.000 2.800 488 D HA -0.172 4.468 4.640 0.000 0.000 0.232 488 D C -0.141 176.214 176.300 0.091 0.000 1.137 488 D CA 0.774 54.845 54.000 0.117 0.000 0.718 488 D CB -1.036 39.805 40.800 0.068 0.000 1.084 488 D HN 0.277 nan 8.370 nan 0.000 0.432 489 K N 0.766 121.192 120.400 0.044 0.000 2.248 489 K HA 0.432 4.752 4.320 0.000 0.000 0.281 489 K C 0.612 177.182 176.600 -0.050 0.000 1.054 489 K CA -0.240 56.050 56.287 0.006 0.000 0.903 489 K CB 0.979 33.469 32.500 -0.016 0.000 1.077 489 K HN 0.121 nan 8.250 nan 0.000 0.474 490 G N 4.948 113.685 108.800 -0.105 0.000 2.356 490 G HA2 0.135 4.095 3.960 0.000 0.000 0.273 490 G HA3 0.135 4.095 3.960 0.000 0.000 0.273 490 G C 0.871 175.595 174.900 -0.293 0.000 1.213 490 G CA -0.324 44.532 45.100 -0.407 0.000 0.955 490 G HN 0.634 nan 8.290 nan 0.000 0.454 491 L N 2.285 123.319 121.223 -0.315 0.000 2.046 491 L HA 0.299 4.639 4.340 0.000 0.000 0.203 491 L C 1.787 178.568 176.870 -0.149 0.000 1.111 491 L CA 0.780 55.524 54.840 -0.160 0.000 0.769 491 L CB -0.282 41.724 42.059 -0.088 0.000 0.914 491 L HN 0.641 nan 8.230 nan 0.000 0.448 492 R N -0.712 119.689 120.500 -0.164 0.000 2.888 492 R HA 0.574 4.915 4.340 0.000 0.000 0.264 492 R C -1.347 174.851 176.300 -0.169 0.000 1.045 492 R CA -0.770 55.251 56.100 -0.131 0.000 0.962 492 R CB 1.700 31.954 30.300 -0.076 0.000 1.210 492 R HN -0.143 nan 8.270 nan 0.000 0.479 493 V N 2.779 122.612 119.914 -0.135 0.000 2.432 493 V HA 0.155 4.275 4.120 0.000 0.000 0.275 493 V C 1.186 177.163 176.094 -0.196 0.000 1.043 493 V CA -0.351 61.865 62.300 -0.141 0.000 0.925 493 V CB 1.259 33.028 31.823 -0.091 0.000 0.985 493 V HN 0.682 nan 8.190 nan 0.000 0.466 494 L N 2.939 123.978 121.223 -0.308 0.000 2.168 494 L HA 0.294 4.634 4.340 0.000 0.000 0.203 494 L C 0.708 177.260 176.870 -0.530 0.000 1.078 494 L CA 0.681 55.139 54.840 -0.636 0.000 0.780 494 L CB 0.234 41.603 42.059 -1.150 0.000 0.939 494 L HN 0.696 nan 8.230 nan 0.000 0.451 495 E N -0.411 119.638 120.200 -0.252 0.000 2.378 495 E HA 0.121 4.471 4.350 0.000 0.000 0.283 495 E C -1.418 175.226 176.600 0.073 0.000 0.979 495 E CA -0.361 56.003 56.400 -0.060 0.000 0.795 495 E CB 1.306 30.972 29.700 -0.056 0.000 1.221 495 E HN 0.127 nan 8.360 nan 0.000 0.428 496 D N 2.670 123.102 120.400 0.052 0.000 2.538 496 D HA 0.136 4.776 4.640 0.000 0.000 0.241 496 D C -0.411 175.904 176.300 0.025 0.000 1.297 496 D CA -0.203 53.817 54.000 0.033 0.000 0.804 496 D CB -0.180 40.617 40.800 -0.005 0.000 1.122 496 D HN 0.438 nan 8.370 nan 0.000 0.519 497 N N 0.729 119.462 118.700 0.055 0.000 2.678 497 N HA -0.230 4.510 4.740 0.000 0.000 0.249 497 N C 1.137 176.658 175.510 0.018 0.000 1.119 497 N CA 1.108 54.185 53.050 0.046 0.000 0.718 497 N CB -1.631 36.878 38.487 0.036 0.000 1.060 497 N HN 0.539 nan 8.380 nan 0.000 0.552 498 S N -1.152 114.557 115.700 0.015 0.000 2.399 498 S HA -0.003 4.467 4.470 0.000 0.000 0.231 498 S C 2.127 176.742 174.600 0.026 0.000 1.022 498 S CA 0.950 59.155 58.200 0.009 0.000 0.983 498 S CB -0.198 63.006 63.200 0.007 0.000 0.803 498 S HN 0.532 nan 8.310 nan 0.000 0.480 499 A N 2.500 125.344 122.820 0.041 0.000 1.869 499 A HA -0.095 4.225 4.320 0.000 0.000 0.218 499 A C 2.271 179.898 177.584 0.071 0.000 1.203 499 A CA 1.946 54.016 52.037 0.055 0.000 0.638 499 A CB -1.141 17.897 19.000 0.063 0.000 0.831 499 A HN 0.599 nan 8.150 nan 0.000 0.450 500 L N -0.243 121.027 121.223 0.079 0.000 2.131 500 L HA -0.147 4.193 4.340 0.000 0.000 0.210 500 L C 1.888 178.800 176.870 0.069 0.000 1.092 500 L CA 2.676 57.580 54.840 0.106 0.000 0.759 500 L CB -0.583 41.544 42.059 0.113 0.000 0.903 500 L HN 0.421 nan 8.230 nan 0.000 0.435 501 D N -0.553 119.862 120.400 0.025 0.000 2.144 501 D HA -0.184 4.456 4.640 0.000 0.000 0.199 501 D C 1.944 178.252 176.300 0.014 0.000 0.984 501 D CA 0.931 54.928 54.000 -0.005 0.000 0.834 501 D CB 0.145 40.930 40.800 -0.026 0.000 0.955 501 D HN 0.280 nan 8.370 nan 0.000 0.465 502 K N 0.240 120.660 120.400 0.033 0.000 1.978 502 K HA -0.129 4.191 4.320 0.000 0.000 0.214 502 K C 2.378 179.014 176.600 0.060 0.000 1.049 502 K CA 0.824 57.136 56.287 0.042 0.000 0.939 502 K CB -0.940 31.588 32.500 0.048 0.000 0.721 502 K HN 0.312 nan 8.250 nan 0.000 0.441 503 M N 0.636 120.295 119.600 0.097 0.000 2.192 503 M HA -0.185 4.295 4.480 0.000 0.000 0.259 503 M C 2.157 178.514 176.300 0.094 0.000 1.071 503 M CA 1.449 56.845 55.300 0.159 0.000 1.082 503 M CB -0.311 32.460 32.600 0.285 0.000 1.373 503 M HN 0.066 nan 8.290 nan 0.000 0.408 504 L N -0.534 120.697 121.223 0.013 0.000 2.375 504 L HA -0.125 4.215 4.340 0.000 0.000 0.215 504 L C 2.413 179.256 176.870 -0.044 0.000 1.108 504 L CA 0.515 55.307 54.840 -0.080 0.000 0.830 504 L CB -0.278 41.733 42.059 -0.080 0.000 0.959 504 L HN 0.420 nan 8.230 nan 0.000 0.457 505 Q N -1.029 118.767 119.800 -0.007 0.000 2.378 505 Q HA -0.094 4.247 4.340 0.000 0.000 0.205 505 Q C 1.155 177.168 176.000 0.022 0.000 0.954 505 Q CA 0.778 56.583 55.803 0.004 0.000 0.901 505 Q CB -0.352 28.392 28.738 0.010 0.000 0.981 505 Q HN 0.337 nan 8.270 nan 0.000 0.483 506 N N 0.948 119.669 118.700 0.035 0.000 2.573 506 N HA -0.024 4.716 4.740 0.000 0.000 0.187 506 N C -0.174 175.371 175.510 0.059 0.000 1.107 506 N CA 0.377 53.461 53.050 0.057 0.000 0.918 506 N CB 0.575 39.114 38.487 0.087 0.000 0.966 506 N HN 0.175 nan 8.380 nan 0.000 0.448 507 V N -0.140 119.791 119.914 0.028 0.000 2.876 507 V HA 0.308 4.428 4.120 0.000 0.000 0.312 507 V C -1.232 174.865 176.094 0.005 0.000 1.085 507 V CA -0.891 61.426 62.300 0.028 0.000 0.945 507 V CB 2.023 33.851 31.823 0.008 0.000 1.017 507 V HN 0.021 nan 8.190 nan 0.000 0.428 508 Q N 6.332 126.142 119.800 0.017 0.000 2.534 508 Q HA 0.346 4.686 4.340 0.000 0.000 0.223 508 Q C -0.337 175.625 176.000 -0.063 0.000 1.239 508 Q CA -0.278 55.504 55.803 -0.036 0.000 0.936 508 Q CB 0.634 29.351 28.738 -0.036 0.000 1.457 508 Q HN 0.625 nan 8.270 nan 0.000 0.547 509 M N 2.636 122.189 119.600 -0.079 0.000 2.202 509 M HA 0.388 4.868 4.480 0.000 0.000 0.316 509 M C -2.100 174.124 176.300 -0.126 0.000 1.138 509 M CA -2.454 52.788 55.300 -0.096 0.000 1.151 509 M CB -0.451 32.103 32.600 -0.076 0.000 1.422 509 M HN 0.276 nan 8.290 nan 0.000 0.471 510 P HA 0.404 nan 4.420 nan 0.000 0.284 510 P C -1.110 176.109 177.300 -0.135 0.000 1.287 510 P CA -0.603 62.403 63.100 -0.158 0.000 0.824 510 P CB 0.776 32.364 31.700 -0.187 0.000 1.180 511 S N -1.238 114.373 115.700 -0.148 0.000 2.600 511 S HA 0.620 5.090 4.470 0.000 0.000 0.300 511 S C -0.786 173.727 174.600 -0.144 0.000 1.087 511 S CA -0.836 57.294 58.200 -0.117 0.000 0.965 511 S CB 1.564 64.702 63.200 -0.103 0.000 1.089 511 S HN 0.398 nan 8.310 nan 0.000 0.496 512 K N 1.301 121.640 120.400 -0.100 0.000 2.358 512 K HA 0.354 4.674 4.320 0.000 0.000 0.260 512 K C -0.966 175.585 176.600 -0.082 0.000 0.956 512 K CA -0.531 55.698 56.287 -0.097 0.000 0.834 512 K CB 1.026 33.487 32.500 -0.064 0.000 1.102 512 K HN 0.650 nan 8.250 nan 0.000 0.431 513 K N 4.972 125.310 120.400 -0.104 0.000 2.130 513 K HA 0.377 4.697 4.320 0.000 0.000 0.268 513 K C -1.265 175.290 176.600 -0.076 0.000 0.983 513 K CA -0.628 55.609 56.287 -0.084 0.000 0.893 513 K CB 0.987 33.428 32.500 -0.098 0.000 1.066 513 K HN 0.610 nan 8.250 nan 0.000 0.450 514 L N 3.429 124.615 121.223 -0.062 0.000 2.406 514 L HA 0.376 4.716 4.340 0.000 0.000 0.272 514 L C -1.297 175.550 176.870 -0.039 0.000 0.980 514 L CA -0.239 54.584 54.840 -0.028 0.000 0.831 514 L CB 1.737 43.850 42.059 0.090 0.000 1.253 514 L HN 0.822 nan 8.230 nan 0.000 0.406 515 D N 2.311 122.551 120.400 -0.267 0.000 2.851 515 D HA 0.502 5.142 4.640 0.000 0.000 0.339 515 D C -1.610 174.370 176.300 -0.533 0.000 1.347 515 D CA -0.100 53.671 54.000 -0.381 0.000 0.888 515 D CB 1.506 42.045 40.800 -0.436 0.000 1.431 515 D HN 0.214 nan 8.370 nan 0.000 0.509 516 F N -0.373 119.291 119.950 -0.475 0.000 2.650 516 F HA 0.784 5.311 4.527 -0.000 0.000 0.320 516 F C -0.764 175.142 175.800 0.176 0.000 1.091 516 F CA -1.109 56.725 58.000 -0.277 0.000 0.962 516 F CB 0.792 39.159 39.000 -1.054 0.000 1.363 516 F HN 0.399 nan 8.300 nan 0.000 0.482 517 I N -0.485 120.387 120.570 0.504 0.000 3.170 517 I HA 0.771 4.941 4.170 0.000 0.000 0.312 517 I C -1.521 174.836 176.117 0.401 0.000 1.085 517 I CA -1.335 60.172 61.300 0.345 0.000 0.999 517 I CB 2.499 40.639 38.000 0.235 0.000 1.233 517 I HN 0.635 nan 8.210 nan 0.000 0.467 518 I N 3.023 123.757 120.570 0.273 0.000 2.436 518 I HA 0.461 4.631 4.170 0.000 0.000 0.289 518 I C -1.083 175.160 176.117 0.210 0.000 1.010 518 I CA -0.485 60.951 61.300 0.227 0.000 1.098 518 I CB 1.873 39.972 38.000 0.165 0.000 1.266 518 I HN 0.396 nan 8.210 nan 0.000 0.434 519 L N 5.992 127.387 121.223 0.286 0.000 2.385 519 L HA 0.461 4.801 4.340 0.000 0.000 0.273 519 L C 0.387 177.378 176.870 0.202 0.000 0.990 519 L CA -0.786 54.200 54.840 0.245 0.000 0.821 519 L CB 1.557 43.799 42.059 0.306 0.000 1.279 519 L HN 0.616 nan 8.230 nan 0.000 0.412 520 N N 2.735 121.502 118.700 0.112 0.000 2.714 520 N HA -0.223 4.517 4.740 0.000 0.000 0.252 520 N C -0.276 175.266 175.510 0.053 0.000 1.014 520 N CA 1.107 54.201 53.050 0.073 0.000 0.735 520 N CB -0.389 38.142 38.487 0.074 0.000 0.924 520 N HN 0.841 nan 8.380 nan 0.000 0.540 521 E N -2.574 117.652 120.200 0.043 0.000 2.660 521 E HA -0.235 4.115 4.350 0.000 0.000 0.260 521 E C -0.462 176.118 176.600 -0.034 0.000 1.122 521 E CA 1.509 57.916 56.400 0.011 0.000 0.755 521 E CB -1.534 28.169 29.700 0.005 0.000 1.345 521 E HN 0.632 nan 8.360 nan 0.000 0.421 522 T N -1.084 113.431 114.554 -0.065 0.000 2.863 522 T HA 0.539 4.889 4.350 0.000 0.000 0.285 522 T C -0.149 174.340 174.700 -0.351 0.000 1.009 522 T CA -1.362 60.594 62.100 -0.241 0.000 0.989 522 T CB 1.796 70.445 68.868 -0.364 0.000 1.004 522 T HN 0.172 nan 8.240 nan 0.000 0.455 523 K N 1.669 121.825 120.400 -0.406 0.000 2.205 523 K HA 0.578 4.898 4.320 0.000 0.000 0.279 523 K C -1.289 175.002 176.600 -0.515 0.000 1.027 523 K CA -0.608 55.443 56.287 -0.393 0.000 0.932 523 K CB 0.546 32.598 32.500 -0.747 0.000 1.032 523 K HN 0.478 nan 8.250 nan 0.000 0.466 524 F N 1.690 121.690 119.950 0.085 0.000 2.493 524 F HA 0.327 4.854 4.527 0.000 0.000 0.329 524 F C -0.442 175.465 175.800 0.178 0.000 1.126 524 F CA -0.861 57.215 58.000 0.127 0.000 0.937 524 F CB 1.003 40.088 39.000 0.142 0.000 1.146 524 F HN 0.501 nan 8.300 nan 0.000 0.442 525 W N 3.355 124.818 121.300 0.272 0.000 2.215 525 W HA 0.477 5.137 4.660 -0.000 0.000 0.342 525 W C -0.567 176.181 176.519 0.382 0.000 1.237 525 W CA -0.340 57.191 57.345 0.311 0.000 1.283 525 W CB 0.480 30.044 29.460 0.174 0.000 1.131 525 W HN 0.451 nan 8.180 nan 0.000 0.606 526 Y N -0.834 119.797 120.300 0.552 0.000 2.638 526 Y HA 0.573 5.123 4.550 0.000 0.000 0.335 526 Y C -1.065 175.060 175.900 0.376 0.000 1.155 526 Y CA -1.843 56.569 58.100 0.519 0.000 1.046 526 Y CB 0.936 39.849 38.460 0.755 0.000 1.303 526 Y HN 0.569 nan 8.280 nan 0.000 0.460 527 Q N 2.376 122.405 119.800 0.381 0.000 2.451 527 Q HA 0.826 5.166 4.340 0.000 0.000 0.281 527 Q C -1.801 174.309 176.000 0.183 0.000 1.099 527 Q CA -1.220 54.680 55.803 0.162 0.000 0.806 527 Q CB 3.451 32.257 28.738 0.114 0.000 1.419 527 Q HN 0.853 nan 8.270 nan 0.000 0.427 528 M N 2.139 121.765 119.600 0.043 0.000 2.324 528 M HA 0.436 4.916 4.480 0.000 0.000 0.288 528 M C -1.373 174.850 176.300 -0.128 0.000 1.097 528 M CA -0.859 54.410 55.300 -0.052 0.000 0.928 528 M CB 2.371 34.904 32.600 -0.111 0.000 1.648 528 M HN 0.609 nan 8.290 nan 0.000 0.460 529 I N 4.864 125.349 120.570 -0.141 0.000 2.297 529 I HA 0.398 4.568 4.170 0.000 0.000 0.291 529 I C -0.529 175.426 176.117 -0.269 0.000 1.033 529 I CA -0.326 60.865 61.300 -0.181 0.000 1.253 529 I CB 0.424 38.336 38.000 -0.147 0.000 1.396 529 I HN 0.638 nan 8.210 nan 0.000 0.476 530 L N 8.365 129.382 121.223 -0.343 0.000 2.309 530 L HA 0.461 4.801 4.340 0.000 0.000 0.282 530 L C -2.203 174.466 176.870 -0.334 0.000 1.036 530 L CA -1.800 52.734 54.840 -0.510 0.000 0.806 530 L CB 1.347 42.966 42.059 -0.733 0.000 1.220 530 L HN 0.276 nan 8.230 nan 0.000 0.429 531 P HA 0.095 nan 4.420 nan 0.000 0.269 531 P C -2.480 174.757 177.300 -0.104 0.000 1.215 531 P CA -1.064 61.947 63.100 -0.148 0.000 0.780 531 P CB -0.295 31.379 31.700 -0.043 0.000 0.898 532 P HA -0.084 nan 4.420 nan 0.000 0.268 532 P C -0.093 177.078 177.300 -0.214 0.000 1.208 532 P CA 0.691 63.622 63.100 -0.280 0.000 0.777 532 P CB -0.151 31.292 31.700 -0.429 0.000 0.875 533 H N -1.461 117.641 119.070 0.055 0.000 2.655 533 H HA -0.219 4.337 4.556 0.000 0.000 0.313 533 H C 0.015 175.396 175.328 0.088 0.000 1.141 533 H CA 0.134 56.214 56.048 0.054 0.000 1.138 533 H CB -2.574 27.211 29.762 0.039 0.000 1.446 533 H HN 0.402 nan 8.280 nan 0.000 0.415 534 F N 2.881 122.824 119.950 -0.011 0.000 2.557 534 F HA 0.163 4.690 4.527 -0.000 0.000 0.384 534 F C 0.463 176.260 175.800 -0.006 0.000 1.057 534 F CA -0.663 57.285 58.000 -0.087 0.000 1.169 534 F CB 0.477 39.305 39.000 -0.288 0.000 1.070 534 F HN 0.169 nan 8.300 nan 0.000 0.554 535 D N 6.918 127.058 120.400 -0.432 0.000 2.427 535 D HA 0.091 4.731 4.640 0.000 0.000 0.226 535 D C 0.584 176.472 176.300 -0.687 0.000 1.076 535 D CA -0.589 53.153 54.000 -0.429 0.000 0.849 535 D CB 0.919 41.639 40.800 -0.132 0.000 1.052 535 D HN 0.657 nan 8.370 nan 0.000 0.515 536 K N 2.113 122.044 120.400 -0.781 0.000 2.643 536 K HA -0.038 4.282 4.320 0.000 0.000 0.193 536 K C 0.077 176.609 176.600 -0.113 0.000 1.027 536 K CA 0.233 56.140 56.287 -0.633 0.000 1.033 536 K CB -0.382 31.910 32.500 -0.346 0.000 0.827 536 K HN 0.225 nan 8.250 nan 0.000 0.500 537 S N -0.712 114.929 115.700 -0.098 0.000 2.855 537 S HA 0.306 4.776 4.470 0.000 0.000 0.249 537 S C -0.351 174.240 174.600 -0.017 0.000 1.033 537 S CA -0.804 57.391 58.200 -0.008 0.000 1.038 537 S CB 0.320 63.500 63.200 -0.034 0.000 0.960 537 S HN 0.176 nan 8.310 nan 0.000 0.548 538 K N 1.172 121.565 120.400 -0.012 0.000 2.238 538 K HA 0.515 4.835 4.320 0.000 0.000 0.239 538 K C -0.712 175.866 176.600 -0.037 0.000 0.987 538 K CA -0.961 55.258 56.287 -0.112 0.000 0.857 538 K CB 0.852 33.160 32.500 -0.321 0.000 1.154 538 K HN -0.085 nan 8.250 nan 0.000 0.439 539 K N 2.481 122.795 120.400 -0.142 0.000 2.266 539 K HA 0.224 4.544 4.320 0.000 0.000 0.274 539 K C -0.966 175.543 176.600 -0.151 0.000 1.090 539 K CA -0.173 56.081 56.287 -0.054 0.000 0.925 539 K CB 0.258 32.718 32.500 -0.067 0.000 1.225 539 K HN 0.457 nan 8.250 nan 0.000 0.458 540 Y N 3.139 123.487 120.300 0.079 0.000 2.320 540 Y HA 0.240 4.790 4.550 0.000 0.000 0.324 540 Y C -1.677 174.181 175.900 -0.069 0.000 1.190 540 Y CA -2.188 55.934 58.100 0.036 0.000 1.215 540 Y CB 0.668 39.208 38.460 0.133 0.000 1.221 540 Y HN 0.432 nan 8.280 nan 0.000 0.486 541 P HA 0.244 nan 4.420 nan 0.000 0.282 541 P C -1.256 175.936 177.300 -0.181 0.000 1.249 541 P CA -0.390 62.492 63.100 -0.363 0.000 0.806 541 P CB 1.532 32.738 31.700 -0.823 0.000 0.984 542 L N 3.006 124.143 121.223 -0.143 0.000 2.362 542 L HA 0.517 4.857 4.340 0.000 0.000 0.275 542 L C -1.203 175.861 176.870 0.324 0.000 0.998 542 L CA -0.889 54.010 54.840 0.098 0.000 0.820 542 L CB 1.398 43.506 42.059 0.082 0.000 1.270 542 L HN 0.238 nan 8.230 nan 0.000 0.415 543 L N 5.528 126.956 121.223 0.342 0.000 2.287 543 L HA 0.437 4.778 4.340 0.000 0.000 0.287 543 L C -1.121 175.979 176.870 0.384 0.000 1.022 543 L CA -0.895 54.195 54.840 0.418 0.000 0.814 543 L CB 1.727 43.992 42.059 0.343 0.000 1.217 543 L HN 0.598 nan 8.230 nan 0.000 0.420 544 L N 5.065 126.559 121.223 0.453 0.000 2.260 544 L HA 0.337 4.677 4.340 0.000 0.000 0.289 544 L C -0.481 176.621 176.870 0.386 0.000 1.057 544 L CA 0.053 55.145 54.840 0.421 0.000 0.811 544 L CB 1.031 43.381 42.059 0.485 0.000 1.184 544 L HN 0.464 nan 8.230 nan 0.000 0.429 545 D N 4.352 124.947 120.400 0.326 0.000 2.412 545 D HA 0.272 4.912 4.640 0.000 0.000 0.224 545 D C -1.058 175.308 176.300 0.110 0.000 1.093 545 D CA -0.045 54.070 54.000 0.192 0.000 0.850 545 D CB 1.216 42.197 40.800 0.303 0.000 1.046 545 D HN 0.313 nan 8.370 nan 0.000 0.507 546 V N 5.454 125.372 119.914 0.006 0.000 2.581 546 V HA 0.456 4.576 4.120 0.000 0.000 0.303 546 V C -0.786 175.397 176.094 0.148 0.000 1.041 546 V CA -0.338 62.027 62.300 0.110 0.000 0.907 546 V CB 1.631 33.523 31.823 0.116 0.000 0.994 546 V HN 0.681 nan 8.190 nan 0.000 0.442 547 Y N 5.305 125.658 120.300 0.087 0.000 2.972 547 Y HA 0.530 5.080 4.550 0.000 0.000 0.229 547 Y C 1.615 177.610 175.900 0.158 0.000 0.980 547 Y CA 1.059 59.232 58.100 0.121 0.000 1.475 547 Y CB 0.381 38.897 38.460 0.092 0.000 1.459 547 Y HN 0.960 nan 8.280 nan 0.000 0.460 548 A N 0.673 123.523 122.820 0.050 0.000 3.172 548 A HA -0.168 4.152 4.320 0.000 0.000 0.263 548 A C 0.905 178.222 177.584 -0.445 0.000 1.215 548 A CA 0.813 52.815 52.037 -0.059 0.000 1.065 548 A CB -2.605 16.447 19.000 0.086 0.000 1.148 548 A HN 0.923 nan 8.150 nan 0.000 0.904 549 G N -0.646 107.592 108.800 -0.936 0.000 2.569 549 G HA2 0.471 4.431 3.960 0.000 0.000 0.249 549 G HA3 0.471 4.431 3.960 0.000 0.000 0.249 549 G C -2.249 172.361 174.900 -0.483 0.000 1.216 549 G CA -0.698 43.598 45.100 -1.339 0.000 0.845 549 G HN 0.272 nan 8.290 nan 0.000 0.568 550 P HA 0.085 nan 4.420 nan 0.000 0.260 550 P C 0.549 177.804 177.300 -0.074 0.000 1.185 550 P CA 0.166 63.077 63.100 -0.315 0.000 0.763 550 P CB 0.584 31.785 31.700 -0.832 0.000 0.776 551 C N 2.676 121.958 119.300 -0.029 0.000 4.552 551 C HA -0.149 4.311 4.460 0.000 0.000 0.268 551 C C 1.047 176.103 174.990 0.110 0.000 1.288 551 C CA 1.120 60.081 59.018 -0.094 0.000 1.776 551 C CB -2.579 24.926 27.740 -0.392 0.000 1.415 551 C HN 0.772 nan 8.230 nan 0.000 0.729 552 S N 0.074 115.899 115.700 0.208 0.000 2.655 552 S HA 0.598 5.068 4.470 0.000 0.000 0.265 552 S C -0.526 174.255 174.600 0.303 0.000 1.240 552 S CA 0.346 58.747 58.200 0.336 0.000 0.986 552 S CB 1.597 65.057 63.200 0.434 0.000 0.985 552 S HN 0.903 nan 8.310 nan 0.000 0.562 553 Q N -0.113 119.878 119.800 0.318 0.000 2.759 553 Q HA 0.298 4.638 4.340 0.000 0.000 0.225 553 Q C -0.739 175.380 176.000 0.198 0.000 0.823 553 Q CA -0.620 55.347 55.803 0.274 0.000 0.828 553 Q CB 0.852 29.798 28.738 0.346 0.000 1.425 553 Q HN 0.612 nan 8.270 nan 0.000 0.449 554 K N 0.895 121.409 120.400 0.191 0.000 2.379 554 K HA 0.288 4.608 4.320 0.000 0.000 0.194 554 K C -0.093 176.598 176.600 0.151 0.000 1.031 554 K CA 0.557 56.942 56.287 0.163 0.000 1.037 554 K CB 0.984 33.603 32.500 0.198 0.000 0.824 554 K HN 0.517 nan 8.250 nan 0.000 0.516 555 A N 2.649 125.570 122.820 0.168 0.000 2.412 555 A HA 0.380 4.700 4.320 0.000 0.000 0.334 555 A C -0.770 176.876 177.584 0.104 0.000 1.419 555 A CA -0.611 51.527 52.037 0.169 0.000 0.930 555 A CB -0.063 19.097 19.000 0.267 0.000 1.149 555 A HN 0.249 nan 8.150 nan 0.000 0.515 556 D N -0.305 120.126 120.400 0.052 0.000 2.744 556 D HA 0.471 5.111 4.640 0.000 0.000 0.304 556 D C 0.554 176.849 176.300 -0.009 0.000 1.179 556 D CA 0.198 54.211 54.000 0.021 0.000 1.024 556 D CB 0.458 41.246 40.800 -0.019 0.000 1.453 556 D HN 0.114 nan 8.370 nan 0.000 0.529 557 T N -2.382 112.177 114.554 0.008 0.000 3.163 557 T HA 0.259 4.609 4.350 0.000 0.000 0.252 557 T C 0.544 175.191 174.700 -0.087 0.000 1.056 557 T CA -0.390 61.714 62.100 0.007 0.000 0.947 557 T CB -0.597 68.326 68.868 0.092 0.000 1.016 557 T HN 0.251 nan 8.240 nan 0.000 0.554 558 V N 2.395 122.150 119.914 -0.264 0.000 2.740 558 V HA 0.276 4.396 4.120 0.000 0.000 0.303 558 V C 0.156 176.191 176.094 -0.100 0.000 1.054 558 V CA -0.779 61.346 62.300 -0.291 0.000 1.106 558 V CB 0.091 31.641 31.823 -0.455 0.000 0.957 558 V HN 0.539 nan 8.190 nan 0.000 0.486 559 F N 5.969 125.819 119.950 -0.167 0.000 2.420 559 F HA 0.558 5.085 4.527 0.000 0.000 0.352 559 F C 0.472 176.210 175.800 -0.104 0.000 1.108 559 F CA -0.233 57.694 58.000 -0.122 0.000 1.162 559 F CB 0.308 39.245 39.000 -0.104 0.000 1.118 559 F HN 0.408 nan 8.300 nan 0.000 0.510 560 R N 6.484 126.511 120.500 -0.788 0.000 2.686 560 R HA 0.538 4.879 4.340 0.000 0.000 0.283 560 R C -1.604 174.274 176.300 -0.703 0.000 0.978 560 R CA -1.044 54.725 56.100 -0.552 0.000 0.897 560 R CB 2.158 32.282 30.300 -0.293 0.000 1.192 560 R HN 0.659 nan 8.270 nan 0.000 0.457 561 L N 4.240 125.223 121.223 -0.400 0.000 2.313 561 L HA 0.405 4.745 4.340 0.000 0.000 0.273 561 L C -0.768 176.027 176.870 -0.125 0.000 1.028 561 L CA -0.635 54.020 54.840 -0.307 0.000 0.871 561 L CB 0.527 42.558 42.059 -0.048 0.000 1.242 561 L HN 0.757 nan 8.230 nan 0.000 0.434 562 N N -0.082 118.458 118.700 -0.266 0.000 3.204 562 N HA 0.145 4.885 4.740 0.000 0.000 0.285 562 N C 0.131 175.309 175.510 -0.553 0.000 1.536 562 N CA -0.959 51.849 53.050 -0.404 0.000 0.832 562 N CB 0.231 38.622 38.487 -0.161 0.000 1.645 562 N HN 0.249 nan 8.380 nan 0.000 0.586 563 W N 0.632 121.303 121.300 -1.049 0.000 2.296 563 W HA -0.104 4.556 4.660 0.000 0.000 0.296 563 W C 1.937 178.405 176.519 -0.085 0.000 1.220 563 W CA 3.085 60.102 57.345 -0.547 0.000 1.223 563 W CB -0.917 28.374 29.460 -0.282 0.000 1.139 563 W HN 0.745 nan 8.180 nan 0.000 0.534 564 A N -1.040 121.743 122.820 -0.061 0.000 1.930 564 A HA -0.180 4.140 4.320 0.000 0.000 0.217 564 A C 1.969 179.431 177.584 -0.202 0.000 1.175 564 A CA 2.331 54.280 52.037 -0.146 0.000 0.627 564 A CB -1.254 17.728 19.000 -0.029 0.000 0.815 564 A HN 0.271 nan 8.150 nan 0.000 0.443 565 T N -1.083 113.339 114.554 -0.220 0.000 2.684 565 T HA -0.232 4.118 4.350 0.000 0.000 0.267 565 T C 1.801 176.448 174.700 -0.088 0.000 1.036 565 T CA 1.854 63.779 62.100 -0.292 0.000 1.148 565 T CB -0.526 67.961 68.868 -0.635 0.000 0.863 565 T HN 0.658 nan 8.240 nan 0.000 0.436 566 Y N 1.925 122.243 120.300 0.031 0.000 2.128 566 Y HA -0.086 4.464 4.550 0.000 0.000 0.284 566 Y C 1.993 177.865 175.900 -0.046 0.000 1.154 566 Y CA 1.105 59.298 58.100 0.155 0.000 1.149 566 Y CB -0.701 37.867 38.460 0.180 0.000 0.976 566 Y HN 0.128 nan 8.280 nan 0.000 0.505 567 L N -0.035 120.847 121.223 -0.569 0.000 2.131 567 L HA -0.196 4.144 4.340 0.000 0.000 0.210 567 L C 2.736 179.370 176.870 -0.394 0.000 1.092 567 L CA 1.130 55.568 54.840 -0.669 0.000 0.759 567 L CB -0.857 40.845 42.059 -0.595 0.000 0.903 567 L HN 0.435 nan 8.230 nan 0.000 0.435 568 A N -1.045 121.607 122.820 -0.279 0.000 1.850 568 A HA -0.164 4.156 4.320 0.000 0.000 0.212 568 A C 2.491 179.981 177.584 -0.157 0.000 1.208 568 A CA 1.469 53.390 52.037 -0.193 0.000 0.609 568 A CB -0.776 18.108 19.000 -0.193 0.000 0.860 568 A HN 0.302 nan 8.150 nan 0.000 0.448 569 S N -0.798 114.820 115.700 -0.138 0.000 2.353 569 S HA -0.166 4.304 4.470 0.000 0.000 0.222 569 S C 1.951 176.522 174.600 -0.049 0.000 1.035 569 S CA 2.531 60.691 58.200 -0.066 0.000 1.025 569 S CB -0.581 62.631 63.200 0.021 0.000 0.902 569 S HN 0.555 nan 8.310 nan 0.000 0.440 570 T N 0.955 115.448 114.554 -0.102 0.000 3.035 570 T HA 0.198 4.548 4.350 0.000 0.000 0.259 570 T C 1.256 175.877 174.700 -0.133 0.000 1.078 570 T CA 0.602 62.654 62.100 -0.079 0.000 1.132 570 T CB -0.004 68.861 68.868 -0.004 0.000 0.900 570 T HN 0.381 nan 8.240 nan 0.000 0.480 571 E N 0.974 121.028 120.200 -0.244 0.000 2.526 571 E HA 0.171 4.521 4.350 0.000 0.000 0.208 571 E C -0.243 176.326 176.600 -0.051 0.000 0.997 571 E CA -0.096 56.209 56.400 -0.159 0.000 0.961 571 E CB -0.025 29.521 29.700 -0.256 0.000 1.030 571 E HN 0.510 nan 8.360 nan 0.000 0.483 572 N N 1.133 119.815 118.700 -0.031 0.000 2.696 572 N HA -0.196 4.544 4.740 0.000 0.000 0.256 572 N C -0.870 174.711 175.510 0.119 0.000 1.031 572 N CA 0.426 53.526 53.050 0.084 0.000 0.730 572 N CB -1.303 37.291 38.487 0.179 0.000 0.894 572 N HN 0.232 nan 8.380 nan 0.000 0.544 573 I N 0.733 121.312 120.570 0.014 0.000 2.474 573 I HA 0.388 4.558 4.170 0.000 0.000 0.294 573 I C 0.481 176.575 176.117 -0.038 0.000 1.005 573 I CA -0.989 60.334 61.300 0.038 0.000 1.113 573 I CB 1.499 39.535 38.000 0.060 0.000 1.289 573 I HN 0.078 nan 8.210 nan 0.000 0.436 574 I N 6.339 126.893 120.570 -0.027 0.000 2.396 574 I HA 0.177 4.347 4.170 0.000 0.000 0.289 574 I C -0.362 175.738 176.117 -0.028 0.000 1.056 574 I CA -0.484 60.750 61.300 -0.110 0.000 1.365 574 I CB 0.962 38.883 38.000 -0.130 0.000 1.407 574 I HN 0.179 nan 8.210 nan 0.000 0.509 575 V N 6.684 126.569 119.914 -0.049 0.000 2.328 575 V HA 0.578 4.698 4.120 0.000 0.000 0.278 575 V C 0.443 176.563 176.094 0.044 0.000 1.021 575 V CA -0.394 61.929 62.300 0.038 0.000 0.838 575 V CB 1.097 32.936 31.823 0.026 0.000 0.999 575 V HN 0.859 nan 8.190 nan 0.000 0.447 576 A N 4.113 126.994 122.820 0.102 0.000 2.337 576 A HA 0.952 5.272 4.320 0.000 0.000 0.331 576 A C -0.159 177.580 177.584 0.258 0.000 1.137 576 A CA -0.520 51.581 52.037 0.106 0.000 0.807 576 A CB 1.665 20.621 19.000 -0.074 0.000 1.250 576 A HN 0.688 nan 8.150 nan 0.000 0.468 577 S N -0.160 115.736 115.700 0.326 0.000 2.540 577 S HA 0.691 5.161 4.470 0.000 0.000 0.275 577 S C -1.495 173.443 174.600 0.564 0.000 1.123 577 S CA -0.310 58.126 58.200 0.393 0.000 0.907 577 S CB 1.294 64.663 63.200 0.281 0.000 1.081 577 S HN 0.734 nan 8.310 nan 0.000 0.476 578 F N 2.102 122.275 119.950 0.371 0.000 2.518 578 F HA 0.472 4.999 4.527 0.000 0.000 0.323 578 F C -1.240 174.744 175.800 0.308 0.000 1.129 578 F CA -0.846 57.387 58.000 0.390 0.000 0.920 578 F CB 1.342 40.527 39.000 0.309 0.000 1.160 578 F HN 0.396 nan 8.300 nan 0.000 0.440 579 D N 5.040 125.256 120.400 -0.307 0.000 2.500 579 D HA 0.297 4.937 4.640 0.000 0.000 0.219 579 D C 0.543 176.534 176.300 -0.514 0.000 1.137 579 D CA 0.179 54.049 54.000 -0.217 0.000 0.946 579 D CB 1.158 41.995 40.800 0.063 0.000 1.022 579 D HN 0.751 nan 8.370 nan 0.000 0.518 580 G N 1.114 109.614 108.800 -0.500 0.000 2.666 580 G HA2 0.210 4.170 3.960 0.000 0.000 0.207 580 G HA3 0.210 4.170 3.960 0.000 0.000 0.207 580 G C 0.267 175.102 174.900 -0.108 0.000 1.481 580 G CA -0.637 44.222 45.100 -0.402 0.000 1.071 580 G HN 0.273 nan 8.290 nan 0.000 0.572 581 R N -0.641 119.788 120.500 -0.119 0.000 2.590 581 R HA 0.397 4.737 4.340 0.000 0.000 0.274 581 R C 1.175 177.530 176.300 0.092 0.000 1.061 581 R CA 1.271 57.399 56.100 0.047 0.000 1.081 581 R CB 0.671 30.979 30.300 0.014 0.000 0.984 581 R HN 0.976 nan 8.270 nan 0.000 0.448 582 G N 1.142 110.005 108.800 0.104 0.000 2.279 582 G HA2 -0.325 3.635 3.960 0.000 0.000 0.223 582 G HA3 -0.325 3.635 3.960 0.000 0.000 0.223 582 G C 0.109 175.036 174.900 0.044 0.000 1.015 582 G CA 0.115 45.265 45.100 0.084 0.000 0.621 582 G HN 0.698 nan 8.290 nan 0.000 0.506 583 S N 0.577 116.310 115.700 0.055 0.000 2.584 583 S HA 0.600 5.070 4.470 0.000 0.000 0.270 583 S C 0.867 175.467 174.600 -0.000 0.000 1.346 583 S CA 0.443 58.676 58.200 0.057 0.000 1.018 583 S CB 1.735 64.997 63.200 0.103 0.000 0.899 583 S HN 1.668 nan 8.310 nan 0.000 0.542 584 G N -0.842 107.924 108.800 -0.057 0.000 2.613 584 G HA2 0.512 4.472 3.960 0.000 0.000 0.303 584 G HA3 0.512 4.472 3.960 0.000 0.000 0.303 584 G C -0.855 173.933 174.900 -0.187 0.000 1.312 584 G CA -1.018 43.892 45.100 -0.316 0.000 1.036 584 G HN 0.918 nan 8.290 nan 0.000 0.513 585 Y N -2.600 117.691 120.300 -0.015 0.000 4.929 585 Y HA -0.219 4.331 4.550 -0.000 0.000 0.253 585 Y C 1.519 177.422 175.900 0.004 0.000 0.946 585 Y CA 1.118 59.220 58.100 0.003 0.000 1.905 585 Y CB -1.872 36.608 38.460 0.032 0.000 1.400 585 Y HN 0.505 nan 8.280 nan 0.000 0.531 586 Q N 0.489 120.313 119.800 0.040 0.000 2.157 586 Q HA 0.500 4.840 4.340 0.000 0.000 0.229 586 Q C 1.034 176.937 176.000 -0.162 0.000 0.827 586 Q CA 0.260 56.085 55.803 0.036 0.000 1.055 586 Q CB 1.252 30.020 28.738 0.051 0.000 1.157 586 Q HN 0.549 nan 8.270 nan 0.000 0.482 587 G N 0.831 109.421 108.800 -0.351 0.000 2.787 587 G HA2 -0.233 3.727 3.960 0.000 0.000 0.685 587 G HA3 -0.233 3.727 3.960 0.000 0.000 0.685 587 G C -0.283 174.265 174.900 -0.588 0.000 1.437 587 G CA -0.436 44.194 45.100 -0.783 0.000 0.872 587 G HN 0.240 nan 8.290 nan 0.000 0.566 588 D N -0.119 119.892 120.400 -0.649 0.000 2.264 588 D HA -0.035 4.605 4.640 0.000 0.000 0.208 588 D C 2.218 178.244 176.300 -0.456 0.000 0.966 588 D CA 1.221 54.817 54.000 -0.673 0.000 0.864 588 D CB 0.047 40.428 40.800 -0.699 0.000 0.933 588 D HN 0.544 nan 8.370 nan 0.000 0.499 589 K N 0.299 120.500 120.400 -0.332 0.000 2.097 589 K HA -0.043 4.277 4.320 0.000 0.000 0.205 589 K C 1.945 178.482 176.600 -0.106 0.000 1.050 589 K CA 0.673 56.856 56.287 -0.174 0.000 0.938 589 K CB 0.105 32.526 32.500 -0.133 0.000 0.718 589 K HN 0.135 nan 8.250 nan 0.000 0.442 590 I N 0.251 120.747 120.570 -0.123 0.000 2.400 590 I HA -0.204 3.966 4.170 0.000 0.000 0.248 590 I C 2.543 178.653 176.117 -0.013 0.000 1.109 590 I CA 0.661 61.956 61.300 -0.009 0.000 1.425 590 I CB -0.186 37.830 38.000 0.025 0.000 1.094 590 I HN 0.280 nan 8.210 nan 0.000 0.425 591 M N 0.575 120.094 119.600 -0.136 0.000 2.064 591 M HA -0.205 4.276 4.480 0.000 0.000 0.260 591 M C 2.109 178.424 176.300 0.025 0.000 1.073 591 M CA 1.995 57.229 55.300 -0.109 0.000 1.124 591 M CB -0.355 32.064 32.600 -0.302 0.000 1.326 591 M HN 0.208 nan 8.290 nan 0.000 0.410 592 H N -0.439 118.536 119.070 -0.158 0.000 2.563 592 H HA 0.103 4.659 4.556 0.000 0.000 0.272 592 H C 1.727 177.077 175.328 0.037 0.000 1.005 592 H CA 0.143 56.108 56.048 -0.138 0.000 1.171 592 H CB -0.004 29.589 29.762 -0.282 0.000 1.351 592 H HN 0.542 nan 8.280 nan 0.000 0.602 593 A N 1.299 124.223 122.820 0.174 0.000 2.186 593 A HA -0.115 4.205 4.320 0.000 0.000 0.219 593 A C 2.006 179.801 177.584 0.352 0.000 1.159 593 A CA 1.045 53.208 52.037 0.210 0.000 0.680 593 A CB -0.695 18.380 19.000 0.124 0.000 0.787 593 A HN 0.610 nan 8.150 nan 0.000 0.467 594 I N -4.064 116.683 120.570 0.295 0.000 4.082 594 I HA 0.172 4.342 4.170 0.000 0.000 0.337 594 I C 0.498 176.707 176.117 0.153 0.000 1.352 594 I CA -0.578 60.862 61.300 0.233 0.000 1.097 594 I CB -0.325 37.777 38.000 0.171 0.000 1.048 594 I HN 0.119 nan 8.210 nan 0.000 0.393 595 N N 3.447 122.278 118.700 0.218 0.000 2.292 595 N HA -0.124 4.616 4.740 0.000 0.000 0.258 595 N C 0.207 175.728 175.510 0.018 0.000 1.261 595 N CA 0.724 53.885 53.050 0.185 0.000 0.845 595 N CB 0.342 38.920 38.487 0.152 0.000 1.064 595 N HN 0.389 nan 8.380 nan 0.000 0.471 596 R N 0.817 121.285 120.500 -0.053 0.000 3.863 596 R HA -0.203 4.137 4.340 0.000 0.000 0.313 596 R C 0.162 176.271 176.300 -0.319 0.000 1.202 596 R CA 0.957 56.936 56.100 -0.202 0.000 0.852 596 R CB -1.152 29.020 30.300 -0.214 0.000 1.292 596 R HN 0.690 nan 8.270 nan 0.000 0.519 597 R N 0.349 120.753 120.500 -0.159 0.000 2.470 597 R HA 0.144 4.484 4.340 0.000 0.000 0.354 597 R C -0.951 175.334 176.300 -0.025 0.000 1.058 597 R CA -0.496 55.580 56.100 -0.041 0.000 1.183 597 R CB 0.415 30.679 30.300 -0.060 0.000 1.398 597 R HN -0.104 nan 8.270 nan 0.000 0.679 598 L N 0.272 121.449 121.223 -0.077 0.000 2.439 598 L HA 0.360 4.700 4.340 0.000 0.000 0.269 598 L C 1.315 178.294 176.870 0.181 0.000 1.179 598 L CA 1.681 56.506 54.840 -0.024 0.000 0.828 598 L CB 1.087 42.941 42.059 -0.341 0.000 1.106 598 L HN 0.518 nan 8.230 nan 0.000 0.467 599 G N 1.244 110.240 108.800 0.325 0.000 2.198 599 G HA2 -0.311 3.649 3.960 0.000 0.000 0.257 599 G HA3 -0.311 3.649 3.960 0.000 0.000 0.257 599 G C 0.563 175.520 174.900 0.094 0.000 1.042 599 G CA 1.033 46.317 45.100 0.307 0.000 0.791 599 G HN 0.974 nan 8.290 nan 0.000 0.502 600 T N -4.378 110.196 114.554 0.033 0.000 3.447 600 T HA 0.422 4.772 4.350 0.000 0.000 0.218 600 T C 1.709 176.403 174.700 -0.011 0.000 0.972 600 T CA 1.023 63.070 62.100 -0.088 0.000 1.264 600 T CB 0.053 68.742 68.868 -0.297 0.000 1.284 600 T HN 0.104 nan 8.240 nan 0.000 0.361 601 F N 3.498 123.486 119.950 0.064 0.000 2.084 601 F HA 0.130 4.657 4.527 0.000 0.000 0.296 601 F C 2.855 178.681 175.800 0.042 0.000 1.111 601 F CA 1.312 59.339 58.000 0.044 0.000 1.224 601 F CB -0.729 38.299 39.000 0.046 0.000 0.991 601 F HN 0.435 nan 8.300 nan 0.000 0.471 602 E N 1.061 121.417 120.200 0.260 0.000 2.209 602 E HA -0.185 4.165 4.350 0.000 0.000 0.196 602 E C 2.249 178.944 176.600 0.157 0.000 0.993 602 E CA 1.597 58.108 56.400 0.185 0.000 0.819 602 E CB -1.400 28.401 29.700 0.168 0.000 0.745 602 E HN 0.358 nan 8.360 nan 0.000 0.477 603 V N 0.543 120.532 119.914 0.125 0.000 2.407 603 V HA -0.147 3.973 4.120 0.000 0.000 0.245 603 V C 2.064 178.188 176.094 0.051 0.000 1.041 603 V CA 1.892 64.224 62.300 0.053 0.000 1.040 603 V CB -0.233 31.567 31.823 -0.038 0.000 0.671 603 V HN 0.137 nan 8.190 nan 0.000 0.455 604 E N 0.095 120.340 120.200 0.077 0.000 2.085 604 E HA -0.249 4.101 4.350 0.000 0.000 0.194 604 E C 1.914 178.536 176.600 0.037 0.000 0.994 604 E CA 1.869 58.309 56.400 0.067 0.000 0.801 604 E CB -0.194 29.578 29.700 0.121 0.000 0.743 604 E HN 0.641 nan 8.360 nan 0.000 0.453 605 D N -0.055 120.381 120.400 0.059 0.000 2.219 605 D HA -0.139 4.501 4.640 0.000 0.000 0.205 605 D C 1.840 178.133 176.300 -0.010 0.000 0.970 605 D CA 0.791 54.804 54.000 0.021 0.000 0.851 605 D CB -0.061 40.797 40.800 0.096 0.000 0.943 605 D HN 0.038 nan 8.370 nan 0.000 0.488 606 Q N 0.000 119.847 119.800 0.077 0.000 2.083 606 Q HA 0.051 4.391 4.340 0.000 0.000 0.198 606 Q C 2.074 178.094 176.000 0.034 0.000 0.969 606 Q CA 0.751 56.607 55.803 0.088 0.000 0.838 606 Q CB -0.051 28.773 28.738 0.142 0.000 0.900 606 Q HN 0.316 nan 8.270 nan 0.000 0.436 607 I N 0.249 120.858 120.570 0.065 0.000 2.286 607 I HA -0.214 3.956 4.170 0.000 0.000 0.248 607 I C 2.177 178.246 176.117 -0.079 0.000 1.115 607 I CA 0.887 62.259 61.300 0.120 0.000 1.392 607 I CB -0.271 37.797 38.000 0.114 0.000 1.065 607 I HN 0.194 nan 8.210 nan 0.000 0.418 608 E N 1.456 121.558 120.200 -0.164 0.000 2.031 608 E HA -0.187 4.163 4.350 0.000 0.000 0.193 608 E C 2.314 178.626 176.600 -0.480 0.000 0.994 608 E CA 1.704 57.946 56.400 -0.264 0.000 0.800 608 E CB -0.314 29.244 29.700 -0.237 0.000 0.752 608 E HN 0.420 nan 8.360 nan 0.000 0.447 609 A N 1.072 123.433 122.820 -0.766 0.000 1.940 609 A HA -0.167 4.153 4.320 0.000 0.000 0.219 609 A C 2.419 179.274 177.584 -1.214 0.000 1.176 609 A CA 2.474 53.732 52.037 -1.298 0.000 0.631 609 A CB -0.763 17.100 19.000 -1.896 0.000 0.814 609 A HN 0.316 nan 8.150 nan 0.000 0.446 610 A N -0.206 122.268 122.820 -0.578 0.000 1.908 610 A HA -0.192 4.128 4.320 0.000 0.000 0.218 610 A C 2.262 179.647 177.584 -0.333 0.000 1.181 610 A CA 1.554 53.408 52.037 -0.304 0.000 0.627 610 A CB -0.501 18.392 19.000 -0.178 0.000 0.818 610 A HN 0.566 nan 8.150 nan 0.000 0.445 611 R N -0.671 119.627 120.500 -0.337 0.000 2.080 611 R HA -0.152 4.189 4.340 0.000 0.000 0.236 611 R C 2.398 178.538 176.300 -0.267 0.000 1.137 611 R CA 1.548 57.489 56.100 -0.265 0.000 0.943 611 R CB -0.487 29.682 30.300 -0.220 0.000 0.846 611 R HN 0.614 nan 8.270 nan 0.000 0.431 612 Q N -0.144 119.434 119.800 -0.369 0.000 2.181 612 Q HA -0.162 4.178 4.340 0.000 0.000 0.205 612 Q C 2.036 177.899 176.000 -0.229 0.000 0.980 612 Q CA 1.338 56.944 55.803 -0.328 0.000 0.862 612 Q CB -0.192 28.280 28.738 -0.444 0.000 0.905 612 Q HN 0.296 nan 8.270 nan 0.000 0.429 613 F N 1.090 120.869 119.950 -0.285 0.000 2.146 613 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 613 F C 2.773 178.379 175.800 -0.323 0.000 1.096 613 F CA 1.215 59.033 58.000 -0.304 0.000 1.275 613 F CB -1.217 37.641 39.000 -0.237 0.000 1.008 613 F HN 0.080 nan 8.300 nan 0.000 0.480 614 S N -0.292 115.359 115.700 -0.082 0.000 2.383 614 S HA -0.144 4.326 4.470 0.000 0.000 0.227 614 S C 1.949 176.451 174.600 -0.164 0.000 1.026 614 S CA 0.655 58.771 58.200 -0.139 0.000 0.981 614 S CB -0.476 62.645 63.200 -0.131 0.000 0.818 614 S HN 0.175 nan 8.310 nan 0.000 0.472 615 K N 1.020 121.330 120.400 -0.150 0.000 2.362 615 K HA 0.080 4.400 4.320 0.000 0.000 0.202 615 K C 1.717 178.226 176.600 -0.151 0.000 1.045 615 K CA 0.979 57.186 56.287 -0.134 0.000 0.936 615 K CB -0.448 31.979 32.500 -0.121 0.000 0.747 615 K HN 0.537 nan 8.250 nan 0.000 0.467 616 M N -1.061 118.398 119.600 -0.235 0.000 2.619 616 M HA -0.039 4.441 4.480 0.000 0.000 0.251 616 M C 1.298 177.374 176.300 -0.373 0.000 1.106 616 M CA 0.858 55.968 55.300 -0.317 0.000 1.086 616 M CB 0.136 32.441 32.600 -0.492 0.000 1.465 616 M HN 0.397 nan 8.290 nan 0.000 0.506 617 G N 1.057 109.679 108.800 -0.297 0.000 2.363 617 G HA2 -0.334 3.627 3.960 0.000 0.000 0.238 617 G HA3 -0.334 3.627 3.960 0.000 0.000 0.238 617 G C 0.524 175.392 174.900 -0.054 0.000 1.062 617 G CA 0.486 45.504 45.100 -0.137 0.000 0.629 617 G HN 0.603 nan 8.290 nan 0.000 0.514 618 F N 1.101 121.113 119.950 0.104 0.000 2.693 618 F HA 0.750 5.277 4.527 -0.000 0.000 0.303 618 F C 0.284 176.218 175.800 0.224 0.000 1.143 618 F CA -1.127 56.984 58.000 0.184 0.000 1.389 618 F CB -0.065 39.117 39.000 0.303 0.000 1.060 618 F HN 0.113 nan 8.300 nan 0.000 0.535 619 V N 1.272 121.214 119.914 0.046 0.000 2.495 619 V HA 0.164 4.284 4.120 0.000 0.000 0.298 619 V C -0.514 175.579 176.094 -0.001 0.000 1.031 619 V CA -0.951 61.382 62.300 0.055 0.000 0.871 619 V CB 1.624 33.394 31.823 -0.088 0.000 0.988 619 V HN 0.060 nan 8.190 nan 0.000 0.432 620 D N 4.185 124.579 120.400 -0.011 0.000 2.357 620 D HA -0.006 4.634 4.640 0.000 0.000 0.265 620 D C 1.342 177.587 176.300 -0.092 0.000 1.334 620 D CA 0.642 54.598 54.000 -0.073 0.000 0.984 620 D CB 0.021 40.747 40.800 -0.124 0.000 1.077 620 D HN 0.626 nan 8.370 nan 0.000 0.514 621 N N 2.751 121.402 118.700 -0.082 0.000 2.122 621 N HA -0.296 4.444 4.740 0.000 0.000 0.199 621 N C 0.619 176.078 175.510 -0.086 0.000 1.007 621 N CA 1.527 54.524 53.050 -0.089 0.000 0.892 621 N CB 0.160 38.601 38.487 -0.077 0.000 1.050 621 N HN 0.338 nan 8.380 nan 0.000 0.468 622 K N 0.141 120.497 120.400 -0.073 0.000 2.493 622 K HA 0.244 4.564 4.320 0.000 0.000 0.207 622 K C -0.052 176.526 176.600 -0.036 0.000 1.033 622 K CA 0.188 56.447 56.287 -0.047 0.000 1.161 622 K CB 0.445 32.926 32.500 -0.032 0.000 0.873 622 K HN 0.007 nan 8.250 nan 0.000 0.491 623 R N 1.443 121.889 120.500 -0.090 0.000 2.655 623 R HA 0.362 4.702 4.340 0.000 0.000 0.261 623 R C -1.049 175.155 176.300 -0.160 0.000 1.624 623 R CA -0.197 55.806 56.100 -0.162 0.000 1.655 623 R CB 0.547 30.587 30.300 -0.434 0.000 1.356 623 R HN 0.204 nan 8.270 nan 0.000 0.684 624 I N 1.032 121.660 120.570 0.097 0.000 2.362 624 I HA 0.561 4.731 4.170 0.000 0.000 0.289 624 I C 0.195 176.614 176.117 0.503 0.000 0.994 624 I CA -0.797 60.625 61.300 0.204 0.000 1.158 624 I CB 1.806 39.770 38.000 -0.059 0.000 1.315 624 I HN 0.249 nan 8.210 nan 0.000 0.451 625 A N 7.171 130.394 122.820 0.671 0.000 2.344 625 A HA 0.937 5.257 4.320 0.000 0.000 0.307 625 A C -0.927 177.020 177.584 0.605 0.000 1.151 625 A CA -0.685 51.714 52.037 0.603 0.000 0.842 625 A CB 2.212 21.434 19.000 0.370 0.000 1.350 625 A HN 0.760 nan 8.150 nan 0.000 0.459 626 I N 0.044 120.880 120.570 0.445 0.000 2.752 626 I HA 0.664 4.834 4.170 0.000 0.000 0.295 626 I C -2.118 174.255 176.117 0.426 0.000 1.219 626 I CA -0.531 60.968 61.300 0.331 0.000 1.030 626 I CB 1.735 39.669 38.000 -0.110 0.000 1.259 626 I HN 0.949 nan 8.210 nan 0.000 0.423 627 W N 7.025 128.455 121.300 0.217 0.000 3.363 627 W HA 0.807 5.467 4.660 0.000 0.000 0.306 627 W C -1.466 175.212 176.519 0.264 0.000 1.253 627 W CA -0.843 56.642 57.345 0.233 0.000 1.195 627 W CB 0.906 30.545 29.460 0.299 0.000 1.366 627 W HN 0.832 nan 8.180 nan 0.000 0.551 628 G N 1.103 109.846 108.800 -0.095 0.000 2.608 628 G HA2 0.556 4.516 3.960 0.000 0.000 0.291 628 G HA3 0.556 4.516 3.960 0.000 0.000 0.291 628 G C -2.777 172.123 174.900 0.001 0.000 1.425 628 G CA -0.720 44.194 45.100 -0.311 0.000 0.787 628 G HN 0.612 nan 8.290 nan 0.000 0.484 629 W N 0.625 121.859 121.300 -0.110 0.000 2.819 629 W HA 0.569 5.229 4.660 0.000 0.000 0.337 629 W C 0.667 177.276 176.519 0.150 0.000 1.077 629 W CA 0.358 57.714 57.345 0.018 0.000 1.226 629 W CB 1.695 31.151 29.460 -0.006 0.000 1.419 629 W HN 1.063 nan 8.180 nan 0.000 0.502 630 S N 1.827 117.805 115.700 0.463 0.000 4.116 630 S HA -0.426 4.044 4.470 0.000 0.000 0.623 630 S C 0.841 175.571 174.600 0.217 0.000 1.933 630 S CA 1.574 60.030 58.200 0.427 0.000 4.224 630 S CB -1.557 62.023 63.200 0.634 0.000 0.208 630 S HN 0.752 nan 8.310 nan 0.000 0.527 631 Y N 2.931 123.273 120.300 0.071 0.000 2.151 631 Y HA -0.126 4.424 4.550 0.000 0.000 0.284 631 Y C 2.482 178.377 175.900 -0.008 0.000 1.166 631 Y CA 2.539 60.600 58.100 -0.064 0.000 1.163 631 Y CB -1.097 37.117 38.460 -0.411 0.000 0.974 631 Y HN 0.574 nan 8.280 nan 0.000 0.511 632 G N -1.104 107.827 108.800 0.218 0.000 2.442 632 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 632 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 632 G C 1.924 176.903 174.900 0.130 0.000 1.141 632 G CA 0.851 46.066 45.100 0.192 0.000 0.763 632 G HN 0.608 nan 8.290 nan 0.000 0.554 633 G N -0.269 108.614 108.800 0.138 0.000 2.408 633 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 633 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 633 G C 1.602 176.555 174.900 0.089 0.000 1.150 633 G CA 1.075 46.232 45.100 0.096 0.000 0.776 633 G HN 0.430 nan 8.290 nan 0.000 0.542 634 Y N 1.474 121.715 120.300 -0.098 0.000 2.114 634 Y HA -0.148 4.402 4.550 0.000 0.000 0.284 634 Y C 2.761 178.593 175.900 -0.113 0.000 1.143 634 Y CA 1.667 59.654 58.100 -0.187 0.000 1.135 634 Y CB -0.548 37.654 38.460 -0.430 0.000 0.980 634 Y HN 0.034 nan 8.280 nan 0.000 0.499 635 V N -0.109 119.708 119.914 -0.162 0.000 2.233 635 V HA -0.373 3.747 4.120 0.000 0.000 0.247 635 V C 2.343 178.332 176.094 -0.175 0.000 1.050 635 V CA 2.584 64.767 62.300 -0.195 0.000 1.010 635 V CB -1.421 30.432 31.823 0.050 0.000 0.637 635 V HN 0.501 nan 8.190 nan 0.000 0.444 636 T N 0.203 114.715 114.554 -0.070 0.000 2.624 636 T HA -0.296 4.054 4.350 0.000 0.000 0.266 636 T C 2.092 176.724 174.700 -0.112 0.000 1.050 636 T CA 2.358 64.418 62.100 -0.067 0.000 1.163 636 T CB -0.421 68.488 68.868 0.068 0.000 0.861 636 T HN 0.532 nan 8.240 nan 0.000 0.443 637 S N 0.717 116.384 115.700 -0.054 0.000 2.356 637 S HA -0.023 4.447 4.470 0.000 0.000 0.223 637 S C 2.150 176.659 174.600 -0.152 0.000 1.032 637 S CA 1.037 59.217 58.200 -0.034 0.000 1.005 637 S CB -0.303 62.940 63.200 0.071 0.000 0.867 637 S HN 0.337 nan 8.310 nan 0.000 0.449 638 M N 0.981 120.412 119.600 -0.282 0.000 2.159 638 M HA -0.047 4.433 4.480 0.000 0.000 0.263 638 M C 2.181 178.315 176.300 -0.278 0.000 1.063 638 M CA 1.031 56.145 55.300 -0.311 0.000 1.110 638 M CB -1.404 30.911 32.600 -0.475 0.000 1.374 638 M HN 0.181 nan 8.290 nan 0.000 0.411 639 V N 0.742 120.482 119.914 -0.288 0.000 2.244 639 V HA -0.253 3.867 4.120 0.000 0.000 0.244 639 V C 2.513 178.392 176.094 -0.358 0.000 1.042 639 V CA 1.517 63.639 62.300 -0.297 0.000 1.006 639 V CB -0.712 30.868 31.823 -0.405 0.000 0.641 639 V HN 0.391 nan 8.190 nan 0.000 0.446 640 L N 0.591 121.539 121.223 -0.459 0.000 2.187 640 L HA -0.108 4.232 4.340 0.000 0.000 0.213 640 L C 2.393 178.706 176.870 -0.928 0.000 1.100 640 L CA 1.598 56.081 54.840 -0.594 0.000 0.765 640 L CB -0.888 40.798 42.059 -0.622 0.000 0.904 640 L HN 0.489 nan 8.230 nan 0.000 0.437 641 G N -1.155 107.093 108.800 -0.920 0.000 2.813 641 G HA2 -0.145 3.815 3.960 0.000 0.000 0.209 641 G HA3 -0.145 3.815 3.960 0.000 0.000 0.209 641 G C 1.660 176.355 174.900 -0.342 0.000 1.150 641 G CA 0.662 45.301 45.100 -0.769 0.000 0.785 641 G HN 0.468 nan 8.290 nan 0.000 0.535 642 S N -0.065 115.473 115.700 -0.271 0.000 2.522 642 S HA 0.266 4.736 4.470 0.000 0.000 0.227 642 S C 1.935 176.471 174.600 -0.105 0.000 0.986 642 S CA 0.958 59.071 58.200 -0.145 0.000 0.929 642 S CB -0.380 62.758 63.200 -0.104 0.000 0.769 642 S HN 1.350 nan 8.310 nan 0.000 0.529 643 G N 1.655 110.376 108.800 -0.131 0.000 2.321 643 G HA2 -0.331 3.629 3.960 0.000 0.000 0.287 643 G HA3 -0.331 3.629 3.960 0.000 0.000 0.287 643 G C 0.775 175.655 174.900 -0.033 0.000 1.018 643 G CA 0.784 45.839 45.100 -0.075 0.000 0.855 643 G HN 1.337 nan 8.290 nan 0.000 0.507 644 S N -1.133 114.561 115.700 -0.010 0.000 2.561 644 S HA 0.346 4.816 4.470 0.000 0.000 0.225 644 S C 2.395 177.000 174.600 0.008 0.000 0.977 644 S CA 1.221 59.427 58.200 0.011 0.000 0.926 644 S CB -0.012 63.218 63.200 0.050 0.000 0.769 644 S HN 2.305 nan 8.310 nan 0.000 0.533 645 G N 0.594 109.405 108.800 0.018 0.000 2.228 645 G HA2 -0.336 3.624 3.960 0.000 0.000 0.270 645 G HA3 -0.336 3.624 3.960 0.000 0.000 0.270 645 G C 0.828 175.718 174.900 -0.017 0.000 0.976 645 G CA 0.550 45.654 45.100 0.007 0.000 0.636 645 G HN 0.712 nan 8.290 nan 0.000 0.542 646 V N -0.750 119.135 119.914 -0.048 0.000 2.667 646 V HA 0.213 4.334 4.120 0.000 0.000 0.252 646 V C 1.092 176.941 176.094 -0.407 0.000 1.065 646 V CA 1.540 63.672 62.300 -0.279 0.000 1.083 646 V CB -0.395 31.140 31.823 -0.481 0.000 0.692 646 V HN 0.325 nan 8.190 nan 0.000 0.468 647 F N -0.620 119.343 119.950 0.022 0.000 2.482 647 F HA 0.428 4.955 4.527 0.000 0.000 0.331 647 F C 0.956 176.805 175.800 0.082 0.000 1.115 647 F CA -0.728 57.314 58.000 0.069 0.000 0.955 647 F CB 1.797 40.836 39.000 0.065 0.000 1.136 647 F HN -0.316 nan 8.300 nan 0.000 0.452 648 K N 1.492 122.074 120.400 0.302 0.000 2.137 648 K HA 0.124 4.444 4.320 0.000 0.000 0.202 648 K C -0.226 176.525 176.600 0.253 0.000 1.052 648 K CA 0.981 57.408 56.287 0.234 0.000 0.961 648 K CB 0.273 32.914 32.500 0.235 0.000 0.741 648 K HN 0.787 nan 8.250 nan 0.000 0.452 649 c N -3.028 115.763 118.600 0.320 0.000 3.306 649 c HA 0.861 5.431 4.570 0.000 0.000 0.335 649 c C -0.236 174.080 174.090 0.378 0.000 1.382 649 c CA -0.805 55.729 56.329 0.342 0.000 1.254 649 c CB 1.023 43.721 42.510 0.313 0.000 1.555 649 c HN 0.333 nan 8.230 nan 0.000 0.463 650 G N -0.189 108.875 108.800 0.440 0.000 2.692 650 G HA2 0.774 4.734 3.960 0.000 0.000 0.291 650 G HA3 0.774 4.734 3.960 0.000 0.000 0.291 650 G C -1.968 173.146 174.900 0.357 0.000 1.423 650 G CA -0.739 44.595 45.100 0.389 0.000 0.843 650 G HN 0.974 nan 8.290 nan 0.000 0.486 651 I N 0.916 121.673 120.570 0.311 0.000 2.468 651 I HA 0.563 4.733 4.170 0.000 0.000 0.285 651 I C 0.134 176.392 176.117 0.235 0.000 1.039 651 I CA -0.857 60.523 61.300 0.134 0.000 1.074 651 I CB 2.193 40.240 38.000 0.079 0.000 1.228 651 I HN 0.613 nan 8.210 nan 0.000 0.436 652 A N 6.661 129.536 122.820 0.091 0.000 2.273 652 A HA 0.762 5.082 4.320 0.000 0.000 0.315 652 A C -0.662 176.865 177.584 -0.094 0.000 1.256 652 A CA -0.492 51.597 52.037 0.088 0.000 0.851 652 A CB 0.957 20.076 19.000 0.198 0.000 1.172 652 A HN 0.442 nan 8.150 nan 0.000 0.508 653 V N 2.377 122.184 119.914 -0.179 0.000 2.347 653 V HA 0.551 4.671 4.120 0.000 0.000 0.280 653 V C 0.897 176.599 176.094 -0.654 0.000 1.021 653 V CA 0.423 62.385 62.300 -0.564 0.000 0.847 653 V CB 0.617 31.818 31.823 -1.037 0.000 0.990 653 V HN 2.068 nan 8.190 nan 0.000 0.444 654 A N 5.867 128.302 122.820 -0.641 0.000 2.610 654 A HA -0.094 4.226 4.320 0.000 0.000 0.299 654 A C -1.813 175.662 177.584 -0.183 0.000 1.487 654 A CA 0.271 51.875 52.037 -0.722 0.000 0.743 654 A CB -1.588 17.031 19.000 -0.635 0.000 1.070 654 A HN 0.607 nan 8.150 nan 0.000 0.439 655 P HA 0.399 nan 4.420 nan 0.000 0.278 655 P C 0.313 177.603 177.300 -0.017 0.000 1.238 655 P CA -0.094 63.008 63.100 0.004 0.000 0.794 655 P CB 1.197 32.922 31.700 0.043 0.000 0.955 656 V N 2.534 122.343 119.914 -0.174 0.000 2.715 656 V HA 0.045 4.165 4.120 0.000 0.000 0.299 656 V C 1.756 177.674 176.094 -0.293 0.000 1.054 656 V CA 1.148 63.200 62.300 -0.413 0.000 1.077 656 V CB 0.650 31.839 31.823 -1.056 0.000 0.972 656 V HN 0.846 nan 8.190 nan 0.000 0.484 657 S N 3.439 118.996 115.700 -0.238 0.000 2.619 657 S HA 0.257 4.727 4.470 0.000 0.000 0.238 657 S C 0.413 174.896 174.600 -0.195 0.000 1.068 657 S CA -0.358 57.785 58.200 -0.095 0.000 0.926 657 S CB 0.378 63.586 63.200 0.013 0.000 0.864 657 S HN 0.859 nan 8.310 nan 0.000 0.493 658 R N -1.121 119.161 120.500 -0.364 0.000 2.522 658 R HA 0.461 4.801 4.340 0.000 0.000 0.273 658 R C -0.909 175.111 176.300 -0.466 0.000 1.133 658 R CA -0.855 54.969 56.100 -0.460 0.000 0.969 658 R CB -0.329 29.728 30.300 -0.406 0.000 1.235 658 R HN 0.120 nan 8.270 nan 0.000 0.433 659 W N 1.535 122.767 121.300 -0.113 0.000 2.341 659 W HA -0.096 4.564 4.660 0.000 0.000 0.283 659 W C 1.159 177.792 176.519 0.191 0.000 1.215 659 W CA 1.174 58.538 57.345 0.030 0.000 1.211 659 W CB 0.122 29.564 29.460 -0.031 0.000 1.131 659 W HN 0.743 nan 8.180 nan 0.000 0.552 660 E N -1.051 119.307 120.200 0.264 0.000 2.265 660 E HA -0.216 4.134 4.350 0.000 0.000 0.196 660 E C 1.446 178.142 176.600 0.160 0.000 0.996 660 E CA 1.027 57.504 56.400 0.127 0.000 0.832 660 E CB -0.291 29.370 29.700 -0.064 0.000 0.756 660 E HN 0.389 nan 8.360 nan 0.000 0.491 661 Y N -1.408 118.984 120.300 0.154 0.000 2.475 661 Y HA 0.018 4.568 4.550 0.000 0.000 0.289 661 Y C 0.854 176.851 175.900 0.161 0.000 1.121 661 Y CA -0.159 58.005 58.100 0.107 0.000 1.257 661 Y CB -0.515 37.957 38.460 0.020 0.000 1.026 661 Y HN 0.027 nan 8.280 nan 0.000 0.555 662 Y N 2.137 122.589 120.300 0.253 0.000 2.295 662 Y HA 0.246 4.796 4.550 0.000 0.000 0.331 662 Y C 0.454 176.555 175.900 0.335 0.000 1.311 662 Y CA -1.915 56.339 58.100 0.256 0.000 1.430 662 Y CB 0.283 38.930 38.460 0.311 0.000 1.339 662 Y HN 0.218 nan 8.280 nan 0.000 0.552 663 D N -0.301 119.780 120.400 -0.533 0.000 2.368 663 D HA 0.083 4.723 4.640 0.000 0.000 0.240 663 D C 0.922 177.196 176.300 -0.043 0.000 1.169 663 D CA 0.394 54.168 54.000 -0.378 0.000 0.906 663 D CB 0.950 41.326 40.800 -0.707 0.000 1.187 663 D HN 0.478 nan 8.370 nan 0.000 0.435 664 S N 1.163 116.842 115.700 -0.035 0.000 2.345 664 S HA -0.181 4.289 4.470 0.000 0.000 0.219 664 S C 1.965 176.586 174.600 0.036 0.000 1.031 664 S CA 0.983 59.218 58.200 0.059 0.000 0.984 664 S CB -0.945 62.294 63.200 0.064 0.000 0.874 664 S HN 0.412 nan 8.310 nan 0.000 0.451 665 V N 1.005 120.882 119.914 -0.061 0.000 2.278 665 V HA -0.220 3.900 4.120 0.000 0.000 0.251 665 V C 2.294 178.296 176.094 -0.153 0.000 1.062 665 V CA 2.469 64.634 62.300 -0.225 0.000 1.038 665 V CB -1.025 30.521 31.823 -0.462 0.000 0.646 665 V HN 0.657 nan 8.190 nan 0.000 0.447 666 Y N 0.875 121.115 120.300 -0.101 0.000 2.130 666 Y HA -0.207 4.343 4.550 0.000 0.000 0.287 666 Y C 2.762 178.670 175.900 0.014 0.000 1.124 666 Y CA 2.323 60.436 58.100 0.021 0.000 1.118 666 Y CB -0.526 38.130 38.460 0.327 0.000 0.994 666 Y HN 0.188 nan 8.280 nan 0.000 0.497 667 T N 0.393 115.144 114.554 0.329 0.000 2.684 667 T HA -0.199 4.151 4.350 0.000 0.000 0.267 667 T C 1.542 176.206 174.700 -0.060 0.000 1.036 667 T CA 1.989 64.206 62.100 0.194 0.000 1.148 667 T CB -0.272 68.858 68.868 0.437 0.000 0.863 667 T HN 0.439 nan 8.240 nan 0.000 0.436 668 E N 0.410 120.598 120.200 -0.019 0.000 2.208 668 E HA -0.050 4.300 4.350 0.000 0.000 0.193 668 E C 2.302 178.767 176.600 -0.226 0.000 0.988 668 E CA 0.337 56.714 56.400 -0.039 0.000 0.828 668 E CB -0.091 29.633 29.700 0.041 0.000 0.763 668 E HN 0.333 nan 8.360 nan 0.000 0.478 669 R N 0.198 120.420 120.500 -0.464 0.000 2.133 669 R HA -0.224 4.116 4.340 0.000 0.000 0.247 669 R C 1.213 176.964 176.300 -0.915 0.000 1.151 669 R CA 1.720 57.346 56.100 -0.789 0.000 0.971 669 R CB -0.074 29.473 30.300 -1.256 0.000 0.866 669 R HN 0.237 nan 8.270 nan 0.000 0.447 670 Y N -2.104 117.880 120.300 -0.526 0.000 2.522 670 Y HA 0.227 4.777 4.550 0.000 0.000 0.277 670 Y C 1.799 177.499 175.900 -0.335 0.000 1.104 670 Y CA 0.099 57.892 58.100 -0.510 0.000 1.260 670 Y CB 0.376 38.422 38.460 -0.690 0.000 1.151 670 Y HN -0.032 nan 8.280 nan 0.000 0.539 671 M N -0.469 119.005 119.600 -0.211 0.000 2.308 671 M HA 0.357 4.837 4.480 0.000 0.000 0.269 671 M C 1.080 177.353 176.300 -0.045 0.000 1.040 671 M CA 0.777 55.934 55.300 -0.239 0.000 1.024 671 M CB -0.278 31.995 32.600 -0.544 0.000 1.465 671 M HN 0.340 nan 8.290 nan 0.000 0.517 672 G N 1.929 110.732 108.800 0.005 0.000 2.601 672 G HA2 -0.211 3.750 3.960 0.000 0.000 0.252 672 G HA3 -0.211 3.750 3.960 0.000 0.000 0.252 672 G C -0.518 174.500 174.900 0.197 0.000 1.294 672 G CA -0.801 44.343 45.100 0.073 0.000 0.912 672 G HN 0.228 nan 8.290 nan 0.000 0.574 673 L N 1.937 123.242 121.223 0.138 0.000 2.375 673 L HA 0.459 4.799 4.340 0.000 0.000 0.271 673 L C -1.391 175.485 176.870 0.011 0.000 1.107 673 L CA -2.035 52.849 54.840 0.072 0.000 0.806 673 L CB 0.692 42.759 42.059 0.013 0.000 1.146 673 L HN 0.460 nan 8.230 nan 0.000 0.447 674 P HA 0.098 nan 4.420 nan 0.000 0.220 674 P C -0.367 176.805 177.300 -0.213 0.000 1.806 674 P CA -0.095 62.651 63.100 -0.591 0.000 0.976 674 P CB -0.329 30.700 31.700 -1.119 0.000 1.952 675 T N -2.401 112.111 114.554 -0.070 0.000 2.930 675 T HA 0.511 4.861 4.350 0.000 0.000 0.290 675 T C -2.281 172.425 174.700 0.010 0.000 1.052 675 T CA -2.435 59.647 62.100 -0.030 0.000 1.017 675 T CB 1.890 70.746 68.868 -0.020 0.000 1.137 675 T HN -0.278 nan 8.240 nan 0.000 0.511 676 P HA -0.007 nan 4.420 nan 0.000 0.217 676 P C 0.893 178.211 177.300 0.030 0.000 1.150 676 P CA 0.971 64.086 63.100 0.026 0.000 0.832 676 P CB 0.013 31.723 31.700 0.017 0.000 0.787 677 E N -1.086 119.125 120.200 0.019 0.000 2.418 677 E HA -0.089 4.261 4.350 0.000 0.000 0.197 677 E C 1.275 177.890 176.600 0.024 0.000 1.026 677 E CA 0.772 57.182 56.400 0.018 0.000 0.862 677 E CB -0.399 29.306 29.700 0.009 0.000 0.799 677 E HN 0.336 nan 8.360 nan 0.000 0.518 678 D N -0.523 119.897 120.400 0.034 0.000 3.435 678 D HA 0.122 4.762 4.640 0.000 0.000 0.209 678 D C 0.100 176.444 176.300 0.073 0.000 1.157 678 D CA -0.199 53.827 54.000 0.044 0.000 1.322 678 D CB -0.019 40.807 40.800 0.043 0.000 0.924 678 D HN -0.017 nan 8.370 nan 0.000 0.180 679 N N 0.118 118.891 118.700 0.123 0.000 2.291 679 N HA 0.040 4.780 4.740 0.000 0.000 0.244 679 N C 1.377 177.085 175.510 0.332 0.000 1.216 679 N CA -0.135 53.024 53.050 0.181 0.000 0.879 679 N CB 0.671 39.234 38.487 0.127 0.000 1.167 679 N HN 0.028 nan 8.380 nan 0.000 0.515 680 L N 1.111 122.474 121.223 0.233 0.000 2.081 680 L HA -0.194 4.146 4.340 0.000 0.000 0.212 680 L C 1.443 178.455 176.870 0.236 0.000 1.080 680 L CA 1.929 56.893 54.840 0.206 0.000 0.754 680 L CB -0.489 41.606 42.059 0.060 0.000 0.893 680 L HN 0.205 nan 8.230 nan 0.000 0.433 681 D N -1.147 119.371 120.400 0.198 0.000 2.104 681 D HA -0.229 4.411 4.640 0.000 0.000 0.194 681 D C 2.009 178.393 176.300 0.140 0.000 0.994 681 D CA 1.781 55.866 54.000 0.141 0.000 0.830 681 D CB -0.312 40.554 40.800 0.111 0.000 0.959 681 D HN 0.606 nan 8.370 nan 0.000 0.452 682 H N -0.989 118.135 119.070 0.090 0.000 2.491 682 H HA -0.081 4.475 4.556 0.000 0.000 0.290 682 H C 1.899 177.263 175.328 0.059 0.000 1.050 682 H CA 0.603 56.675 56.048 0.039 0.000 1.309 682 H CB 0.093 29.837 29.762 -0.031 0.000 1.392 682 H HN 0.279 nan 8.280 nan 0.000 0.554 683 Y N 0.951 121.352 120.300 0.169 0.000 2.163 683 Y HA -0.161 4.389 4.550 0.000 0.000 0.288 683 Y C 2.683 178.642 175.900 0.098 0.000 1.136 683 Y CA 1.024 59.211 58.100 0.145 0.000 1.147 683 Y CB 0.071 38.593 38.460 0.104 0.000 0.987 683 Y HN -0.005 nan 8.280 nan 0.000 0.509 684 R N -0.166 120.468 120.500 0.223 0.000 2.075 684 R HA -0.146 4.194 4.340 0.000 0.000 0.232 684 R C 1.782 178.123 176.300 0.069 0.000 1.126 684 R CA 1.241 57.407 56.100 0.110 0.000 0.963 684 R CB -1.032 29.314 30.300 0.077 0.000 0.858 684 R HN 0.302 nan 8.270 nan 0.000 0.435 685 N N 0.981 119.710 118.700 0.048 0.000 2.443 685 N HA -0.102 4.638 4.740 0.000 0.000 0.184 685 N C 0.717 176.244 175.510 0.028 0.000 1.037 685 N CA 1.181 54.231 53.050 -0.001 0.000 0.896 685 N CB 0.056 38.488 38.487 -0.092 0.000 0.959 685 N HN 0.186 nan 8.380 nan 0.000 0.442 686 S N -1.626 114.128 115.700 0.091 0.000 2.588 686 S HA 0.141 4.611 4.470 0.000 0.000 0.245 686 S C 0.336 175.047 174.600 0.184 0.000 1.021 686 S CA -0.547 57.745 58.200 0.153 0.000 1.006 686 S CB -0.635 62.714 63.200 0.248 0.000 0.830 686 S HN 0.223 nan 8.310 nan 0.000 0.468 687 T N -1.527 113.085 114.554 0.097 0.000 2.899 687 T HA 0.517 4.867 4.350 0.000 0.000 0.284 687 T C 1.300 176.035 174.700 0.058 0.000 1.004 687 T CA -0.546 61.589 62.100 0.060 0.000 1.043 687 T CB 1.273 70.142 68.868 0.003 0.000 1.013 687 T HN -0.029 nan 8.240 nan 0.000 0.518 688 V N 1.917 121.861 119.914 0.051 0.000 2.379 688 V HA -0.120 4.000 4.120 0.000 0.000 0.245 688 V C 2.703 178.802 176.094 0.009 0.000 1.044 688 V CA 1.544 63.861 62.300 0.027 0.000 1.036 688 V CB -0.793 31.042 31.823 0.020 0.000 0.664 688 V HN 0.873 nan 8.190 nan 0.000 0.453 689 M N 1.050 120.639 119.600 -0.019 0.000 2.358 689 M HA -0.095 4.385 4.480 0.000 0.000 0.264 689 M C 2.245 178.540 176.300 -0.009 0.000 1.064 689 M CA 1.995 57.272 55.300 -0.038 0.000 1.093 689 M CB -2.011 30.570 32.600 -0.032 0.000 1.401 689 M HN 0.534 nan 8.290 nan 0.000 0.440 690 S N 0.972 116.678 115.700 0.010 0.000 2.447 690 S HA -0.054 4.416 4.470 0.000 0.000 0.233 690 S C 1.739 176.357 174.600 0.029 0.000 1.006 690 S CA 0.646 58.855 58.200 0.015 0.000 0.957 690 S CB -0.487 62.721 63.200 0.013 0.000 0.773 690 S HN 0.588 nan 8.310 nan 0.000 0.507 691 R N 0.784 121.319 120.500 0.058 0.000 2.388 691 R HA 0.491 4.831 4.340 0.000 0.000 0.247 691 R C 2.086 178.513 176.300 0.212 0.000 0.931 691 R CA 0.441 56.600 56.100 0.097 0.000 1.082 691 R CB -0.315 30.032 30.300 0.080 0.000 1.135 691 R HN 0.435 nan 8.270 nan 0.000 0.525 692 A N 1.474 124.370 122.820 0.126 0.000 1.903 692 A HA -0.314 4.006 4.320 0.000 0.000 0.219 692 A C 2.038 179.731 177.584 0.181 0.000 1.191 692 A CA 2.044 54.127 52.037 0.077 0.000 0.638 692 A CB -0.334 18.634 19.000 -0.053 0.000 0.823 692 A HN 0.309 nan 8.150 nan 0.000 0.451 693 E N 0.497 120.763 120.200 0.111 0.000 2.097 693 E HA -0.207 4.143 4.350 0.000 0.000 0.196 693 E C 1.570 178.232 176.600 0.104 0.000 1.000 693 E CA 1.975 58.429 56.400 0.091 0.000 0.804 693 E CB -0.563 29.169 29.700 0.053 0.000 0.740 693 E HN 0.801 nan 8.360 nan 0.000 0.454 694 N N -1.260 117.493 118.700 0.089 0.000 2.550 694 N HA -0.047 4.693 4.740 0.000 0.000 0.186 694 N C 0.757 176.244 175.510 -0.039 0.000 1.110 694 N CA 0.108 53.157 53.050 -0.002 0.000 0.912 694 N CB -0.093 38.338 38.487 -0.094 0.000 0.968 694 N HN 0.154 nan 8.380 nan 0.000 0.448 695 F N 1.393 121.310 119.950 -0.056 0.000 2.661 695 F HA 0.057 4.584 4.527 0.000 0.000 0.298 695 F C 1.872 177.681 175.800 0.015 0.000 1.137 695 F CA 0.526 58.489 58.000 -0.062 0.000 1.454 695 F CB 0.105 39.031 39.000 -0.123 0.000 1.103 695 F HN -0.079 nan 8.300 nan 0.000 0.577 696 K N 0.149 120.654 120.400 0.176 0.000 2.362 696 K HA -0.228 4.092 4.320 0.000 0.000 0.202 696 K C 1.147 177.810 176.600 0.106 0.000 1.045 696 K CA 1.232 57.600 56.287 0.135 0.000 0.936 696 K CB -0.281 32.277 32.500 0.098 0.000 0.747 696 K HN 0.439 nan 8.250 nan 0.000 0.467 697 Q N 0.165 120.008 119.800 0.072 0.000 2.247 697 Q HA 0.069 4.409 4.340 0.000 0.000 0.204 697 Q C -0.074 175.969 176.000 0.073 0.000 0.872 697 Q CA -0.262 55.574 55.803 0.056 0.000 0.951 697 Q CB 1.027 29.777 28.738 0.021 0.000 1.099 697 Q HN 0.122 nan 8.270 nan 0.000 0.501 698 V N -3.690 116.288 119.914 0.107 0.000 3.130 698 V HA 0.514 4.634 4.120 0.000 0.000 0.310 698 V C -1.283 174.955 176.094 0.240 0.000 1.158 698 V CA -1.259 61.129 62.300 0.146 0.000 1.029 698 V CB 2.438 34.310 31.823 0.082 0.000 1.057 698 V HN -0.029 nan 8.190 nan 0.000 0.436 699 E N 1.784 122.156 120.200 0.286 0.000 2.115 699 E HA 0.431 4.781 4.350 0.000 0.000 0.282 699 E C -1.819 175.131 176.600 0.584 0.000 0.987 699 E CA -0.381 56.254 56.400 0.391 0.000 0.797 699 E CB 1.487 31.365 29.700 0.298 0.000 1.086 699 E HN 0.656 nan 8.360 nan 0.000 0.397 700 Y N 3.637 124.177 120.300 0.400 0.000 2.377 700 Y HA 0.424 4.974 4.550 0.000 0.000 0.339 700 Y C -1.276 174.727 175.900 0.172 0.000 1.011 700 Y CA -1.361 56.927 58.100 0.313 0.000 1.093 700 Y CB 0.886 39.546 38.460 0.335 0.000 1.201 700 Y HN 0.411 nan 8.280 nan 0.000 0.455 701 L N 7.942 128.953 121.223 -0.353 0.000 2.343 701 L HA 0.467 4.807 4.340 0.000 0.000 0.278 701 L C -1.720 174.754 176.870 -0.660 0.000 0.996 701 L CA -0.723 53.758 54.840 -0.598 0.000 0.831 701 L CB 1.227 42.656 42.059 -1.051 0.000 1.232 701 L HN 0.622 nan 8.230 nan 0.000 0.413 702 L N 6.381 127.294 121.223 -0.517 0.000 2.313 702 L HA 0.609 4.949 4.340 0.000 0.000 0.283 702 L C -0.887 175.884 176.870 -0.166 0.000 1.013 702 L CA -0.533 54.064 54.840 -0.404 0.000 0.816 702 L CB 1.751 43.620 42.059 -0.318 0.000 1.236 702 L HN 0.587 nan 8.230 nan 0.000 0.419 703 I N 3.199 123.685 120.570 -0.141 0.000 2.582 703 I HA 0.414 4.584 4.170 0.000 0.000 0.292 703 I C -1.210 174.902 176.117 -0.009 0.000 1.066 703 I CA -0.747 60.529 61.300 -0.040 0.000 1.053 703 I CB 2.344 40.291 38.000 -0.087 0.000 1.241 703 I HN 0.615 nan 8.210 nan 0.000 0.421 704 H N 2.163 121.290 119.070 0.094 0.000 3.086 704 H HA 0.491 5.047 4.556 0.000 0.000 0.353 704 H C -0.295 175.272 175.328 0.398 0.000 1.134 704 H CA -0.521 55.617 56.048 0.150 0.000 1.248 704 H CB 2.125 31.885 29.762 -0.003 0.000 1.878 704 H HN 0.790 nan 8.280 nan 0.000 0.527 705 G N 1.028 110.147 108.800 0.531 0.000 2.403 705 G HA2 0.194 4.154 3.960 0.000 0.000 0.259 705 G HA3 0.194 4.154 3.960 0.000 0.000 0.259 705 G C 1.160 176.355 174.900 0.491 0.000 1.244 705 G CA 0.162 45.548 45.100 0.477 0.000 0.849 705 G HN 0.754 nan 8.290 nan 0.000 0.532 706 T N -0.704 113.991 114.554 0.234 0.000 2.995 706 T HA 0.101 4.451 4.350 0.000 0.000 0.269 706 T C 1.695 176.357 174.700 -0.063 0.000 1.091 706 T CA 1.268 63.302 62.100 -0.110 0.000 1.128 706 T CB 0.145 68.883 68.868 -0.217 0.000 0.891 706 T HN 0.699 nan 8.240 nan 0.000 0.492 707 A N 1.108 123.969 122.820 0.068 0.000 2.684 707 A HA 0.314 4.634 4.320 0.000 0.000 0.288 707 A C 0.313 177.854 177.584 -0.071 0.000 1.337 707 A CA -0.531 51.505 52.037 -0.003 0.000 0.946 707 A CB -0.367 18.891 19.000 0.430 0.000 1.093 707 A HN 0.383 nan 8.150 nan 0.000 0.543 708 D N 1.497 121.888 120.400 -0.015 0.000 2.346 708 D HA 0.011 4.651 4.640 0.000 0.000 0.260 708 D C 0.219 176.481 176.300 -0.064 0.000 1.252 708 D CA 0.162 54.249 54.000 0.144 0.000 0.895 708 D CB 0.767 41.819 40.800 0.420 0.000 1.097 708 D HN 0.566 nan 8.370 nan 0.000 0.489 709 D N 2.071 122.487 120.400 0.027 0.000 2.350 709 D HA -0.079 4.561 4.640 0.000 0.000 0.213 709 D C 0.958 177.263 176.300 0.009 0.000 1.031 709 D CA 0.032 54.006 54.000 -0.044 0.000 0.861 709 D CB 0.282 41.000 40.800 -0.136 0.000 0.926 709 D HN 0.420 nan 8.370 nan 0.000 0.520 710 N N 0.072 118.859 118.700 0.146 0.000 2.426 710 N HA -0.014 4.726 4.740 0.000 0.000 0.205 710 N C -0.210 175.272 175.510 -0.047 0.000 1.040 710 N CA 0.116 53.273 53.050 0.179 0.000 0.990 710 N CB 0.778 39.348 38.487 0.138 0.000 1.215 710 N HN -0.191 nan 8.380 nan 0.000 0.491 711 V N 2.610 122.519 119.914 -0.008 0.000 2.304 711 V HA 0.194 4.314 4.120 0.000 0.000 0.262 711 V C -0.796 175.400 176.094 0.170 0.000 1.061 711 V CA -0.290 62.053 62.300 0.073 0.000 0.872 711 V CB -0.270 31.640 31.823 0.146 0.000 1.077 711 V HN 0.335 nan 8.190 nan 0.000 0.480 712 H N 2.858 121.933 119.070 0.009 0.000 2.852 712 H HA -0.005 4.551 4.556 0.000 0.000 0.362 712 H C 0.814 176.024 175.328 -0.198 0.000 1.122 712 H CA -0.072 55.901 56.048 -0.124 0.000 1.419 712 H CB 0.831 30.431 29.762 -0.270 0.000 1.401 712 H HN 0.579 nan 8.280 nan 0.000 0.609 713 F N 1.679 121.459 119.950 -0.284 0.000 2.120 713 F HA -0.319 4.208 4.527 0.000 0.000 0.300 713 F C 2.669 178.195 175.800 -0.457 0.000 1.095 713 F CA 1.934 59.565 58.000 -0.615 0.000 1.249 713 F CB -0.256 38.543 39.000 -0.335 0.000 0.995 713 F HN 0.686 nan 8.300 nan 0.000 0.480 714 Q N 0.088 119.771 119.800 -0.194 0.000 2.188 714 Q HA -0.377 3.963 4.340 0.000 0.000 0.217 714 Q C 2.118 177.867 176.000 -0.419 0.000 1.018 714 Q CA 2.704 58.323 55.803 -0.307 0.000 0.910 714 Q CB -0.417 28.100 28.738 -0.367 0.000 0.979 714 Q HN 0.600 nan 8.270 nan 0.000 0.413 715 Q N -0.385 119.199 119.800 -0.360 0.000 2.030 715 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 715 Q C 2.367 178.249 176.000 -0.197 0.000 0.986 715 Q CA 1.826 57.524 55.803 -0.174 0.000 0.843 715 Q CB -0.247 28.476 28.738 -0.025 0.000 0.904 715 Q HN 0.360 nan 8.270 nan 0.000 0.420 716 S N 0.900 116.388 115.700 -0.354 0.000 2.383 716 S HA -0.096 4.375 4.470 0.000 0.000 0.227 716 S C 2.090 176.456 174.600 -0.390 0.000 1.026 716 S CA 0.914 58.906 58.200 -0.346 0.000 0.981 716 S CB -0.249 62.700 63.200 -0.418 0.000 0.818 716 S HN 0.496 nan 8.310 nan 0.000 0.472 717 A N 1.222 123.717 122.820 -0.541 0.000 1.940 717 A HA -0.154 4.166 4.320 0.000 0.000 0.219 717 A C 2.135 179.626 177.584 -0.156 0.000 1.176 717 A CA 1.231 53.089 52.037 -0.299 0.000 0.631 717 A CB -0.431 18.451 19.000 -0.198 0.000 0.814 717 A HN 0.363 nan 8.150 nan 0.000 0.446 718 Q N -0.517 119.191 119.800 -0.153 0.000 2.187 718 Q HA 0.007 4.347 4.340 0.000 0.000 0.199 718 Q C 2.138 178.096 176.000 -0.069 0.000 0.957 718 Q CA 0.931 56.695 55.803 -0.065 0.000 0.857 718 Q CB -0.297 28.454 28.738 0.021 0.000 0.929 718 Q HN 0.785 nan 8.270 nan 0.000 0.453 719 I N 1.011 121.516 120.570 -0.108 0.000 2.142 719 I HA -0.312 3.859 4.170 0.000 0.000 0.240 719 I C 2.593 178.570 176.117 -0.232 0.000 1.078 719 I CA 1.570 62.768 61.300 -0.170 0.000 1.343 719 I CB -0.563 37.335 38.000 -0.171 0.000 1.046 719 I HN 0.201 nan 8.210 nan 0.000 0.405 720 S N 0.994 116.581 115.700 -0.188 0.000 2.370 720 S HA -0.311 4.159 4.470 0.000 0.000 0.226 720 S C 2.079 176.670 174.600 -0.015 0.000 1.033 720 S CA 1.772 59.906 58.200 -0.110 0.000 1.011 720 S CB -0.482 62.787 63.200 0.115 0.000 0.852 720 S HN 0.382 nan 8.310 nan 0.000 0.457 721 K N 1.449 121.838 120.400 -0.018 0.000 2.057 721 K HA 0.000 4.320 4.320 0.000 0.000 0.207 721 K C 2.359 178.948 176.600 -0.018 0.000 1.049 721 K CA 1.201 57.490 56.287 0.004 0.000 0.931 721 K CB -0.731 31.766 32.500 -0.004 0.000 0.714 721 K HN 0.478 nan 8.250 nan 0.000 0.440 722 A N 1.137 123.919 122.820 -0.064 0.000 1.908 722 A HA -0.140 4.180 4.320 0.000 0.000 0.218 722 A C 2.095 179.623 177.584 -0.093 0.000 1.181 722 A CA 1.413 53.406 52.037 -0.074 0.000 0.627 722 A CB -0.628 18.312 19.000 -0.099 0.000 0.818 722 A HN 0.327 nan 8.150 nan 0.000 0.445 723 L N -0.735 120.382 121.223 -0.177 0.000 2.093 723 L HA -0.127 4.213 4.340 0.000 0.000 0.208 723 L C 2.489 179.376 176.870 0.028 0.000 1.085 723 L CA 0.855 55.591 54.840 -0.172 0.000 0.755 723 L CB -0.575 41.198 42.059 -0.477 0.000 0.904 723 L HN 0.238 nan 8.230 nan 0.000 0.435 724 V N -0.177 119.794 119.914 0.095 0.000 2.358 724 V HA -0.266 3.854 4.120 0.000 0.000 0.246 724 V C 1.943 178.083 176.094 0.077 0.000 1.047 724 V CA 1.781 64.166 62.300 0.141 0.000 1.035 724 V CB -0.459 31.448 31.823 0.139 0.000 0.658 724 V HN 0.425 nan 8.190 nan 0.000 0.452 725 D N -0.417 120.009 120.400 0.044 0.000 2.310 725 D HA -0.067 4.573 4.640 0.000 0.000 0.212 725 D C 1.688 178.007 176.300 0.032 0.000 0.965 725 D CA 0.855 54.874 54.000 0.032 0.000 0.879 725 D CB 0.254 41.065 40.800 0.018 0.000 0.921 725 D HN 0.359 nan 8.370 nan 0.000 0.510 726 V N -0.612 119.323 119.914 0.035 0.000 3.578 726 V HA 0.224 4.344 4.120 0.000 0.000 0.290 726 V C 1.338 177.466 176.094 0.057 0.000 1.376 726 V CA 0.587 62.910 62.300 0.039 0.000 1.083 726 V CB 0.428 32.269 31.823 0.029 0.000 0.911 726 V HN 0.298 nan 8.190 nan 0.000 0.433 727 G N 1.015 109.857 108.800 0.071 0.000 2.198 727 G HA2 -0.205 3.755 3.960 0.000 0.000 0.257 727 G HA3 -0.205 3.755 3.960 0.000 0.000 0.257 727 G C 0.056 175.023 174.900 0.112 0.000 1.042 727 G CA 0.298 45.449 45.100 0.084 0.000 0.791 727 G HN 0.402 nan 8.290 nan 0.000 0.502 728 V N 0.172 120.172 119.914 0.143 0.000 2.509 728 V HA 0.505 4.625 4.120 0.000 0.000 0.284 728 V C 0.475 176.751 176.094 0.303 0.000 1.047 728 V CA -0.536 61.879 62.300 0.192 0.000 0.952 728 V CB 1.779 33.703 31.823 0.167 0.000 0.988 728 V HN 0.364 nan 8.190 nan 0.000 0.469 729 D N 3.008 123.575 120.400 0.277 0.000 2.264 729 D HA 0.690 5.330 4.640 0.000 0.000 0.249 729 D C -0.617 175.953 176.300 0.451 0.000 1.070 729 D CA 0.224 54.390 54.000 0.276 0.000 0.912 729 D CB 1.015 41.904 40.800 0.148 0.000 1.193 729 D HN 0.372 nan 8.370 nan 0.000 0.427 730 F N -0.762 119.263 119.950 0.125 0.000 2.926 730 F HA 0.366 4.893 4.527 0.000 0.000 0.321 730 F C -1.937 173.914 175.800 0.084 0.000 1.168 730 F CA -1.179 56.910 58.000 0.149 0.000 0.890 730 F CB 0.616 39.724 39.000 0.180 0.000 1.357 730 F HN 0.228 nan 8.300 nan 0.000 0.468 731 Q N 2.117 121.932 119.800 0.026 0.000 2.337 731 Q HA 0.846 5.186 4.340 0.000 0.000 0.266 731 Q C -1.296 174.689 176.000 -0.025 0.000 1.023 731 Q CA -0.800 54.917 55.803 -0.143 0.000 0.829 731 Q CB 2.443 31.163 28.738 -0.030 0.000 1.306 731 Q HN 1.171 nan 8.270 nan 0.000 0.449 732 A N 2.570 125.344 122.820 -0.078 0.000 2.269 732 A HA 0.856 5.176 4.320 0.000 0.000 0.327 732 A C -0.646 176.925 177.584 -0.020 0.000 1.112 732 A CA -0.713 51.355 52.037 0.051 0.000 0.865 732 A CB 1.310 20.407 19.000 0.162 0.000 1.227 732 A HN 0.804 nan 8.150 nan 0.000 0.498 733 M N 0.814 120.412 119.600 -0.004 0.000 2.310 733 M HA 0.443 4.923 4.480 0.000 0.000 0.242 733 M C -1.617 174.651 176.300 -0.054 0.000 1.000 733 M CA -0.340 54.851 55.300 -0.181 0.000 0.970 733 M CB 0.872 33.335 32.600 -0.228 0.000 2.191 733 M HN 0.879 nan 8.290 nan 0.000 0.470 734 W N 4.232 125.440 121.300 -0.153 0.000 2.332 734 W HA 0.786 5.446 4.660 0.000 0.000 0.351 734 W C -1.841 174.473 176.519 -0.342 0.000 1.195 734 W CA -0.631 56.693 57.345 -0.035 0.000 1.334 734 W CB 0.387 29.860 29.460 0.022 0.000 1.206 734 W HN 0.607 nan 8.180 nan 0.000 0.637 735 Y N 1.668 122.131 120.300 0.271 0.000 2.402 735 Y HA 0.267 4.817 4.550 0.000 0.000 0.325 735 Y C 0.278 176.305 175.900 0.211 0.000 1.009 735 Y CA -1.144 57.015 58.100 0.098 0.000 1.278 735 Y CB 1.417 39.898 38.460 0.034 0.000 1.105 735 Y HN 0.410 nan 8.280 nan 0.000 0.476 736 T N 4.705 119.438 114.554 0.299 0.000 2.822 736 T HA -0.034 4.316 4.350 0.000 0.000 0.288 736 T C 0.226 175.012 174.700 0.144 0.000 0.991 736 T CA 0.865 63.096 62.100 0.219 0.000 1.176 736 T CB -0.155 68.781 68.868 0.114 0.000 0.951 736 T HN 0.714 nan 8.240 nan 0.000 0.526 737 D N 0.805 121.269 120.400 0.106 0.000 3.059 737 D HA -0.125 4.515 4.640 0.000 0.000 0.213 737 D C 0.382 176.811 176.300 0.215 0.000 1.144 737 D CA 1.143 55.156 54.000 0.022 0.000 0.975 737 D CB -0.352 40.270 40.800 -0.297 0.000 1.125 737 D HN 0.553 nan 8.370 nan 0.000 0.412 738 E N 0.889 121.229 120.200 0.234 0.000 2.349 738 E HA 0.309 4.659 4.350 0.000 0.000 0.265 738 E C 0.827 177.593 176.600 0.276 0.000 1.064 738 E CA -0.130 56.419 56.400 0.247 0.000 0.886 738 E CB 1.087 30.920 29.700 0.221 0.000 1.036 738 E HN 0.368 nan 8.360 nan 0.000 0.413 739 D N -0.599 119.970 120.400 0.282 0.000 2.570 739 D HA 0.014 4.654 4.640 0.000 0.000 0.266 739 D C 1.020 177.519 176.300 0.332 0.000 1.182 739 D CA -0.228 53.960 54.000 0.314 0.000 1.088 739 D CB -0.283 40.728 40.800 0.352 0.000 1.186 739 D HN 0.416 nan 8.370 nan 0.000 0.618 740 H N -1.460 117.776 119.070 0.276 0.000 2.491 740 H HA 0.141 4.697 4.556 0.000 0.000 0.290 740 H C 1.893 177.459 175.328 0.396 0.000 1.050 740 H CA 2.052 58.285 56.048 0.310 0.000 1.309 740 H CB -0.365 29.573 29.762 0.294 0.000 1.392 740 H HN 0.483 nan 8.280 nan 0.000 0.554 741 G N 0.075 109.038 108.800 0.271 0.000 2.511 741 G HA2 -0.058 3.902 3.960 0.000 0.000 0.217 741 G HA3 -0.058 3.902 3.960 0.000 0.000 0.217 741 G C 0.763 175.823 174.900 0.265 0.000 1.133 741 G CA 0.350 45.548 45.100 0.164 0.000 0.792 741 G HN 0.539 nan 8.290 nan 0.000 0.539 742 I N 0.156 120.891 120.570 0.276 0.000 5.158 742 I HA -0.335 3.835 4.170 0.000 0.000 0.126 742 I C 1.560 177.767 176.117 0.151 0.000 1.344 742 I CA 0.252 61.654 61.300 0.169 0.000 2.637 742 I CB -1.226 36.819 38.000 0.074 0.000 2.338 742 I HN 0.291 nan 8.210 nan 0.000 0.320 743 A N 0.889 123.785 122.820 0.128 0.000 2.390 743 A HA 0.240 4.560 4.320 0.000 0.000 0.232 743 A C 1.198 178.819 177.584 0.062 0.000 1.233 743 A CA 0.589 52.670 52.037 0.073 0.000 0.907 743 A CB 0.201 19.222 19.000 0.035 0.000 0.967 743 A HN 0.629 nan 8.150 nan 0.000 0.512 744 S N -0.268 115.487 115.700 0.092 0.000 2.576 744 S HA 0.155 4.625 4.470 0.000 0.000 0.272 744 S C 1.276 175.929 174.600 0.088 0.000 1.352 744 S CA 0.406 58.658 58.200 0.086 0.000 1.021 744 S CB 1.021 64.281 63.200 0.101 0.000 0.887 744 S HN 0.544 nan 8.310 nan 0.000 0.542 745 S N 1.717 117.459 115.700 0.070 0.000 2.359 745 S HA -0.188 4.282 4.470 0.000 0.000 0.223 745 S C 2.065 176.725 174.600 0.100 0.000 1.039 745 S CA 2.331 60.576 58.200 0.075 0.000 1.042 745 S CB -1.620 61.608 63.200 0.047 0.000 0.915 745 S HN 1.077 nan 8.310 nan 0.000 0.439 746 T N -0.752 113.850 114.554 0.080 0.000 2.985 746 T HA 0.309 4.659 4.350 0.000 0.000 0.266 746 T C 1.912 176.669 174.700 0.096 0.000 1.076 746 T CA 1.082 63.229 62.100 0.078 0.000 1.135 746 T CB -0.647 68.258 68.868 0.062 0.000 0.890 746 T HN 0.456 nan 8.240 nan 0.000 0.480 747 A N 1.592 124.460 122.820 0.080 0.000 1.872 747 A HA -0.039 4.281 4.320 0.000 0.000 0.214 747 A C 2.190 179.764 177.584 -0.016 0.000 1.187 747 A CA 1.838 53.882 52.037 0.012 0.000 0.614 747 A CB -1.274 17.704 19.000 -0.037 0.000 0.826 747 A HN 0.716 nan 8.150 nan 0.000 0.442 748 H N -0.239 118.819 119.070 -0.021 0.000 2.319 748 H HA -0.190 4.366 4.556 0.000 0.000 0.297 748 H C 2.092 177.463 175.328 0.073 0.000 1.097 748 H CA 2.456 58.526 56.048 0.038 0.000 1.285 748 H CB -0.311 29.479 29.762 0.046 0.000 1.368 748 H HN 0.549 nan 8.280 nan 0.000 0.495 749 Q N -1.121 118.624 119.800 -0.092 0.000 2.084 749 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 749 Q C 2.307 178.269 176.000 -0.064 0.000 0.978 749 Q CA 1.588 57.308 55.803 -0.139 0.000 0.844 749 Q CB -0.194 28.522 28.738 -0.037 0.000 0.898 749 Q HN 0.629 nan 8.270 nan 0.000 0.426 750 H N 0.034 119.063 119.070 -0.067 0.000 2.357 750 H HA -0.083 4.473 4.556 0.000 0.000 0.301 750 H C 2.046 177.365 175.328 -0.015 0.000 1.082 750 H CA 1.438 57.480 56.048 -0.009 0.000 1.342 750 H CB 0.019 29.827 29.762 0.077 0.000 1.389 750 H HN 0.316 nan 8.280 nan 0.000 0.511 751 I N -0.009 120.556 120.570 -0.009 0.000 2.202 751 I HA -0.301 3.869 4.170 0.000 0.000 0.242 751 I C 1.867 177.800 176.117 -0.307 0.000 1.091 751 I CA 1.088 62.292 61.300 -0.161 0.000 1.368 751 I CB -0.286 37.421 38.000 -0.488 0.000 1.058 751 I HN 0.089 nan 8.210 nan 0.000 0.410 752 Y N 1.093 121.216 120.300 -0.295 0.000 2.224 752 Y HA -0.233 4.317 4.550 0.000 0.000 0.289 752 Y C 2.725 178.487 175.900 -0.231 0.000 1.146 752 Y CA 1.937 59.769 58.100 -0.447 0.000 1.182 752 Y CB -1.062 37.106 38.460 -0.486 0.000 0.983 752 Y HN 0.178 nan 8.280 nan 0.000 0.524 753 T N -1.560 112.974 114.554 -0.033 0.000 2.674 753 T HA -0.267 4.083 4.350 0.000 0.000 0.265 753 T C 1.621 176.342 174.700 0.035 0.000 1.039 753 T CA 1.987 64.080 62.100 -0.011 0.000 1.150 753 T CB -0.546 68.260 68.868 -0.104 0.000 0.864 753 T HN 0.425 nan 8.240 nan 0.000 0.427 754 H N 0.348 119.344 119.070 -0.123 0.000 2.387 754 H HA 0.097 4.653 4.556 0.000 0.000 0.299 754 H C 2.169 177.523 175.328 0.042 0.000 1.090 754 H CA 1.541 57.550 56.048 -0.065 0.000 1.332 754 H CB -0.246 29.476 29.762 -0.066 0.000 1.386 754 H HN 0.260 nan 8.280 nan 0.000 0.516 755 M N -0.975 118.602 119.600 -0.040 0.000 2.099 755 M HA -0.153 4.327 4.480 0.000 0.000 0.262 755 M C 2.493 178.942 176.300 0.248 0.000 1.067 755 M CA 1.558 56.835 55.300 -0.038 0.000 1.124 755 M CB 0.101 32.481 32.600 -0.366 0.000 1.353 755 M HN 0.177 nan 8.290 nan 0.000 0.410 756 S N -0.701 115.225 115.700 0.376 0.000 2.359 756 S HA -0.277 4.193 4.470 0.000 0.000 0.223 756 S C 1.765 176.539 174.600 0.291 0.000 1.039 756 S CA 2.001 60.510 58.200 0.515 0.000 1.042 756 S CB -0.760 62.760 63.200 0.533 0.000 0.915 756 S HN 0.586 nan 8.310 nan 0.000 0.439 757 H N 0.239 119.385 119.070 0.127 0.000 2.353 757 H HA -0.158 4.398 4.556 0.000 0.000 0.298 757 H C 1.907 177.249 175.328 0.023 0.000 1.103 757 H CA 2.007 58.086 56.048 0.052 0.000 1.293 757 H CB -0.396 29.368 29.762 0.002 0.000 1.372 757 H HN 0.403 nan 8.280 nan 0.000 0.501 758 F N 0.377 120.329 119.950 0.004 0.000 2.134 758 F HA -0.182 4.345 4.527 0.000 0.000 0.299 758 F C 2.082 177.815 175.800 -0.111 0.000 1.097 758 F CA 1.269 59.231 58.000 -0.064 0.000 1.264 758 F CB -0.236 38.699 39.000 -0.109 0.000 1.001 758 F HN 0.196 nan 8.300 nan 0.000 0.479 759 I N 0.746 121.315 120.570 -0.001 0.000 2.202 759 I HA -0.249 3.921 4.170 0.000 0.000 0.242 759 I C 2.284 178.174 176.117 -0.377 0.000 1.091 759 I CA 1.379 62.513 61.300 -0.276 0.000 1.368 759 I CB -1.037 36.887 38.000 -0.126 0.000 1.058 759 I HN 0.208 nan 8.210 nan 0.000 0.410 760 K N 0.216 120.511 120.400 -0.176 0.000 2.032 760 K HA -0.255 4.065 4.320 0.000 0.000 0.209 760 K C 2.015 178.521 176.600 -0.157 0.000 1.048 760 K CA 1.464 57.686 56.287 -0.108 0.000 0.927 760 K CB -0.320 32.130 32.500 -0.083 0.000 0.712 760 K HN 0.400 nan 8.250 nan 0.000 0.441 761 Q N 0.428 120.055 119.800 -0.289 0.000 2.084 761 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 761 Q C 2.318 178.182 176.000 -0.228 0.000 0.978 761 Q CA 1.478 57.119 55.803 -0.270 0.000 0.844 761 Q CB -0.119 28.419 28.738 -0.333 0.000 0.898 761 Q HN 0.404 nan 8.270 nan 0.000 0.426 762 c N -0.250 118.127 118.600 -0.372 0.000 2.446 762 c HA -0.022 4.548 4.570 0.000 0.000 0.279 762 c C 1.661 175.766 174.090 0.026 0.000 1.366 762 c CA 0.132 56.282 56.329 -0.298 0.000 1.763 762 c CB -1.008 41.151 42.510 -0.585 0.000 1.929 762 c HN 0.526 nan 8.230 nan 0.000 0.509 763 F N 1.618 121.503 119.950 -0.109 0.000 2.693 763 F HA 0.260 4.788 4.527 0.000 0.000 0.303 763 F C 1.614 177.380 175.800 -0.056 0.000 1.097 763 F CA 0.147 58.113 58.000 -0.056 0.000 1.330 763 F CB -1.217 37.762 39.000 -0.035 0.000 1.067 763 F HN 0.175 nan 8.300 nan 0.000 0.565 764 S N 0.883 116.642 115.700 0.098 0.000 3.614 764 S HA -0.197 4.273 4.470 0.000 0.000 0.360 764 S C 0.102 174.720 174.600 0.029 0.000 1.023 764 S CA 0.015 58.235 58.200 0.033 0.000 1.114 764 S CB -1.698 61.515 63.200 0.023 0.000 0.907 764 S HN 0.074 nan 8.310 nan 0.000 0.470 765 L N 1.930 123.176 121.223 0.038 0.000 2.399 765 L HA 0.635 4.975 4.340 0.000 0.000 0.265 765 L C -0.692 176.179 176.870 0.001 0.000 1.089 765 L CA -1.410 53.448 54.840 0.029 0.000 0.802 765 L CB -0.290 41.803 42.059 0.057 0.000 1.180 765 L HN 0.097 nan 8.230 nan 0.000 0.454 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.106 63.100 0.010 0.000 0.800 766 P CB 0.000 31.709 31.700 0.015 0.000 0.726