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 1w1i_1_C 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 0.000 174.655 174.600 0.092 0.000 1.055 39 S CA 0.000 58.280 58.200 0.134 0.000 1.107 39 S CB 0.000 63.285 63.200 0.143 0.000 0.593 40 R N 2.622 123.177 120.500 0.093 0.000 2.942 40 R HA 0.644 4.984 4.340 0.000 0.000 0.212 40 R C 0.076 176.427 176.300 0.084 0.000 1.562 40 R CA -1.079 55.069 56.100 0.080 0.000 0.941 40 R CB -0.002 30.344 30.300 0.077 0.000 2.365 40 R HN 0.799 nan 8.270 nan 0.000 0.524 41 K N 0.491 120.946 120.400 0.091 0.000 2.138 41 K HA 0.277 4.597 4.320 0.000 0.000 0.251 41 K C -0.412 176.252 176.600 0.107 0.000 1.015 41 K CA -0.535 55.813 56.287 0.102 0.000 0.917 41 K CB 0.874 33.444 32.500 0.117 0.000 1.021 41 K HN 0.620 nan 8.250 nan 0.000 0.485 42 T N -2.009 112.615 114.554 0.117 0.000 2.937 42 T HA 0.166 4.516 4.350 0.000 0.000 0.283 42 T C -0.738 174.078 174.700 0.193 0.000 1.012 42 T CA -0.778 61.399 62.100 0.128 0.000 0.997 42 T CB 0.474 69.407 68.868 0.108 0.000 1.136 42 T HN 0.523 nan 8.240 nan 0.000 0.551 43 Y N 2.593 122.936 120.300 0.072 0.000 2.539 43 Y HA 0.377 4.927 4.550 0.000 0.000 0.352 43 Y C 0.926 176.972 175.900 0.243 0.000 1.004 43 Y CA -0.346 57.830 58.100 0.127 0.000 1.278 43 Y CB -0.281 38.206 38.460 0.045 0.000 1.136 43 Y HN 0.984 nan 8.280 nan 0.000 0.528 44 T N 2.424 116.958 114.554 -0.034 0.000 2.912 44 T HA 0.166 4.516 4.350 0.000 0.000 0.280 44 T C 0.966 175.597 174.700 -0.115 0.000 0.989 44 T CA -0.843 61.310 62.100 0.088 0.000 0.995 44 T CB 1.304 70.195 68.868 0.038 0.000 1.077 44 T HN 0.637 nan 8.240 nan 0.000 0.531 45 L N 1.178 122.184 121.223 -0.362 0.000 2.079 45 L HA -0.004 4.336 4.340 0.000 0.000 0.210 45 L C 2.584 179.298 176.870 -0.260 0.000 1.081 45 L CA 2.120 56.557 54.840 -0.672 0.000 0.752 45 L CB -1.468 40.068 42.059 -0.872 0.000 0.896 45 L HN 0.962 nan 8.230 nan 0.000 0.433 46 T N -0.683 113.761 114.554 -0.183 0.000 2.867 46 T HA -0.140 4.210 4.350 0.000 0.000 0.268 46 T C 1.463 176.087 174.700 -0.126 0.000 1.057 46 T CA 1.323 63.348 62.100 -0.125 0.000 1.136 46 T CB -0.304 68.516 68.868 -0.081 0.000 0.874 46 T HN 0.401 nan 8.240 nan 0.000 0.466 47 D N 0.151 120.445 120.400 -0.175 0.000 2.123 47 D HA -0.093 4.547 4.640 0.000 0.000 0.196 47 D C 1.721 177.959 176.300 -0.103 0.000 0.992 47 D CA 1.031 54.916 54.000 -0.191 0.000 0.833 47 D CB -0.319 40.252 40.800 -0.381 0.000 0.954 47 D HN 0.397 nan 8.370 nan 0.000 0.455 48 Y N 1.478 121.599 120.300 -0.297 0.000 2.133 48 Y HA -0.091 4.459 4.550 0.000 0.000 0.287 48 Y C 2.216 178.123 175.900 0.011 0.000 1.134 48 Y CA 1.199 59.289 58.100 -0.017 0.000 1.133 48 Y CB -0.667 37.818 38.460 0.042 0.000 0.987 48 Y HN -0.108 nan 8.280 nan 0.000 0.502 49 L N -0.162 120.907 121.223 -0.258 0.000 2.056 49 L HA -0.163 4.177 4.340 0.000 0.000 0.207 49 L C 2.221 178.992 176.870 -0.164 0.000 1.078 49 L CA 1.330 55.975 54.840 -0.324 0.000 0.749 49 L CB -0.481 41.445 42.059 -0.222 0.000 0.901 49 L HN 0.023 nan 8.230 nan 0.000 0.433 50 K N -0.035 120.300 120.400 -0.109 0.000 2.418 50 K HA -0.003 4.317 4.320 0.000 0.000 0.195 50 K C 0.413 176.982 176.600 -0.053 0.000 1.035 50 K CA 0.162 56.407 56.287 -0.071 0.000 1.003 50 K CB -0.446 32.015 32.500 -0.065 0.000 0.793 50 K HN 0.314 nan 8.250 nan 0.000 0.494 51 N N 0.907 119.588 118.700 -0.032 0.000 2.783 51 N HA -0.201 4.539 4.740 0.000 0.000 0.247 51 N C 0.411 175.930 175.510 0.015 0.000 1.089 51 N CA 0.521 53.589 53.050 0.029 0.000 0.690 51 N CB -0.747 37.744 38.487 0.008 0.000 0.991 51 N HN 0.322 nan 8.380 nan 0.000 0.552 52 T N -2.722 111.804 114.554 -0.047 0.000 2.821 52 T HA -0.125 4.225 4.350 0.000 0.000 0.267 52 T C 0.670 175.213 174.700 -0.262 0.000 1.046 52 T CA 1.121 63.091 62.100 -0.217 0.000 1.139 52 T CB -0.225 68.414 68.868 -0.382 0.000 0.871 52 T HN 0.348 nan 8.240 nan 0.000 0.454 53 Y N 1.805 122.210 120.300 0.175 0.000 2.434 53 Y HA 0.582 5.132 4.550 0.000 0.000 0.341 53 Y C 0.577 176.585 175.900 0.181 0.000 0.965 53 Y CA -1.267 56.951 58.100 0.197 0.000 1.205 53 Y CB 0.661 39.293 38.460 0.286 0.000 1.121 53 Y HN -0.012 nan 8.280 nan 0.000 0.507 54 R N 3.427 124.072 120.500 0.241 0.000 2.393 54 R HA 0.524 4.864 4.340 0.000 0.000 0.310 54 R C -1.067 175.337 176.300 0.173 0.000 0.968 54 R CA -0.704 55.502 56.100 0.177 0.000 0.867 54 R CB 0.868 31.232 30.300 0.105 0.000 1.124 54 R HN 0.690 nan 8.270 nan 0.000 0.450 55 L N 4.810 126.137 121.223 0.173 0.000 2.360 55 L HA 0.237 4.577 4.340 0.000 0.000 0.276 55 L C 0.392 177.337 176.870 0.125 0.000 1.121 55 L CA 0.006 54.943 54.840 0.162 0.000 0.845 55 L CB 0.775 42.949 42.059 0.191 0.000 1.143 55 L HN 0.433 nan 8.230 nan 0.000 0.452 56 K N 4.508 124.973 120.400 0.109 0.000 2.185 56 K HA 0.525 4.845 4.320 0.000 0.000 0.271 56 K C -0.472 176.151 176.600 0.038 0.000 1.013 56 K CA -0.418 55.908 56.287 0.065 0.000 0.943 56 K CB 1.248 33.780 32.500 0.053 0.000 0.998 56 K HN 0.431 nan 8.250 nan 0.000 0.468 57 L N 0.924 122.106 121.223 -0.068 0.000 2.267 57 L HA 0.451 4.791 4.340 0.000 0.000 0.264 57 L C -0.602 175.966 176.870 -0.503 0.000 1.021 57 L CA -1.048 53.626 54.840 -0.277 0.000 0.861 57 L CB 0.599 42.629 42.059 -0.047 0.000 1.443 57 L HN 0.547 nan 8.230 nan 0.000 0.475 58 Y N 0.140 119.897 120.300 -0.905 0.000 2.497 58 Y HA 0.287 4.837 4.550 0.000 0.000 0.333 58 Y C -0.480 175.302 175.900 -0.196 0.000 1.046 58 Y CA -0.576 57.227 58.100 -0.496 0.000 1.160 58 Y CB 0.953 38.972 38.460 -0.736 0.000 1.123 58 Y HN 0.445 nan 8.280 nan 0.000 0.638 59 S N 4.505 120.130 115.700 -0.126 0.000 2.443 59 S HA 0.374 4.844 4.470 0.000 0.000 0.284 59 S C -0.477 174.054 174.600 -0.116 0.000 1.206 59 S CA -0.298 57.861 58.200 -0.069 0.000 1.074 59 S CB -0.412 62.760 63.200 -0.047 0.000 0.963 59 S HN 0.537 nan 8.310 nan 0.000 0.501 60 L N 1.190 122.304 121.223 -0.180 0.000 2.342 60 L HA 0.769 5.109 4.340 0.000 0.000 0.271 60 L C -0.230 176.507 176.870 -0.221 0.000 1.008 60 L CA -0.873 53.785 54.840 -0.304 0.000 0.818 60 L CB 1.093 42.636 42.059 -0.861 0.000 1.296 60 L HN 0.249 nan 8.230 nan 0.000 0.427 61 R N 2.163 122.601 120.500 -0.103 0.000 2.337 61 R HA 0.322 4.662 4.340 0.000 0.000 0.319 61 R C -1.511 174.823 176.300 0.057 0.000 0.954 61 R CA -0.531 55.581 56.100 0.020 0.000 0.840 61 R CB 0.739 31.101 30.300 0.104 0.000 1.164 61 R HN 0.859 nan 8.270 nan 0.000 0.472 62 W N 4.556 125.942 121.300 0.143 0.000 2.193 62 W HA 0.015 4.675 4.660 0.000 0.000 0.338 62 W C 1.787 178.387 176.519 0.135 0.000 1.310 62 W CA -0.171 57.277 57.345 0.172 0.000 1.243 62 W CB 0.452 30.004 29.460 0.153 0.000 1.165 62 W HN 0.618 nan 8.180 nan 0.000 0.566 63 I N -0.878 119.925 120.570 0.390 0.000 4.433 63 I HA 0.250 4.420 4.170 0.000 0.000 0.322 63 I C 0.845 177.090 176.117 0.212 0.000 1.284 63 I CA 0.051 61.486 61.300 0.225 0.000 1.269 63 I CB 0.116 38.179 38.000 0.105 0.000 1.219 63 I HN 0.259 nan 8.210 nan 0.000 0.436 64 S N -0.238 115.619 115.700 0.262 0.000 3.132 64 S HA 0.373 4.843 4.470 0.000 0.000 0.322 64 S C 0.180 174.840 174.600 0.100 0.000 1.124 64 S CA -0.052 58.258 58.200 0.183 0.000 0.906 64 S CB 1.160 64.494 63.200 0.225 0.000 1.349 64 S HN 0.089 nan 8.310 nan 0.000 0.686 65 D N -0.747 119.585 120.400 -0.113 0.000 2.349 65 D HA 0.208 4.848 4.640 0.000 0.000 0.215 65 D C 0.852 176.925 176.300 -0.377 0.000 1.016 65 D CA 0.890 54.665 54.000 -0.376 0.000 0.870 65 D CB -0.065 40.383 40.800 -0.587 0.000 0.917 65 D HN 0.650 nan 8.370 nan 0.000 0.524 66 H N -1.906 117.324 119.070 0.266 0.000 3.457 66 H HA 0.440 4.996 4.556 0.000 0.000 0.255 66 H C 0.028 175.458 175.328 0.170 0.000 1.082 66 H CA -0.258 55.920 56.048 0.217 0.000 1.189 66 H CB 0.966 30.829 29.762 0.169 0.000 1.511 66 H HN -0.064 nan 8.280 nan 0.000 0.527 67 E N 0.337 120.742 120.200 0.342 0.000 2.359 67 E HA 0.422 4.772 4.350 0.000 0.000 0.266 67 E C -1.508 175.283 176.600 0.319 0.000 0.920 67 E CA -1.219 55.311 56.400 0.216 0.000 0.788 67 E CB 2.695 32.478 29.700 0.138 0.000 1.279 67 E HN 0.192 nan 8.360 nan 0.000 0.438 68 Y N -0.957 119.383 120.300 0.067 0.000 2.625 68 Y HA 0.641 5.191 4.550 0.000 0.000 0.338 68 Y C -1.929 173.942 175.900 -0.047 0.000 1.123 68 Y CA -1.297 56.743 58.100 -0.100 0.000 1.046 68 Y CB 0.688 38.767 38.460 -0.635 0.000 1.299 68 Y HN 0.342 nan 8.280 nan 0.000 0.464 69 L N 2.307 123.679 121.223 0.248 0.000 2.334 69 L HA 0.660 5.000 4.340 0.000 0.000 0.272 69 L C -1.424 175.625 176.870 0.298 0.000 1.020 69 L CA -1.147 53.800 54.840 0.177 0.000 0.812 69 L CB 2.057 44.124 42.059 0.012 0.000 1.264 69 L HN 0.810 nan 8.230 nan 0.000 0.439 70 Y N 1.630 121.976 120.300 0.078 0.000 2.474 70 Y HA 0.258 4.808 4.550 0.000 0.000 0.326 70 Y C -1.191 174.705 175.900 -0.007 0.000 1.160 70 Y CA -1.186 56.883 58.100 -0.053 0.000 1.056 70 Y CB 1.496 39.835 38.460 -0.202 0.000 1.330 70 Y HN 0.487 nan 8.280 nan 0.000 0.447 71 K N 5.816 125.802 120.400 -0.689 0.000 2.234 71 K HA 0.298 4.618 4.320 0.000 0.000 0.277 71 K C -0.464 175.710 176.600 -0.710 0.000 1.038 71 K CA -0.184 55.812 56.287 -0.485 0.000 0.888 71 K CB 1.756 34.098 32.500 -0.263 0.000 1.091 71 K HN 1.056 nan 8.250 nan 0.000 0.467 72 Q N 2.524 122.160 119.800 -0.272 0.000 2.240 72 Q HA 0.004 4.344 4.340 0.000 0.000 0.194 72 Q C -0.081 175.883 176.000 -0.060 0.000 0.982 72 Q CA 0.648 56.396 55.803 -0.092 0.000 0.842 72 Q CB 0.481 29.314 28.738 0.159 0.000 0.941 72 Q HN 0.729 nan 8.270 nan 0.000 0.516 73 E N 0.326 120.510 120.200 -0.026 0.000 3.269 73 E HA 0.199 4.549 4.350 0.000 0.000 0.221 73 E C -0.685 175.897 176.600 -0.030 0.000 1.113 73 E CA -0.300 56.087 56.400 -0.022 0.000 1.385 73 E CB 0.346 30.045 29.700 -0.001 0.000 1.345 73 E HN 0.311 nan 8.360 nan 0.000 0.435 74 N N 0.918 119.588 118.700 -0.050 0.000 2.800 74 N HA -0.158 4.582 4.740 0.000 0.000 0.250 74 N C -1.121 174.365 175.510 -0.041 0.000 1.078 74 N CA 0.831 53.858 53.050 -0.039 0.000 0.804 74 N CB -1.405 37.071 38.487 -0.018 0.000 1.135 74 N HN 0.416 nan 8.380 nan 0.000 0.565 75 N N 0.961 119.635 118.700 -0.044 0.000 2.469 75 N HA 0.426 5.166 4.740 0.000 0.000 0.253 75 N C 0.231 175.720 175.510 -0.034 0.000 0.970 75 N CA -0.636 52.393 53.050 -0.035 0.000 0.940 75 N CB 1.242 39.719 38.487 -0.016 0.000 1.128 75 N HN 0.333 nan 8.380 nan 0.000 0.503 76 I N 1.115 121.650 120.570 -0.058 0.000 2.598 76 I HA 0.237 4.407 4.170 0.000 0.000 0.284 76 I C -1.114 175.045 176.117 0.069 0.000 1.140 76 I CA 0.039 61.307 61.300 -0.053 0.000 1.420 76 I CB 0.172 38.046 38.000 -0.210 0.000 1.387 76 I HN 0.285 nan 8.210 nan 0.000 0.553 77 L N 7.247 128.550 121.223 0.134 0.000 2.342 77 L HA 0.616 4.956 4.340 0.000 0.000 0.271 77 L C -0.272 176.709 176.870 0.186 0.000 1.008 77 L CA -1.203 53.736 54.840 0.165 0.000 0.818 77 L CB 1.730 43.910 42.059 0.201 0.000 1.296 77 L HN 0.560 nan 8.230 nan 0.000 0.427 78 V N 2.645 122.608 119.914 0.082 0.000 2.407 78 V HA 0.470 4.590 4.120 0.000 0.000 0.278 78 V C -0.741 175.284 176.094 -0.115 0.000 1.037 78 V CA -0.064 62.248 62.300 0.020 0.000 0.900 78 V CB 1.000 32.854 31.823 0.051 0.000 0.983 78 V HN 0.484 nan 8.190 nan 0.000 0.459 79 F N 5.033 124.722 119.950 -0.436 0.000 2.458 79 F HA 0.485 5.012 4.527 0.000 0.000 0.330 79 F C 0.612 176.136 175.800 -0.461 0.000 1.082 79 F CA -0.582 57.093 58.000 -0.542 0.000 0.995 79 F CB 1.587 39.983 39.000 -1.007 0.000 1.170 79 F HN 0.470 nan 8.300 nan 0.000 0.478 80 N N 1.958 120.584 118.700 -0.123 0.000 2.462 80 N HA 0.212 4.952 4.740 0.000 0.000 0.242 80 N C 0.600 176.038 175.510 -0.120 0.000 1.010 80 N CA 0.111 53.118 53.050 -0.072 0.000 0.939 80 N CB 1.534 40.032 38.487 0.018 0.000 1.127 80 N HN 0.815 nan 8.380 nan 0.000 0.509 81 A N 3.657 126.366 122.820 -0.184 0.000 1.940 81 A HA -0.257 4.063 4.320 0.000 0.000 0.221 81 A C 1.932 179.260 177.584 -0.428 0.000 1.190 81 A CA 1.942 53.778 52.037 -0.335 0.000 0.647 81 A CB -0.430 18.125 19.000 -0.741 0.000 0.821 81 A HN 0.745 nan 8.150 nan 0.000 0.457 82 E N -0.994 118.935 120.200 -0.453 0.000 2.006 82 E HA -0.135 4.215 4.350 0.000 0.000 0.192 82 E C 1.660 177.984 176.600 -0.461 0.000 0.993 82 E CA 1.921 58.023 56.400 -0.497 0.000 0.808 82 E CB -0.440 28.791 29.700 -0.781 0.000 0.764 82 E HN 0.736 nan 8.360 nan 0.000 0.449 83 Y N -1.909 118.397 120.300 0.009 0.000 2.509 83 Y HA 0.315 4.865 4.550 0.000 0.000 0.270 83 Y C 1.668 177.568 175.900 -0.000 0.000 1.103 83 Y CA 0.177 58.281 58.100 0.006 0.000 1.278 83 Y CB 0.804 39.265 38.460 0.001 0.000 1.087 83 Y HN 0.300 nan 8.280 nan 0.000 0.542 84 G N 0.551 109.406 108.800 0.091 0.000 2.213 84 G HA2 -0.312 3.648 3.960 0.000 0.000 0.236 84 G HA3 -0.312 3.648 3.960 0.000 0.000 0.236 84 G C 0.091 175.028 174.900 0.062 0.000 0.991 84 G CA 0.069 45.230 45.100 0.103 0.000 0.629 84 G HN 0.425 nan 8.290 nan 0.000 0.517 85 N N 0.911 119.618 118.700 0.011 0.000 2.371 85 N HA 0.468 5.208 4.740 0.000 0.000 0.243 85 N C -0.061 175.278 175.510 -0.285 0.000 1.287 85 N CA 0.887 53.878 53.050 -0.098 0.000 0.911 85 N CB 1.151 39.609 38.487 -0.049 0.000 1.142 85 N HN 1.149 nan 8.380 nan 0.000 0.451 86 S N -1.390 114.077 115.700 -0.388 0.000 2.614 86 S HA 0.435 4.905 4.470 0.000 0.000 0.275 86 S C -0.941 173.466 174.600 -0.321 0.000 1.161 86 S CA -0.973 56.882 58.200 -0.574 0.000 0.969 86 S CB 0.903 63.275 63.200 -1.379 0.000 1.059 86 S HN 0.532 nan 8.310 nan 0.000 0.482 87 S N 1.596 117.171 115.700 -0.210 0.000 2.632 87 S HA 0.541 5.011 4.470 0.000 0.000 0.271 87 S C 0.084 174.634 174.600 -0.082 0.000 1.260 87 S CA -0.718 57.413 58.200 -0.115 0.000 1.010 87 S CB 1.082 64.247 63.200 -0.058 0.000 0.965 87 S HN 0.727 nan 8.310 nan 0.000 0.534 88 V N 3.018 122.899 119.914 -0.056 0.000 2.508 88 V HA 0.122 4.242 4.120 0.000 0.000 0.281 88 V C 0.450 176.556 176.094 0.021 0.000 1.041 88 V CA 0.190 62.480 62.300 -0.016 0.000 1.016 88 V CB 0.282 32.080 31.823 -0.041 0.000 0.984 88 V HN 0.942 nan 8.190 nan 0.000 0.478 89 F N 5.231 125.137 119.950 -0.072 0.000 2.446 89 F HA 0.471 4.998 4.527 0.000 0.000 0.292 89 F C 0.361 176.113 175.800 -0.079 0.000 1.096 89 F CA 0.500 58.461 58.000 -0.066 0.000 1.438 89 F CB 0.560 39.529 39.000 -0.051 0.000 1.107 89 F HN 0.376 nan 8.300 nan 0.000 0.546 90 L N 0.267 121.513 121.223 0.039 0.000 2.700 90 L HA 0.278 4.618 4.340 0.000 0.000 0.255 90 L C -1.747 175.081 176.870 -0.069 0.000 0.933 90 L CA -0.530 54.273 54.840 -0.061 0.000 0.920 90 L CB 1.656 43.725 42.059 0.016 0.000 1.472 90 L HN -0.034 nan 8.230 nan 0.000 0.426 91 E N 1.747 121.871 120.200 -0.126 0.000 2.207 91 E HA 0.306 4.656 4.350 0.000 0.000 0.270 91 E C -0.069 176.470 176.600 -0.101 0.000 0.927 91 E CA -0.705 55.633 56.400 -0.103 0.000 0.799 91 E CB 0.975 30.610 29.700 -0.109 0.000 1.172 91 E HN 0.666 nan 8.360 nan 0.000 0.404 92 N N 0.975 119.640 118.700 -0.058 0.000 2.417 92 N HA -0.211 4.529 4.740 0.000 0.000 0.187 92 N C 1.069 176.553 175.510 -0.044 0.000 1.027 92 N CA 1.185 54.217 53.050 -0.030 0.000 0.891 92 N CB -0.315 38.161 38.487 -0.018 0.000 0.956 92 N HN 0.199 nan 8.380 nan 0.000 0.442 93 S N 0.035 115.684 115.700 -0.084 0.000 2.345 93 S HA -0.094 4.376 4.470 0.000 0.000 0.220 93 S C 1.770 176.263 174.600 -0.178 0.000 1.031 93 S CA 1.555 59.694 58.200 -0.102 0.000 0.996 93 S CB -0.751 62.388 63.200 -0.102 0.000 0.882 93 S HN 0.513 nan 8.310 nan 0.000 0.445 94 T N 1.498 115.859 114.554 -0.322 0.000 2.684 94 T HA -0.188 4.162 4.350 0.000 0.000 0.267 94 T C 0.592 174.831 174.700 -0.767 0.000 1.032 94 T CA 1.516 63.233 62.100 -0.639 0.000 1.155 94 T CB -0.443 67.837 68.868 -0.980 0.000 0.857 94 T HN 0.383 nan 8.240 nan 0.000 0.457 95 F N 0.864 120.729 119.950 -0.143 0.000 2.908 95 F HA 0.369 4.896 4.527 0.000 0.000 0.328 95 F C 0.977 176.772 175.800 -0.008 0.000 1.211 95 F CA -1.351 56.592 58.000 -0.095 0.000 1.291 95 F CB 0.057 38.942 39.000 -0.191 0.000 0.962 95 F HN -0.077 nan 8.300 nan 0.000 0.505 96 D N 0.751 121.199 120.400 0.079 0.000 2.117 96 D HA -0.139 4.501 4.640 0.000 0.000 0.197 96 D C 0.720 177.071 176.300 0.084 0.000 0.987 96 D CA 1.448 55.486 54.000 0.062 0.000 0.829 96 D CB 0.093 40.900 40.800 0.011 0.000 0.961 96 D HN 0.394 nan 8.370 nan 0.000 0.460 97 E N -0.674 119.583 120.200 0.095 0.000 2.947 97 E HA 0.146 4.496 4.350 0.000 0.000 0.229 97 E C 0.308 177.001 176.600 0.156 0.000 1.158 97 E CA -0.364 56.084 56.400 0.079 0.000 1.441 97 E CB -0.086 29.636 29.700 0.037 0.000 1.414 97 E HN 0.173 nan 8.360 nan 0.000 0.432 98 F N 0.419 120.394 119.950 0.043 0.000 2.293 98 F HA 0.052 4.579 4.527 0.000 0.000 0.297 98 F C 1.771 177.531 175.800 -0.067 0.000 1.089 98 F CA 1.358 59.376 58.000 0.031 0.000 1.377 98 F CB 0.447 39.452 39.000 0.007 0.000 1.051 98 F HN 0.415 nan 8.300 nan 0.000 0.511 99 G N -0.682 107.994 108.800 -0.207 0.000 2.268 99 G HA2 -0.245 3.715 3.960 0.000 0.000 0.240 99 G HA3 -0.245 3.715 3.960 0.000 0.000 0.240 99 G C 0.127 174.667 174.900 -0.601 0.000 1.010 99 G CA 0.227 45.075 45.100 -0.421 0.000 0.618 99 G HN 0.487 nan 8.290 nan 0.000 0.516 100 H N 0.234 119.052 119.070 -0.420 0.000 2.569 100 H HA 0.622 5.178 4.556 0.000 0.000 0.357 100 H C -0.223 175.114 175.328 0.014 0.000 1.153 100 H CA 0.067 55.953 56.048 -0.271 0.000 1.193 100 H CB 1.732 31.113 29.762 -0.635 0.000 1.602 100 H HN 0.169 nan 8.280 nan 0.000 0.523 101 S N 2.326 118.126 115.700 0.166 0.000 2.510 101 S HA 0.186 4.656 4.470 0.000 0.000 0.279 101 S C 0.248 174.943 174.600 0.158 0.000 1.284 101 S CA -0.632 57.649 58.200 0.134 0.000 1.059 101 S CB -0.537 62.721 63.200 0.098 0.000 0.901 101 S HN 0.364 nan 8.310 nan 0.000 0.491 102 I N 6.283 126.913 120.570 0.101 0.000 2.297 102 I HA 0.182 4.352 4.170 0.000 0.000 0.291 102 I C 1.649 177.776 176.117 0.017 0.000 1.033 102 I CA -0.394 60.936 61.300 0.049 0.000 1.253 102 I CB 0.860 38.812 38.000 -0.081 0.000 1.396 102 I HN 0.754 nan 8.210 nan 0.000 0.476 103 N N 4.066 122.772 118.700 0.010 0.000 2.171 103 N HA -0.089 4.651 4.740 0.000 0.000 0.184 103 N C 0.104 175.556 175.510 -0.097 0.000 1.021 103 N CA 1.268 54.274 53.050 -0.073 0.000 0.854 103 N CB 0.490 38.910 38.487 -0.111 0.000 0.994 103 N HN 0.651 nan 8.380 nan 0.000 0.426 104 D N -1.993 118.370 120.400 -0.063 0.000 2.653 104 D HA 0.197 4.837 4.640 0.000 0.000 0.258 104 D C -1.423 174.877 176.300 0.001 0.000 1.252 104 D CA -0.508 53.439 54.000 -0.087 0.000 0.777 104 D CB 0.929 41.650 40.800 -0.132 0.000 1.339 104 D HN 0.136 nan 8.370 nan 0.000 0.422 105 Y N -0.868 119.448 120.300 0.026 0.000 2.659 105 Y HA 0.824 5.374 4.550 0.000 0.000 0.333 105 Y C -0.683 175.299 175.900 0.136 0.000 1.064 105 Y CA -1.038 57.099 58.100 0.062 0.000 1.141 105 Y CB 1.825 40.310 38.460 0.042 0.000 1.316 105 Y HN 0.175 nan 8.280 nan 0.000 0.509 106 S N 1.469 117.434 115.700 0.441 0.000 2.550 106 S HA 0.454 4.924 4.470 0.000 0.000 0.274 106 S C -1.637 173.284 174.600 0.535 0.000 1.110 106 S CA -0.606 57.846 58.200 0.420 0.000 1.013 106 S CB 0.025 63.436 63.200 0.351 0.000 1.152 106 S HN 0.698 nan 8.310 nan 0.000 0.450 107 I N 4.501 125.273 120.570 0.336 0.000 2.365 107 I HA 0.286 4.456 4.170 0.000 0.000 0.291 107 I C 1.017 176.937 176.117 -0.329 0.000 1.004 107 I CA -0.593 60.774 61.300 0.112 0.000 1.311 107 I CB 1.692 39.740 38.000 0.079 0.000 1.401 107 I HN 0.788 nan 8.210 nan 0.000 0.491 108 S N 6.138 121.308 115.700 -0.884 0.000 2.558 108 S HA 0.042 4.512 4.470 0.000 0.000 0.291 108 S C -1.790 172.492 174.600 -0.529 0.000 1.306 108 S CA -0.836 56.493 58.200 -1.452 0.000 1.056 108 S CB 0.427 62.823 63.200 -1.340 0.000 0.836 108 S HN 0.447 nan 8.310 nan 0.000 0.504 109 P HA -0.132 nan 4.420 nan 0.000 0.217 109 P C 0.699 177.956 177.300 -0.070 0.000 1.148 109 P CA 1.595 64.614 63.100 -0.135 0.000 0.828 109 P CB -0.151 31.494 31.700 -0.091 0.000 0.783 110 D N -1.803 118.558 120.400 -0.064 0.000 2.370 110 D HA 0.113 4.753 4.640 0.000 0.000 0.230 110 D C 1.415 177.733 176.300 0.030 0.000 1.143 110 D CA 0.140 54.151 54.000 0.018 0.000 0.834 110 D CB -1.198 39.649 40.800 0.079 0.000 0.944 110 D HN 0.188 nan 8.370 nan 0.000 0.504 111 G N 0.546 109.351 108.800 0.008 0.000 2.238 111 G HA2 -0.473 3.487 3.960 0.000 0.000 0.270 111 G HA3 -0.473 3.487 3.960 0.000 0.000 0.270 111 G C 1.118 176.049 174.900 0.052 0.000 0.977 111 G CA 0.821 45.975 45.100 0.090 0.000 0.639 111 G HN 0.488 nan 8.290 nan 0.000 0.544 112 Q N -1.338 118.429 119.800 -0.055 0.000 2.172 112 Q HA 0.271 4.611 4.340 0.000 0.000 0.200 112 Q C 0.481 176.150 176.000 -0.552 0.000 0.964 112 Q CA 0.793 56.405 55.803 -0.320 0.000 0.855 112 Q CB 0.155 28.633 28.738 -0.433 0.000 0.918 112 Q HN 0.602 nan 8.270 nan 0.000 0.444 113 F N -0.894 119.014 119.950 -0.071 0.000 2.620 113 F HA 0.511 5.038 4.527 0.000 0.000 0.320 113 F C -0.351 175.516 175.800 0.113 0.000 1.069 113 F CA -1.185 56.833 58.000 0.031 0.000 0.953 113 F CB 1.768 40.812 39.000 0.073 0.000 1.322 113 F HN -0.197 nan 8.300 nan 0.000 0.479 114 I N 3.036 123.917 120.570 0.519 0.000 2.571 114 I HA 0.410 4.580 4.170 0.000 0.000 0.289 114 I C -1.988 174.445 176.117 0.526 0.000 1.115 114 I CA -0.792 60.796 61.300 0.479 0.000 1.045 114 I CB 1.761 40.009 38.000 0.413 0.000 1.238 114 I HN 0.539 nan 8.210 nan 0.000 0.424 115 L N 8.339 129.909 121.223 0.578 0.000 2.292 115 L HA 0.535 4.875 4.340 0.000 0.000 0.284 115 L C -1.380 175.660 176.870 0.283 0.000 1.065 115 L CA -0.095 55.004 54.840 0.431 0.000 0.806 115 L CB 1.119 43.409 42.059 0.385 0.000 1.175 115 L HN 0.511 nan 8.230 nan 0.000 0.431 116 L N 5.078 126.412 121.223 0.185 0.000 2.325 116 L HA 0.524 4.864 4.340 0.000 0.000 0.281 116 L C -0.385 176.534 176.870 0.083 0.000 1.004 116 L CA -0.418 54.438 54.840 0.028 0.000 0.823 116 L CB 1.685 43.565 42.059 -0.298 0.000 1.236 116 L HN 0.620 nan 8.230 nan 0.000 0.415 117 E N 4.055 124.249 120.200 -0.009 0.000 2.133 117 E HA 0.454 4.804 4.350 0.000 0.000 0.274 117 E C -1.714 174.823 176.600 -0.105 0.000 0.930 117 E CA -0.539 55.688 56.400 -0.288 0.000 0.770 117 E CB 1.144 30.755 29.700 -0.147 0.000 1.104 117 E HN 0.456 nan 8.360 nan 0.000 0.403 118 Y N 1.850 121.948 120.300 -0.337 0.000 2.655 118 Y HA 0.458 5.008 4.550 0.000 0.000 0.336 118 Y C -0.233 175.567 175.900 -0.166 0.000 1.154 118 Y CA -1.517 56.487 58.100 -0.161 0.000 1.055 118 Y CB 0.680 39.115 38.460 -0.042 0.000 1.295 118 Y HN 0.505 nan 8.280 nan 0.000 0.465 119 N N -0.580 118.131 118.700 0.017 0.000 2.776 119 N HA -0.294 4.446 4.740 0.000 0.000 0.249 119 N C -0.935 174.545 175.510 -0.050 0.000 1.111 119 N CA 0.931 53.955 53.050 -0.044 0.000 0.711 119 N CB -1.933 36.446 38.487 -0.181 0.000 1.065 119 N HN 0.903 nan 8.380 nan 0.000 0.556 120 Y N 0.535 120.748 120.300 -0.146 0.000 2.802 120 Y HA 0.179 4.729 4.550 0.000 0.000 0.333 120 Y C 0.008 175.852 175.900 -0.093 0.000 1.244 120 Y CA 0.241 58.237 58.100 -0.174 0.000 1.558 120 Y CB 0.527 38.842 38.460 -0.242 0.000 1.233 120 Y HN 0.005 nan 8.280 nan 0.000 0.547 121 V N 8.465 128.076 119.914 -0.505 0.000 2.409 121 V HA 0.179 4.299 4.120 0.000 0.000 0.290 121 V C -0.208 175.542 176.094 -0.573 0.000 1.017 121 V CA -1.346 60.714 62.300 -0.399 0.000 0.841 121 V CB 1.270 32.981 31.823 -0.187 0.000 1.003 121 V HN 0.739 nan 8.190 nan 0.000 0.426 122 K N 4.095 124.155 120.400 -0.566 0.000 2.436 122 K HA 0.194 4.514 4.320 0.000 0.000 0.275 122 K C 0.376 176.822 176.600 -0.256 0.000 0.999 122 K CA 0.254 56.336 56.287 -0.342 0.000 0.980 122 K CB 1.093 33.594 32.500 0.002 0.000 0.919 122 K HN 0.796 nan 8.250 nan 0.000 0.484 123 Q N 2.945 122.565 119.800 -0.301 0.000 2.968 123 Q HA 0.179 4.519 4.340 0.000 0.000 0.245 123 Q C -0.048 175.713 176.000 -0.398 0.000 1.136 123 Q CA -0.400 55.037 55.803 -0.611 0.000 0.410 123 Q CB 0.063 28.247 28.738 -0.924 0.000 5.262 123 Q HN 0.718 nan 8.270 nan 0.000 0.356 124 W N 0.343 121.646 121.300 0.005 0.000 1.746 124 W HA 0.267 4.927 4.660 0.000 0.000 0.569 124 W C 1.771 178.288 176.519 -0.004 0.000 2.047 124 W CA -0.521 56.864 57.345 0.066 0.000 2.328 124 W CB -0.133 29.365 29.460 0.063 0.000 2.372 124 W HN 0.415 nan 8.180 nan 0.000 0.797 125 R N -0.528 120.095 120.500 0.204 0.000 2.091 125 R HA -0.183 4.157 4.340 0.000 0.000 0.238 125 R C 1.680 177.823 176.300 -0.263 0.000 1.136 125 R CA 2.191 58.219 56.100 -0.120 0.000 0.959 125 R CB -0.509 29.567 30.300 -0.374 0.000 0.856 125 R HN 0.517 nan 8.270 nan 0.000 0.437 126 H N -1.134 118.003 119.070 0.112 0.000 2.927 126 H HA 0.206 4.762 4.556 0.000 0.000 0.255 126 H C 0.456 175.812 175.328 0.047 0.000 0.974 126 H CA 0.445 56.564 56.048 0.118 0.000 1.199 126 H CB 0.196 30.004 29.762 0.076 0.000 1.447 126 H HN 0.221 nan 8.280 nan 0.000 0.467 127 S N 1.444 117.076 115.700 -0.114 0.000 2.585 127 S HA 0.350 4.820 4.470 0.000 0.000 0.273 127 S C -0.295 174.096 174.600 -0.348 0.000 1.339 127 S CA -0.449 57.341 58.200 -0.683 0.000 1.028 127 S CB 0.636 62.874 63.200 -1.603 0.000 0.906 127 S HN 0.440 nan 8.310 nan 0.000 0.528 128 Y N -2.207 117.946 120.300 -0.245 0.000 2.779 128 Y HA 0.705 5.255 4.550 0.000 0.000 0.340 128 Y C -0.719 175.137 175.900 -0.074 0.000 1.252 128 Y CA -0.925 57.013 58.100 -0.270 0.000 1.072 128 Y CB 0.513 38.723 38.460 -0.418 0.000 1.343 128 Y HN 0.869 nan 8.280 nan 0.000 0.450 129 T N -0.304 114.331 114.554 0.135 0.000 2.908 129 T HA 1.007 5.357 4.350 0.000 0.000 0.290 129 T C -0.536 174.254 174.700 0.151 0.000 1.034 129 T CA -0.068 62.140 62.100 0.180 0.000 1.010 129 T CB 1.776 70.685 68.868 0.068 0.000 1.068 129 T HN 1.747 nan 8.240 nan 0.000 0.481 130 A N 1.152 124.055 122.820 0.137 0.000 2.568 130 A HA 0.855 5.175 4.320 0.000 0.000 0.291 130 A C -0.581 176.823 177.584 -0.301 0.000 1.159 130 A CA -0.984 50.964 52.037 -0.148 0.000 0.679 130 A CB 1.269 20.101 19.000 -0.281 0.000 1.285 130 A HN 0.901 nan 8.150 nan 0.000 0.428 131 S N -0.935 114.333 115.700 -0.720 0.000 2.578 131 S HA 0.819 5.289 4.470 0.000 0.000 0.301 131 S C -1.551 172.396 174.600 -1.089 0.000 1.091 131 S CA -0.161 57.560 58.200 -0.799 0.000 1.032 131 S CB 0.910 63.497 63.200 -1.022 0.000 1.064 131 S HN 0.470 nan 8.310 nan 0.000 0.508 132 Y N 0.021 120.089 120.300 -0.386 0.000 2.553 132 Y HA 0.536 5.086 4.550 0.000 0.000 0.347 132 Y C -0.473 175.469 175.900 0.070 0.000 1.019 132 Y CA -0.833 57.191 58.100 -0.127 0.000 1.032 132 Y CB 1.924 40.265 38.460 -0.199 0.000 1.284 132 Y HN 0.508 nan 8.280 nan 0.000 0.466 133 D N 2.054 122.645 120.400 0.318 0.000 2.857 133 D HA 0.491 5.131 4.640 0.000 0.000 0.227 133 D C -1.131 175.292 176.300 0.205 0.000 1.192 133 D CA -0.348 53.809 54.000 0.261 0.000 0.857 133 D CB 2.619 43.637 40.800 0.363 0.000 1.645 133 D HN 0.391 nan 8.370 nan 0.000 0.482 134 I N 1.864 122.555 120.570 0.201 0.000 2.336 134 I HA 0.268 4.438 4.170 0.000 0.000 0.292 134 I C -0.725 175.611 176.117 0.365 0.000 0.991 134 I CA -0.918 60.547 61.300 0.274 0.000 1.227 134 I CB 1.165 39.280 38.000 0.191 0.000 1.366 134 I HN 0.221 nan 8.210 nan 0.000 0.466 135 Y N 5.580 126.057 120.300 0.296 0.000 2.328 135 Y HA 0.301 4.851 4.550 0.000 0.000 0.337 135 Y C -0.127 175.949 175.900 0.294 0.000 0.966 135 Y CA -0.725 57.543 58.100 0.281 0.000 1.136 135 Y CB 0.976 39.621 38.460 0.309 0.000 1.170 135 Y HN 0.519 nan 8.280 nan 0.000 0.470 136 D N 5.581 125.868 120.400 -0.189 0.000 2.348 136 D HA 0.062 4.702 4.640 0.000 0.000 0.253 136 D C 0.443 176.425 176.300 -0.531 0.000 1.161 136 D CA 0.443 54.245 54.000 -0.330 0.000 0.876 136 D CB 1.239 41.892 40.800 -0.245 0.000 1.160 136 D HN 0.872 nan 8.370 nan 0.000 0.459 137 L N 3.905 124.892 121.223 -0.394 0.000 2.249 137 L HA -0.049 4.291 4.340 0.000 0.000 0.207 137 L C 2.139 178.850 176.870 -0.265 0.000 1.090 137 L CA 0.171 54.870 54.840 -0.234 0.000 0.802 137 L CB -0.149 41.825 42.059 -0.140 0.000 0.947 137 L HN 0.390 nan 8.230 nan 0.000 0.453 138 N N 0.839 119.348 118.700 -0.319 0.000 2.039 138 N HA -0.182 4.558 4.740 0.000 0.000 0.193 138 N C 1.252 176.635 175.510 -0.211 0.000 1.044 138 N CA 1.381 54.286 53.050 -0.242 0.000 0.847 138 N CB -0.258 38.083 38.487 -0.243 0.000 1.030 138 N HN 0.320 nan 8.380 nan 0.000 0.422 139 K N 1.341 121.598 120.400 -0.239 0.000 2.522 139 K HA 0.156 4.476 4.320 0.000 0.000 0.194 139 K C -0.224 176.243 176.600 -0.221 0.000 1.026 139 K CA -0.170 56.003 56.287 -0.189 0.000 1.119 139 K CB 0.290 32.699 32.500 -0.152 0.000 0.856 139 K HN 0.104 nan 8.250 nan 0.000 0.513 140 R N 1.074 121.402 120.500 -0.287 0.000 3.266 140 R HA -0.223 4.117 4.340 0.000 0.000 0.245 140 R C -0.575 175.522 176.300 -0.338 0.000 0.941 140 R CA 0.962 56.902 56.100 -0.267 0.000 0.638 140 R CB -2.381 27.877 30.300 -0.070 0.000 1.019 140 R HN 0.518 nan 8.270 nan 0.000 0.462 141 Q N -0.571 118.834 119.800 -0.659 0.000 2.456 141 Q HA 0.548 4.888 4.340 0.000 0.000 0.284 141 Q C -0.837 174.985 176.000 -0.296 0.000 1.061 141 Q CA -1.174 54.446 55.803 -0.304 0.000 0.799 141 Q CB 1.707 30.370 28.738 -0.125 0.000 1.445 141 Q HN 0.054 nan 8.270 nan 0.000 0.411 142 L N 1.268 122.561 121.223 0.116 0.000 2.375 142 L HA 0.325 4.665 4.340 0.000 0.000 0.271 142 L C -0.260 176.694 176.870 0.141 0.000 1.107 142 L CA -0.256 54.731 54.840 0.246 0.000 0.806 142 L CB 0.372 42.648 42.059 0.362 0.000 1.146 142 L HN 0.455 nan 8.230 nan 0.000 0.447 143 I N 2.145 122.806 120.570 0.152 0.000 2.363 143 I HA 0.087 4.257 4.170 0.000 0.000 0.292 143 I C 1.135 177.304 176.117 0.088 0.000 1.075 143 I CA 0.201 61.564 61.300 0.105 0.000 1.333 143 I CB 0.711 38.771 38.000 0.101 0.000 1.415 143 I HN 0.790 nan 8.210 nan 0.000 0.502 144 T N 2.842 117.435 114.554 0.065 0.000 3.054 144 T HA 0.042 4.392 4.350 0.000 0.000 0.259 144 T C 0.649 175.364 174.700 0.025 0.000 1.092 144 T CA 0.084 62.217 62.100 0.054 0.000 1.121 144 T CB 0.159 69.056 68.868 0.049 0.000 0.912 144 T HN 0.650 nan 8.240 nan 0.000 0.489 145 E N 1.195 121.402 120.200 0.012 0.000 2.299 145 E HA 0.262 4.612 4.350 0.000 0.000 0.265 145 E C -0.834 175.750 176.600 -0.028 0.000 0.911 145 E CA -0.691 55.703 56.400 -0.010 0.000 0.789 145 E CB 1.049 30.744 29.700 -0.007 0.000 1.246 145 E HN 0.032 nan 8.360 nan 0.000 0.427 146 E N 0.581 120.750 120.200 -0.052 0.000 2.230 146 E HA -0.221 4.129 4.350 0.000 0.000 0.206 146 E C -0.388 176.152 176.600 -0.100 0.000 1.309 146 E CA 0.662 57.016 56.400 -0.078 0.000 0.697 146 E CB -1.172 28.492 29.700 -0.060 0.000 1.146 146 E HN 0.508 nan 8.360 nan 0.000 0.363 147 R N -0.394 120.034 120.500 -0.121 0.000 2.541 147 R HA 0.518 4.858 4.340 0.000 0.000 0.263 147 R C 1.065 177.197 176.300 -0.281 0.000 1.112 147 R CA -0.746 55.266 56.100 -0.146 0.000 1.170 147 R CB 0.617 30.860 30.300 -0.095 0.000 1.167 147 R HN 0.097 nan 8.270 nan 0.000 0.582 148 I N 2.883 123.249 120.570 -0.340 0.000 2.416 148 I HA 0.153 4.323 4.170 0.000 0.000 0.288 148 I C -1.872 173.937 176.117 -0.514 0.000 1.051 148 I CA -1.967 58.966 61.300 -0.611 0.000 1.375 148 I CB 1.017 38.662 38.000 -0.591 0.000 1.407 148 I HN 0.258 nan 8.210 nan 0.000 0.516 149 P HA 0.011 nan 4.420 nan 0.000 0.268 149 P C -0.757 176.358 177.300 -0.308 0.000 1.208 149 P CA -0.176 62.545 63.100 -0.631 0.000 0.777 149 P CB 0.295 31.183 31.700 -1.355 0.000 0.875 150 N N 2.913 121.515 118.700 -0.164 0.000 2.441 150 N HA -0.013 4.727 4.740 0.000 0.000 0.251 150 N C 0.445 176.022 175.510 0.111 0.000 1.242 150 N CA 0.521 53.534 53.050 -0.060 0.000 0.898 150 N CB -0.398 38.065 38.487 -0.039 0.000 1.100 150 N HN 0.418 nan 8.380 nan 0.000 0.443 151 N N -0.789 117.963 118.700 0.087 0.000 2.862 151 N HA -0.144 4.596 4.740 0.000 0.000 0.248 151 N C -0.933 174.745 175.510 0.280 0.000 1.116 151 N CA 0.588 53.734 53.050 0.159 0.000 0.727 151 N CB -1.538 37.054 38.487 0.174 0.000 1.083 151 N HN 0.476 nan 8.380 nan 0.000 0.555 152 T N 0.776 115.489 114.554 0.264 0.000 2.884 152 T HA 0.170 4.520 4.350 0.000 0.000 0.298 152 T C 1.700 176.561 174.700 0.268 0.000 0.998 152 T CA 0.076 62.347 62.100 0.286 0.000 1.124 152 T CB 1.353 70.284 68.868 0.106 0.000 0.931 152 T HN 0.148 nan 8.240 nan 0.000 0.531 153 Q N 1.679 121.627 119.800 0.247 0.000 2.297 153 Q HA 0.168 4.508 4.340 0.000 0.000 0.203 153 Q C 0.154 176.331 176.000 0.295 0.000 0.931 153 Q CA 0.356 56.321 55.803 0.269 0.000 0.885 153 Q CB 0.907 29.771 28.738 0.210 0.000 0.991 153 Q HN 0.685 nan 8.270 nan 0.000 0.498 154 W N 0.370 121.635 121.300 -0.059 0.000 3.372 154 W HA 0.495 5.155 4.660 0.000 0.000 0.315 154 W C -2.140 174.294 176.519 -0.142 0.000 1.223 154 W CA -0.674 56.592 57.345 -0.132 0.000 1.202 154 W CB 1.506 30.817 29.460 -0.249 0.000 1.367 154 W HN -0.342 nan 8.180 nan 0.000 0.531 155 V N 3.470 122.685 119.914 -1.165 0.000 2.789 155 V HA 0.702 4.822 4.120 0.000 0.000 0.311 155 V C -0.313 175.110 176.094 -1.119 0.000 1.073 155 V CA -0.608 61.114 62.300 -0.963 0.000 0.921 155 V CB 1.783 32.946 31.823 -1.100 0.000 1.009 155 V HN 0.499 nan 8.190 nan 0.000 0.426 156 T N 2.408 116.644 114.554 -0.530 0.000 2.982 156 T HA 0.529 4.879 4.350 0.000 0.000 0.321 156 T C -1.487 173.198 174.700 -0.025 0.000 1.229 156 T CA -0.374 61.604 62.100 -0.204 0.000 1.044 156 T CB 0.935 69.926 68.868 0.204 0.000 1.184 156 T HN 0.500 nan 8.240 nan 0.000 0.477 157 W N 2.843 124.180 121.300 0.061 0.000 2.093 157 W HA 0.461 5.121 4.660 0.000 0.000 0.352 157 W C 1.217 177.560 176.519 -0.294 0.000 1.294 157 W CA -0.486 56.835 57.345 -0.041 0.000 1.290 157 W CB 0.543 29.975 29.460 -0.046 0.000 1.149 157 W HN 0.806 nan 8.180 nan 0.000 0.606 158 S N 1.094 116.474 115.700 -0.532 0.000 2.579 158 S HA 0.127 4.597 4.470 0.000 0.000 0.275 158 S C -1.871 172.435 174.600 -0.491 0.000 1.345 158 S CA -0.977 56.389 58.200 -1.390 0.000 1.031 158 S CB 0.969 63.345 63.200 -1.373 0.000 0.892 158 S HN 0.272 nan 8.310 nan 0.000 0.529 159 P HA 0.078 nan 4.420 nan 0.000 0.230 159 P C 0.066 177.315 177.300 -0.086 0.000 1.158 159 P CA 0.502 63.546 63.100 -0.093 0.000 0.769 159 P CB -0.192 31.504 31.700 -0.005 0.000 0.807 160 V N -6.542 113.278 119.914 -0.158 0.000 3.114 160 V HA 0.891 5.011 4.120 0.000 0.000 0.308 160 V C 0.356 176.348 176.094 -0.170 0.000 1.168 160 V CA -0.403 61.827 62.300 -0.117 0.000 1.015 160 V CB 1.119 32.895 31.823 -0.080 0.000 1.050 160 V HN 0.354 nan 8.190 nan 0.000 0.433 161 G N 2.117 110.838 108.800 -0.133 0.000 2.539 161 G HA2 -0.149 3.811 3.960 0.000 0.000 0.256 161 G HA3 -0.149 3.811 3.960 0.000 0.000 0.256 161 G C 0.144 174.954 174.900 -0.151 0.000 1.233 161 G CA 0.680 45.659 45.100 -0.202 0.000 0.936 161 G HN 2.527 nan 8.290 nan 0.000 0.571 162 H N -0.734 118.336 119.070 -0.000 0.000 2.885 162 H HA 0.418 4.974 4.556 0.000 0.000 0.237 162 H C 0.444 175.912 175.328 0.233 0.000 1.229 162 H CA -0.139 55.969 56.048 0.101 0.000 0.947 162 H CB -0.148 29.668 29.762 0.090 0.000 2.223 162 H HN 0.500 nan 8.280 nan 0.000 0.628 163 K N 1.663 122.076 120.400 0.022 0.000 2.380 163 K HA 0.324 4.644 4.320 0.000 0.000 0.267 163 K C -0.362 176.321 176.600 0.138 0.000 0.990 163 K CA 0.045 56.348 56.287 0.027 0.000 0.946 163 K CB 1.171 33.546 32.500 -0.208 0.000 0.937 163 K HN 0.205 nan 8.250 nan 0.000 0.491 164 L N 1.488 122.807 121.223 0.161 0.000 2.381 164 L HA 0.595 4.935 4.340 0.000 0.000 0.268 164 L C -0.971 176.053 176.870 0.258 0.000 0.997 164 L CA -0.858 54.031 54.840 0.080 0.000 0.818 164 L CB 2.097 44.064 42.059 -0.154 0.000 1.310 164 L HN 0.709 nan 8.230 nan 0.000 0.416 165 A N 2.948 125.916 122.820 0.248 0.000 2.374 165 A HA 0.790 5.110 4.320 0.000 0.000 0.305 165 A C -1.582 176.005 177.584 0.004 0.000 1.053 165 A CA -0.374 51.713 52.037 0.083 0.000 0.726 165 A CB 1.262 20.251 19.000 -0.019 0.000 1.229 165 A HN 0.656 nan 8.150 nan 0.000 0.431 166 Y N -0.406 119.841 120.300 -0.088 0.000 2.609 166 Y HA 0.802 5.352 4.550 0.000 0.000 0.342 166 Y C -1.174 174.731 175.900 0.007 0.000 1.058 166 Y CA -1.557 56.468 58.100 -0.125 0.000 1.055 166 Y CB 1.270 39.588 38.460 -0.237 0.000 1.292 166 Y HN 0.395 nan 8.280 nan 0.000 0.476 167 V N 1.937 121.986 119.914 0.223 0.000 2.495 167 V HA 0.377 4.497 4.120 0.000 0.000 0.298 167 V C -1.486 174.832 176.094 0.374 0.000 1.031 167 V CA -0.636 61.777 62.300 0.188 0.000 0.871 167 V CB 1.389 33.236 31.823 0.039 0.000 0.988 167 V HN 0.876 nan 8.190 nan 0.000 0.432 168 W N 4.758 126.160 121.300 0.169 0.000 3.042 168 W HA 0.449 5.109 4.660 0.000 0.000 0.337 168 W C 0.244 176.817 176.519 0.091 0.000 1.086 168 W CA -0.808 56.607 57.345 0.117 0.000 1.236 168 W CB 1.241 30.744 29.460 0.071 0.000 1.381 168 W HN 0.789 nan 8.180 nan 0.000 0.472 169 N N 5.701 124.075 118.700 -0.544 0.000 2.702 169 N HA -0.368 4.372 4.740 0.000 0.000 0.255 169 N C 0.041 175.409 175.510 -0.236 0.000 0.983 169 N CA 1.126 53.877 53.050 -0.498 0.000 0.768 169 N CB -1.064 36.952 38.487 -0.785 0.000 0.918 169 N HN 0.761 nan 8.380 nan 0.000 0.540 170 N N -2.383 116.240 118.700 -0.128 0.000 2.850 170 N HA -0.159 4.581 4.740 0.000 0.000 0.249 170 N C -1.338 174.104 175.510 -0.114 0.000 1.060 170 N CA 0.991 53.978 53.050 -0.104 0.000 0.825 170 N CB -0.406 37.979 38.487 -0.171 0.000 1.132 170 N HN 0.498 nan 8.380 nan 0.000 0.564 171 D N 0.496 120.839 120.400 -0.094 0.000 2.527 171 D HA 0.513 5.153 4.640 0.000 0.000 0.233 171 D C 0.077 176.221 176.300 -0.260 0.000 1.063 171 D CA -0.382 53.479 54.000 -0.232 0.000 0.880 171 D CB 1.854 42.464 40.800 -0.317 0.000 1.457 171 D HN 0.002 nan 8.370 nan 0.000 0.475 172 I N 1.423 121.677 120.570 -0.527 0.000 2.385 172 I HA 0.282 4.452 4.170 0.000 0.000 0.294 172 I C -0.782 174.890 176.117 -0.742 0.000 0.988 172 I CA -0.560 60.424 61.300 -0.527 0.000 1.265 172 I CB 0.669 38.285 38.000 -0.639 0.000 1.388 172 I HN 0.150 nan 8.210 nan 0.000 0.480 173 Y N 4.104 124.017 120.300 -0.645 0.000 2.499 173 Y HA 0.638 5.188 4.550 0.000 0.000 0.347 173 Y C -0.286 175.274 175.900 -0.566 0.000 0.987 173 Y CA -0.992 56.696 58.100 -0.686 0.000 1.044 173 Y CB 2.045 39.854 38.460 -1.085 0.000 1.245 173 Y HN 0.124 nan 8.280 nan 0.000 0.461 174 V N 2.776 122.628 119.914 -0.103 0.000 2.540 174 V HA 0.455 4.575 4.120 0.000 0.000 0.302 174 V C -0.683 175.536 176.094 0.207 0.000 1.035 174 V CA -1.396 60.929 62.300 0.041 0.000 0.873 174 V CB 1.888 33.738 31.823 0.045 0.000 0.992 174 V HN 0.611 nan 8.190 nan 0.000 0.428 175 K N 4.137 124.660 120.400 0.205 0.000 2.394 175 K HA 0.488 4.808 4.320 0.000 0.000 0.260 175 K C 0.354 177.073 176.600 0.198 0.000 0.967 175 K CA -0.692 55.721 56.287 0.211 0.000 0.855 175 K CB 1.774 34.355 32.500 0.136 0.000 1.101 175 K HN 0.459 nan 8.250 nan 0.000 0.433 176 I N 1.108 121.817 120.570 0.233 0.000 2.286 176 I HA -0.100 4.070 4.170 0.000 0.000 0.245 176 I C 0.563 176.781 176.117 0.168 0.000 1.104 176 I CA 1.482 62.883 61.300 0.169 0.000 1.397 176 I CB -0.236 37.863 38.000 0.164 0.000 1.072 176 I HN 0.511 nan 8.210 nan 0.000 0.417 177 E N 0.124 120.418 120.200 0.157 0.000 2.238 177 E HA 0.283 4.633 4.350 0.000 0.000 0.267 177 E C -1.868 174.735 176.600 0.005 0.000 0.887 177 E CA -2.114 54.357 56.400 0.119 0.000 0.769 177 E CB 1.575 31.344 29.700 0.115 0.000 1.187 177 E HN -0.134 nan 8.360 nan 0.000 0.416 178 P HA -0.169 nan 4.420 nan 0.000 0.216 178 P C 0.874 178.121 177.300 -0.088 0.000 1.150 178 P CA 1.356 64.332 63.100 -0.205 0.000 0.843 178 P CB 0.276 31.653 31.700 -0.538 0.000 0.787 179 N N -1.328 117.344 118.700 -0.046 0.000 2.412 179 N HA -0.002 4.738 4.740 0.000 0.000 0.184 179 N C 0.287 175.797 175.510 -0.001 0.000 1.101 179 N CA 0.270 53.318 53.050 -0.003 0.000 0.881 179 N CB -0.344 38.161 38.487 0.030 0.000 0.969 179 N HN 0.111 nan 8.380 nan 0.000 0.459 180 L N 1.463 122.691 121.223 0.008 0.000 2.421 180 L HA 0.443 4.783 4.340 0.000 0.000 0.263 180 L C -2.091 174.764 176.870 -0.026 0.000 1.122 180 L CA -2.005 52.840 54.840 0.008 0.000 0.804 180 L CB 0.469 42.558 42.059 0.050 0.000 1.150 180 L HN -0.075 nan 8.230 nan 0.000 0.457 181 P HA 0.107 nan 4.420 nan 0.000 0.268 181 P C -1.090 176.103 177.300 -0.178 0.000 1.204 181 P CA -0.316 62.708 63.100 -0.128 0.000 0.768 181 P CB 0.407 32.005 31.700 -0.170 0.000 0.842 182 S N 2.416 118.063 115.700 -0.088 0.000 2.584 182 S HA 0.364 4.834 4.470 0.000 0.000 0.273 182 S C -0.574 173.997 174.600 -0.050 0.000 1.311 182 S CA -0.518 57.690 58.200 0.013 0.000 1.034 182 S CB 0.041 63.331 63.200 0.151 0.000 0.939 182 S HN 0.262 nan 8.310 nan 0.000 0.513 183 Y N 0.605 120.932 120.300 0.045 0.000 2.308 183 Y HA 0.412 4.962 4.550 0.000 0.000 0.329 183 Y C 1.156 176.996 175.900 -0.099 0.000 1.111 183 Y CA -0.855 57.251 58.100 0.009 0.000 1.179 183 Y CB 0.831 39.292 38.460 0.002 0.000 1.201 183 Y HN 0.499 nan 8.280 nan 0.000 0.483 184 R N 3.714 124.186 120.500 -0.048 0.000 2.265 184 R HA 0.231 4.571 4.340 0.000 0.000 0.314 184 R C 0.162 176.226 176.300 -0.394 0.000 1.053 184 R CA -0.044 55.733 56.100 -0.538 0.000 0.931 184 R CB 0.602 30.408 30.300 -0.824 0.000 1.024 184 R HN 0.785 nan 8.270 nan 0.000 0.457 185 I N 1.426 121.663 120.570 -0.554 0.000 2.556 185 I HA -0.024 4.146 4.170 0.000 0.000 0.251 185 I C 1.273 177.200 176.117 -0.317 0.000 1.105 185 I CA 0.976 62.071 61.300 -0.342 0.000 1.436 185 I CB -0.745 37.026 38.000 -0.382 0.000 1.139 185 I HN 0.503 nan 8.210 nan 0.000 0.438 186 T N -3.468 110.775 114.554 -0.518 0.000 2.912 186 T HA 0.401 4.751 4.350 0.000 0.000 0.288 186 T C -0.547 173.921 174.700 -0.387 0.000 1.030 186 T CA -0.496 61.404 62.100 -0.332 0.000 1.020 186 T CB 2.028 70.658 68.868 -0.396 0.000 1.056 186 T HN 0.204 nan 8.240 nan 0.000 0.480 187 W N 0.277 121.466 121.300 -0.185 0.000 2.714 187 W HA 0.226 4.886 4.660 0.000 0.000 0.353 187 W C 1.940 178.403 176.519 -0.093 0.000 0.999 187 W CA -0.136 57.135 57.345 -0.123 0.000 1.629 187 W CB 0.220 29.628 29.460 -0.086 0.000 1.106 187 W HN 0.918 nan 8.180 nan 0.000 0.545 188 T N -2.765 111.831 114.554 0.070 0.000 3.065 188 T HA 0.244 4.594 4.350 0.000 0.000 0.252 188 T C 1.343 176.039 174.700 -0.006 0.000 1.099 188 T CA 0.255 62.380 62.100 0.042 0.000 1.063 188 T CB -0.246 68.642 68.868 0.033 0.000 0.948 188 T HN 0.005 nan 8.240 nan 0.000 0.506 189 G N 1.509 110.276 108.800 -0.055 0.000 2.224 189 G HA2 0.315 4.275 3.960 0.000 0.000 0.239 189 G HA3 0.315 4.275 3.960 0.000 0.000 0.239 189 G C -0.548 174.290 174.900 -0.104 0.000 1.240 189 G CA -0.330 44.713 45.100 -0.095 0.000 0.896 189 G HN 0.596 nan 8.290 nan 0.000 0.496 190 K N 2.049 122.364 120.400 -0.142 0.000 2.588 190 K HA 0.224 4.544 4.320 0.000 0.000 0.250 190 K C -0.172 176.304 176.600 -0.207 0.000 0.972 190 K CA -0.731 55.474 56.287 -0.137 0.000 0.821 190 K CB 1.442 33.897 32.500 -0.076 0.000 1.249 190 K HN 0.622 nan 8.250 nan 0.000 0.442 191 E N 4.030 124.118 120.200 -0.187 0.000 2.694 191 E HA -0.147 4.203 4.350 0.000 0.000 0.250 191 E C -0.646 175.857 176.600 -0.162 0.000 0.963 191 E CA 0.963 57.249 56.400 -0.189 0.000 0.949 191 E CB 0.159 29.783 29.700 -0.127 0.000 0.911 191 E HN 0.644 nan 8.360 nan 0.000 0.500 192 D N 2.834 123.104 120.400 -0.218 0.000 3.059 192 D HA -0.213 4.427 4.640 0.000 0.000 0.220 192 D C 0.373 176.672 176.300 -0.002 0.000 1.169 192 D CA 1.345 55.324 54.000 -0.034 0.000 0.902 192 D CB -0.586 40.254 40.800 0.067 0.000 1.116 192 D HN 0.472 nan 8.370 nan 0.000 0.417 193 I N -1.400 119.084 120.570 -0.144 0.000 3.685 193 I HA 0.101 4.271 4.170 0.000 0.000 0.258 193 I C 0.712 176.848 176.117 0.032 0.000 1.135 193 I CA 0.317 61.621 61.300 0.006 0.000 1.436 193 I CB 0.024 38.025 38.000 0.002 0.000 1.670 193 I HN -0.150 nan 8.210 nan 0.000 0.424 194 I N 1.912 122.426 120.570 -0.093 0.000 2.378 194 I HA 0.285 4.455 4.170 0.000 0.000 0.291 194 I C -1.179 174.882 176.117 -0.093 0.000 0.992 194 I CA -0.665 60.646 61.300 0.018 0.000 1.154 194 I CB 0.778 38.793 38.000 0.025 0.000 1.315 194 I HN 0.056 nan 8.210 nan 0.000 0.448 195 Y N 4.830 125.220 120.300 0.151 0.000 2.328 195 Y HA 0.398 4.948 4.550 0.000 0.000 0.333 195 Y C 0.397 176.359 175.900 0.103 0.000 0.958 195 Y CA -0.697 57.492 58.100 0.149 0.000 1.167 195 Y CB 1.123 39.749 38.460 0.278 0.000 1.151 195 Y HN 0.413 nan 8.280 nan 0.000 0.470 196 N N 2.259 121.018 118.700 0.099 0.000 2.444 196 N HA 0.347 5.087 4.740 0.000 0.000 0.262 196 N C 0.801 176.234 175.510 -0.128 0.000 0.974 196 N CA 0.441 53.465 53.050 -0.044 0.000 0.933 196 N CB 1.864 40.222 38.487 -0.216 0.000 1.137 196 N HN 0.994 nan 8.380 nan 0.000 0.498 197 G N 1.583 110.314 108.800 -0.115 0.000 2.179 197 G HA2 -0.248 3.712 3.960 0.000 0.000 0.260 197 G HA3 -0.248 3.712 3.960 0.000 0.000 0.260 197 G C 0.119 174.866 174.900 -0.256 0.000 0.977 197 G CA 0.675 45.642 45.100 -0.222 0.000 0.641 197 G HN 0.655 nan 8.290 nan 0.000 0.533 198 I N -1.914 118.578 120.570 -0.130 0.000 2.969 198 I HA 0.810 4.980 4.170 0.000 0.000 0.307 198 I C 0.278 176.397 176.117 0.005 0.000 1.149 198 I CA -0.697 60.426 61.300 -0.294 0.000 1.008 198 I CB 1.956 39.624 38.000 -0.552 0.000 1.232 198 I HN 0.149 nan 8.210 nan 0.000 0.435 199 T N -0.555 113.932 114.554 -0.112 0.000 2.918 199 T HA 0.347 4.697 4.350 0.000 0.000 0.283 199 T C -0.101 174.354 174.700 -0.408 0.000 1.001 199 T CA -0.653 61.248 62.100 -0.332 0.000 1.041 199 T CB 1.386 70.176 68.868 -0.129 0.000 1.028 199 T HN 0.767 nan 8.240 nan 0.000 0.511 200 D N 0.367 120.253 120.400 -0.856 0.000 2.376 200 D HA -0.007 4.633 4.640 0.000 0.000 0.268 200 D C 1.046 177.273 176.300 -0.122 0.000 1.252 200 D CA -0.877 52.683 54.000 -0.732 0.000 1.041 200 D CB -0.052 40.305 40.800 -0.738 0.000 1.109 200 D HN 0.681 nan 8.370 nan 0.000 0.552 201 W N -0.276 120.974 121.300 -0.083 0.000 2.353 201 W HA -0.169 4.491 4.660 0.000 0.000 0.319 201 W C 2.215 178.640 176.519 -0.157 0.000 1.207 201 W CA 2.298 59.597 57.345 -0.076 0.000 1.291 201 W CB -0.578 28.783 29.460 -0.165 0.000 1.159 201 W HN 0.158 nan 8.180 nan 0.000 0.478 202 V N -0.061 119.873 119.914 0.034 0.000 2.548 202 V HA -0.256 3.864 4.120 0.000 0.000 0.249 202 V C 1.830 177.696 176.094 -0.380 0.000 1.055 202 V CA 1.850 64.033 62.300 -0.195 0.000 1.065 202 V CB -0.724 31.039 31.823 -0.101 0.000 0.681 202 V HN 0.304 nan 8.190 nan 0.000 0.462 203 Y N 0.730 120.816 120.300 -0.357 0.000 2.263 203 Y HA -0.152 4.398 4.550 0.000 0.000 0.292 203 Y C 2.573 178.319 175.900 -0.257 0.000 1.130 203 Y CA 2.092 59.972 58.100 -0.366 0.000 1.179 203 Y CB -0.019 38.114 38.460 -0.544 0.000 0.998 203 Y HN 0.410 nan 8.280 nan 0.000 0.532 204 E N 0.367 120.498 120.200 -0.115 0.000 2.047 204 E HA -0.275 4.075 4.350 0.000 0.000 0.191 204 E C 1.966 178.489 176.600 -0.127 0.000 0.987 204 E CA 1.544 57.913 56.400 -0.050 0.000 0.799 204 E CB 0.017 29.714 29.700 -0.006 0.000 0.752 204 E HN 0.420 nan 8.360 nan 0.000 0.449 205 E N 0.071 120.010 120.200 -0.436 0.000 2.122 205 E HA -0.113 4.237 4.350 0.000 0.000 0.190 205 E C 1.571 178.004 176.600 -0.278 0.000 0.977 205 E CA 1.234 57.364 56.400 -0.450 0.000 0.820 205 E CB 0.243 29.298 29.700 -1.075 0.000 0.770 205 E HN 0.197 nan 8.360 nan 0.000 0.462 206 E N -0.594 119.403 120.200 -0.339 0.000 2.465 206 E HA 0.066 4.416 4.350 0.000 0.000 0.209 206 E C 1.672 178.084 176.600 -0.313 0.000 0.951 206 E CA 0.769 57.017 56.400 -0.254 0.000 0.997 206 E CB 1.180 30.728 29.700 -0.254 0.000 1.025 206 E HN 0.287 nan 8.360 nan 0.000 0.500 207 V N -1.525 118.145 119.914 -0.408 0.000 2.840 207 V HA 0.117 4.237 4.120 0.000 0.000 0.234 207 V C 1.230 177.073 176.094 -0.417 0.000 1.159 207 V CA 0.392 62.385 62.300 -0.512 0.000 1.194 207 V CB -0.278 31.061 31.823 -0.807 0.000 0.971 207 V HN -0.029 nan 8.190 nan 0.000 0.494 208 F N 1.715 121.659 119.950 -0.011 0.000 2.776 208 F HA 0.447 4.974 4.527 0.000 0.000 0.300 208 F C 1.739 177.479 175.800 -0.100 0.000 1.116 208 F CA 0.511 58.516 58.000 0.009 0.000 1.375 208 F CB -0.581 38.467 39.000 0.080 0.000 1.109 208 F HN 0.227 nan 8.300 nan 0.000 0.585 209 S N 0.218 115.904 115.700 -0.024 0.000 3.477 209 S HA -0.076 4.394 4.470 0.000 0.000 0.357 209 S C 0.221 174.373 174.600 -0.747 0.000 1.083 209 S CA 0.505 58.560 58.200 -0.241 0.000 1.042 209 S CB -1.590 61.553 63.200 -0.096 0.000 0.911 209 S HN 0.617 nan 8.310 nan 0.000 0.490 210 A N -0.803 121.781 122.820 -0.392 0.000 2.606 210 A HA 0.735 5.055 4.320 0.000 0.000 0.293 210 A C -0.167 177.345 177.584 -0.121 0.000 1.082 210 A CA -0.512 51.313 52.037 -0.355 0.000 0.685 210 A CB 0.473 19.322 19.000 -0.252 0.000 1.284 210 A HN 0.209 nan 8.150 nan 0.000 0.408 211 Y N 1.512 121.606 120.300 -0.343 0.000 2.269 211 Y HA 0.151 4.701 4.550 0.000 0.000 0.294 211 Y C 1.676 177.272 175.900 -0.506 0.000 1.120 211 Y CA 1.119 59.032 58.100 -0.312 0.000 1.159 211 Y CB -0.193 38.100 38.460 -0.279 0.000 1.024 211 Y HN 0.670 nan 8.280 nan 0.000 0.532 212 S N 0.746 115.886 115.700 -0.933 0.000 2.546 212 S HA 0.320 4.790 4.470 0.000 0.000 0.290 212 S C 0.294 174.349 174.600 -0.908 0.000 1.290 212 S CA 0.291 57.703 58.200 -1.313 0.000 1.069 212 S CB 0.141 62.284 63.200 -1.763 0.000 0.846 212 S HN 0.463 nan 8.310 nan 0.000 0.495 213 A N 4.774 127.078 122.820 -0.859 0.000 2.959 213 A HA 0.524 4.844 4.320 0.000 0.000 0.280 213 A C -0.869 175.962 177.584 -1.255 0.000 0.953 213 A CA -0.654 50.802 52.037 -0.968 0.000 1.047 213 A CB -0.306 18.553 19.000 -0.235 0.000 1.147 213 A HN 0.841 nan 8.150 nan 0.000 0.489 214 L N -4.407 115.970 121.223 -1.410 0.000 2.422 214 L HA 0.861 5.201 4.340 0.000 0.000 0.264 214 L C -1.239 175.099 176.870 -0.885 0.000 0.984 214 L CA -1.398 52.873 54.840 -0.949 0.000 0.819 214 L CB 0.944 42.734 42.059 -0.447 0.000 1.330 214 L HN 0.240 nan 8.230 nan 0.000 0.410 215 W N 1.483 122.777 121.300 -0.010 0.000 2.647 215 W HA 0.352 5.012 4.660 0.000 0.000 0.328 215 W C -1.406 175.279 176.519 0.276 0.000 1.018 215 W CA -0.742 56.723 57.345 0.199 0.000 1.245 215 W CB 1.569 31.215 29.460 0.310 0.000 1.356 215 W HN 0.613 nan 8.180 nan 0.000 0.443 216 W N 2.316 123.809 121.300 0.322 0.000 2.170 216 W HA 0.217 4.877 4.660 0.000 0.000 0.336 216 W C 1.292 177.553 176.519 -0.429 0.000 1.283 216 W CA 0.302 57.682 57.345 0.058 0.000 1.224 216 W CB 0.746 30.223 29.460 0.027 0.000 1.132 216 W HN 0.194 nan 8.180 nan 0.000 0.571 217 S N 2.475 117.798 115.700 -0.628 0.000 2.593 217 S HA 0.190 4.660 4.470 0.000 0.000 0.269 217 S C -1.736 172.603 174.600 -0.435 0.000 1.334 217 S CA -1.037 56.300 58.200 -1.439 0.000 1.015 217 S CB 1.212 63.627 63.200 -1.309 0.000 0.912 217 S HN 0.275 nan 8.310 nan 0.000 0.541 218 P HA -0.187 nan 4.420 nan 0.000 0.217 218 P C 0.913 178.185 177.300 -0.048 0.000 1.158 218 P CA 1.800 64.870 63.100 -0.051 0.000 0.887 218 P CB -0.210 31.505 31.700 0.026 0.000 0.792 219 N N -2.218 116.444 118.700 -0.063 0.000 2.270 219 N HA 0.132 4.872 4.740 0.000 0.000 0.198 219 N C 1.064 176.510 175.510 -0.106 0.000 1.117 219 N CA 0.586 53.596 53.050 -0.066 0.000 0.845 219 N CB -0.592 37.872 38.487 -0.038 0.000 0.980 219 N HN 0.199 nan 8.380 nan 0.000 0.486 220 G N -1.137 107.609 108.800 -0.090 0.000 2.157 220 G HA2 -0.318 3.642 3.960 0.000 0.000 0.239 220 G HA3 -0.318 3.642 3.960 0.000 0.000 0.239 220 G C 0.945 175.877 174.900 0.053 0.000 0.982 220 G CA 0.599 45.659 45.100 -0.067 0.000 0.650 220 G HN 0.353 nan 8.290 nan 0.000 0.527 221 T N 0.049 114.563 114.554 -0.067 0.000 2.674 221 T HA 0.161 4.511 4.350 0.000 0.000 0.265 221 T C 0.819 175.351 174.700 -0.280 0.000 1.039 221 T CA 1.411 63.357 62.100 -0.258 0.000 1.150 221 T CB -0.111 68.476 68.868 -0.468 0.000 0.864 221 T HN 0.303 nan 8.240 nan 0.000 0.427 222 F N 0.189 120.162 119.950 0.037 0.000 2.458 222 F HA 0.553 5.080 4.527 0.000 0.000 0.330 222 F C -0.045 175.788 175.800 0.056 0.000 1.082 222 F CA -1.224 56.823 58.000 0.079 0.000 0.995 222 F CB 1.140 40.236 39.000 0.161 0.000 1.170 222 F HN -0.083 nan 8.300 nan 0.000 0.478 223 L N 3.141 124.471 121.223 0.178 0.000 2.318 223 L HA 0.659 4.999 4.340 0.000 0.000 0.277 223 L C -0.539 176.400 176.870 0.115 0.000 1.008 223 L CA -0.518 54.246 54.840 -0.128 0.000 0.846 223 L CB 0.724 42.492 42.059 -0.485 0.000 1.220 223 L HN 0.804 nan 8.230 nan 0.000 0.423 224 A N 4.993 127.964 122.820 0.253 0.000 2.302 224 A HA 0.669 4.989 4.320 0.000 0.000 0.285 224 A C -1.177 176.451 177.584 0.073 0.000 1.105 224 A CA -0.210 51.867 52.037 0.066 0.000 0.816 224 A CB 0.718 19.820 19.000 0.170 0.000 1.067 224 A HN 0.729 nan 8.150 nan 0.000 0.489 225 Y N -2.061 118.018 120.300 -0.369 0.000 2.609 225 Y HA 0.738 5.288 4.550 0.000 0.000 0.336 225 Y C -0.305 175.379 175.900 -0.361 0.000 1.129 225 Y CA -0.893 57.053 58.100 -0.256 0.000 1.040 225 Y CB 0.838 39.139 38.460 -0.264 0.000 1.310 225 Y HN 0.902 nan 8.280 nan 0.000 0.460 226 A N 1.982 124.838 122.820 0.061 0.000 2.294 226 A HA 0.684 5.004 4.320 0.000 0.000 0.330 226 A C -1.126 176.349 177.584 -0.182 0.000 1.133 226 A CA -0.822 51.124 52.037 -0.151 0.000 0.836 226 A CB 1.710 20.614 19.000 -0.159 0.000 1.190 226 A HN 0.801 nan 8.150 nan 0.000 0.492 227 Q N 0.745 120.345 119.800 -0.333 0.000 2.337 227 Q HA 0.604 4.944 4.340 0.000 0.000 0.270 227 Q C -2.168 173.587 176.000 -0.408 0.000 1.043 227 Q CA -0.371 55.342 55.803 -0.150 0.000 0.794 227 Q CB 1.246 30.144 28.738 0.267 0.000 1.281 227 Q HN 0.593 nan 8.270 nan 0.000 0.446 228 F N 2.413 122.472 119.950 0.181 0.000 2.467 228 F HA 0.386 4.913 4.527 0.000 0.000 0.336 228 F C 0.306 176.261 175.800 0.259 0.000 1.123 228 F CA -0.920 57.169 58.000 0.149 0.000 0.964 228 F CB 1.490 40.502 39.000 0.020 0.000 1.136 228 F HN 0.408 nan 8.300 nan 0.000 0.447 229 N N 2.270 121.187 118.700 0.362 0.000 2.469 229 N HA 0.192 4.932 4.740 0.000 0.000 0.253 229 N C -0.701 174.984 175.510 0.292 0.000 0.970 229 N CA -0.185 53.038 53.050 0.287 0.000 0.940 229 N CB 1.059 39.662 38.487 0.193 0.000 1.128 229 N HN 0.595 nan 8.380 nan 0.000 0.503 230 D N 1.364 121.956 120.400 0.320 0.000 2.424 230 D HA 0.129 4.769 4.640 0.000 0.000 0.220 230 D C 1.240 177.659 176.300 0.197 0.000 1.150 230 D CA 0.108 54.279 54.000 0.285 0.000 0.831 230 D CB 0.602 41.640 40.800 0.397 0.000 0.981 230 D HN 0.454 nan 8.370 nan 0.000 0.500 231 T N 0.312 114.961 114.554 0.158 0.000 2.592 231 T HA -0.227 4.123 4.350 0.000 0.000 0.267 231 T C 1.360 176.119 174.700 0.098 0.000 1.060 231 T CA 1.433 63.600 62.100 0.111 0.000 1.167 231 T CB -0.074 68.848 68.868 0.091 0.000 0.863 231 T HN 0.223 nan 8.240 nan 0.000 0.431 232 E N 0.237 120.495 120.200 0.096 0.000 2.444 232 E HA 0.167 4.517 4.350 0.000 0.000 0.191 232 E C -0.464 176.188 176.600 0.087 0.000 1.041 232 E CA -0.272 56.176 56.400 0.080 0.000 0.883 232 E CB 0.498 30.238 29.700 0.066 0.000 1.024 232 E HN 0.183 nan 8.360 nan 0.000 0.470 233 V N 4.218 124.199 119.914 0.112 0.000 2.479 233 V HA 0.076 4.196 4.120 0.000 0.000 0.281 233 V C -1.778 174.379 176.094 0.105 0.000 1.031 233 V CA -1.380 60.991 62.300 0.117 0.000 1.038 233 V CB 0.112 32.025 31.823 0.150 0.000 0.981 233 V HN 0.123 nan 8.190 nan 0.000 0.478 234 P HA 0.217 nan 4.420 nan 0.000 0.272 234 P C -0.766 176.580 177.300 0.077 0.000 1.230 234 P CA -0.255 62.889 63.100 0.074 0.000 0.788 234 P CB 0.823 32.563 31.700 0.068 0.000 0.949 235 L N 1.513 122.759 121.223 0.038 0.000 2.309 235 L HA 0.420 4.760 4.340 0.000 0.000 0.282 235 L C 0.664 177.498 176.870 -0.060 0.000 1.036 235 L CA -1.164 53.680 54.840 0.008 0.000 0.806 235 L CB 1.095 43.149 42.059 -0.009 0.000 1.220 235 L HN 0.282 nan 8.230 nan 0.000 0.429 236 I N 2.920 123.406 120.570 -0.139 0.000 2.395 236 I HA 0.208 4.378 4.170 0.000 0.000 0.289 236 I C -0.174 175.793 176.117 -0.249 0.000 1.023 236 I CA 0.166 61.282 61.300 -0.306 0.000 1.350 236 I CB 0.738 38.305 38.000 -0.722 0.000 1.409 236 I HN 0.635 nan 8.210 nan 0.000 0.507 237 E N 7.430 127.505 120.200 -0.208 0.000 2.266 237 E HA 0.569 4.919 4.350 0.000 0.000 0.268 237 E C -1.747 174.787 176.600 -0.110 0.000 0.879 237 E CA -0.748 55.527 56.400 -0.207 0.000 0.762 237 E CB 1.911 31.512 29.700 -0.165 0.000 1.199 237 E HN 0.569 nan 8.360 nan 0.000 0.422 238 Y N -1.625 118.577 120.300 -0.164 0.000 2.581 238 Y HA 0.538 5.088 4.550 0.000 0.000 0.337 238 Y C -0.908 174.908 175.900 -0.141 0.000 1.108 238 Y CA -1.302 56.705 58.100 -0.155 0.000 1.033 238 Y CB 1.072 39.440 38.460 -0.154 0.000 1.318 238 Y HN 0.344 nan 8.280 nan 0.000 0.459 239 S N 2.434 118.118 115.700 -0.027 0.000 2.548 239 S HA 0.421 4.891 4.470 0.000 0.000 0.277 239 S C -1.231 173.192 174.600 -0.296 0.000 1.315 239 S CA -0.288 57.755 58.200 -0.261 0.000 1.050 239 S CB 0.188 63.118 63.200 -0.451 0.000 0.918 239 S HN 0.535 nan 8.310 nan 0.000 0.497 240 F N 2.160 121.836 119.950 -0.457 0.000 2.507 240 F HA 0.451 4.978 4.527 0.000 0.000 0.325 240 F C -0.214 175.329 175.800 -0.428 0.000 1.116 240 F CA -0.811 56.981 58.000 -0.346 0.000 0.930 240 F CB 1.010 39.959 39.000 -0.085 0.000 1.146 240 F HN 0.662 nan 8.300 nan 0.000 0.447 241 Y N 2.413 122.517 120.300 -0.327 0.000 2.509 241 Y HA 0.196 4.746 4.550 0.000 0.000 0.270 241 Y C 1.535 177.401 175.900 -0.057 0.000 1.103 241 Y CA 0.751 58.763 58.100 -0.147 0.000 1.278 241 Y CB -0.287 38.065 38.460 -0.180 0.000 1.087 241 Y HN 0.734 nan 8.280 nan 0.000 0.542 242 S N -0.014 115.699 115.700 0.020 0.000 3.513 242 S HA -0.217 4.253 4.470 0.000 0.000 0.636 242 S C -0.636 174.034 174.600 0.116 0.000 2.452 242 S CA 0.261 58.577 58.200 0.193 0.000 2.644 242 S CB -1.015 62.350 63.200 0.276 0.000 0.331 242 S HN 0.465 nan 8.310 nan 0.000 1.787 243 D N 2.031 122.503 120.400 0.120 0.000 2.449 243 D HA 0.130 4.770 4.640 0.000 0.000 0.236 243 D C 1.483 177.822 176.300 0.063 0.000 1.149 243 D CA 0.680 54.728 54.000 0.079 0.000 0.878 243 D CB 0.300 41.144 40.800 0.074 0.000 1.198 243 D HN 0.698 nan 8.370 nan 0.000 0.446 244 E N 0.007 120.230 120.200 0.039 0.000 2.396 244 E HA -0.191 4.159 4.350 0.000 0.000 0.200 244 E C 1.111 177.727 176.600 0.027 0.000 1.023 244 E CA 0.951 57.365 56.400 0.023 0.000 0.857 244 E CB -0.066 29.636 29.700 0.004 0.000 0.775 244 E HN 0.328 nan 8.360 nan 0.000 0.525 245 S N 0.949 116.672 115.700 0.037 0.000 2.423 245 S HA -0.075 4.395 4.470 0.000 0.000 0.231 245 S C 1.229 175.859 174.600 0.051 0.000 1.014 245 S CA 0.156 58.379 58.200 0.038 0.000 0.965 245 S CB -0.306 62.918 63.200 0.041 0.000 0.785 245 S HN 0.352 nan 8.310 nan 0.000 0.495 246 L N 2.958 124.222 121.223 0.067 0.000 2.456 246 L HA 0.151 4.491 4.340 0.000 0.000 0.277 246 L C 1.469 178.389 176.870 0.084 0.000 1.124 246 L CA 0.201 55.094 54.840 0.088 0.000 0.880 246 L CB 0.897 43.023 42.059 0.113 0.000 1.192 246 L HN 0.455 nan 8.230 nan 0.000 0.463 247 Q N 4.650 124.508 119.800 0.097 0.000 2.046 247 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 247 Q C -0.578 175.412 176.000 -0.017 0.000 0.975 247 Q CA 1.351 57.183 55.803 0.048 0.000 0.836 247 Q CB 0.152 28.949 28.738 0.098 0.000 0.896 247 Q HN 0.633 nan 8.270 nan 0.000 0.428 248 Y N 0.778 121.097 120.300 0.031 0.000 2.341 248 Y HA 0.388 4.938 4.550 0.000 0.000 0.337 248 Y C -2.036 173.887 175.900 0.039 0.000 1.014 248 Y CA -2.993 55.125 58.100 0.030 0.000 1.111 248 Y CB 1.215 39.682 38.460 0.013 0.000 1.194 248 Y HN 0.161 nan 8.280 nan 0.000 0.462 249 P HA -0.004 nan 4.420 nan 0.000 0.266 249 P C -0.595 176.736 177.300 0.052 0.000 1.195 249 P CA -0.290 62.865 63.100 0.090 0.000 0.768 249 P CB 0.640 32.367 31.700 0.046 0.000 0.838 250 K N 1.665 122.080 120.400 0.025 0.000 2.218 250 K HA 0.251 4.571 4.320 0.000 0.000 0.276 250 K C -0.537 176.025 176.600 -0.063 0.000 1.022 250 K CA -0.211 56.079 56.287 0.006 0.000 0.946 250 K CB 0.405 32.929 32.500 0.041 0.000 1.000 250 K HN 0.350 nan 8.250 nan 0.000 0.468 251 T N 3.364 117.865 114.554 -0.088 0.000 2.738 251 T HA 0.174 4.524 4.350 0.000 0.000 0.298 251 T C -0.329 174.246 174.700 -0.209 0.000 0.962 251 T CA -0.599 61.410 62.100 -0.151 0.000 0.972 251 T CB 0.852 69.647 68.868 -0.122 0.000 0.928 251 T HN 0.270 nan 8.240 nan 0.000 0.474 252 V N 6.252 125.950 119.914 -0.360 0.000 2.614 252 V HA 0.402 4.522 4.120 0.000 0.000 0.291 252 V C 0.624 176.441 176.094 -0.461 0.000 1.049 252 V CA -0.376 61.653 62.300 -0.452 0.000 1.038 252 V CB 0.351 31.716 31.823 -0.763 0.000 0.980 252 V HN 0.781 nan 8.190 nan 0.000 0.481 253 R N 3.483 123.833 120.500 -0.251 0.000 2.628 253 R HA 0.842 5.182 4.340 0.000 0.000 0.288 253 R C -2.140 174.125 176.300 -0.059 0.000 0.980 253 R CA -0.687 55.305 56.100 -0.181 0.000 0.891 253 R CB 1.931 32.158 30.300 -0.121 0.000 1.188 253 R HN 0.355 nan 8.270 nan 0.000 0.450 254 V N 2.861 122.748 119.914 -0.046 0.000 2.668 254 V HA 0.351 4.471 4.120 0.000 0.000 0.304 254 V C -2.470 173.674 176.094 0.084 0.000 1.071 254 V CA -2.172 60.169 62.300 0.067 0.000 0.894 254 V CB 2.503 34.333 31.823 0.012 0.000 1.008 254 V HN 0.708 nan 8.190 nan 0.000 0.425 255 P HA 0.184 nan 4.420 nan 0.000 0.265 255 P C -1.406 176.021 177.300 0.211 0.000 1.222 255 P CA 0.337 63.552 63.100 0.192 0.000 0.767 255 P CB -0.142 31.714 31.700 0.261 0.000 0.801 256 Y N 6.142 126.438 120.300 -0.006 0.000 2.287 256 Y HA 0.359 4.909 4.550 0.000 0.000 0.321 256 Y C -2.858 173.031 175.900 -0.019 0.000 1.173 256 Y CA -2.732 55.320 58.100 -0.081 0.000 1.124 256 Y CB 1.761 40.048 38.460 -0.288 0.000 1.201 256 Y HN 0.273 nan 8.280 nan 0.000 0.421 257 P HA 0.292 nan 4.420 nan 0.000 0.288 257 P C -0.806 176.532 177.300 0.065 0.000 1.363 257 P CA -0.220 62.916 63.100 0.060 0.000 0.837 257 P CB 1.078 32.794 31.700 0.027 0.000 0.981 258 K N 1.933 122.476 120.400 0.238 0.000 2.132 258 K HA 0.446 4.766 4.320 0.000 0.000 0.240 258 K C 0.666 177.362 176.600 0.160 0.000 1.036 258 K CA -0.601 55.840 56.287 0.256 0.000 0.888 258 K CB 0.363 33.036 32.500 0.288 0.000 1.071 258 K HN 0.423 nan 8.250 nan 0.000 0.502 259 A N 0.673 123.609 122.820 0.193 0.000 2.548 259 A HA 0.313 4.633 4.320 0.000 0.000 0.247 259 A C 1.174 178.798 177.584 0.065 0.000 1.067 259 A CA 0.828 52.966 52.037 0.168 0.000 0.757 259 A CB -1.114 18.070 19.000 0.307 0.000 0.996 259 A HN 0.881 nan 8.150 nan 0.000 0.504 260 G N 0.918 109.746 108.800 0.046 0.000 2.179 260 G HA2 0.087 4.047 3.960 0.000 0.000 0.260 260 G HA3 0.087 4.047 3.960 0.000 0.000 0.260 260 G C 0.708 175.618 174.900 0.017 0.000 0.977 260 G CA 0.798 45.898 45.100 -0.001 0.000 0.641 260 G HN 2.093 nan 8.290 nan 0.000 0.533 261 A N -0.576 122.271 122.820 0.046 0.000 2.260 261 A HA 0.748 5.068 4.320 0.000 0.000 0.278 261 A C 0.803 178.419 177.584 0.052 0.000 1.269 261 A CA 0.382 52.451 52.037 0.054 0.000 0.824 261 A CB 0.480 19.528 19.000 0.081 0.000 1.238 261 A HN 1.129 nan 8.150 nan 0.000 0.507 262 V N 2.232 122.181 119.914 0.058 0.000 2.455 262 V HA 0.096 4.216 4.120 0.000 0.000 0.273 262 V C 0.152 176.291 176.094 0.075 0.000 1.045 262 V CA -0.420 61.915 62.300 0.058 0.000 0.976 262 V CB 0.032 31.890 31.823 0.059 0.000 0.993 262 V HN 0.749 nan 8.190 nan 0.000 0.475 263 N N 6.483 125.225 118.700 0.071 0.000 2.445 263 N HA 0.410 5.150 4.740 0.000 0.000 0.264 263 N C -2.231 173.358 175.510 0.132 0.000 1.227 263 N CA -1.403 51.708 53.050 0.101 0.000 0.963 263 N CB 0.658 39.197 38.487 0.087 0.000 1.188 263 N HN 0.390 nan 8.380 nan 0.000 0.491 264 P HA 0.078 nan 4.420 nan 0.000 0.271 264 P C -0.505 176.937 177.300 0.236 0.000 1.244 264 P CA -0.055 63.198 63.100 0.255 0.000 0.793 264 P CB 0.272 32.182 31.700 0.351 0.000 0.984 265 T N -2.777 111.910 114.554 0.223 0.000 2.924 265 T HA 0.606 4.956 4.350 0.000 0.000 0.291 265 T C -0.533 174.281 174.700 0.190 0.000 1.045 265 T CA -0.883 61.299 62.100 0.137 0.000 1.015 265 T CB 1.552 70.469 68.868 0.081 0.000 1.103 265 T HN 0.341 nan 8.240 nan 0.000 0.496 266 V N 0.606 120.594 119.914 0.124 0.000 2.823 266 V HA 0.811 4.931 4.120 0.000 0.000 0.312 266 V C -1.466 174.672 176.094 0.073 0.000 1.072 266 V CA -0.806 61.532 62.300 0.062 0.000 0.937 266 V CB 2.011 33.907 31.823 0.122 0.000 1.013 266 V HN 1.051 nan 8.190 nan 0.000 0.430 267 K N 4.106 124.484 120.400 -0.037 0.000 2.477 267 K HA 0.570 4.890 4.320 0.000 0.000 0.255 267 K C -1.981 174.488 176.600 -0.217 0.000 0.952 267 K CA -0.467 55.764 56.287 -0.092 0.000 0.826 267 K CB 2.774 35.188 32.500 -0.142 0.000 1.331 267 K HN 0.572 nan 8.250 nan 0.000 0.437 268 F N 2.108 121.718 119.950 -0.567 0.000 2.520 268 F HA 0.581 5.108 4.527 0.000 0.000 0.322 268 F C -1.437 173.798 175.800 -0.942 0.000 1.103 268 F CA -0.536 57.125 58.000 -0.564 0.000 0.926 268 F CB 0.879 39.701 39.000 -0.297 0.000 1.154 268 F HN 0.383 nan 8.300 nan 0.000 0.453 269 F N 3.800 123.109 119.950 -1.068 0.000 2.613 269 F HA 0.766 5.293 4.527 0.000 0.000 0.314 269 F C -1.026 174.216 175.800 -0.930 0.000 1.075 269 F CA -1.195 56.282 58.000 -0.873 0.000 0.945 269 F CB 2.067 40.423 39.000 -1.074 0.000 1.310 269 F HN 0.099 nan 8.300 nan 0.000 0.467 270 V N 2.268 122.030 119.914 -0.254 0.000 2.709 270 V HA 0.684 4.804 4.120 0.000 0.000 0.308 270 V C -1.191 175.021 176.094 0.197 0.000 1.062 270 V CA -0.848 61.382 62.300 -0.117 0.000 0.901 270 V CB 2.084 33.673 31.823 -0.389 0.000 1.003 270 V HN 0.633 nan 8.190 nan 0.000 0.425 271 V N 3.885 123.970 119.914 0.285 0.000 2.823 271 V HA 0.571 4.691 4.120 0.000 0.000 0.312 271 V C -0.389 175.920 176.094 0.359 0.000 1.072 271 V CA -0.647 61.837 62.300 0.307 0.000 0.937 271 V CB 2.136 34.078 31.823 0.199 0.000 1.013 271 V HN 0.994 nan 8.190 nan 0.000 0.430 272 N N 2.843 121.702 118.700 0.264 0.000 2.437 272 N HA 0.216 4.956 4.740 0.000 0.000 0.243 272 N C 1.191 176.673 175.510 -0.048 0.000 1.041 272 N CA 0.340 53.414 53.050 0.039 0.000 0.940 272 N CB 1.209 39.693 38.487 -0.004 0.000 1.133 272 N HN 0.921 nan 8.380 nan 0.000 0.506 273 T N -0.033 114.481 114.554 -0.067 0.000 3.035 273 T HA -0.059 4.291 4.350 0.000 0.000 0.268 273 T C 0.836 175.458 174.700 -0.129 0.000 1.109 273 T CA 0.789 62.848 62.100 -0.069 0.000 1.119 273 T CB 0.082 68.995 68.868 0.075 0.000 0.900 273 T HN 0.379 nan 8.240 nan 0.000 0.503 274 D N 2.232 122.544 120.400 -0.147 0.000 2.234 274 D HA 0.011 4.651 4.640 0.000 0.000 0.205 274 D C 1.320 177.553 176.300 -0.111 0.000 0.962 274 D CA 1.020 54.939 54.000 -0.134 0.000 0.855 274 D CB -0.069 40.638 40.800 -0.154 0.000 0.951 274 D HN 0.637 nan 8.370 nan 0.000 0.500 275 S N 0.398 116.037 115.700 -0.101 0.000 2.560 275 S HA 0.349 4.819 4.470 0.000 0.000 0.227 275 S C 0.298 174.851 174.600 -0.078 0.000 1.280 275 S CA -0.601 57.563 58.200 -0.061 0.000 1.260 275 S CB -0.281 62.910 63.200 -0.015 0.000 1.002 275 S HN 0.009 nan 8.310 nan 0.000 0.509 276 L N 1.075 122.188 121.223 -0.182 0.000 2.357 276 L HA 0.452 4.792 4.340 0.000 0.000 0.273 276 L C 1.403 178.205 176.870 -0.113 0.000 1.080 276 L CA -0.451 54.221 54.840 -0.280 0.000 0.803 276 L CB 1.656 43.236 42.059 -0.798 0.000 1.174 276 L HN 0.467 nan 8.230 nan 0.000 0.443 277 S N 0.464 116.218 115.700 0.090 0.000 2.541 277 S HA -0.057 4.413 4.470 0.000 0.000 0.219 277 S C 1.247 176.037 174.600 0.317 0.000 1.025 277 S CA 0.813 59.124 58.200 0.185 0.000 0.917 277 S CB 0.104 63.381 63.200 0.129 0.000 0.859 277 S HN 0.990 nan 8.310 nan 0.000 0.584 278 S N -1.169 114.748 115.700 0.362 0.000 2.857 278 S HA -0.142 4.328 4.470 0.000 0.000 0.268 278 S C 0.715 175.385 174.600 0.118 0.000 1.297 278 S CA 1.143 59.452 58.200 0.182 0.000 1.280 278 S CB -2.062 61.185 63.200 0.078 0.000 1.562 278 S HN 0.658 nan 8.310 nan 0.000 0.661 279 V N 0.549 120.536 119.914 0.121 0.000 3.539 279 V HA 0.349 4.469 4.120 0.000 0.000 0.262 279 V C 0.824 176.963 176.094 0.075 0.000 1.381 279 V CA 0.996 63.345 62.300 0.081 0.000 1.060 279 V CB 0.929 32.791 31.823 0.064 0.000 0.842 279 V HN 0.681 nan 8.190 nan 0.000 0.445 280 T N 0.979 115.590 114.554 0.096 0.000 2.863 280 T HA 0.403 4.753 4.350 0.000 0.000 0.285 280 T C -0.371 174.398 174.700 0.115 0.000 1.009 280 T CA -0.543 61.604 62.100 0.078 0.000 0.989 280 T CB 1.497 70.403 68.868 0.063 0.000 1.004 280 T HN 0.041 nan 8.240 nan 0.000 0.455 281 N N 2.118 120.872 118.700 0.089 0.000 2.357 281 N HA 0.246 4.986 4.740 0.000 0.000 0.257 281 N C 0.244 175.827 175.510 0.121 0.000 1.250 281 N CA 0.029 53.160 53.050 0.135 0.000 0.862 281 N CB 0.374 38.873 38.487 0.021 0.000 1.066 281 N HN 0.871 nan 8.380 nan 0.000 0.468 282 A N 2.405 125.313 122.820 0.146 0.000 2.483 282 A HA 0.228 4.548 4.320 0.000 0.000 0.238 282 A C 0.373 178.010 177.584 0.088 0.000 1.070 282 A CA 0.067 52.161 52.037 0.096 0.000 0.770 282 A CB 0.136 19.175 19.000 0.064 0.000 1.008 282 A HN 0.548 nan 8.150 nan 0.000 0.497 283 T N 2.481 117.090 114.554 0.092 0.000 2.744 283 T HA 0.425 4.775 4.350 0.000 0.000 0.291 283 T C 0.048 174.832 174.700 0.139 0.000 0.957 283 T CA 0.032 62.196 62.100 0.106 0.000 1.002 283 T CB 0.640 69.577 68.868 0.114 0.000 0.919 283 T HN 0.533 nan 8.240 nan 0.000 0.468 284 S N 4.009 119.782 115.700 0.122 0.000 2.422 284 S HA 0.410 4.880 4.470 0.000 0.000 0.308 284 S C 0.204 174.961 174.600 0.262 0.000 1.097 284 S CA -0.817 57.477 58.200 0.156 0.000 1.099 284 S CB 0.324 63.512 63.200 -0.021 0.000 0.976 284 S HN 0.494 nan 8.310 nan 0.000 0.471 285 I N 3.517 124.274 120.570 0.312 0.000 2.337 285 I HA 0.206 4.376 4.170 0.000 0.000 0.291 285 I C 0.791 177.081 176.117 0.288 0.000 1.046 285 I CA -0.094 61.404 61.300 0.329 0.000 1.324 285 I CB 0.227 38.495 38.000 0.448 0.000 1.409 285 I HN 0.677 nan 8.210 nan 0.000 0.494 286 Q N 6.103 126.050 119.800 0.246 0.000 2.417 286 Q HA 0.445 4.785 4.340 0.000 0.000 0.241 286 Q C -1.048 174.917 176.000 -0.059 0.000 1.008 286 Q CA -0.195 55.529 55.803 -0.131 0.000 0.901 286 Q CB 1.221 29.843 28.738 -0.192 0.000 1.259 286 Q HN 0.577 nan 8.270 nan 0.000 0.489 287 I N 3.209 123.704 120.570 -0.124 0.000 2.476 287 I HA 0.172 4.342 4.170 0.000 0.000 0.281 287 I C 0.150 176.228 176.117 -0.064 0.000 1.040 287 I CA -0.696 60.583 61.300 -0.035 0.000 1.094 287 I CB 1.752 39.741 38.000 -0.017 0.000 1.219 287 I HN 0.724 nan 8.210 nan 0.000 0.450 288 T N 2.594 117.083 114.554 -0.108 0.000 2.680 288 T HA 0.511 4.861 4.350 0.000 0.000 0.314 288 T C 0.470 174.946 174.700 -0.373 0.000 1.045 288 T CA -0.709 61.274 62.100 -0.195 0.000 1.025 288 T CB 0.998 69.757 68.868 -0.183 0.000 1.000 288 T HN 0.567 nan 8.240 nan 0.000 0.535 289 A N 1.260 123.673 122.820 -0.678 0.000 2.286 289 A HA 0.635 4.955 4.320 0.000 0.000 0.286 289 A C -2.383 174.697 177.584 -0.841 0.000 1.097 289 A CA -2.021 49.187 52.037 -1.382 0.000 0.821 289 A CB -0.637 17.325 19.000 -1.729 0.000 1.076 289 A HN 0.684 nan 8.150 nan 0.000 0.490 290 P HA 0.098 nan 4.420 nan 0.000 0.264 290 P C 0.854 177.922 177.300 -0.387 0.000 1.183 290 P CA 0.879 63.702 63.100 -0.461 0.000 0.763 290 P CB 0.677 32.156 31.700 -0.368 0.000 0.807 291 A N 3.654 126.322 122.820 -0.254 0.000 1.884 291 A HA -0.269 4.051 4.320 0.000 0.000 0.219 291 A C 2.206 179.673 177.584 -0.194 0.000 1.197 291 A CA 2.714 54.630 52.037 -0.202 0.000 0.637 291 A CB -1.845 17.073 19.000 -0.137 0.000 0.827 291 A HN 0.624 nan 8.150 nan 0.000 0.450 292 S N -1.440 114.172 115.700 -0.147 0.000 2.442 292 S HA -0.131 4.339 4.470 0.000 0.000 0.236 292 S C 1.805 176.336 174.600 -0.115 0.000 1.007 292 S CA 1.641 59.782 58.200 -0.099 0.000 0.965 292 S CB -0.381 62.816 63.200 -0.005 0.000 0.773 292 S HN 0.372 nan 8.310 nan 0.000 0.504 293 M N 1.262 120.725 119.600 -0.227 0.000 2.236 293 M HA 0.268 4.748 4.480 0.000 0.000 0.266 293 M C 1.947 177.936 176.300 -0.518 0.000 1.070 293 M CA 0.990 56.068 55.300 -0.371 0.000 1.137 293 M CB -1.279 30.950 32.600 -0.619 0.000 1.378 293 M HN 0.359 nan 8.290 nan 0.000 0.426 294 L N 0.520 121.458 121.223 -0.474 0.000 2.610 294 L HA -0.040 4.300 4.340 0.000 0.000 0.232 294 L C 1.875 178.659 176.870 -0.143 0.000 1.149 294 L CA 0.148 54.789 54.840 -0.333 0.000 0.872 294 L CB -0.647 41.250 42.059 -0.270 0.000 0.992 294 L HN 0.289 nan 8.230 nan 0.000 0.447 295 I N -2.895 117.600 120.570 -0.125 0.000 3.646 295 I HA 0.363 4.533 4.170 0.000 0.000 0.301 295 I C 0.792 176.885 176.117 -0.039 0.000 1.276 295 I CA -0.009 61.247 61.300 -0.075 0.000 1.254 295 I CB -0.344 37.607 38.000 -0.081 0.000 1.020 295 I HN 0.031 nan 8.210 nan 0.000 0.473 296 G N -0.160 108.634 108.800 -0.010 0.000 2.349 296 G HA2 0.156 4.116 3.960 0.000 0.000 0.294 296 G HA3 0.156 4.116 3.960 0.000 0.000 0.294 296 G C -1.888 173.074 174.900 0.103 0.000 1.380 296 G CA -0.793 44.320 45.100 0.022 0.000 0.811 296 G HN 0.029 nan 8.290 nan 0.000 0.519 297 D N 1.183 121.609 120.400 0.043 0.000 2.423 297 D HA 0.433 5.073 4.640 0.000 0.000 0.238 297 D C 0.550 176.838 176.300 -0.020 0.000 1.142 297 D CA 0.821 54.806 54.000 -0.025 0.000 0.884 297 D CB 0.457 41.184 40.800 -0.120 0.000 1.199 297 D HN 0.585 nan 8.370 nan 0.000 0.438 298 H N -1.133 117.783 119.070 -0.256 0.000 2.928 298 H HA 0.467 5.023 4.556 0.000 0.000 0.285 298 H C -1.320 173.793 175.328 -0.358 0.000 1.438 298 H CA -0.819 55.071 56.048 -0.263 0.000 1.176 298 H CB 0.338 30.098 29.762 -0.004 0.000 1.864 298 H HN 0.339 nan 8.280 nan 0.000 0.567 299 Y N -0.110 120.384 120.300 0.325 0.000 2.553 299 Y HA 0.413 4.963 4.550 0.000 0.000 0.347 299 Y C -0.400 175.730 175.900 0.384 0.000 1.019 299 Y CA -1.159 57.122 58.100 0.301 0.000 1.032 299 Y CB 2.038 40.535 38.460 0.061 0.000 1.284 299 Y HN 0.484 nan 8.280 nan 0.000 0.466 300 L N 3.028 124.531 121.223 0.466 0.000 2.265 300 L HA 0.462 4.802 4.340 0.000 0.000 0.288 300 L C 0.352 177.230 176.870 0.013 0.000 1.058 300 L CA -0.139 54.624 54.840 -0.127 0.000 0.809 300 L CB 0.503 42.400 42.059 -0.270 0.000 1.179 300 L HN 1.003 nan 8.230 nan 0.000 0.429 301 C N 0.832 120.023 119.300 -0.182 0.000 3.724 301 C HA 0.609 5.069 4.460 0.000 0.000 0.327 301 C C 0.026 174.943 174.990 -0.122 0.000 1.490 301 C CA -0.086 58.809 59.018 -0.206 0.000 1.825 301 C CB -1.193 26.453 27.740 -0.156 0.000 2.613 301 C HN 0.890 nan 8.230 nan 0.000 0.692 302 D N 0.254 120.557 120.400 -0.161 0.000 2.886 302 D HA 0.473 5.113 4.640 0.000 0.000 0.216 302 D C -1.250 174.798 176.300 -0.420 0.000 1.256 302 D CA -0.187 53.730 54.000 -0.138 0.000 0.844 302 D CB 2.339 43.043 40.800 -0.160 0.000 1.669 302 D HN 0.421 nan 8.370 nan 0.000 0.513 303 V N 1.869 121.454 119.914 -0.549 0.000 2.588 303 V HA 0.890 5.010 4.120 0.000 0.000 0.304 303 V C -1.391 174.323 176.094 -0.633 0.000 1.042 303 V CA 0.028 61.805 62.300 -0.873 0.000 0.877 303 V CB 1.901 32.859 31.823 -1.441 0.000 0.996 303 V HN 0.650 nan 8.190 nan 0.000 0.425 304 T N 6.389 120.637 114.554 -0.510 0.000 3.143 304 T HA 0.385 4.735 4.350 0.000 0.000 0.312 304 T C -1.008 173.534 174.700 -0.264 0.000 0.986 304 T CA -0.172 61.785 62.100 -0.239 0.000 1.024 304 T CB 0.764 69.563 68.868 -0.115 0.000 1.030 304 T HN 0.793 nan 8.240 nan 0.000 0.448 305 W N 2.105 123.339 121.300 -0.110 0.000 2.181 305 W HA 0.458 5.118 4.660 0.000 0.000 0.335 305 W C 1.116 177.504 176.519 -0.219 0.000 1.310 305 W CA -0.101 57.172 57.345 -0.121 0.000 1.226 305 W CB 0.559 30.030 29.460 0.020 0.000 1.155 305 W HN 0.828 nan 8.180 nan 0.000 0.565 306 A N 1.527 124.257 122.820 -0.149 0.000 1.988 306 A HA 0.215 4.535 4.320 0.000 0.000 0.201 306 A C 0.854 178.374 177.584 -0.105 0.000 1.410 306 A CA 1.297 53.005 52.037 -0.548 0.000 0.832 306 A CB -0.361 17.800 19.000 -1.399 0.000 0.981 306 A HN 0.514 nan 8.150 nan 0.000 0.492 307 T N -5.116 109.478 114.554 0.066 0.000 2.645 307 T HA 0.353 4.703 4.350 0.000 0.000 0.273 307 T C 0.365 175.210 174.700 0.242 0.000 0.960 307 T CA -0.318 61.871 62.100 0.148 0.000 1.051 307 T CB 0.671 69.615 68.868 0.128 0.000 1.366 307 T HN -0.037 nan 8.240 nan 0.000 0.536 308 Q N 0.401 120.318 119.800 0.194 0.000 2.226 308 Q HA 0.019 4.359 4.340 0.000 0.000 0.204 308 Q C 0.885 177.099 176.000 0.357 0.000 0.975 308 Q CA 1.475 57.399 55.803 0.202 0.000 0.866 308 Q CB -0.078 28.749 28.738 0.148 0.000 0.915 308 Q HN 0.807 nan 8.270 nan 0.000 0.440 309 E N -0.238 120.181 120.200 0.365 0.000 2.810 309 E HA 0.188 4.538 4.350 0.000 0.000 0.214 309 E C -0.202 176.649 176.600 0.419 0.000 0.980 309 E CA -0.172 56.468 56.400 0.401 0.000 1.159 309 E CB 1.087 30.954 29.700 0.278 0.000 1.047 309 E HN -0.019 nan 8.360 nan 0.000 0.484 310 R N 1.622 122.371 120.500 0.415 0.000 2.575 310 R HA 0.537 4.877 4.340 0.000 0.000 0.293 310 R C -1.643 174.685 176.300 0.047 0.000 0.983 310 R CA -0.430 55.805 56.100 0.225 0.000 0.887 310 R CB 1.440 31.775 30.300 0.057 0.000 1.184 310 R HN 0.050 nan 8.270 nan 0.000 0.445 311 I N 3.139 123.575 120.570 -0.223 0.000 2.545 311 I HA 0.383 4.553 4.170 0.000 0.000 0.292 311 I C -0.994 174.789 176.117 -0.556 0.000 1.040 311 I CA -0.498 60.380 61.300 -0.703 0.000 1.068 311 I CB 2.281 39.431 38.000 -1.417 0.000 1.251 311 I HN 0.849 nan 8.210 nan 0.000 0.424 312 S N 7.479 122.834 115.700 -0.575 0.000 2.501 312 S HA 0.793 5.263 4.470 0.000 0.000 0.301 312 S C -1.214 173.058 174.600 -0.545 0.000 1.096 312 S CA -0.593 57.351 58.200 -0.426 0.000 1.063 312 S CB 1.835 64.893 63.200 -0.236 0.000 1.042 312 S HN 0.450 nan 8.310 nan 0.000 0.494 313 L N 2.329 123.255 121.223 -0.495 0.000 2.401 313 L HA 0.546 4.886 4.340 0.000 0.000 0.266 313 L C -0.531 176.039 176.870 -0.501 0.000 0.991 313 L CA -0.150 54.294 54.840 -0.659 0.000 0.818 313 L CB 2.309 43.929 42.059 -0.732 0.000 1.321 313 L HN 0.815 nan 8.230 nan 0.000 0.413 314 Q N 1.941 121.385 119.800 -0.595 0.000 2.330 314 Q HA 0.448 4.788 4.340 0.000 0.000 0.269 314 Q C -1.668 174.051 176.000 -0.470 0.000 1.022 314 Q CA -0.549 55.029 55.803 -0.375 0.000 0.796 314 Q CB 2.256 30.839 28.738 -0.259 0.000 1.271 314 Q HN 0.495 nan 8.270 nan 0.000 0.450 315 W N 2.208 123.452 121.300 -0.094 0.000 2.647 315 W HA 0.670 5.330 4.660 0.000 0.000 0.353 315 W C -0.775 175.760 176.519 0.026 0.000 1.080 315 W CA -0.651 56.689 57.345 -0.008 0.000 1.208 315 W CB 1.111 30.553 29.460 -0.031 0.000 1.396 315 W HN 0.396 nan 8.180 nan 0.000 0.573 316 L N 1.891 123.339 121.223 0.375 0.000 2.464 316 L HA 0.520 4.860 4.340 0.000 0.000 0.266 316 L C -0.402 176.659 176.870 0.319 0.000 0.965 316 L CA -1.064 53.949 54.840 0.289 0.000 0.833 316 L CB 1.475 43.687 42.059 0.254 0.000 1.296 316 L HN 0.403 nan 8.230 nan 0.000 0.405 317 R N 2.832 123.482 120.500 0.250 0.000 2.594 317 R HA 0.264 4.604 4.340 0.000 0.000 0.272 317 R C 1.130 177.501 176.300 0.118 0.000 1.074 317 R CA -0.261 55.943 56.100 0.173 0.000 1.105 317 R CB 0.617 31.024 30.300 0.178 0.000 1.008 317 R HN 0.646 nan 8.270 nan 0.000 0.472 318 R N 1.629 122.100 120.500 -0.047 0.000 2.133 318 R HA -0.128 4.212 4.340 0.000 0.000 0.247 318 R C 0.408 176.773 176.300 0.109 0.000 1.151 318 R CA 1.239 57.306 56.100 -0.054 0.000 0.971 318 R CB 0.093 30.313 30.300 -0.133 0.000 0.866 318 R HN 0.420 nan 8.270 nan 0.000 0.447 319 I N 2.813 123.429 120.570 0.078 0.000 2.329 319 I HA -0.008 4.162 4.170 0.000 0.000 0.295 319 I C 0.411 176.596 176.117 0.113 0.000 1.109 319 I CA 0.557 61.905 61.300 0.080 0.000 1.297 319 I CB 0.879 38.913 38.000 0.056 0.000 1.433 319 I HN 0.216 nan 8.210 nan 0.000 0.509 320 Q N 4.578 124.441 119.800 0.106 0.000 2.404 320 Q HA -0.012 4.328 4.340 0.000 0.000 0.272 320 Q C 0.704 176.783 176.000 0.131 0.000 0.939 320 Q CA -0.007 55.870 55.803 0.123 0.000 0.945 320 Q CB -0.141 28.630 28.738 0.055 0.000 1.195 320 Q HN 0.619 nan 8.270 nan 0.000 0.415 321 N N -0.865 117.915 118.700 0.133 0.000 2.187 321 N HA -0.048 4.692 4.740 0.000 0.000 0.212 321 N C -0.974 174.640 175.510 0.173 0.000 1.152 321 N CA -0.177 52.944 53.050 0.118 0.000 0.872 321 N CB 0.323 38.856 38.487 0.076 0.000 1.025 321 N HN 0.179 nan 8.380 nan 0.000 0.514 322 Y N 1.285 121.612 120.300 0.044 0.000 2.354 322 Y HA 0.573 5.123 4.550 0.000 0.000 0.330 322 Y C -0.960 174.976 175.900 0.060 0.000 1.011 322 Y CA -0.935 57.189 58.100 0.039 0.000 1.099 322 Y CB 1.522 39.996 38.460 0.024 0.000 1.179 322 Y HN 0.149 nan 8.280 nan 0.000 0.442 323 S N 4.374 119.854 115.700 -0.367 0.000 2.595 323 S HA 0.928 5.398 4.470 0.000 0.000 0.281 323 S C -2.047 172.354 174.600 -0.331 0.000 1.117 323 S CA -0.694 57.380 58.200 -0.210 0.000 0.873 323 S CB 1.889 65.051 63.200 -0.064 0.000 1.108 323 S HN 0.502 nan 8.310 nan 0.000 0.477 324 V N 2.406 122.252 119.914 -0.113 0.000 2.760 324 V HA 0.558 4.678 4.120 0.000 0.000 0.309 324 V C -0.605 175.506 176.094 0.028 0.000 1.077 324 V CA -0.664 61.592 62.300 -0.073 0.000 0.910 324 V CB 1.928 33.729 31.823 -0.037 0.000 1.008 324 V HN 1.033 nan 8.190 nan 0.000 0.424 325 M N 3.421 123.021 119.600 -0.001 0.000 2.268 325 M HA 0.548 5.028 4.480 0.000 0.000 0.344 325 M C -1.308 175.003 176.300 0.019 0.000 1.106 325 M CA -0.308 54.979 55.300 -0.022 0.000 1.010 325 M CB 1.276 33.820 32.600 -0.094 0.000 1.649 325 M HN 0.618 nan 8.290 nan 0.000 0.443 326 D N 4.736 125.140 120.400 0.007 0.000 2.198 326 D HA 0.562 5.202 4.640 0.000 0.000 0.247 326 D C -1.051 175.211 176.300 -0.063 0.000 1.010 326 D CA -0.028 53.968 54.000 -0.007 0.000 0.880 326 D CB 1.772 42.587 40.800 0.027 0.000 1.209 326 D HN 0.593 nan 8.370 nan 0.000 0.451 327 I N 2.068 122.623 120.570 -0.026 0.000 2.439 327 I HA 0.278 4.448 4.170 0.000 0.000 0.283 327 I C -0.688 175.421 176.117 -0.014 0.000 1.023 327 I CA -0.588 60.693 61.300 -0.031 0.000 1.100 327 I CB 1.393 39.430 38.000 0.062 0.000 1.238 327 I HN 0.159 nan 8.210 nan 0.000 0.445 328 c N 3.784 122.361 118.600 -0.037 0.000 2.382 328 c HA 0.565 5.135 4.570 0.000 0.000 0.327 328 c C -0.340 173.883 174.090 0.221 0.000 1.250 328 c CA -0.698 55.680 56.329 0.081 0.000 1.707 328 c CB 1.111 43.663 42.510 0.071 0.000 2.272 328 c HN 0.571 nan 8.230 nan 0.000 0.506 329 D N 0.492 121.019 120.400 0.212 0.000 2.256 329 D HA 0.286 4.926 4.640 0.000 0.000 0.246 329 D C -0.542 175.736 176.300 -0.037 0.000 1.042 329 D CA -0.252 53.835 54.000 0.145 0.000 0.841 329 D CB 0.991 41.821 40.800 0.050 0.000 1.223 329 D HN 0.554 nan 8.370 nan 0.000 0.470 330 Y N 1.332 121.323 120.300 -0.514 0.000 2.610 330 Y HA 0.138 4.688 4.550 0.000 0.000 0.332 330 Y C 0.047 175.686 175.900 -0.436 0.000 1.201 330 Y CA 0.063 57.574 58.100 -0.981 0.000 1.465 330 Y CB 0.603 38.520 38.460 -0.904 0.000 1.283 330 Y HN 0.183 nan 8.280 nan 0.000 0.563 331 D N 4.620 124.401 120.400 -1.032 0.000 2.479 331 D HA 0.114 4.754 4.640 0.000 0.000 0.247 331 D C 0.822 176.618 176.300 -0.840 0.000 1.119 331 D CA -0.222 53.374 54.000 -0.673 0.000 0.922 331 D CB 0.508 41.072 40.800 -0.393 0.000 1.014 331 D HN 0.726 nan 8.370 nan 0.000 0.510 332 E N 1.385 121.172 120.200 -0.689 0.000 2.301 332 E HA -0.269 4.081 4.350 0.000 0.000 0.202 332 E C 1.402 177.851 176.600 -0.253 0.000 1.017 332 E CA 2.011 58.166 56.400 -0.408 0.000 0.831 332 E CB 0.295 29.910 29.700 -0.142 0.000 0.742 332 E HN 0.465 nan 8.360 nan 0.000 0.491 333 S N -1.338 114.220 115.700 -0.237 0.000 2.384 333 S HA -0.056 4.414 4.470 0.000 0.000 0.217 333 S C 1.944 176.469 174.600 -0.124 0.000 1.041 333 S CA 0.585 58.702 58.200 -0.137 0.000 0.948 333 S CB -0.217 62.920 63.200 -0.105 0.000 0.872 333 S HN 0.233 nan 8.310 nan 0.000 0.512 334 S N 0.214 115.824 115.700 -0.150 0.000 2.634 334 S HA 0.473 4.943 4.470 0.000 0.000 0.221 334 S C 1.598 176.140 174.600 -0.097 0.000 0.952 334 S CA 0.567 58.708 58.200 -0.097 0.000 0.930 334 S CB -0.518 62.638 63.200 -0.073 0.000 0.780 334 S HN 1.538 nan 8.310 nan 0.000 0.498 335 G N 1.527 110.219 108.800 -0.180 0.000 2.257 335 G HA2 -0.327 3.633 3.960 0.000 0.000 0.267 335 G HA3 -0.327 3.633 3.960 0.000 0.000 0.267 335 G C 0.431 175.309 174.900 -0.035 0.000 0.984 335 G CA 0.612 45.660 45.100 -0.086 0.000 0.626 335 G HN 0.626 nan 8.290 nan 0.000 0.540 336 R N -1.371 119.069 120.500 -0.099 0.000 2.527 336 R HA 0.548 4.888 4.340 0.000 0.000 0.243 336 R C -0.640 175.588 176.300 -0.119 0.000 1.206 336 R CA -0.535 55.577 56.100 0.020 0.000 1.134 336 R CB 0.436 30.771 30.300 0.058 0.000 1.347 336 R HN 0.182 nan 8.270 nan 0.000 0.580 337 W N 0.592 121.919 121.300 0.045 0.000 2.361 337 W HA 0.340 5.000 4.660 0.000 0.000 0.314 337 W C -0.066 176.440 176.519 -0.021 0.000 1.041 337 W CA -0.389 56.968 57.345 0.020 0.000 1.241 337 W CB 0.657 30.125 29.460 0.013 0.000 1.279 337 W HN 0.377 nan 8.180 nan 0.000 0.436 338 N N 2.900 121.671 118.700 0.119 0.000 2.422 338 N HA 0.314 5.054 4.740 0.000 0.000 0.264 338 N C -1.205 174.349 175.510 0.073 0.000 1.063 338 N CA -0.197 52.887 53.050 0.055 0.000 0.959 338 N CB 0.616 39.099 38.487 -0.006 0.000 1.087 338 N HN 0.358 nan 8.380 nan 0.000 0.483 339 c N 5.359 123.983 118.600 0.040 0.000 2.250 339 c HA 0.331 4.901 4.570 0.000 0.000 0.319 339 c C 0.553 174.639 174.090 -0.007 0.000 1.124 339 c CA -0.957 55.381 56.329 0.015 0.000 1.527 339 c CB -0.943 41.562 42.510 -0.009 0.000 2.001 339 c HN 0.627 nan 8.230 nan 0.000 0.435 340 L N 3.151 124.373 121.223 -0.002 0.000 2.462 340 L HA 0.065 4.405 4.340 0.000 0.000 0.272 340 L C 1.458 178.311 176.870 -0.029 0.000 1.166 340 L CA 0.181 55.012 54.840 -0.014 0.000 0.880 340 L CB 0.954 43.009 42.059 -0.007 0.000 1.142 340 L HN 0.589 nan 8.230 nan 0.000 0.473 341 V N 3.752 123.642 119.914 -0.040 0.000 2.469 341 V HA -0.268 3.852 4.120 0.000 0.000 0.251 341 V C 2.037 178.095 176.094 -0.061 0.000 1.064 341 V CA 1.989 64.258 62.300 -0.052 0.000 1.066 341 V CB -0.453 31.338 31.823 -0.053 0.000 0.667 341 V HN 0.955 nan 8.190 nan 0.000 0.461 342 A N -0.665 122.123 122.820 -0.052 0.000 2.268 342 A HA 0.086 4.406 4.320 0.000 0.000 0.221 342 A C 1.887 179.430 177.584 -0.069 0.000 1.287 342 A CA 0.413 52.413 52.037 -0.061 0.000 0.902 342 A CB -0.425 18.550 19.000 -0.042 0.000 0.877 342 A HN 0.547 nan 8.150 nan 0.000 0.487 343 R N -1.106 119.351 120.500 -0.071 0.000 2.541 343 R HA 0.132 4.472 4.340 0.000 0.000 0.332 343 R C -0.088 176.143 176.300 -0.115 0.000 0.951 343 R CA -0.154 55.914 56.100 -0.053 0.000 1.136 343 R CB 0.388 30.709 30.300 0.034 0.000 1.449 343 R HN 0.572 nan 8.270 nan 0.000 0.531 344 Q N 0.350 120.063 119.800 -0.146 0.000 2.421 344 Q HA 0.073 4.413 4.340 0.000 0.000 0.255 344 Q C -0.809 175.001 176.000 -0.316 0.000 1.013 344 Q CA 0.627 56.355 55.803 -0.125 0.000 0.895 344 Q CB 0.676 29.365 28.738 -0.082 0.000 1.271 344 Q HN 0.186 nan 8.270 nan 0.000 0.460 345 H N 0.825 119.884 119.070 -0.019 0.000 2.991 345 H HA 0.325 4.881 4.556 0.000 0.000 0.304 345 H C -0.790 174.500 175.328 -0.062 0.000 1.040 345 H CA -0.300 55.742 56.048 -0.010 0.000 1.410 345 H CB 0.522 30.279 29.762 -0.009 0.000 1.529 345 H HN 0.443 nan 8.280 nan 0.000 0.509 346 I N 2.307 122.875 120.570 -0.003 0.000 2.588 346 I HA 0.051 4.221 4.170 0.000 0.000 0.283 346 I C 0.405 176.477 176.117 -0.075 0.000 1.119 346 I CA 0.624 61.852 61.300 -0.120 0.000 1.419 346 I CB 0.636 38.582 38.000 -0.089 0.000 1.394 346 I HN 0.605 nan 8.210 nan 0.000 0.562 347 E N 8.329 128.421 120.200 -0.179 0.000 2.275 347 E HA 0.632 4.982 4.350 0.000 0.000 0.270 347 E C -1.143 175.383 176.600 -0.124 0.000 0.882 347 E CA -0.790 55.559 56.400 -0.084 0.000 0.758 347 E CB 1.572 31.247 29.700 -0.041 0.000 1.195 347 E HN 0.617 nan 8.360 nan 0.000 0.419 348 M N 1.658 121.243 119.600 -0.025 0.000 2.721 348 M HA 0.615 5.095 4.480 0.000 0.000 0.271 348 M C -1.743 174.575 176.300 0.030 0.000 1.259 348 M CA -0.762 54.554 55.300 0.027 0.000 0.835 348 M CB 2.143 34.827 32.600 0.140 0.000 1.689 348 M HN 0.381 nan 8.290 nan 0.000 0.470 349 S N -0.352 115.363 115.700 0.025 0.000 2.541 349 S HA 0.653 5.123 4.470 0.000 0.000 0.280 349 S C 0.096 174.683 174.600 -0.021 0.000 1.112 349 S CA 0.187 58.376 58.200 -0.018 0.000 0.925 349 S CB 1.929 65.073 63.200 -0.092 0.000 1.067 349 S HN 0.910 nan 8.310 nan 0.000 0.479 350 T N -0.276 114.264 114.554 -0.024 0.000 3.015 350 T HA 0.080 4.430 4.350 0.000 0.000 0.250 350 T C 1.653 176.327 174.700 -0.043 0.000 1.057 350 T CA 0.916 63.006 62.100 -0.017 0.000 1.066 350 T CB -0.398 68.470 68.868 -0.000 0.000 0.959 350 T HN 0.733 nan 8.240 nan 0.000 0.488 351 T N -1.395 113.117 114.554 -0.070 0.000 3.037 351 T HA 0.580 4.930 4.350 0.000 0.000 0.251 351 T C 1.133 175.663 174.700 -0.283 0.000 1.079 351 T CA 0.559 62.618 62.100 -0.068 0.000 1.067 351 T CB 0.214 69.112 68.868 0.050 0.000 0.948 351 T HN 0.584 nan 8.240 nan 0.000 0.496 352 G N 0.306 108.750 108.800 -0.594 0.000 2.696 352 G HA2 0.477 4.437 3.960 0.000 0.000 0.151 352 G HA3 0.477 4.437 3.960 0.000 0.000 0.151 352 G C -1.711 172.906 174.900 -0.472 0.000 1.197 352 G CA -0.532 44.035 45.100 -0.889 0.000 1.053 352 G HN 0.536 nan 8.290 nan 0.000 0.546 353 W N 0.085 121.105 121.300 -0.465 0.000 2.578 353 W HA 0.775 5.435 4.660 0.000 0.000 0.364 353 W C -0.402 176.053 176.519 -0.106 0.000 1.144 353 W CA -1.388 55.828 57.345 -0.215 0.000 1.242 353 W CB 0.967 30.290 29.460 -0.228 0.000 1.382 353 W HN 0.277 nan 8.180 nan 0.000 0.625 354 V N 3.503 123.481 119.914 0.107 0.000 2.530 354 V HA 0.615 4.735 4.120 0.000 0.000 0.282 354 V C 0.898 177.060 176.094 0.113 0.000 1.048 354 V CA 0.682 63.009 62.300 0.045 0.000 0.997 354 V CB -0.104 31.747 31.823 0.047 0.000 0.987 354 V HN 1.297 nan 8.190 nan 0.000 0.477 355 G N 5.141 113.960 108.800 0.032 0.000 2.829 355 G HA2 -0.199 3.761 3.960 0.000 0.000 0.628 355 G HA3 -0.199 3.761 3.960 0.000 0.000 0.628 355 G C 0.374 175.325 174.900 0.085 0.000 1.412 355 G CA 0.205 45.343 45.100 0.063 0.000 0.864 355 G HN 0.641 nan 8.290 nan 0.000 0.544 356 R N -0.765 119.758 120.500 0.040 0.000 2.062 356 R HA 0.109 4.449 4.340 0.000 0.000 0.229 356 R C 1.989 178.114 176.300 -0.291 0.000 1.128 356 R CA 2.221 58.247 56.100 -0.123 0.000 0.960 356 R CB -0.113 30.090 30.300 -0.162 0.000 0.855 356 R HN 0.499 nan 8.270 nan 0.000 0.432 357 F N -1.019 119.055 119.950 0.207 0.000 2.819 357 F HA 0.261 4.788 4.527 0.000 0.000 0.325 357 F C 0.663 176.470 175.800 0.012 0.000 1.041 357 F CA -0.465 57.591 58.000 0.093 0.000 1.184 357 F CB 0.644 39.686 39.000 0.070 0.000 1.019 357 F HN -0.115 nan 8.300 nan 0.000 0.590 358 R N -0.652 119.967 120.500 0.197 0.000 2.733 358 R HA 0.464 4.804 4.340 0.000 0.000 0.272 358 R C -3.324 173.025 176.300 0.082 0.000 1.029 358 R CA -1.898 54.252 56.100 0.083 0.000 0.888 358 R CB 0.384 30.688 30.300 0.008 0.000 1.251 358 R HN -0.355 nan 8.270 nan 0.000 0.464 359 P HA -0.033 nan 4.420 nan 0.000 0.264 359 P C -0.348 176.964 177.300 0.020 0.000 1.183 359 P CA 0.282 63.392 63.100 0.016 0.000 0.763 359 P CB 0.594 32.278 31.700 -0.027 0.000 0.807 360 S N 1.625 117.345 115.700 0.034 0.000 2.593 360 S HA 0.174 4.644 4.470 0.000 0.000 0.269 360 S C 0.035 174.638 174.600 0.004 0.000 1.334 360 S CA -0.755 57.479 58.200 0.057 0.000 1.015 360 S CB 0.186 63.441 63.200 0.092 0.000 0.912 360 S HN 0.494 nan 8.310 nan 0.000 0.541 361 E N 1.173 121.384 120.200 0.019 0.000 2.301 361 E HA 0.469 4.819 4.350 0.000 0.000 0.275 361 E C -2.645 173.887 176.600 -0.113 0.000 1.030 361 E CA -2.199 54.155 56.400 -0.076 0.000 0.852 361 E CB 0.018 29.671 29.700 -0.078 0.000 1.060 361 E HN 0.394 nan 8.360 nan 0.000 0.401 362 P HA 0.138 nan 4.420 nan 0.000 0.282 362 P C -1.015 176.128 177.300 -0.263 0.000 1.249 362 P CA -0.330 62.598 63.100 -0.286 0.000 0.806 362 P CB 0.805 32.015 31.700 -0.817 0.000 0.984 363 H N 1.992 121.073 119.070 0.019 0.000 2.589 363 H HA 0.328 4.884 4.556 0.000 0.000 0.335 363 H C -0.382 175.050 175.328 0.173 0.000 1.019 363 H CA -0.298 55.850 56.048 0.166 0.000 1.213 363 H CB 0.699 30.587 29.762 0.209 0.000 1.472 363 H HN 0.309 nan 8.280 nan 0.000 0.508 364 F N 1.473 121.620 119.950 0.329 0.000 2.377 364 F HA 0.134 4.661 4.527 0.000 0.000 0.328 364 F C 1.384 177.375 175.800 0.318 0.000 1.094 364 F CA -0.568 57.625 58.000 0.321 0.000 1.093 364 F CB 1.176 40.301 39.000 0.208 0.000 1.214 364 F HN 0.383 nan 8.300 nan 0.000 0.518 365 T N 0.198 115.042 114.554 0.482 0.000 2.868 365 T HA 0.137 4.487 4.350 0.000 0.000 0.292 365 T C 1.103 175.992 174.700 0.317 0.000 1.028 365 T CA -0.747 61.575 62.100 0.369 0.000 1.059 365 T CB 0.805 69.867 68.868 0.324 0.000 0.991 365 T HN 0.595 nan 8.240 nan 0.000 0.531 366 L N 1.249 122.615 121.223 0.238 0.000 2.051 366 L HA -0.152 4.188 4.340 0.000 0.000 0.214 366 L C 2.176 179.152 176.870 0.177 0.000 1.076 366 L CA 2.410 57.364 54.840 0.191 0.000 0.758 366 L CB -0.819 41.329 42.059 0.149 0.000 0.890 366 L HN 0.948 nan 8.230 nan 0.000 0.433 367 D N -1.275 119.230 120.400 0.176 0.000 2.347 367 D HA 0.035 4.675 4.640 0.000 0.000 0.215 367 D C 1.570 177.974 176.300 0.173 0.000 0.976 367 D CA 0.784 54.876 54.000 0.153 0.000 0.884 367 D CB -0.518 40.362 40.800 0.134 0.000 0.915 367 D HN 0.407 nan 8.370 nan 0.000 0.526 368 G N 0.691 109.634 108.800 0.239 0.000 2.176 368 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 368 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 368 G C 0.733 175.826 174.900 0.321 0.000 1.024 368 G CA 0.352 45.622 45.100 0.284 0.000 0.755 368 G HN 0.412 nan 8.290 nan 0.000 0.507 369 N N -0.282 118.586 118.700 0.280 0.000 2.282 369 N HA 0.137 4.877 4.740 0.000 0.000 0.185 369 N C 0.851 176.478 175.510 0.196 0.000 1.099 369 N CA 1.053 54.234 53.050 0.219 0.000 0.878 369 N CB 0.564 39.136 38.487 0.142 0.000 0.993 369 N HN 0.814 nan 8.380 nan 0.000 0.481 370 S N -0.038 115.799 115.700 0.227 0.000 2.579 370 S HA 0.760 5.230 4.470 0.000 0.000 0.272 370 S C -0.939 173.696 174.600 0.058 0.000 1.141 370 S CA -0.924 57.269 58.200 -0.010 0.000 0.843 370 S CB 1.858 64.981 63.200 -0.128 0.000 1.122 370 S HN 0.143 nan 8.310 nan 0.000 0.468 371 F N -1.752 117.993 119.950 -0.342 0.000 2.668 371 F HA 0.815 5.342 4.527 0.000 0.000 0.309 371 F C -2.040 173.566 175.800 -0.323 0.000 1.117 371 F CA -1.545 56.185 58.000 -0.450 0.000 0.951 371 F CB 0.565 38.856 39.000 -1.182 0.000 1.323 371 F HN 0.592 nan 8.300 nan 0.000 0.451 372 Y N 1.244 121.693 120.300 0.249 0.000 2.420 372 Y HA 0.717 5.267 4.550 0.000 0.000 0.334 372 Y C -0.143 175.941 175.900 0.306 0.000 1.094 372 Y CA -0.826 57.425 58.100 0.252 0.000 1.126 372 Y CB 2.054 40.607 38.460 0.156 0.000 1.217 372 Y HN 0.778 nan 8.280 nan 0.000 0.462 373 K N 2.133 122.792 120.400 0.432 0.000 2.557 373 K HA 0.482 4.802 4.320 0.000 0.000 0.261 373 K C -1.941 174.832 176.600 0.288 0.000 0.932 373 K CA -0.494 55.990 56.287 0.328 0.000 0.829 373 K CB 1.393 34.034 32.500 0.235 0.000 1.358 373 K HN 0.715 nan 8.250 nan 0.000 0.430 374 I N 6.311 127.010 120.570 0.215 0.000 2.363 374 I HA 0.246 4.416 4.170 0.000 0.000 0.292 374 I C 0.211 176.433 176.117 0.174 0.000 1.075 374 I CA -0.392 61.011 61.300 0.172 0.000 1.333 374 I CB 0.152 38.224 38.000 0.120 0.000 1.415 374 I HN 0.522 nan 8.210 nan 0.000 0.502 375 I N 3.205 123.919 120.570 0.240 0.000 2.892 375 I HA 0.516 4.686 4.170 0.000 0.000 0.306 375 I C -0.089 176.151 176.117 0.204 0.000 1.078 375 I CA -0.539 60.895 61.300 0.222 0.000 1.032 375 I CB 2.273 40.433 38.000 0.267 0.000 1.229 375 I HN 0.415 nan 8.210 nan 0.000 0.435 376 S N 4.193 119.951 115.700 0.097 0.000 2.505 376 S HA 0.270 4.740 4.470 0.000 0.000 0.276 376 S C 0.059 174.694 174.600 0.057 0.000 1.274 376 S CA -0.564 57.632 58.200 -0.006 0.000 1.053 376 S CB -0.309 62.835 63.200 -0.092 0.000 0.919 376 S HN 0.924 nan 8.310 nan 0.000 0.490 377 N N 3.476 122.103 118.700 -0.122 0.000 2.328 377 N HA 0.131 4.871 4.740 0.000 0.000 0.277 377 N C 0.701 176.184 175.510 -0.045 0.000 1.286 377 N CA -0.592 52.352 53.050 -0.177 0.000 0.949 377 N CB 0.253 38.285 38.487 -0.759 0.000 1.136 377 N HN 0.760 nan 8.380 nan 0.000 0.550 378 E N -0.204 119.986 120.200 -0.017 0.000 2.435 378 E HA -0.097 4.253 4.350 0.000 0.000 0.195 378 E C 0.547 177.130 176.600 -0.028 0.000 1.029 378 E CA 0.736 57.133 56.400 -0.005 0.000 0.865 378 E CB -0.243 29.468 29.700 0.018 0.000 0.833 378 E HN 0.659 nan 8.360 nan 0.000 0.510 379 E N 0.943 121.124 120.200 -0.032 0.000 2.489 379 E HA 0.108 4.458 4.350 0.000 0.000 0.193 379 E C 0.941 177.542 176.600 0.001 0.000 1.057 379 E CA 0.597 57.011 56.400 0.023 0.000 0.866 379 E CB 0.184 29.924 29.700 0.068 0.000 0.916 379 E HN 0.404 nan 8.360 nan 0.000 0.500 380 G N 1.040 109.782 108.800 -0.097 0.000 2.132 380 G HA2 -0.265 3.695 3.960 0.000 0.000 0.228 380 G HA3 -0.265 3.695 3.960 0.000 0.000 0.228 380 G C -0.476 174.142 174.900 -0.471 0.000 1.000 380 G CA -0.142 44.789 45.100 -0.282 0.000 0.693 380 G HN 0.226 nan 8.290 nan 0.000 0.515 381 Y N -0.314 119.858 120.300 -0.213 0.000 2.377 381 Y HA 0.659 5.209 4.550 0.000 0.000 0.339 381 Y C 1.013 176.760 175.900 -0.255 0.000 1.011 381 Y CA -1.004 56.958 58.100 -0.231 0.000 1.093 381 Y CB 1.265 39.606 38.460 -0.199 0.000 1.201 381 Y HN 0.093 nan 8.280 nan 0.000 0.455 382 R N 3.604 123.977 120.500 -0.211 0.000 2.288 382 R HA 0.237 4.577 4.340 0.000 0.000 0.330 382 R C -0.802 175.234 176.300 -0.440 0.000 1.069 382 R CA 0.098 56.063 56.100 -0.225 0.000 0.941 382 R CB -0.094 30.111 30.300 -0.157 0.000 0.998 382 R HN 0.639 nan 8.270 nan 0.000 0.452 383 H N 1.875 120.821 119.070 -0.206 0.000 2.894 383 H HA 0.324 4.880 4.556 0.000 0.000 0.368 383 H C -0.063 175.259 175.328 -0.011 0.000 1.181 383 H CA -0.989 54.907 56.048 -0.252 0.000 1.146 383 H CB 1.739 31.189 29.762 -0.519 0.000 1.839 383 H HN 0.302 nan 8.280 nan 0.000 0.557 384 I N 1.429 122.050 120.570 0.084 0.000 2.452 384 I HA -0.000 4.170 4.170 0.000 0.000 0.287 384 I C 0.480 176.744 176.117 0.246 0.000 1.079 384 I CA 0.261 61.627 61.300 0.110 0.000 1.387 384 I CB 0.249 38.196 38.000 -0.087 0.000 1.404 384 I HN 0.172 nan 8.210 nan 0.000 0.522 385 c N 7.098 125.846 118.600 0.246 0.000 2.454 385 c HA 0.482 5.052 4.570 0.000 0.000 0.336 385 c C -0.556 173.525 174.090 -0.014 0.000 1.189 385 c CA -0.449 55.870 56.329 -0.017 0.000 1.877 385 c CB 1.172 43.510 42.510 -0.287 0.000 2.348 385 c HN 0.648 nan 8.230 nan 0.000 0.508 386 Y N 3.730 123.750 120.300 -0.466 0.000 2.328 386 Y HA 0.684 5.234 4.550 0.000 0.000 0.333 386 Y C -1.204 174.238 175.900 -0.762 0.000 0.958 386 Y CA -1.143 56.624 58.100 -0.555 0.000 1.167 386 Y CB 0.361 38.594 38.460 -0.378 0.000 1.151 386 Y HN 0.611 nan 8.280 nan 0.000 0.470 387 F N 4.024 123.166 119.950 -1.346 0.000 2.492 387 F HA 0.527 5.054 4.527 0.000 0.000 0.327 387 F C -0.279 174.768 175.800 -1.255 0.000 1.079 387 F CA -0.800 56.392 58.000 -1.346 0.000 0.967 387 F CB 1.656 39.468 39.000 -1.980 0.000 1.169 387 F HN 0.293 nan 8.300 nan 0.000 0.472 388 Q N 3.181 122.641 119.800 -0.568 0.000 2.293 388 Q HA 0.345 4.686 4.340 0.000 0.000 0.261 388 Q C 1.261 177.238 176.000 -0.038 0.000 0.960 388 Q CA -0.429 55.188 55.803 -0.309 0.000 0.882 388 Q CB 1.908 30.517 28.738 -0.216 0.000 1.275 388 Q HN 0.831 nan 8.270 nan 0.000 0.445 389 I N -0.897 119.722 120.570 0.083 0.000 2.181 389 I HA -0.351 3.819 4.170 0.000 0.000 0.247 389 I C 0.372 176.648 176.117 0.264 0.000 1.081 389 I CA 2.212 63.673 61.300 0.269 0.000 1.340 389 I CB -0.263 37.883 38.000 0.244 0.000 1.036 389 I HN 0.416 nan 8.210 nan 0.000 0.417 390 D N -0.344 120.132 120.400 0.126 0.000 2.454 390 D HA 0.145 4.785 4.640 0.000 0.000 0.214 390 D C 0.544 176.856 176.300 0.020 0.000 1.088 390 D CA -0.095 53.940 54.000 0.057 0.000 0.855 390 D CB -0.070 40.748 40.800 0.030 0.000 1.025 390 D HN 0.271 nan 8.370 nan 0.000 0.502 391 K N 0.654 121.070 120.400 0.027 0.000 2.322 391 K HA 0.190 4.510 4.320 0.000 0.000 0.283 391 K C 0.726 177.355 176.600 0.048 0.000 1.042 391 K CA -0.264 56.020 56.287 -0.005 0.000 0.958 391 K CB 1.297 33.762 32.500 -0.058 0.000 0.984 391 K HN -0.231 nan 8.250 nan 0.000 0.473 392 K N 1.381 121.780 120.400 -0.002 0.000 2.305 392 K HA 0.015 4.335 4.320 0.000 0.000 0.199 392 K C -0.058 176.572 176.600 0.049 0.000 1.047 392 K CA 1.035 57.328 56.287 0.010 0.000 0.976 392 K CB 0.192 32.667 32.500 -0.042 0.000 0.765 392 K HN 0.527 nan 8.250 nan 0.000 0.474 393 D N -1.290 119.076 120.400 -0.055 0.000 2.478 393 D HA 0.255 4.895 4.640 0.000 0.000 0.263 393 D C -0.357 175.716 176.300 -0.377 0.000 1.153 393 D CA -0.469 53.433 54.000 -0.164 0.000 1.038 393 D CB 1.268 41.969 40.800 -0.165 0.000 1.120 393 D HN 0.269 nan 8.370 nan 0.000 0.564 394 c N -1.937 116.296 118.600 -0.611 0.000 3.154 394 c HA 0.848 5.418 4.570 0.000 0.000 0.312 394 c C -0.573 173.100 174.090 -0.695 0.000 1.349 394 c CA -0.628 55.131 56.329 -0.951 0.000 1.518 394 c CB 1.275 42.592 42.510 -1.988 0.000 1.934 394 c HN 0.468 nan 8.230 nan 0.000 0.462 395 T N 2.033 116.246 114.554 -0.568 0.000 2.770 395 T HA 0.523 4.873 4.350 0.000 0.000 0.283 395 T C -0.671 173.850 174.700 -0.297 0.000 0.988 395 T CA 0.098 62.009 62.100 -0.314 0.000 0.957 395 T CB 0.382 69.228 68.868 -0.037 0.000 0.930 395 T HN 0.468 nan 8.240 nan 0.000 0.443 396 F N 3.143 123.008 119.950 -0.141 0.000 2.538 396 F HA 0.223 4.750 4.527 0.000 0.000 0.371 396 F C 1.582 177.275 175.800 -0.179 0.000 1.087 396 F CA -1.102 56.804 58.000 -0.156 0.000 1.250 396 F CB 0.263 39.159 39.000 -0.174 0.000 1.110 396 F HN 0.585 nan 8.300 nan 0.000 0.570 397 I N -0.481 120.051 120.570 -0.063 0.000 4.018 397 I HA 0.257 4.427 4.170 0.000 0.000 0.337 397 I C 0.109 176.074 176.117 -0.253 0.000 1.327 397 I CA 0.101 61.163 61.300 -0.397 0.000 1.100 397 I CB 0.075 37.547 38.000 -0.880 0.000 1.025 397 I HN 0.483 nan 8.210 nan 0.000 0.396 398 T N -0.293 114.156 114.554 -0.175 0.000 2.900 398 T HA 0.731 5.081 4.350 0.000 0.000 0.303 398 T C -0.719 173.580 174.700 -0.668 0.000 1.142 398 T CA -0.705 61.252 62.100 -0.237 0.000 1.007 398 T CB 2.579 71.395 68.868 -0.085 0.000 1.156 398 T HN 0.421 nan 8.240 nan 0.000 0.490 399 K N 0.333 120.253 120.400 -0.801 0.000 2.469 399 K HA 0.991 5.311 4.320 0.000 0.000 0.268 399 K C -0.093 175.893 176.600 -1.024 0.000 1.027 399 K CA -0.908 54.623 56.287 -1.261 0.000 0.893 399 K CB 1.466 33.569 32.500 -0.662 0.000 1.460 399 K HN 1.379 nan 8.250 nan 0.000 0.449 400 G N -0.742 107.508 108.800 -0.916 0.000 2.369 400 G HA2 0.120 4.080 3.960 0.000 0.000 0.307 400 G HA3 0.120 4.080 3.960 0.000 0.000 0.307 400 G C -1.232 173.162 174.900 -0.843 0.000 1.327 400 G CA -0.819 43.898 45.100 -0.639 0.000 0.963 400 G HN 0.461 nan 8.290 nan 0.000 0.590 401 T N 2.499 116.761 114.554 -0.487 0.000 3.783 401 T HA 0.524 4.875 4.350 0.000 0.000 0.262 401 T C -0.429 174.171 174.700 -0.167 0.000 1.381 401 T CA 0.519 62.221 62.100 -0.663 0.000 1.155 401 T CB -1.096 67.601 68.868 -0.285 0.000 1.256 401 T HN 0.795 nan 8.240 nan 0.000 0.807 402 W N -0.055 121.090 121.300 -0.257 0.000 3.064 402 W HA 0.475 5.135 4.660 0.000 0.000 0.328 402 W C -1.526 174.967 176.519 -0.043 0.000 1.210 402 W CA -0.948 56.382 57.345 -0.024 0.000 1.178 402 W CB 0.563 29.988 29.460 -0.058 0.000 1.416 402 W HN 0.004 nan 8.180 nan 0.000 0.568 403 E N 1.033 121.358 120.200 0.210 0.000 2.227 403 E HA 0.470 4.820 4.350 0.000 0.000 0.268 403 E C -0.758 175.898 176.600 0.092 0.000 0.907 403 E CA -1.223 55.123 56.400 -0.089 0.000 0.786 403 E CB 3.231 32.944 29.700 0.022 0.000 1.191 403 E HN 0.192 nan 8.360 nan 0.000 0.411 404 V N 3.960 123.808 119.914 -0.110 0.000 2.508 404 V HA -0.022 4.098 4.120 0.000 0.000 0.281 404 V C 1.282 177.456 176.094 0.133 0.000 1.041 404 V CA -0.071 62.289 62.300 0.099 0.000 1.016 404 V CB 0.479 32.273 31.823 -0.047 0.000 0.984 404 V HN 0.695 nan 8.190 nan 0.000 0.478 405 I N 3.221 123.900 120.570 0.180 0.000 2.333 405 I HA 0.201 4.371 4.170 0.000 0.000 0.246 405 I C 1.158 177.384 176.117 0.182 0.000 1.106 405 I CA 1.226 62.625 61.300 0.165 0.000 1.411 405 I CB -0.900 37.136 38.000 0.059 0.000 1.082 405 I HN 0.791 nan 8.210 nan 0.000 0.420 406 G N 0.301 109.214 108.800 0.188 0.000 2.616 406 G HA2 0.489 4.449 3.960 0.000 0.000 0.294 406 G HA3 0.489 4.449 3.960 0.000 0.000 0.294 406 G C -1.241 173.765 174.900 0.177 0.000 1.489 406 G CA -0.625 44.587 45.100 0.187 0.000 0.836 406 G HN -0.041 nan 8.290 nan 0.000 0.527 407 I N 1.720 122.355 120.570 0.109 0.000 2.352 407 I HA 0.231 4.401 4.170 0.000 0.000 0.290 407 I C 0.862 176.917 176.117 -0.104 0.000 1.036 407 I CA -0.473 60.790 61.300 -0.062 0.000 1.336 407 I CB 1.563 39.350 38.000 -0.354 0.000 1.407 407 I HN 0.502 nan 8.210 nan 0.000 0.497 408 E N 4.922 125.106 120.200 -0.026 0.000 2.201 408 E HA 0.311 4.661 4.350 0.000 0.000 0.193 408 E C 0.222 176.727 176.600 -0.158 0.000 0.957 408 E CA 0.316 56.725 56.400 0.015 0.000 0.858 408 E CB 0.563 30.358 29.700 0.158 0.000 0.816 408 E HN 0.675 nan 8.360 nan 0.000 0.475 409 A N 0.648 123.289 122.820 -0.298 0.000 2.606 409 A HA 0.628 4.948 4.320 0.000 0.000 0.293 409 A C -1.679 175.818 177.584 -0.145 0.000 1.082 409 A CA -0.577 51.225 52.037 -0.392 0.000 0.685 409 A CB 1.550 19.848 19.000 -1.169 0.000 1.284 409 A HN 0.081 nan 8.150 nan 0.000 0.408 410 L N 2.860 124.045 121.223 -0.062 0.000 2.457 410 L HA 0.541 4.881 4.340 0.000 0.000 0.266 410 L C 0.249 177.156 176.870 0.061 0.000 0.979 410 L CA -0.030 54.817 54.840 0.012 0.000 0.857 410 L CB 1.384 43.492 42.059 0.080 0.000 1.213 410 L HN 1.158 nan 8.230 nan 0.000 0.418 411 T N -0.231 114.375 114.554 0.087 0.000 2.892 411 T HA 0.221 4.571 4.350 0.000 0.000 0.280 411 T C 1.401 176.151 174.700 0.083 0.000 1.004 411 T CA 0.164 62.327 62.100 0.106 0.000 0.950 411 T CB 1.297 70.267 68.868 0.169 0.000 1.309 411 T HN 0.578 nan 8.240 nan 0.000 0.592 412 S N -0.006 115.741 115.700 0.079 0.000 2.447 412 S HA -0.085 4.385 4.470 0.000 0.000 0.233 412 S C 0.782 175.383 174.600 0.002 0.000 1.006 412 S CA 1.418 59.653 58.200 0.057 0.000 0.957 412 S CB -0.774 62.459 63.200 0.056 0.000 0.773 412 S HN 0.927 nan 8.310 nan 0.000 0.507 413 D N -2.260 118.110 120.400 -0.051 0.000 2.497 413 D HA 0.226 4.866 4.640 0.000 0.000 0.256 413 D C -0.522 175.495 176.300 -0.471 0.000 1.273 413 D CA -0.440 53.426 54.000 -0.223 0.000 0.812 413 D CB -0.399 40.246 40.800 -0.257 0.000 1.190 413 D HN 0.495 nan 8.370 nan 0.000 0.524 414 Y N 0.309 120.546 120.300 -0.105 0.000 2.462 414 Y HA 0.551 5.101 4.550 0.000 0.000 0.346 414 Y C -0.944 174.762 175.900 -0.324 0.000 0.976 414 Y CA -1.307 56.638 58.100 -0.258 0.000 1.044 414 Y CB 2.685 40.923 38.460 -0.370 0.000 1.230 414 Y HN -0.075 nan 8.280 nan 0.000 0.455 415 L N 3.944 125.028 121.223 -0.231 0.000 2.356 415 L HA 0.579 4.919 4.340 0.000 0.000 0.277 415 L C -1.816 174.893 176.870 -0.268 0.000 0.996 415 L CA -0.559 54.116 54.840 -0.274 0.000 0.822 415 L CB 0.822 42.628 42.059 -0.422 0.000 1.256 415 L HN 0.593 nan 8.230 nan 0.000 0.413 416 Y N 4.753 124.979 120.300 -0.124 0.000 2.342 416 Y HA 0.570 5.120 4.550 0.000 0.000 0.334 416 Y C -0.420 175.487 175.900 0.013 0.000 1.067 416 Y CA -0.287 57.746 58.100 -0.110 0.000 1.128 416 Y CB 1.383 39.666 38.460 -0.295 0.000 1.200 416 Y HN 0.545 nan 8.280 nan 0.000 0.464 417 Y N 0.437 120.787 120.300 0.082 0.000 2.638 417 Y HA 0.756 5.306 4.550 0.000 0.000 0.335 417 Y C -1.863 174.103 175.900 0.110 0.000 1.155 417 Y CA -1.765 56.371 58.100 0.061 0.000 1.046 417 Y CB 1.088 39.558 38.460 0.018 0.000 1.303 417 Y HN 0.284 nan 8.280 nan 0.000 0.460 418 I N 3.177 123.856 120.570 0.181 0.000 2.412 418 I HA 0.595 4.765 4.170 0.000 0.000 0.296 418 I C -0.143 176.096 176.117 0.203 0.000 0.987 418 I CA -0.375 60.982 61.300 0.094 0.000 1.180 418 I CB 1.555 39.596 38.000 0.068 0.000 1.340 418 I HN 0.867 nan 8.210 nan 0.000 0.455 419 S N 3.836 119.605 115.700 0.114 0.000 2.618 419 S HA 0.441 4.911 4.470 0.000 0.000 0.277 419 S C -0.340 174.262 174.600 0.002 0.000 1.138 419 S CA -0.828 57.444 58.200 0.119 0.000 0.844 419 S CB 2.013 65.295 63.200 0.137 0.000 1.127 419 S HN 0.620 nan 8.310 nan 0.000 0.474 420 N N 0.041 118.758 118.700 0.028 0.000 2.451 420 N HA 0.139 4.879 4.740 0.000 0.000 0.264 420 N C 0.449 175.914 175.510 -0.075 0.000 1.167 420 N CA -0.346 52.685 53.050 -0.031 0.000 0.898 420 N CB 0.325 38.793 38.487 -0.032 0.000 1.176 420 N HN 0.843 nan 8.380 nan 0.000 0.507 421 E N -0.060 119.939 120.200 -0.336 0.000 2.028 421 E HA -0.159 4.191 4.350 0.000 0.000 0.190 421 E C -0.301 176.126 176.600 -0.287 0.000 0.984 421 E CA 0.070 56.026 56.400 -0.740 0.000 0.800 421 E CB -0.110 28.499 29.700 -1.819 0.000 0.758 421 E HN 0.346 nan 8.360 nan 0.000 0.448 422 Y N 1.826 122.015 120.300 -0.186 0.000 2.969 422 Y HA -0.179 4.371 4.550 0.000 0.000 0.339 422 Y C 0.608 176.470 175.900 -0.064 0.000 1.272 422 Y CA 0.941 59.001 58.100 -0.067 0.000 1.577 422 Y CB 0.247 38.701 38.460 -0.010 0.000 1.234 422 Y HN 0.155 nan 8.280 nan 0.000 0.590 423 K N 3.102 123.167 120.400 -0.557 0.000 3.445 423 K HA -0.243 4.077 4.320 0.000 0.000 0.316 423 K C 0.818 177.340 176.600 -0.130 0.000 1.278 423 K CA 1.559 57.603 56.287 -0.404 0.000 0.976 423 K CB -1.647 30.583 32.500 -0.450 0.000 1.238 423 K HN 1.471 nan 8.250 nan 0.000 0.430 424 G N 0.109 108.849 108.800 -0.099 0.000 2.198 424 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 424 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 424 G C -0.007 174.905 174.900 0.019 0.000 1.025 424 G CA 0.782 45.877 45.100 -0.008 0.000 0.769 424 G HN 0.475 nan 8.290 nan 0.000 0.507 425 M N -1.844 117.696 119.600 -0.101 0.000 2.101 425 M HA 0.558 5.038 4.480 0.000 0.000 0.340 425 M C -1.849 174.210 176.300 -0.402 0.000 1.057 425 M CA -2.340 52.735 55.300 -0.375 0.000 0.984 425 M CB 1.953 34.320 32.600 -0.388 0.000 1.560 425 M HN -0.144 nan 8.290 nan 0.000 0.435 426 P HA -0.019 nan 4.420 nan 0.000 0.219 426 P C 1.461 178.591 177.300 -0.282 0.000 1.150 426 P CA 1.340 64.258 63.100 -0.302 0.000 0.814 426 P CB 0.076 31.601 31.700 -0.293 0.000 0.787 427 G N -0.841 107.719 108.800 -0.400 0.000 2.848 427 G HA2 0.150 4.110 3.960 0.000 0.000 0.208 427 G HA3 0.150 4.110 3.960 0.000 0.000 0.208 427 G C 0.775 175.638 174.900 -0.062 0.000 1.152 427 G CA 0.246 45.240 45.100 -0.176 0.000 0.789 427 G HN 0.397 nan 8.290 nan 0.000 0.531 428 G N -0.731 107.976 108.800 -0.154 0.000 2.511 428 G HA2 0.616 4.576 3.960 0.000 0.000 0.316 428 G HA3 0.616 4.576 3.960 0.000 0.000 0.316 428 G C -0.828 173.914 174.900 -0.263 0.000 1.210 428 G CA -0.963 44.072 45.100 -0.109 0.000 0.969 428 G HN 0.258 nan 8.290 nan 0.000 0.492 429 R N 0.054 120.399 120.500 -0.258 0.000 2.603 429 R HA 0.302 4.642 4.340 0.000 0.000 0.280 429 R C -1.597 174.651 176.300 -0.086 0.000 1.185 429 R CA -0.494 55.393 56.100 -0.354 0.000 1.039 429 R CB 0.716 30.411 30.300 -1.009 0.000 1.247 429 R HN 0.568 nan 8.270 nan 0.000 0.413 430 N N 2.958 121.649 118.700 -0.015 0.000 2.277 430 N HA 0.359 5.099 4.740 0.000 0.000 0.286 430 N C -1.682 173.774 175.510 -0.089 0.000 1.140 430 N CA -0.742 52.283 53.050 -0.042 0.000 0.799 430 N CB 2.357 40.787 38.487 -0.095 0.000 1.596 430 N HN 0.391 nan 8.380 nan 0.000 0.473 431 L N 2.737 123.773 121.223 -0.312 0.000 2.281 431 L HA 0.403 4.743 4.340 0.000 0.000 0.285 431 L C -1.254 175.326 176.870 -0.482 0.000 1.074 431 L CA 0.123 54.776 54.840 -0.312 0.000 0.817 431 L CB -0.361 41.493 42.059 -0.343 0.000 1.168 431 L HN 0.394 nan 8.230 nan 0.000 0.434 432 Y N 4.020 123.960 120.300 -0.600 0.000 2.567 432 Y HA 0.614 5.164 4.550 0.000 0.000 0.333 432 Y C -0.192 175.395 175.900 -0.523 0.000 1.106 432 Y CA -0.708 57.003 58.100 -0.649 0.000 1.157 432 Y CB 1.596 39.460 38.460 -0.992 0.000 1.277 432 Y HN 0.550 nan 8.280 nan 0.000 0.490 433 K N 2.167 122.443 120.400 -0.207 0.000 2.422 433 K HA 0.734 5.054 4.320 0.000 0.000 0.251 433 K C -1.976 174.606 176.600 -0.031 0.000 0.933 433 K CA -0.728 55.389 56.287 -0.283 0.000 0.798 433 K CB 2.531 34.642 32.500 -0.648 0.000 1.238 433 K HN 0.771 nan 8.250 nan 0.000 0.428 434 I N 1.926 122.524 120.570 0.046 0.000 2.509 434 I HA 0.197 4.367 4.170 0.000 0.000 0.293 434 I C -0.834 175.357 176.117 0.124 0.000 1.020 434 I CA -0.797 60.582 61.300 0.131 0.000 1.088 434 I CB 2.128 40.195 38.000 0.112 0.000 1.267 434 I HN 0.864 nan 8.210 nan 0.000 0.430 435 Q N 5.162 125.024 119.800 0.104 0.000 2.296 435 Q HA 0.110 4.450 4.340 0.000 0.000 0.263 435 Q C 0.188 176.128 176.000 -0.100 0.000 1.026 435 Q CA -0.453 55.246 55.803 -0.173 0.000 0.912 435 Q CB 1.176 29.855 28.738 -0.099 0.000 1.198 435 Q HN 0.756 nan 8.270 nan 0.000 0.407 436 L N 2.887 123.980 121.223 -0.218 0.000 2.083 436 L HA -0.168 4.172 4.340 0.000 0.000 0.209 436 L C 2.173 179.006 176.870 -0.062 0.000 1.083 436 L CA 1.923 56.731 54.840 -0.054 0.000 0.752 436 L CB -0.820 41.171 42.059 -0.113 0.000 0.899 436 L HN 0.768 nan 8.230 nan 0.000 0.433 437 S N -2.325 113.275 115.700 -0.165 0.000 2.561 437 S HA 0.002 4.472 4.470 0.000 0.000 0.225 437 S C 0.437 174.910 174.600 -0.212 0.000 0.977 437 S CA 0.226 58.316 58.200 -0.183 0.000 0.926 437 S CB -0.059 63.048 63.200 -0.156 0.000 0.769 437 S HN 0.409 nan 8.310 nan 0.000 0.533 438 D N -0.372 119.925 120.400 -0.171 0.000 2.354 438 D HA 0.217 4.857 4.640 0.000 0.000 0.230 438 D C -0.514 175.805 176.300 0.032 0.000 1.361 438 D CA -0.568 53.351 54.000 -0.136 0.000 0.992 438 D CB 0.231 40.984 40.800 -0.077 0.000 1.409 438 D HN -0.072 nan 8.370 nan 0.000 0.573 439 Y N 1.091 121.364 120.300 -0.044 0.000 2.574 439 Y HA -0.052 4.498 4.550 0.000 0.000 0.294 439 Y C 2.413 178.315 175.900 0.004 0.000 1.142 439 Y CA 1.329 59.413 58.100 -0.026 0.000 1.314 439 Y CB -0.825 37.618 38.460 -0.027 0.000 0.991 439 Y HN 0.413 nan 8.280 nan 0.000 0.555 440 T N -3.086 111.551 114.554 0.138 0.000 3.067 440 T HA 0.010 4.360 4.350 0.000 0.000 0.257 440 T C 0.818 175.574 174.700 0.094 0.000 1.105 440 T CA 0.102 62.261 62.100 0.098 0.000 1.104 440 T CB 0.000 68.902 68.868 0.056 0.000 0.925 440 T HN -0.058 nan 8.240 nan 0.000 0.498 441 K N 2.921 123.378 120.400 0.094 0.000 2.142 441 K HA 0.382 4.702 4.320 0.000 0.000 0.250 441 K C -0.930 175.744 176.600 0.123 0.000 1.148 441 K CA -0.101 56.242 56.287 0.093 0.000 1.040 441 K CB 0.517 33.065 32.500 0.080 0.000 1.569 441 K HN 0.221 nan 8.250 nan 0.000 0.361 442 V N 2.482 122.470 119.914 0.123 0.000 2.334 442 V HA 0.180 4.300 4.120 0.000 0.000 0.281 442 V C 0.203 176.361 176.094 0.107 0.000 1.016 442 V CA -0.718 61.673 62.300 0.152 0.000 0.832 442 V CB 1.387 33.337 31.823 0.211 0.000 0.999 442 V HN 0.455 nan 8.190 nan 0.000 0.439 443 T N 3.457 118.033 114.554 0.037 0.000 2.829 443 T HA 0.247 4.597 4.350 0.000 0.000 0.282 443 T C -0.155 174.425 174.700 -0.201 0.000 0.990 443 T CA -0.277 61.782 62.100 -0.068 0.000 1.028 443 T CB 1.332 70.136 68.868 -0.107 0.000 0.951 443 T HN 0.755 nan 8.240 nan 0.000 0.460 444 C N 5.204 124.294 119.300 -0.350 0.000 2.281 444 C HA 0.406 4.866 4.460 0.000 0.000 0.336 444 C C 1.359 175.991 174.990 -0.597 0.000 1.217 444 C CA -0.688 57.856 59.018 -0.790 0.000 1.730 444 C CB -1.957 25.221 27.740 -0.936 0.000 2.338 444 C HN 0.869 nan 8.230 nan 0.000 0.521 445 L N 4.913 125.786 121.223 -0.585 0.000 2.554 445 L HA 0.095 4.435 4.340 0.000 0.000 0.226 445 L C 2.185 178.756 176.870 -0.499 0.000 1.137 445 L CA 1.561 56.144 54.840 -0.428 0.000 0.863 445 L CB -0.146 41.700 42.059 -0.354 0.000 0.985 445 L HN 0.922 nan 8.230 nan 0.000 0.451 446 S N -5.122 110.182 115.700 -0.661 0.000 2.648 446 S HA -0.006 4.464 4.470 0.000 0.000 0.270 446 S C 1.839 176.061 174.600 -0.631 0.000 1.080 446 S CA 0.153 57.875 58.200 -0.796 0.000 1.159 446 S CB -0.622 61.735 63.200 -1.405 0.000 1.091 446 S HN 0.235 nan 8.310 nan 0.000 0.605 447 C N 2.763 121.650 119.300 -0.687 0.000 2.398 447 C HA -0.020 4.440 4.460 0.000 0.000 0.276 447 C C 2.663 177.343 174.990 -0.516 0.000 1.222 447 C CA 1.277 59.784 59.018 -0.852 0.000 1.746 447 C CB -0.949 25.954 27.740 -1.394 0.000 2.039 447 C HN 0.580 nan 8.230 nan 0.000 0.470 448 E N 0.628 120.604 120.200 -0.372 0.000 2.371 448 E HA 0.059 4.409 4.350 0.000 0.000 0.194 448 E C 2.108 178.651 176.600 -0.094 0.000 1.012 448 E CA 0.299 56.593 56.400 -0.177 0.000 0.860 448 E CB -0.456 29.159 29.700 -0.142 0.000 0.811 448 E HN 0.649 nan 8.360 nan 0.000 0.502 449 L N 0.486 121.645 121.223 -0.106 0.000 2.263 449 L HA -0.142 4.198 4.340 0.000 0.000 0.216 449 L C 0.795 177.678 176.870 0.022 0.000 1.111 449 L CA 1.000 55.823 54.840 -0.028 0.000 0.773 449 L CB -0.261 41.791 42.059 -0.012 0.000 0.906 449 L HN 0.124 nan 8.230 nan 0.000 0.439 450 N N -2.047 116.675 118.700 0.037 0.000 3.804 450 N HA 0.027 4.767 4.740 0.000 0.000 0.127 450 N C -2.273 173.269 175.510 0.054 0.000 1.217 450 N CA -0.503 52.572 53.050 0.041 0.000 1.795 450 N CB 0.207 38.720 38.487 0.043 0.000 1.663 450 N HN -0.224 nan 8.380 nan 0.000 0.723 451 P HA -0.017 nan 4.420 nan 0.000 0.220 451 P C 1.010 178.361 177.300 0.084 0.000 1.148 451 P CA 0.998 64.160 63.100 0.104 0.000 0.803 451 P CB 0.545 32.326 31.700 0.136 0.000 0.782 452 E N -0.733 119.497 120.200 0.050 0.000 2.072 452 E HA -0.138 4.212 4.350 0.000 0.000 0.191 452 E C 2.177 178.783 176.600 0.011 0.000 0.985 452 E CA 0.751 57.170 56.400 0.031 0.000 0.801 452 E CB -0.093 29.617 29.700 0.017 0.000 0.750 452 E HN 0.136 nan 8.360 nan 0.000 0.452 453 R N -0.619 119.878 120.500 -0.006 0.000 2.237 453 R HA 0.113 4.453 4.340 0.000 0.000 0.195 453 R C -0.272 175.984 176.300 -0.073 0.000 0.956 453 R CA 0.267 56.341 56.100 -0.044 0.000 1.029 453 R CB 0.609 30.875 30.300 -0.058 0.000 0.972 453 R HN 0.052 nan 8.270 nan 0.000 0.493 454 c N 0.854 119.420 118.600 -0.056 0.000 2.383 454 c HA 0.397 4.967 4.570 0.000 0.000 0.330 454 c C -0.009 174.048 174.090 -0.054 0.000 1.168 454 c CA -0.661 55.571 56.329 -0.162 0.000 1.374 454 c CB 1.402 43.803 42.510 -0.182 0.000 2.014 454 c HN 0.494 nan 8.230 nan 0.000 0.439 455 Q N 0.512 120.274 119.800 -0.064 0.000 2.073 455 Q HA 0.193 4.533 4.340 0.000 0.000 0.215 455 Q C -0.889 175.148 176.000 0.062 0.000 0.776 455 Q CA 0.017 55.865 55.803 0.075 0.000 1.008 455 Q CB 1.342 30.150 28.738 0.118 0.000 1.196 455 Q HN 0.760 nan 8.270 nan 0.000 0.458 456 Y N 0.620 120.795 120.300 -0.210 0.000 2.402 456 Y HA 0.395 4.945 4.550 0.000 0.000 0.325 456 Y C -1.529 174.209 175.900 -0.269 0.000 1.009 456 Y CA -1.156 56.850 58.100 -0.157 0.000 1.278 456 Y CB 0.661 39.045 38.460 -0.127 0.000 1.105 456 Y HN -0.063 nan 8.280 nan 0.000 0.476 457 Y N 2.037 122.300 120.300 -0.061 0.000 2.487 457 Y HA 0.670 5.220 4.550 0.000 0.000 0.337 457 Y C 0.261 176.139 175.900 -0.035 0.000 1.076 457 Y CA -0.552 57.520 58.100 -0.047 0.000 1.115 457 Y CB 2.173 40.568 38.460 -0.109 0.000 1.235 457 Y HN 0.506 nan 8.280 nan 0.000 0.468 458 S N 0.585 116.391 115.700 0.176 0.000 2.667 458 S HA 0.855 5.325 4.470 0.000 0.000 0.292 458 S C -1.527 173.146 174.600 0.121 0.000 1.126 458 S CA -0.874 57.407 58.200 0.135 0.000 0.881 458 S CB 1.931 65.217 63.200 0.143 0.000 1.132 458 S HN 0.545 nan 8.310 nan 0.000 0.492 459 V N 0.463 120.446 119.914 0.115 0.000 2.925 459 V HA 0.834 4.954 4.120 0.000 0.000 0.311 459 V C -1.165 175.013 176.094 0.139 0.000 1.104 459 V CA -0.310 62.030 62.300 0.066 0.000 0.954 459 V CB 2.294 34.081 31.823 -0.060 0.000 1.022 459 V HN 1.150 nan 8.190 nan 0.000 0.427 460 S N 5.619 121.397 115.700 0.130 0.000 2.733 460 S HA 0.655 5.125 4.470 0.000 0.000 0.307 460 S C -0.997 173.776 174.600 0.289 0.000 1.127 460 S CA -0.404 57.972 58.200 0.293 0.000 1.097 460 S CB 0.294 63.716 63.200 0.370 0.000 1.003 460 S HN 0.483 nan 8.310 nan 0.000 0.477 461 F N 2.951 122.954 119.950 0.088 0.000 2.380 461 F HA 0.439 4.966 4.527 0.000 0.000 0.325 461 F C 1.472 176.793 175.800 -0.800 0.000 1.136 461 F CA -0.138 57.739 58.000 -0.205 0.000 1.171 461 F CB 1.136 40.003 39.000 -0.221 0.000 1.230 461 F HN 0.648 nan 8.300 nan 0.000 0.554 462 S N 1.351 116.443 115.700 -1.013 0.000 2.634 462 S HA 0.191 4.661 4.470 0.000 0.000 0.261 462 S C 1.126 175.457 174.600 -0.449 0.000 1.271 462 S CA -0.766 56.598 58.200 -1.394 0.000 0.985 462 S CB 0.889 63.355 63.200 -1.223 0.000 0.968 462 S HN 0.574 nan 8.310 nan 0.000 0.568 463 K N 0.657 120.915 120.400 -0.236 0.000 2.218 463 K HA -0.084 4.236 4.320 0.000 0.000 0.205 463 K C 0.754 177.324 176.600 -0.049 0.000 1.046 463 K CA 1.436 57.689 56.287 -0.057 0.000 0.933 463 K CB -0.211 32.301 32.500 0.020 0.000 0.728 463 K HN 0.704 nan 8.250 nan 0.000 0.454 464 E N -1.339 118.807 120.200 -0.090 0.000 2.660 464 E HA 0.177 4.527 4.350 0.000 0.000 0.216 464 E C -0.142 176.423 176.600 -0.058 0.000 0.986 464 E CA 0.137 56.509 56.400 -0.047 0.000 1.037 464 E CB 0.954 30.636 29.700 -0.030 0.000 1.041 464 E HN 0.173 nan 8.360 nan 0.000 0.480 465 A N 1.811 124.582 122.820 -0.082 0.000 2.930 465 A HA -0.279 4.041 4.320 0.000 0.000 0.273 465 A C 1.317 178.886 177.584 -0.026 0.000 1.435 465 A CA 1.436 53.474 52.037 0.002 0.000 0.780 465 A CB -2.160 16.759 19.000 -0.134 0.000 1.034 465 A HN 0.222 nan 8.150 nan 0.000 0.562 466 K N -1.805 118.512 120.400 -0.139 0.000 2.167 466 K HA 0.120 4.440 4.320 0.000 0.000 0.203 466 K C 0.058 176.318 176.600 -0.568 0.000 1.052 466 K CA 1.431 57.515 56.287 -0.338 0.000 0.956 466 K CB 0.031 32.296 32.500 -0.392 0.000 0.735 466 K HN 0.710 nan 8.250 nan 0.000 0.451 467 Y N -1.170 119.068 120.300 -0.103 0.000 2.609 467 Y HA 0.315 4.865 4.550 0.000 0.000 0.342 467 Y C -0.941 174.871 175.900 -0.147 0.000 1.058 467 Y CA -1.401 56.631 58.100 -0.113 0.000 1.055 467 Y CB 1.667 40.099 38.460 -0.047 0.000 1.292 467 Y HN -0.053 nan 8.280 nan 0.000 0.476 468 Y N -1.154 119.112 120.300 -0.056 0.000 2.552 468 Y HA 0.521 5.071 4.550 0.000 0.000 0.337 468 Y C -1.374 174.523 175.900 -0.005 0.000 1.094 468 Y CA -1.446 56.456 58.100 -0.330 0.000 1.028 468 Y CB 1.584 39.283 38.460 -1.268 0.000 1.321 468 Y HN 0.583 nan 8.280 nan 0.000 0.456 469 Q N 3.863 123.776 119.800 0.187 0.000 2.325 469 Q HA 0.527 4.867 4.340 0.000 0.000 0.262 469 Q C -1.708 174.367 176.000 0.125 0.000 0.968 469 Q CA -0.667 55.225 55.803 0.147 0.000 0.877 469 Q CB 1.270 30.078 28.738 0.117 0.000 1.253 469 Q HN 0.958 nan 8.270 nan 0.000 0.448 470 L N 3.777 125.082 121.223 0.136 0.000 2.326 470 L HA 0.451 4.791 4.340 0.000 0.000 0.278 470 L C -0.225 176.705 176.870 0.099 0.000 1.092 470 L CA -0.492 54.425 54.840 0.129 0.000 0.810 470 L CB 1.004 43.136 42.059 0.122 0.000 1.153 470 L HN 0.528 nan 8.230 nan 0.000 0.439 471 R N 2.000 122.532 120.500 0.054 0.000 2.288 471 R HA 0.295 4.635 4.340 0.000 0.000 0.326 471 R C -0.930 175.243 176.300 -0.212 0.000 0.959 471 R CA -0.253 55.714 56.100 -0.222 0.000 0.834 471 R CB 1.304 31.496 30.300 -0.180 0.000 1.157 471 R HN 0.604 nan 8.270 nan 0.000 0.470 472 c N 2.749 121.116 118.600 -0.389 0.000 2.347 472 c HA 0.529 5.099 4.570 0.000 0.000 0.353 472 c C 1.016 174.868 174.090 -0.396 0.000 1.273 472 c CA -0.215 55.764 56.329 -0.583 0.000 1.861 472 c CB 0.010 42.154 42.510 -0.610 0.000 2.420 472 c HN 0.971 nan 8.230 nan 0.000 0.542 473 S N 3.475 119.016 115.700 -0.265 0.000 2.846 473 S HA 0.614 5.084 4.470 0.000 0.000 0.249 473 S C 0.204 174.741 174.600 -0.105 0.000 1.028 473 S CA 0.193 58.297 58.200 -0.160 0.000 1.043 473 S CB 0.106 63.237 63.200 -0.114 0.000 0.990 473 S HN 1.862 nan 8.310 nan 0.000 0.564 474 G N 1.823 110.555 108.800 -0.113 0.000 2.340 474 G HA2 0.443 4.403 3.960 0.000 0.000 0.298 474 G HA3 0.443 4.403 3.960 0.000 0.000 0.298 474 G C -3.201 171.674 174.900 -0.043 0.000 1.498 474 G CA -0.713 44.364 45.100 -0.037 0.000 0.847 474 G HN -0.124 nan 8.290 nan 0.000 0.594 475 P HA 0.173 nan 4.420 nan 0.000 0.249 475 P C 1.255 178.577 177.300 0.037 0.000 1.229 475 P CA 0.971 64.098 63.100 0.044 0.000 0.788 475 P CB 0.516 32.241 31.700 0.043 0.000 1.072 476 G N 0.403 109.157 108.800 -0.077 0.000 2.563 476 G HA2 0.395 4.355 3.960 0.000 0.000 0.283 476 G HA3 0.395 4.355 3.960 0.000 0.000 0.283 476 G C -0.268 174.390 174.900 -0.404 0.000 1.309 476 G CA -0.729 44.253 45.100 -0.197 0.000 1.022 476 G HN 0.036 nan 8.290 nan 0.000 0.501 477 L N 1.119 122.018 121.223 -0.540 0.000 2.456 477 L HA 0.157 4.497 4.340 0.000 0.000 0.272 477 L C -1.840 174.858 176.870 -0.286 0.000 1.189 477 L CA -1.304 53.182 54.840 -0.589 0.000 0.846 477 L CB 0.516 42.310 42.059 -0.441 0.000 1.111 477 L HN 0.247 nan 8.230 nan 0.000 0.475 478 P HA 0.041 nan 4.420 nan 0.000 0.266 478 P C -0.882 176.355 177.300 -0.105 0.000 1.193 478 P CA -0.018 62.992 63.100 -0.149 0.000 0.770 478 P CB 0.554 32.243 31.700 -0.018 0.000 0.836 479 L N 4.368 125.451 121.223 -0.233 0.000 2.491 479 L HA 0.430 4.770 4.340 0.000 0.000 0.267 479 L C -1.793 174.977 176.870 -0.166 0.000 0.971 479 L CA -0.592 54.189 54.840 -0.098 0.000 0.857 479 L CB 0.708 42.711 42.059 -0.092 0.000 1.226 479 L HN 0.184 nan 8.230 nan 0.000 0.408 480 Y N 2.699 122.960 120.300 -0.064 0.000 2.330 480 Y HA 0.779 5.329 4.550 0.000 0.000 0.336 480 Y C 0.741 176.547 175.900 -0.157 0.000 1.036 480 Y CA -0.507 57.541 58.100 -0.087 0.000 1.125 480 Y CB 1.907 40.294 38.460 -0.123 0.000 1.194 480 Y HN 0.663 nan 8.280 nan 0.000 0.469 481 T N 1.318 115.888 114.554 0.027 0.000 2.896 481 T HA 0.657 5.007 4.350 0.000 0.000 0.297 481 T C -1.452 173.205 174.700 -0.072 0.000 1.108 481 T CA -0.933 61.126 62.100 -0.068 0.000 1.004 481 T CB 1.784 70.644 68.868 -0.014 0.000 1.159 481 T HN 0.492 nan 8.240 nan 0.000 0.499 482 L N 1.260 122.341 121.223 -0.238 0.000 2.330 482 L HA 0.704 5.044 4.340 0.000 0.000 0.271 482 L C -1.158 175.438 176.870 -0.458 0.000 1.013 482 L CA -0.563 54.170 54.840 -0.179 0.000 0.816 482 L CB 1.726 43.705 42.059 -0.133 0.000 1.287 482 L HN 0.976 nan 8.230 nan 0.000 0.435 483 H N -0.152 118.707 119.070 -0.352 0.000 2.996 483 H HA 0.354 4.910 4.556 0.000 0.000 0.368 483 H C -0.500 174.597 175.328 -0.385 0.000 1.185 483 H CA -0.637 55.100 56.048 -0.517 0.000 1.160 483 H CB 1.922 31.001 29.762 -1.139 0.000 1.820 483 H HN 0.481 nan 8.280 nan 0.000 0.547 484 S N 0.434 116.079 115.700 -0.092 0.000 2.462 484 S HA 0.277 4.747 4.470 0.000 0.000 0.294 484 S C 0.399 174.947 174.600 -0.087 0.000 1.144 484 S CA -0.537 57.580 58.200 -0.139 0.000 1.088 484 S CB 1.558 64.685 63.200 -0.122 0.000 1.009 484 S HN 0.584 nan 8.310 nan 0.000 0.484 485 S N 2.655 118.329 115.700 -0.044 0.000 2.406 485 S HA -0.108 4.362 4.470 0.000 0.000 0.228 485 S C 1.966 176.603 174.600 0.062 0.000 1.020 485 S CA 0.790 59.088 58.200 0.162 0.000 0.965 485 S CB -0.636 62.666 63.200 0.170 0.000 0.798 485 S HN 0.784 nan 8.310 nan 0.000 0.488 486 V N 4.086 123.985 119.914 -0.025 0.000 2.313 486 V HA -0.288 3.832 4.120 0.000 0.000 0.253 486 V C 1.231 177.334 176.094 0.015 0.000 1.070 486 V CA 2.538 64.835 62.300 -0.005 0.000 1.057 486 V CB -0.621 31.181 31.823 -0.035 0.000 0.653 486 V HN 0.869 nan 8.190 nan 0.000 0.450 487 N N -3.397 115.309 118.700 0.010 0.000 2.118 487 N HA 0.091 4.831 4.740 0.000 0.000 0.226 487 N C -0.199 175.322 175.510 0.019 0.000 1.305 487 N CA 0.345 53.402 53.050 0.013 0.000 0.890 487 N CB 0.646 39.140 38.487 0.012 0.000 1.118 487 N HN 0.347 nan 8.380 nan 0.000 0.511 488 D N 1.084 121.512 120.400 0.047 0.000 2.870 488 D HA -0.161 4.479 4.640 0.000 0.000 0.228 488 D C -0.341 176.003 176.300 0.073 0.000 1.147 488 D CA 1.121 55.177 54.000 0.093 0.000 0.757 488 D CB -0.810 40.029 40.800 0.066 0.000 1.091 488 D HN 0.523 nan 8.370 nan 0.000 0.429 489 K N 0.692 121.110 120.400 0.030 0.000 2.322 489 K HA 0.389 4.709 4.320 0.000 0.000 0.283 489 K C 0.700 177.275 176.600 -0.041 0.000 1.042 489 K CA 0.002 56.291 56.287 0.003 0.000 0.958 489 K CB 0.839 33.334 32.500 -0.009 0.000 0.984 489 K HN 0.071 nan 8.250 nan 0.000 0.473 490 G N 5.029 113.780 108.800 -0.082 0.000 2.367 490 G HA2 0.125 4.085 3.960 0.000 0.000 0.280 490 G HA3 0.125 4.085 3.960 0.000 0.000 0.280 490 G C 0.617 175.351 174.900 -0.276 0.000 1.175 490 G CA -0.398 44.493 45.100 -0.348 0.000 1.001 490 G HN 0.722 nan 8.290 nan 0.000 0.437 491 L N 2.061 123.096 121.223 -0.313 0.000 2.034 491 L HA 0.233 4.573 4.340 0.000 0.000 0.203 491 L C 1.756 178.532 176.870 -0.156 0.000 1.074 491 L CA 1.073 55.814 54.840 -0.165 0.000 0.748 491 L CB -0.269 41.729 42.059 -0.102 0.000 0.905 491 L HN 0.720 nan 8.230 nan 0.000 0.439 492 R N -1.888 118.489 120.500 -0.205 0.000 2.747 492 R HA 0.472 4.812 4.340 0.000 0.000 0.272 492 R C -1.573 174.612 176.300 -0.193 0.000 1.032 492 R CA -0.899 55.104 56.100 -0.160 0.000 0.896 492 R CB 1.630 31.866 30.300 -0.106 0.000 1.253 492 R HN -0.274 nan 8.270 nan 0.000 0.461 493 V N 2.766 122.589 119.914 -0.151 0.000 2.385 493 V HA 0.165 4.285 4.120 0.000 0.000 0.269 493 V C 1.285 177.253 176.094 -0.210 0.000 1.043 493 V CA -0.354 61.856 62.300 -0.151 0.000 0.906 493 V CB 1.060 32.827 31.823 -0.094 0.000 0.995 493 V HN 0.638 nan 8.190 nan 0.000 0.467 494 L N 2.963 123.993 121.223 -0.321 0.000 2.131 494 L HA 0.196 4.536 4.340 0.000 0.000 0.206 494 L C 0.829 177.402 176.870 -0.494 0.000 1.087 494 L CA 0.946 55.403 54.840 -0.639 0.000 0.767 494 L CB 0.174 41.532 42.059 -1.168 0.000 0.917 494 L HN 0.693 nan 8.230 nan 0.000 0.441 495 E N -0.685 119.380 120.200 -0.226 0.000 2.378 495 E HA 0.121 4.471 4.350 0.000 0.000 0.283 495 E C -1.426 175.209 176.600 0.058 0.000 0.979 495 E CA -0.358 56.007 56.400 -0.058 0.000 0.795 495 E CB 1.265 30.928 29.700 -0.062 0.000 1.221 495 E HN 0.123 nan 8.360 nan 0.000 0.428 496 D N 2.639 123.065 120.400 0.043 0.000 2.530 496 D HA 0.122 4.762 4.640 0.000 0.000 0.253 496 D C -0.342 175.970 176.300 0.019 0.000 1.338 496 D CA -0.210 53.808 54.000 0.030 0.000 0.806 496 D CB -0.159 40.638 40.800 -0.005 0.000 1.160 496 D HN 0.457 nan 8.370 nan 0.000 0.514 497 N N 0.899 119.624 118.700 0.042 0.000 2.681 497 N HA -0.226 4.514 4.740 0.000 0.000 0.250 497 N C 1.198 176.714 175.510 0.010 0.000 1.133 497 N CA 1.116 54.185 53.050 0.032 0.000 0.732 497 N CB -1.616 36.883 38.487 0.019 0.000 1.107 497 N HN 0.508 nan 8.380 nan 0.000 0.559 498 S N -0.898 114.806 115.700 0.008 0.000 2.400 498 S HA -0.090 4.380 4.470 0.000 0.000 0.232 498 S C 2.138 176.752 174.600 0.022 0.000 1.025 498 S CA 1.176 59.379 58.200 0.005 0.000 0.993 498 S CB -0.285 62.917 63.200 0.004 0.000 0.808 498 S HN 0.557 nan 8.310 nan 0.000 0.478 499 A N 2.318 125.159 122.820 0.035 0.000 1.869 499 A HA -0.096 4.224 4.320 0.000 0.000 0.218 499 A C 2.269 179.894 177.584 0.068 0.000 1.203 499 A CA 1.933 54.000 52.037 0.050 0.000 0.638 499 A CB -1.099 17.934 19.000 0.055 0.000 0.831 499 A HN 0.529 nan 8.150 nan 0.000 0.450 500 L N -0.171 121.096 121.223 0.073 0.000 2.046 500 L HA -0.154 4.186 4.340 0.000 0.000 0.208 500 L C 2.045 178.955 176.870 0.066 0.000 1.077 500 L CA 2.595 57.496 54.840 0.102 0.000 0.747 500 L CB -0.602 41.517 42.059 0.099 0.000 0.896 500 L HN 0.459 nan 8.230 nan 0.000 0.432 501 D N -0.521 119.889 120.400 0.017 0.000 2.133 501 D HA -0.221 4.419 4.640 0.000 0.000 0.195 501 D C 1.998 178.307 176.300 0.016 0.000 0.997 501 D CA 1.034 55.028 54.000 -0.011 0.000 0.840 501 D CB 0.143 40.925 40.800 -0.029 0.000 0.947 501 D HN 0.187 nan 8.370 nan 0.000 0.452 502 K N 0.121 120.543 120.400 0.036 0.000 1.969 502 K HA -0.119 4.201 4.320 0.000 0.000 0.216 502 K C 2.396 179.039 176.600 0.072 0.000 1.048 502 K CA 0.966 57.282 56.287 0.048 0.000 0.948 502 K CB -0.942 31.589 32.500 0.052 0.000 0.726 502 K HN 0.322 nan 8.250 nan 0.000 0.442 503 M N 0.657 120.326 119.600 0.115 0.000 2.260 503 M HA -0.179 4.301 4.480 0.000 0.000 0.261 503 M C 2.148 178.538 176.300 0.149 0.000 1.066 503 M CA 1.333 56.748 55.300 0.190 0.000 1.082 503 M CB -0.286 32.505 32.600 0.317 0.000 1.388 503 M HN 0.065 nan 8.290 nan 0.000 0.419 504 L N -0.099 121.159 121.223 0.058 0.000 2.313 504 L HA -0.151 4.189 4.340 0.000 0.000 0.214 504 L C 2.572 179.424 176.870 -0.029 0.000 1.119 504 L CA 0.703 55.514 54.840 -0.049 0.000 0.809 504 L CB -0.395 41.629 42.059 -0.060 0.000 0.933 504 L HN 0.454 nan 8.230 nan 0.000 0.449 505 Q N -1.366 118.438 119.800 0.006 0.000 2.435 505 Q HA -0.102 4.238 4.340 0.000 0.000 0.207 505 Q C 1.178 177.196 176.000 0.030 0.000 0.956 505 Q CA 0.589 56.399 55.803 0.012 0.000 0.917 505 Q CB -0.313 28.434 28.738 0.015 0.000 0.997 505 Q HN 0.366 nan 8.270 nan 0.000 0.497 506 N N 1.240 119.970 118.700 0.050 0.000 2.550 506 N HA -0.003 4.737 4.740 0.000 0.000 0.186 506 N C -0.201 175.353 175.510 0.073 0.000 1.110 506 N CA 0.318 53.412 53.050 0.073 0.000 0.912 506 N CB 0.740 39.294 38.487 0.111 0.000 0.968 506 N HN 0.209 nan 8.380 nan 0.000 0.448 507 V N 0.550 120.485 119.914 0.036 0.000 2.735 507 V HA 0.281 4.401 4.120 0.000 0.000 0.310 507 V C -0.837 175.255 176.094 -0.004 0.000 1.061 507 V CA -0.841 61.477 62.300 0.030 0.000 0.913 507 V CB 2.001 33.826 31.823 0.003 0.000 1.005 507 V HN 0.001 nan 8.190 nan 0.000 0.428 508 Q N 6.396 126.200 119.800 0.007 0.000 2.613 508 Q HA 0.249 4.589 4.340 0.000 0.000 0.228 508 Q C -0.163 175.790 176.000 -0.078 0.000 1.318 508 Q CA -0.138 55.634 55.803 -0.052 0.000 0.907 508 Q CB 0.185 28.892 28.738 -0.053 0.000 1.593 508 Q HN 0.626 nan 8.270 nan 0.000 0.559 509 M N 2.659 122.203 119.600 -0.094 0.000 2.232 509 M HA 0.261 4.741 4.480 0.000 0.000 0.321 509 M C -2.036 174.184 176.300 -0.133 0.000 1.101 509 M CA -2.222 53.008 55.300 -0.115 0.000 1.181 509 M CB -0.605 31.933 32.600 -0.104 0.000 1.432 509 M HN 0.262 nan 8.290 nan 0.000 0.457 510 P HA 0.362 nan 4.420 nan 0.000 0.280 510 P C -0.986 176.230 177.300 -0.140 0.000 1.272 510 P CA -0.575 62.431 63.100 -0.157 0.000 0.819 510 P CB 0.688 32.281 31.700 -0.179 0.000 1.122 511 S N -0.974 114.636 115.700 -0.150 0.000 2.689 511 S HA 0.643 5.113 4.470 0.000 0.000 0.306 511 S C -0.682 173.827 174.600 -0.152 0.000 1.104 511 S CA -0.813 57.314 58.200 -0.122 0.000 0.973 511 S CB 1.524 64.663 63.200 -0.102 0.000 1.121 511 S HN 0.436 nan 8.310 nan 0.000 0.523 512 K N 0.802 121.136 120.400 -0.111 0.000 2.413 512 K HA 0.353 4.673 4.320 0.000 0.000 0.257 512 K C -1.235 175.310 176.600 -0.092 0.000 0.946 512 K CA -0.483 55.739 56.287 -0.109 0.000 0.823 512 K CB 1.214 33.667 32.500 -0.078 0.000 1.109 512 K HN 0.676 nan 8.250 nan 0.000 0.427 513 K N 5.606 125.936 120.400 -0.116 0.000 2.185 513 K HA 0.297 4.617 4.320 0.000 0.000 0.269 513 K C -1.181 175.358 176.600 -0.102 0.000 0.987 513 K CA -0.616 55.612 56.287 -0.098 0.000 0.865 513 K CB 0.965 33.399 32.500 -0.111 0.000 1.090 513 K HN 0.590 nan 8.250 nan 0.000 0.450 514 L N 4.463 125.645 121.223 -0.068 0.000 2.316 514 L HA 0.358 4.698 4.340 0.000 0.000 0.280 514 L C -1.124 175.722 176.870 -0.039 0.000 1.006 514 L CA -0.134 54.694 54.840 -0.019 0.000 0.836 514 L CB 1.218 43.335 42.059 0.096 0.000 1.221 514 L HN 0.824 nan 8.230 nan 0.000 0.418 515 D N 2.933 123.129 120.400 -0.340 0.000 2.812 515 D HA 0.562 5.202 4.640 0.000 0.000 0.318 515 D C -1.346 174.652 176.300 -0.503 0.000 1.234 515 D CA -0.045 53.694 54.000 -0.436 0.000 0.989 515 D CB 1.838 42.339 40.800 -0.498 0.000 1.442 515 D HN 0.240 nan 8.370 nan 0.000 0.537 516 F N -0.464 119.224 119.950 -0.437 0.000 2.650 516 F HA 0.754 5.281 4.527 0.000 0.000 0.320 516 F C -0.689 175.226 175.800 0.192 0.000 1.091 516 F CA -1.107 56.730 58.000 -0.273 0.000 0.962 516 F CB 0.844 39.175 39.000 -1.114 0.000 1.363 516 F HN 0.338 nan 8.300 nan 0.000 0.482 517 I N -0.484 120.425 120.570 0.564 0.000 3.170 517 I HA 0.724 4.894 4.170 0.000 0.000 0.312 517 I C -1.433 174.946 176.117 0.438 0.000 1.085 517 I CA -1.339 60.203 61.300 0.403 0.000 0.999 517 I CB 2.489 40.646 38.000 0.261 0.000 1.233 517 I HN 0.633 nan 8.210 nan 0.000 0.467 518 I N 3.266 124.017 120.570 0.302 0.000 2.389 518 I HA 0.463 4.633 4.170 0.000 0.000 0.288 518 I C -0.994 175.261 176.117 0.231 0.000 0.999 518 I CA -0.492 60.955 61.300 0.245 0.000 1.129 518 I CB 1.756 39.860 38.000 0.173 0.000 1.288 518 I HN 0.382 nan 8.210 nan 0.000 0.444 519 L N 6.007 127.426 121.223 0.327 0.000 2.386 519 L HA 0.501 4.841 4.340 0.000 0.000 0.271 519 L C -0.293 176.721 176.870 0.240 0.000 0.993 519 L CA -1.041 53.956 54.840 0.263 0.000 0.819 519 L CB 1.572 43.792 42.059 0.267 0.000 1.294 519 L HN 0.536 nan 8.230 nan 0.000 0.414 520 N N 1.830 120.609 118.700 0.132 0.000 2.678 520 N HA -0.226 4.514 4.740 0.000 0.000 0.268 520 N C -0.127 175.421 175.510 0.063 0.000 1.010 520 N CA 1.023 54.124 53.050 0.085 0.000 0.784 520 N CB -1.042 37.491 38.487 0.077 0.000 0.905 520 N HN 0.776 nan 8.380 nan 0.000 0.552 521 E N -2.701 117.528 120.200 0.049 0.000 2.170 521 E HA -0.280 4.070 4.350 0.000 0.000 0.214 521 E C 0.190 176.770 176.600 -0.032 0.000 1.344 521 E CA 1.432 57.842 56.400 0.015 0.000 0.714 521 E CB -1.732 27.973 29.700 0.008 0.000 1.112 521 E HN 0.747 nan 8.360 nan 0.000 0.350 522 T N -2.137 112.380 114.554 -0.061 0.000 2.893 522 T HA 0.530 4.880 4.350 0.000 0.000 0.291 522 T C -0.210 174.281 174.700 -0.348 0.000 1.028 522 T CA -1.400 60.564 62.100 -0.228 0.000 0.995 522 T CB 1.871 70.548 68.868 -0.318 0.000 1.051 522 T HN 0.157 nan 8.240 nan 0.000 0.470 523 K N 1.973 122.107 120.400 -0.443 0.000 2.205 523 K HA 0.518 4.838 4.320 0.000 0.000 0.279 523 K C -1.325 174.945 176.600 -0.550 0.000 1.027 523 K CA -0.619 55.384 56.287 -0.473 0.000 0.932 523 K CB 0.726 32.672 32.500 -0.923 0.000 1.032 523 K HN 0.577 nan 8.250 nan 0.000 0.466 524 F N 1.288 121.274 119.950 0.061 0.000 2.493 524 F HA 0.304 4.831 4.527 0.000 0.000 0.329 524 F C -0.672 175.248 175.800 0.201 0.000 1.126 524 F CA -0.900 57.187 58.000 0.146 0.000 0.937 524 F CB 1.175 40.319 39.000 0.240 0.000 1.146 524 F HN 0.489 nan 8.300 nan 0.000 0.442 525 W N 3.769 125.232 121.300 0.271 0.000 2.316 525 W HA 0.480 5.140 4.660 0.000 0.000 0.321 525 W C -0.535 176.203 176.519 0.366 0.000 1.203 525 W CA -0.662 56.871 57.345 0.312 0.000 1.214 525 W CB 0.527 30.091 29.460 0.174 0.000 1.169 525 W HN 0.426 nan 8.180 nan 0.000 0.561 526 Y N -0.142 120.496 120.300 0.563 0.000 2.605 526 Y HA 0.725 5.275 4.550 0.000 0.000 0.343 526 Y C -0.729 175.393 175.900 0.369 0.000 1.036 526 Y CA -1.922 56.504 58.100 0.544 0.000 1.065 526 Y CB 1.202 40.117 38.460 0.759 0.000 1.288 526 Y HN 0.555 nan 8.280 nan 0.000 0.481 527 Q N 2.058 122.067 119.800 0.350 0.000 2.421 527 Q HA 0.753 5.093 4.340 0.000 0.000 0.280 527 Q C -1.861 174.221 176.000 0.138 0.000 1.085 527 Q CA -1.154 54.728 55.803 0.132 0.000 0.807 527 Q CB 3.186 31.985 28.738 0.101 0.000 1.405 527 Q HN 0.858 nan 8.270 nan 0.000 0.419 528 M N 2.812 122.421 119.600 0.016 0.000 2.213 528 M HA 0.410 4.890 4.480 0.000 0.000 0.286 528 M C -1.234 174.980 176.300 -0.144 0.000 1.008 528 M CA -0.876 54.380 55.300 -0.073 0.000 0.937 528 M CB 2.113 34.636 32.600 -0.128 0.000 1.600 528 M HN 0.616 nan 8.290 nan 0.000 0.450 529 I N 5.153 125.639 120.570 -0.140 0.000 2.322 529 I HA 0.340 4.510 4.170 0.000 0.000 0.292 529 I C -0.327 175.632 176.117 -0.263 0.000 1.060 529 I CA -0.214 60.977 61.300 -0.181 0.000 1.309 529 I CB 0.069 37.982 38.000 -0.145 0.000 1.415 529 I HN 0.656 nan 8.210 nan 0.000 0.492 530 L N 8.606 129.625 121.223 -0.340 0.000 2.309 530 L HA 0.462 4.802 4.340 0.000 0.000 0.282 530 L C -2.194 174.482 176.870 -0.324 0.000 1.036 530 L CA -1.818 52.721 54.840 -0.501 0.000 0.806 530 L CB 1.306 42.909 42.059 -0.759 0.000 1.220 530 L HN 0.293 nan 8.230 nan 0.000 0.429 531 P HA 0.061 nan 4.420 nan 0.000 0.268 531 P C -2.457 174.793 177.300 -0.083 0.000 1.208 531 P CA -0.920 62.106 63.100 -0.124 0.000 0.777 531 P CB -0.295 31.401 31.700 -0.007 0.000 0.875 532 P HA -0.095 nan 4.420 nan 0.000 0.268 532 P C -0.159 177.032 177.300 -0.182 0.000 1.208 532 P CA 0.700 63.646 63.100 -0.257 0.000 0.777 532 P CB -0.060 31.402 31.700 -0.396 0.000 0.875 533 H N -1.369 117.735 119.070 0.057 0.000 2.713 533 H HA -0.210 4.346 4.556 0.000 0.000 0.311 533 H C 0.027 175.410 175.328 0.092 0.000 1.175 533 H CA 0.127 56.210 56.048 0.058 0.000 1.143 533 H CB -2.622 27.166 29.762 0.044 0.000 1.434 533 H HN 0.413 nan 8.280 nan 0.000 0.418 534 F N 2.701 122.649 119.950 -0.003 0.000 2.546 534 F HA 0.157 4.684 4.527 0.000 0.000 0.388 534 F C 0.463 176.256 175.800 -0.013 0.000 1.051 534 F CA -0.615 57.333 58.000 -0.087 0.000 1.130 534 F CB 0.413 39.249 39.000 -0.273 0.000 1.044 534 F HN 0.140 nan 8.300 nan 0.000 0.553 535 D N 6.359 126.524 120.400 -0.391 0.000 2.443 535 D HA 0.095 4.735 4.640 0.000 0.000 0.221 535 D C 0.846 176.774 176.300 -0.621 0.000 1.097 535 D CA -0.501 53.253 54.000 -0.410 0.000 0.865 535 D CB 0.791 41.525 40.800 -0.110 0.000 1.034 535 D HN 0.695 nan 8.370 nan 0.000 0.511 536 K N 1.712 121.625 120.400 -0.811 0.000 2.585 536 K HA -0.092 4.228 4.320 0.000 0.000 0.194 536 K C 0.666 177.213 176.600 -0.087 0.000 1.037 536 K CA 0.905 56.818 56.287 -0.625 0.000 0.964 536 K CB -0.080 32.184 32.500 -0.393 0.000 0.787 536 K HN 0.222 nan 8.250 nan 0.000 0.488 537 S N -0.543 115.107 115.700 -0.082 0.000 2.523 537 S HA 0.161 4.631 4.470 0.000 0.000 0.217 537 S C 0.127 174.734 174.600 0.011 0.000 0.996 537 S CA -0.662 57.538 58.200 -0.001 0.000 0.921 537 S CB 0.178 63.359 63.200 -0.032 0.000 0.829 537 S HN 0.208 nan 8.310 nan 0.000 0.495 538 K N 1.342 121.746 120.400 0.008 0.000 2.090 538 K HA 0.416 4.736 4.320 0.000 0.000 0.249 538 K C -0.598 176.002 176.600 0.000 0.000 0.995 538 K CA -0.820 55.419 56.287 -0.081 0.000 0.914 538 K CB 0.516 32.842 32.500 -0.289 0.000 1.057 538 K HN -0.063 nan 8.250 nan 0.000 0.462 539 K N 2.509 122.850 120.400 -0.098 0.000 2.266 539 K HA 0.204 4.524 4.320 0.000 0.000 0.274 539 K C -0.838 175.703 176.600 -0.098 0.000 1.090 539 K CA -0.108 56.165 56.287 -0.022 0.000 0.925 539 K CB 0.125 32.594 32.500 -0.051 0.000 1.225 539 K HN 0.443 nan 8.250 nan 0.000 0.458 540 Y N 3.425 123.767 120.300 0.070 0.000 2.320 540 Y HA 0.212 4.762 4.550 0.000 0.000 0.324 540 Y C -1.642 174.198 175.900 -0.100 0.000 1.190 540 Y CA -2.098 56.015 58.100 0.022 0.000 1.215 540 Y CB 0.803 39.343 38.460 0.133 0.000 1.221 540 Y HN 0.435 nan 8.280 nan 0.000 0.486 541 P HA 0.186 nan 4.420 nan 0.000 0.279 541 P C -1.177 175.964 177.300 -0.266 0.000 1.239 541 P CA -0.232 62.589 63.100 -0.464 0.000 0.789 541 P CB 1.464 32.561 31.700 -1.005 0.000 0.933 542 L N 3.572 124.682 121.223 -0.189 0.000 2.362 542 L HA 0.492 4.832 4.340 0.000 0.000 0.275 542 L C -1.022 176.030 176.870 0.303 0.000 0.998 542 L CA -0.945 53.935 54.840 0.068 0.000 0.820 542 L CB 1.488 43.589 42.059 0.071 0.000 1.270 542 L HN 0.250 nan 8.230 nan 0.000 0.415 543 L N 5.950 127.374 121.223 0.336 0.000 2.280 543 L HA 0.393 4.733 4.340 0.000 0.000 0.287 543 L C -1.056 176.052 176.870 0.397 0.000 1.023 543 L CA -0.867 54.229 54.840 0.426 0.000 0.819 543 L CB 1.633 43.897 42.059 0.341 0.000 1.212 543 L HN 0.603 nan 8.230 nan 0.000 0.420 544 L N 5.428 126.933 121.223 0.471 0.000 2.315 544 L HA 0.277 4.617 4.340 0.000 0.000 0.283 544 L C -0.130 176.987 176.870 0.411 0.000 1.089 544 L CA 0.253 55.360 54.840 0.445 0.000 0.833 544 L CB 0.638 43.013 42.059 0.526 0.000 1.170 544 L HN 0.480 nan 8.230 nan 0.000 0.442 545 D N 4.368 124.978 120.400 0.351 0.000 2.347 545 D HA 0.202 4.842 4.640 0.000 0.000 0.235 545 D C -1.036 175.345 176.300 0.135 0.000 1.149 545 D CA 0.066 54.192 54.000 0.211 0.000 0.850 545 D CB 1.312 42.291 40.800 0.299 0.000 1.061 545 D HN 0.344 nan 8.370 nan 0.000 0.487 546 V N 5.814 125.735 119.914 0.011 0.000 2.604 546 V HA 0.343 4.463 4.120 0.000 0.000 0.305 546 V C -0.681 175.496 176.094 0.139 0.000 1.043 546 V CA -0.447 61.922 62.300 0.115 0.000 0.888 546 V CB 1.729 33.622 31.823 0.118 0.000 0.995 546 V HN 0.647 nan 8.190 nan 0.000 0.429 547 Y N 5.572 125.931 120.300 0.098 0.000 2.740 547 Y HA 0.501 5.051 4.550 0.000 0.000 0.257 547 Y C 1.703 177.721 175.900 0.197 0.000 1.064 547 Y CA 1.305 59.485 58.100 0.134 0.000 1.351 547 Y CB 0.401 38.923 38.460 0.104 0.000 1.439 547 Y HN 0.930 nan 8.280 nan 0.000 0.488 548 A N 0.506 123.442 122.820 0.194 0.000 3.413 548 A HA -0.203 4.117 4.320 0.000 0.000 0.268 548 A C 1.075 178.508 177.584 -0.253 0.000 1.128 548 A CA 0.867 52.956 52.037 0.088 0.000 1.062 548 A CB -2.641 16.476 19.000 0.196 0.000 1.121 548 A HN 0.881 nan 8.150 nan 0.000 0.895 549 G N -0.593 107.841 108.800 -0.609 0.000 2.614 549 G HA2 0.437 4.396 3.960 0.000 0.000 0.239 549 G HA3 0.437 4.396 3.960 0.000 0.000 0.239 549 G C -2.150 172.505 174.900 -0.408 0.000 1.240 549 G CA -0.461 43.971 45.100 -1.112 0.000 0.842 549 G HN 0.292 nan 8.290 nan 0.000 0.584 550 P HA 0.028 nan 4.420 nan 0.000 0.260 550 P C 0.686 177.925 177.300 -0.102 0.000 1.172 550 P CA 0.222 63.113 63.100 -0.348 0.000 0.760 550 P CB 0.556 31.682 31.700 -0.958 0.000 0.773 551 C N 2.749 122.014 119.300 -0.057 0.000 4.417 551 C HA -0.161 4.299 4.460 0.000 0.000 0.284 551 C C 1.048 176.085 174.990 0.078 0.000 1.379 551 C CA 1.121 60.056 59.018 -0.137 0.000 1.918 551 C CB -2.679 24.800 27.740 -0.435 0.000 1.280 551 C HN 0.788 nan 8.230 nan 0.000 0.783 552 S N -0.046 115.763 115.700 0.182 0.000 2.645 552 S HA 0.556 5.026 4.470 0.000 0.000 0.266 552 S C -0.547 174.223 174.600 0.282 0.000 1.258 552 S CA 0.225 58.606 58.200 0.303 0.000 0.990 552 S CB 1.562 65.009 63.200 0.412 0.000 0.967 552 S HN 0.839 nan 8.310 nan 0.000 0.556 553 Q N -0.062 119.913 119.800 0.292 0.000 2.483 553 Q HA 0.322 4.662 4.340 0.000 0.000 0.245 553 Q C -0.762 175.346 176.000 0.181 0.000 0.902 553 Q CA -0.556 55.403 55.803 0.259 0.000 0.767 553 Q CB 0.886 29.820 28.738 0.328 0.000 1.341 553 Q HN 0.678 nan 8.270 nan 0.000 0.453 554 K N 0.950 121.457 120.400 0.178 0.000 2.358 554 K HA 0.323 4.643 4.320 0.000 0.000 0.197 554 K C -0.352 176.339 176.600 0.152 0.000 1.025 554 K CA 0.287 56.669 56.287 0.157 0.000 1.104 554 K CB 1.436 34.055 32.500 0.197 0.000 0.855 554 K HN 0.472 nan 8.250 nan 0.000 0.531 555 A N 2.647 125.563 122.820 0.160 0.000 2.508 555 A HA 0.382 4.702 4.320 0.000 0.000 0.336 555 A C -0.762 176.881 177.584 0.098 0.000 1.360 555 A CA -0.632 51.503 52.037 0.163 0.000 0.841 555 A CB 0.038 19.194 19.000 0.259 0.000 1.136 555 A HN 0.220 nan 8.150 nan 0.000 0.489 556 D N -0.204 120.233 120.400 0.062 0.000 2.781 556 D HA 0.513 5.153 4.640 0.000 0.000 0.295 556 D C 0.443 176.761 176.300 0.030 0.000 1.143 556 D CA 0.254 54.285 54.000 0.052 0.000 1.076 556 D CB 0.471 41.320 40.800 0.082 0.000 1.444 556 D HN 0.116 nan 8.370 nan 0.000 0.567 557 T N -2.192 112.405 114.554 0.072 0.000 3.243 557 T HA 0.377 4.727 4.350 0.000 0.000 0.264 557 T C 0.197 174.864 174.700 -0.054 0.000 1.000 557 T CA -0.496 61.629 62.100 0.043 0.000 0.901 557 T CB -0.830 68.101 68.868 0.104 0.000 1.083 557 T HN 0.248 nan 8.240 nan 0.000 0.559 558 V N 2.141 121.919 119.914 -0.227 0.000 2.775 558 V HA 0.378 4.498 4.120 0.000 0.000 0.299 558 V C 0.065 176.100 176.094 -0.098 0.000 1.062 558 V CA -0.947 61.175 62.300 -0.298 0.000 1.063 558 V CB 0.485 32.029 31.823 -0.465 0.000 0.994 558 V HN 0.593 nan 8.190 nan 0.000 0.483 559 F N 5.470 125.316 119.950 -0.173 0.000 2.411 559 F HA 0.567 5.094 4.527 0.000 0.000 0.355 559 F C 0.441 176.177 175.800 -0.107 0.000 1.117 559 F CA -0.266 57.660 58.000 -0.124 0.000 1.139 559 F CB 0.311 39.246 39.000 -0.107 0.000 1.120 559 F HN 0.400 nan 8.300 nan 0.000 0.493 560 R N 6.917 126.962 120.500 -0.759 0.000 2.628 560 R HA 0.508 4.848 4.340 0.000 0.000 0.288 560 R C -1.575 174.340 176.300 -0.641 0.000 0.980 560 R CA -1.035 54.766 56.100 -0.499 0.000 0.891 560 R CB 2.159 32.304 30.300 -0.258 0.000 1.188 560 R HN 0.669 nan 8.270 nan 0.000 0.450 561 L N 4.397 125.409 121.223 -0.352 0.000 2.283 561 L HA 0.374 4.714 4.340 0.000 0.000 0.281 561 L C -0.603 176.220 176.870 -0.079 0.000 1.033 561 L CA -0.588 54.096 54.840 -0.261 0.000 0.848 561 L CB 0.424 42.454 42.059 -0.048 0.000 1.226 561 L HN 0.766 nan 8.230 nan 0.000 0.429 562 N N 0.098 118.670 118.700 -0.213 0.000 3.316 562 N HA 0.162 4.902 4.740 0.000 0.000 0.300 562 N C 0.181 175.324 175.510 -0.611 0.000 1.567 562 N CA -0.925 51.873 53.050 -0.420 0.000 0.821 562 N CB 0.181 38.585 38.487 -0.138 0.000 1.748 562 N HN 0.253 nan 8.380 nan 0.000 0.603 563 W N 0.612 121.288 121.300 -1.039 0.000 2.305 563 W HA -0.059 4.601 4.660 0.000 0.000 0.308 563 W C 2.041 178.518 176.519 -0.071 0.000 1.226 563 W CA 3.159 60.195 57.345 -0.514 0.000 1.253 563 W CB -1.041 28.302 29.460 -0.194 0.000 1.146 563 W HN 0.731 nan 8.180 nan 0.000 0.507 564 A N -0.785 122.024 122.820 -0.019 0.000 1.933 564 A HA -0.197 4.123 4.320 0.000 0.000 0.218 564 A C 1.956 179.442 177.584 -0.164 0.000 1.175 564 A CA 2.477 54.441 52.037 -0.121 0.000 0.628 564 A CB -1.281 17.728 19.000 0.015 0.000 0.814 564 A HN 0.306 nan 8.150 nan 0.000 0.444 565 T N -1.005 113.463 114.554 -0.144 0.000 2.652 565 T HA -0.251 4.099 4.350 0.000 0.000 0.267 565 T C 1.806 176.526 174.700 0.033 0.000 1.039 565 T CA 1.841 63.844 62.100 -0.162 0.000 1.153 565 T CB -0.590 68.052 68.868 -0.376 0.000 0.863 565 T HN 0.670 nan 8.240 nan 0.000 0.428 566 Y N 2.113 122.488 120.300 0.125 0.000 2.128 566 Y HA -0.128 4.422 4.550 0.000 0.000 0.284 566 Y C 2.036 177.902 175.900 -0.057 0.000 1.154 566 Y CA 1.120 59.300 58.100 0.133 0.000 1.149 566 Y CB -0.780 37.736 38.460 0.095 0.000 0.976 566 Y HN 0.127 nan 8.280 nan 0.000 0.505 567 L N 0.147 120.971 121.223 -0.666 0.000 2.042 567 L HA -0.238 4.102 4.340 0.000 0.000 0.210 567 L C 2.858 179.469 176.870 -0.431 0.000 1.076 567 L CA 1.304 55.688 54.840 -0.761 0.000 0.749 567 L CB -1.037 40.629 42.059 -0.655 0.000 0.893 567 L HN 0.435 nan 8.230 nan 0.000 0.432 568 A N -0.846 121.801 122.820 -0.288 0.000 1.841 568 A HA -0.229 4.091 4.320 0.000 0.000 0.214 568 A C 2.538 180.029 177.584 -0.156 0.000 1.195 568 A CA 1.989 53.909 52.037 -0.195 0.000 0.611 568 A CB -0.864 18.024 19.000 -0.187 0.000 0.835 568 A HN 0.380 nan 8.150 nan 0.000 0.443 569 S N -1.223 114.399 115.700 -0.131 0.000 2.348 569 S HA -0.140 4.330 4.470 0.000 0.000 0.221 569 S C 1.922 176.494 174.600 -0.046 0.000 1.033 569 S CA 2.382 60.548 58.200 -0.055 0.000 1.010 569 S CB -0.527 62.702 63.200 0.048 0.000 0.891 569 S HN 0.551 nan 8.310 nan 0.000 0.442 570 T N 0.882 115.370 114.554 -0.111 0.000 3.040 570 T HA 0.227 4.577 4.350 0.000 0.000 0.252 570 T C 1.184 175.814 174.700 -0.117 0.000 1.064 570 T CA 0.468 62.526 62.100 -0.070 0.000 1.110 570 T CB 0.030 68.919 68.868 0.034 0.000 0.921 570 T HN 0.354 nan 8.240 nan 0.000 0.480 571 E N 1.131 121.186 120.200 -0.242 0.000 2.526 571 E HA 0.182 4.532 4.350 0.000 0.000 0.208 571 E C -0.233 176.337 176.600 -0.051 0.000 0.997 571 E CA -0.113 56.196 56.400 -0.150 0.000 0.961 571 E CB -0.138 29.419 29.700 -0.238 0.000 1.030 571 E HN 0.524 nan 8.360 nan 0.000 0.483 572 N N 1.123 119.803 118.700 -0.033 0.000 2.688 572 N HA -0.196 4.544 4.740 0.000 0.000 0.258 572 N C -0.886 174.688 175.510 0.106 0.000 1.016 572 N CA 0.378 53.478 53.050 0.084 0.000 0.747 572 N CB -1.275 37.318 38.487 0.177 0.000 0.895 572 N HN 0.229 nan 8.380 nan 0.000 0.543 573 I N 0.683 121.253 120.570 -0.001 0.000 2.433 573 I HA 0.389 4.559 4.170 0.000 0.000 0.292 573 I C 0.470 176.557 176.117 -0.050 0.000 1.001 573 I CA -0.999 60.309 61.300 0.014 0.000 1.119 573 I CB 1.544 39.569 38.000 0.041 0.000 1.289 573 I HN 0.067 nan 8.210 nan 0.000 0.438 574 I N 6.219 126.763 120.570 -0.044 0.000 2.416 574 I HA 0.137 4.307 4.170 0.000 0.000 0.288 574 I C -0.294 175.797 176.117 -0.042 0.000 1.051 574 I CA -0.391 60.835 61.300 -0.122 0.000 1.375 574 I CB 0.916 38.828 38.000 -0.147 0.000 1.407 574 I HN 0.203 nan 8.210 nan 0.000 0.516 575 V N 6.769 126.648 119.914 -0.058 0.000 2.333 575 V HA 0.597 4.717 4.120 0.000 0.000 0.274 575 V C 0.386 176.503 176.094 0.038 0.000 1.028 575 V CA -0.453 61.867 62.300 0.034 0.000 0.851 575 V CB 1.001 32.841 31.823 0.028 0.000 1.000 575 V HN 0.829 nan 8.190 nan 0.000 0.456 576 A N 4.051 126.926 122.820 0.092 0.000 2.350 576 A HA 0.906 5.226 4.320 0.000 0.000 0.324 576 A C -0.116 177.614 177.584 0.244 0.000 1.118 576 A CA -0.457 51.628 52.037 0.080 0.000 0.783 576 A CB 1.578 20.492 19.000 -0.144 0.000 1.236 576 A HN 0.679 nan 8.150 nan 0.000 0.457 577 S N 0.154 116.033 115.700 0.298 0.000 2.568 577 S HA 0.793 5.263 4.470 0.000 0.000 0.293 577 S C -1.377 173.556 174.600 0.556 0.000 1.089 577 S CA -0.317 58.110 58.200 0.378 0.000 0.945 577 S CB 1.349 64.714 63.200 0.275 0.000 1.077 577 S HN 0.763 nan 8.310 nan 0.000 0.485 578 F N 1.826 122.002 119.950 0.377 0.000 2.562 578 F HA 0.410 4.937 4.527 0.000 0.000 0.319 578 F C -1.546 174.455 175.800 0.335 0.000 1.154 578 F CA -0.761 57.488 58.000 0.415 0.000 0.931 578 F CB 1.297 40.533 39.000 0.393 0.000 1.198 578 F HN 0.377 nan 8.300 nan 0.000 0.444 579 D N 4.863 125.069 120.400 -0.325 0.000 2.411 579 D HA 0.375 5.015 4.640 0.000 0.000 0.225 579 D C 0.418 176.416 176.300 -0.502 0.000 1.156 579 D CA 0.271 54.144 54.000 -0.213 0.000 0.874 579 D CB 1.465 42.291 40.800 0.044 0.000 1.034 579 D HN 0.762 nan 8.370 nan 0.000 0.502 580 G N 1.564 110.212 108.800 -0.254 0.000 2.782 580 G HA2 0.302 4.262 3.960 0.000 0.000 0.201 580 G HA3 0.302 4.262 3.960 0.000 0.000 0.201 580 G C 0.077 175.033 174.900 0.093 0.000 1.374 580 G CA -0.737 44.293 45.100 -0.116 0.000 1.039 580 G HN 0.297 nan 8.290 nan 0.000 0.576 581 R N -0.660 119.877 120.500 0.062 0.000 2.570 581 R HA 0.381 4.721 4.340 0.000 0.000 0.277 581 R C 1.198 177.592 176.300 0.157 0.000 1.039 581 R CA 1.494 57.690 56.100 0.161 0.000 1.065 581 R CB 0.552 30.916 30.300 0.107 0.000 0.964 581 R HN 1.043 nan 8.270 nan 0.000 0.428 582 G N 1.189 110.073 108.800 0.139 0.000 2.254 582 G HA2 -0.313 3.647 3.960 0.000 0.000 0.225 582 G HA3 -0.313 3.647 3.960 0.000 0.000 0.225 582 G C 0.118 175.052 174.900 0.057 0.000 1.003 582 G CA 0.111 45.277 45.100 0.110 0.000 0.622 582 G HN 0.699 nan 8.290 nan 0.000 0.507 583 S N 0.375 116.116 115.700 0.069 0.000 2.608 583 S HA 0.669 5.139 4.470 0.000 0.000 0.261 583 S C 0.892 175.467 174.600 -0.043 0.000 1.314 583 S CA 0.357 58.587 58.200 0.049 0.000 0.992 583 S CB 1.710 64.972 63.200 0.104 0.000 0.935 583 S HN 1.624 nan 8.310 nan 0.000 0.564 584 G N -1.285 107.443 108.800 -0.120 0.000 2.613 584 G HA2 0.497 4.457 3.960 0.000 0.000 0.303 584 G HA3 0.497 4.457 3.960 0.000 0.000 0.303 584 G C -0.896 173.810 174.900 -0.322 0.000 1.312 584 G CA -0.965 43.852 45.100 -0.472 0.000 1.036 584 G HN 0.927 nan 8.290 nan 0.000 0.513 585 Y N -2.556 117.719 120.300 -0.041 0.000 4.907 585 Y HA -0.219 4.331 4.550 0.000 0.000 0.246 585 Y C 1.461 177.349 175.900 -0.021 0.000 0.968 585 Y CA 1.112 59.197 58.100 -0.026 0.000 1.961 585 Y CB -2.038 36.421 38.460 -0.001 0.000 1.487 585 Y HN 0.528 nan 8.280 nan 0.000 0.575 586 Q N 0.255 120.045 119.800 -0.017 0.000 2.110 586 Q HA 0.504 4.844 4.340 0.000 0.000 0.232 586 Q C 1.014 176.863 176.000 -0.252 0.000 0.810 586 Q CA 0.200 55.998 55.803 -0.007 0.000 1.083 586 Q CB 1.430 30.173 28.738 0.009 0.000 1.193 586 Q HN 0.556 nan 8.270 nan 0.000 0.471 587 G N 1.010 109.542 108.800 -0.448 0.000 2.787 587 G HA2 -0.229 3.731 3.960 0.000 0.000 0.685 587 G HA3 -0.229 3.731 3.960 0.000 0.000 0.685 587 G C -0.277 174.250 174.900 -0.621 0.000 1.437 587 G CA -0.404 44.202 45.100 -0.823 0.000 0.872 587 G HN 0.211 nan 8.290 nan 0.000 0.566 588 D N 0.507 120.503 120.400 -0.673 0.000 2.218 588 D HA -0.102 4.538 4.640 0.000 0.000 0.204 588 D C 2.484 178.508 176.300 -0.459 0.000 0.976 588 D CA 1.528 55.090 54.000 -0.730 0.000 0.853 588 D CB 0.014 40.351 40.800 -0.771 0.000 0.939 588 D HN 0.743 nan 8.370 nan 0.000 0.481 589 K N 0.809 121.003 120.400 -0.343 0.000 2.147 589 K HA -0.105 4.215 4.320 0.000 0.000 0.205 589 K C 2.020 178.541 176.600 -0.131 0.000 1.049 589 K CA 0.910 57.084 56.287 -0.190 0.000 0.936 589 K CB -0.276 32.133 32.500 -0.153 0.000 0.722 589 K HN 0.215 nan 8.250 nan 0.000 0.446 590 I N 0.708 121.184 120.570 -0.156 0.000 2.339 590 I HA -0.115 4.055 4.170 0.000 0.000 0.245 590 I C 2.830 178.919 176.117 -0.046 0.000 1.096 590 I CA 0.601 61.875 61.300 -0.043 0.000 1.408 590 I CB -0.122 37.867 38.000 -0.018 0.000 1.092 590 I HN 0.138 nan 8.210 nan 0.000 0.423 591 M N 0.448 119.942 119.600 -0.177 0.000 2.059 591 M HA -0.240 4.240 4.480 0.000 0.000 0.259 591 M C 2.046 178.352 176.300 0.010 0.000 1.072 591 M CA 2.046 57.260 55.300 -0.144 0.000 1.117 591 M CB -0.393 32.006 32.600 -0.334 0.000 1.320 591 M HN 0.244 nan 8.290 nan 0.000 0.408 592 H N -0.521 118.442 119.070 -0.179 0.000 2.563 592 H HA 0.085 4.641 4.556 0.000 0.000 0.272 592 H C 1.723 177.073 175.328 0.036 0.000 1.005 592 H CA 0.095 56.056 56.048 -0.144 0.000 1.171 592 H CB -0.054 29.533 29.762 -0.293 0.000 1.351 592 H HN 0.527 nan 8.280 nan 0.000 0.602 593 A N 1.388 124.302 122.820 0.157 0.000 2.125 593 A HA -0.105 4.215 4.320 0.000 0.000 0.219 593 A C 1.956 179.727 177.584 0.312 0.000 1.156 593 A CA 0.986 53.116 52.037 0.156 0.000 0.671 593 A CB -0.627 18.411 19.000 0.063 0.000 0.794 593 A HN 0.608 nan 8.150 nan 0.000 0.459 594 I N -3.773 116.984 120.570 0.311 0.000 3.974 594 I HA 0.208 4.378 4.170 0.000 0.000 0.334 594 I C 0.328 176.586 176.117 0.236 0.000 1.437 594 I CA -0.594 60.884 61.300 0.296 0.000 1.113 594 I CB -0.385 37.759 38.000 0.239 0.000 1.063 594 I HN 0.162 nan 8.210 nan 0.000 0.400 595 N N 2.937 121.806 118.700 0.282 0.000 2.412 595 N HA -0.048 4.692 4.740 0.000 0.000 0.254 595 N C 0.294 175.883 175.510 0.132 0.000 1.232 595 N CA 0.319 53.536 53.050 0.279 0.000 0.880 595 N CB 0.395 39.012 38.487 0.216 0.000 1.076 595 N HN 0.375 nan 8.380 nan 0.000 0.458 596 R N 0.307 120.867 120.500 0.100 0.000 4.018 596 R HA -0.233 4.107 4.340 0.000 0.000 0.353 596 R C 0.058 176.334 176.300 -0.040 0.000 1.214 596 R CA 1.175 57.296 56.100 0.035 0.000 1.059 596 R CB -0.965 29.356 30.300 0.035 0.000 1.512 596 R HN 0.591 nan 8.270 nan 0.000 0.566 597 R N 0.579 121.046 120.500 -0.055 0.000 2.688 597 R HA 0.234 4.574 4.340 0.000 0.000 0.396 597 R C -0.896 175.436 176.300 0.055 0.000 1.081 597 R CA -0.418 55.518 56.100 -0.273 0.000 1.093 597 R CB 0.461 30.582 30.300 -0.299 0.000 1.338 597 R HN -0.085 nan 8.270 nan 0.000 0.613 598 L N -0.078 121.274 121.223 0.216 0.000 2.483 598 L HA 0.258 4.598 4.340 0.000 0.000 0.276 598 L C 1.509 178.644 176.870 0.442 0.000 1.213 598 L CA 1.817 56.805 54.840 0.247 0.000 0.843 598 L CB 0.803 42.836 42.059 -0.044 0.000 1.107 598 L HN 0.646 nan 8.230 nan 0.000 0.487 599 G N 0.859 109.929 108.800 0.450 0.000 2.143 599 G HA2 -0.317 3.643 3.960 0.000 0.000 0.249 599 G HA3 -0.317 3.643 3.960 0.000 0.000 0.249 599 G C 0.566 175.554 174.900 0.146 0.000 0.981 599 G CA 1.045 46.353 45.100 0.347 0.000 0.665 599 G HN 0.921 nan 8.290 nan 0.000 0.528 600 T N -3.348 111.261 114.554 0.092 0.000 3.066 600 T HA 0.482 4.832 4.350 0.000 0.000 0.176 600 T C 1.644 176.325 174.700 -0.032 0.000 0.826 600 T CA 0.877 62.923 62.100 -0.090 0.000 1.280 600 T CB -0.135 68.513 68.868 -0.366 0.000 2.214 600 T HN 0.176 nan 8.240 nan 0.000 0.399 601 F N 3.577 123.574 119.950 0.079 0.000 2.147 601 F HA -0.065 4.462 4.527 0.000 0.000 0.301 601 F C 2.792 178.634 175.800 0.070 0.000 1.084 601 F CA 1.604 59.639 58.000 0.059 0.000 1.268 601 F CB -0.741 38.293 39.000 0.056 0.000 1.009 601 F HN 0.558 nan 8.300 nan 0.000 0.486 602 E N 1.248 121.613 120.200 0.275 0.000 2.204 602 E HA -0.143 4.207 4.350 0.000 0.000 0.194 602 E C 2.188 178.898 176.600 0.184 0.000 0.989 602 E CA 1.727 58.264 56.400 0.228 0.000 0.824 602 E CB -1.181 28.665 29.700 0.243 0.000 0.756 602 E HN 0.390 nan 8.360 nan 0.000 0.477 603 V N -0.501 119.492 119.914 0.131 0.000 2.446 603 V HA -0.068 4.053 4.120 0.000 0.000 0.244 603 V C 1.966 178.091 176.094 0.053 0.000 1.039 603 V CA 1.584 63.915 62.300 0.053 0.000 1.045 603 V CB -0.402 31.395 31.823 -0.044 0.000 0.681 603 V HN -0.021 nan 8.190 nan 0.000 0.459 604 E N 0.909 121.153 120.200 0.073 0.000 2.077 604 E HA -0.165 4.185 4.350 0.000 0.000 0.193 604 E C 1.919 178.545 176.600 0.044 0.000 0.989 604 E CA 1.752 58.190 56.400 0.064 0.000 0.800 604 E CB -0.310 29.449 29.700 0.098 0.000 0.746 604 E HN 0.660 nan 8.360 nan 0.000 0.452 605 D N -0.214 120.230 120.400 0.074 0.000 2.218 605 D HA -0.145 4.495 4.640 0.000 0.000 0.204 605 D C 1.819 178.116 176.300 -0.006 0.000 0.976 605 D CA 0.766 54.781 54.000 0.024 0.000 0.853 605 D CB -0.055 40.802 40.800 0.095 0.000 0.939 605 D HN 0.056 nan 8.370 nan 0.000 0.481 606 Q N 0.224 120.079 119.800 0.091 0.000 2.049 606 Q HA 0.020 4.360 4.340 0.000 0.000 0.198 606 Q C 2.174 178.198 176.000 0.040 0.000 0.971 606 Q CA 0.827 56.697 55.803 0.112 0.000 0.833 606 Q CB -0.187 28.646 28.738 0.160 0.000 0.896 606 Q HN 0.294 nan 8.270 nan 0.000 0.434 607 I N 0.529 121.147 120.570 0.079 0.000 2.194 607 I HA -0.275 3.895 4.170 0.000 0.000 0.246 607 I C 2.218 178.297 176.117 -0.064 0.000 1.093 607 I CA 1.167 62.548 61.300 0.136 0.000 1.355 607 I CB -0.383 37.685 38.000 0.112 0.000 1.046 607 I HN 0.250 nan 8.210 nan 0.000 0.413 608 E N 1.334 121.441 120.200 -0.155 0.000 2.038 608 E HA -0.219 4.131 4.350 0.000 0.000 0.195 608 E C 2.282 178.590 176.600 -0.486 0.000 1.000 608 E CA 1.787 58.027 56.400 -0.267 0.000 0.803 608 E CB -0.395 29.156 29.700 -0.249 0.000 0.750 608 E HN 0.444 nan 8.360 nan 0.000 0.448 609 A N 1.089 123.462 122.820 -0.744 0.000 1.917 609 A HA -0.212 4.108 4.320 0.000 0.000 0.219 609 A C 2.443 179.306 177.584 -1.203 0.000 1.182 609 A CA 2.792 54.080 52.037 -1.248 0.000 0.633 609 A CB -0.919 17.120 19.000 -1.602 0.000 0.819 609 A HN 0.336 nan 8.150 nan 0.000 0.448 610 A N -0.210 122.279 122.820 -0.551 0.000 1.865 610 A HA -0.226 4.094 4.320 0.000 0.000 0.217 610 A C 2.240 179.592 177.584 -0.386 0.000 1.191 610 A CA 1.712 53.553 52.037 -0.327 0.000 0.623 610 A CB -0.587 18.261 19.000 -0.252 0.000 0.826 610 A HN 0.575 nan 8.150 nan 0.000 0.444 611 R N -0.811 119.473 120.500 -0.360 0.000 2.096 611 R HA -0.182 4.158 4.340 0.000 0.000 0.240 611 R C 2.413 178.528 176.300 -0.308 0.000 1.139 611 R CA 1.590 57.519 56.100 -0.285 0.000 0.952 611 R CB -0.458 29.704 30.300 -0.229 0.000 0.854 611 R HN 0.600 nan 8.270 nan 0.000 0.436 612 Q N -0.108 119.424 119.800 -0.447 0.000 2.135 612 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 612 Q C 2.064 177.866 176.000 -0.330 0.000 0.981 612 Q CA 1.487 57.033 55.803 -0.428 0.000 0.856 612 Q CB -0.262 28.126 28.738 -0.584 0.000 0.902 612 Q HN 0.323 nan 8.270 nan 0.000 0.425 613 F N 0.931 120.708 119.950 -0.287 0.000 2.186 613 F HA -0.076 4.450 4.527 0.000 0.000 0.299 613 F C 2.566 178.171 175.800 -0.326 0.000 1.090 613 F CA 0.626 58.440 58.000 -0.311 0.000 1.307 613 F CB -1.003 37.855 39.000 -0.235 0.000 1.019 613 F HN -0.063 nan 8.300 nan 0.000 0.489 614 S N 0.296 115.931 115.700 -0.108 0.000 2.353 614 S HA -0.196 4.274 4.470 0.000 0.000 0.222 614 S C 2.104 176.603 174.600 -0.168 0.000 1.035 614 S CA 1.133 59.245 58.200 -0.145 0.000 1.025 614 S CB -0.275 62.840 63.200 -0.142 0.000 0.902 614 S HN 0.198 nan 8.310 nan 0.000 0.440 615 K N 1.349 121.653 120.400 -0.159 0.000 2.107 615 K HA -0.096 4.224 4.320 0.000 0.000 0.211 615 K C 1.931 178.434 176.600 -0.161 0.000 1.049 615 K CA 1.406 57.609 56.287 -0.139 0.000 0.927 615 K CB -0.711 31.712 32.500 -0.127 0.000 0.714 615 K HN 0.471 nan 8.250 nan 0.000 0.452 616 M N -1.071 118.386 119.600 -0.238 0.000 2.346 616 M HA -0.140 4.340 4.480 0.000 0.000 0.263 616 M C 1.585 177.638 176.300 -0.412 0.000 1.064 616 M CA 1.564 56.660 55.300 -0.340 0.000 1.083 616 M CB -0.331 31.955 32.600 -0.524 0.000 1.399 616 M HN 0.505 nan 8.290 nan 0.000 0.435 617 G N 0.594 109.176 108.800 -0.362 0.000 2.317 617 G HA2 -0.302 3.658 3.960 0.000 0.000 0.227 617 G HA3 -0.302 3.658 3.960 0.000 0.000 0.227 617 G C 0.521 175.371 174.900 -0.084 0.000 1.042 617 G CA 0.245 45.248 45.100 -0.161 0.000 0.623 617 G HN 0.576 nan 8.290 nan 0.000 0.509 618 F N 1.412 121.430 119.950 0.114 0.000 2.693 618 F HA 0.743 5.270 4.527 0.000 0.000 0.303 618 F C 0.326 176.260 175.800 0.222 0.000 1.143 618 F CA -1.003 57.113 58.000 0.194 0.000 1.389 618 F CB -0.077 39.112 39.000 0.314 0.000 1.060 618 F HN 0.101 nan 8.300 nan 0.000 0.535 619 V N 1.163 121.089 119.914 0.019 0.000 2.459 619 V HA 0.165 4.285 4.120 0.000 0.000 0.295 619 V C -0.458 175.633 176.094 -0.005 0.000 1.029 619 V CA -0.971 61.353 62.300 0.040 0.000 0.874 619 V CB 1.634 33.418 31.823 -0.066 0.000 0.985 619 V HN 0.076 nan 8.190 nan 0.000 0.438 620 D N 3.869 124.259 120.400 -0.016 0.000 2.342 620 D HA 0.042 4.682 4.640 0.000 0.000 0.260 620 D C 1.245 177.499 176.300 -0.078 0.000 1.278 620 D CA 0.596 54.557 54.000 -0.065 0.000 0.910 620 D CB 0.278 41.012 40.800 -0.110 0.000 1.079 620 D HN 0.606 nan 8.370 nan 0.000 0.496 621 N N 2.762 121.420 118.700 -0.071 0.000 2.073 621 N HA -0.265 4.475 4.740 0.000 0.000 0.199 621 N C 0.547 176.016 175.510 -0.067 0.000 1.023 621 N CA 1.444 54.448 53.050 -0.077 0.000 0.880 621 N CB 0.157 38.603 38.487 -0.067 0.000 1.052 621 N HN 0.363 nan 8.380 nan 0.000 0.449 622 K N 0.485 120.855 120.400 -0.049 0.000 2.476 622 K HA 0.170 4.490 4.320 0.000 0.000 0.196 622 K C 0.077 176.681 176.600 0.006 0.000 1.025 622 K CA 0.338 56.613 56.287 -0.020 0.000 1.138 622 K CB 0.511 33.004 32.500 -0.012 0.000 0.860 622 K HN 0.081 nan 8.250 nan 0.000 0.515 623 R N 1.143 121.624 120.500 -0.031 0.000 2.674 623 R HA 0.324 4.664 4.340 0.000 0.000 0.270 623 R C -0.946 175.344 176.300 -0.015 0.000 1.492 623 R CA -0.152 55.930 56.100 -0.029 0.000 1.624 623 R CB 0.444 30.566 30.300 -0.296 0.000 1.307 623 R HN 0.110 nan 8.270 nan 0.000 0.683 624 I N 1.154 121.796 120.570 0.120 0.000 2.354 624 I HA 0.504 4.674 4.170 0.000 0.000 0.292 624 I C 0.233 176.620 176.117 0.449 0.000 0.989 624 I CA -0.664 60.742 61.300 0.177 0.000 1.188 624 I CB 1.788 39.716 38.000 -0.121 0.000 1.342 624 I HN 0.222 nan 8.210 nan 0.000 0.457 625 A N 7.284 130.479 122.820 0.625 0.000 2.350 625 A HA 0.903 5.223 4.320 0.000 0.000 0.318 625 A C -0.967 176.993 177.584 0.626 0.000 1.132 625 A CA -0.640 51.752 52.037 0.592 0.000 0.811 625 A CB 1.868 21.094 19.000 0.377 0.000 1.313 625 A HN 0.742 nan 8.150 nan 0.000 0.454 626 I N 0.869 121.722 120.570 0.471 0.000 2.722 626 I HA 0.706 4.876 4.170 0.000 0.000 0.295 626 I C -1.877 174.498 176.117 0.430 0.000 1.161 626 I CA -0.578 60.930 61.300 0.346 0.000 1.032 626 I CB 1.620 39.557 38.000 -0.104 0.000 1.244 626 I HN 0.924 nan 8.210 nan 0.000 0.421 627 W N 7.112 128.548 121.300 0.227 0.000 3.213 627 W HA 0.830 5.490 4.660 0.000 0.000 0.318 627 W C -1.445 175.231 176.519 0.262 0.000 1.248 627 W CA -0.911 56.577 57.345 0.238 0.000 1.187 627 W CB 1.019 30.671 29.460 0.319 0.000 1.403 627 W HN 0.837 nan 8.180 nan 0.000 0.556 628 G N 0.950 109.673 108.800 -0.128 0.000 2.523 628 G HA2 0.480 4.440 3.960 0.000 0.000 0.291 628 G HA3 0.480 4.440 3.960 0.000 0.000 0.291 628 G C -2.888 172.009 174.900 -0.006 0.000 1.450 628 G CA -0.718 44.170 45.100 -0.353 0.000 0.790 628 G HN 0.664 nan 8.290 nan 0.000 0.496 629 W N 0.865 122.092 121.300 -0.123 0.000 2.915 629 W HA 0.600 5.260 4.660 0.000 0.000 0.337 629 W C 0.704 177.296 176.519 0.123 0.000 1.102 629 W CA 0.339 57.688 57.345 0.007 0.000 1.224 629 W CB 1.592 31.058 29.460 0.010 0.000 1.416 629 W HN 1.286 nan 8.180 nan 0.000 0.503 630 S N 1.981 118.002 115.700 0.535 0.000 4.059 630 S HA -0.431 4.039 4.470 0.000 0.000 0.624 630 S C 0.832 175.513 174.600 0.135 0.000 2.019 630 S CA 1.518 59.954 58.200 0.394 0.000 4.197 630 S CB -1.567 61.971 63.200 0.564 0.000 0.215 630 S HN 0.774 nan 8.310 nan 0.000 0.609 631 Y N 3.022 123.265 120.300 -0.095 0.000 2.139 631 Y HA -0.161 4.389 4.550 0.000 0.000 0.282 631 Y C 2.504 178.323 175.900 -0.135 0.000 1.179 631 Y CA 2.550 60.536 58.100 -0.190 0.000 1.161 631 Y CB -1.110 37.056 38.460 -0.489 0.000 0.970 631 Y HN 0.611 nan 8.280 nan 0.000 0.511 632 G N -1.039 107.772 108.800 0.017 0.000 2.469 632 G HA2 -0.297 3.663 3.960 0.000 0.000 0.220 632 G HA3 -0.297 3.663 3.960 0.000 0.000 0.220 632 G C 1.912 176.851 174.900 0.066 0.000 1.136 632 G CA 0.941 46.088 45.100 0.079 0.000 0.759 632 G HN 0.613 nan 8.290 nan 0.000 0.562 633 G N -0.411 108.437 108.800 0.081 0.000 2.394 633 G HA2 -0.178 3.782 3.960 0.000 0.000 0.215 633 G HA3 -0.178 3.782 3.960 0.000 0.000 0.215 633 G C 1.602 176.523 174.900 0.035 0.000 1.165 633 G CA 1.047 46.178 45.100 0.052 0.000 0.784 633 G HN 0.423 nan 8.290 nan 0.000 0.535 634 Y N 1.549 121.750 120.300 -0.166 0.000 2.097 634 Y HA -0.157 4.393 4.550 0.000 0.000 0.282 634 Y C 2.771 178.563 175.900 -0.180 0.000 1.152 634 Y CA 1.704 59.645 58.100 -0.265 0.000 1.136 634 Y CB -0.574 37.568 38.460 -0.530 0.000 0.975 634 Y HN 0.028 nan 8.280 nan 0.000 0.498 635 V N -0.090 119.678 119.914 -0.244 0.000 2.255 635 V HA -0.360 3.760 4.120 0.000 0.000 0.247 635 V C 2.333 178.304 176.094 -0.205 0.000 1.051 635 V CA 2.519 64.669 62.300 -0.249 0.000 1.018 635 V CB -1.355 30.478 31.823 0.016 0.000 0.641 635 V HN 0.513 nan 8.190 nan 0.000 0.445 636 T N 0.028 114.522 114.554 -0.100 0.000 2.653 636 T HA -0.252 4.098 4.350 0.000 0.000 0.268 636 T C 2.117 176.748 174.700 -0.115 0.000 1.035 636 T CA 2.165 64.216 62.100 -0.081 0.000 1.154 636 T CB -0.357 68.543 68.868 0.053 0.000 0.862 636 T HN 0.523 nan 8.240 nan 0.000 0.441 637 S N 0.907 116.568 115.700 -0.064 0.000 2.355 637 S HA -0.026 4.444 4.470 0.000 0.000 0.222 637 S C 2.180 176.684 174.600 -0.159 0.000 1.031 637 S CA 0.974 59.159 58.200 -0.026 0.000 0.993 637 S CB -0.319 62.916 63.200 0.059 0.000 0.859 637 S HN 0.304 nan 8.310 nan 0.000 0.453 638 M N 1.073 120.488 119.600 -0.308 0.000 2.108 638 M HA -0.079 4.401 4.480 0.000 0.000 0.261 638 M C 2.238 178.367 176.300 -0.285 0.000 1.066 638 M CA 1.204 56.302 55.300 -0.338 0.000 1.107 638 M CB -1.552 30.733 32.600 -0.525 0.000 1.356 638 M HN 0.178 nan 8.290 nan 0.000 0.406 639 V N 0.676 120.411 119.914 -0.297 0.000 2.237 639 V HA -0.265 3.855 4.120 0.000 0.000 0.245 639 V C 2.559 178.433 176.094 -0.367 0.000 1.046 639 V CA 1.578 63.694 62.300 -0.307 0.000 1.007 639 V CB -0.721 30.854 31.823 -0.413 0.000 0.638 639 V HN 0.417 nan 8.190 nan 0.000 0.445 640 L N 0.456 121.401 121.223 -0.463 0.000 2.187 640 L HA -0.118 4.222 4.340 0.000 0.000 0.213 640 L C 2.330 178.656 176.870 -0.907 0.000 1.100 640 L CA 1.548 56.022 54.840 -0.611 0.000 0.765 640 L CB -0.849 40.814 42.059 -0.660 0.000 0.904 640 L HN 0.510 nan 8.230 nan 0.000 0.437 641 G N -1.286 107.019 108.800 -0.825 0.000 2.985 641 G HA2 -0.110 3.850 3.960 0.000 0.000 0.209 641 G HA3 -0.110 3.850 3.960 0.000 0.000 0.209 641 G C 1.571 176.298 174.900 -0.288 0.000 1.165 641 G CA 0.640 45.347 45.100 -0.655 0.000 0.776 641 G HN 0.468 nan 8.290 nan 0.000 0.541 642 S N -0.309 115.247 115.700 -0.240 0.000 2.558 642 S HA 0.311 4.781 4.470 0.000 0.000 0.217 642 S C 1.706 176.251 174.600 -0.092 0.000 0.975 642 S CA 0.765 58.889 58.200 -0.127 0.000 0.912 642 S CB -0.191 62.951 63.200 -0.097 0.000 0.776 642 S HN 1.282 nan 8.310 nan 0.000 0.526 643 G N 2.015 110.745 108.800 -0.118 0.000 2.386 643 G HA2 -0.275 3.685 3.960 0.000 0.000 0.295 643 G HA3 -0.275 3.685 3.960 0.000 0.000 0.295 643 G C 0.542 175.426 174.900 -0.027 0.000 0.979 643 G CA 0.553 45.613 45.100 -0.067 0.000 1.193 643 G HN 1.258 nan 8.290 nan 0.000 0.508 644 S N -0.697 115.001 115.700 -0.003 0.000 2.575 644 S HA 0.397 4.867 4.470 0.000 0.000 0.215 644 S C 2.235 176.845 174.600 0.017 0.000 0.966 644 S CA 0.953 59.162 58.200 0.016 0.000 0.911 644 S CB 0.361 63.591 63.200 0.050 0.000 0.780 644 S HN 2.292 nan 8.310 nan 0.000 0.514 645 G N 0.967 109.783 108.800 0.026 0.000 2.200 645 G HA2 -0.313 3.647 3.960 0.000 0.000 0.268 645 G HA3 -0.313 3.647 3.960 0.000 0.000 0.268 645 G C 0.771 175.671 174.900 -0.001 0.000 0.986 645 G CA 0.626 45.738 45.100 0.019 0.000 0.677 645 G HN 0.649 nan 8.290 nan 0.000 0.532 646 V N -1.046 118.862 119.914 -0.010 0.000 2.719 646 V HA 0.229 4.349 4.120 0.000 0.000 0.252 646 V C 1.157 177.044 176.094 -0.345 0.000 1.065 646 V CA 1.380 63.549 62.300 -0.219 0.000 1.086 646 V CB -0.311 31.292 31.823 -0.368 0.000 0.700 646 V HN 0.334 nan 8.190 nan 0.000 0.467 647 F N -0.442 119.520 119.950 0.021 0.000 2.443 647 F HA 0.397 4.924 4.527 0.000 0.000 0.335 647 F C 1.071 176.914 175.800 0.071 0.000 1.104 647 F CA -0.545 57.494 58.000 0.065 0.000 1.013 647 F CB 1.566 40.607 39.000 0.067 0.000 1.136 647 F HN -0.294 nan 8.300 nan 0.000 0.470 648 K N 1.409 121.973 120.400 0.274 0.000 2.186 648 K HA 0.121 4.441 4.320 0.000 0.000 0.202 648 K C -0.320 176.410 176.600 0.217 0.000 1.052 648 K CA 0.850 57.259 56.287 0.205 0.000 0.965 648 K CB 0.235 32.857 32.500 0.202 0.000 0.746 648 K HN 0.796 nan 8.250 nan 0.000 0.457 649 c N -3.328 115.443 118.600 0.286 0.000 3.253 649 c HA 0.799 5.369 4.570 0.000 0.000 0.342 649 c C -0.343 173.972 174.090 0.375 0.000 1.306 649 c CA -0.754 55.763 56.329 0.314 0.000 1.207 649 c CB 0.985 43.630 42.510 0.225 0.000 1.479 649 c HN 0.307 nan 8.230 nan 0.000 0.469 650 G N 0.072 109.149 108.800 0.460 0.000 2.692 650 G HA2 0.786 4.746 3.960 0.000 0.000 0.291 650 G HA3 0.786 4.746 3.960 0.000 0.000 0.291 650 G C -1.868 173.251 174.900 0.366 0.000 1.423 650 G CA -0.814 44.536 45.100 0.416 0.000 0.843 650 G HN 1.080 nan 8.290 nan 0.000 0.486 651 I N 0.606 121.354 120.570 0.298 0.000 2.466 651 I HA 0.593 4.763 4.170 0.000 0.000 0.289 651 I C 0.118 176.340 176.117 0.175 0.000 1.026 651 I CA -1.018 60.331 61.300 0.081 0.000 1.078 651 I CB 2.219 40.250 38.000 0.052 0.000 1.249 651 I HN 0.607 nan 8.210 nan 0.000 0.429 652 A N 6.610 129.433 122.820 0.004 0.000 2.258 652 A HA 0.730 5.050 4.320 0.000 0.000 0.316 652 A C -0.567 176.931 177.584 -0.144 0.000 1.279 652 A CA -0.492 51.558 52.037 0.021 0.000 0.876 652 A CB 0.886 19.953 19.000 0.111 0.000 1.170 652 A HN 0.464 nan 8.150 nan 0.000 0.520 653 V N 2.242 122.031 119.914 -0.208 0.000 2.394 653 V HA 0.546 4.666 4.120 0.000 0.000 0.282 653 V C 1.028 176.720 176.094 -0.671 0.000 1.031 653 V CA 0.276 62.219 62.300 -0.596 0.000 0.881 653 V CB 0.712 31.860 31.823 -1.125 0.000 0.982 653 V HN 1.995 nan 8.190 nan 0.000 0.451 654 A N 5.682 128.090 122.820 -0.687 0.000 2.364 654 A HA -0.110 4.210 4.320 0.000 0.000 0.288 654 A C -1.708 175.730 177.584 -0.243 0.000 1.433 654 A CA 0.339 51.918 52.037 -0.764 0.000 0.757 654 A CB -1.580 17.032 19.000 -0.646 0.000 1.098 654 A HN 0.636 nan 8.150 nan 0.000 0.380 655 P HA 0.391 nan 4.420 nan 0.000 0.277 655 P C 0.158 177.418 177.300 -0.067 0.000 1.240 655 P CA -0.182 62.893 63.100 -0.042 0.000 0.798 655 P CB 1.129 32.828 31.700 -0.002 0.000 0.979 656 V N 2.281 122.063 119.914 -0.219 0.000 2.614 656 V HA 0.065 4.185 4.120 0.000 0.000 0.291 656 V C 1.761 177.651 176.094 -0.339 0.000 1.049 656 V CA 0.880 62.912 62.300 -0.446 0.000 1.038 656 V CB 0.607 31.790 31.823 -1.067 0.000 0.980 656 V HN 0.814 nan 8.190 nan 0.000 0.481 657 S N 4.167 119.721 115.700 -0.244 0.000 2.564 657 S HA 0.230 4.700 4.470 0.000 0.000 0.231 657 S C 0.525 174.980 174.600 -0.242 0.000 1.067 657 S CA -0.383 57.740 58.200 -0.128 0.000 0.908 657 S CB 0.316 63.505 63.200 -0.018 0.000 0.809 657 S HN 0.832 nan 8.310 nan 0.000 0.491 658 R N -1.333 118.935 120.500 -0.387 0.000 2.626 658 R HA 0.524 4.864 4.340 0.000 0.000 0.274 658 R C -0.785 175.187 176.300 -0.546 0.000 1.031 658 R CA -0.933 54.850 56.100 -0.529 0.000 0.898 658 R CB 0.026 30.046 30.300 -0.466 0.000 1.222 658 R HN 0.138 nan 8.270 nan 0.000 0.455 659 W N 1.160 122.333 121.300 -0.212 0.000 2.392 659 W HA -0.058 4.602 4.660 0.000 0.000 0.279 659 W C 1.161 177.759 176.519 0.131 0.000 1.225 659 W CA 0.932 58.236 57.345 -0.069 0.000 1.233 659 W CB 0.181 29.524 29.460 -0.195 0.000 1.122 659 W HN 0.754 nan 8.180 nan 0.000 0.561 660 E N -0.968 119.370 120.200 0.230 0.000 2.331 660 E HA -0.218 4.132 4.350 0.000 0.000 0.199 660 E C 1.391 178.100 176.600 0.182 0.000 1.008 660 E CA 1.039 57.518 56.400 0.130 0.000 0.843 660 E CB -0.256 29.415 29.700 -0.047 0.000 0.761 660 E HN 0.391 nan 8.360 nan 0.000 0.507 661 Y N -1.476 118.922 120.300 0.163 0.000 2.397 661 Y HA 0.026 4.576 4.550 0.000 0.000 0.292 661 Y C 0.941 176.955 175.900 0.189 0.000 1.115 661 Y CA -0.214 57.957 58.100 0.118 0.000 1.208 661 Y CB -0.621 37.852 38.460 0.020 0.000 1.046 661 Y HN 0.027 nan 8.280 nan 0.000 0.552 662 Y N 2.439 122.900 120.300 0.268 0.000 2.281 662 Y HA 0.198 4.748 4.550 0.000 0.000 0.337 662 Y C 0.469 176.564 175.900 0.325 0.000 1.304 662 Y CA -1.688 56.566 58.100 0.257 0.000 1.465 662 Y CB 0.141 38.794 38.460 0.321 0.000 1.350 662 Y HN 0.241 nan 8.280 nan 0.000 0.575 663 D N -0.522 119.588 120.400 -0.483 0.000 2.382 663 D HA 0.094 4.734 4.640 0.000 0.000 0.240 663 D C 0.951 177.200 176.300 -0.085 0.000 1.146 663 D CA 0.357 54.135 54.000 -0.371 0.000 0.897 663 D CB 0.794 41.209 40.800 -0.641 0.000 1.197 663 D HN 0.468 nan 8.370 nan 0.000 0.432 664 S N 1.028 116.699 115.700 -0.049 0.000 2.356 664 S HA -0.209 4.261 4.470 0.000 0.000 0.223 664 S C 1.924 176.533 174.600 0.015 0.000 1.032 664 S CA 1.042 59.268 58.200 0.043 0.000 1.005 664 S CB -0.953 62.279 63.200 0.055 0.000 0.867 664 S HN 0.418 nan 8.310 nan 0.000 0.449 665 V N 0.832 120.692 119.914 -0.090 0.000 2.287 665 V HA -0.188 3.932 4.120 0.000 0.000 0.248 665 V C 2.294 178.288 176.094 -0.167 0.000 1.053 665 V CA 2.308 64.465 62.300 -0.237 0.000 1.027 665 V CB -1.013 30.525 31.823 -0.474 0.000 0.646 665 V HN 0.596 nan 8.190 nan 0.000 0.447 666 Y N 1.175 121.390 120.300 -0.143 0.000 2.114 666 Y HA -0.221 4.329 4.550 0.000 0.000 0.284 666 Y C 2.789 178.662 175.900 -0.044 0.000 1.119 666 Y CA 2.347 60.440 58.100 -0.013 0.000 1.108 666 Y CB -0.714 37.931 38.460 0.309 0.000 0.995 666 Y HN 0.199 nan 8.280 nan 0.000 0.491 667 T N 0.415 115.194 114.554 0.374 0.000 2.665 667 T HA -0.232 4.118 4.350 0.000 0.000 0.268 667 T C 1.572 176.251 174.700 -0.036 0.000 1.035 667 T CA 2.092 64.311 62.100 0.198 0.000 1.151 667 T CB -0.313 68.780 68.868 0.374 0.000 0.862 667 T HN 0.452 nan 8.240 nan 0.000 0.438 668 E N 0.315 120.510 120.200 -0.008 0.000 2.208 668 E HA -0.031 4.319 4.350 0.000 0.000 0.193 668 E C 2.316 178.797 176.600 -0.198 0.000 0.988 668 E CA 0.320 56.710 56.400 -0.017 0.000 0.828 668 E CB -0.105 29.629 29.700 0.056 0.000 0.763 668 E HN 0.343 nan 8.360 nan 0.000 0.478 669 R N 0.168 120.401 120.500 -0.444 0.000 2.139 669 R HA -0.206 4.134 4.340 0.000 0.000 0.243 669 R C 1.066 176.777 176.300 -0.982 0.000 1.145 669 R CA 1.594 57.223 56.100 -0.785 0.000 0.976 669 R CB 0.000 29.578 30.300 -1.203 0.000 0.866 669 R HN 0.246 nan 8.270 nan 0.000 0.449 670 Y N -2.279 117.736 120.300 -0.475 0.000 2.535 670 Y HA 0.237 4.787 4.550 0.000 0.000 0.266 670 Y C 1.823 177.573 175.900 -0.249 0.000 1.088 670 Y CA -0.044 57.781 58.100 -0.458 0.000 1.285 670 Y CB 0.348 38.441 38.460 -0.611 0.000 1.166 670 Y HN -0.058 nan 8.280 nan 0.000 0.525 671 M N -0.421 119.101 119.600 -0.130 0.000 2.367 671 M HA 0.354 4.834 4.480 0.000 0.000 0.256 671 M C 1.151 177.492 176.300 0.069 0.000 1.091 671 M CA 0.914 56.141 55.300 -0.122 0.000 1.049 671 M CB -0.299 32.021 32.600 -0.466 0.000 1.406 671 M HN 0.374 nan 8.290 nan 0.000 0.498 672 G N 1.826 110.671 108.800 0.076 0.000 2.562 672 G HA2 -0.214 3.746 3.960 0.000 0.000 0.250 672 G HA3 -0.214 3.746 3.960 0.000 0.000 0.250 672 G C -0.738 174.295 174.900 0.223 0.000 1.269 672 G CA -0.795 44.379 45.100 0.123 0.000 0.919 672 G HN 0.222 nan 8.290 nan 0.000 0.574 673 L N 2.534 123.854 121.223 0.161 0.000 2.334 673 L HA 0.511 4.851 4.340 0.000 0.000 0.277 673 L C -1.317 175.541 176.870 -0.020 0.000 1.075 673 L CA -2.035 52.849 54.840 0.072 0.000 0.804 673 L CB 1.099 43.172 42.059 0.024 0.000 1.174 673 L HN 0.422 nan 8.230 nan 0.000 0.438 674 P HA 0.080 nan 4.420 nan 0.000 0.228 674 P C -0.372 176.776 177.300 -0.254 0.000 1.748 674 P CA -0.145 62.545 63.100 -0.682 0.000 0.909 674 P CB -0.479 30.524 31.700 -1.162 0.000 1.882 675 T N -3.425 111.068 114.554 -0.100 0.000 2.940 675 T HA 0.480 4.830 4.350 0.000 0.000 0.288 675 T C -2.137 172.561 174.700 -0.004 0.000 1.033 675 T CA -2.461 59.612 62.100 -0.046 0.000 1.033 675 T CB 1.807 70.659 68.868 -0.026 0.000 1.079 675 T HN -0.284 nan 8.240 nan 0.000 0.496 676 P HA -0.029 nan 4.420 nan 0.000 0.218 676 P C 0.904 178.219 177.300 0.024 0.000 1.148 676 P CA 0.965 64.075 63.100 0.017 0.000 0.822 676 P CB 0.028 31.735 31.700 0.011 0.000 0.784 677 E N -1.216 118.995 120.200 0.017 0.000 2.347 677 E HA -0.095 4.255 4.350 0.000 0.000 0.196 677 E C 1.344 177.961 176.600 0.029 0.000 1.008 677 E CA 0.828 57.239 56.400 0.019 0.000 0.852 677 E CB -0.382 29.325 29.700 0.011 0.000 0.783 677 E HN 0.325 nan 8.360 nan 0.000 0.505 678 D N -0.656 119.768 120.400 0.040 0.000 3.066 678 D HA 0.111 4.751 4.640 0.000 0.000 0.225 678 D C 0.145 176.502 176.300 0.094 0.000 1.397 678 D CA -0.015 54.021 54.000 0.060 0.000 1.344 678 D CB -0.067 40.770 40.800 0.061 0.000 0.934 678 D HN 0.012 nan 8.370 nan 0.000 0.202 679 N N 0.021 118.808 118.700 0.145 0.000 2.305 679 N HA 0.049 4.789 4.740 0.000 0.000 0.248 679 N C 1.239 176.944 175.510 0.325 0.000 1.290 679 N CA -0.112 53.075 53.050 0.228 0.000 0.873 679 N CB 0.796 39.442 38.487 0.265 0.000 1.261 679 N HN -0.003 nan 8.380 nan 0.000 0.504 680 L N 1.190 122.520 121.223 0.178 0.000 2.043 680 L HA -0.186 4.154 4.340 0.000 0.000 0.212 680 L C 1.359 178.339 176.870 0.182 0.000 1.075 680 L CA 2.012 56.928 54.840 0.126 0.000 0.752 680 L CB -0.490 41.583 42.059 0.023 0.000 0.891 680 L HN 0.183 nan 8.230 nan 0.000 0.432 681 D N -1.487 119.006 120.400 0.156 0.000 2.104 681 D HA -0.244 4.396 4.640 0.000 0.000 0.194 681 D C 2.120 178.528 176.300 0.180 0.000 0.994 681 D CA 1.744 55.828 54.000 0.139 0.000 0.830 681 D CB -0.227 40.641 40.800 0.113 0.000 0.959 681 D HN 0.571 nan 8.370 nan 0.000 0.452 682 H N -0.807 118.333 119.070 0.115 0.000 2.428 682 H HA -0.070 4.486 4.556 0.000 0.000 0.296 682 H C 1.662 177.052 175.328 0.103 0.000 1.062 682 H CA 1.195 57.290 56.048 0.078 0.000 1.350 682 H CB -0.328 29.448 29.762 0.024 0.000 1.403 682 H HN 0.162 nan 8.280 nan 0.000 0.533 683 Y N 0.451 120.732 120.300 -0.032 0.000 2.081 683 Y HA -0.228 4.322 4.550 0.000 0.000 0.280 683 Y C 2.541 178.393 175.900 -0.079 0.000 1.163 683 Y CA 1.779 59.852 58.100 -0.045 0.000 1.135 683 Y CB 0.016 38.486 38.460 0.016 0.000 0.970 683 Y HN 0.136 nan 8.280 nan 0.000 0.498 684 R N -0.309 120.264 120.500 0.121 0.000 2.148 684 R HA -0.097 4.243 4.340 0.000 0.000 0.223 684 R C 1.496 177.799 176.300 0.006 0.000 1.088 684 R CA 0.764 56.892 56.100 0.046 0.000 0.985 684 R CB -0.797 29.532 30.300 0.049 0.000 0.880 684 R HN 0.379 nan 8.270 nan 0.000 0.451 685 N N 1.068 119.766 118.700 -0.003 0.000 2.461 685 N HA -0.054 4.686 4.740 0.000 0.000 0.188 685 N C 0.164 175.647 175.510 -0.045 0.000 1.134 685 N CA 0.580 53.635 53.050 0.008 0.000 0.878 685 N CB 0.350 38.895 38.487 0.098 0.000 0.972 685 N HN 0.160 nan 8.380 nan 0.000 0.456 686 S N -1.331 114.296 115.700 -0.123 0.000 2.843 686 S HA 0.081 4.551 4.470 0.000 0.000 0.249 686 S C 0.384 174.989 174.600 0.008 0.000 1.047 686 S CA -0.728 57.421 58.200 -0.085 0.000 1.042 686 S CB -0.237 62.809 63.200 -0.257 0.000 0.936 686 S HN 0.145 nan 8.310 nan 0.000 0.531 687 T N -1.122 113.416 114.554 -0.027 0.000 2.882 687 T HA 0.513 4.863 4.350 0.000 0.000 0.287 687 T C 1.380 176.070 174.700 -0.017 0.000 1.014 687 T CA -0.456 61.619 62.100 -0.041 0.000 1.049 687 T CB 1.176 70.001 68.868 -0.071 0.000 1.001 687 T HN -0.018 nan 8.240 nan 0.000 0.525 688 V N 1.984 121.886 119.914 -0.021 0.000 2.379 688 V HA -0.143 3.977 4.120 0.000 0.000 0.245 688 V C 2.757 178.821 176.094 -0.051 0.000 1.044 688 V CA 1.659 63.937 62.300 -0.036 0.000 1.036 688 V CB -0.859 30.936 31.823 -0.046 0.000 0.664 688 V HN 0.867 nan 8.190 nan 0.000 0.453 689 M N 1.255 120.812 119.600 -0.073 0.000 2.202 689 M HA -0.128 4.352 4.480 0.000 0.000 0.262 689 M C 2.332 178.601 176.300 -0.051 0.000 1.063 689 M CA 2.219 57.467 55.300 -0.088 0.000 1.097 689 M CB -2.104 30.454 32.600 -0.071 0.000 1.382 689 M HN 0.557 nan 8.290 nan 0.000 0.413 690 S N 0.846 116.530 115.700 -0.027 0.000 2.442 690 S HA -0.072 4.398 4.470 0.000 0.000 0.236 690 S C 1.820 176.425 174.600 0.010 0.000 1.007 690 S CA 0.758 58.952 58.200 -0.009 0.000 0.965 690 S CB -0.570 62.626 63.200 -0.007 0.000 0.773 690 S HN 0.576 nan 8.310 nan 0.000 0.504 691 R N 0.956 121.474 120.500 0.029 0.000 2.334 691 R HA 0.439 4.779 4.340 0.000 0.000 0.220 691 R C 2.214 178.625 176.300 0.186 0.000 0.917 691 R CA 0.453 56.601 56.100 0.079 0.000 1.073 691 R CB -0.415 29.925 30.300 0.068 0.000 1.056 691 R HN 0.484 nan 8.270 nan 0.000 0.506 692 A N 1.546 124.416 122.820 0.082 0.000 1.903 692 A HA -0.313 4.007 4.320 0.000 0.000 0.219 692 A C 2.033 179.709 177.584 0.153 0.000 1.191 692 A CA 1.994 54.040 52.037 0.014 0.000 0.638 692 A CB -0.395 18.539 19.000 -0.110 0.000 0.823 692 A HN 0.321 nan 8.150 nan 0.000 0.451 693 E N 0.513 120.770 120.200 0.094 0.000 2.136 693 E HA -0.239 4.111 4.350 0.000 0.000 0.202 693 E C 1.505 178.169 176.600 0.107 0.000 1.019 693 E CA 2.129 58.579 56.400 0.084 0.000 0.819 693 E CB -0.545 29.184 29.700 0.049 0.000 0.739 693 E HN 0.806 nan 8.360 nan 0.000 0.458 694 N N -1.346 117.418 118.700 0.106 0.000 2.521 694 N HA -0.005 4.735 4.740 0.000 0.000 0.188 694 N C 0.649 176.147 175.510 -0.020 0.000 1.146 694 N CA 0.086 53.147 53.050 0.018 0.000 0.893 694 N CB -0.055 38.394 38.487 -0.063 0.000 0.975 694 N HN 0.153 nan 8.380 nan 0.000 0.451 695 F N 1.168 121.075 119.950 -0.071 0.000 2.699 695 F HA 0.056 4.583 4.527 0.000 0.000 0.298 695 F C 1.930 177.733 175.800 0.004 0.000 1.154 695 F CA 0.514 58.467 58.000 -0.079 0.000 1.457 695 F CB 0.115 39.022 39.000 -0.156 0.000 1.106 695 F HN -0.077 nan 8.300 nan 0.000 0.585 696 K N 0.180 120.678 120.400 0.162 0.000 2.360 696 K HA -0.187 4.133 4.320 0.000 0.000 0.201 696 K C 1.207 177.862 176.600 0.092 0.000 1.046 696 K CA 1.101 57.462 56.287 0.123 0.000 0.940 696 K CB -0.106 32.448 32.500 0.090 0.000 0.748 696 K HN 0.435 nan 8.250 nan 0.000 0.465 697 Q N -0.105 119.730 119.800 0.059 0.000 2.247 697 Q HA 0.079 4.419 4.340 0.000 0.000 0.204 697 Q C -0.322 175.713 176.000 0.059 0.000 0.872 697 Q CA -0.238 55.592 55.803 0.045 0.000 0.951 697 Q CB 1.031 29.779 28.738 0.016 0.000 1.099 697 Q HN 0.059 nan 8.270 nan 0.000 0.501 698 V N -3.200 116.764 119.914 0.084 0.000 3.049 698 V HA 0.487 4.607 4.120 0.000 0.000 0.309 698 V C -1.137 175.091 176.094 0.224 0.000 1.148 698 V CA -1.345 61.028 62.300 0.122 0.000 0.990 698 V CB 2.292 34.146 31.823 0.052 0.000 1.039 698 V HN 0.004 nan 8.190 nan 0.000 0.430 699 E N 2.094 122.452 120.200 0.264 0.000 2.259 699 E HA 0.458 4.808 4.350 0.000 0.000 0.281 699 E C -1.675 175.284 176.600 0.599 0.000 1.027 699 E CA -0.284 56.346 56.400 0.384 0.000 0.838 699 E CB 1.428 31.296 29.700 0.279 0.000 1.066 699 E HN 0.681 nan 8.360 nan 0.000 0.401 700 Y N 3.049 123.603 120.300 0.424 0.000 2.446 700 Y HA 0.455 5.005 4.550 0.000 0.000 0.345 700 Y C -1.464 174.505 175.900 0.116 0.000 0.984 700 Y CA -1.311 56.975 58.100 0.311 0.000 1.058 700 Y CB 1.057 39.721 38.460 0.340 0.000 1.220 700 Y HN 0.431 nan 8.280 nan 0.000 0.455 701 L N 7.470 128.351 121.223 -0.570 0.000 2.343 701 L HA 0.486 4.826 4.340 0.000 0.000 0.278 701 L C -1.629 174.760 176.870 -0.801 0.000 0.996 701 L CA -0.762 53.634 54.840 -0.739 0.000 0.831 701 L CB 1.278 42.659 42.059 -1.129 0.000 1.232 701 L HN 0.628 nan 8.230 nan 0.000 0.413 702 L N 6.235 127.106 121.223 -0.587 0.000 2.287 702 L HA 0.584 4.924 4.340 0.000 0.000 0.287 702 L C -0.806 175.941 176.870 -0.205 0.000 1.022 702 L CA -0.476 54.096 54.840 -0.446 0.000 0.814 702 L CB 1.548 43.414 42.059 -0.321 0.000 1.217 702 L HN 0.572 nan 8.230 nan 0.000 0.420 703 I N 3.315 123.775 120.570 -0.184 0.000 2.582 703 I HA 0.415 4.585 4.170 0.000 0.000 0.292 703 I C -1.092 175.004 176.117 -0.035 0.000 1.066 703 I CA -0.739 60.509 61.300 -0.087 0.000 1.053 703 I CB 2.233 40.149 38.000 -0.139 0.000 1.241 703 I HN 0.609 nan 8.210 nan 0.000 0.421 704 H N 2.523 121.625 119.070 0.053 0.000 3.129 704 H HA 0.444 5.000 4.556 0.000 0.000 0.342 704 H C -0.360 175.183 175.328 0.359 0.000 1.092 704 H CA -0.575 55.537 56.048 0.107 0.000 1.310 704 H CB 1.944 31.683 29.762 -0.039 0.000 1.932 704 H HN 0.783 nan 8.280 nan 0.000 0.507 705 G N 1.434 110.559 108.800 0.542 0.000 2.403 705 G HA2 0.188 4.148 3.960 0.000 0.000 0.259 705 G HA3 0.188 4.148 3.960 0.000 0.000 0.259 705 G C 1.188 176.386 174.900 0.497 0.000 1.244 705 G CA 0.171 45.562 45.100 0.486 0.000 0.849 705 G HN 0.757 nan 8.290 nan 0.000 0.532 706 T N -0.410 114.303 114.554 0.264 0.000 2.951 706 T HA 0.054 4.404 4.350 0.000 0.000 0.268 706 T C 1.798 176.460 174.700 -0.064 0.000 1.073 706 T CA 1.298 63.364 62.100 -0.058 0.000 1.134 706 T CB 0.113 68.855 68.868 -0.211 0.000 0.884 706 T HN 0.678 nan 8.240 nan 0.000 0.479 707 A N 1.128 123.981 122.820 0.054 0.000 2.640 707 A HA 0.278 4.598 4.320 0.000 0.000 0.282 707 A C 0.475 178.015 177.584 -0.074 0.000 1.357 707 A CA -0.478 51.568 52.037 0.015 0.000 0.946 707 A CB -0.427 18.838 19.000 0.443 0.000 1.065 707 A HN 0.399 nan 8.150 nan 0.000 0.541 708 D N 1.544 121.915 120.400 -0.048 0.000 2.348 708 D HA -0.014 4.626 4.640 0.000 0.000 0.259 708 D C 0.337 176.605 176.300 -0.052 0.000 1.296 708 D CA 0.149 54.228 54.000 0.131 0.000 0.931 708 D CB 0.615 41.658 40.800 0.405 0.000 1.067 708 D HN 0.584 nan 8.370 nan 0.000 0.503 709 D N 2.202 122.619 120.400 0.027 0.000 2.323 709 D HA -0.126 4.514 4.640 0.000 0.000 0.209 709 D C 1.075 177.358 176.300 -0.027 0.000 0.973 709 D CA 0.231 54.200 54.000 -0.052 0.000 0.874 709 D CB 0.266 40.978 40.800 -0.146 0.000 0.930 709 D HN 0.440 nan 8.370 nan 0.000 0.521 710 N N 0.204 118.993 118.700 0.149 0.000 2.272 710 N HA -0.046 4.694 4.740 0.000 0.000 0.195 710 N C -0.109 175.389 175.510 -0.020 0.000 1.048 710 N CA 0.200 53.366 53.050 0.194 0.000 0.912 710 N CB 0.601 39.212 38.487 0.207 0.000 1.096 710 N HN -0.174 nan 8.380 nan 0.000 0.471 711 V N 2.542 122.482 119.914 0.043 0.000 2.322 711 V HA 0.143 4.263 4.120 0.000 0.000 0.258 711 V C -0.736 175.463 176.094 0.174 0.000 1.074 711 V CA -0.153 62.194 62.300 0.077 0.000 0.909 711 V CB -0.384 31.511 31.823 0.120 0.000 1.090 711 V HN 0.337 nan 8.190 nan 0.000 0.486 712 H N 3.194 122.278 119.070 0.024 0.000 2.871 712 H HA -0.005 4.551 4.556 0.000 0.000 0.355 712 H C 0.811 176.034 175.328 -0.175 0.000 1.092 712 H CA -0.079 55.902 56.048 -0.112 0.000 1.420 712 H CB 0.776 30.374 29.762 -0.274 0.000 1.400 712 H HN 0.612 nan 8.280 nan 0.000 0.604 713 F N 1.898 121.670 119.950 -0.297 0.000 2.154 713 F HA -0.321 4.206 4.527 0.000 0.000 0.301 713 F C 2.642 178.132 175.800 -0.517 0.000 1.087 713 F CA 1.903 59.472 58.000 -0.718 0.000 1.274 713 F CB -0.217 38.546 39.000 -0.396 0.000 1.009 713 F HN 0.691 nan 8.300 nan 0.000 0.485 714 Q N 0.245 119.925 119.800 -0.199 0.000 2.124 714 Q HA -0.383 3.957 4.340 0.000 0.000 0.215 714 Q C 2.118 177.857 176.000 -0.434 0.000 1.015 714 Q CA 2.784 58.403 55.803 -0.306 0.000 0.890 714 Q CB -0.490 28.029 28.738 -0.366 0.000 0.966 714 Q HN 0.623 nan 8.270 nan 0.000 0.412 715 Q N -0.257 119.317 119.800 -0.378 0.000 2.014 715 Q HA -0.164 4.176 4.340 0.000 0.000 0.207 715 Q C 2.368 178.232 176.000 -0.227 0.000 0.993 715 Q CA 1.907 57.595 55.803 -0.191 0.000 0.850 715 Q CB -0.320 28.406 28.738 -0.020 0.000 0.916 715 Q HN 0.370 nan 8.270 nan 0.000 0.417 716 S N 0.882 116.352 115.700 -0.384 0.000 2.382 716 S HA -0.122 4.348 4.470 0.000 0.000 0.228 716 S C 2.081 176.420 174.600 -0.435 0.000 1.027 716 S CA 0.963 58.931 58.200 -0.387 0.000 0.991 716 S CB -0.270 62.651 63.200 -0.465 0.000 0.823 716 S HN 0.506 nan 8.310 nan 0.000 0.469 717 A N 1.253 123.725 122.820 -0.580 0.000 1.933 717 A HA -0.138 4.182 4.320 0.000 0.000 0.218 717 A C 2.128 179.609 177.584 -0.173 0.000 1.175 717 A CA 1.170 53.017 52.037 -0.318 0.000 0.628 717 A CB -0.455 18.435 19.000 -0.184 0.000 0.814 717 A HN 0.346 nan 8.150 nan 0.000 0.444 718 Q N -0.328 119.371 119.800 -0.168 0.000 2.167 718 Q HA -0.045 4.295 4.340 0.000 0.000 0.202 718 Q C 2.090 178.033 176.000 -0.096 0.000 0.970 718 Q CA 1.059 56.816 55.803 -0.077 0.000 0.855 718 Q CB -0.349 28.409 28.738 0.034 0.000 0.911 718 Q HN 0.796 nan 8.270 nan 0.000 0.438 719 I N 0.749 121.230 120.570 -0.148 0.000 2.163 719 I HA -0.266 3.904 4.170 0.000 0.000 0.240 719 I C 2.506 178.458 176.117 -0.274 0.000 1.081 719 I CA 1.322 62.492 61.300 -0.217 0.000 1.353 719 I CB -0.607 37.264 38.000 -0.216 0.000 1.054 719 I HN 0.187 nan 8.210 nan 0.000 0.407 720 S N 1.317 116.880 115.700 -0.227 0.000 2.359 720 S HA -0.336 4.134 4.470 0.000 0.000 0.223 720 S C 2.040 176.625 174.600 -0.026 0.000 1.039 720 S CA 1.831 59.959 58.200 -0.121 0.000 1.042 720 S CB -0.667 62.599 63.200 0.110 0.000 0.915 720 S HN 0.347 nan 8.310 nan 0.000 0.439 721 K N 1.786 122.170 120.400 -0.028 0.000 2.044 721 K HA -0.129 4.191 4.320 0.000 0.000 0.210 721 K C 2.351 178.934 176.600 -0.028 0.000 1.049 721 K CA 1.444 57.727 56.287 -0.008 0.000 0.927 721 K CB -0.781 31.709 32.500 -0.016 0.000 0.713 721 K HN 0.487 nan 8.250 nan 0.000 0.443 722 A N 0.939 123.711 122.820 -0.080 0.000 1.877 722 A HA -0.143 4.177 4.320 0.000 0.000 0.216 722 A C 2.128 179.649 177.584 -0.105 0.000 1.186 722 A CA 1.548 53.528 52.037 -0.094 0.000 0.620 722 A CB -0.664 18.255 19.000 -0.134 0.000 0.822 722 A HN 0.333 nan 8.150 nan 0.000 0.443 723 L N -0.696 120.420 121.223 -0.179 0.000 2.093 723 L HA -0.142 4.198 4.340 0.000 0.000 0.208 723 L C 2.510 179.415 176.870 0.058 0.000 1.085 723 L CA 0.880 55.634 54.840 -0.144 0.000 0.755 723 L CB -0.609 41.220 42.059 -0.384 0.000 0.904 723 L HN 0.236 nan 8.230 nan 0.000 0.435 724 V N -0.057 119.926 119.914 0.115 0.000 2.295 724 V HA -0.296 3.824 4.120 0.000 0.000 0.246 724 V C 2.085 178.221 176.094 0.069 0.000 1.049 724 V CA 1.956 64.337 62.300 0.134 0.000 1.024 724 V CB -0.470 31.426 31.823 0.121 0.000 0.648 724 V HN 0.437 nan 8.190 nan 0.000 0.447 725 D N -0.658 119.764 120.400 0.037 0.000 2.218 725 D HA -0.112 4.528 4.640 0.000 0.000 0.204 725 D C 1.767 178.082 176.300 0.024 0.000 0.976 725 D CA 1.143 55.157 54.000 0.023 0.000 0.853 725 D CB 0.006 40.811 40.800 0.008 0.000 0.939 725 D HN 0.370 nan 8.370 nan 0.000 0.481 726 V N -0.565 119.364 119.914 0.025 0.000 3.621 726 V HA 0.285 4.405 4.120 0.000 0.000 0.285 726 V C 0.783 176.906 176.094 0.048 0.000 1.346 726 V CA 0.841 63.158 62.300 0.029 0.000 1.104 726 V CB -0.064 31.770 31.823 0.019 0.000 0.913 726 V HN 0.343 nan 8.190 nan 0.000 0.432 727 G N 0.914 109.751 108.800 0.062 0.000 2.341 727 G HA2 -0.169 3.791 3.960 0.000 0.000 0.278 727 G HA3 -0.169 3.791 3.960 0.000 0.000 0.278 727 G C -0.236 174.724 174.900 0.099 0.000 1.111 727 G CA 0.264 45.408 45.100 0.074 0.000 0.982 727 G HN 0.629 nan 8.290 nan 0.000 0.502 728 V N 0.347 120.345 119.914 0.140 0.000 2.417 728 V HA 0.495 4.615 4.120 0.000 0.000 0.291 728 V C 0.353 176.624 176.094 0.295 0.000 1.024 728 V CA -0.790 61.624 62.300 0.191 0.000 0.861 728 V CB 1.849 33.781 31.823 0.182 0.000 0.985 728 V HN 0.455 nan 8.190 nan 0.000 0.436 729 D N 3.465 124.007 120.400 0.238 0.000 2.339 729 D HA 0.597 5.237 4.640 0.000 0.000 0.245 729 D C -0.511 176.017 176.300 0.379 0.000 1.115 729 D CA 0.357 54.478 54.000 0.202 0.000 0.917 729 D CB 0.776 41.642 40.800 0.109 0.000 1.192 729 D HN 0.378 nan 8.370 nan 0.000 0.428 730 F N -0.620 119.406 119.950 0.126 0.000 3.052 730 F HA 0.489 5.016 4.527 0.000 0.000 0.323 730 F C -1.504 174.352 175.800 0.094 0.000 1.178 730 F CA -1.122 56.975 58.000 0.162 0.000 0.892 730 F CB 0.670 39.802 39.000 0.219 0.000 1.416 730 F HN 0.055 nan 8.300 nan 0.000 0.488 731 Q N 1.164 121.088 119.800 0.206 0.000 2.301 731 Q HA 0.848 5.188 4.340 0.000 0.000 0.267 731 Q C -0.939 175.098 176.000 0.062 0.000 1.035 731 Q CA -0.804 55.017 55.803 0.029 0.000 0.856 731 Q CB 2.084 30.845 28.738 0.038 0.000 1.337 731 Q HN 1.070 nan 8.270 nan 0.000 0.450 732 A N 1.373 124.186 122.820 -0.011 0.000 2.556 732 A HA 0.858 5.178 4.320 0.000 0.000 0.294 732 A C -1.445 176.090 177.584 -0.082 0.000 1.091 732 A CA -0.539 51.514 52.037 0.026 0.000 0.704 732 A CB 1.926 21.018 19.000 0.154 0.000 1.300 732 A HN 0.595 nan 8.150 nan 0.000 0.406 733 M N 1.454 120.995 119.600 -0.099 0.000 2.274 733 M HA 0.548 5.028 4.480 0.000 0.000 0.272 733 M C -1.790 174.394 176.300 -0.194 0.000 1.053 733 M CA -0.510 54.589 55.300 -0.335 0.000 0.978 733 M CB 1.044 33.391 32.600 -0.422 0.000 1.836 733 M HN 0.929 nan 8.290 nan 0.000 0.484 734 W N 4.128 125.278 121.300 -0.251 0.000 2.436 734 W HA 0.784 5.444 4.660 -0.000 0.000 0.347 734 W C -1.867 174.391 176.519 -0.435 0.000 1.136 734 W CA -0.729 56.548 57.345 -0.114 0.000 1.286 734 W CB 0.350 29.807 29.460 -0.006 0.000 1.253 734 W HN 0.599 nan 8.180 nan 0.000 0.617 735 Y N 1.712 122.170 120.300 0.264 0.000 2.376 735 Y HA 0.285 4.835 4.550 0.000 0.000 0.326 735 Y C 0.358 176.380 175.900 0.203 0.000 0.970 735 Y CA -1.237 56.930 58.100 0.112 0.000 1.248 735 Y CB 1.414 39.900 38.460 0.043 0.000 1.117 735 Y HN 0.413 nan 8.280 nan 0.000 0.476 736 T N 4.751 119.488 114.554 0.305 0.000 2.778 736 T HA -0.028 4.322 4.350 0.000 0.000 0.282 736 T C 0.165 174.934 174.700 0.116 0.000 0.983 736 T CA 0.788 63.008 62.100 0.200 0.000 1.193 736 T CB -0.195 68.735 68.868 0.105 0.000 0.938 736 T HN 0.723 nan 8.240 nan 0.000 0.523 737 D N 0.606 121.033 120.400 0.045 0.000 2.978 737 D HA -0.126 4.514 4.640 0.000 0.000 0.205 737 D C 0.350 176.751 176.300 0.169 0.000 1.093 737 D CA 1.187 55.123 54.000 -0.107 0.000 1.006 737 D CB -0.425 40.109 40.800 -0.444 0.000 1.116 737 D HN 0.564 nan 8.370 nan 0.000 0.419 738 E N 1.011 121.341 120.200 0.217 0.000 2.349 738 E HA 0.301 4.651 4.350 0.000 0.000 0.265 738 E C 0.910 177.682 176.600 0.287 0.000 1.064 738 E CA -0.089 56.461 56.400 0.250 0.000 0.886 738 E CB 1.056 30.891 29.700 0.225 0.000 1.036 738 E HN 0.385 nan 8.360 nan 0.000 0.413 739 D N -0.202 120.380 120.400 0.304 0.000 2.466 739 D HA -0.010 4.630 4.640 0.000 0.000 0.271 739 D C 1.102 177.615 176.300 0.355 0.000 1.193 739 D CA -0.096 54.105 54.000 0.335 0.000 1.103 739 D CB -0.387 40.644 40.800 0.383 0.000 1.184 739 D HN 0.439 nan 8.370 nan 0.000 0.593 740 H N -1.406 117.844 119.070 0.300 0.000 2.491 740 H HA 0.159 4.715 4.556 0.000 0.000 0.290 740 H C 1.931 177.511 175.328 0.421 0.000 1.050 740 H CA 1.993 58.242 56.048 0.335 0.000 1.309 740 H CB -0.374 29.573 29.762 0.309 0.000 1.392 740 H HN 0.464 nan 8.280 nan 0.000 0.554 741 G N 0.194 109.172 108.800 0.298 0.000 2.448 741 G HA2 -0.086 3.874 3.960 0.000 0.000 0.218 741 G HA3 -0.086 3.874 3.960 0.000 0.000 0.218 741 G C 0.779 175.865 174.900 0.309 0.000 1.135 741 G CA 0.412 45.627 45.100 0.192 0.000 0.784 741 G HN 0.546 nan 8.290 nan 0.000 0.543 742 I N 0.139 120.904 120.570 0.325 0.000 5.158 742 I HA -0.334 3.836 4.170 0.000 0.000 0.126 742 I C 1.581 177.824 176.117 0.209 0.000 1.344 742 I CA 0.173 61.602 61.300 0.215 0.000 2.637 742 I CB -1.207 36.868 38.000 0.126 0.000 2.338 742 I HN 0.278 nan 8.210 nan 0.000 0.320 743 A N 0.839 123.761 122.820 0.171 0.000 2.343 743 A HA 0.245 4.565 4.320 0.000 0.000 0.223 743 A C 1.197 178.830 177.584 0.083 0.000 1.214 743 A CA 0.601 52.706 52.037 0.115 0.000 0.900 743 A CB 0.184 19.229 19.000 0.075 0.000 0.942 743 A HN 0.627 nan 8.150 nan 0.000 0.507 744 S N -0.339 115.425 115.700 0.108 0.000 2.579 744 S HA 0.203 4.673 4.470 0.000 0.000 0.275 744 S C 1.246 175.901 174.600 0.092 0.000 1.345 744 S CA 0.371 58.628 58.200 0.094 0.000 1.031 744 S CB 1.138 64.402 63.200 0.107 0.000 0.892 744 S HN 0.501 nan 8.310 nan 0.000 0.529 745 S N 1.792 117.535 115.700 0.070 0.000 2.359 745 S HA -0.185 4.285 4.470 0.000 0.000 0.222 745 S C 2.093 176.755 174.600 0.104 0.000 1.038 745 S CA 2.321 60.563 58.200 0.070 0.000 1.051 745 S CB -1.649 61.577 63.200 0.042 0.000 0.944 745 S HN 1.073 nan 8.310 nan 0.000 0.433 746 T N -0.458 114.145 114.554 0.081 0.000 2.904 746 T HA 0.253 4.603 4.350 0.000 0.000 0.267 746 T C 1.934 176.687 174.700 0.088 0.000 1.059 746 T CA 1.185 63.333 62.100 0.079 0.000 1.137 746 T CB -0.755 68.150 68.868 0.062 0.000 0.879 746 T HN 0.471 nan 8.240 nan 0.000 0.467 747 A N 1.563 124.420 122.820 0.061 0.000 1.898 747 A HA -0.080 4.240 4.320 0.000 0.000 0.216 747 A C 2.194 179.741 177.584 -0.062 0.000 1.181 747 A CA 1.949 53.962 52.037 -0.039 0.000 0.620 747 A CB -1.229 17.724 19.000 -0.079 0.000 0.819 747 A HN 0.753 nan 8.150 nan 0.000 0.442 748 H N -0.369 118.685 119.070 -0.026 0.000 2.321 748 H HA -0.130 4.426 4.556 0.000 0.000 0.300 748 H C 2.099 177.481 175.328 0.092 0.000 1.087 748 H CA 2.320 58.400 56.048 0.053 0.000 1.319 748 H CB -0.238 29.560 29.762 0.061 0.000 1.379 748 H HN 0.548 nan 8.280 nan 0.000 0.501 749 Q N -0.954 118.821 119.800 -0.042 0.000 2.084 749 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 749 Q C 2.274 178.243 176.000 -0.052 0.000 0.978 749 Q CA 1.447 57.187 55.803 -0.106 0.000 0.844 749 Q CB -0.196 28.534 28.738 -0.013 0.000 0.898 749 Q HN 0.626 nan 8.270 nan 0.000 0.426 750 H N 0.405 119.437 119.070 -0.062 0.000 2.353 750 H HA -0.109 4.447 4.556 0.000 0.000 0.300 750 H C 2.028 177.349 175.328 -0.011 0.000 1.090 750 H CA 1.445 57.493 56.048 0.000 0.000 1.327 750 H CB -0.004 29.807 29.762 0.082 0.000 1.383 750 H HN 0.306 nan 8.280 nan 0.000 0.508 751 I N 0.070 120.608 120.570 -0.052 0.000 2.133 751 I HA -0.325 3.845 4.170 0.000 0.000 0.238 751 I C 1.865 177.766 176.117 -0.360 0.000 1.074 751 I CA 1.234 62.421 61.300 -0.189 0.000 1.342 751 I CB -0.392 37.311 38.000 -0.495 0.000 1.053 751 I HN 0.129 nan 8.210 nan 0.000 0.404 752 Y N 1.214 121.279 120.300 -0.392 0.000 2.241 752 Y HA -0.284 4.266 4.550 0.000 0.000 0.286 752 Y C 2.733 178.421 175.900 -0.353 0.000 1.166 752 Y CA 2.053 59.810 58.100 -0.570 0.000 1.203 752 Y CB -1.091 37.020 38.460 -0.581 0.000 0.977 752 Y HN 0.221 nan 8.280 nan 0.000 0.529 753 T N -1.841 112.634 114.554 -0.133 0.000 2.701 753 T HA -0.217 4.133 4.350 0.000 0.000 0.263 753 T C 1.584 176.210 174.700 -0.123 0.000 1.040 753 T CA 1.748 63.755 62.100 -0.155 0.000 1.147 753 T CB -0.476 68.305 68.868 -0.144 0.000 0.865 753 T HN 0.414 nan 8.240 nan 0.000 0.426 754 H N 0.762 119.729 119.070 -0.171 0.000 2.352 754 H HA 0.038 4.594 4.556 0.000 0.000 0.299 754 H C 2.155 177.477 175.328 -0.010 0.000 1.097 754 H CA 1.679 57.695 56.048 -0.053 0.000 1.311 754 H CB -0.252 29.453 29.762 -0.095 0.000 1.377 754 H HN 0.284 nan 8.280 nan 0.000 0.504 755 M N -0.985 118.560 119.600 -0.093 0.000 2.099 755 M HA -0.174 4.306 4.480 0.000 0.000 0.262 755 M C 2.501 178.909 176.300 0.181 0.000 1.067 755 M CA 1.621 56.863 55.300 -0.096 0.000 1.124 755 M CB -0.062 32.236 32.600 -0.503 0.000 1.353 755 M HN 0.171 nan 8.290 nan 0.000 0.410 756 S N -0.389 115.452 115.700 0.235 0.000 2.359 756 S HA -0.202 4.268 4.470 0.000 0.000 0.223 756 S C 1.726 176.385 174.600 0.098 0.000 1.039 756 S CA 1.314 59.705 58.200 0.319 0.000 1.042 756 S CB -0.796 62.550 63.200 0.244 0.000 0.915 756 S HN 0.456 nan 8.310 nan 0.000 0.439 757 H N -0.059 119.064 119.070 0.089 0.000 2.319 757 H HA -0.104 4.452 4.556 0.000 0.000 0.297 757 H C 2.025 177.351 175.328 -0.003 0.000 1.097 757 H CA 1.579 57.634 56.048 0.012 0.000 1.285 757 H CB -0.906 28.816 29.762 -0.067 0.000 1.368 757 H HN 0.450 nan 8.280 nan 0.000 0.495 758 F N 1.318 121.246 119.950 -0.035 0.000 2.065 758 F HA -0.226 4.301 4.527 0.000 0.000 0.298 758 F C 2.439 178.193 175.800 -0.076 0.000 1.112 758 F CA 1.098 59.051 58.000 -0.078 0.000 1.212 758 F CB -0.402 38.533 39.000 -0.108 0.000 0.975 758 F HN -0.021 nan 8.300 nan 0.000 0.476 759 I N 0.751 121.321 120.570 0.001 0.000 2.226 759 I HA -0.268 3.902 4.170 0.000 0.000 0.245 759 I C 2.279 178.192 176.117 -0.339 0.000 1.100 759 I CA 1.454 62.594 61.300 -0.268 0.000 1.374 759 I CB -1.138 36.801 38.000 -0.103 0.000 1.057 759 I HN 0.233 nan 8.210 nan 0.000 0.413 760 K N 0.296 120.643 120.400 -0.090 0.000 2.032 760 K HA -0.234 4.086 4.320 0.000 0.000 0.209 760 K C 1.955 178.539 176.600 -0.027 0.000 1.048 760 K CA 1.280 57.568 56.287 0.003 0.000 0.927 760 K CB -0.501 32.048 32.500 0.082 0.000 0.712 760 K HN 0.401 nan 8.250 nan 0.000 0.441 761 Q N 1.581 121.333 119.800 -0.080 0.000 2.170 761 Q HA -0.176 4.164 4.340 0.000 0.000 0.203 761 Q C 2.154 178.059 176.000 -0.158 0.000 0.976 761 Q CA 1.569 57.315 55.803 -0.096 0.000 0.858 761 Q CB -0.608 28.072 28.738 -0.098 0.000 0.907 761 Q HN 0.369 nan 8.270 nan 0.000 0.433 762 c N 0.076 118.473 118.600 -0.337 0.000 2.435 762 c HA -0.021 4.549 4.570 0.000 0.000 0.279 762 c C 2.039 176.111 174.090 -0.030 0.000 1.321 762 c CA 0.270 56.393 56.329 -0.343 0.000 1.752 762 c CB -1.240 40.874 42.510 -0.661 0.000 1.959 762 c HN 0.529 nan 8.230 nan 0.000 0.500 763 F N 1.686 121.593 119.950 -0.071 0.000 2.727 763 F HA 0.227 4.754 4.527 0.000 0.000 0.302 763 F C 1.712 177.497 175.800 -0.026 0.000 1.097 763 F CA 0.501 58.482 58.000 -0.031 0.000 1.330 763 F CB -0.966 38.024 39.000 -0.016 0.000 1.084 763 F HN 0.252 nan 8.300 nan 0.000 0.578 764 S N 0.309 116.091 115.700 0.137 0.000 3.561 764 S HA -0.228 4.242 4.470 0.000 0.000 0.318 764 S C 0.131 174.777 174.600 0.077 0.000 1.181 764 S CA 0.080 58.325 58.200 0.076 0.000 0.916 764 S CB -2.479 60.755 63.200 0.056 0.000 0.966 764 S HN 0.260 nan 8.310 nan 0.000 0.550 765 L N 2.168 123.454 121.223 0.105 0.000 2.315 765 L HA 0.406 4.746 4.340 0.000 0.000 0.283 765 L C -1.353 175.558 176.870 0.069 0.000 1.089 765 L CA -1.485 53.406 54.840 0.085 0.000 0.833 765 L CB 0.201 42.324 42.059 0.106 0.000 1.170 765 L HN 0.068 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.053 0.000 0.800 766 P CB 0.000 31.722 31.700 0.037 0.000 0.726