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 3eio_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.645 174.600 0.074 0.000 1.055 39 S CA 0.000 58.238 58.200 0.063 0.000 1.107 39 S CB 0.000 63.241 63.200 0.068 0.000 0.593 40 R N 2.019 122.559 120.500 0.068 0.000 1.198 40 R HA -0.124 4.168 4.340 -0.080 0.000 0.414 40 R C 0.157 176.503 176.300 0.076 0.000 1.352 40 R CA 1.114 57.258 56.100 0.073 0.000 1.314 40 R CB -0.256 30.089 30.300 0.076 0.000 3.677 40 R HN 0.782 nan 8.270 nan 0.000 0.487 41 K N 1.588 122.038 120.400 0.084 0.000 2.140 41 K HA 0.297 4.569 4.320 -0.080 0.000 0.237 41 K C 0.304 176.961 176.600 0.095 0.000 1.045 41 K CA 0.172 56.513 56.287 0.090 0.000 0.896 41 K CB 0.543 33.105 32.500 0.104 0.000 1.122 41 K HN 0.673 nan 8.250 nan 0.000 0.503 42 T N -2.891 111.727 114.554 0.107 0.000 2.922 42 T HA 0.248 4.550 4.350 -0.080 0.000 0.281 42 T C -0.556 174.268 174.700 0.207 0.000 1.005 42 T CA -0.744 61.430 62.100 0.124 0.000 0.982 42 T CB 0.424 69.352 68.868 0.099 0.000 1.158 42 T HN 0.482 nan 8.240 nan 0.000 0.566 43 Y N 2.370 122.735 120.300 0.108 0.000 2.452 43 Y HA 0.406 4.908 4.550 -0.080 0.000 0.348 43 Y C 0.818 176.878 175.900 0.266 0.000 0.985 43 Y CA -0.474 57.739 58.100 0.188 0.000 1.214 43 Y CB -0.093 38.440 38.460 0.120 0.000 1.136 43 Y HN 1.010 nan 8.280 nan 0.000 0.523 44 T N 2.539 117.088 114.554 -0.009 0.000 2.862 44 T HA 0.143 4.446 4.350 -0.080 0.000 0.276 44 T C 0.966 175.599 174.700 -0.112 0.000 0.974 44 T CA -0.679 61.476 62.100 0.093 0.000 0.966 44 T CB 1.177 70.063 68.868 0.031 0.000 1.072 44 T HN 0.689 nan 8.240 nan 0.000 0.538 45 L N 0.948 121.956 121.223 -0.357 0.000 2.017 45 L HA 0.006 4.298 4.340 -0.080 0.000 0.208 45 L C 2.639 179.355 176.870 -0.258 0.000 1.073 45 L CA 2.213 56.668 54.840 -0.642 0.000 0.745 45 L CB -1.580 39.971 42.059 -0.847 0.000 0.894 45 L HN 0.955 nan 8.230 nan 0.000 0.432 46 T N -0.525 113.909 114.554 -0.200 0.000 2.759 46 T HA -0.167 4.135 4.350 -0.080 0.000 0.269 46 T C 1.502 176.098 174.700 -0.173 0.000 1.042 46 T CA 1.447 63.455 62.100 -0.154 0.000 1.140 46 T CB -0.418 68.384 68.868 -0.110 0.000 0.864 46 T HN 0.412 nan 8.240 nan 0.000 0.455 47 D N 0.077 120.341 120.400 -0.225 0.000 2.144 47 D HA -0.088 4.505 4.640 -0.080 0.000 0.199 47 D C 1.740 177.914 176.300 -0.210 0.000 0.984 47 D CA 0.988 54.814 54.000 -0.291 0.000 0.834 47 D CB -0.292 40.246 40.800 -0.436 0.000 0.955 47 D HN 0.423 nan 8.370 nan 0.000 0.465 48 Y N 1.556 121.656 120.300 -0.333 0.000 2.153 48 Y HA -0.068 4.435 4.550 -0.078 0.000 0.289 48 Y C 2.170 178.063 175.900 -0.012 0.000 1.127 48 Y CA 1.138 59.212 58.100 -0.043 0.000 1.131 48 Y CB -0.628 37.873 38.460 0.068 0.000 0.995 48 Y HN -0.124 nan 8.280 nan 0.000 0.505 49 L N 0.035 121.060 121.223 -0.330 0.000 2.201 49 L HA -0.140 4.152 4.340 -0.080 0.000 0.212 49 L C 1.705 178.452 176.870 -0.205 0.000 1.105 49 L CA 1.176 55.799 54.840 -0.361 0.000 0.775 49 L CB -0.399 41.515 42.059 -0.241 0.000 0.913 49 L HN 0.063 nan 8.230 nan 0.000 0.440 50 K N -0.155 120.150 120.400 -0.159 0.000 2.373 50 K HA 0.113 4.385 4.320 -0.080 0.000 0.202 50 K C 0.016 176.556 176.600 -0.100 0.000 1.025 50 K CA -0.180 56.038 56.287 -0.115 0.000 1.115 50 K CB 0.053 32.488 32.500 -0.107 0.000 0.858 50 K HN 0.098 nan 8.250 nan 0.000 0.525 51 N N 1.145 119.795 118.700 -0.084 0.000 2.725 51 N HA -0.188 4.504 4.740 -0.080 0.000 0.251 51 N C 0.679 176.157 175.510 -0.054 0.000 1.031 51 N CA 0.905 53.944 53.050 -0.018 0.000 0.720 51 N CB -0.879 37.598 38.487 -0.016 0.000 0.930 51 N HN 0.394 nan 8.380 nan 0.000 0.543 52 T N -3.987 110.468 114.554 -0.165 0.000 2.867 52 T HA -0.164 4.138 4.350 -0.080 0.000 0.268 52 T C 0.508 174.966 174.700 -0.403 0.000 1.057 52 T CA 1.181 63.065 62.100 -0.360 0.000 1.136 52 T CB -0.130 68.375 68.868 -0.603 0.000 0.874 52 T HN 0.319 nan 8.240 nan 0.000 0.466 53 Y N 1.680 122.076 120.300 0.160 0.000 2.402 53 Y HA 0.653 5.155 4.550 -0.080 0.000 0.332 53 Y C 0.309 176.322 175.900 0.188 0.000 0.960 53 Y CA -1.805 56.414 58.100 0.197 0.000 1.228 53 Y CB 0.886 39.526 38.460 0.300 0.000 1.120 53 Y HN 0.050 nan 8.280 nan 0.000 0.491 54 R N 3.142 123.793 120.500 0.253 0.000 2.393 54 R HA 0.592 4.884 4.340 -0.080 0.000 0.310 54 R C -1.290 175.122 176.300 0.186 0.000 0.968 54 R CA -0.534 55.679 56.100 0.188 0.000 0.867 54 R CB 0.770 31.138 30.300 0.113 0.000 1.124 54 R HN 0.743 nan 8.270 nan 0.000 0.450 55 L N 4.457 125.793 121.223 0.187 0.000 2.410 55 L HA 0.232 4.525 4.340 -0.080 0.000 0.273 55 L C 0.362 177.322 176.870 0.150 0.000 1.144 55 L CA 0.159 55.110 54.840 0.185 0.000 0.863 55 L CB 0.774 42.956 42.059 0.205 0.000 1.140 55 L HN 0.536 nan 8.230 nan 0.000 0.463 56 K N 3.815 124.302 120.400 0.146 0.000 2.174 56 K HA 0.623 4.895 4.320 -0.080 0.000 0.275 56 K C -0.658 176.016 176.600 0.123 0.000 1.015 56 K CA -0.450 55.905 56.287 0.113 0.000 0.933 56 K CB 1.201 33.763 32.500 0.102 0.000 1.025 56 K HN 0.392 nan 8.250 nan 0.000 0.463 57 L N 1.385 122.615 121.223 0.011 0.000 2.260 57 L HA 0.520 4.812 4.340 -0.080 0.000 0.265 57 L C -0.985 175.655 176.870 -0.384 0.000 1.015 57 L CA -1.123 53.611 54.840 -0.176 0.000 0.826 57 L CB 0.799 42.833 42.059 -0.041 0.000 1.373 57 L HN 0.525 nan 8.230 nan 0.000 0.450 58 Y N 0.160 119.960 120.300 -0.834 0.000 2.517 58 Y HA 0.338 4.840 4.550 -0.080 0.000 0.346 58 Y C -0.854 174.879 175.900 -0.277 0.000 1.113 58 Y CA -0.505 57.291 58.100 -0.507 0.000 1.295 58 Y CB 1.294 39.294 38.460 -0.767 0.000 1.094 58 Y HN 0.435 nan 8.280 nan 0.000 0.608 59 S N 5.949 121.560 115.700 -0.148 0.000 2.411 59 S HA 0.544 4.966 4.470 -0.080 0.000 0.294 59 S C -0.615 173.931 174.600 -0.090 0.000 1.115 59 S CA -0.526 57.625 58.200 -0.081 0.000 1.071 59 S CB -0.150 63.003 63.200 -0.077 0.000 0.967 59 S HN 0.535 nan 8.310 nan 0.000 0.488 60 L N 1.208 122.359 121.223 -0.120 0.000 2.303 60 L HA 0.782 5.074 4.340 -0.080 0.000 0.266 60 L C -0.053 176.717 176.870 -0.166 0.000 1.011 60 L CA -0.869 53.856 54.840 -0.192 0.000 0.818 60 L CB 0.753 42.413 42.059 -0.664 0.000 1.326 60 L HN 0.292 nan 8.230 nan 0.000 0.435 61 R N 0.728 121.167 120.500 -0.102 0.000 2.468 61 R HA 0.286 4.578 4.340 -0.080 0.000 0.302 61 R C -1.846 174.491 176.300 0.063 0.000 1.041 61 R CA -0.414 55.685 56.100 -0.001 0.000 0.899 61 R CB 0.947 31.272 30.300 0.043 0.000 1.167 61 R HN 0.836 nan 8.270 nan 0.000 0.483 62 W N 5.245 126.653 121.300 0.180 0.000 2.322 62 W HA 0.066 4.678 4.660 -0.080 0.000 0.328 62 W C 1.795 178.411 176.519 0.161 0.000 1.395 62 W CA -0.291 57.177 57.345 0.206 0.000 1.267 62 W CB 0.498 30.069 29.460 0.186 0.000 1.259 62 W HN 0.587 nan 8.180 nan 0.000 0.560 63 I N 0.455 121.266 120.570 0.402 0.000 4.057 63 I HA 0.286 4.408 4.170 -0.080 0.000 0.334 63 I C 0.670 176.941 176.117 0.258 0.000 1.308 63 I CA -0.059 61.388 61.300 0.245 0.000 1.125 63 I CB -0.134 37.939 38.000 0.122 0.000 1.034 63 I HN 0.269 nan 8.210 nan 0.000 0.401 64 S N -0.514 115.395 115.700 0.349 0.000 2.755 64 S HA 0.253 4.675 4.470 -0.080 0.000 0.286 64 S C -0.120 174.652 174.600 0.286 0.000 1.207 64 S CA -0.218 58.162 58.200 0.301 0.000 0.892 64 S CB 1.397 64.793 63.200 0.326 0.000 1.240 64 S HN 0.055 nan 8.310 nan 0.000 0.525 65 D N -0.642 119.891 120.400 0.223 0.000 2.347 65 D HA 0.172 4.764 4.640 -0.080 0.000 0.215 65 D C 0.874 177.071 176.300 -0.172 0.000 0.976 65 D CA 1.155 55.112 54.000 -0.071 0.000 0.884 65 D CB -0.040 40.631 40.800 -0.216 0.000 0.915 65 D HN 0.611 nan 8.370 nan 0.000 0.526 66 H N -1.585 117.654 119.070 0.281 0.000 3.241 66 H HA 0.454 4.962 4.556 -0.079 0.000 0.260 66 H C -0.069 175.408 175.328 0.248 0.000 1.084 66 H CA -0.230 55.983 56.048 0.276 0.000 1.203 66 H CB 0.602 30.482 29.762 0.197 0.000 1.524 66 H HN 0.015 nan 8.280 nan 0.000 0.521 67 E N 0.461 120.942 120.200 0.468 0.000 2.369 67 E HA 0.437 4.739 4.350 -0.080 0.000 0.270 67 E C -1.428 175.401 176.600 0.382 0.000 0.909 67 E CA -1.311 55.267 56.400 0.297 0.000 0.775 67 E CB 2.979 32.780 29.700 0.168 0.000 1.270 67 E HN 0.197 nan 8.360 nan 0.000 0.445 68 Y N -1.227 119.119 120.300 0.078 0.000 2.588 68 Y HA 0.611 5.113 4.550 -0.079 0.000 0.343 68 Y C -1.635 174.268 175.900 0.006 0.000 1.065 68 Y CA -1.335 56.700 58.100 -0.109 0.000 1.038 68 Y CB 0.810 38.842 38.460 -0.712 0.000 1.297 68 Y HN 0.337 nan 8.280 nan 0.000 0.467 69 L N 2.966 124.316 121.223 0.212 0.000 2.325 69 L HA 0.410 4.702 4.340 -0.080 0.000 0.279 69 L C -1.309 175.767 176.870 0.344 0.000 1.054 69 L CA -0.982 53.966 54.840 0.180 0.000 0.804 69 L CB 1.366 43.436 42.059 0.019 0.000 1.200 69 L HN 0.770 nan 8.230 nan 0.000 0.436 70 Y N 3.137 123.563 120.300 0.211 0.000 2.402 70 Y HA 0.268 4.770 4.550 -0.080 0.000 0.325 70 Y C -0.103 175.839 175.900 0.070 0.000 1.009 70 Y CA -1.234 56.921 58.100 0.091 0.000 1.278 70 Y CB 0.996 39.522 38.460 0.111 0.000 1.105 70 Y HN 0.433 nan 8.280 nan 0.000 0.476 71 K N 4.427 124.645 120.400 -0.302 0.000 2.395 71 K HA -0.002 4.270 4.320 -0.080 0.000 0.283 71 K C 0.111 176.396 176.600 -0.525 0.000 1.068 71 K CA 0.510 56.658 56.287 -0.232 0.000 1.039 71 K CB 0.363 32.798 32.500 -0.107 0.000 0.924 71 K HN 0.797 nan 8.250 nan 0.000 0.468 72 Q N 4.016 123.636 119.800 -0.301 0.000 2.553 72 Q HA 0.006 4.298 4.340 -0.080 0.000 0.395 72 Q C -0.292 175.634 176.000 -0.123 0.000 0.971 72 Q CA 0.038 55.681 55.803 -0.266 0.000 1.090 72 Q CB 0.183 28.868 28.738 -0.088 0.000 1.328 72 Q HN 0.853 nan 8.270 nan 0.000 0.413 73 E N -0.546 119.584 120.200 -0.116 0.000 4.931 73 E HA -0.414 3.888 4.350 -0.080 0.000 0.176 73 E C 0.673 177.253 176.600 -0.033 0.000 1.336 73 E CA 2.397 58.761 56.400 -0.060 0.000 2.234 73 E CB -0.695 28.974 29.700 -0.051 0.000 1.887 73 E HN 0.688 nan 8.360 nan 0.000 0.354 74 N N 0.846 119.527 118.700 -0.032 0.000 2.420 74 N HA 0.003 4.696 4.740 -0.080 0.000 0.185 74 N C 0.431 175.924 175.510 -0.028 0.000 1.033 74 N CA 1.410 54.446 53.050 -0.023 0.000 0.879 74 N CB -0.214 38.262 38.487 -0.018 0.000 1.071 74 N HN 0.272 nan 8.380 nan 0.000 0.437 75 N N -0.270 118.414 118.700 -0.027 0.000 2.405 75 N HA 0.416 5.109 4.740 -0.080 0.000 0.285 75 N C -1.435 174.069 175.510 -0.011 0.000 1.262 75 N CA -0.709 52.325 53.050 -0.027 0.000 0.773 75 N CB 2.005 40.477 38.487 -0.025 0.000 1.490 75 N HN 0.067 nan 8.380 nan 0.000 0.486 76 I N 1.177 121.752 120.570 0.009 0.000 2.362 76 I HA 0.385 4.507 4.170 -0.080 0.000 0.289 76 I C -1.214 174.977 176.117 0.124 0.000 0.994 76 I CA -0.793 60.543 61.300 0.059 0.000 1.158 76 I CB 0.449 38.476 38.000 0.045 0.000 1.315 76 I HN 0.387 nan 8.210 nan 0.000 0.451 77 L N 7.314 128.619 121.223 0.137 0.000 2.358 77 L HA 0.624 4.916 4.340 -0.080 0.000 0.268 77 L C -0.390 176.539 176.870 0.098 0.000 1.032 77 L CA -0.989 53.902 54.840 0.084 0.000 0.805 77 L CB 1.626 43.665 42.059 -0.033 0.000 1.253 77 L HN 0.324 nan 8.230 nan 0.000 0.452 78 V N 1.047 120.945 119.914 -0.027 0.000 2.555 78 V HA 0.552 4.624 4.120 -0.080 0.000 0.302 78 V C -1.142 174.800 176.094 -0.253 0.000 1.038 78 V CA -0.244 62.036 62.300 -0.034 0.000 0.887 78 V CB 1.648 33.513 31.823 0.069 0.000 0.991 78 V HN 0.493 nan 8.190 nan 0.000 0.434 79 F N 4.934 124.649 119.950 -0.391 0.000 2.508 79 F HA 0.501 4.981 4.527 -0.079 0.000 0.325 79 F C 0.374 175.896 175.800 -0.464 0.000 1.090 79 F CA -0.575 57.106 58.000 -0.532 0.000 0.945 79 F CB 1.859 40.225 39.000 -1.056 0.000 1.156 79 F HN 0.525 nan 8.300 nan 0.000 0.463 80 N N 2.188 120.849 118.700 -0.066 0.000 2.439 80 N HA 0.243 4.935 4.740 -0.080 0.000 0.249 80 N C 0.505 175.963 175.510 -0.086 0.000 1.003 80 N CA 0.132 53.163 53.050 -0.031 0.000 0.942 80 N CB 1.738 40.261 38.487 0.060 0.000 1.115 80 N HN 0.831 nan 8.380 nan 0.000 0.505 81 A N 3.902 126.625 122.820 -0.162 0.000 1.908 81 A HA -0.225 4.048 4.320 -0.080 0.000 0.218 81 A C 1.913 179.239 177.584 -0.430 0.000 1.181 81 A CA 1.804 53.660 52.037 -0.301 0.000 0.627 81 A CB -0.545 18.090 19.000 -0.608 0.000 0.818 81 A HN 0.822 nan 8.150 nan 0.000 0.445 82 E N -1.021 118.877 120.200 -0.502 0.000 2.049 82 E HA -0.221 4.082 4.350 -0.080 0.000 0.198 82 E C 1.427 177.738 176.600 -0.481 0.000 1.007 82 E CA 2.223 58.328 56.400 -0.491 0.000 0.809 82 E CB -0.350 28.887 29.700 -0.772 0.000 0.749 82 E HN 0.747 nan 8.360 nan 0.000 0.450 83 Y N -2.510 117.800 120.300 0.016 0.000 2.498 83 Y HA 0.410 4.912 4.550 -0.080 0.000 0.259 83 Y C 1.688 177.600 175.900 0.021 0.000 1.086 83 Y CA 0.219 58.331 58.100 0.020 0.000 1.287 83 Y CB 0.800 39.273 38.460 0.021 0.000 1.146 83 Y HN 0.202 nan 8.280 nan 0.000 0.523 84 G N 0.748 109.635 108.800 0.144 0.000 2.175 84 G HA2 -0.294 3.618 3.960 -0.080 0.000 0.244 84 G HA3 -0.294 3.618 3.960 -0.080 0.000 0.244 84 G C -0.016 175.015 174.900 0.218 0.000 0.982 84 G CA 0.046 45.248 45.100 0.170 0.000 0.641 84 G HN 0.435 nan 8.290 nan 0.000 0.527 85 N N 0.890 119.677 118.700 0.144 0.000 2.508 85 N HA 0.535 5.227 4.740 -0.080 0.000 0.264 85 N C 0.177 175.608 175.510 -0.132 0.000 1.216 85 N CA 0.694 53.762 53.050 0.031 0.000 0.943 85 N CB 1.548 40.051 38.487 0.026 0.000 1.113 85 N HN 0.912 nan 8.380 nan 0.000 0.447 86 S N 0.047 115.560 115.700 -0.312 0.000 2.709 86 S HA 0.801 5.224 4.470 -0.080 0.000 0.302 86 S C -0.778 173.623 174.600 -0.330 0.000 1.127 86 S CA -0.774 57.062 58.200 -0.606 0.000 0.905 86 S CB 1.529 63.926 63.200 -1.338 0.000 1.151 86 S HN 0.627 nan 8.310 nan 0.000 0.510 87 S N -0.108 115.410 115.700 -0.302 0.000 2.537 87 S HA 0.502 4.924 4.470 -0.080 0.000 0.270 87 S C -1.043 173.490 174.600 -0.110 0.000 1.142 87 S CA -0.704 57.403 58.200 -0.156 0.000 0.870 87 S CB 1.603 64.746 63.200 -0.095 0.000 1.112 87 S HN 0.747 nan 8.310 nan 0.000 0.466 88 V N 3.059 122.928 119.914 -0.075 0.000 2.572 88 V HA 0.154 4.226 4.120 -0.080 0.000 0.291 88 V C 0.436 176.537 176.094 0.011 0.000 1.039 88 V CA 0.533 62.814 62.300 -0.032 0.000 1.055 88 V CB 0.508 32.299 31.823 -0.053 0.000 0.969 88 V HN 0.950 nan 8.190 nan 0.000 0.482 89 F N 5.363 125.271 119.950 -0.070 0.000 2.505 89 F HA 0.453 4.932 4.527 -0.079 0.000 0.289 89 F C 0.286 176.050 175.800 -0.060 0.000 1.101 89 F CA 0.295 58.266 58.000 -0.049 0.000 1.446 89 F CB 0.646 39.638 39.000 -0.014 0.000 1.123 89 F HN 0.360 nan 8.300 nan 0.000 0.564 90 L N 0.936 122.199 121.223 0.066 0.000 2.505 90 L HA 0.371 4.663 4.340 -0.080 0.000 0.266 90 L C -0.924 175.893 176.870 -0.089 0.000 0.954 90 L CA -0.508 54.298 54.840 -0.056 0.000 0.852 90 L CB 1.436 43.509 42.059 0.023 0.000 1.282 90 L HN -0.214 nan 8.230 nan 0.000 0.403 91 E N 1.251 121.359 120.200 -0.153 0.000 2.404 91 E HA 0.128 4.430 4.350 -0.080 0.000 0.261 91 E C 0.739 177.259 176.600 -0.134 0.000 1.074 91 E CA 0.320 56.639 56.400 -0.135 0.000 0.917 91 E CB 0.712 30.318 29.700 -0.156 0.000 0.965 91 E HN 0.648 nan 8.360 nan 0.000 0.433 92 N N -0.074 118.573 118.700 -0.089 0.000 2.396 92 N HA -0.150 4.542 4.740 -0.080 0.000 0.180 92 N C 0.871 176.338 175.510 -0.072 0.000 1.028 92 N CA 1.141 54.153 53.050 -0.063 0.000 0.893 92 N CB -0.165 38.298 38.487 -0.039 0.000 0.967 92 N HN 0.264 nan 8.380 nan 0.000 0.440 93 S N -2.069 113.568 115.700 -0.105 0.000 2.575 93 S HA 0.111 4.533 4.470 -0.080 0.000 0.215 93 S C 1.321 175.805 174.600 -0.193 0.000 0.966 93 S CA -0.136 58.000 58.200 -0.108 0.000 0.911 93 S CB -0.606 62.540 63.200 -0.089 0.000 0.780 93 S HN 0.192 nan 8.310 nan 0.000 0.514 94 T N 1.709 116.062 114.554 -0.335 0.000 2.803 94 T HA 0.003 4.305 4.350 -0.080 0.000 0.269 94 T C 0.179 174.387 174.700 -0.819 0.000 1.052 94 T CA 1.231 62.941 62.100 -0.651 0.000 1.136 94 T CB -0.424 67.847 68.868 -0.994 0.000 0.864 94 T HN 0.573 nan 8.240 nan 0.000 0.467 95 F N 0.726 120.595 119.950 -0.135 0.000 2.805 95 F HA 0.358 4.838 4.527 -0.080 0.000 0.317 95 F C 1.128 176.936 175.800 0.013 0.000 1.146 95 F CA -1.399 56.554 58.000 -0.079 0.000 1.265 95 F CB 0.066 39.054 39.000 -0.018 0.000 0.992 95 F HN -0.060 nan 8.300 nan 0.000 0.511 96 D N 1.156 121.602 120.400 0.076 0.000 2.087 96 D HA -0.180 4.412 4.640 -0.080 0.000 0.192 96 D C 1.406 177.751 176.300 0.075 0.000 0.993 96 D CA 1.478 55.514 54.000 0.060 0.000 0.828 96 D CB -0.172 40.630 40.800 0.003 0.000 0.968 96 D HN 0.507 nan 8.370 nan 0.000 0.448 97 E N 0.308 120.542 120.200 0.057 0.000 2.452 97 E HA -0.016 4.286 4.350 -0.080 0.000 0.293 97 E C 0.602 177.269 176.600 0.112 0.000 1.535 97 E CA -0.273 56.157 56.400 0.051 0.000 1.816 97 E CB -0.247 29.462 29.700 0.015 0.000 1.494 97 E HN 0.098 nan 8.360 nan 0.000 0.464 98 F N 1.446 121.370 119.950 -0.044 0.000 2.317 98 F HA 0.260 4.739 4.527 -0.079 0.000 0.290 98 F C 1.762 177.427 175.800 -0.224 0.000 1.075 98 F CA 1.186 59.142 58.000 -0.073 0.000 1.380 98 F CB 0.135 39.100 39.000 -0.058 0.000 1.093 98 F HN 0.428 nan 8.300 nan 0.000 0.524 99 G N -0.375 108.384 108.800 -0.069 0.000 2.175 99 G HA2 -0.214 3.699 3.960 -0.080 0.000 0.244 99 G HA3 -0.214 3.699 3.960 -0.080 0.000 0.244 99 G C 0.088 174.591 174.900 -0.662 0.000 0.982 99 G CA 0.305 45.194 45.100 -0.352 0.000 0.641 99 G HN 0.526 nan 8.290 nan 0.000 0.527 100 H N -0.001 118.801 119.070 -0.447 0.000 2.600 100 H HA 0.639 5.147 4.556 -0.080 0.000 0.357 100 H C -0.350 174.679 175.328 -0.499 0.000 1.106 100 H CA -0.052 55.638 56.048 -0.597 0.000 1.193 100 H CB 1.739 30.779 29.762 -1.203 0.000 1.594 100 H HN 0.170 nan 8.280 nan 0.000 0.526 101 S N 2.676 118.288 115.700 -0.146 0.000 2.528 101 S HA 0.299 4.721 4.470 -0.080 0.000 0.277 101 S C 0.250 174.778 174.600 -0.121 0.000 1.297 101 S CA -0.657 57.479 58.200 -0.107 0.000 1.052 101 S CB -0.250 62.921 63.200 -0.049 0.000 0.917 101 S HN 0.404 nan 8.310 nan 0.000 0.492 102 I N 5.722 126.233 120.570 -0.099 0.000 2.315 102 I HA 0.242 4.364 4.170 -0.080 0.000 0.291 102 I C 1.335 177.444 176.117 -0.014 0.000 1.006 102 I CA -0.509 60.758 61.300 -0.056 0.000 1.265 102 I CB 1.113 39.096 38.000 -0.028 0.000 1.387 102 I HN 0.769 nan 8.210 nan 0.000 0.475 103 N N 4.274 122.955 118.700 -0.031 0.000 2.299 103 N HA 0.040 4.732 4.740 -0.080 0.000 0.187 103 N C -0.121 175.350 175.510 -0.065 0.000 1.099 103 N CA 0.307 53.306 53.050 -0.086 0.000 0.867 103 N CB 0.720 39.085 38.487 -0.202 0.000 0.974 103 N HN 0.602 nan 8.380 nan 0.000 0.477 104 D N -1.081 119.333 120.400 0.023 0.000 2.755 104 D HA 0.246 4.838 4.640 -0.080 0.000 0.277 104 D C -1.706 174.701 176.300 0.178 0.000 1.261 104 D CA -0.402 53.619 54.000 0.034 0.000 0.759 104 D CB 1.021 41.782 40.800 -0.065 0.000 1.279 104 D HN 0.082 nan 8.370 nan 0.000 0.420 105 Y N -1.405 118.948 120.300 0.089 0.000 2.655 105 Y HA 0.762 5.265 4.550 -0.079 0.000 0.336 105 Y C -1.187 174.827 175.900 0.191 0.000 1.154 105 Y CA -1.004 57.184 58.100 0.147 0.000 1.055 105 Y CB 1.468 40.007 38.460 0.132 0.000 1.295 105 Y HN 0.172 nan 8.280 nan 0.000 0.465 106 S N 1.231 117.150 115.700 0.366 0.000 2.614 106 S HA 0.661 5.083 4.470 -0.080 0.000 0.275 106 S C -1.504 173.421 174.600 0.542 0.000 1.161 106 S CA -0.577 57.834 58.200 0.352 0.000 0.969 106 S CB 0.388 63.814 63.200 0.377 0.000 1.059 106 S HN 0.687 nan 8.310 nan 0.000 0.482 107 I N 4.218 124.989 120.570 0.335 0.000 2.396 107 I HA 0.296 4.418 4.170 -0.080 0.000 0.292 107 I C 0.933 176.895 176.117 -0.257 0.000 0.999 107 I CA -0.526 60.873 61.300 0.166 0.000 1.310 107 I CB 1.741 39.815 38.000 0.123 0.000 1.404 107 I HN 0.765 nan 8.210 nan 0.000 0.496 108 S N 5.369 120.596 115.700 -0.787 0.000 2.568 108 S HA 0.125 4.547 4.470 -0.080 0.000 0.282 108 S C -1.862 172.453 174.600 -0.476 0.000 1.338 108 S CA -0.916 56.455 58.200 -1.382 0.000 1.045 108 S CB 0.605 62.952 63.200 -1.423 0.000 0.873 108 S HN 0.427 nan 8.310 nan 0.000 0.516 109 P HA -0.137 nan 4.420 nan 0.000 0.217 109 P C 0.764 178.034 177.300 -0.050 0.000 1.148 109 P CA 1.507 64.549 63.100 -0.097 0.000 0.828 109 P CB -0.144 31.527 31.700 -0.049 0.000 0.783 110 D N -1.937 118.430 120.400 -0.055 0.000 2.336 110 D HA 0.076 4.668 4.640 -0.080 0.000 0.229 110 D C 1.383 177.680 176.300 -0.004 0.000 1.061 110 D CA 0.513 54.517 54.000 0.007 0.000 0.875 110 D CB -1.197 39.648 40.800 0.075 0.000 0.904 110 D HN 0.194 nan 8.370 nan 0.000 0.525 111 G N 0.494 109.281 108.800 -0.021 0.000 2.175 111 G HA2 -0.407 3.505 3.960 -0.080 0.000 0.265 111 G HA3 -0.407 3.505 3.960 -0.080 0.000 0.265 111 G C 0.919 175.797 174.900 -0.036 0.000 0.979 111 G CA 0.667 45.799 45.100 0.053 0.000 0.663 111 G HN 0.492 nan 8.290 nan 0.000 0.533 112 Q N -1.603 118.087 119.800 -0.185 0.000 2.398 112 Q HA 0.389 4.681 4.340 -0.080 0.000 0.204 112 Q C 0.279 175.745 176.000 -0.890 0.000 0.932 112 Q CA 0.601 56.080 55.803 -0.539 0.000 0.916 112 Q CB 0.471 28.791 28.738 -0.697 0.000 1.024 112 Q HN 0.584 nan 8.270 nan 0.000 0.504 113 F N -0.524 119.355 119.950 -0.118 0.000 2.613 113 F HA 0.533 5.013 4.527 -0.080 0.000 0.314 113 F C -0.705 175.185 175.800 0.148 0.000 1.075 113 F CA -1.145 56.868 58.000 0.020 0.000 0.945 113 F CB 1.766 40.802 39.000 0.061 0.000 1.310 113 F HN -0.231 nan 8.300 nan 0.000 0.467 114 I N 2.476 123.392 120.570 0.577 0.000 2.499 114 I HA 0.418 4.540 4.170 -0.080 0.000 0.288 114 I C -1.734 174.755 176.117 0.619 0.000 1.048 114 I CA -0.981 60.662 61.300 0.572 0.000 1.062 114 I CB 1.563 39.865 38.000 0.503 0.000 1.238 114 I HN 0.497 nan 8.210 nan 0.000 0.426 115 L N 8.409 130.038 121.223 0.676 0.000 2.290 115 L HA 0.488 4.780 4.340 -0.080 0.000 0.284 115 L C -1.233 175.873 176.870 0.393 0.000 1.078 115 L CA 0.090 55.217 54.840 0.478 0.000 0.815 115 L CB 0.879 43.139 42.059 0.335 0.000 1.162 115 L HN 0.447 nan 8.230 nan 0.000 0.435 116 L N 5.255 126.667 121.223 0.315 0.000 2.287 116 L HA 0.497 4.789 4.340 -0.080 0.000 0.287 116 L C -0.119 176.892 176.870 0.235 0.000 1.022 116 L CA -0.432 54.555 54.840 0.244 0.000 0.814 116 L CB 1.473 43.622 42.059 0.150 0.000 1.217 116 L HN 0.623 nan 8.230 nan 0.000 0.420 117 E N 4.031 124.307 120.200 0.127 0.000 2.156 117 E HA 0.439 4.741 4.350 -0.080 0.000 0.279 117 E C -1.575 174.986 176.600 -0.065 0.000 0.965 117 E CA -0.501 55.800 56.400 -0.166 0.000 0.789 117 E CB 1.057 30.722 29.700 -0.058 0.000 1.098 117 E HN 0.451 nan 8.360 nan 0.000 0.397 118 Y N 1.612 121.683 120.300 -0.382 0.000 2.715 118 Y HA 0.451 4.953 4.550 -0.080 0.000 0.331 118 Y C -0.121 175.614 175.900 -0.275 0.000 1.197 118 Y CA -1.663 56.253 58.100 -0.306 0.000 1.079 118 Y CB 0.462 38.676 38.460 -0.411 0.000 1.298 118 Y HN 0.492 nan 8.280 nan 0.000 0.477 119 N N -0.292 118.353 118.700 -0.091 0.000 2.740 119 N HA -0.295 4.397 4.740 -0.080 0.000 0.248 119 N C -1.077 174.362 175.510 -0.118 0.000 1.062 119 N CA 0.951 53.915 53.050 -0.143 0.000 0.704 119 N CB -1.506 36.792 38.487 -0.316 0.000 0.968 119 N HN 0.849 nan 8.380 nan 0.000 0.547 120 Y N 0.174 120.369 120.300 -0.176 0.000 2.632 120 Y HA 0.277 4.779 4.550 -0.080 0.000 0.329 120 Y C 0.047 175.883 175.900 -0.106 0.000 1.174 120 Y CA 0.053 58.050 58.100 -0.172 0.000 1.469 120 Y CB 0.682 38.997 38.460 -0.242 0.000 1.242 120 Y HN -0.007 nan 8.280 nan 0.000 0.540 121 V N 8.097 127.649 119.914 -0.603 0.000 2.447 121 V HA 0.198 4.271 4.120 -0.080 0.000 0.292 121 V C -0.276 175.432 176.094 -0.643 0.000 1.021 121 V CA -1.412 60.608 62.300 -0.467 0.000 0.850 121 V CB 1.286 32.970 31.823 -0.231 0.000 1.005 121 V HN 0.749 nan 8.190 nan 0.000 0.426 122 K N 3.673 123.691 120.400 -0.636 0.000 2.414 122 K HA 0.213 4.486 4.320 -0.080 0.000 0.272 122 K C 0.423 176.848 176.600 -0.292 0.000 0.993 122 K CA 0.277 56.327 56.287 -0.395 0.000 0.964 122 K CB 1.170 33.623 32.500 -0.077 0.000 0.925 122 K HN 0.812 nan 8.250 nan 0.000 0.487 123 Q N 2.662 122.276 119.800 -0.309 0.000 2.362 123 Q HA 0.183 4.475 4.340 -0.080 0.000 0.190 123 Q C -0.071 175.657 176.000 -0.453 0.000 0.763 123 Q CA -0.440 54.987 55.803 -0.627 0.000 0.681 123 Q CB 0.142 28.337 28.738 -0.905 0.000 2.020 123 Q HN 0.732 nan 8.270 nan 0.000 0.483 124 W N 0.261 121.552 121.300 -0.015 0.000 1.836 124 W HA 0.390 5.002 4.660 -0.079 0.000 0.628 124 W C 1.792 178.295 176.519 -0.026 0.000 1.626 124 W CA -0.688 56.680 57.345 0.038 0.000 1.714 124 W CB -0.162 29.292 29.460 -0.010 0.000 3.166 124 W HN 0.272 nan 8.180 nan 0.000 0.772 125 R N -0.586 120.008 120.500 0.157 0.000 2.096 125 R HA -0.143 4.149 4.340 -0.080 0.000 0.235 125 R C 1.645 177.739 176.300 -0.345 0.000 1.127 125 R CA 1.718 57.731 56.100 -0.145 0.000 0.968 125 R CB -0.330 29.767 30.300 -0.338 0.000 0.861 125 R HN 0.504 nan 8.270 nan 0.000 0.440 126 H N -1.369 117.769 119.070 0.114 0.000 2.800 126 H HA 0.153 4.661 4.556 -0.080 0.000 0.257 126 H C 0.650 176.043 175.328 0.109 0.000 0.967 126 H CA 0.494 56.623 56.048 0.134 0.000 1.192 126 H CB 0.226 30.043 29.762 0.092 0.000 1.441 126 H HN 0.140 nan 8.280 nan 0.000 0.461 127 S N 1.308 116.971 115.700 -0.063 0.000 2.585 127 S HA 0.372 4.794 4.470 -0.080 0.000 0.273 127 S C -0.274 174.163 174.600 -0.271 0.000 1.339 127 S CA -0.429 57.415 58.200 -0.594 0.000 1.028 127 S CB 0.743 63.014 63.200 -1.549 0.000 0.906 127 S HN 0.438 nan 8.310 nan 0.000 0.528 128 Y N -2.333 117.793 120.300 -0.290 0.000 2.741 128 Y HA 0.675 5.177 4.550 -0.080 0.000 0.339 128 Y C -0.715 175.144 175.900 -0.068 0.000 1.226 128 Y CA -0.823 57.118 58.100 -0.264 0.000 1.072 128 Y CB 0.553 38.821 38.460 -0.320 0.000 1.331 128 Y HN 0.917 nan 8.280 nan 0.000 0.453 129 T N -0.120 114.499 114.554 0.108 0.000 2.930 129 T HA 1.021 5.323 4.350 -0.080 0.000 0.290 129 T C -0.544 174.254 174.700 0.163 0.000 1.052 129 T CA -0.126 62.058 62.100 0.140 0.000 1.017 129 T CB 1.713 70.605 68.868 0.040 0.000 1.137 129 T HN 2.034 nan 8.240 nan 0.000 0.511 130 A N 0.819 123.712 122.820 0.123 0.000 2.544 130 A HA 0.715 4.987 4.320 -0.080 0.000 0.291 130 A C -0.575 176.803 177.584 -0.344 0.000 1.055 130 A CA -0.965 50.988 52.037 -0.140 0.000 0.651 130 A CB 0.852 19.755 19.000 -0.162 0.000 1.296 130 A HN 0.900 nan 8.150 nan 0.000 0.431 131 S N -0.667 114.573 115.700 -0.766 0.000 2.651 131 S HA 0.824 5.246 4.470 -0.080 0.000 0.291 131 S C -1.455 172.466 174.600 -1.131 0.000 1.141 131 S CA -0.044 57.617 58.200 -0.897 0.000 1.027 131 S CB 0.622 63.010 63.200 -1.353 0.000 1.043 131 S HN 0.469 nan 8.310 nan 0.000 0.530 132 Y N 0.043 120.106 120.300 -0.395 0.000 2.504 132 Y HA 0.457 4.959 4.550 -0.080 0.000 0.344 132 Y C -0.380 175.557 175.900 0.062 0.000 1.023 132 Y CA -0.925 57.103 58.100 -0.119 0.000 1.020 132 Y CB 1.774 40.116 38.460 -0.197 0.000 1.282 132 Y HN 0.503 nan 8.280 nan 0.000 0.454 133 D N 2.483 123.098 120.400 0.359 0.000 2.527 133 D HA 0.574 5.166 4.640 -0.080 0.000 0.233 133 D C -0.961 175.473 176.300 0.224 0.000 1.063 133 D CA -0.362 53.803 54.000 0.274 0.000 0.880 133 D CB 2.779 43.777 40.800 0.330 0.000 1.457 133 D HN 0.409 nan 8.370 nan 0.000 0.475 134 I N 1.855 122.536 120.570 0.186 0.000 2.389 134 I HA 0.202 4.324 4.170 -0.080 0.000 0.288 134 I C -0.937 175.382 176.117 0.336 0.000 0.999 134 I CA -0.954 60.508 61.300 0.269 0.000 1.129 134 I CB 1.446 39.562 38.000 0.193 0.000 1.288 134 I HN 0.223 nan 8.210 nan 0.000 0.444 135 Y N 6.049 126.511 120.300 0.270 0.000 2.341 135 Y HA 0.239 4.742 4.550 -0.080 0.000 0.340 135 Y C 0.157 176.226 175.900 0.282 0.000 0.997 135 Y CA -0.448 57.801 58.100 0.250 0.000 1.149 135 Y CB 0.748 39.391 38.460 0.305 0.000 1.171 135 Y HN 0.493 nan 8.280 nan 0.000 0.494 136 D N 5.879 126.183 120.400 -0.159 0.000 2.348 136 D HA 0.058 4.650 4.640 -0.080 0.000 0.253 136 D C 0.516 176.480 176.300 -0.560 0.000 1.161 136 D CA 0.330 54.175 54.000 -0.259 0.000 0.876 136 D CB 1.126 41.828 40.800 -0.164 0.000 1.160 136 D HN 0.864 nan 8.370 nan 0.000 0.459 137 L N 3.527 124.479 121.223 -0.452 0.000 2.375 137 L HA 0.032 4.324 4.340 -0.080 0.000 0.215 137 L C 1.815 178.496 176.870 -0.314 0.000 1.108 137 L CA 0.132 54.791 54.840 -0.302 0.000 0.830 137 L CB -0.065 41.878 42.059 -0.194 0.000 0.959 137 L HN 0.361 nan 8.230 nan 0.000 0.457 138 N N 0.357 118.839 118.700 -0.363 0.000 2.424 138 N HA -0.029 4.663 4.740 -0.080 0.000 0.178 138 N C 1.165 176.542 175.510 -0.222 0.000 1.060 138 N CA 0.708 53.598 53.050 -0.267 0.000 0.901 138 N CB 0.344 38.674 38.487 -0.261 0.000 0.979 138 N HN 0.400 nan 8.380 nan 0.000 0.451 139 K N 0.495 120.741 120.400 -0.255 0.000 2.373 139 K HA 0.262 4.534 4.320 -0.080 0.000 0.200 139 K C -0.183 176.269 176.600 -0.247 0.000 1.054 139 K CA -0.265 55.900 56.287 -0.204 0.000 1.065 139 K CB 0.896 33.296 32.500 -0.168 0.000 0.886 139 K HN -0.054 nan 8.250 nan 0.000 0.546 140 R N 1.435 121.719 120.500 -0.361 0.000 3.322 140 R HA -0.212 4.081 4.340 -0.080 0.000 0.253 140 R C -0.531 175.490 176.300 -0.464 0.000 0.987 140 R CA 0.596 56.438 56.100 -0.431 0.000 0.666 140 R CB -1.842 28.370 30.300 -0.147 0.000 1.072 140 R HN 0.278 nan 8.270 nan 0.000 0.447 141 Q N 0.099 119.533 119.800 -0.609 0.000 2.372 141 Q HA 0.544 4.836 4.340 -0.080 0.000 0.273 141 Q C -0.674 175.151 176.000 -0.292 0.000 1.078 141 Q CA -0.705 54.914 55.803 -0.306 0.000 0.806 141 Q CB 1.757 30.395 28.738 -0.168 0.000 1.332 141 Q HN 0.293 nan 8.270 nan 0.000 0.435 142 L N 3.461 124.683 121.223 -0.001 0.000 2.397 142 L HA 0.385 4.678 4.340 -0.080 0.000 0.271 142 L C -0.179 176.713 176.870 0.037 0.000 1.148 142 L CA -0.371 54.535 54.840 0.110 0.000 0.825 142 L CB 0.638 42.748 42.059 0.085 0.000 1.117 142 L HN 0.617 nan 8.230 nan 0.000 0.456 143 I N 1.911 122.520 120.570 0.066 0.000 2.395 143 I HA 0.058 4.180 4.170 -0.080 0.000 0.289 143 I C 1.101 177.237 176.117 0.031 0.000 1.023 143 I CA 0.040 61.368 61.300 0.047 0.000 1.350 143 I CB 1.511 39.549 38.000 0.064 0.000 1.409 143 I HN 0.711 nan 8.210 nan 0.000 0.507 144 T N 0.625 115.188 114.554 0.015 0.000 2.985 144 T HA 0.150 4.452 4.350 -0.080 0.000 0.254 144 T C 0.412 175.109 174.700 -0.004 0.000 1.021 144 T CA -0.397 61.709 62.100 0.010 0.000 0.957 144 T CB 0.056 68.929 68.868 0.009 0.000 1.047 144 T HN 0.653 nan 8.240 nan 0.000 0.511 145 E N 1.457 121.651 120.200 -0.010 0.000 2.222 145 E HA 0.336 4.638 4.350 -0.080 0.000 0.272 145 E C -0.742 175.832 176.600 -0.042 0.000 0.982 145 E CA -0.835 55.551 56.400 -0.024 0.000 0.842 145 E CB 0.793 30.483 29.700 -0.016 0.000 1.144 145 E HN 0.013 nan 8.360 nan 0.000 0.397 146 E N 1.049 121.211 120.200 -0.063 0.000 2.297 146 E HA -0.199 4.103 4.350 -0.080 0.000 0.228 146 E C -0.526 176.000 176.600 -0.123 0.000 1.213 146 E CA 0.697 57.042 56.400 -0.091 0.000 0.712 146 E CB -1.198 28.460 29.700 -0.070 0.000 1.202 146 E HN 0.533 nan 8.360 nan 0.000 0.376 147 R N -0.094 120.327 120.500 -0.132 0.000 2.738 147 R HA 0.283 4.575 4.340 -0.080 0.000 0.268 147 R C 1.248 177.371 176.300 -0.296 0.000 1.062 147 R CA -0.424 55.580 56.100 -0.159 0.000 1.158 147 R CB 0.498 30.736 30.300 -0.103 0.000 1.046 147 R HN 0.145 nan 8.270 nan 0.000 0.493 148 I N 3.633 123.983 120.570 -0.367 0.000 2.648 148 I HA 0.018 4.141 4.170 -0.080 0.000 0.284 148 I C -1.677 174.124 176.117 -0.526 0.000 1.153 148 I CA -1.601 59.306 61.300 -0.655 0.000 1.426 148 I CB 0.376 37.989 38.000 -0.645 0.000 1.381 148 I HN 0.217 nan 8.210 nan 0.000 0.571 149 P HA 0.069 nan 4.420 nan 0.000 0.270 149 P C -0.800 176.281 177.300 -0.365 0.000 1.223 149 P CA -0.321 62.384 63.100 -0.658 0.000 0.785 149 P CB 0.370 31.231 31.700 -1.397 0.000 0.923 150 N N 2.039 120.602 118.700 -0.227 0.000 2.399 150 N HA 0.043 4.735 4.740 -0.080 0.000 0.250 150 N C 0.517 176.071 175.510 0.073 0.000 1.272 150 N CA 0.163 53.149 53.050 -0.106 0.000 0.928 150 N CB -0.313 38.126 38.487 -0.080 0.000 1.158 150 N HN 0.419 nan 8.380 nan 0.000 0.463 151 N N -1.182 117.558 118.700 0.066 0.000 2.776 151 N HA -0.155 4.538 4.740 -0.080 0.000 0.250 151 N C -0.787 174.893 175.510 0.283 0.000 1.112 151 N CA 0.730 53.871 53.050 0.152 0.000 0.733 151 N CB -1.626 36.975 38.487 0.191 0.000 1.097 151 N HN 0.485 nan 8.380 nan 0.000 0.558 152 T N 0.808 115.527 114.554 0.275 0.000 2.930 152 T HA 0.106 4.408 4.350 -0.080 0.000 0.306 152 T C 1.717 176.579 174.700 0.271 0.000 1.045 152 T CA 0.186 62.477 62.100 0.319 0.000 1.134 152 T CB 1.176 70.138 68.868 0.158 0.000 0.961 152 T HN 0.170 nan 8.240 nan 0.000 0.545 153 Q N 1.466 121.413 119.800 0.246 0.000 2.297 153 Q HA 0.174 4.466 4.340 -0.080 0.000 0.203 153 Q C 0.131 176.290 176.000 0.264 0.000 0.931 153 Q CA 0.378 56.338 55.803 0.262 0.000 0.885 153 Q CB 0.814 29.676 28.738 0.207 0.000 0.991 153 Q HN 0.703 nan 8.270 nan 0.000 0.498 154 W N -0.027 121.226 121.300 -0.078 0.000 3.479 154 W HA 0.489 5.102 4.660 -0.079 0.000 0.304 154 W C -2.265 174.151 176.519 -0.170 0.000 1.243 154 W CA -0.608 56.637 57.345 -0.166 0.000 1.202 154 W CB 1.270 30.561 29.460 -0.282 0.000 1.346 154 W HN -0.336 nan 8.180 nan 0.000 0.539 155 V N 3.056 122.196 119.914 -1.291 0.000 2.971 155 V HA 0.711 4.783 4.120 -0.080 0.000 0.309 155 V C -0.475 174.925 176.094 -1.158 0.000 1.130 155 V CA -0.650 61.054 62.300 -0.993 0.000 0.964 155 V CB 1.917 33.098 31.823 -1.070 0.000 1.029 155 V HN 0.512 nan 8.190 nan 0.000 0.427 156 T N 1.863 116.073 114.554 -0.574 0.000 3.097 156 T HA 0.494 4.796 4.350 -0.080 0.000 0.332 156 T C -1.438 173.255 174.700 -0.011 0.000 1.269 156 T CA -0.344 61.615 62.100 -0.235 0.000 1.076 156 T CB 0.780 69.744 68.868 0.160 0.000 1.209 156 T HN 0.501 nan 8.240 nan 0.000 0.474 157 W N 3.049 124.382 121.300 0.056 0.000 2.093 157 W HA 0.459 5.071 4.660 -0.080 0.000 0.352 157 W C 1.282 177.683 176.519 -0.196 0.000 1.294 157 W CA -0.404 56.933 57.345 -0.012 0.000 1.290 157 W CB 0.546 29.999 29.460 -0.012 0.000 1.149 157 W HN 0.830 nan 8.180 nan 0.000 0.606 158 S N 0.972 116.460 115.700 -0.353 0.000 2.600 158 S HA 0.152 4.574 4.470 -0.080 0.000 0.265 158 S C -1.830 172.516 174.600 -0.424 0.000 1.325 158 S CA -1.016 56.412 58.200 -1.286 0.000 1.002 158 S CB 0.735 63.095 63.200 -1.400 0.000 0.921 158 S HN 0.289 nan 8.310 nan 0.000 0.554 159 P HA 0.111 nan 4.420 nan 0.000 0.226 159 P C -0.322 176.937 177.300 -0.068 0.000 1.153 159 P CA 0.493 63.553 63.100 -0.066 0.000 0.777 159 P CB -0.039 31.663 31.700 0.003 0.000 0.794 160 V N -2.497 117.330 119.914 -0.146 0.000 3.078 160 V HA 0.728 4.800 4.120 -0.080 0.000 0.311 160 V C 0.823 176.832 176.094 -0.142 0.000 1.138 160 V CA -0.248 61.991 62.300 -0.102 0.000 1.007 160 V CB 0.914 32.687 31.823 -0.083 0.000 1.045 160 V HN 0.368 nan 8.190 nan 0.000 0.432 161 G N 1.856 110.607 108.800 -0.081 0.000 2.527 161 G HA2 -0.208 3.705 3.960 -0.080 0.000 0.268 161 G HA3 -0.208 3.705 3.960 -0.080 0.000 0.268 161 G C 0.135 175.030 174.900 -0.009 0.000 1.175 161 G CA 0.667 45.722 45.100 -0.075 0.000 0.962 161 G HN 2.023 nan 8.290 nan 0.000 0.560 162 H N -0.333 118.734 119.070 -0.006 0.000 3.038 162 H HA 0.401 4.909 4.556 -0.080 0.000 0.238 162 H C 0.337 175.811 175.328 0.243 0.000 1.246 162 H CA -0.012 56.092 56.048 0.093 0.000 0.966 162 H CB -0.355 29.463 29.762 0.093 0.000 2.394 162 H HN 0.554 nan 8.280 nan 0.000 0.633 163 K N 1.484 121.868 120.400 -0.027 0.000 2.219 163 K HA 0.493 4.765 4.320 -0.080 0.000 0.258 163 K C -0.382 176.307 176.600 0.149 0.000 1.008 163 K CA -0.304 55.978 56.287 -0.007 0.000 0.928 163 K CB 1.424 33.793 32.500 -0.218 0.000 0.983 163 K HN 0.107 nan 8.250 nan 0.000 0.484 164 L N 0.951 122.290 121.223 0.193 0.000 2.408 164 L HA 0.538 4.830 4.340 -0.080 0.000 0.268 164 L C -1.092 175.959 176.870 0.302 0.000 0.986 164 L CA -0.775 54.139 54.840 0.124 0.000 0.820 164 L CB 2.175 44.150 42.059 -0.141 0.000 1.303 164 L HN 0.704 nan 8.230 nan 0.000 0.411 165 A N 2.829 125.822 122.820 0.288 0.000 2.343 165 A HA 0.830 5.102 4.320 -0.080 0.000 0.308 165 A C -1.574 176.022 177.584 0.020 0.000 1.092 165 A CA -0.381 51.717 52.037 0.102 0.000 0.751 165 A CB 1.075 20.038 19.000 -0.061 0.000 1.203 165 A HN 0.648 nan 8.150 nan 0.000 0.452 166 Y N -0.390 119.848 120.300 -0.104 0.000 2.588 166 Y HA 0.781 5.283 4.550 -0.080 0.000 0.343 166 Y C -1.220 174.680 175.900 -0.001 0.000 1.065 166 Y CA -1.616 56.398 58.100 -0.144 0.000 1.038 166 Y CB 1.184 39.488 38.460 -0.259 0.000 1.297 166 Y HN 0.382 nan 8.280 nan 0.000 0.467 167 V N 2.140 122.141 119.914 0.146 0.000 2.448 167 V HA 0.370 4.442 4.120 -0.080 0.000 0.295 167 V C -1.494 174.785 176.094 0.308 0.000 1.025 167 V CA -0.601 61.773 62.300 0.123 0.000 0.859 167 V CB 1.352 33.181 31.823 0.010 0.000 0.988 167 V HN 0.869 nan 8.190 nan 0.000 0.431 168 W N 5.015 126.388 121.300 0.121 0.000 3.042 168 W HA 0.470 5.082 4.660 -0.080 0.000 0.337 168 W C 0.277 176.842 176.519 0.077 0.000 1.086 168 W CA -0.849 56.551 57.345 0.093 0.000 1.236 168 W CB 1.185 30.669 29.460 0.041 0.000 1.381 168 W HN 0.789 nan 8.180 nan 0.000 0.472 169 N N 5.563 123.863 118.700 -0.667 0.000 2.735 169 N HA -0.340 4.352 4.740 -0.080 0.000 0.248 169 N C 0.232 175.546 175.510 -0.327 0.000 1.083 169 N CA 1.055 53.711 53.050 -0.656 0.000 0.703 169 N CB -1.060 36.780 38.487 -1.078 0.000 1.005 169 N HN 0.878 nan 8.380 nan 0.000 0.550 170 N N -1.725 116.859 118.700 -0.194 0.000 2.828 170 N HA -0.174 4.518 4.740 -0.080 0.000 0.248 170 N C -1.222 174.202 175.510 -0.143 0.000 1.044 170 N CA 1.163 54.124 53.050 -0.148 0.000 0.851 170 N CB -0.343 38.013 38.487 -0.218 0.000 1.136 170 N HN 0.427 nan 8.380 nan 0.000 0.572 171 D N 0.432 120.749 120.400 -0.139 0.000 2.340 171 D HA 0.496 5.088 4.640 -0.080 0.000 0.240 171 D C 0.187 176.313 176.300 -0.291 0.000 1.001 171 D CA -0.378 53.466 54.000 -0.260 0.000 0.888 171 D CB 1.596 42.173 40.800 -0.372 0.000 1.310 171 D HN 0.025 nan 8.370 nan 0.000 0.474 172 I N 1.545 121.796 120.570 -0.531 0.000 2.440 172 I HA 0.234 4.356 4.170 -0.080 0.000 0.294 172 I C -0.704 174.937 176.117 -0.793 0.000 0.995 172 I CA -0.381 60.586 61.300 -0.554 0.000 1.306 172 I CB 0.588 38.181 38.000 -0.679 0.000 1.407 172 I HN 0.171 nan 8.210 nan 0.000 0.501 173 Y N 3.794 123.704 120.300 -0.650 0.000 2.492 173 Y HA 0.589 5.091 4.550 -0.080 0.000 0.346 173 Y C -0.468 175.103 175.900 -0.549 0.000 0.997 173 Y CA -0.864 56.825 58.100 -0.686 0.000 1.025 173 Y CB 2.090 39.880 38.460 -1.116 0.000 1.263 173 Y HN 0.096 nan 8.280 nan 0.000 0.454 174 V N 3.160 123.026 119.914 -0.080 0.000 2.588 174 V HA 0.444 4.516 4.120 -0.080 0.000 0.304 174 V C -0.759 175.476 176.094 0.235 0.000 1.042 174 V CA -1.351 60.992 62.300 0.071 0.000 0.877 174 V CB 2.020 33.889 31.823 0.077 0.000 0.996 174 V HN 0.607 nan 8.190 nan 0.000 0.425 175 K N 4.157 124.703 120.400 0.244 0.000 2.339 175 K HA 0.477 4.749 4.320 -0.080 0.000 0.264 175 K C 0.357 177.081 176.600 0.206 0.000 0.986 175 K CA -0.718 55.712 56.287 0.239 0.000 0.866 175 K CB 1.699 34.295 32.500 0.161 0.000 1.103 175 K HN 0.449 nan 8.250 nan 0.000 0.441 176 I N 1.285 121.988 120.570 0.222 0.000 2.353 176 I HA -0.083 4.039 4.170 -0.080 0.000 0.248 176 I C 0.460 176.635 176.117 0.098 0.000 1.119 176 I CA 1.479 62.852 61.300 0.120 0.000 1.417 176 I CB -0.216 37.841 38.000 0.095 0.000 1.078 176 I HN 0.535 nan 8.210 nan 0.000 0.421 177 E N -0.227 120.052 120.200 0.132 0.000 2.248 177 E HA 0.277 4.579 4.350 -0.080 0.000 0.267 177 E C -1.853 174.766 176.600 0.032 0.000 0.877 177 E CA -2.043 54.431 56.400 0.122 0.000 0.759 177 E CB 1.870 31.646 29.700 0.127 0.000 1.182 177 E HN -0.150 nan 8.360 nan 0.000 0.418 178 P HA -0.200 nan 4.420 nan 0.000 0.217 178 P C 0.845 178.097 177.300 -0.080 0.000 1.151 178 P CA 1.467 64.463 63.100 -0.173 0.000 0.849 178 P CB 0.330 31.725 31.700 -0.509 0.000 0.787 179 N N -1.627 117.049 118.700 -0.039 0.000 2.325 179 N HA 0.016 4.708 4.740 -0.080 0.000 0.182 179 N C 0.315 175.823 175.510 -0.002 0.000 1.088 179 N CA 0.299 53.344 53.050 -0.008 0.000 0.879 179 N CB -0.403 38.095 38.487 0.019 0.000 0.983 179 N HN 0.111 nan 8.380 nan 0.000 0.471 180 L N 1.198 122.430 121.223 0.015 0.000 2.439 180 L HA 0.467 4.759 4.340 -0.080 0.000 0.259 180 L C -2.073 174.788 176.870 -0.016 0.000 1.129 180 L CA -1.897 52.953 54.840 0.016 0.000 0.803 180 L CB 0.255 42.351 42.059 0.062 0.000 1.161 180 L HN -0.107 nan 8.230 nan 0.000 0.462 181 P HA 0.086 nan 4.420 nan 0.000 0.268 181 P C -0.906 176.290 177.300 -0.173 0.000 1.208 181 P CA 0.001 63.025 63.100 -0.127 0.000 0.777 181 P CB 0.519 32.116 31.700 -0.173 0.000 0.875 182 S N 1.090 116.724 115.700 -0.110 0.000 2.601 182 S HA 0.307 4.729 4.470 -0.080 0.000 0.271 182 S C -0.561 173.925 174.600 -0.189 0.000 1.305 182 S CA -0.044 58.149 58.200 -0.012 0.000 1.022 182 S CB -0.030 63.257 63.200 0.145 0.000 0.940 182 S HN 0.240 nan 8.310 nan 0.000 0.525 183 Y N 1.093 121.427 120.300 0.057 0.000 2.331 183 Y HA 0.374 4.876 4.550 -0.080 0.000 0.338 183 Y C 0.781 176.607 175.900 -0.123 0.000 0.976 183 Y CA -0.594 57.512 58.100 0.009 0.000 1.137 183 Y CB 0.700 39.165 38.460 0.008 0.000 1.172 183 Y HN 0.448 nan 8.280 nan 0.000 0.478 184 R N 3.658 124.061 120.500 -0.161 0.000 2.389 184 R HA 0.194 4.487 4.340 -0.080 0.000 0.295 184 R C 0.143 176.066 176.300 -0.628 0.000 1.075 184 R CA 0.104 55.740 56.100 -0.773 0.000 1.005 184 R CB 0.509 30.118 30.300 -1.152 0.000 0.987 184 R HN 0.760 nan 8.270 nan 0.000 0.452 185 I N 1.629 121.777 120.570 -0.704 0.000 3.339 185 I HA -0.002 4.120 4.170 -0.080 0.000 0.285 185 I C 1.060 176.984 176.117 -0.321 0.000 1.201 185 I CA 0.827 61.899 61.300 -0.381 0.000 1.434 185 I CB -0.387 37.349 38.000 -0.440 0.000 1.152 185 I HN 0.575 nan 8.210 nan 0.000 0.443 186 T N -3.918 110.287 114.554 -0.582 0.000 2.906 186 T HA 0.399 4.701 4.350 -0.080 0.000 0.295 186 T C -0.178 174.299 174.700 -0.372 0.000 1.061 186 T CA -0.517 61.405 62.100 -0.296 0.000 1.000 186 T CB 2.272 70.937 68.868 -0.337 0.000 1.103 186 T HN 0.222 nan 8.240 nan 0.000 0.486 187 W N 0.703 121.888 121.300 -0.192 0.000 2.534 187 W HA 0.099 4.712 4.660 -0.080 0.000 0.339 187 W C 1.618 178.075 176.519 -0.103 0.000 0.961 187 W CA 0.133 57.397 57.345 -0.135 0.000 1.545 187 W CB 0.649 30.051 29.460 -0.097 0.000 1.104 187 W HN 0.957 nan 8.180 nan 0.000 0.538 188 T N -2.171 112.431 114.554 0.081 0.000 3.081 188 T HA 0.127 4.430 4.350 -0.080 0.000 0.255 188 T C 1.311 176.002 174.700 -0.014 0.000 1.113 188 T CA 0.345 62.471 62.100 0.042 0.000 1.082 188 T CB -0.124 68.769 68.868 0.042 0.000 0.939 188 T HN -0.027 nan 8.240 nan 0.000 0.506 189 G N 1.472 110.231 108.800 -0.069 0.000 2.178 189 G HA2 0.277 4.189 3.960 -0.080 0.000 0.244 189 G HA3 0.277 4.189 3.960 -0.080 0.000 0.244 189 G C -0.526 174.301 174.900 -0.123 0.000 1.213 189 G CA -0.274 44.757 45.100 -0.115 0.000 0.912 189 G HN 0.637 nan 8.290 nan 0.000 0.474 190 K N 2.050 122.358 120.400 -0.152 0.000 2.581 190 K HA 0.220 4.492 4.320 -0.080 0.000 0.249 190 K C -0.056 176.415 176.600 -0.214 0.000 0.966 190 K CA -0.713 55.487 56.287 -0.145 0.000 0.811 190 K CB 1.513 33.966 32.500 -0.079 0.000 1.223 190 K HN 0.579 nan 8.250 nan 0.000 0.438 191 E N 3.198 123.282 120.200 -0.194 0.000 2.608 191 E HA -0.155 4.147 4.350 -0.080 0.000 0.259 191 E C -0.534 175.974 176.600 -0.153 0.000 0.951 191 E CA 1.032 57.317 56.400 -0.191 0.000 0.945 191 E CB 0.263 29.890 29.700 -0.123 0.000 0.916 191 E HN 0.689 nan 8.360 nan 0.000 0.477 192 D N 2.371 122.669 120.400 -0.170 0.000 3.028 192 D HA -0.248 4.344 4.640 -0.080 0.000 0.211 192 D C 0.578 176.911 176.300 0.054 0.000 1.136 192 D CA 1.284 55.306 54.000 0.035 0.000 0.987 192 D CB -0.416 40.437 40.800 0.089 0.000 1.128 192 D HN 0.403 nan 8.370 nan 0.000 0.406 193 I N -0.870 119.633 120.570 -0.112 0.000 3.632 193 I HA 0.113 4.235 4.170 -0.080 0.000 0.246 193 I C 0.873 177.031 176.117 0.069 0.000 1.125 193 I CA 0.391 61.704 61.300 0.022 0.000 1.519 193 I CB 0.057 38.056 38.000 -0.001 0.000 1.555 193 I HN -0.129 nan 8.210 nan 0.000 0.452 194 I N 1.302 121.836 120.570 -0.060 0.000 2.433 194 I HA 0.258 4.380 4.170 -0.080 0.000 0.292 194 I C -1.217 174.861 176.117 -0.064 0.000 1.001 194 I CA -0.602 60.735 61.300 0.061 0.000 1.119 194 I CB 1.147 39.171 38.000 0.041 0.000 1.289 194 I HN 0.054 nan 8.210 nan 0.000 0.438 195 Y N 4.660 125.070 120.300 0.183 0.000 2.328 195 Y HA 0.399 4.901 4.550 -0.079 0.000 0.333 195 Y C 0.311 176.304 175.900 0.154 0.000 0.958 195 Y CA -0.768 57.444 58.100 0.187 0.000 1.167 195 Y CB 1.096 39.746 38.460 0.317 0.000 1.151 195 Y HN 0.403 nan 8.280 nan 0.000 0.470 196 N N 2.111 120.890 118.700 0.132 0.000 2.417 196 N HA 0.365 5.058 4.740 -0.080 0.000 0.274 196 N C 0.831 176.309 175.510 -0.054 0.000 0.987 196 N CA 0.446 53.519 53.050 0.038 0.000 0.912 196 N CB 1.915 40.323 38.487 -0.132 0.000 1.177 196 N HN 0.967 nan 8.380 nan 0.000 0.490 197 G N 1.546 110.341 108.800 -0.008 0.000 2.205 197 G HA2 -0.257 3.655 3.960 -0.080 0.000 0.261 197 G HA3 -0.257 3.655 3.960 -0.080 0.000 0.261 197 G C 0.109 174.880 174.900 -0.215 0.000 0.980 197 G CA 0.731 45.742 45.100 -0.149 0.000 0.632 197 G HN 0.664 nan 8.290 nan 0.000 0.533 198 I N -1.635 118.879 120.570 -0.093 0.000 2.865 198 I HA 0.784 4.906 4.170 -0.080 0.000 0.302 198 I C 0.340 176.479 176.117 0.036 0.000 1.140 198 I CA -0.666 60.475 61.300 -0.264 0.000 1.021 198 I CB 1.970 39.629 38.000 -0.569 0.000 1.233 198 I HN 0.178 nan 8.210 nan 0.000 0.427 199 T N -0.110 114.391 114.554 -0.089 0.000 2.904 199 T HA 0.334 4.636 4.350 -0.080 0.000 0.290 199 T C -0.138 174.309 174.700 -0.421 0.000 1.018 199 T CA -0.599 61.308 62.100 -0.321 0.000 1.075 199 T CB 1.022 69.839 68.868 -0.085 0.000 0.986 199 T HN 0.769 nan 8.240 nan 0.000 0.523 200 D N 0.558 120.424 120.400 -0.889 0.000 2.478 200 D HA 0.051 4.644 4.640 -0.080 0.000 0.269 200 D C 0.974 177.133 176.300 -0.235 0.000 1.232 200 D CA -1.154 52.311 54.000 -0.892 0.000 1.059 200 D CB 0.059 40.279 40.800 -0.967 0.000 1.104 200 D HN 0.700 nan 8.370 nan 0.000 0.566 201 W N 0.124 121.321 121.300 -0.172 0.000 2.317 201 W HA -0.239 4.373 4.660 -0.081 0.000 0.318 201 W C 2.183 178.565 176.519 -0.227 0.000 1.227 201 W CA 2.515 59.759 57.345 -0.169 0.000 1.269 201 W CB -0.461 28.836 29.460 -0.272 0.000 1.155 201 W HN 0.193 nan 8.180 nan 0.000 0.484 202 V N -0.256 119.691 119.914 0.054 0.000 2.427 202 V HA -0.287 3.785 4.120 -0.080 0.000 0.248 202 V C 1.891 177.782 176.094 -0.339 0.000 1.051 202 V CA 1.999 64.221 62.300 -0.130 0.000 1.048 202 V CB -0.752 31.007 31.823 -0.107 0.000 0.666 202 V HN 0.295 nan 8.190 nan 0.000 0.456 203 Y N 0.715 120.799 120.300 -0.359 0.000 2.242 203 Y HA -0.190 4.313 4.550 -0.079 0.000 0.291 203 Y C 2.579 178.328 175.900 -0.251 0.000 1.137 203 Y CA 2.176 60.058 58.100 -0.363 0.000 1.181 203 Y CB -0.120 38.055 38.460 -0.476 0.000 0.989 203 Y HN 0.394 nan 8.280 nan 0.000 0.527 204 E N 0.365 120.502 120.200 -0.105 0.000 2.023 204 E HA -0.311 3.991 4.350 -0.080 0.000 0.196 204 E C 2.061 178.589 176.600 -0.121 0.000 1.003 204 E CA 1.659 58.030 56.400 -0.048 0.000 0.809 204 E CB -0.059 29.609 29.700 -0.054 0.000 0.755 204 E HN 0.418 nan 8.360 nan 0.000 0.449 205 E N 0.191 120.129 120.200 -0.438 0.000 2.072 205 E HA -0.159 4.144 4.350 -0.080 0.000 0.190 205 E C 1.640 178.098 176.600 -0.237 0.000 0.982 205 E CA 1.579 57.718 56.400 -0.435 0.000 0.803 205 E CB 0.151 29.250 29.700 -1.003 0.000 0.755 205 E HN 0.261 nan 8.360 nan 0.000 0.453 206 E N -0.578 119.451 120.200 -0.285 0.000 2.460 206 E HA 0.043 4.345 4.350 -0.080 0.000 0.200 206 E C 1.701 178.152 176.600 -0.247 0.000 1.011 206 E CA 0.749 57.030 56.400 -0.199 0.000 0.912 206 E CB 1.241 30.817 29.700 -0.207 0.000 0.953 206 E HN 0.321 nan 8.360 nan 0.000 0.494 207 V N -1.836 117.882 119.914 -0.327 0.000 3.029 207 V HA 0.129 4.201 4.120 -0.080 0.000 0.230 207 V C 1.144 177.110 176.094 -0.213 0.000 1.254 207 V CA 0.268 62.334 62.300 -0.390 0.000 1.276 207 V CB -0.177 31.203 31.823 -0.738 0.000 1.080 207 V HN -0.040 nan 8.190 nan 0.000 0.495 208 F N 1.600 121.568 119.950 0.031 0.000 2.746 208 F HA 0.493 4.972 4.527 -0.079 0.000 0.297 208 F C 1.610 177.377 175.800 -0.055 0.000 1.113 208 F CA 0.345 58.373 58.000 0.048 0.000 1.367 208 F CB -0.443 38.624 39.000 0.111 0.000 1.111 208 F HN 0.201 nan 8.300 nan 0.000 0.590 209 S N 0.648 116.384 115.700 0.060 0.000 3.559 209 S HA 0.055 4.478 4.470 -0.080 0.000 0.369 209 S C 0.027 174.263 174.600 -0.607 0.000 0.987 209 S CA 0.452 58.560 58.200 -0.153 0.000 1.187 209 S CB -1.570 61.596 63.200 -0.057 0.000 0.914 209 S HN 0.707 nan 8.310 nan 0.000 0.480 210 A N -0.402 122.235 122.820 -0.306 0.000 2.590 210 A HA 0.629 4.901 4.320 -0.080 0.000 0.294 210 A C -0.361 177.192 177.584 -0.053 0.000 1.046 210 A CA -0.458 51.408 52.037 -0.285 0.000 0.684 210 A CB 0.187 19.027 19.000 -0.267 0.000 1.279 210 A HN 0.356 nan 8.150 nan 0.000 0.415 211 Y N 1.497 121.634 120.300 -0.272 0.000 2.365 211 Y HA 0.205 4.708 4.550 -0.079 0.000 0.293 211 Y C 1.609 177.204 175.900 -0.508 0.000 1.119 211 Y CA 1.152 59.092 58.100 -0.267 0.000 1.203 211 Y CB -0.002 38.337 38.460 -0.200 0.000 1.026 211 Y HN 0.737 nan 8.280 nan 0.000 0.549 212 S N 0.584 115.727 115.700 -0.929 0.000 2.549 212 S HA 0.416 4.839 4.470 -0.080 0.000 0.283 212 S C 0.307 174.332 174.600 -0.958 0.000 1.320 212 S CA 0.189 57.575 58.200 -1.357 0.000 1.058 212 S CB 0.406 62.484 63.200 -1.870 0.000 0.882 212 S HN 0.427 nan 8.310 nan 0.000 0.498 213 A N 4.470 126.760 122.820 -0.883 0.000 2.795 213 A HA 0.523 4.795 4.320 -0.080 0.000 0.282 213 A C -0.722 176.201 177.584 -1.102 0.000 0.964 213 A CA -0.630 50.850 52.037 -0.928 0.000 1.045 213 A CB -0.388 18.520 19.000 -0.154 0.000 1.174 213 A HN 0.944 nan 8.150 nan 0.000 0.493 214 L N -5.014 115.414 121.223 -1.326 0.000 2.409 214 L HA 0.913 5.205 4.340 -0.080 0.000 0.262 214 L C -1.400 175.024 176.870 -0.745 0.000 0.992 214 L CA -1.103 53.290 54.840 -0.744 0.000 0.817 214 L CB 1.151 42.991 42.059 -0.365 0.000 1.350 214 L HN 0.212 nan 8.230 nan 0.000 0.411 215 W N 1.924 123.264 121.300 0.065 0.000 2.687 215 W HA 0.324 4.936 4.660 -0.080 0.000 0.328 215 W C -1.447 175.285 176.519 0.355 0.000 1.012 215 W CA -0.750 56.752 57.345 0.262 0.000 1.262 215 W CB 1.495 31.169 29.460 0.356 0.000 1.331 215 W HN 0.623 nan 8.180 nan 0.000 0.433 216 W N 2.385 123.880 121.300 0.325 0.000 2.170 216 W HA 0.216 4.828 4.660 -0.080 0.000 0.336 216 W C 1.314 177.640 176.519 -0.321 0.000 1.283 216 W CA 0.352 57.748 57.345 0.085 0.000 1.224 216 W CB 0.852 30.336 29.460 0.041 0.000 1.132 216 W HN 0.186 nan 8.180 nan 0.000 0.571 217 S N 2.288 117.727 115.700 -0.435 0.000 2.614 217 S HA 0.215 4.637 4.470 -0.080 0.000 0.265 217 S C -1.762 172.566 174.600 -0.453 0.000 1.303 217 S CA -1.049 56.335 58.200 -1.360 0.000 1.000 217 S CB 1.114 63.526 63.200 -1.313 0.000 0.935 217 S HN 0.291 nan 8.310 nan 0.000 0.551 218 P HA -0.173 nan 4.420 nan 0.000 0.218 218 P C 0.701 177.959 177.300 -0.071 0.000 1.154 218 P CA 1.749 64.799 63.100 -0.083 0.000 0.872 218 P CB -0.247 31.456 31.700 0.005 0.000 0.790 219 N N -2.332 116.315 118.700 -0.088 0.000 2.251 219 N HA 0.185 4.877 4.740 -0.080 0.000 0.217 219 N C 1.035 176.463 175.510 -0.136 0.000 1.124 219 N CA 0.282 53.281 53.050 -0.087 0.000 0.843 219 N CB -0.579 37.874 38.487 -0.056 0.000 1.024 219 N HN 0.188 nan 8.380 nan 0.000 0.501 220 G N -1.022 107.696 108.800 -0.138 0.000 2.179 220 G HA2 -0.352 3.560 3.960 -0.080 0.000 0.260 220 G HA3 -0.352 3.560 3.960 -0.080 0.000 0.260 220 G C 1.000 175.903 174.900 0.004 0.000 0.977 220 G CA 0.741 45.747 45.100 -0.157 0.000 0.641 220 G HN 0.371 nan 8.290 nan 0.000 0.533 221 T N 0.121 114.617 114.554 -0.096 0.000 2.701 221 T HA 0.191 4.493 4.350 -0.080 0.000 0.263 221 T C 0.879 175.418 174.700 -0.268 0.000 1.040 221 T CA 1.353 63.298 62.100 -0.258 0.000 1.147 221 T CB -0.104 68.466 68.868 -0.496 0.000 0.865 221 T HN 0.282 nan 8.240 nan 0.000 0.426 222 F N 0.403 120.404 119.950 0.084 0.000 2.425 222 F HA 0.564 5.043 4.527 -0.080 0.000 0.331 222 F C 0.014 175.897 175.800 0.140 0.000 1.085 222 F CA -1.310 56.776 58.000 0.143 0.000 1.028 222 F CB 0.957 40.121 39.000 0.273 0.000 1.177 222 F HN -0.052 nan 8.300 nan 0.000 0.487 223 L N 2.888 124.261 121.223 0.249 0.000 2.343 223 L HA 0.733 5.026 4.340 -0.080 0.000 0.278 223 L C -0.832 176.135 176.870 0.162 0.000 0.996 223 L CA -0.543 54.257 54.840 -0.067 0.000 0.831 223 L CB 0.991 42.766 42.059 -0.473 0.000 1.232 223 L HN 0.791 nan 8.230 nan 0.000 0.413 224 A N 4.900 127.890 122.820 0.283 0.000 2.312 224 A HA 0.758 5.031 4.320 -0.080 0.000 0.328 224 A C -1.404 176.259 177.584 0.133 0.000 1.158 224 A CA -0.322 51.775 52.037 0.099 0.000 0.821 224 A CB 1.018 20.153 19.000 0.227 0.000 1.170 224 A HN 0.727 nan 8.150 nan 0.000 0.490 225 Y N -1.652 118.416 120.300 -0.387 0.000 2.592 225 Y HA 0.744 5.246 4.550 -0.080 0.000 0.334 225 Y C -0.333 175.431 175.900 -0.226 0.000 1.136 225 Y CA -0.885 57.115 58.100 -0.167 0.000 1.042 225 Y CB 0.766 39.113 38.460 -0.188 0.000 1.325 225 Y HN 0.935 nan 8.280 nan 0.000 0.457 226 A N 2.304 125.248 122.820 0.207 0.000 2.294 226 A HA 0.730 5.003 4.320 -0.080 0.000 0.330 226 A C -1.082 176.462 177.584 -0.067 0.000 1.133 226 A CA -0.809 51.239 52.037 0.019 0.000 0.836 226 A CB 1.696 20.761 19.000 0.107 0.000 1.190 226 A HN 0.838 nan 8.150 nan 0.000 0.492 227 Q N 0.500 120.109 119.800 -0.319 0.000 2.323 227 Q HA 0.613 4.905 4.340 -0.080 0.000 0.271 227 Q C -2.157 173.532 176.000 -0.520 0.000 1.048 227 Q CA -0.376 55.326 55.803 -0.168 0.000 0.792 227 Q CB 1.274 30.137 28.738 0.207 0.000 1.280 227 Q HN 0.602 nan 8.270 nan 0.000 0.441 228 F N 2.150 122.223 119.950 0.206 0.000 2.482 228 F HA 0.421 4.901 4.527 -0.079 0.000 0.331 228 F C 0.309 176.274 175.800 0.274 0.000 1.115 228 F CA -0.963 57.148 58.000 0.185 0.000 0.955 228 F CB 1.472 40.523 39.000 0.087 0.000 1.136 228 F HN 0.423 nan 8.300 nan 0.000 0.452 229 N N 1.976 120.896 118.700 0.366 0.000 2.469 229 N HA 0.206 4.899 4.740 -0.080 0.000 0.253 229 N C -0.832 174.857 175.510 0.298 0.000 0.970 229 N CA -0.261 52.961 53.050 0.286 0.000 0.940 229 N CB 0.946 39.545 38.487 0.187 0.000 1.128 229 N HN 0.581 nan 8.380 nan 0.000 0.503 230 D N 1.361 121.955 120.400 0.325 0.000 2.424 230 D HA 0.135 4.727 4.640 -0.080 0.000 0.220 230 D C 1.158 177.577 176.300 0.199 0.000 1.150 230 D CA 0.100 54.271 54.000 0.286 0.000 0.831 230 D CB 0.576 41.612 40.800 0.394 0.000 0.981 230 D HN 0.460 nan 8.370 nan 0.000 0.500 231 T N 0.334 114.986 114.554 0.162 0.000 2.620 231 T HA -0.226 4.076 4.350 -0.080 0.000 0.267 231 T C 1.310 176.067 174.700 0.096 0.000 1.044 231 T CA 1.382 63.550 62.100 0.113 0.000 1.161 231 T CB -0.071 68.853 68.868 0.093 0.000 0.862 231 T HN 0.301 nan 8.240 nan 0.000 0.438 232 E N 0.293 120.551 120.200 0.096 0.000 2.465 232 E HA 0.194 4.496 4.350 -0.080 0.000 0.195 232 E C -0.510 176.140 176.600 0.082 0.000 1.028 232 E CA -0.267 56.179 56.400 0.077 0.000 0.899 232 E CB 0.586 30.323 29.700 0.063 0.000 1.032 232 E HN 0.194 nan 8.360 nan 0.000 0.468 233 V N 3.512 123.489 119.914 0.106 0.000 2.508 233 V HA 0.097 4.169 4.120 -0.080 0.000 0.281 233 V C -1.957 174.194 176.094 0.095 0.000 1.041 233 V CA -1.504 60.862 62.300 0.110 0.000 1.016 233 V CB 0.401 32.308 31.823 0.141 0.000 0.984 233 V HN 0.062 nan 8.190 nan 0.000 0.478 234 P HA 0.243 nan 4.420 nan 0.000 0.271 234 P C -0.770 176.565 177.300 0.058 0.000 1.233 234 P CA -0.274 62.861 63.100 0.059 0.000 0.789 234 P CB 0.495 32.227 31.700 0.053 0.000 0.951 235 L N 1.704 122.937 121.223 0.017 0.000 2.295 235 L HA 0.442 4.735 4.340 -0.080 0.000 0.285 235 L C 0.331 177.144 176.870 -0.095 0.000 1.035 235 L CA -1.011 53.820 54.840 -0.016 0.000 0.806 235 L CB 1.040 43.083 42.059 -0.027 0.000 1.214 235 L HN 0.293 nan 8.230 nan 0.000 0.426 236 I N 2.779 123.243 120.570 -0.178 0.000 2.428 236 I HA 0.226 4.348 4.170 -0.080 0.000 0.289 236 I C -0.250 175.691 176.117 -0.293 0.000 1.019 236 I CA 0.318 61.403 61.300 -0.357 0.000 1.351 236 I CB 0.730 38.242 38.000 -0.813 0.000 1.412 236 I HN 0.577 nan 8.210 nan 0.000 0.513 237 E N 7.310 127.361 120.200 -0.248 0.000 2.238 237 E HA 0.550 4.852 4.350 -0.080 0.000 0.267 237 E C -1.779 174.726 176.600 -0.158 0.000 0.887 237 E CA -0.628 55.622 56.400 -0.251 0.000 0.769 237 E CB 2.156 31.754 29.700 -0.171 0.000 1.187 237 E HN 0.567 nan 8.360 nan 0.000 0.416 238 Y N -2.095 118.120 120.300 -0.143 0.000 2.592 238 Y HA 0.464 4.967 4.550 -0.079 0.000 0.334 238 Y C -0.935 174.897 175.900 -0.112 0.000 1.136 238 Y CA -1.267 56.758 58.100 -0.126 0.000 1.042 238 Y CB 0.635 39.024 38.460 -0.119 0.000 1.325 238 Y HN 0.234 nan 8.280 nan 0.000 0.457 239 S N 2.204 117.910 115.700 0.010 0.000 2.565 239 S HA 0.487 4.909 4.470 -0.080 0.000 0.276 239 S C -1.313 173.139 174.600 -0.246 0.000 1.326 239 S CA -0.323 57.741 58.200 -0.228 0.000 1.045 239 S CB 0.353 63.267 63.200 -0.477 0.000 0.918 239 S HN 0.531 nan 8.310 nan 0.000 0.505 240 F N 2.368 122.074 119.950 -0.406 0.000 2.477 240 F HA 0.436 4.915 4.527 -0.080 0.000 0.335 240 F C -0.167 175.395 175.800 -0.397 0.000 1.130 240 F CA -0.936 56.909 58.000 -0.258 0.000 0.948 240 F CB 0.818 39.794 39.000 -0.040 0.000 1.154 240 F HN 0.654 nan 8.300 nan 0.000 0.439 241 Y N 2.746 122.835 120.300 -0.352 0.000 2.397 241 Y HA 0.111 4.613 4.550 -0.080 0.000 0.292 241 Y C 1.693 177.522 175.900 -0.119 0.000 1.115 241 Y CA 1.147 59.136 58.100 -0.185 0.000 1.208 241 Y CB -0.443 37.896 38.460 -0.201 0.000 1.046 241 Y HN 0.739 nan 8.280 nan 0.000 0.552 242 S N -0.243 115.365 115.700 -0.153 0.000 3.513 242 S HA -0.217 4.205 4.470 -0.080 0.000 0.636 242 S C -0.632 174.010 174.600 0.070 0.000 2.452 242 S CA 0.138 58.392 58.200 0.090 0.000 2.644 242 S CB -1.173 62.185 63.200 0.262 0.000 0.331 242 S HN 0.435 nan 8.310 nan 0.000 1.787 243 D N 1.596 122.056 120.400 0.100 0.000 2.400 243 D HA 0.141 4.734 4.640 -0.080 0.000 0.238 243 D C 1.388 177.719 176.300 0.052 0.000 1.157 243 D CA 0.485 54.525 54.000 0.067 0.000 0.889 243 D CB 0.212 41.052 40.800 0.068 0.000 1.199 243 D HN 0.617 nan 8.370 nan 0.000 0.436 244 E N 0.599 120.818 120.200 0.032 0.000 2.233 244 E HA -0.241 4.061 4.350 -0.080 0.000 0.199 244 E C 1.463 178.076 176.600 0.021 0.000 1.004 244 E CA 1.275 57.685 56.400 0.018 0.000 0.819 244 E CB 0.165 29.869 29.700 0.006 0.000 0.738 244 E HN 0.453 nan 8.360 nan 0.000 0.478 245 S N 0.060 115.778 115.700 0.031 0.000 2.447 245 S HA -0.072 4.350 4.470 -0.080 0.000 0.233 245 S C 1.165 175.789 174.600 0.040 0.000 1.006 245 S CA 0.016 58.234 58.200 0.030 0.000 0.957 245 S CB -0.179 63.041 63.200 0.034 0.000 0.773 245 S HN 0.252 nan 8.310 nan 0.000 0.507 246 L N 2.488 123.744 121.223 0.055 0.000 2.530 246 L HA 0.118 4.410 4.340 -0.080 0.000 0.273 246 L C 1.634 178.536 176.870 0.053 0.000 1.141 246 L CA 0.058 54.942 54.840 0.073 0.000 0.905 246 L CB 0.850 42.967 42.059 0.098 0.000 1.202 246 L HN 0.455 nan 8.230 nan 0.000 0.473 247 Q N 4.127 123.958 119.800 0.052 0.000 2.079 247 Q HA -0.117 4.175 4.340 -0.080 0.000 0.200 247 Q C -0.530 175.388 176.000 -0.137 0.000 0.974 247 Q CA 1.425 57.201 55.803 -0.044 0.000 0.840 247 Q CB 0.180 28.899 28.738 -0.030 0.000 0.898 247 Q HN 0.598 nan 8.270 nan 0.000 0.430 248 Y N 0.789 121.104 120.300 0.025 0.000 2.335 248 Y HA 0.363 4.866 4.550 -0.080 0.000 0.338 248 Y C -2.001 173.911 175.900 0.020 0.000 0.977 248 Y CA -2.917 55.195 58.100 0.020 0.000 1.114 248 Y CB 1.251 39.715 38.460 0.006 0.000 1.182 248 Y HN 0.177 nan 8.280 nan 0.000 0.463 249 P HA -0.004 nan 4.420 nan 0.000 0.268 249 P C -0.729 176.588 177.300 0.029 0.000 1.208 249 P CA -0.413 62.712 63.100 0.041 0.000 0.777 249 P CB 0.714 32.388 31.700 -0.043 0.000 0.875 250 K N 0.997 121.397 120.400 0.000 0.000 2.110 250 K HA 0.368 4.640 4.320 -0.080 0.000 0.263 250 K C -0.811 175.755 176.600 -0.057 0.000 0.975 250 K CA -0.387 55.901 56.287 0.002 0.000 0.895 250 K CB 0.699 33.228 32.500 0.049 0.000 1.060 250 K HN 0.305 nan 8.250 nan 0.000 0.448 251 T N 2.922 117.426 114.554 -0.083 0.000 2.743 251 T HA 0.223 4.525 4.350 -0.080 0.000 0.292 251 T C -0.486 174.096 174.700 -0.196 0.000 0.972 251 T CA -0.581 61.434 62.100 -0.142 0.000 0.967 251 T CB 1.052 69.847 68.868 -0.122 0.000 0.926 251 T HN 0.311 nan 8.240 nan 0.000 0.459 252 V N 6.048 125.754 119.914 -0.345 0.000 2.607 252 V HA 0.526 4.599 4.120 -0.080 0.000 0.289 252 V C 0.371 176.192 176.094 -0.456 0.000 1.053 252 V CA -0.597 61.451 62.300 -0.421 0.000 0.996 252 V CB 0.795 32.222 31.823 -0.661 0.000 0.995 252 V HN 0.784 nan 8.190 nan 0.000 0.476 253 R N 3.557 123.911 120.500 -0.243 0.000 2.574 253 R HA 0.785 5.077 4.340 -0.080 0.000 0.288 253 R C -2.114 174.156 176.300 -0.051 0.000 1.004 253 R CA -0.620 55.373 56.100 -0.179 0.000 0.895 253 R CB 1.587 31.815 30.300 -0.119 0.000 1.191 253 R HN 0.347 nan 8.270 nan 0.000 0.444 254 V N 2.978 122.861 119.914 -0.052 0.000 2.577 254 V HA 0.367 4.439 4.120 -0.080 0.000 0.303 254 V C -2.439 173.700 176.094 0.075 0.000 1.042 254 V CA -2.245 60.091 62.300 0.061 0.000 0.872 254 V CB 2.436 34.248 31.823 -0.018 0.000 0.998 254 V HN 0.653 nan 8.190 nan 0.000 0.423 255 P HA 0.180 nan 4.420 nan 0.000 0.270 255 P C -1.402 176.004 177.300 0.177 0.000 1.242 255 P CA 0.312 63.516 63.100 0.174 0.000 0.768 255 P CB -0.153 31.695 31.700 0.247 0.000 0.820 256 Y N 6.644 126.924 120.300 -0.033 0.000 2.317 256 Y HA 0.364 4.866 4.550 -0.080 0.000 0.325 256 Y C -2.705 173.169 175.900 -0.042 0.000 1.066 256 Y CA -2.948 55.090 58.100 -0.103 0.000 1.203 256 Y CB 1.708 39.992 38.460 -0.294 0.000 1.127 256 Y HN 0.285 nan 8.280 nan 0.000 0.451 257 P HA 0.215 nan 4.420 nan 0.000 0.281 257 P C -0.844 176.529 177.300 0.121 0.000 1.286 257 P CA -0.111 63.041 63.100 0.088 0.000 0.772 257 P CB 1.388 33.114 31.700 0.043 0.000 0.862 258 K N 2.123 122.663 120.400 0.233 0.000 2.117 258 K HA 0.484 4.756 4.320 -0.080 0.000 0.240 258 K C 0.576 177.276 176.600 0.166 0.000 1.031 258 K CA -0.690 55.749 56.287 0.253 0.000 0.909 258 K CB 0.449 33.102 32.500 0.254 0.000 1.097 258 K HN 0.457 nan 8.250 nan 0.000 0.492 259 A N 0.718 123.659 122.820 0.201 0.000 2.566 259 A HA 0.279 4.551 4.320 -0.080 0.000 0.245 259 A C 1.167 178.787 177.584 0.061 0.000 1.056 259 A CA 1.000 53.142 52.037 0.176 0.000 0.757 259 A CB -1.269 17.923 19.000 0.321 0.000 0.979 259 A HN 0.891 nan 8.150 nan 0.000 0.508 260 G N 0.943 109.771 108.800 0.048 0.000 2.179 260 G HA2 0.101 4.013 3.960 -0.080 0.000 0.260 260 G HA3 0.101 4.013 3.960 -0.080 0.000 0.260 260 G C 0.653 175.565 174.900 0.020 0.000 0.977 260 G CA 0.763 45.865 45.100 0.004 0.000 0.641 260 G HN 2.179 nan 8.290 nan 0.000 0.533 261 A N -0.366 122.482 122.820 0.047 0.000 2.259 261 A HA 0.753 5.025 4.320 -0.080 0.000 0.278 261 A C 0.897 178.512 177.584 0.051 0.000 1.107 261 A CA 0.248 52.315 52.037 0.051 0.000 0.828 261 A CB 0.752 19.796 19.000 0.073 0.000 1.111 261 A HN 1.183 nan 8.150 nan 0.000 0.498 262 V N 2.482 122.427 119.914 0.051 0.000 2.557 262 V HA -0.020 4.052 4.120 -0.080 0.000 0.301 262 V C 0.391 176.529 176.094 0.073 0.000 1.026 262 V CA 0.212 62.544 62.300 0.053 0.000 1.137 262 V CB -0.450 31.404 31.823 0.053 0.000 0.917 262 V HN 0.811 nan 8.190 nan 0.000 0.484 263 N N 6.246 124.989 118.700 0.072 0.000 2.482 263 N HA 0.503 5.195 4.740 -0.080 0.000 0.279 263 N C -2.392 173.206 175.510 0.146 0.000 1.182 263 N CA -1.540 51.576 53.050 0.111 0.000 0.969 263 N CB 1.202 39.754 38.487 0.107 0.000 1.201 263 N HN 0.386 nan 8.380 nan 0.000 0.523 264 P HA 0.115 nan 4.420 nan 0.000 0.272 264 P C -0.484 176.982 177.300 0.276 0.000 1.230 264 P CA -0.152 63.116 63.100 0.279 0.000 0.788 264 P CB 0.341 32.265 31.700 0.374 0.000 0.949 265 T N -1.791 112.902 114.554 0.231 0.000 2.952 265 T HA 0.611 4.913 4.350 -0.080 0.000 0.286 265 T C -0.279 174.537 174.700 0.192 0.000 1.024 265 T CA -0.847 61.338 62.100 0.142 0.000 1.029 265 T CB 1.523 70.438 68.868 0.079 0.000 1.094 265 T HN 0.351 nan 8.240 nan 0.000 0.515 266 V N 0.317 120.309 119.914 0.130 0.000 3.007 266 V HA 0.766 4.839 4.120 -0.080 0.000 0.311 266 V C -1.631 174.509 176.094 0.076 0.000 1.120 266 V CA -0.879 61.431 62.300 0.017 0.000 0.980 266 V CB 2.105 33.958 31.823 0.049 0.000 1.033 266 V HN 1.059 nan 8.190 nan 0.000 0.429 267 K N 4.210 124.583 120.400 -0.045 0.000 2.435 267 K HA 0.586 4.858 4.320 -0.080 0.000 0.251 267 K C -1.959 174.530 176.600 -0.185 0.000 0.954 267 K CA -0.501 55.728 56.287 -0.096 0.000 0.820 267 K CB 2.881 35.271 32.500 -0.182 0.000 1.292 267 K HN 0.567 nan 8.250 nan 0.000 0.436 268 F N 2.018 121.657 119.950 -0.518 0.000 2.540 268 F HA 0.574 5.053 4.527 -0.080 0.000 0.317 268 F C -1.522 173.770 175.800 -0.846 0.000 1.104 268 F CA -0.655 57.039 58.000 -0.509 0.000 0.913 268 F CB 0.928 39.751 39.000 -0.294 0.000 1.170 268 F HN 0.402 nan 8.300 nan 0.000 0.450 269 F N 3.805 123.029 119.950 -1.211 0.000 2.620 269 F HA 0.790 5.269 4.527 -0.080 0.000 0.320 269 F C -0.990 174.185 175.800 -1.042 0.000 1.069 269 F CA -1.217 56.192 58.000 -0.984 0.000 0.953 269 F CB 2.138 40.480 39.000 -1.096 0.000 1.322 269 F HN 0.128 nan 8.300 nan 0.000 0.479 270 V N 2.264 121.983 119.914 -0.325 0.000 2.623 270 V HA 0.580 4.653 4.120 -0.080 0.000 0.304 270 V C -1.301 174.877 176.094 0.139 0.000 1.054 270 V CA -0.767 61.405 62.300 -0.213 0.000 0.882 270 V CB 2.018 33.459 31.823 -0.638 0.000 1.002 270 V HN 0.602 nan 8.190 nan 0.000 0.424 271 V N 4.630 124.703 119.914 0.265 0.000 2.680 271 V HA 0.540 4.612 4.120 -0.080 0.000 0.309 271 V C -0.157 176.163 176.094 0.376 0.000 1.052 271 V CA -0.648 61.837 62.300 0.308 0.000 0.908 271 V CB 2.092 34.043 31.823 0.212 0.000 1.001 271 V HN 0.999 nan 8.190 nan 0.000 0.431 272 N N 3.192 122.092 118.700 0.334 0.000 2.439 272 N HA 0.142 4.834 4.740 -0.080 0.000 0.243 272 N C 1.293 176.808 175.510 0.009 0.000 1.088 272 N CA 0.347 53.479 53.050 0.137 0.000 0.940 272 N CB 1.157 39.709 38.487 0.108 0.000 1.180 272 N HN 0.890 nan 8.380 nan 0.000 0.505 273 T N 0.249 114.795 114.554 -0.013 0.000 2.915 273 T HA -0.119 4.184 4.350 -0.080 0.000 0.269 273 T C 0.932 175.581 174.700 -0.085 0.000 1.071 273 T CA 0.919 63.011 62.100 -0.013 0.000 1.132 273 T CB -0.015 68.930 68.868 0.129 0.000 0.878 273 T HN 0.409 nan 8.240 nan 0.000 0.479 274 D N 2.055 122.385 120.400 -0.117 0.000 2.350 274 D HA -0.026 4.566 4.640 -0.080 0.000 0.216 274 D C 1.841 178.079 176.300 -0.104 0.000 0.968 274 D CA 1.169 55.097 54.000 -0.120 0.000 0.894 274 D CB -0.186 40.529 40.800 -0.141 0.000 0.909 274 D HN 0.690 nan 8.370 nan 0.000 0.520 275 S N -0.428 115.219 115.700 -0.088 0.000 2.622 275 S HA 0.159 4.581 4.470 -0.080 0.000 0.236 275 S C 1.598 176.143 174.600 -0.092 0.000 0.956 275 S CA -0.366 57.799 58.200 -0.057 0.000 0.971 275 S CB -0.357 62.842 63.200 -0.002 0.000 0.782 275 S HN 0.141 nan 8.310 nan 0.000 0.468 276 L N 0.298 121.397 121.223 -0.208 0.000 2.270 276 L HA 0.084 4.376 4.340 -0.080 0.000 0.210 276 L C 2.861 179.581 176.870 -0.251 0.000 1.104 276 L CA 0.757 55.381 54.840 -0.360 0.000 0.804 276 L CB -0.580 40.972 42.059 -0.845 0.000 0.937 276 L HN 0.436 nan 8.230 nan 0.000 0.450 277 S N 0.063 115.671 115.700 -0.152 0.000 2.345 277 S HA -0.169 4.254 4.470 -0.080 0.000 0.220 277 S C 2.265 176.889 174.600 0.040 0.000 1.031 277 S CA 1.728 59.932 58.200 0.007 0.000 0.996 277 S CB -0.115 63.089 63.200 0.008 0.000 0.882 277 S HN 0.565 nan 8.310 nan 0.000 0.445 278 S N 0.865 116.573 115.700 0.013 0.000 2.383 278 S HA -0.046 4.376 4.470 -0.080 0.000 0.229 278 S C 0.810 175.434 174.600 0.040 0.000 1.030 278 S CA 0.974 59.190 58.200 0.026 0.000 1.002 278 S CB -0.851 62.359 63.200 0.017 0.000 0.829 278 S HN 0.549 nan 8.310 nan 0.000 0.467 279 V N -2.078 117.862 119.914 0.043 0.000 3.102 279 V HA 0.692 4.764 4.120 -0.080 0.000 0.312 279 V C -0.445 175.701 176.094 0.087 0.000 1.135 279 V CA -1.074 61.260 62.300 0.057 0.000 1.022 279 V CB 1.510 33.363 31.823 0.050 0.000 1.056 279 V HN 0.106 nan 8.190 nan 0.000 0.436 280 T N 1.699 116.304 114.554 0.086 0.000 2.902 280 T HA 0.494 4.796 4.350 -0.080 0.000 0.283 280 T C 0.144 174.899 174.700 0.091 0.000 1.009 280 T CA 0.011 62.181 62.100 0.117 0.000 1.051 280 T CB 0.539 69.464 68.868 0.095 0.000 0.999 280 T HN 1.087 nan 8.240 nan 0.000 0.474 281 N N 1.273 120.056 118.700 0.138 0.000 2.648 281 N HA -0.131 4.561 4.740 -0.080 0.000 0.265 281 N C -0.074 175.494 175.510 0.097 0.000 1.100 281 N CA 0.571 53.688 53.050 0.112 0.000 0.715 281 N CB -0.943 37.518 38.487 -0.044 0.000 0.881 281 N HN 0.981 nan 8.380 nan 0.000 0.548 282 A N 0.920 123.811 122.820 0.119 0.000 2.587 282 A HA 0.246 4.518 4.320 -0.080 0.000 0.233 282 A C 0.660 178.306 177.584 0.103 0.000 1.049 282 A CA 0.925 53.018 52.037 0.094 0.000 0.754 282 A CB 0.171 19.215 19.000 0.073 0.000 0.977 282 A HN 0.445 nan 8.150 nan 0.000 0.509 283 T N 2.845 117.466 114.554 0.112 0.000 2.749 283 T HA 0.350 4.652 4.350 -0.080 0.000 0.295 283 T C 0.321 175.118 174.700 0.162 0.000 0.936 283 T CA -0.010 62.163 62.100 0.122 0.000 1.060 283 T CB 0.579 69.526 68.868 0.132 0.000 0.904 283 T HN 0.537 nan 8.240 nan 0.000 0.500 284 S N 3.936 119.718 115.700 0.137 0.000 2.465 284 S HA 0.322 4.745 4.470 -0.080 0.000 0.279 284 S C 0.340 175.092 174.600 0.255 0.000 1.201 284 S CA -0.774 57.527 58.200 0.167 0.000 1.053 284 S CB 0.053 63.265 63.200 0.019 0.000 0.953 284 S HN 0.458 nan 8.310 nan 0.000 0.488 285 I N 3.602 124.344 120.570 0.288 0.000 2.342 285 I HA 0.235 4.357 4.170 -0.080 0.000 0.291 285 I C 0.659 176.914 176.117 0.231 0.000 1.010 285 I CA -0.226 61.254 61.300 0.301 0.000 1.308 285 I CB 0.790 39.045 38.000 0.424 0.000 1.400 285 I HN 0.650 nan 8.210 nan 0.000 0.488 286 Q N 6.154 126.069 119.800 0.190 0.000 2.293 286 Q HA 0.454 4.746 4.340 -0.080 0.000 0.251 286 Q C -1.072 174.879 176.000 -0.081 0.000 0.930 286 Q CA -0.349 55.373 55.803 -0.136 0.000 0.893 286 Q CB 1.229 29.837 28.738 -0.217 0.000 1.215 286 Q HN 0.554 nan 8.270 nan 0.000 0.425 287 I N 4.123 124.625 120.570 -0.112 0.000 2.355 287 I HA 0.221 4.343 4.170 -0.080 0.000 0.288 287 I C 0.353 176.465 176.117 -0.009 0.000 0.999 287 I CA -0.570 60.736 61.300 0.010 0.000 1.163 287 I CB 1.585 39.631 38.000 0.076 0.000 1.316 287 I HN 0.727 nan 8.210 nan 0.000 0.454 288 T N 2.872 117.386 114.554 -0.067 0.000 2.897 288 T HA 0.696 4.998 4.350 -0.080 0.000 0.278 288 T C 0.506 175.016 174.700 -0.316 0.000 0.981 288 T CA -0.776 61.228 62.100 -0.160 0.000 0.973 288 T CB 1.460 70.234 68.868 -0.157 0.000 1.092 288 T HN 0.579 nan 8.240 nan 0.000 0.543 289 A N 1.125 123.618 122.820 -0.545 0.000 2.583 289 A HA 0.335 4.607 4.320 -0.080 0.000 0.231 289 A C -1.495 175.744 177.584 -0.575 0.000 1.065 289 A CA -0.868 50.656 52.037 -0.855 0.000 0.760 289 A CB -0.952 17.587 19.000 -0.768 0.000 1.001 289 A HN 0.741 nan 8.150 nan 0.000 0.509 290 P HA 0.277 nan 4.420 nan 0.000 0.258 290 P C 0.939 178.091 177.300 -0.246 0.000 1.403 290 P CA 1.090 63.985 63.100 -0.341 0.000 0.826 290 P CB 0.137 31.658 31.700 -0.298 0.000 1.414 291 A N -0.656 122.003 122.820 -0.269 0.000 1.691 291 A HA -0.357 3.916 4.320 -0.080 0.000 0.227 291 A C 2.086 179.572 177.584 -0.164 0.000 0.423 291 A CA 2.347 54.272 52.037 -0.186 0.000 1.102 291 A CB -2.624 16.300 19.000 -0.128 0.000 1.455 291 A HN 0.418 nan 8.150 nan 0.000 0.714 292 S N -1.094 114.528 115.700 -0.129 0.000 2.507 292 S HA 0.119 4.542 4.470 -0.080 0.000 0.235 292 S C 1.608 176.148 174.600 -0.099 0.000 0.988 292 S CA 1.664 59.819 58.200 -0.075 0.000 0.944 292 S CB -0.156 63.075 63.200 0.052 0.000 0.762 292 S HN 0.592 nan 8.310 nan 0.000 0.526 293 M N 0.519 119.983 119.600 -0.226 0.000 2.657 293 M HA 0.382 4.814 4.480 -0.080 0.000 0.262 293 M C 1.910 177.974 176.300 -0.393 0.000 1.213 293 M CA 0.534 55.637 55.300 -0.329 0.000 1.182 293 M CB -1.085 31.141 32.600 -0.625 0.000 1.303 293 M HN 0.305 nan 8.290 nan 0.000 0.501 294 L N 0.739 121.718 121.223 -0.407 0.000 2.261 294 L HA -0.151 4.141 4.340 -0.080 0.000 0.216 294 L C 2.369 179.180 176.870 -0.098 0.000 1.114 294 L CA 0.752 55.440 54.840 -0.253 0.000 0.777 294 L CB -0.688 41.235 42.059 -0.226 0.000 0.910 294 L HN 0.289 nan 8.230 nan 0.000 0.440 295 I N -0.772 119.738 120.570 -0.101 0.000 2.700 295 I HA -0.061 4.061 4.170 -0.080 0.000 0.261 295 I C 0.948 177.047 176.117 -0.031 0.000 1.219 295 I CA 0.990 62.251 61.300 -0.065 0.000 1.463 295 I CB -0.080 37.872 38.000 -0.080 0.000 1.092 295 I HN 0.189 nan 8.210 nan 0.000 0.452 296 G N -0.278 108.524 108.800 0.004 0.000 2.634 296 G HA2 0.192 4.104 3.960 -0.080 0.000 0.309 296 G HA3 0.192 4.104 3.960 -0.080 0.000 0.309 296 G C -1.807 173.141 174.900 0.082 0.000 1.299 296 G CA -0.591 44.522 45.100 0.021 0.000 0.798 296 G HN 0.054 nan 8.290 nan 0.000 0.490 297 D N 1.349 121.745 120.400 -0.008 0.000 2.424 297 D HA 0.427 5.019 4.640 -0.080 0.000 0.244 297 D C 0.387 176.607 176.300 -0.134 0.000 1.134 297 D CA 0.668 54.598 54.000 -0.117 0.000 0.881 297 D CB 0.445 41.150 40.800 -0.158 0.000 1.191 297 D HN 0.530 nan 8.370 nan 0.000 0.445 298 H N -0.537 118.391 119.070 -0.237 0.000 2.942 298 H HA 0.485 4.993 4.556 -0.080 0.000 0.316 298 H C -1.308 173.861 175.328 -0.265 0.000 1.323 298 H CA -0.807 55.095 56.048 -0.244 0.000 1.144 298 H CB 0.440 30.194 29.762 -0.014 0.000 1.866 298 H HN 0.271 nan 8.280 nan 0.000 0.545 299 Y N -0.078 120.445 120.300 0.371 0.000 2.553 299 Y HA 0.384 4.887 4.550 -0.080 0.000 0.347 299 Y C -0.445 175.726 175.900 0.451 0.000 1.019 299 Y CA -1.136 57.179 58.100 0.358 0.000 1.032 299 Y CB 2.021 40.531 38.460 0.083 0.000 1.284 299 Y HN 0.503 nan 8.280 nan 0.000 0.466 300 L N 3.166 124.707 121.223 0.530 0.000 2.265 300 L HA 0.429 4.721 4.340 -0.080 0.000 0.288 300 L C 0.393 177.268 176.870 0.008 0.000 1.058 300 L CA -0.214 54.584 54.840 -0.070 0.000 0.809 300 L CB 0.411 42.327 42.059 -0.238 0.000 1.179 300 L HN 0.972 nan 8.230 nan 0.000 0.429 301 C N 1.222 120.440 119.300 -0.137 0.000 3.392 301 C HA 0.519 4.931 4.460 -0.080 0.000 0.301 301 C C 0.171 175.133 174.990 -0.046 0.000 1.354 301 C CA -0.403 58.518 59.018 -0.162 0.000 1.732 301 C CB -0.634 27.052 27.740 -0.090 0.000 2.269 301 C HN 0.845 nan 8.230 nan 0.000 0.673 302 D N 0.490 120.823 120.400 -0.111 0.000 2.836 302 D HA 0.381 4.973 4.640 -0.080 0.000 0.215 302 D C -1.660 174.368 176.300 -0.452 0.000 1.255 302 D CA 0.152 54.076 54.000 -0.128 0.000 0.822 302 D CB 2.628 43.341 40.800 -0.144 0.000 1.656 302 D HN 0.355 nan 8.370 nan 0.000 0.511 303 V N 1.592 121.152 119.914 -0.590 0.000 2.623 303 V HA 0.813 4.886 4.120 -0.080 0.000 0.304 303 V C -1.495 174.202 176.094 -0.661 0.000 1.054 303 V CA 0.018 61.768 62.300 -0.917 0.000 0.882 303 V CB 1.827 32.727 31.823 -1.540 0.000 1.002 303 V HN 0.570 nan 8.190 nan 0.000 0.424 304 T N 6.186 120.442 114.554 -0.495 0.000 3.011 304 T HA 0.428 4.730 4.350 -0.080 0.000 0.303 304 T C -1.075 173.482 174.700 -0.239 0.000 0.997 304 T CA -0.119 61.849 62.100 -0.220 0.000 1.007 304 T CB 1.026 69.844 68.868 -0.085 0.000 1.017 304 T HN 0.789 nan 8.240 nan 0.000 0.443 305 W N 2.138 123.371 121.300 -0.112 0.000 2.266 305 W HA 0.495 5.108 4.660 -0.080 0.000 0.317 305 W C 1.100 177.499 176.519 -0.201 0.000 1.310 305 W CA -0.375 56.902 57.345 -0.113 0.000 1.207 305 W CB 0.681 30.162 29.460 0.035 0.000 1.199 305 W HN 0.869 nan 8.180 nan 0.000 0.544 306 A N 2.144 124.865 122.820 -0.165 0.000 1.920 306 A HA 0.193 4.466 4.320 -0.080 0.000 0.209 306 A C 0.930 178.487 177.584 -0.046 0.000 1.229 306 A CA 1.578 53.305 52.037 -0.516 0.000 0.671 306 A CB -0.358 17.925 19.000 -1.195 0.000 0.886 306 A HN 0.531 nan 8.150 nan 0.000 0.461 307 T N -5.722 108.902 114.554 0.116 0.000 2.618 307 T HA 0.345 4.647 4.350 -0.080 0.000 0.286 307 T C 0.128 174.992 174.700 0.274 0.000 1.027 307 T CA -0.357 61.848 62.100 0.175 0.000 1.063 307 T CB 0.626 69.580 68.868 0.143 0.000 1.440 307 T HN -0.069 nan 8.240 nan 0.000 0.505 308 Q N 0.341 120.267 119.800 0.211 0.000 2.364 308 Q HA 0.065 4.358 4.340 -0.080 0.000 0.209 308 Q C 0.750 176.995 176.000 0.408 0.000 0.977 308 Q CA 1.402 57.335 55.803 0.216 0.000 0.885 308 Q CB -0.133 28.698 28.738 0.155 0.000 0.941 308 Q HN 0.823 nan 8.270 nan 0.000 0.464 309 E N -0.462 119.983 120.200 0.407 0.000 2.921 309 E HA 0.215 4.517 4.350 -0.080 0.000 0.203 309 E C -0.303 176.555 176.600 0.430 0.000 0.975 309 E CA -0.149 56.509 56.400 0.431 0.000 1.225 309 E CB 1.169 31.026 29.700 0.261 0.000 1.048 309 E HN -0.069 nan 8.360 nan 0.000 0.477 310 R N 1.671 122.444 120.500 0.454 0.000 2.538 310 R HA 0.522 4.814 4.340 -0.080 0.000 0.292 310 R C -1.717 174.599 176.300 0.027 0.000 1.008 310 R CA -0.462 55.774 56.100 0.227 0.000 0.896 310 R CB 1.517 31.845 30.300 0.047 0.000 1.187 310 R HN 0.104 nan 8.270 nan 0.000 0.440 311 I N 2.628 123.062 120.570 -0.228 0.000 2.608 311 I HA 0.441 4.563 4.170 -0.080 0.000 0.295 311 I C -0.861 174.956 176.117 -0.500 0.000 1.049 311 I CA -0.454 60.457 61.300 -0.648 0.000 1.063 311 I CB 2.231 39.447 38.000 -1.306 0.000 1.248 311 I HN 0.772 nan 8.210 nan 0.000 0.424 312 S N 7.328 122.716 115.700 -0.521 0.000 2.503 312 S HA 0.787 5.209 4.470 -0.080 0.000 0.301 312 S C -1.197 173.096 174.600 -0.512 0.000 1.087 312 S CA -0.688 57.282 58.200 -0.383 0.000 1.042 312 S CB 1.842 64.917 63.200 -0.209 0.000 1.043 312 S HN 0.434 nan 8.310 nan 0.000 0.489 313 L N 2.081 123.018 121.223 -0.476 0.000 2.386 313 L HA 0.567 4.860 4.340 -0.080 0.000 0.271 313 L C -0.254 176.337 176.870 -0.465 0.000 0.993 313 L CA -0.218 54.227 54.840 -0.658 0.000 0.819 313 L CB 1.897 43.484 42.059 -0.787 0.000 1.294 313 L HN 0.855 nan 8.230 nan 0.000 0.414 314 Q N 1.546 121.030 119.800 -0.528 0.000 2.337 314 Q HA 0.550 4.842 4.340 -0.080 0.000 0.266 314 Q C -1.653 174.133 176.000 -0.356 0.000 1.023 314 Q CA -0.459 55.173 55.803 -0.285 0.000 0.829 314 Q CB 2.318 30.937 28.738 -0.199 0.000 1.306 314 Q HN 0.517 nan 8.270 nan 0.000 0.449 315 W N 2.234 123.488 121.300 -0.077 0.000 2.781 315 W HA 0.660 5.272 4.660 -0.080 0.000 0.345 315 W C -1.108 175.434 176.519 0.039 0.000 1.085 315 W CA -0.673 56.670 57.345 -0.004 0.000 1.198 315 W CB 1.297 30.728 29.460 -0.048 0.000 1.423 315 W HN 0.391 nan 8.180 nan 0.000 0.532 316 L N 2.257 123.711 121.223 0.384 0.000 2.464 316 L HA 0.572 4.864 4.340 -0.080 0.000 0.266 316 L C -0.313 176.735 176.870 0.297 0.000 0.965 316 L CA -0.970 54.045 54.840 0.293 0.000 0.833 316 L CB 1.387 43.606 42.059 0.266 0.000 1.296 316 L HN 0.428 nan 8.230 nan 0.000 0.405 317 R N 2.542 123.183 120.500 0.235 0.000 2.679 317 R HA 0.254 4.546 4.340 -0.080 0.000 0.269 317 R C 1.022 177.361 176.300 0.066 0.000 1.076 317 R CA -0.126 56.059 56.100 0.141 0.000 1.160 317 R CB 0.500 30.877 30.300 0.129 0.000 1.054 317 R HN 0.658 nan 8.270 nan 0.000 0.507 318 R N 1.266 121.706 120.500 -0.099 0.000 2.117 318 R HA -0.088 4.205 4.340 -0.080 0.000 0.243 318 R C 0.397 176.732 176.300 0.059 0.000 1.143 318 R CA 1.187 57.218 56.100 -0.116 0.000 0.968 318 R CB 0.145 30.336 30.300 -0.182 0.000 0.863 318 R HN 0.407 nan 8.270 nan 0.000 0.444 319 I N 2.957 123.555 120.570 0.046 0.000 2.311 319 I HA -0.012 4.110 4.170 -0.080 0.000 0.297 319 I C 0.287 176.462 176.117 0.097 0.000 1.131 319 I CA 0.501 61.837 61.300 0.059 0.000 1.289 319 I CB 0.871 38.893 38.000 0.037 0.000 1.446 319 I HN 0.322 nan 8.210 nan 0.000 0.524 320 Q N 4.167 124.029 119.800 0.104 0.000 2.362 320 Q HA -0.095 4.197 4.340 -0.080 0.000 0.210 320 Q C 0.730 176.816 176.000 0.145 0.000 0.924 320 Q CA 0.169 56.051 55.803 0.132 0.000 0.982 320 Q CB -0.304 28.484 28.738 0.084 0.000 1.028 320 Q HN 0.631 nan 8.270 nan 0.000 0.482 321 N N -0.969 117.816 118.700 0.141 0.000 2.203 321 N HA -0.046 4.646 4.740 -0.080 0.000 0.207 321 N C -1.004 174.621 175.510 0.191 0.000 1.130 321 N CA -0.141 52.984 53.050 0.126 0.000 0.861 321 N CB 0.316 38.853 38.487 0.082 0.000 1.005 321 N HN 0.171 nan 8.380 nan 0.000 0.507 322 Y N 1.189 121.518 120.300 0.049 0.000 2.361 322 Y HA 0.528 5.030 4.550 -0.080 0.000 0.328 322 Y C -1.023 174.917 175.900 0.067 0.000 1.044 322 Y CA -0.936 57.192 58.100 0.047 0.000 1.085 322 Y CB 1.487 39.965 38.460 0.030 0.000 1.194 322 Y HN 0.155 nan 8.280 nan 0.000 0.438 323 S N 3.851 119.418 115.700 -0.220 0.000 2.599 323 S HA 0.934 5.357 4.470 -0.080 0.000 0.287 323 S C -1.808 172.654 174.600 -0.230 0.000 1.105 323 S CA -0.794 57.348 58.200 -0.097 0.000 0.899 323 S CB 2.052 65.246 63.200 -0.010 0.000 1.100 323 S HN 0.418 nan 8.310 nan 0.000 0.482 324 V N 2.422 122.305 119.914 -0.052 0.000 2.709 324 V HA 0.554 4.627 4.120 -0.080 0.000 0.308 324 V C -0.587 175.536 176.094 0.048 0.000 1.062 324 V CA -0.679 61.599 62.300 -0.037 0.000 0.901 324 V CB 1.964 33.787 31.823 -0.001 0.000 1.003 324 V HN 1.029 nan 8.190 nan 0.000 0.425 325 M N 3.327 122.942 119.600 0.025 0.000 2.268 325 M HA 0.567 5.000 4.480 -0.080 0.000 0.344 325 M C -1.490 174.838 176.300 0.047 0.000 1.106 325 M CA -0.309 54.990 55.300 -0.002 0.000 1.010 325 M CB 1.468 34.016 32.600 -0.087 0.000 1.649 325 M HN 0.637 nan 8.290 nan 0.000 0.443 326 D N 4.514 124.930 120.400 0.028 0.000 2.252 326 D HA 0.559 5.151 4.640 -0.080 0.000 0.245 326 D C -1.087 175.200 176.300 -0.023 0.000 1.009 326 D CA -0.102 53.914 54.000 0.028 0.000 0.870 326 D CB 1.890 42.727 40.800 0.062 0.000 1.251 326 D HN 0.586 nan 8.370 nan 0.000 0.460 327 I N 2.331 122.911 120.570 0.017 0.000 2.411 327 I HA 0.297 4.419 4.170 -0.080 0.000 0.284 327 I C -0.679 175.447 176.117 0.015 0.000 1.012 327 I CA -0.616 60.690 61.300 0.010 0.000 1.119 327 I CB 1.278 39.344 38.000 0.110 0.000 1.261 327 I HN 0.174 nan 8.210 nan 0.000 0.448 328 c N 3.914 122.511 118.600 -0.005 0.000 2.379 328 c HA 0.529 5.051 4.570 -0.080 0.000 0.323 328 c C -0.260 173.961 174.090 0.218 0.000 1.262 328 c CA -0.746 55.642 56.329 0.099 0.000 1.581 328 c CB 0.909 43.483 42.510 0.108 0.000 2.221 328 c HN 0.604 nan 8.230 nan 0.000 0.497 329 D N 0.391 120.891 120.400 0.167 0.000 2.248 329 D HA 0.357 4.949 4.640 -0.080 0.000 0.246 329 D C -0.634 175.569 176.300 -0.163 0.000 1.027 329 D CA -0.220 53.827 54.000 0.078 0.000 0.853 329 D CB 0.798 41.608 40.800 0.016 0.000 1.243 329 D HN 0.575 nan 8.370 nan 0.000 0.462 330 Y N 1.604 121.492 120.300 -0.686 0.000 2.425 330 Y HA 0.189 4.692 4.550 -0.080 0.000 0.331 330 Y C -0.134 175.446 175.900 -0.533 0.000 1.157 330 Y CA -0.065 57.303 58.100 -1.221 0.000 1.372 330 Y CB 0.747 38.403 38.460 -1.340 0.000 1.253 330 Y HN 0.198 nan 8.280 nan 0.000 0.536 331 D N 5.578 125.326 120.400 -1.086 0.000 2.467 331 D HA 0.057 4.650 4.640 -0.080 0.000 0.220 331 D C 0.806 176.552 176.300 -0.924 0.000 1.103 331 D CA -0.105 53.469 54.000 -0.710 0.000 0.886 331 D CB 0.725 41.265 40.800 -0.434 0.000 1.025 331 D HN 0.915 nan 8.370 nan 0.000 0.514 332 E N 1.797 121.614 120.200 -0.637 0.000 2.219 332 E HA -0.197 4.106 4.350 -0.080 0.000 0.198 332 E C 0.914 177.396 176.600 -0.198 0.000 0.998 332 E CA 0.945 57.148 56.400 -0.329 0.000 0.818 332 E CB 0.275 29.953 29.700 -0.036 0.000 0.741 332 E HN 0.213 nan 8.360 nan 0.000 0.477 333 S N -1.526 114.058 115.700 -0.194 0.000 2.568 333 S HA 0.186 4.608 4.470 -0.080 0.000 0.232 333 S C 1.006 175.535 174.600 -0.118 0.000 0.975 333 S CA 0.306 58.440 58.200 -0.111 0.000 0.949 333 S CB 0.290 63.444 63.200 -0.076 0.000 0.829 333 S HN 0.193 nan 8.310 nan 0.000 0.479 334 S N -0.684 114.903 115.700 -0.189 0.000 2.727 334 S HA 0.405 4.827 4.470 -0.080 0.000 0.249 334 S C 1.298 175.818 174.600 -0.133 0.000 1.079 334 S CA 1.013 59.126 58.200 -0.145 0.000 0.912 334 S CB 0.025 63.126 63.200 -0.165 0.000 0.861 334 S HN 0.995 nan 8.310 nan 0.000 0.484 335 G N 1.477 110.121 108.800 -0.260 0.000 2.179 335 G HA2 -0.221 3.691 3.960 -0.080 0.000 0.260 335 G HA3 -0.221 3.691 3.960 -0.080 0.000 0.260 335 G C 0.133 174.994 174.900 -0.065 0.000 0.977 335 G CA 0.583 45.626 45.100 -0.096 0.000 0.641 335 G HN 0.533 nan 8.290 nan 0.000 0.533 336 R N -1.425 118.946 120.500 -0.214 0.000 2.606 336 R HA 0.743 5.035 4.340 -0.080 0.000 0.249 336 R C -0.733 175.404 176.300 -0.272 0.000 1.127 336 R CA -0.567 55.489 56.100 -0.074 0.000 1.133 336 R CB 0.416 30.700 30.300 -0.027 0.000 1.243 336 R HN 0.229 nan 8.270 nan 0.000 0.558 337 W N 0.151 121.452 121.300 0.001 0.000 2.475 337 W HA 0.454 5.066 4.660 -0.079 0.000 0.320 337 W C -0.652 175.847 176.519 -0.032 0.000 1.022 337 W CA -0.324 57.019 57.345 -0.004 0.000 1.240 337 W CB 1.109 30.575 29.460 0.008 0.000 1.328 337 W HN 0.418 nan 8.180 nan 0.000 0.439 338 N N 2.221 120.973 118.700 0.087 0.000 2.362 338 N HA 0.551 5.244 4.740 -0.080 0.000 0.298 338 N C -1.399 174.144 175.510 0.055 0.000 1.048 338 N CA -0.682 52.394 53.050 0.044 0.000 0.858 338 N CB 1.269 39.744 38.487 -0.019 0.000 1.218 338 N HN 0.178 nan 8.380 nan 0.000 0.488 339 c N 3.034 121.656 118.600 0.036 0.000 2.250 339 c HA 0.343 4.865 4.570 -0.080 0.000 0.319 339 c C 0.477 174.569 174.090 0.003 0.000 1.124 339 c CA -1.105 55.239 56.329 0.024 0.000 1.527 339 c CB -1.275 41.243 42.510 0.013 0.000 2.001 339 c HN 0.621 nan 8.230 nan 0.000 0.435 340 L N 2.590 123.817 121.223 0.007 0.000 2.559 340 L HA 0.000 4.292 4.340 -0.080 0.000 0.274 340 L C 1.702 178.563 176.870 -0.014 0.000 1.205 340 L CA 0.321 55.158 54.840 -0.005 0.000 0.907 340 L CB 0.512 42.572 42.059 0.002 0.000 1.153 340 L HN 0.672 nan 8.230 nan 0.000 0.490 341 V N 4.500 124.398 119.914 -0.027 0.000 2.490 341 V HA -0.252 3.821 4.120 -0.080 0.000 0.250 341 V C 2.242 178.308 176.094 -0.047 0.000 1.061 341 V CA 2.175 64.452 62.300 -0.038 0.000 1.064 341 V CB -0.025 31.773 31.823 -0.040 0.000 0.670 341 V HN 0.984 nan 8.190 nan 0.000 0.461 342 A N -0.451 122.345 122.820 -0.041 0.000 2.172 342 A HA -0.102 4.170 4.320 -0.080 0.000 0.216 342 A C 2.258 179.799 177.584 -0.072 0.000 1.154 342 A CA 1.452 53.457 52.037 -0.054 0.000 0.701 342 A CB -0.540 18.438 19.000 -0.036 0.000 0.789 342 A HN 0.606 nan 8.150 nan 0.000 0.465 343 R N -0.201 120.273 120.500 -0.043 0.000 2.300 343 R HA 0.037 4.329 4.340 -0.080 0.000 0.199 343 R C 0.686 176.957 176.300 -0.050 0.000 0.920 343 R CA 0.269 56.364 56.100 -0.009 0.000 1.046 343 R CB 0.090 30.427 30.300 0.061 0.000 0.984 343 R HN 0.873 nan 8.270 nan 0.000 0.493 344 Q N -0.031 119.712 119.800 -0.096 0.000 2.354 344 Q HA 0.101 4.393 4.340 -0.080 0.000 0.244 344 Q C -1.107 174.741 176.000 -0.253 0.000 0.969 344 Q CA 0.038 55.798 55.803 -0.071 0.000 0.885 344 Q CB 0.886 29.602 28.738 -0.037 0.000 1.241 344 Q HN 0.139 nan 8.270 nan 0.000 0.461 345 H N 0.924 120.001 119.070 0.013 0.000 2.658 345 H HA 0.457 4.965 4.556 -0.080 0.000 0.337 345 H C -1.026 174.282 175.328 -0.034 0.000 1.009 345 H CA -0.509 55.556 56.048 0.029 0.000 1.231 345 H CB 1.301 31.098 29.762 0.058 0.000 1.508 345 H HN 0.550 nan 8.280 nan 0.000 0.517 346 I N 2.178 122.765 120.570 0.027 0.000 2.396 346 I HA 0.215 4.337 4.170 -0.080 0.000 0.292 346 I C 0.054 176.122 176.117 -0.081 0.000 0.999 346 I CA -0.055 61.167 61.300 -0.130 0.000 1.310 346 I CB 1.151 39.048 38.000 -0.173 0.000 1.404 346 I HN 0.572 nan 8.210 nan 0.000 0.496 347 E N 8.051 128.150 120.200 -0.167 0.000 2.241 347 E HA 0.605 4.907 4.350 -0.080 0.000 0.263 347 E C -1.294 175.231 176.600 -0.124 0.000 0.882 347 E CA -0.699 55.661 56.400 -0.067 0.000 0.769 347 E CB 1.420 31.116 29.700 -0.007 0.000 1.185 347 E HN 0.613 nan 8.360 nan 0.000 0.415 348 M N 1.105 120.676 119.600 -0.049 0.000 2.664 348 M HA 0.649 5.082 4.480 -0.080 0.000 0.279 348 M C -1.159 175.158 176.300 0.029 0.000 1.275 348 M CA -0.943 54.360 55.300 0.005 0.000 0.829 348 M CB 2.307 34.959 32.600 0.086 0.000 1.727 348 M HN 0.224 nan 8.290 nan 0.000 0.459 349 S N -0.675 115.047 115.700 0.036 0.000 2.547 349 S HA 0.570 4.992 4.470 -0.080 0.000 0.281 349 S C 0.234 174.839 174.600 0.008 0.000 1.118 349 S CA 0.031 58.234 58.200 0.004 0.000 0.947 349 S CB 1.818 64.987 63.200 -0.051 0.000 1.053 349 S HN 0.929 nan 8.310 nan 0.000 0.482 350 T N -0.143 114.415 114.554 0.006 0.000 3.051 350 T HA 0.047 4.350 4.350 -0.080 0.000 0.255 350 T C 1.496 176.190 174.700 -0.009 0.000 1.085 350 T CA 1.024 63.129 62.100 0.007 0.000 1.109 350 T CB -0.463 68.412 68.868 0.012 0.000 0.921 350 T HN 0.696 nan 8.240 nan 0.000 0.488 351 T N -1.996 112.550 114.554 -0.013 0.000 3.040 351 T HA 0.615 4.917 4.350 -0.080 0.000 0.250 351 T C 1.015 175.594 174.700 -0.201 0.000 1.058 351 T CA 0.265 62.361 62.100 -0.006 0.000 0.988 351 T CB 0.420 69.350 68.868 0.103 0.000 0.993 351 T HN 0.637 nan 8.240 nan 0.000 0.519 352 G N 0.415 108.956 108.800 -0.431 0.000 2.529 352 G HA2 0.472 4.384 3.960 -0.080 0.000 0.238 352 G HA3 0.472 4.384 3.960 -0.080 0.000 0.238 352 G C -1.653 172.998 174.900 -0.416 0.000 1.207 352 G CA -0.628 43.984 45.100 -0.813 0.000 0.928 352 G HN 0.472 nan 8.290 nan 0.000 0.495 353 W N -0.096 120.960 121.300 -0.407 0.000 2.225 353 W HA 0.737 5.348 4.660 -0.082 0.000 0.377 353 W C -0.316 176.150 176.519 -0.088 0.000 1.418 353 W CA -1.265 55.962 57.345 -0.196 0.000 1.562 353 W CB 0.570 29.889 29.460 -0.234 0.000 1.297 353 W HN 0.271 nan 8.180 nan 0.000 0.686 354 V N 3.085 123.066 119.914 0.112 0.000 2.432 354 V HA 0.684 4.756 4.120 -0.080 0.000 0.275 354 V C 0.789 176.958 176.094 0.126 0.000 1.043 354 V CA 0.364 62.695 62.300 0.052 0.000 0.925 354 V CB -0.095 31.767 31.823 0.066 0.000 0.985 354 V HN 1.297 nan 8.190 nan 0.000 0.466 355 G N 5.156 113.984 108.800 0.047 0.000 2.756 355 G HA2 -0.181 3.732 3.960 -0.080 0.000 0.678 355 G HA3 -0.181 3.732 3.960 -0.080 0.000 0.678 355 G C 0.309 175.293 174.900 0.140 0.000 1.349 355 G CA 0.136 45.293 45.100 0.096 0.000 0.847 355 G HN 0.629 nan 8.290 nan 0.000 0.548 356 R N -0.848 119.723 120.500 0.118 0.000 2.057 356 R HA 0.134 4.426 4.340 -0.080 0.000 0.229 356 R C 1.870 178.120 176.300 -0.083 0.000 1.136 356 R CA 2.124 58.236 56.100 0.020 0.000 0.952 356 R CB -0.085 30.218 30.300 0.005 0.000 0.848 356 R HN 0.463 nan 8.270 nan 0.000 0.430 357 F N -0.873 119.231 119.950 0.257 0.000 2.831 357 F HA 0.265 4.744 4.527 -0.081 0.000 0.334 357 F C 0.180 176.031 175.800 0.085 0.000 1.071 357 F CA -0.479 57.618 58.000 0.163 0.000 1.172 357 F CB 0.803 39.892 39.000 0.149 0.000 1.054 357 F HN -0.097 nan 8.300 nan 0.000 0.572 358 R N -1.547 119.105 120.500 0.254 0.000 2.828 358 R HA 0.380 4.672 4.340 -0.080 0.000 0.280 358 R C -3.383 172.994 176.300 0.129 0.000 1.020 358 R CA -1.808 54.379 56.100 0.143 0.000 0.855 358 R CB 0.024 30.369 30.300 0.076 0.000 1.278 358 R HN -0.361 nan 8.270 nan 0.000 0.495 359 P HA -0.015 nan 4.420 nan 0.000 0.264 359 P C -0.225 177.110 177.300 0.057 0.000 1.193 359 P CA 0.126 63.260 63.100 0.057 0.000 0.763 359 P CB 0.800 32.511 31.700 0.018 0.000 0.810 360 S N 2.007 117.749 115.700 0.070 0.000 2.580 360 S HA 0.063 4.485 4.470 -0.080 0.000 0.266 360 S C 0.121 174.740 174.600 0.032 0.000 1.354 360 S CA -0.630 57.623 58.200 0.088 0.000 1.008 360 S CB 0.470 63.742 63.200 0.119 0.000 0.898 360 S HN 0.594 nan 8.310 nan 0.000 0.555 361 E N 1.612 121.843 120.200 0.051 0.000 2.277 361 E HA 0.406 4.708 4.350 -0.080 0.000 0.274 361 E C -2.637 173.901 176.600 -0.103 0.000 1.022 361 E CA -2.308 54.064 56.400 -0.047 0.000 0.853 361 E CB 1.074 30.756 29.700 -0.031 0.000 1.086 361 E HN 0.498 nan 8.360 nan 0.000 0.397 362 P HA 0.188 nan 4.420 nan 0.000 0.281 362 P C -1.010 176.076 177.300 -0.357 0.000 1.249 362 P CA -0.345 62.551 63.100 -0.340 0.000 0.810 362 P CB 0.832 32.008 31.700 -0.873 0.000 1.008 363 H N 2.102 121.179 119.070 0.012 0.000 2.786 363 H HA 0.278 4.786 4.556 -0.080 0.000 0.284 363 H C -0.107 175.340 175.328 0.199 0.000 1.104 363 H CA -0.364 55.781 56.048 0.162 0.000 1.339 363 H CB -0.028 29.856 29.762 0.204 0.000 1.427 363 H HN 0.303 nan 8.280 nan 0.000 0.497 364 F N 1.855 121.962 119.950 0.262 0.000 2.450 364 F HA 0.011 4.491 4.527 -0.080 0.000 0.339 364 F C 1.778 177.764 175.800 0.310 0.000 1.146 364 F CA -0.141 58.036 58.000 0.294 0.000 1.267 364 F CB 0.783 39.892 39.000 0.181 0.000 1.178 364 F HN 0.341 nan 8.300 nan 0.000 0.585 365 T N 0.430 115.275 114.554 0.486 0.000 2.754 365 T HA 0.127 4.429 4.350 -0.080 0.000 0.286 365 T C 1.184 176.077 174.700 0.322 0.000 0.997 365 T CA -0.880 61.448 62.100 0.380 0.000 0.982 365 T CB 0.654 69.732 68.868 0.350 0.000 1.027 365 T HN 0.464 nan 8.240 nan 0.000 0.529 366 L N 1.577 122.945 121.223 0.241 0.000 1.991 366 L HA -0.131 4.162 4.340 -0.080 0.000 0.221 366 L C 2.044 179.026 176.870 0.187 0.000 1.079 366 L CA 2.480 57.436 54.840 0.192 0.000 0.778 366 L CB -1.591 40.559 42.059 0.151 0.000 0.893 366 L HN 0.979 nan 8.230 nan 0.000 0.437 367 D N -1.525 118.985 120.400 0.184 0.000 2.336 367 D HA 0.069 4.661 4.640 -0.080 0.000 0.229 367 D C 1.498 177.912 176.300 0.190 0.000 1.061 367 D CA 0.728 54.827 54.000 0.164 0.000 0.875 367 D CB -0.756 40.130 40.800 0.142 0.000 0.904 367 D HN 0.481 nan 8.370 nan 0.000 0.525 368 G N 0.953 109.908 108.800 0.258 0.000 2.212 368 G HA2 -0.376 3.536 3.960 -0.080 0.000 0.267 368 G HA3 -0.376 3.536 3.960 -0.080 0.000 0.267 368 G C 0.851 175.971 174.900 0.367 0.000 1.002 368 G CA 0.505 45.797 45.100 0.321 0.000 0.729 368 G HN 0.385 nan 8.290 nan 0.000 0.517 369 N N -0.108 118.769 118.700 0.294 0.000 2.353 369 N HA 0.195 4.888 4.740 -0.080 0.000 0.185 369 N C 0.960 176.593 175.510 0.205 0.000 1.098 369 N CA 1.016 54.206 53.050 0.232 0.000 0.872 369 N CB 0.500 39.077 38.487 0.151 0.000 0.970 369 N HN 0.849 nan 8.380 nan 0.000 0.467 370 S N -0.463 115.383 115.700 0.243 0.000 2.607 370 S HA 0.793 5.215 4.470 -0.080 0.000 0.273 370 S C -0.961 173.684 174.600 0.075 0.000 1.148 370 S CA -0.970 57.242 58.200 0.021 0.000 0.833 370 S CB 1.834 65.013 63.200 -0.036 0.000 1.130 370 S HN 0.110 nan 8.310 nan 0.000 0.470 371 F N -2.018 117.753 119.950 -0.298 0.000 2.693 371 F HA 0.799 5.278 4.527 -0.080 0.000 0.309 371 F C -2.234 173.367 175.800 -0.331 0.000 1.129 371 F CA -1.520 56.241 58.000 -0.399 0.000 0.948 371 F CB 0.480 38.813 39.000 -1.112 0.000 1.315 371 F HN 0.598 nan 8.300 nan 0.000 0.447 372 Y N 1.188 121.641 120.300 0.255 0.000 2.446 372 Y HA 0.735 5.237 4.550 -0.080 0.000 0.338 372 Y C -0.138 175.936 175.900 0.289 0.000 1.055 372 Y CA -0.964 57.283 58.100 0.245 0.000 1.101 372 Y CB 2.090 40.643 38.460 0.156 0.000 1.221 372 Y HN 0.736 nan 8.280 nan 0.000 0.460 373 K N 2.385 123.025 120.400 0.400 0.000 2.542 373 K HA 0.520 4.792 4.320 -0.080 0.000 0.259 373 K C -1.826 174.931 176.600 0.262 0.000 0.932 373 K CA -0.593 55.880 56.287 0.310 0.000 0.820 373 K CB 1.668 34.300 32.500 0.220 0.000 1.345 373 K HN 0.708 nan 8.250 nan 0.000 0.432 374 I N 6.329 127.025 120.570 0.209 0.000 2.337 374 I HA 0.290 4.413 4.170 -0.080 0.000 0.291 374 I C 0.230 176.447 176.117 0.167 0.000 1.046 374 I CA -0.405 60.996 61.300 0.168 0.000 1.324 374 I CB 0.396 38.470 38.000 0.123 0.000 1.409 374 I HN 0.460 nan 8.210 nan 0.000 0.494 375 I N 2.012 122.714 120.570 0.219 0.000 3.074 375 I HA 0.516 4.638 4.170 -0.080 0.000 0.310 375 I C -0.216 176.014 176.117 0.188 0.000 1.153 375 I CA -0.787 60.633 61.300 0.200 0.000 0.993 375 I CB 2.220 40.364 38.000 0.240 0.000 1.237 375 I HN 0.358 nan 8.210 nan 0.000 0.443 376 S N 3.000 118.748 115.700 0.080 0.000 2.488 376 S HA 0.189 4.612 4.470 -0.080 0.000 0.278 376 S C 0.116 174.716 174.600 -0.000 0.000 1.259 376 S CA -0.497 57.686 58.200 -0.029 0.000 1.061 376 S CB -0.642 62.494 63.200 -0.107 0.000 0.910 376 S HN 0.891 nan 8.310 nan 0.000 0.491 377 N N 3.941 122.521 118.700 -0.200 0.000 2.328 377 N HA 0.170 4.862 4.740 -0.080 0.000 0.277 377 N C 0.391 175.788 175.510 -0.189 0.000 1.286 377 N CA -0.777 52.020 53.050 -0.422 0.000 0.949 377 N CB 0.177 38.034 38.487 -1.049 0.000 1.136 377 N HN 0.472 nan 8.380 nan 0.000 0.550 378 E N -0.179 119.913 120.200 -0.180 0.000 2.338 378 E HA -0.132 4.170 4.350 -0.080 0.000 0.197 378 E C 0.574 177.121 176.600 -0.088 0.000 1.007 378 E CA 1.043 57.387 56.400 -0.092 0.000 0.849 378 E CB -0.170 29.490 29.700 -0.067 0.000 0.774 378 E HN 0.616 nan 8.360 nan 0.000 0.506 379 E N -1.067 119.077 120.200 -0.093 0.000 2.474 379 E HA 0.151 4.453 4.350 -0.080 0.000 0.195 379 E C 0.812 177.391 176.600 -0.034 0.000 1.039 379 E CA 0.392 56.785 56.400 -0.011 0.000 0.881 379 E CB 0.527 30.272 29.700 0.075 0.000 0.970 379 E HN 0.288 nan 8.360 nan 0.000 0.486 380 G N 0.331 109.044 108.800 -0.146 0.000 2.157 380 G HA2 -0.298 3.614 3.960 -0.080 0.000 0.248 380 G HA3 -0.298 3.614 3.960 -0.080 0.000 0.248 380 G C -0.397 174.209 174.900 -0.490 0.000 0.979 380 G CA -0.023 44.883 45.100 -0.324 0.000 0.650 380 G HN 0.241 nan 8.290 nan 0.000 0.529 381 Y N 0.740 120.896 120.300 -0.239 0.000 2.330 381 Y HA 0.599 5.101 4.550 -0.080 0.000 0.336 381 Y C 1.235 176.953 175.900 -0.303 0.000 1.036 381 Y CA -0.889 57.053 58.100 -0.265 0.000 1.125 381 Y CB 0.945 39.265 38.460 -0.233 0.000 1.194 381 Y HN 0.068 nan 8.280 nan 0.000 0.469 382 R N 4.096 124.438 120.500 -0.263 0.000 2.288 382 R HA 0.209 4.501 4.340 -0.080 0.000 0.330 382 R C -0.708 175.289 176.300 -0.505 0.000 1.069 382 R CA -0.028 55.923 56.100 -0.249 0.000 0.941 382 R CB -0.006 30.201 30.300 -0.154 0.000 0.998 382 R HN 0.661 nan 8.270 nan 0.000 0.452 383 H N 1.810 120.819 119.070 -0.101 0.000 2.855 383 H HA 0.355 4.864 4.556 -0.080 0.000 0.363 383 H C 0.101 175.498 175.328 0.115 0.000 1.185 383 H CA -1.003 54.978 56.048 -0.111 0.000 1.174 383 H CB 1.757 31.337 29.762 -0.303 0.000 1.857 383 H HN 0.313 nan 8.280 nan 0.000 0.565 384 I N 2.328 122.994 120.570 0.159 0.000 2.416 384 I HA 0.063 4.185 4.170 -0.080 0.000 0.288 384 I C 0.721 176.928 176.117 0.151 0.000 1.051 384 I CA -0.130 61.246 61.300 0.128 0.000 1.375 384 I CB 0.163 38.149 38.000 -0.022 0.000 1.407 384 I HN 0.418 nan 8.210 nan 0.000 0.516 385 c N 5.451 124.072 118.600 0.036 0.000 2.707 385 c HA 0.550 5.073 4.570 -0.080 0.000 0.313 385 c C -0.496 173.495 174.090 -0.166 0.000 1.209 385 c CA -1.027 55.114 56.329 -0.312 0.000 1.635 385 c CB 1.293 43.082 42.510 -1.202 0.000 2.206 385 c HN 0.705 nan 8.230 nan 0.000 0.485 386 Y N 2.175 122.186 120.300 -0.482 0.000 2.341 386 Y HA 0.712 5.214 4.550 -0.080 0.000 0.340 386 Y C -1.138 174.352 175.900 -0.683 0.000 0.997 386 Y CA -1.324 56.423 58.100 -0.588 0.000 1.149 386 Y CB 0.360 38.562 38.460 -0.429 0.000 1.171 386 Y HN 0.715 nan 8.280 nan 0.000 0.494 387 F N 3.365 122.613 119.950 -1.169 0.000 2.538 387 F HA 0.513 4.992 4.527 -0.080 0.000 0.325 387 F C -0.322 174.732 175.800 -1.243 0.000 1.066 387 F CA -0.925 56.320 58.000 -1.258 0.000 0.946 387 F CB 1.788 39.673 39.000 -1.859 0.000 1.199 387 F HN 0.286 nan 8.300 nan 0.000 0.473 388 Q N 1.790 121.244 119.800 -0.577 0.000 2.322 388 Q HA 0.390 4.682 4.340 -0.080 0.000 0.265 388 Q C 1.016 176.965 176.000 -0.084 0.000 0.985 388 Q CA -0.352 55.246 55.803 -0.343 0.000 0.849 388 Q CB 1.606 30.191 28.738 -0.255 0.000 1.274 388 Q HN 0.689 nan 8.270 nan 0.000 0.449 389 I N -0.546 120.058 120.570 0.056 0.000 2.381 389 I HA -0.242 3.880 4.170 -0.080 0.000 0.255 389 I C 0.167 176.449 176.117 0.276 0.000 1.140 389 I CA 1.820 63.289 61.300 0.281 0.000 1.404 389 I CB -0.033 38.154 38.000 0.312 0.000 1.075 389 I HN 0.511 nan 8.210 nan 0.000 0.433 390 D N 0.017 120.494 120.400 0.128 0.000 2.462 390 D HA 0.212 4.804 4.640 -0.080 0.000 0.221 390 D C -0.042 176.266 176.300 0.013 0.000 1.173 390 D CA -0.289 53.746 54.000 0.059 0.000 0.831 390 D CB 0.023 40.844 40.800 0.034 0.000 1.001 390 D HN 0.335 nan 8.370 nan 0.000 0.499 391 K N 1.093 121.517 120.400 0.039 0.000 2.394 391 K HA 0.249 4.522 4.320 -0.080 0.000 0.260 391 K C 0.660 177.276 176.600 0.027 0.000 0.967 391 K CA -0.773 55.507 56.287 -0.012 0.000 0.855 391 K CB 2.022 34.478 32.500 -0.072 0.000 1.101 391 K HN -0.185 nan 8.250 nan 0.000 0.433 392 K N 0.818 121.192 120.400 -0.044 0.000 2.103 392 K HA -0.096 4.176 4.320 -0.080 0.000 0.207 392 K C 0.253 176.846 176.600 -0.012 0.000 1.048 392 K CA 1.330 57.590 56.287 -0.045 0.000 0.930 392 K CB 0.091 32.551 32.500 -0.066 0.000 0.716 392 K HN 0.590 nan 8.250 nan 0.000 0.444 393 D N 0.507 120.850 120.400 -0.096 0.000 2.193 393 D HA 0.142 4.734 4.640 -0.080 0.000 0.249 393 D C -0.031 176.031 176.300 -0.396 0.000 1.034 393 D CA -0.301 53.580 54.000 -0.198 0.000 0.902 393 D CB 1.757 42.461 40.800 -0.161 0.000 1.182 393 D HN 0.181 nan 8.370 nan 0.000 0.436 394 c N -0.034 118.162 118.600 -0.673 0.000 2.486 394 c HA 0.821 5.343 4.570 -0.080 0.000 0.348 394 c C 0.030 173.683 174.090 -0.728 0.000 1.203 394 c CA -0.520 55.178 56.329 -1.052 0.000 1.911 394 c CB 1.172 42.364 42.510 -2.197 0.000 2.340 394 c HN 0.484 nan 8.230 nan 0.000 0.511 395 T N 2.156 116.350 114.554 -0.599 0.000 2.792 395 T HA 0.501 4.803 4.350 -0.080 0.000 0.280 395 T C -0.709 173.762 174.700 -0.382 0.000 0.990 395 T CA 0.097 61.992 62.100 -0.343 0.000 0.960 395 T CB 0.534 69.355 68.868 -0.078 0.000 0.939 395 T HN 0.499 nan 8.240 nan 0.000 0.439 396 F N 3.165 123.019 119.950 -0.160 0.000 2.495 396 F HA 0.265 4.745 4.527 -0.079 0.000 0.365 396 F C 1.655 177.314 175.800 -0.234 0.000 1.090 396 F CA -0.933 56.961 58.000 -0.177 0.000 1.235 396 F CB 0.439 39.333 39.000 -0.176 0.000 1.119 396 F HN 0.572 nan 8.300 nan 0.000 0.562 397 I N -0.669 119.800 120.570 -0.168 0.000 3.968 397 I HA 0.221 4.343 4.170 -0.080 0.000 0.328 397 I C 0.218 176.177 176.117 -0.263 0.000 1.290 397 I CA 0.137 61.117 61.300 -0.533 0.000 1.163 397 I CB 0.050 37.422 38.000 -1.046 0.000 1.024 397 I HN 0.502 nan 8.210 nan 0.000 0.413 398 T N 0.341 114.808 114.554 -0.143 0.000 2.906 398 T HA 0.789 5.091 4.350 -0.080 0.000 0.295 398 T C -0.710 173.668 174.700 -0.537 0.000 1.075 398 T CA -0.601 61.409 62.100 -0.150 0.000 1.005 398 T CB 2.655 71.514 68.868 -0.015 0.000 1.136 398 T HN 0.434 nan 8.240 nan 0.000 0.498 399 K N -0.408 119.492 120.400 -0.833 0.000 2.615 399 K HA 0.879 5.152 4.320 -0.080 0.000 0.291 399 K C -0.252 175.686 176.600 -1.102 0.000 1.017 399 K CA -0.345 55.099 56.287 -1.406 0.000 0.882 399 K CB 0.976 33.063 32.500 -0.688 0.000 1.522 399 K HN 1.645 nan 8.250 nan 0.000 0.412 400 G N -0.469 107.725 108.800 -1.010 0.000 2.347 400 G HA2 0.177 4.089 3.960 -0.080 0.000 0.477 400 G HA3 0.177 4.089 3.960 -0.080 0.000 0.477 400 G C -0.875 173.468 174.900 -0.928 0.000 1.349 400 G CA -0.405 44.270 45.100 -0.708 0.000 1.000 400 G HN 1.290 nan 8.290 nan 0.000 0.605 401 T N -0.397 113.752 114.554 -0.675 0.000 4.058 401 T HA 0.562 4.864 4.350 -0.080 0.000 0.252 401 T C 0.210 174.727 174.700 -0.304 0.000 1.264 401 T CA 0.494 62.017 62.100 -0.961 0.000 1.094 401 T CB -0.930 67.607 68.868 -0.551 0.000 1.316 401 T HN 1.457 nan 8.240 nan 0.000 0.872 402 W N -0.311 120.885 121.300 -0.174 0.000 2.937 402 W HA 0.628 5.239 4.660 -0.081 0.000 0.360 402 W C -1.467 175.068 176.519 0.026 0.000 1.215 402 W CA -0.981 56.379 57.345 0.025 0.000 1.183 402 W CB 0.675 30.125 29.460 -0.017 0.000 1.458 402 W HN 0.164 nan 8.180 nan 0.000 0.574 403 E N 0.766 121.164 120.200 0.331 0.000 2.312 403 E HA 0.456 4.758 4.350 -0.080 0.000 0.267 403 E C -1.122 175.603 176.600 0.207 0.000 0.894 403 E CA -1.207 55.186 56.400 -0.011 0.000 0.773 403 E CB 3.337 33.042 29.700 0.008 0.000 1.241 403 E HN 0.153 nan 8.360 nan 0.000 0.432 404 V N 3.669 123.568 119.914 -0.026 0.000 2.488 404 V HA -0.007 4.065 4.120 -0.080 0.000 0.277 404 V C 1.257 177.440 176.094 0.149 0.000 1.046 404 V CA 0.023 62.397 62.300 0.124 0.000 0.986 404 V CB 0.496 32.269 31.823 -0.083 0.000 0.989 404 V HN 0.694 nan 8.190 nan 0.000 0.475 405 I N 3.325 124.021 120.570 0.209 0.000 2.277 405 I HA 0.205 4.327 4.170 -0.080 0.000 0.243 405 I C 1.136 177.376 176.117 0.204 0.000 1.094 405 I CA 1.328 62.750 61.300 0.203 0.000 1.393 405 I CB -0.774 37.295 38.000 0.115 0.000 1.078 405 I HN 0.749 nan 8.210 nan 0.000 0.417 406 G N 0.432 109.352 108.800 0.199 0.000 2.667 406 G HA2 0.534 4.446 3.960 -0.080 0.000 0.294 406 G HA3 0.534 4.446 3.960 -0.080 0.000 0.294 406 G C -1.247 173.750 174.900 0.161 0.000 1.467 406 G CA -0.553 44.658 45.100 0.185 0.000 0.852 406 G HN -0.036 nan 8.290 nan 0.000 0.521 407 I N 1.527 122.129 120.570 0.054 0.000 2.371 407 I HA 0.231 4.353 4.170 -0.080 0.000 0.290 407 I C 0.708 176.759 176.117 -0.111 0.000 1.028 407 I CA -0.493 60.730 61.300 -0.127 0.000 1.345 407 I CB 1.698 39.350 38.000 -0.580 0.000 1.407 407 I HN 0.501 nan 8.210 nan 0.000 0.501 408 E N 4.986 125.184 120.200 -0.003 0.000 2.340 408 E HA 0.337 4.639 4.350 -0.080 0.000 0.198 408 E C 0.059 176.593 176.600 -0.110 0.000 0.961 408 E CA 0.179 56.615 56.400 0.061 0.000 0.905 408 E CB 0.866 30.702 29.700 0.227 0.000 0.884 408 E HN 0.666 nan 8.360 nan 0.000 0.491 409 A N 0.636 123.298 122.820 -0.263 0.000 2.594 409 A HA 0.558 4.831 4.320 -0.080 0.000 0.296 409 A C -2.023 175.466 177.584 -0.159 0.000 1.056 409 A CA -0.675 51.114 52.037 -0.414 0.000 0.693 409 A CB 1.067 19.251 19.000 -1.361 0.000 1.278 409 A HN 0.040 nan 8.150 nan 0.000 0.408 410 L N 1.844 123.022 121.223 -0.074 0.000 2.406 410 L HA 0.838 5.131 4.340 -0.080 0.000 0.272 410 L C 0.235 177.130 176.870 0.042 0.000 0.980 410 L CA 0.511 55.352 54.840 0.002 0.000 0.831 410 L CB 2.035 44.127 42.059 0.054 0.000 1.253 410 L HN 1.200 nan 8.230 nan 0.000 0.406 411 T N -0.290 114.308 114.554 0.074 0.000 2.905 411 T HA 0.422 4.724 4.350 -0.080 0.000 0.283 411 T C 1.026 175.768 174.700 0.071 0.000 1.031 411 T CA 0.067 62.221 62.100 0.090 0.000 1.002 411 T CB 1.190 70.144 68.868 0.144 0.000 1.200 411 T HN 0.618 nan 8.240 nan 0.000 0.560 412 S N -0.484 115.257 115.700 0.068 0.000 2.447 412 S HA -0.071 4.351 4.470 -0.080 0.000 0.233 412 S C 1.064 175.657 174.600 -0.012 0.000 1.006 412 S CA 0.898 59.126 58.200 0.046 0.000 0.957 412 S CB -0.555 62.674 63.200 0.049 0.000 0.773 412 S HN 0.686 nan 8.310 nan 0.000 0.507 413 D N 0.101 120.491 120.400 -0.018 0.000 2.202 413 D HA 0.245 4.837 4.640 -0.080 0.000 0.214 413 D C -0.127 175.936 176.300 -0.394 0.000 0.967 413 D CA 0.964 54.860 54.000 -0.174 0.000 0.871 413 D CB 0.113 40.901 40.800 -0.020 0.000 1.020 413 D HN 0.445 nan 8.370 nan 0.000 0.474 414 Y N -0.860 119.381 120.300 -0.099 0.000 2.634 414 Y HA 0.522 5.024 4.550 -0.080 0.000 0.340 414 Y C -0.519 175.216 175.900 -0.276 0.000 1.058 414 Y CA -1.074 56.882 58.100 -0.240 0.000 1.081 414 Y CB 2.075 40.260 38.460 -0.458 0.000 1.295 414 Y HN -0.275 nan 8.280 nan 0.000 0.487 415 L N 1.416 122.534 121.223 -0.175 0.000 2.362 415 L HA 0.603 4.895 4.340 -0.080 0.000 0.275 415 L C -1.941 174.790 176.870 -0.232 0.000 0.998 415 L CA -0.608 54.106 54.840 -0.211 0.000 0.820 415 L CB 1.094 42.938 42.059 -0.359 0.000 1.270 415 L HN 0.603 nan 8.230 nan 0.000 0.415 416 Y N 4.492 124.706 120.300 -0.144 0.000 2.387 416 Y HA 0.601 5.103 4.550 -0.080 0.000 0.336 416 Y C -0.511 175.382 175.900 -0.013 0.000 1.067 416 Y CA -0.296 57.713 58.100 -0.151 0.000 1.114 416 Y CB 1.574 39.844 38.460 -0.316 0.000 1.208 416 Y HN 0.533 nan 8.280 nan 0.000 0.458 417 Y N -0.118 120.232 120.300 0.084 0.000 2.624 417 Y HA 0.740 5.242 4.550 -0.080 0.000 0.334 417 Y C -1.948 174.031 175.900 0.131 0.000 1.155 417 Y CA -1.947 56.199 58.100 0.075 0.000 1.046 417 Y CB 0.847 39.328 38.460 0.036 0.000 1.316 417 Y HN 0.452 nan 8.280 nan 0.000 0.457 418 I N 3.287 124.024 120.570 0.279 0.000 2.460 418 I HA 0.702 4.824 4.170 -0.080 0.000 0.298 418 I C -0.234 176.085 176.117 0.337 0.000 0.989 418 I CA -0.474 60.944 61.300 0.197 0.000 1.173 418 I CB 1.977 40.042 38.000 0.108 0.000 1.338 418 I HN 0.882 nan 8.210 nan 0.000 0.456 419 S N 2.877 118.737 115.700 0.267 0.000 2.625 419 S HA 0.378 4.800 4.470 -0.080 0.000 0.271 419 S C -0.652 174.014 174.600 0.110 0.000 1.161 419 S CA -0.925 57.416 58.200 0.234 0.000 0.820 419 S CB 1.621 64.988 63.200 0.278 0.000 1.137 419 S HN 0.641 nan 8.310 nan 0.000 0.470 420 N N -0.292 118.470 118.700 0.105 0.000 2.380 420 N HA 0.163 4.855 4.740 -0.080 0.000 0.255 420 N C 0.558 176.058 175.510 -0.018 0.000 1.158 420 N CA -0.301 52.768 53.050 0.032 0.000 0.878 420 N CB 0.277 38.773 38.487 0.015 0.000 1.138 420 N HN 0.799 nan 8.380 nan 0.000 0.509 421 E N -0.108 119.948 120.200 -0.240 0.000 2.072 421 E HA -0.196 4.106 4.350 -0.080 0.000 0.191 421 E C -0.341 176.131 176.600 -0.214 0.000 0.985 421 E CA 0.330 56.346 56.400 -0.641 0.000 0.801 421 E CB -0.068 28.637 29.700 -1.657 0.000 0.750 421 E HN 0.383 nan 8.360 nan 0.000 0.452 422 Y N 1.714 121.937 120.300 -0.128 0.000 2.881 422 Y HA -0.160 4.343 4.550 -0.079 0.000 0.335 422 Y C 0.528 176.394 175.900 -0.057 0.000 1.263 422 Y CA 0.864 58.930 58.100 -0.058 0.000 1.572 422 Y CB 0.129 38.576 38.460 -0.021 0.000 1.237 422 Y HN 0.079 nan 8.280 nan 0.000 0.568 423 K N 3.184 123.268 120.400 -0.528 0.000 3.193 423 K HA -0.229 4.043 4.320 -0.080 0.000 0.294 423 K C 0.817 177.332 176.600 -0.141 0.000 1.185 423 K CA 1.255 57.304 56.287 -0.396 0.000 0.866 423 K CB -1.589 30.653 32.500 -0.431 0.000 1.227 423 K HN 1.297 nan 8.250 nan 0.000 0.467 424 G N 0.060 108.799 108.800 -0.101 0.000 2.203 424 G HA2 -0.350 3.562 3.960 -0.080 0.000 0.263 424 G HA3 -0.350 3.562 3.960 -0.080 0.000 0.263 424 G C 0.030 174.896 174.900 -0.057 0.000 1.012 424 G CA 0.835 45.922 45.100 -0.022 0.000 0.749 424 G HN 0.412 nan 8.290 nan 0.000 0.512 425 M N -0.661 118.839 119.600 -0.166 0.000 2.061 425 M HA 0.382 4.815 4.480 -0.080 0.000 0.346 425 M C -1.389 174.654 176.300 -0.428 0.000 1.112 425 M CA -2.193 52.828 55.300 -0.466 0.000 1.021 425 M CB 1.694 34.048 32.600 -0.410 0.000 1.530 425 M HN -0.101 nan 8.290 nan 0.000 0.437 426 P HA -0.080 nan 4.420 nan 0.000 0.225 426 P C 1.096 178.257 177.300 -0.231 0.000 1.148 426 P CA 1.427 64.351 63.100 -0.293 0.000 0.779 426 P CB 0.033 31.577 31.700 -0.259 0.000 0.780 427 G N -0.691 107.915 108.800 -0.324 0.000 3.189 427 G HA2 0.306 4.218 3.960 -0.080 0.000 0.225 427 G HA3 0.306 4.218 3.960 -0.080 0.000 0.225 427 G C 0.662 175.571 174.900 0.015 0.000 1.159 427 G CA 0.076 45.113 45.100 -0.106 0.000 0.763 427 G HN 0.418 nan 8.290 nan 0.000 0.549 428 G N -0.191 108.560 108.800 -0.082 0.000 2.471 428 G HA2 0.656 4.568 3.960 -0.080 0.000 0.332 428 G HA3 0.656 4.568 3.960 -0.080 0.000 0.332 428 G C -0.834 173.959 174.900 -0.178 0.000 1.176 428 G CA -0.766 44.313 45.100 -0.036 0.000 0.949 428 G HN 0.087 nan 8.290 nan 0.000 0.488 429 R N 0.993 121.347 120.500 -0.244 0.000 2.522 429 R HA 0.390 4.682 4.340 -0.080 0.000 0.283 429 R C -1.311 174.951 176.300 -0.063 0.000 1.074 429 R CA -0.754 55.177 56.100 -0.282 0.000 0.925 429 R CB 2.120 31.991 30.300 -0.715 0.000 1.205 429 R HN 0.616 nan 8.270 nan 0.000 0.436 430 N N 1.582 120.273 118.700 -0.016 0.000 2.357 430 N HA 0.349 5.041 4.740 -0.080 0.000 0.284 430 N C -1.294 174.098 175.510 -0.196 0.000 1.236 430 N CA -0.842 52.120 53.050 -0.146 0.000 0.774 430 N CB 2.703 40.989 38.487 -0.335 0.000 1.534 430 N HN 0.241 nan 8.380 nan 0.000 0.478 431 L N 1.990 122.950 121.223 -0.438 0.000 2.276 431 L HA 0.476 4.768 4.340 -0.080 0.000 0.286 431 L C -1.416 175.083 176.870 -0.619 0.000 1.061 431 L CA 0.039 54.644 54.840 -0.391 0.000 0.807 431 L CB -0.138 41.676 42.059 -0.408 0.000 1.177 431 L HN 0.410 nan 8.230 nan 0.000 0.429 432 Y N 3.379 123.311 120.300 -0.614 0.000 2.598 432 Y HA 0.649 5.151 4.550 -0.080 0.000 0.340 432 Y C -0.453 175.045 175.900 -0.670 0.000 1.038 432 Y CA -0.840 56.837 58.100 -0.704 0.000 1.100 432 Y CB 1.677 39.528 38.460 -1.014 0.000 1.281 432 Y HN 0.573 nan 8.280 nan 0.000 0.488 433 K N 1.738 121.931 120.400 -0.345 0.000 2.482 433 K HA 0.702 4.974 4.320 -0.080 0.000 0.251 433 K C -1.973 174.559 176.600 -0.113 0.000 0.936 433 K CA -0.656 55.361 56.287 -0.449 0.000 0.791 433 K CB 2.391 34.376 32.500 -0.858 0.000 1.213 433 K HN 0.752 nan 8.250 nan 0.000 0.428 434 I N 2.325 122.919 120.570 0.041 0.000 2.404 434 I HA 0.176 4.298 4.170 -0.080 0.000 0.293 434 I C -0.578 175.647 176.117 0.180 0.000 0.992 434 I CA -0.735 60.669 61.300 0.175 0.000 1.149 434 I CB 1.877 40.007 38.000 0.216 0.000 1.315 434 I HN 0.852 nan 8.210 nan 0.000 0.446 435 Q N 5.335 125.220 119.800 0.141 0.000 2.271 435 Q HA 0.072 4.364 4.340 -0.080 0.000 0.273 435 Q C 0.211 176.157 176.000 -0.090 0.000 1.051 435 Q CA -0.435 55.256 55.803 -0.188 0.000 0.901 435 Q CB 1.118 29.757 28.738 -0.164 0.000 1.174 435 Q HN 0.753 nan 8.270 nan 0.000 0.385 436 L N 3.139 124.252 121.223 -0.183 0.000 2.201 436 L HA -0.154 4.139 4.340 -0.080 0.000 0.212 436 L C 2.213 179.014 176.870 -0.116 0.000 1.105 436 L CA 1.793 56.607 54.840 -0.044 0.000 0.775 436 L CB -0.795 41.202 42.059 -0.103 0.000 0.913 436 L HN 0.754 nan 8.230 nan 0.000 0.440 437 S N -2.695 112.885 115.700 -0.201 0.000 2.528 437 S HA 0.033 4.455 4.470 -0.080 0.000 0.219 437 S C 0.546 174.977 174.600 -0.283 0.000 0.985 437 S CA 0.107 58.172 58.200 -0.224 0.000 0.914 437 S CB 0.079 63.175 63.200 -0.174 0.000 0.776 437 S HN 0.369 nan 8.310 nan 0.000 0.526 438 D N -0.005 120.238 120.400 -0.261 0.000 2.351 438 D HA 0.211 4.803 4.640 -0.080 0.000 0.235 438 D C -0.619 175.637 176.300 -0.075 0.000 1.331 438 D CA -0.571 53.291 54.000 -0.229 0.000 0.959 438 D CB 0.092 40.817 40.800 -0.126 0.000 1.432 438 D HN 0.003 nan 8.370 nan 0.000 0.544 439 Y N 1.173 121.456 120.300 -0.028 0.000 2.716 439 Y HA -0.029 4.474 4.550 -0.079 0.000 0.302 439 Y C 2.221 178.133 175.900 0.020 0.000 1.160 439 Y CA 0.615 58.714 58.100 -0.002 0.000 1.362 439 Y CB -0.773 37.689 38.460 0.003 0.000 0.988 439 Y HN 0.288 nan 8.280 nan 0.000 0.546 440 T N -0.731 113.894 114.554 0.118 0.000 3.043 440 T HA -0.023 4.279 4.350 -0.080 0.000 0.263 440 T C 0.893 175.643 174.700 0.083 0.000 1.094 440 T CA 0.512 62.662 62.100 0.083 0.000 1.127 440 T CB 0.011 68.900 68.868 0.035 0.000 0.905 440 T HN 0.070 nan 8.240 nan 0.000 0.490 441 K N 2.974 123.424 120.400 0.084 0.000 2.180 441 K HA 0.402 4.675 4.320 -0.080 0.000 0.250 441 K C -0.977 175.699 176.600 0.128 0.000 1.135 441 K CA -0.060 56.281 56.287 0.090 0.000 1.037 441 K CB 0.572 33.119 32.500 0.078 0.000 1.624 441 K HN 0.095 nan 8.250 nan 0.000 0.382 442 V N 2.169 122.154 119.914 0.118 0.000 2.417 442 V HA 0.324 4.396 4.120 -0.080 0.000 0.291 442 V C 0.035 176.185 176.094 0.093 0.000 1.024 442 V CA -0.602 61.779 62.300 0.135 0.000 0.861 442 V CB 1.885 33.810 31.823 0.170 0.000 0.985 442 V HN 0.537 nan 8.190 nan 0.000 0.436 443 T N 3.138 117.715 114.554 0.038 0.000 2.863 443 T HA 0.320 4.623 4.350 -0.080 0.000 0.285 443 T C -0.633 173.973 174.700 -0.157 0.000 1.009 443 T CA -0.356 61.712 62.100 -0.054 0.000 0.989 443 T CB 1.578 70.377 68.868 -0.116 0.000 1.004 443 T HN 0.758 nan 8.240 nan 0.000 0.455 444 C N 4.743 123.862 119.300 -0.302 0.000 2.273 444 C HA 0.499 4.911 4.460 -0.080 0.000 0.328 444 C C 1.603 176.247 174.990 -0.577 0.000 1.275 444 C CA -0.674 57.887 59.018 -0.761 0.000 1.704 444 C CB -1.758 25.420 27.740 -0.937 0.000 2.326 444 C HN 0.993 nan 8.230 nan 0.000 0.517 445 L N 4.518 125.387 121.223 -0.591 0.000 2.375 445 L HA 0.071 4.363 4.340 -0.080 0.000 0.215 445 L C 2.199 178.757 176.870 -0.520 0.000 1.108 445 L CA 1.087 55.659 54.840 -0.447 0.000 0.830 445 L CB -0.304 41.532 42.059 -0.372 0.000 0.959 445 L HN 0.883 nan 8.230 nan 0.000 0.457 446 S N -2.930 112.347 115.700 -0.704 0.000 2.554 446 S HA -0.017 4.405 4.470 -0.080 0.000 0.227 446 S C 1.909 176.114 174.600 -0.658 0.000 1.050 446 S CA -0.070 57.617 58.200 -0.855 0.000 0.927 446 S CB -0.337 61.933 63.200 -1.550 0.000 0.859 446 S HN 0.299 nan 8.310 nan 0.000 0.494 447 C N 2.158 121.036 119.300 -0.703 0.000 2.375 447 C HA -0.064 4.348 4.460 -0.080 0.000 0.274 447 C C 2.628 177.321 174.990 -0.495 0.000 1.190 447 C CA 1.649 60.184 59.018 -0.804 0.000 1.775 447 C CB -1.135 25.859 27.740 -1.243 0.000 2.067 447 C HN 0.608 nan 8.230 nan 0.000 0.463 448 E N 0.010 119.996 120.200 -0.357 0.000 2.474 448 E HA 0.141 4.443 4.350 -0.080 0.000 0.194 448 E C 1.959 178.501 176.600 -0.096 0.000 1.041 448 E CA 0.024 56.319 56.400 -0.174 0.000 0.874 448 E CB -0.286 29.329 29.700 -0.141 0.000 0.914 448 E HN 0.567 nan 8.360 nan 0.000 0.498 449 L N 0.281 121.442 121.223 -0.103 0.000 2.043 449 L HA -0.152 4.140 4.340 -0.080 0.000 0.212 449 L C 0.961 177.840 176.870 0.015 0.000 1.075 449 L CA 1.101 55.924 54.840 -0.029 0.000 0.752 449 L CB -0.153 41.905 42.059 -0.002 0.000 0.891 449 L HN 0.135 nan 8.230 nan 0.000 0.432 450 N N -1.605 117.118 118.700 0.038 0.000 3.111 450 N HA 0.061 4.753 4.740 -0.080 0.000 0.200 450 N C -2.101 173.436 175.510 0.046 0.000 1.464 450 N CA -0.768 52.302 53.050 0.033 0.000 0.758 450 N CB 0.674 39.176 38.487 0.026 0.000 1.548 450 N HN -0.187 nan 8.380 nan 0.000 0.595 451 P HA -0.158 nan 4.420 nan 0.000 0.218 451 P C 0.949 178.295 177.300 0.077 0.000 1.146 451 P CA 1.078 64.232 63.100 0.090 0.000 0.813 451 P CB 0.734 32.503 31.700 0.116 0.000 0.778 452 E N -0.246 119.980 120.200 0.044 0.000 2.051 452 E HA -0.119 4.184 4.350 -0.080 0.000 0.189 452 E C 2.292 178.895 176.600 0.006 0.000 0.979 452 E CA 0.753 57.169 56.400 0.027 0.000 0.803 452 E CB -0.091 29.618 29.700 0.014 0.000 0.761 452 E HN 0.215 nan 8.360 nan 0.000 0.451 453 R N -0.652 119.840 120.500 -0.012 0.000 2.189 453 R HA 0.067 4.359 4.340 -0.080 0.000 0.203 453 R C 0.012 176.267 176.300 -0.074 0.000 1.012 453 R CA 0.439 56.508 56.100 -0.051 0.000 1.015 453 R CB 0.407 30.667 30.300 -0.066 0.000 0.938 453 R HN 0.029 nan 8.270 nan 0.000 0.472 454 c N 1.058 119.624 118.600 -0.057 0.000 2.316 454 c HA 0.422 4.944 4.570 -0.080 0.000 0.324 454 c C 0.009 174.068 174.090 -0.052 0.000 1.226 454 c CA -0.692 55.546 56.329 -0.152 0.000 1.450 454 c CB 1.362 43.725 42.510 -0.246 0.000 2.123 454 c HN 0.505 nan 8.230 nan 0.000 0.454 455 Q N 0.472 120.235 119.800 -0.060 0.000 2.103 455 Q HA 0.204 4.496 4.340 -0.080 0.000 0.219 455 Q C -1.023 175.022 176.000 0.074 0.000 0.784 455 Q CA 0.066 55.911 55.803 0.071 0.000 1.014 455 Q CB 1.334 30.135 28.738 0.105 0.000 1.183 455 Q HN 0.800 nan 8.270 nan 0.000 0.469 456 Y N 0.319 120.494 120.300 -0.208 0.000 2.317 456 Y HA 0.382 4.884 4.550 -0.080 0.000 0.325 456 Y C -1.724 174.004 175.900 -0.287 0.000 1.066 456 Y CA -1.032 56.980 58.100 -0.146 0.000 1.203 456 Y CB 0.910 39.299 38.460 -0.119 0.000 1.127 456 Y HN -0.076 nan 8.280 nan 0.000 0.451 457 Y N 2.435 122.666 120.300 -0.116 0.000 2.524 457 Y HA 0.692 5.194 4.550 -0.079 0.000 0.344 457 Y C 0.077 175.929 175.900 -0.079 0.000 1.012 457 Y CA -0.696 57.357 58.100 -0.079 0.000 1.068 457 Y CB 2.390 40.771 38.460 -0.130 0.000 1.249 457 Y HN 0.529 nan 8.280 nan 0.000 0.468 458 S N 0.757 116.555 115.700 0.163 0.000 2.632 458 S HA 0.890 5.312 4.470 -0.080 0.000 0.289 458 S C -1.480 173.196 174.600 0.127 0.000 1.115 458 S CA -0.805 57.474 58.200 0.131 0.000 0.889 458 S CB 1.969 65.260 63.200 0.152 0.000 1.116 458 S HN 0.630 nan 8.310 nan 0.000 0.486 459 V N 0.084 120.070 119.914 0.119 0.000 3.147 459 V HA 0.868 4.940 4.120 -0.080 0.000 0.306 459 V C -1.384 174.790 176.094 0.133 0.000 1.209 459 V CA -0.272 62.070 62.300 0.069 0.000 1.023 459 V CB 2.321 34.093 31.823 -0.085 0.000 1.059 459 V HN 1.213 nan 8.190 nan 0.000 0.435 460 S N 4.294 120.063 115.700 0.116 0.000 2.789 460 S HA 0.665 5.088 4.470 -0.080 0.000 0.286 460 S C -1.254 173.488 174.600 0.237 0.000 1.153 460 S CA -0.376 57.991 58.200 0.279 0.000 1.084 460 S CB 0.416 63.848 63.200 0.387 0.000 1.036 460 S HN 0.506 nan 8.310 nan 0.000 0.484 461 F N 3.182 123.177 119.950 0.076 0.000 2.375 461 F HA 0.448 4.927 4.527 -0.080 0.000 0.333 461 F C 1.465 176.842 175.800 -0.706 0.000 1.104 461 F CA -0.212 57.664 58.000 -0.206 0.000 1.149 461 F CB 1.413 40.273 39.000 -0.232 0.000 1.190 461 F HN 0.652 nan 8.300 nan 0.000 0.533 462 S N 2.169 117.249 115.700 -1.034 0.000 2.617 462 S HA 0.137 4.559 4.470 -0.080 0.000 0.255 462 S C 1.236 175.583 174.600 -0.422 0.000 1.318 462 S CA -0.757 56.593 58.200 -1.418 0.000 0.978 462 S CB 0.645 63.059 63.200 -1.310 0.000 0.961 462 S HN 0.568 nan 8.310 nan 0.000 0.582 463 K N 0.757 121.049 120.400 -0.180 0.000 2.074 463 K HA -0.089 4.184 4.320 -0.080 0.000 0.209 463 K C 0.808 177.394 176.600 -0.024 0.000 1.048 463 K CA 1.446 57.725 56.287 -0.014 0.000 0.926 463 K CB -0.353 32.193 32.500 0.076 0.000 0.713 463 K HN 0.655 nan 8.250 nan 0.000 0.444 464 E N -0.901 119.259 120.200 -0.068 0.000 2.651 464 E HA 0.234 4.536 4.350 -0.080 0.000 0.208 464 E C 0.028 176.573 176.600 -0.092 0.000 0.997 464 E CA 0.005 56.375 56.400 -0.050 0.000 1.020 464 E CB 0.666 30.348 29.700 -0.030 0.000 1.052 464 E HN 0.213 nan 8.360 nan 0.000 0.465 465 A N 1.262 124.009 122.820 -0.121 0.000 2.860 465 A HA -0.333 3.939 4.320 -0.080 0.000 0.267 465 A C 1.526 179.059 177.584 -0.085 0.000 1.421 465 A CA 1.721 53.699 52.037 -0.099 0.000 0.831 465 A CB -2.088 16.737 19.000 -0.292 0.000 1.041 465 A HN 0.280 nan 8.150 nan 0.000 0.623 466 K N -1.796 118.488 120.400 -0.193 0.000 2.155 466 K HA 0.126 4.398 4.320 -0.080 0.000 0.203 466 K C 0.301 176.545 176.600 -0.593 0.000 1.052 466 K CA 1.560 57.618 56.287 -0.381 0.000 0.948 466 K CB -0.022 32.192 32.500 -0.477 0.000 0.728 466 K HN 0.691 nan 8.250 nan 0.000 0.448 467 Y N -1.432 118.763 120.300 -0.175 0.000 2.638 467 Y HA 0.357 4.859 4.550 -0.080 0.000 0.339 467 Y C -1.122 174.680 175.900 -0.163 0.000 1.084 467 Y CA -1.301 56.700 58.100 -0.165 0.000 1.068 467 Y CB 1.751 40.133 38.460 -0.130 0.000 1.294 467 Y HN -0.020 nan 8.280 nan 0.000 0.480 468 Y N -1.149 119.130 120.300 -0.035 0.000 2.521 468 Y HA 0.445 4.947 4.550 -0.080 0.000 0.332 468 Y C -1.429 174.486 175.900 0.024 0.000 1.121 468 Y CA -1.362 56.574 58.100 -0.273 0.000 1.037 468 Y CB 1.343 39.112 38.460 -1.151 0.000 1.330 468 Y HN 0.600 nan 8.280 nan 0.000 0.452 469 Q N 4.218 124.165 119.800 0.244 0.000 2.278 469 Q HA 0.554 4.846 4.340 -0.080 0.000 0.257 469 Q C -1.742 174.367 176.000 0.181 0.000 0.928 469 Q CA -0.704 55.204 55.803 0.175 0.000 0.932 469 Q CB 1.296 30.112 28.738 0.129 0.000 1.221 469 Q HN 0.964 nan 8.270 nan 0.000 0.434 470 L N 4.791 126.137 121.223 0.205 0.000 2.289 470 L HA 0.525 4.817 4.340 -0.080 0.000 0.285 470 L C -0.362 176.602 176.870 0.156 0.000 1.049 470 L CA -0.580 54.371 54.840 0.186 0.000 0.804 470 L CB 1.212 43.368 42.059 0.162 0.000 1.195 470 L HN 0.626 nan 8.230 nan 0.000 0.428 471 R N 2.839 123.409 120.500 0.116 0.000 2.409 471 R HA 0.384 4.676 4.340 -0.080 0.000 0.313 471 R C -0.985 175.194 176.300 -0.202 0.000 0.953 471 R CA -0.596 55.400 56.100 -0.173 0.000 0.849 471 R CB 1.595 31.822 30.300 -0.120 0.000 1.171 471 R HN 0.566 nan 8.270 nan 0.000 0.458 472 c N 2.797 121.139 118.600 -0.431 0.000 2.307 472 c HA 0.412 4.934 4.570 -0.080 0.000 0.340 472 c C 1.438 175.286 174.090 -0.403 0.000 1.275 472 c CA -0.279 55.670 56.329 -0.634 0.000 1.811 472 c CB 0.400 42.499 42.510 -0.684 0.000 2.372 472 c HN 1.008 nan 8.230 nan 0.000 0.531 473 S N 3.658 119.212 115.700 -0.244 0.000 2.578 473 S HA 0.606 5.029 4.470 -0.080 0.000 0.231 473 S C 0.471 175.025 174.600 -0.077 0.000 0.994 473 S CA 0.253 58.375 58.200 -0.130 0.000 0.956 473 S CB 0.073 63.229 63.200 -0.074 0.000 0.870 473 S HN 1.916 nan 8.310 nan 0.000 0.494 474 G N 1.725 110.466 108.800 -0.098 0.000 2.316 474 G HA2 0.407 4.319 3.960 -0.080 0.000 0.296 474 G HA3 0.407 4.319 3.960 -0.080 0.000 0.296 474 G C -3.040 171.836 174.900 -0.041 0.000 1.399 474 G CA -0.520 44.565 45.100 -0.026 0.000 0.833 474 G HN -0.131 nan 8.290 nan 0.000 0.565 475 P HA 0.146 nan 4.420 nan 0.000 0.241 475 P C 1.161 178.475 177.300 0.023 0.000 1.191 475 P CA 1.215 64.340 63.100 0.043 0.000 0.771 475 P CB 0.501 32.228 31.700 0.044 0.000 0.929 476 G N 0.289 109.035 108.800 -0.090 0.000 2.531 476 G HA2 0.454 4.366 3.960 -0.080 0.000 0.281 476 G HA3 0.454 4.366 3.960 -0.080 0.000 0.281 476 G C -0.336 174.311 174.900 -0.421 0.000 1.382 476 G CA -0.796 44.166 45.100 -0.230 0.000 1.045 476 G HN 0.025 nan 8.290 nan 0.000 0.533 477 L N 1.163 122.077 121.223 -0.515 0.000 2.456 477 L HA 0.169 4.461 4.340 -0.080 0.000 0.272 477 L C -1.886 174.840 176.870 -0.241 0.000 1.189 477 L CA -1.267 53.271 54.840 -0.503 0.000 0.846 477 L CB 0.634 42.471 42.059 -0.371 0.000 1.111 477 L HN 0.223 nan 8.230 nan 0.000 0.475 478 P HA -0.017 nan 4.420 nan 0.000 0.264 478 P C -0.919 176.306 177.300 -0.125 0.000 1.179 478 P CA 0.143 63.164 63.100 -0.132 0.000 0.763 478 P CB 0.486 32.195 31.700 0.015 0.000 0.806 479 L N 5.089 126.151 121.223 -0.269 0.000 2.439 479 L HA 0.476 4.768 4.340 -0.080 0.000 0.270 479 L C -1.819 174.913 176.870 -0.230 0.000 0.972 479 L CA -0.670 54.086 54.840 -0.141 0.000 0.836 479 L CB 0.973 42.967 42.059 -0.109 0.000 1.255 479 L HN 0.215 nan 8.230 nan 0.000 0.404 480 Y N 2.761 123.029 120.300 -0.055 0.000 2.335 480 Y HA 0.764 5.266 4.550 -0.079 0.000 0.338 480 Y C 0.504 176.310 175.900 -0.156 0.000 0.977 480 Y CA -0.478 57.573 58.100 -0.082 0.000 1.114 480 Y CB 2.128 40.517 38.460 -0.119 0.000 1.182 480 Y HN 0.686 nan 8.280 nan 0.000 0.463 481 T N 0.729 115.300 114.554 0.027 0.000 2.906 481 T HA 0.715 5.017 4.350 -0.080 0.000 0.295 481 T C -1.502 173.104 174.700 -0.157 0.000 1.075 481 T CA -0.901 61.135 62.100 -0.107 0.000 1.005 481 T CB 2.020 70.858 68.868 -0.051 0.000 1.136 481 T HN 0.392 nan 8.240 nan 0.000 0.498 482 L N 1.435 122.442 121.223 -0.361 0.000 2.329 482 L HA 0.735 5.027 4.340 -0.080 0.000 0.279 482 L C -1.253 175.251 176.870 -0.610 0.000 1.014 482 L CA -0.252 54.405 54.840 -0.306 0.000 0.814 482 L CB 1.318 43.245 42.059 -0.219 0.000 1.257 482 L HN 0.895 nan 8.230 nan 0.000 0.424 483 H N 0.432 119.261 119.070 -0.401 0.000 2.865 483 H HA 0.696 5.204 4.556 -0.080 0.000 0.372 483 H C -0.765 174.331 175.328 -0.386 0.000 1.173 483 H CA -0.737 54.982 56.048 -0.548 0.000 1.147 483 H CB 1.838 30.903 29.762 -1.161 0.000 1.805 483 H HN 0.550 nan 8.280 nan 0.000 0.553 484 S N 0.021 115.649 115.700 -0.120 0.000 2.462 484 S HA 0.250 4.672 4.470 -0.080 0.000 0.294 484 S C 0.403 174.931 174.600 -0.119 0.000 1.144 484 S CA -0.773 57.341 58.200 -0.143 0.000 1.088 484 S CB 1.646 64.789 63.200 -0.094 0.000 1.009 484 S HN 0.581 nan 8.310 nan 0.000 0.484 485 S N 2.050 117.692 115.700 -0.097 0.000 2.447 485 S HA -0.075 4.348 4.470 -0.080 0.000 0.233 485 S C 1.865 176.489 174.600 0.040 0.000 1.006 485 S CA 0.603 58.868 58.200 0.107 0.000 0.957 485 S CB -0.443 62.821 63.200 0.108 0.000 0.773 485 S HN 0.593 nan 8.310 nan 0.000 0.507 486 V N 2.733 122.620 119.914 -0.046 0.000 2.231 486 V HA -0.254 3.818 4.120 -0.080 0.000 0.250 486 V C 1.497 177.597 176.094 0.010 0.000 1.058 486 V CA 1.916 64.207 62.300 -0.016 0.000 1.022 486 V CB -0.406 31.392 31.823 -0.042 0.000 0.640 486 V HN 0.592 nan 8.190 nan 0.000 0.445 487 N N -1.676 117.026 118.700 0.004 0.000 2.197 487 N HA 0.069 4.761 4.740 -0.080 0.000 0.228 487 N C -0.394 175.125 175.510 0.015 0.000 1.212 487 N CA 0.236 53.291 53.050 0.009 0.000 0.883 487 N CB 0.709 39.200 38.487 0.007 0.000 1.107 487 N HN 0.365 nan 8.380 nan 0.000 0.519 488 D N 1.313 121.738 120.400 0.042 0.000 3.012 488 D HA -0.150 4.442 4.640 -0.080 0.000 0.222 488 D C -0.300 176.038 176.300 0.062 0.000 1.167 488 D CA 1.152 55.201 54.000 0.081 0.000 0.854 488 D CB -0.690 40.150 40.800 0.066 0.000 1.107 488 D HN 0.417 nan 8.370 nan 0.000 0.421 489 K N 0.372 120.787 120.400 0.026 0.000 2.380 489 K HA 0.294 4.566 4.320 -0.080 0.000 0.267 489 K C 1.087 177.686 176.600 -0.000 0.000 0.990 489 K CA 0.432 56.727 56.287 0.014 0.000 0.946 489 K CB 0.570 33.063 32.500 -0.010 0.000 0.937 489 K HN 0.116 nan 8.250 nan 0.000 0.491 490 G N 2.754 111.526 108.800 -0.046 0.000 2.571 490 G HA2 0.256 4.168 3.960 -0.080 0.000 0.327 490 G HA3 0.256 4.168 3.960 -0.080 0.000 0.327 490 G C 1.061 175.790 174.900 -0.284 0.000 1.008 490 G CA -0.530 44.381 45.100 -0.315 0.000 1.136 490 G HN 0.525 nan 8.290 nan 0.000 0.444 491 L N 1.288 122.334 121.223 -0.294 0.000 2.043 491 L HA 0.022 4.314 4.340 -0.080 0.000 0.212 491 L C 1.754 178.524 176.870 -0.166 0.000 1.075 491 L CA 1.340 56.079 54.840 -0.169 0.000 0.752 491 L CB -0.466 41.518 42.059 -0.125 0.000 0.891 491 L HN 0.740 nan 8.230 nan 0.000 0.432 492 R N -2.652 117.704 120.500 -0.240 0.000 2.829 492 R HA 0.383 4.676 4.340 -0.080 0.000 0.283 492 R C -1.640 174.526 176.300 -0.223 0.000 1.013 492 R CA -0.972 55.015 56.100 -0.187 0.000 0.848 492 R CB 1.084 31.302 30.300 -0.137 0.000 1.291 492 R HN -0.278 nan 8.270 nan 0.000 0.496 493 V N 2.815 122.627 119.914 -0.170 0.000 2.432 493 V HA 0.188 4.260 4.120 -0.080 0.000 0.271 493 V C 1.346 177.304 176.094 -0.225 0.000 1.046 493 V CA -0.399 61.804 62.300 -0.162 0.000 0.945 493 V CB 1.045 32.809 31.823 -0.098 0.000 0.992 493 V HN 0.622 nan 8.190 nan 0.000 0.471 494 L N 2.544 123.567 121.223 -0.332 0.000 2.168 494 L HA 0.280 4.572 4.340 -0.080 0.000 0.203 494 L C 0.752 177.382 176.870 -0.400 0.000 1.078 494 L CA 0.760 55.222 54.840 -0.630 0.000 0.780 494 L CB 0.199 41.530 42.059 -1.214 0.000 0.939 494 L HN 0.698 nan 8.230 nan 0.000 0.451 495 E N -0.109 119.996 120.200 -0.158 0.000 2.397 495 E HA 0.095 4.397 4.350 -0.080 0.000 0.293 495 E C -1.289 175.374 176.600 0.104 0.000 0.930 495 E CA -0.371 56.038 56.400 0.014 0.000 0.793 495 E CB 1.156 30.888 29.700 0.053 0.000 1.259 495 E HN 0.151 nan 8.360 nan 0.000 0.406 496 D N 3.155 123.592 120.400 0.061 0.000 2.503 496 D HA 0.147 4.739 4.640 -0.080 0.000 0.218 496 D C -0.325 175.996 176.300 0.035 0.000 1.183 496 D CA -0.249 53.775 54.000 0.041 0.000 0.827 496 D CB -0.116 40.685 40.800 0.002 0.000 1.034 496 D HN 0.475 nan 8.370 nan 0.000 0.510 497 N N 0.624 119.362 118.700 0.064 0.000 2.708 497 N HA -0.223 4.469 4.740 -0.080 0.000 0.249 497 N C 0.920 176.444 175.510 0.023 0.000 1.097 497 N CA 0.933 54.014 53.050 0.052 0.000 0.710 497 N CB -1.189 37.322 38.487 0.041 0.000 1.032 497 N HN 0.490 nan 8.380 nan 0.000 0.551 498 S N -1.044 114.668 115.700 0.021 0.000 2.399 498 S HA -0.072 4.350 4.470 -0.080 0.000 0.231 498 S C 2.101 176.716 174.600 0.025 0.000 1.022 498 S CA 0.972 59.179 58.200 0.011 0.000 0.983 498 S CB -0.132 63.075 63.200 0.011 0.000 0.803 498 S HN 0.525 nan 8.310 nan 0.000 0.480 499 A N 1.973 124.819 122.820 0.042 0.000 1.902 499 A HA 0.077 4.349 4.320 -0.080 0.000 0.217 499 A C 2.211 179.839 177.584 0.074 0.000 1.181 499 A CA 1.528 53.599 52.037 0.057 0.000 0.623 499 A CB -0.847 18.191 19.000 0.064 0.000 0.818 499 A HN 0.494 nan 8.150 nan 0.000 0.443 500 L N 0.487 121.757 121.223 0.078 0.000 2.046 500 L HA -0.150 4.143 4.340 -0.080 0.000 0.208 500 L C 1.909 178.810 176.870 0.051 0.000 1.077 500 L CA 2.804 57.705 54.840 0.102 0.000 0.747 500 L CB -0.800 41.322 42.059 0.105 0.000 0.896 500 L HN 0.534 nan 8.230 nan 0.000 0.432 501 D N -1.010 119.394 120.400 0.007 0.000 2.123 501 D HA -0.232 4.360 4.640 -0.080 0.000 0.196 501 D C 2.015 178.314 176.300 -0.001 0.000 0.992 501 D CA 1.218 55.203 54.000 -0.025 0.000 0.833 501 D CB 0.112 40.888 40.800 -0.040 0.000 0.954 501 D HN 0.118 nan 8.370 nan 0.000 0.455 502 K N -0.148 120.265 120.400 0.022 0.000 2.057 502 K HA -0.076 4.196 4.320 -0.080 0.000 0.206 502 K C 2.233 178.862 176.600 0.049 0.000 1.050 502 K CA 0.722 57.029 56.287 0.032 0.000 0.935 502 K CB -0.504 32.020 32.500 0.040 0.000 0.715 502 K HN 0.362 nan 8.250 nan 0.000 0.439 503 M N 0.445 120.094 119.600 0.080 0.000 2.108 503 M HA -0.151 4.282 4.480 -0.080 0.000 0.261 503 M C 1.994 178.321 176.300 0.045 0.000 1.066 503 M CA 1.423 56.802 55.300 0.132 0.000 1.107 503 M CB -0.113 32.639 32.600 0.254 0.000 1.356 503 M HN 0.036 nan 8.290 nan 0.000 0.406 504 L N -0.218 120.982 121.223 -0.039 0.000 2.291 504 L HA -0.182 4.110 4.340 -0.080 0.000 0.214 504 L C 2.417 179.252 176.870 -0.060 0.000 1.120 504 L CA 0.758 55.518 54.840 -0.134 0.000 0.799 504 L CB -0.693 41.291 42.059 -0.124 0.000 0.925 504 L HN 0.464 nan 8.230 nan 0.000 0.446 505 Q N -0.881 118.909 119.800 -0.018 0.000 2.500 505 Q HA -0.135 4.157 4.340 -0.080 0.000 0.213 505 Q C 1.171 177.182 176.000 0.018 0.000 0.974 505 Q CA 0.844 56.647 55.803 -0.000 0.000 0.918 505 Q CB -0.306 28.436 28.738 0.006 0.000 0.980 505 Q HN 0.427 nan 8.270 nan 0.000 0.505 506 N N 0.933 119.647 118.700 0.024 0.000 2.270 506 N HA 0.084 4.776 4.740 -0.080 0.000 0.198 506 N C -0.735 174.807 175.510 0.053 0.000 1.117 506 N CA 0.170 53.249 53.050 0.048 0.000 0.845 506 N CB 1.336 39.865 38.487 0.071 0.000 0.980 506 N HN 0.209 nan 8.380 nan 0.000 0.486 507 V N 0.253 120.180 119.914 0.022 0.000 2.876 507 V HA 0.331 4.403 4.120 -0.080 0.000 0.312 507 V C -1.040 175.068 176.094 0.024 0.000 1.085 507 V CA -0.813 61.507 62.300 0.032 0.000 0.945 507 V CB 2.218 34.045 31.823 0.007 0.000 1.017 507 V HN -0.034 nan 8.190 nan 0.000 0.428 508 Q N 6.132 125.953 119.800 0.034 0.000 2.431 508 Q HA 0.351 4.643 4.340 -0.080 0.000 0.234 508 Q C -0.382 175.609 176.000 -0.015 0.000 1.203 508 Q CA -0.124 55.681 55.803 0.002 0.000 0.902 508 Q CB 0.594 29.295 28.738 -0.063 0.000 1.455 508 Q HN 0.628 nan 8.270 nan 0.000 0.515 509 M N 3.814 123.404 119.600 -0.017 0.000 2.255 509 M HA 0.371 4.803 4.480 -0.080 0.000 0.336 509 M C -1.937 174.331 176.300 -0.054 0.000 1.135 509 M CA -2.352 52.925 55.300 -0.039 0.000 1.145 509 M CB 0.127 32.705 32.600 -0.038 0.000 1.473 509 M HN 0.344 nan 8.290 nan 0.000 0.462 510 P HA 0.244 nan 4.420 nan 0.000 0.276 510 P C -0.772 176.478 177.300 -0.083 0.000 1.261 510 P CA -0.316 62.721 63.100 -0.103 0.000 0.800 510 P CB 0.653 32.267 31.700 -0.143 0.000 1.066 511 S N -0.771 114.868 115.700 -0.103 0.000 2.739 511 S HA 0.639 5.061 4.470 -0.080 0.000 0.306 511 S C -0.547 173.981 174.600 -0.120 0.000 1.115 511 S CA -0.754 57.398 58.200 -0.080 0.000 0.985 511 S CB 1.684 64.843 63.200 -0.068 0.000 1.133 511 S HN 0.558 nan 8.310 nan 0.000 0.541 512 K N 0.450 120.799 120.400 -0.086 0.000 2.541 512 K HA 0.390 4.662 4.320 -0.080 0.000 0.250 512 K C -1.504 175.052 176.600 -0.072 0.000 0.950 512 K CA -0.476 55.757 56.287 -0.090 0.000 0.805 512 K CB 1.553 34.020 32.500 -0.054 0.000 1.166 512 K HN 0.729 nan 8.250 nan 0.000 0.430 513 K N 5.243 125.587 120.400 -0.093 0.000 2.159 513 K HA 0.384 4.656 4.320 -0.080 0.000 0.266 513 K C -1.341 175.221 176.600 -0.063 0.000 0.975 513 K CA -0.743 55.503 56.287 -0.068 0.000 0.865 513 K CB 1.075 33.527 32.500 -0.080 0.000 1.087 513 K HN 0.568 nan 8.250 nan 0.000 0.446 514 L N 4.273 125.475 121.223 -0.036 0.000 2.343 514 L HA 0.436 4.728 4.340 -0.080 0.000 0.278 514 L C -1.328 175.545 176.870 0.006 0.000 0.996 514 L CA -0.220 54.622 54.840 0.004 0.000 0.831 514 L CB 1.421 43.550 42.059 0.117 0.000 1.232 514 L HN 0.882 nan 8.230 nan 0.000 0.413 515 D N 3.008 123.252 120.400 -0.261 0.000 3.103 515 D HA 0.524 5.116 4.640 -0.080 0.000 0.337 515 D C -1.552 174.465 176.300 -0.472 0.000 1.356 515 D CA 0.082 53.887 54.000 -0.324 0.000 0.951 515 D CB 1.912 42.483 40.800 -0.383 0.000 1.438 515 D HN 0.244 nan 8.370 nan 0.000 0.562 516 F N -0.122 119.551 119.950 -0.462 0.000 2.662 516 F HA 0.705 5.183 4.527 -0.081 0.000 0.312 516 F C -1.121 174.761 175.800 0.136 0.000 1.113 516 F CA -1.110 56.709 58.000 -0.302 0.000 0.951 516 F CB 0.971 39.313 39.000 -1.097 0.000 1.344 516 F HN 0.325 nan 8.300 nan 0.000 0.462 517 I N 0.238 121.061 120.570 0.421 0.000 2.892 517 I HA 0.747 4.870 4.170 -0.080 0.000 0.306 517 I C -1.677 174.674 176.117 0.390 0.000 1.078 517 I CA -1.253 60.229 61.300 0.305 0.000 1.032 517 I CB 2.570 40.732 38.000 0.271 0.000 1.229 517 I HN 0.688 nan 8.210 nan 0.000 0.435 518 I N 4.575 125.311 120.570 0.276 0.000 2.404 518 I HA 0.460 4.582 4.170 -0.080 0.000 0.293 518 I C -0.870 175.393 176.117 0.243 0.000 0.992 518 I CA -0.671 60.781 61.300 0.253 0.000 1.149 518 I CB 1.860 39.969 38.000 0.182 0.000 1.315 518 I HN 0.401 nan 8.210 nan 0.000 0.446 519 L N 6.332 127.748 121.223 0.321 0.000 2.441 519 L HA 0.432 4.724 4.340 -0.080 0.000 0.270 519 L C -0.556 176.460 176.870 0.243 0.000 0.973 519 L CA -0.829 54.178 54.840 0.279 0.000 0.842 519 L CB 1.561 43.824 42.059 0.340 0.000 1.239 519 L HN 0.607 nan 8.230 nan 0.000 0.406 520 N N 3.014 121.794 118.700 0.133 0.000 2.714 520 N HA -0.210 4.482 4.740 -0.080 0.000 0.253 520 N C 0.367 175.925 175.510 0.080 0.000 1.024 520 N CA 1.124 54.228 53.050 0.091 0.000 0.726 520 N CB -0.717 37.819 38.487 0.081 0.000 0.908 520 N HN 0.755 nan 8.380 nan 0.000 0.542 521 E N -4.193 116.048 120.200 0.069 0.000 3.799 521 E HA -0.204 4.098 4.350 -0.080 0.000 0.320 521 E C -0.357 176.248 176.600 0.008 0.000 0.760 521 E CA 1.693 58.115 56.400 0.038 0.000 1.153 521 E CB -1.669 28.044 29.700 0.022 0.000 1.589 521 E HN 0.628 nan 8.360 nan 0.000 0.448 522 T N 1.649 116.213 114.554 0.015 0.000 2.823 522 T HA 0.435 4.737 4.350 -0.080 0.000 0.279 522 T C 0.223 174.768 174.700 -0.258 0.000 0.998 522 T CA -0.818 61.188 62.100 -0.157 0.000 0.994 522 T CB 1.859 70.588 68.868 -0.232 0.000 0.960 522 T HN 0.086 nan 8.240 nan 0.000 0.448 523 K N 2.390 122.572 120.400 -0.362 0.000 2.172 523 K HA 0.542 4.814 4.320 -0.080 0.000 0.276 523 K C -1.375 174.911 176.600 -0.524 0.000 1.013 523 K CA -0.540 55.573 56.287 -0.291 0.000 0.913 523 K CB 0.842 33.086 32.500 -0.427 0.000 1.055 523 K HN 0.382 nan 8.250 nan 0.000 0.461 524 F N 1.506 121.516 119.950 0.100 0.000 2.495 524 F HA 0.361 4.846 4.527 -0.069 0.000 0.327 524 F C -0.558 175.302 175.800 0.099 0.000 1.103 524 F CA -0.802 57.242 58.000 0.072 0.000 0.949 524 F CB 1.129 40.122 39.000 -0.012 0.000 1.142 524 F HN 0.515 nan 8.300 nan 0.000 0.457 525 W N 3.267 124.687 121.300 0.200 0.000 2.313 525 W HA 0.508 5.120 4.660 -0.079 0.000 0.328 525 W C -0.605 176.103 176.519 0.315 0.000 1.197 525 W CA -0.550 56.947 57.345 0.253 0.000 1.235 525 W CB 0.622 30.163 29.460 0.135 0.000 1.158 525 W HN 0.444 nan 8.180 nan 0.000 0.578 526 Y N -0.388 120.239 120.300 0.545 0.000 2.644 526 Y HA 0.682 5.190 4.550 -0.069 0.000 0.338 526 Y C -1.004 175.128 175.900 0.386 0.000 1.119 526 Y CA -1.863 56.564 58.100 0.546 0.000 1.060 526 Y CB 1.167 40.118 38.460 0.820 0.000 1.294 526 Y HN 0.564 nan 8.280 nan 0.000 0.472 527 Q N 1.980 122.015 119.800 0.393 0.000 2.421 527 Q HA 0.776 5.068 4.340 -0.080 0.000 0.280 527 Q C -1.862 174.250 176.000 0.188 0.000 1.085 527 Q CA -1.175 54.727 55.803 0.166 0.000 0.807 527 Q CB 3.363 32.175 28.738 0.122 0.000 1.405 527 Q HN 0.869 nan 8.270 nan 0.000 0.419 528 M N 2.256 121.887 119.600 0.052 0.000 2.326 528 M HA 0.431 4.863 4.480 -0.080 0.000 0.292 528 M C -1.328 174.895 176.300 -0.128 0.000 1.081 528 M CA -0.906 54.361 55.300 -0.055 0.000 0.919 528 M CB 2.309 34.835 32.600 -0.123 0.000 1.634 528 M HN 0.598 nan 8.290 nan 0.000 0.451 529 I N 4.877 125.365 120.570 -0.136 0.000 2.301 529 I HA 0.334 4.457 4.170 -0.080 0.000 0.292 529 I C -0.414 175.549 176.117 -0.255 0.000 1.046 529 I CA -0.266 60.934 61.300 -0.168 0.000 1.282 529 I CB 0.182 38.101 38.000 -0.135 0.000 1.409 529 I HN 0.635 nan 8.210 nan 0.000 0.484 530 L N 8.541 129.564 121.223 -0.334 0.000 2.289 530 L HA 0.403 4.695 4.340 -0.080 0.000 0.285 530 L C -2.081 174.593 176.870 -0.327 0.000 1.049 530 L CA -1.738 52.797 54.840 -0.509 0.000 0.804 530 L CB 0.972 42.562 42.059 -0.782 0.000 1.195 530 L HN 0.266 nan 8.230 nan 0.000 0.428 531 P HA 0.010 nan 4.420 nan 0.000 0.269 531 P C -2.477 174.781 177.300 -0.070 0.000 1.211 531 P CA -0.657 62.368 63.100 -0.125 0.000 0.781 531 P CB -0.183 31.503 31.700 -0.024 0.000 0.877 532 P HA 0.026 nan 4.420 nan 0.000 0.269 532 P C -0.509 176.749 177.300 -0.070 0.000 1.209 532 P CA 0.375 63.386 63.100 -0.149 0.000 0.776 532 P CB -0.196 31.289 31.700 -0.359 0.000 0.876 533 H N -1.575 117.538 119.070 0.071 0.000 2.839 533 H HA -0.211 4.297 4.556 -0.080 0.000 0.298 533 H C -0.065 175.333 175.328 0.116 0.000 1.224 533 H CA -0.665 55.429 56.048 0.076 0.000 1.144 533 H CB -2.079 27.721 29.762 0.063 0.000 1.372 533 H HN 0.337 nan 8.280 nan 0.000 0.408 534 F N 2.798 122.768 119.950 0.033 0.000 2.612 534 F HA 0.062 4.539 4.527 -0.083 0.000 0.389 534 F C 0.577 176.379 175.800 0.004 0.000 1.055 534 F CA 0.081 58.032 58.000 -0.081 0.000 1.232 534 F CB 0.478 39.323 39.000 -0.258 0.000 1.044 534 F HN 0.260 nan 8.300 nan 0.000 0.560 535 D N 5.796 125.874 120.400 -0.536 0.000 2.420 535 D HA 0.144 4.736 4.640 -0.080 0.000 0.255 535 D C 0.393 176.318 176.300 -0.624 0.000 1.185 535 D CA -0.621 53.127 54.000 -0.421 0.000 0.904 535 D CB 0.827 41.567 40.800 -0.101 0.000 1.102 535 D HN 0.643 nan 8.370 nan 0.000 0.534 536 K N 1.214 121.164 120.400 -0.751 0.000 2.585 536 K HA -0.075 4.197 4.320 -0.080 0.000 0.194 536 K C 1.228 177.808 176.600 -0.033 0.000 1.037 536 K CA 0.533 56.586 56.287 -0.390 0.000 0.964 536 K CB 0.136 32.567 32.500 -0.115 0.000 0.787 536 K HN 0.116 nan 8.250 nan 0.000 0.488 537 S N 0.169 115.819 115.700 -0.083 0.000 2.458 537 S HA 0.051 4.474 4.470 -0.080 0.000 0.223 537 S C 0.446 175.028 174.600 -0.029 0.000 1.019 537 S CA 0.006 58.187 58.200 -0.032 0.000 0.937 537 S CB 0.152 63.322 63.200 -0.050 0.000 0.788 537 S HN 0.303 nan 8.310 nan 0.000 0.511 538 K N 0.988 121.354 120.400 -0.057 0.000 2.098 538 K HA 0.321 4.593 4.320 -0.080 0.000 0.244 538 K C -0.598 175.962 176.600 -0.066 0.000 1.014 538 K CA -0.517 55.685 56.287 -0.143 0.000 0.917 538 K CB 0.543 32.828 32.500 -0.359 0.000 1.072 538 K HN -0.031 nan 8.250 nan 0.000 0.477 539 K N 2.396 122.694 120.400 -0.169 0.000 2.367 539 K HA 0.252 4.525 4.320 -0.080 0.000 0.263 539 K C -1.124 175.391 176.600 -0.142 0.000 1.000 539 K CA -0.400 55.861 56.287 -0.044 0.000 0.891 539 K CB 0.844 33.309 32.500 -0.059 0.000 1.117 539 K HN 0.410 nan 8.250 nan 0.000 0.443 540 Y N 2.881 123.232 120.300 0.085 0.000 2.420 540 Y HA 0.305 4.805 4.550 -0.083 0.000 0.334 540 Y C -1.790 174.086 175.900 -0.040 0.000 1.094 540 Y CA -2.491 55.640 58.100 0.052 0.000 1.126 540 Y CB 0.832 39.386 38.460 0.157 0.000 1.217 540 Y HN 0.434 nan 8.280 nan 0.000 0.462 541 P HA 0.184 nan 4.420 nan 0.000 0.274 541 P C -1.081 176.172 177.300 -0.078 0.000 1.231 541 P CA -0.202 62.698 63.100 -0.333 0.000 0.790 541 P CB 1.625 32.832 31.700 -0.823 0.000 0.951 542 L N 2.611 123.805 121.223 -0.048 0.000 2.386 542 L HA 0.549 4.841 4.340 -0.080 0.000 0.271 542 L C -1.141 175.922 176.870 0.321 0.000 0.993 542 L CA -1.055 53.872 54.840 0.144 0.000 0.819 542 L CB 1.672 43.804 42.059 0.122 0.000 1.294 542 L HN 0.258 nan 8.230 nan 0.000 0.414 543 L N 5.398 126.815 121.223 0.324 0.000 2.325 543 L HA 0.437 4.729 4.340 -0.080 0.000 0.281 543 L C -1.238 175.857 176.870 0.374 0.000 1.004 543 L CA -0.893 54.181 54.840 0.389 0.000 0.823 543 L CB 1.839 44.064 42.059 0.277 0.000 1.236 543 L HN 0.587 nan 8.230 nan 0.000 0.415 544 L N 5.172 126.667 121.223 0.454 0.000 2.261 544 L HA 0.314 4.606 4.340 -0.080 0.000 0.289 544 L C -0.318 176.794 176.870 0.404 0.000 1.059 544 L CA 0.091 55.191 54.840 0.432 0.000 0.816 544 L CB 0.789 43.145 42.059 0.495 0.000 1.191 544 L HN 0.467 nan 8.230 nan 0.000 0.431 545 D N 4.579 125.194 120.400 0.358 0.000 2.347 545 D HA 0.250 4.842 4.640 -0.080 0.000 0.235 545 D C -0.935 175.457 176.300 0.154 0.000 1.149 545 D CA -0.007 54.138 54.000 0.242 0.000 0.850 545 D CB 1.303 42.313 40.800 0.350 0.000 1.061 545 D HN 0.319 nan 8.370 nan 0.000 0.487 546 V N 5.212 125.158 119.914 0.054 0.000 2.815 546 V HA 0.504 4.576 4.120 -0.080 0.000 0.314 546 V C -0.960 175.236 176.094 0.171 0.000 1.064 546 V CA -0.385 62.001 62.300 0.145 0.000 0.952 546 V CB 1.840 33.752 31.823 0.148 0.000 1.020 546 V HN 0.691 nan 8.190 nan 0.000 0.439 547 Y N 4.657 125.031 120.300 0.122 0.000 3.266 547 Y HA 0.542 5.045 4.550 -0.078 0.000 0.189 547 Y C 1.554 177.584 175.900 0.217 0.000 0.895 547 Y CA 0.955 59.148 58.100 0.156 0.000 1.706 547 Y CB 0.250 38.781 38.460 0.118 0.000 1.449 547 Y HN 1.049 nan 8.280 nan 0.000 0.391 548 A N 1.138 124.049 122.820 0.153 0.000 2.847 548 A HA -0.171 4.101 4.320 -0.080 0.000 0.263 548 A C 0.806 178.179 177.584 -0.352 0.000 1.391 548 A CA 0.928 52.983 52.037 0.031 0.000 0.866 548 A CB -2.461 16.631 19.000 0.152 0.000 1.057 548 A HN 0.930 nan 8.150 nan 0.000 0.673 549 G N -1.013 107.274 108.800 -0.855 0.000 2.651 549 G HA2 0.495 4.407 3.960 -0.080 0.000 0.260 549 G HA3 0.495 4.407 3.960 -0.080 0.000 0.260 549 G C -2.325 172.221 174.900 -0.591 0.000 1.216 549 G CA -0.896 43.258 45.100 -1.577 0.000 0.913 549 G HN 0.306 nan 8.290 nan 0.000 0.535 550 P HA 0.122 nan 4.420 nan 0.000 0.263 550 P C 0.519 177.689 177.300 -0.216 0.000 1.195 550 P CA 0.045 62.866 63.100 -0.465 0.000 0.762 550 P CB 0.779 31.793 31.700 -1.143 0.000 0.799 551 C N 2.381 121.620 119.300 -0.101 0.000 4.465 551 C HA -0.160 4.252 4.460 -0.080 0.000 0.274 551 C C 1.040 176.096 174.990 0.111 0.000 1.337 551 C CA 1.241 60.178 59.018 -0.135 0.000 1.822 551 C CB -2.676 24.799 27.740 -0.443 0.000 1.357 551 C HN 0.799 nan 8.230 nan 0.000 0.753 552 S N 0.068 115.890 115.700 0.202 0.000 2.614 552 S HA 0.548 4.970 4.470 -0.080 0.000 0.265 552 S C -0.598 174.192 174.600 0.316 0.000 1.303 552 S CA 0.254 58.663 58.200 0.348 0.000 1.000 552 S CB 1.605 65.069 63.200 0.442 0.000 0.935 552 S HN 0.837 nan 8.310 nan 0.000 0.551 553 Q N 0.005 120.002 119.800 0.329 0.000 2.334 553 Q HA 0.351 4.643 4.340 -0.080 0.000 0.249 553 Q C -0.751 175.375 176.000 0.210 0.000 0.909 553 Q CA -0.623 55.351 55.803 0.284 0.000 0.823 553 Q CB 1.054 29.996 28.738 0.340 0.000 1.353 553 Q HN 0.678 nan 8.270 nan 0.000 0.433 554 K N 1.177 121.702 120.400 0.208 0.000 2.355 554 K HA 0.335 4.607 4.320 -0.080 0.000 0.198 554 K C -0.357 176.346 176.600 0.172 0.000 1.039 554 K CA 0.347 56.743 56.287 0.183 0.000 1.075 554 K CB 1.498 34.135 32.500 0.227 0.000 0.870 554 K HN 0.504 nan 8.250 nan 0.000 0.540 555 A N 2.795 125.727 122.820 0.186 0.000 2.316 555 A HA 0.426 4.698 4.320 -0.080 0.000 0.324 555 A C -0.791 176.863 177.584 0.116 0.000 1.375 555 A CA -0.539 51.609 52.037 0.186 0.000 0.882 555 A CB 0.123 19.294 19.000 0.286 0.000 1.152 555 A HN 0.233 nan 8.150 nan 0.000 0.512 556 D N -0.074 120.368 120.400 0.070 0.000 2.752 556 D HA 0.444 5.036 4.640 -0.080 0.000 0.313 556 D C 0.464 176.778 176.300 0.023 0.000 1.225 556 D CA 0.291 54.318 54.000 0.045 0.000 0.976 556 D CB 0.297 41.116 40.800 0.031 0.000 1.443 556 D HN 0.161 nan 8.370 nan 0.000 0.515 557 T N -2.489 112.096 114.554 0.051 0.000 3.145 557 T HA 0.303 4.605 4.350 -0.080 0.000 0.255 557 T C 0.497 175.174 174.700 -0.038 0.000 1.039 557 T CA -0.354 61.771 62.100 0.043 0.000 0.928 557 T CB -0.581 68.355 68.868 0.112 0.000 1.029 557 T HN 0.268 nan 8.240 nan 0.000 0.554 558 V N 2.556 122.343 119.914 -0.212 0.000 2.740 558 V HA 0.275 4.347 4.120 -0.080 0.000 0.303 558 V C 0.127 176.171 176.094 -0.083 0.000 1.054 558 V CA -0.770 61.371 62.300 -0.265 0.000 1.106 558 V CB -0.016 31.521 31.823 -0.476 0.000 0.957 558 V HN 0.550 nan 8.190 nan 0.000 0.486 559 F N 6.330 126.187 119.950 -0.154 0.000 2.424 559 F HA 0.552 5.032 4.527 -0.078 0.000 0.356 559 F C 0.481 176.223 175.800 -0.097 0.000 1.110 559 F CA -0.254 57.678 58.000 -0.112 0.000 1.161 559 F CB 0.242 39.185 39.000 -0.096 0.000 1.115 559 F HN 0.428 nan 8.300 nan 0.000 0.507 560 R N 6.412 126.440 120.500 -0.787 0.000 2.750 560 R HA 0.607 4.899 4.340 -0.080 0.000 0.281 560 R C -1.604 174.250 176.300 -0.743 0.000 0.972 560 R CA -1.140 54.619 56.100 -0.568 0.000 0.912 560 R CB 2.239 32.367 30.300 -0.287 0.000 1.187 560 R HN 0.652 nan 8.270 nan 0.000 0.464 561 L N 3.781 124.756 121.223 -0.413 0.000 2.324 561 L HA 0.424 4.716 4.340 -0.080 0.000 0.274 561 L C -0.691 176.137 176.870 -0.071 0.000 1.012 561 L CA -0.687 53.967 54.840 -0.310 0.000 0.859 561 L CB 0.768 42.778 42.059 -0.082 0.000 1.224 561 L HN 0.769 nan 8.230 nan 0.000 0.429 562 N N 0.255 118.830 118.700 -0.209 0.000 3.418 562 N HA 0.159 4.851 4.740 -0.080 0.000 0.316 562 N C 0.151 175.245 175.510 -0.693 0.000 1.601 562 N CA -0.920 51.884 53.050 -0.410 0.000 0.805 562 N CB 0.193 38.596 38.487 -0.141 0.000 1.873 562 N HN 0.320 nan 8.380 nan 0.000 0.615 563 W N 0.706 121.343 121.300 -1.106 0.000 2.325 563 W HA 0.064 4.674 4.660 -0.082 0.000 0.299 563 W C 2.045 178.500 176.519 -0.106 0.000 1.215 563 W CA 2.998 59.984 57.345 -0.598 0.000 1.244 563 W CB -1.006 28.300 29.460 -0.256 0.000 1.140 563 W HN 0.719 nan 8.180 nan 0.000 0.523 564 A N -0.643 122.161 122.820 -0.026 0.000 1.933 564 A HA -0.215 4.057 4.320 -0.080 0.000 0.218 564 A C 1.958 179.439 177.584 -0.172 0.000 1.175 564 A CA 2.519 54.474 52.037 -0.137 0.000 0.628 564 A CB -1.316 17.675 19.000 -0.015 0.000 0.814 564 A HN 0.292 nan 8.150 nan 0.000 0.444 565 T N -1.142 113.316 114.554 -0.160 0.000 2.684 565 T HA -0.234 4.068 4.350 -0.080 0.000 0.267 565 T C 1.798 176.504 174.700 0.010 0.000 1.036 565 T CA 1.865 63.846 62.100 -0.199 0.000 1.148 565 T CB -0.498 68.080 68.868 -0.482 0.000 0.863 565 T HN 0.701 nan 8.240 nan 0.000 0.436 566 Y N 1.965 122.330 120.300 0.109 0.000 2.163 566 Y HA -0.009 4.493 4.550 -0.079 0.000 0.288 566 Y C 1.967 177.845 175.900 -0.037 0.000 1.136 566 Y CA 0.948 59.154 58.100 0.175 0.000 1.147 566 Y CB -0.732 37.831 38.460 0.172 0.000 0.987 566 Y HN 0.118 nan 8.280 nan 0.000 0.509 567 L N 0.272 121.077 121.223 -0.697 0.000 2.079 567 L HA -0.207 4.085 4.340 -0.080 0.000 0.210 567 L C 2.790 179.402 176.870 -0.429 0.000 1.081 567 L CA 1.293 55.656 54.840 -0.794 0.000 0.752 567 L CB -0.930 40.701 42.059 -0.712 0.000 0.896 567 L HN 0.426 nan 8.230 nan 0.000 0.433 568 A N -1.211 121.437 122.820 -0.286 0.000 1.874 568 A HA -0.155 4.117 4.320 -0.080 0.000 0.214 568 A C 2.511 180.009 177.584 -0.143 0.000 1.189 568 A CA 1.559 53.484 52.037 -0.187 0.000 0.615 568 A CB -0.586 18.307 19.000 -0.178 0.000 0.830 568 A HN 0.313 nan 8.150 nan 0.000 0.443 569 S N -0.935 114.699 115.700 -0.110 0.000 2.355 569 S HA -0.127 4.296 4.470 -0.080 0.000 0.222 569 S C 1.982 176.559 174.600 -0.037 0.000 1.031 569 S CA 2.342 60.517 58.200 -0.042 0.000 0.993 569 S CB -0.431 62.810 63.200 0.069 0.000 0.859 569 S HN 0.561 nan 8.310 nan 0.000 0.453 570 T N 1.153 115.666 114.554 -0.068 0.000 3.010 570 T HA 0.184 4.486 4.350 -0.080 0.000 0.252 570 T C 1.323 175.962 174.700 -0.102 0.000 1.047 570 T CA 0.574 62.648 62.100 -0.043 0.000 1.140 570 T CB -0.061 68.854 68.868 0.079 0.000 0.885 570 T HN 0.328 nan 8.240 nan 0.000 0.464 571 E N 1.171 121.226 120.200 -0.241 0.000 2.474 571 E HA 0.176 4.478 4.350 -0.080 0.000 0.195 571 E C -0.102 176.472 176.600 -0.043 0.000 1.039 571 E CA -0.093 56.218 56.400 -0.149 0.000 0.881 571 E CB -0.246 29.307 29.700 -0.245 0.000 0.970 571 E HN 0.503 nan 8.360 nan 0.000 0.486 572 N N 0.733 119.413 118.700 -0.034 0.000 2.738 572 N HA -0.190 4.503 4.740 -0.080 0.000 0.249 572 N C -0.920 174.681 175.510 0.152 0.000 1.047 572 N CA 0.345 53.447 53.050 0.087 0.000 0.707 572 N CB -1.240 37.338 38.487 0.152 0.000 0.937 572 N HN 0.215 nan 8.380 nan 0.000 0.545 573 I N 0.596 121.190 120.570 0.040 0.000 2.441 573 I HA 0.405 4.527 4.170 -0.080 0.000 0.295 573 I C 0.510 176.623 176.117 -0.006 0.000 0.994 573 I CA -0.930 60.420 61.300 0.083 0.000 1.144 573 I CB 1.528 39.576 38.000 0.081 0.000 1.314 573 I HN 0.024 nan 8.210 nan 0.000 0.445 574 I N 5.969 126.548 120.570 0.014 0.000 2.395 574 I HA 0.213 4.336 4.170 -0.080 0.000 0.289 574 I C -0.488 175.614 176.117 -0.024 0.000 1.023 574 I CA -0.486 60.760 61.300 -0.089 0.000 1.350 574 I CB 1.250 39.198 38.000 -0.087 0.000 1.409 574 I HN 0.182 nan 8.210 nan 0.000 0.507 575 V N 6.607 126.487 119.914 -0.056 0.000 2.350 575 V HA 0.597 4.670 4.120 -0.080 0.000 0.285 575 V C 0.279 176.392 176.094 0.031 0.000 1.014 575 V CA -0.429 61.887 62.300 0.027 0.000 0.831 575 V CB 1.173 33.006 31.823 0.015 0.000 1.000 575 V HN 0.849 nan 8.190 nan 0.000 0.433 576 A N 3.983 126.847 122.820 0.074 0.000 2.330 576 A HA 0.970 5.243 4.320 -0.080 0.000 0.329 576 A C -0.136 177.595 177.584 0.245 0.000 1.135 576 A CA -0.515 51.561 52.037 0.066 0.000 0.817 576 A CB 1.728 20.599 19.000 -0.215 0.000 1.269 576 A HN 0.678 nan 8.150 nan 0.000 0.469 577 S N -0.595 115.303 115.700 0.330 0.000 2.546 577 S HA 0.719 5.141 4.470 -0.080 0.000 0.274 577 S C -1.579 173.393 174.600 0.620 0.000 1.121 577 S CA -0.295 58.156 58.200 0.417 0.000 0.887 577 S CB 1.335 64.715 63.200 0.301 0.000 1.094 577 S HN 0.761 nan 8.310 nan 0.000 0.474 578 F N 1.797 121.996 119.950 0.414 0.000 2.569 578 F HA 0.501 4.995 4.527 -0.054 0.000 0.312 578 F C -1.489 174.520 175.800 0.349 0.000 1.109 578 F CA -0.720 57.545 58.000 0.442 0.000 0.919 578 F CB 1.504 40.730 39.000 0.378 0.000 1.211 578 F HN 0.389 nan 8.300 nan 0.000 0.446 579 D N 4.485 124.745 120.400 -0.235 0.000 2.454 579 D HA 0.382 4.974 4.640 -0.080 0.000 0.225 579 D C 0.313 176.370 176.300 -0.404 0.000 1.081 579 D CA 0.115 54.042 54.000 -0.121 0.000 0.864 579 D CB 1.485 42.344 40.800 0.099 0.000 1.040 579 D HN 0.763 nan 8.370 nan 0.000 0.517 580 G N 1.201 109.849 108.800 -0.252 0.000 2.736 580 G HA2 0.297 4.209 3.960 -0.080 0.000 0.229 580 G HA3 0.297 4.209 3.960 -0.080 0.000 0.229 580 G C 0.086 175.004 174.900 0.030 0.000 1.380 580 G CA -0.753 44.207 45.100 -0.233 0.000 1.040 580 G HN 0.289 nan 8.290 nan 0.000 0.568 581 R N -0.550 119.941 120.500 -0.015 0.000 2.537 581 R HA 0.334 4.627 4.340 -0.080 0.000 0.281 581 R C 1.264 177.650 176.300 0.143 0.000 0.988 581 R CA 1.568 57.747 56.100 0.131 0.000 1.077 581 R CB 0.319 30.676 30.300 0.094 0.000 0.932 581 R HN 1.073 nan 8.270 nan 0.000 0.409 582 G N 1.268 110.149 108.800 0.136 0.000 2.254 582 G HA2 -0.334 3.579 3.960 -0.080 0.000 0.225 582 G HA3 -0.334 3.579 3.960 -0.080 0.000 0.225 582 G C 0.185 175.119 174.900 0.057 0.000 1.003 582 G CA 0.096 45.257 45.100 0.101 0.000 0.622 582 G HN 0.751 nan 8.290 nan 0.000 0.507 583 S N 0.547 116.296 115.700 0.081 0.000 2.580 583 S HA 0.583 5.005 4.470 -0.080 0.000 0.266 583 S C 0.886 175.497 174.600 0.018 0.000 1.354 583 S CA 0.739 58.988 58.200 0.081 0.000 1.008 583 S CB 1.569 64.847 63.200 0.130 0.000 0.898 583 S HN 1.761 nan 8.310 nan 0.000 0.555 584 G N -0.717 108.074 108.800 -0.016 0.000 2.705 584 G HA2 0.516 4.428 3.960 -0.080 0.000 0.299 584 G HA3 0.516 4.428 3.960 -0.080 0.000 0.299 584 G C -0.960 173.833 174.900 -0.179 0.000 1.315 584 G CA -1.006 43.931 45.100 -0.271 0.000 1.045 584 G HN 0.984 nan 8.290 nan 0.000 0.517 585 Y N -2.356 117.943 120.300 -0.002 0.000 4.668 585 Y HA -0.219 4.282 4.550 -0.081 0.000 0.234 585 Y C 1.414 177.310 175.900 -0.008 0.000 1.056 585 Y CA 1.107 59.207 58.100 0.002 0.000 2.025 585 Y CB -2.113 36.369 38.460 0.038 0.000 1.613 585 Y HN 0.533 nan 8.280 nan 0.000 0.653 586 Q N -0.025 119.772 119.800 -0.005 0.000 2.086 586 Q HA 0.513 4.805 4.340 -0.080 0.000 0.220 586 Q C 0.876 176.724 176.000 -0.252 0.000 0.792 586 Q CA 0.225 56.030 55.803 0.004 0.000 1.062 586 Q CB 1.741 30.493 28.738 0.024 0.000 1.198 586 Q HN 0.573 nan 8.270 nan 0.000 0.466 587 G N 0.744 109.253 108.800 -0.485 0.000 2.650 587 G HA2 -0.163 3.750 3.960 -0.080 0.000 0.686 587 G HA3 -0.163 3.750 3.960 -0.080 0.000 0.686 587 G C -0.557 173.958 174.900 -0.642 0.000 1.205 587 G CA -0.646 43.893 45.100 -0.934 0.000 0.781 587 G HN 0.089 nan 8.290 nan 0.000 0.648 588 D N 0.211 120.190 120.400 -0.700 0.000 2.264 588 D HA -0.051 4.541 4.640 -0.080 0.000 0.208 588 D C 2.211 178.204 176.300 -0.511 0.000 0.966 588 D CA 1.348 54.882 54.000 -0.778 0.000 0.864 588 D CB 0.103 40.334 40.800 -0.947 0.000 0.933 588 D HN 0.542 nan 8.370 nan 0.000 0.499 589 K N 1.066 121.241 120.400 -0.374 0.000 2.032 589 K HA -0.088 4.184 4.320 -0.080 0.000 0.209 589 K C 1.904 178.428 176.600 -0.128 0.000 1.048 589 K CA 1.053 57.218 56.287 -0.203 0.000 0.927 589 K CB -0.385 32.016 32.500 -0.165 0.000 0.712 589 K HN 0.117 nan 8.250 nan 0.000 0.441 590 I N -0.107 120.381 120.570 -0.137 0.000 2.277 590 I HA -0.154 3.968 4.170 -0.080 0.000 0.243 590 I C 2.594 178.706 176.117 -0.009 0.000 1.094 590 I CA 1.130 62.422 61.300 -0.013 0.000 1.393 590 I CB -0.170 37.843 38.000 0.021 0.000 1.078 590 I HN 0.287 nan 8.210 nan 0.000 0.417 591 M N 0.167 119.696 119.600 -0.119 0.000 2.080 591 M HA -0.267 4.165 4.480 -0.080 0.000 0.260 591 M C 1.932 178.299 176.300 0.112 0.000 1.068 591 M CA 2.048 57.314 55.300 -0.056 0.000 1.109 591 M CB -0.350 32.126 32.600 -0.205 0.000 1.342 591 M HN 0.277 nan 8.290 nan 0.000 0.405 592 H N -0.885 118.098 119.070 -0.146 0.000 2.547 592 H HA 0.171 4.678 4.556 -0.081 0.000 0.266 592 H C 1.789 177.144 175.328 0.044 0.000 0.988 592 H CA 0.089 56.067 56.048 -0.116 0.000 1.147 592 H CB 0.111 29.705 29.762 -0.279 0.000 1.365 592 H HN 0.526 nan 8.280 nan 0.000 0.589 593 A N 1.553 124.476 122.820 0.172 0.000 2.070 593 A HA -0.114 4.158 4.320 -0.080 0.000 0.220 593 A C 2.008 179.784 177.584 0.321 0.000 1.159 593 A CA 0.935 53.075 52.037 0.171 0.000 0.656 593 A CB -0.681 18.366 19.000 0.079 0.000 0.800 593 A HN 0.584 nan 8.150 nan 0.000 0.453 594 I N -3.414 117.330 120.570 0.291 0.000 3.904 594 I HA 0.171 4.293 4.170 -0.080 0.000 0.333 594 I C 0.339 176.551 176.117 0.158 0.000 1.361 594 I CA -0.515 60.925 61.300 0.233 0.000 1.116 594 I CB -0.502 37.593 38.000 0.159 0.000 1.028 594 I HN 0.169 nan 8.210 nan 0.000 0.398 595 N N 3.126 121.958 118.700 0.221 0.000 2.411 595 N HA -0.067 4.625 4.740 -0.080 0.000 0.261 595 N C 0.234 175.785 175.510 0.067 0.000 1.248 595 N CA 0.389 53.562 53.050 0.205 0.000 0.885 595 N CB 0.349 38.930 38.487 0.155 0.000 1.062 595 N HN 0.429 nan 8.380 nan 0.000 0.471 596 R N 0.693 121.208 120.500 0.025 0.000 3.994 596 R HA -0.195 4.097 4.340 -0.080 0.000 0.403 596 R C -0.167 176.032 176.300 -0.168 0.000 1.126 596 R CA 0.942 57.018 56.100 -0.040 0.000 1.143 596 R CB -0.901 29.394 30.300 -0.007 0.000 1.695 596 R HN 0.544 nan 8.270 nan 0.000 0.555 597 R N 0.610 120.982 120.500 -0.213 0.000 2.776 597 R HA 0.273 4.566 4.340 -0.080 0.000 0.391 597 R C -0.922 175.275 176.300 -0.170 0.000 1.116 597 R CA -0.468 55.340 56.100 -0.485 0.000 1.056 597 R CB 0.469 30.516 30.300 -0.422 0.000 1.369 597 R HN -0.076 nan 8.270 nan 0.000 0.590 598 L N -0.141 121.090 121.223 0.014 0.000 2.485 598 L HA 0.254 4.546 4.340 -0.080 0.000 0.275 598 L C 1.483 178.586 176.870 0.389 0.000 1.207 598 L CA 1.491 56.392 54.840 0.103 0.000 0.855 598 L CB 0.585 42.474 42.059 -0.283 0.000 1.114 598 L HN 0.687 nan 8.230 nan 0.000 0.485 599 G N 1.022 110.080 108.800 0.430 0.000 2.137 599 G HA2 -0.295 3.617 3.960 -0.080 0.000 0.237 599 G HA3 -0.295 3.617 3.960 -0.080 0.000 0.237 599 G C 0.535 175.510 174.900 0.124 0.000 1.002 599 G CA 0.966 46.273 45.100 0.345 0.000 0.702 599 G HN 0.930 nan 8.290 nan 0.000 0.515 600 T N -3.622 110.942 114.554 0.016 0.000 3.257 600 T HA 0.453 4.755 4.350 -0.080 0.000 0.176 600 T C 1.663 176.281 174.700 -0.137 0.000 0.892 600 T CA 0.947 62.936 62.100 -0.185 0.000 1.147 600 T CB -0.048 68.497 68.868 -0.538 0.000 1.840 600 T HN 0.185 nan 8.240 nan 0.000 0.375 601 F N 3.540 123.521 119.950 0.051 0.000 2.161 601 F HA 0.076 4.550 4.527 -0.088 0.000 0.300 601 F C 2.787 178.616 175.800 0.048 0.000 1.089 601 F CA 1.238 59.259 58.000 0.036 0.000 1.282 601 F CB -0.698 38.318 39.000 0.028 0.000 1.010 601 F HN 0.495 nan 8.300 nan 0.000 0.485 602 E N 0.804 121.145 120.200 0.235 0.000 2.204 602 E HA -0.118 4.184 4.350 -0.080 0.000 0.194 602 E C 2.065 178.764 176.600 0.166 0.000 0.989 602 E CA 1.337 57.855 56.400 0.197 0.000 0.824 602 E CB -0.985 28.833 29.700 0.197 0.000 0.756 602 E HN 0.316 nan 8.360 nan 0.000 0.477 603 V N 1.666 121.651 119.914 0.118 0.000 2.302 603 V HA -0.191 3.881 4.120 -0.080 0.000 0.243 603 V C 2.323 178.449 176.094 0.053 0.000 1.036 603 V CA 2.005 64.333 62.300 0.048 0.000 1.020 603 V CB -0.557 31.252 31.823 -0.023 0.000 0.657 603 V HN 0.198 nan 8.190 nan 0.000 0.453 604 E N 0.294 120.537 120.200 0.072 0.000 2.085 604 E HA -0.259 4.043 4.350 -0.080 0.000 0.194 604 E C 1.896 178.525 176.600 0.047 0.000 0.994 604 E CA 1.620 58.061 56.400 0.068 0.000 0.801 604 E CB -0.234 29.537 29.700 0.119 0.000 0.743 604 E HN 0.567 nan 8.360 nan 0.000 0.453 605 D N 0.341 120.790 120.400 0.081 0.000 2.178 605 D HA -0.135 4.457 4.640 -0.080 0.000 0.201 605 D C 1.978 178.267 176.300 -0.018 0.000 0.980 605 D CA 0.787 54.816 54.000 0.049 0.000 0.842 605 D CB -0.100 40.786 40.800 0.144 0.000 0.948 605 D HN 0.118 nan 8.370 nan 0.000 0.472 606 Q N 0.044 119.893 119.800 0.082 0.000 2.123 606 Q HA -0.008 4.284 4.340 -0.080 0.000 0.199 606 Q C 2.565 178.584 176.000 0.031 0.000 0.966 606 Q CA 0.477 56.326 55.803 0.078 0.000 0.845 606 Q CB -0.070 28.751 28.738 0.138 0.000 0.907 606 Q HN 0.422 nan 8.270 nan 0.000 0.439 607 I N 0.853 121.461 120.570 0.064 0.000 2.142 607 I HA -0.239 3.884 4.170 -0.080 0.000 0.240 607 I C 2.393 178.458 176.117 -0.086 0.000 1.078 607 I CA 0.981 62.356 61.300 0.126 0.000 1.343 607 I CB -0.307 37.763 38.000 0.116 0.000 1.046 607 I HN 0.107 nan 8.210 nan 0.000 0.405 608 E N 1.174 121.276 120.200 -0.162 0.000 2.070 608 E HA -0.264 4.038 4.350 -0.080 0.000 0.197 608 E C 2.276 178.578 176.600 -0.497 0.000 1.004 608 E CA 1.771 58.010 56.400 -0.268 0.000 0.805 608 E CB -0.304 29.253 29.700 -0.238 0.000 0.744 608 E HN 0.495 nan 8.360 nan 0.000 0.451 609 A N 0.994 123.350 122.820 -0.773 0.000 1.908 609 A HA -0.155 4.118 4.320 -0.080 0.000 0.218 609 A C 2.423 179.275 177.584 -1.220 0.000 1.181 609 A CA 2.460 53.705 52.037 -1.320 0.000 0.627 609 A CB -0.686 17.249 19.000 -1.776 0.000 0.818 609 A HN 0.307 nan 8.150 nan 0.000 0.445 610 A N -0.450 122.034 122.820 -0.560 0.000 1.933 610 A HA -0.158 4.114 4.320 -0.080 0.000 0.218 610 A C 2.254 179.641 177.584 -0.327 0.000 1.175 610 A CA 1.436 53.309 52.037 -0.273 0.000 0.628 610 A CB -0.451 18.450 19.000 -0.164 0.000 0.814 610 A HN 0.551 nan 8.150 nan 0.000 0.444 611 R N -0.680 119.612 120.500 -0.346 0.000 2.073 611 R HA -0.120 4.172 4.340 -0.080 0.000 0.234 611 R C 2.414 178.548 176.300 -0.277 0.000 1.134 611 R CA 1.436 57.374 56.100 -0.270 0.000 0.952 611 R CB -0.363 29.804 30.300 -0.222 0.000 0.850 611 R HN 0.617 nan 8.270 nan 0.000 0.433 612 Q N 0.010 119.576 119.800 -0.391 0.000 2.050 612 Q HA -0.149 4.144 4.340 -0.080 0.000 0.202 612 Q C 2.134 177.975 176.000 -0.265 0.000 0.980 612 Q CA 1.386 56.977 55.803 -0.353 0.000 0.840 612 Q CB -0.326 28.133 28.738 -0.465 0.000 0.898 612 Q HN 0.254 nan 8.270 nan 0.000 0.424 613 F N 1.388 121.172 119.950 -0.277 0.000 2.091 613 F HA -0.216 4.269 4.527 -0.071 0.000 0.299 613 F C 2.826 178.440 175.800 -0.310 0.000 1.103 613 F CA 1.353 59.178 58.000 -0.293 0.000 1.228 613 F CB -1.520 37.350 39.000 -0.216 0.000 0.984 613 F HN 0.093 nan 8.300 nan 0.000 0.477 614 S N 0.036 115.694 115.700 -0.070 0.000 2.400 614 S HA -0.195 4.227 4.470 -0.080 0.000 0.232 614 S C 1.672 176.171 174.600 -0.169 0.000 1.025 614 S CA 1.160 59.281 58.200 -0.131 0.000 0.993 614 S CB -0.451 62.667 63.200 -0.137 0.000 0.808 614 S HN 0.410 nan 8.310 nan 0.000 0.478 615 K N 0.190 120.491 120.400 -0.164 0.000 2.522 615 K HA 0.229 4.501 4.320 -0.080 0.000 0.194 615 K C 1.145 177.643 176.600 -0.170 0.000 1.026 615 K CA 0.085 56.283 56.287 -0.147 0.000 1.119 615 K CB -0.093 32.333 32.500 -0.124 0.000 0.856 615 K HN 0.535 nan 8.250 nan 0.000 0.513 616 M N -0.872 118.563 119.600 -0.275 0.000 2.509 616 M HA 0.040 4.473 4.480 -0.080 0.000 0.250 616 M C 1.201 177.263 176.300 -0.397 0.000 1.132 616 M CA 0.667 55.748 55.300 -0.365 0.000 1.080 616 M CB 0.498 32.728 32.600 -0.617 0.000 1.408 616 M HN 0.462 nan 8.290 nan 0.000 0.484 617 G N 1.126 109.725 108.800 -0.334 0.000 2.284 617 G HA2 -0.303 3.609 3.960 -0.080 0.000 0.230 617 G HA3 -0.303 3.609 3.960 -0.080 0.000 0.230 617 G C 0.480 175.341 174.900 -0.065 0.000 1.021 617 G CA 0.361 45.366 45.100 -0.158 0.000 0.619 617 G HN 0.556 nan 8.290 nan 0.000 0.510 618 F N 0.870 120.884 119.950 0.106 0.000 2.639 618 F HA 0.762 5.247 4.527 -0.071 0.000 0.300 618 F C 0.227 176.159 175.800 0.219 0.000 1.109 618 F CA -1.247 56.859 58.000 0.177 0.000 1.335 618 F CB 0.081 39.241 39.000 0.266 0.000 1.014 618 F HN 0.080 nan 8.300 nan 0.000 0.537 619 V N 1.662 121.591 119.914 0.025 0.000 2.384 619 V HA 0.177 4.249 4.120 -0.080 0.000 0.287 619 V C -0.529 175.561 176.094 -0.006 0.000 1.020 619 V CA -0.838 61.493 62.300 0.052 0.000 0.850 619 V CB 1.367 33.159 31.823 -0.051 0.000 0.987 619 V HN 0.090 nan 8.190 nan 0.000 0.436 620 D N 4.395 124.790 120.400 -0.008 0.000 2.342 620 D HA 0.049 4.641 4.640 -0.080 0.000 0.260 620 D C 1.181 177.423 176.300 -0.097 0.000 1.278 620 D CA 0.135 54.093 54.000 -0.070 0.000 0.910 620 D CB 0.665 41.398 40.800 -0.112 0.000 1.079 620 D HN 0.435 nan 8.370 nan 0.000 0.496 621 N N 3.446 122.091 118.700 -0.091 0.000 2.192 621 N HA -0.170 4.522 4.740 -0.080 0.000 0.188 621 N C 1.016 176.464 175.510 -0.102 0.000 1.013 621 N CA 0.968 53.957 53.050 -0.102 0.000 0.863 621 N CB 0.074 38.506 38.487 -0.092 0.000 0.990 621 N HN 0.556 nan 8.380 nan 0.000 0.430 622 K N 0.266 120.611 120.400 -0.093 0.000 2.459 622 K HA 0.119 4.391 4.320 -0.080 0.000 0.193 622 K C 0.300 176.848 176.600 -0.086 0.000 1.030 622 K CA 0.320 56.563 56.287 -0.074 0.000 1.026 622 K CB 0.425 32.889 32.500 -0.060 0.000 0.809 622 K HN 0.059 nan 8.250 nan 0.000 0.504 623 R N 1.257 121.659 120.500 -0.163 0.000 2.835 623 R HA 0.346 4.638 4.340 -0.080 0.000 0.290 623 R C -0.927 175.200 176.300 -0.289 0.000 1.410 623 R CA -0.134 55.779 56.100 -0.312 0.000 1.590 623 R CB 0.534 30.458 30.300 -0.627 0.000 1.288 623 R HN 0.003 nan 8.270 nan 0.000 0.637 624 I N 1.048 121.606 120.570 -0.019 0.000 2.378 624 I HA 0.561 4.684 4.170 -0.080 0.000 0.291 624 I C -0.006 176.347 176.117 0.393 0.000 0.992 624 I CA -0.708 60.655 61.300 0.104 0.000 1.154 624 I CB 1.918 39.847 38.000 -0.117 0.000 1.315 624 I HN 0.280 nan 8.210 nan 0.000 0.448 625 A N 7.044 130.225 122.820 0.601 0.000 2.435 625 A HA 0.923 5.196 4.320 -0.080 0.000 0.296 625 A C -1.202 176.761 177.584 0.632 0.000 1.147 625 A CA -0.634 51.785 52.037 0.636 0.000 0.775 625 A CB 2.153 21.459 19.000 0.509 0.000 1.340 625 A HN 0.729 nan 8.150 nan 0.000 0.427 626 I N 0.235 121.079 120.570 0.457 0.000 2.802 626 I HA 0.756 4.878 4.170 -0.080 0.000 0.298 626 I C -1.957 174.421 176.117 0.436 0.000 1.176 626 I CA -0.629 60.866 61.300 0.325 0.000 1.025 626 I CB 1.849 39.747 38.000 -0.169 0.000 1.243 626 I HN 0.961 nan 8.210 nan 0.000 0.424 627 W N 6.468 127.898 121.300 0.216 0.000 3.146 627 W HA 0.816 5.424 4.660 -0.086 0.000 0.319 627 W C -1.610 175.066 176.519 0.261 0.000 1.258 627 W CA -0.904 56.584 57.345 0.239 0.000 1.189 627 W CB 0.953 30.608 29.460 0.324 0.000 1.412 627 W HN 0.847 nan 8.180 nan 0.000 0.567 628 G N 0.751 109.540 108.800 -0.017 0.000 2.601 628 G HA2 0.472 4.384 3.960 -0.080 0.000 0.291 628 G HA3 0.472 4.384 3.960 -0.080 0.000 0.291 628 G C -2.622 172.252 174.900 -0.042 0.000 1.456 628 G CA -0.720 44.204 45.100 -0.294 0.000 0.804 628 G HN 0.640 nan 8.290 nan 0.000 0.499 629 W N 1.080 122.262 121.300 -0.195 0.000 2.655 629 W HA 0.626 5.237 4.660 -0.082 0.000 0.358 629 W C 0.860 177.430 176.519 0.085 0.000 1.100 629 W CA 0.046 57.367 57.345 -0.040 0.000 1.195 629 W CB 1.883 31.308 29.460 -0.057 0.000 1.403 629 W HN 1.097 nan 8.180 nan 0.000 0.589 630 S N 3.441 119.433 115.700 0.485 0.000 4.609 630 S HA -0.359 4.063 4.470 -0.080 0.000 0.546 630 S C 0.567 175.406 174.600 0.398 0.000 1.001 630 S CA 1.865 60.344 58.200 0.464 0.000 1.031 630 S CB -0.584 63.074 63.200 0.763 0.000 1.782 630 S HN 0.968 nan 8.310 nan 0.000 0.374 631 Y N 1.954 122.297 120.300 0.072 0.000 3.049 631 Y HA -0.386 4.114 4.550 -0.083 0.000 0.478 631 Y C 1.609 177.464 175.900 -0.074 0.000 1.177 631 Y CA 2.910 60.974 58.100 -0.060 0.000 2.663 631 Y CB -1.578 36.643 38.460 -0.398 0.000 0.854 631 Y HN 0.935 nan 8.280 nan 0.000 0.525 632 G N -1.106 107.799 108.800 0.174 0.000 2.494 632 G HA2 0.154 4.066 3.960 -0.080 0.000 0.216 632 G HA3 0.154 4.066 3.960 -0.080 0.000 0.216 632 G C 1.701 176.673 174.900 0.120 0.000 1.140 632 G CA 0.665 45.866 45.100 0.168 0.000 0.801 632 G HN 0.864 nan 8.290 nan 0.000 0.536 633 G N -0.025 108.852 108.800 0.127 0.000 2.403 633 G HA2 -0.166 3.746 3.960 -0.080 0.000 0.216 633 G HA3 -0.166 3.746 3.960 -0.080 0.000 0.216 633 G C 1.539 176.489 174.900 0.084 0.000 1.154 633 G CA 0.975 46.128 45.100 0.088 0.000 0.784 633 G HN 0.377 nan 8.290 nan 0.000 0.538 634 Y N 1.516 121.750 120.300 -0.111 0.000 2.114 634 Y HA -0.122 4.387 4.550 -0.068 0.000 0.284 634 Y C 2.733 178.566 175.900 -0.112 0.000 1.143 634 Y CA 1.630 59.611 58.100 -0.198 0.000 1.135 634 Y CB -0.517 37.681 38.460 -0.437 0.000 0.980 634 Y HN 0.017 nan 8.280 nan 0.000 0.499 635 V N -0.148 119.665 119.914 -0.168 0.000 2.343 635 V HA -0.332 3.740 4.120 -0.080 0.000 0.247 635 V C 2.325 178.317 176.094 -0.169 0.000 1.051 635 V CA 2.432 64.609 62.300 -0.204 0.000 1.036 635 V CB -1.221 30.639 31.823 0.061 0.000 0.654 635 V HN 0.506 nan 8.190 nan 0.000 0.451 636 T N -0.099 114.416 114.554 -0.066 0.000 2.684 636 T HA -0.187 4.115 4.350 -0.080 0.000 0.267 636 T C 2.125 176.786 174.700 -0.064 0.000 1.036 636 T CA 1.996 64.067 62.100 -0.048 0.000 1.148 636 T CB -0.260 68.658 68.868 0.084 0.000 0.863 636 T HN 0.540 nan 8.240 nan 0.000 0.436 637 S N 1.047 116.745 115.700 -0.003 0.000 2.383 637 S HA 0.009 4.431 4.470 -0.080 0.000 0.227 637 S C 2.122 176.667 174.600 -0.091 0.000 1.026 637 S CA 0.834 59.065 58.200 0.052 0.000 0.981 637 S CB -0.251 63.026 63.200 0.129 0.000 0.818 637 S HN 0.311 nan 8.310 nan 0.000 0.472 638 M N 0.982 120.431 119.600 -0.252 0.000 2.117 638 M HA -0.021 4.411 4.480 -0.080 0.000 0.262 638 M C 2.224 178.377 176.300 -0.245 0.000 1.065 638 M CA 1.066 56.193 55.300 -0.289 0.000 1.114 638 M CB -1.417 30.898 32.600 -0.475 0.000 1.361 638 M HN 0.175 nan 8.290 nan 0.000 0.408 639 V N 0.696 120.457 119.914 -0.254 0.000 2.295 639 V HA -0.249 3.823 4.120 -0.080 0.000 0.246 639 V C 2.509 178.421 176.094 -0.302 0.000 1.049 639 V CA 1.471 63.616 62.300 -0.258 0.000 1.024 639 V CB -0.635 30.965 31.823 -0.373 0.000 0.648 639 V HN 0.406 nan 8.190 nan 0.000 0.447 640 L N 0.291 121.278 121.223 -0.394 0.000 2.275 640 L HA -0.042 4.250 4.340 -0.080 0.000 0.215 640 L C 2.130 178.469 176.870 -0.884 0.000 1.119 640 L CA 1.388 55.900 54.840 -0.546 0.000 0.790 640 L CB -0.626 41.091 42.059 -0.570 0.000 0.919 640 L HN 0.487 nan 8.230 nan 0.000 0.443 641 G N -1.521 106.791 108.800 -0.814 0.000 3.284 641 G HA2 -0.022 3.890 3.960 -0.080 0.000 0.236 641 G HA3 -0.022 3.890 3.960 -0.080 0.000 0.236 641 G C 1.394 176.128 174.900 -0.276 0.000 1.158 641 G CA 0.530 45.229 45.100 -0.668 0.000 0.774 641 G HN 0.403 nan 8.290 nan 0.000 0.545 642 S N -0.652 114.913 115.700 -0.225 0.000 2.527 642 S HA 0.282 4.704 4.470 -0.080 0.000 0.222 642 S C 1.956 176.509 174.600 -0.079 0.000 0.985 642 S CA 0.936 59.068 58.200 -0.114 0.000 0.921 642 S CB -0.121 63.032 63.200 -0.078 0.000 0.772 642 S HN 1.331 nan 8.310 nan 0.000 0.529 643 G N 1.632 110.372 108.800 -0.100 0.000 2.179 643 G HA2 -0.345 3.567 3.960 -0.080 0.000 0.257 643 G HA3 -0.345 3.567 3.960 -0.080 0.000 0.257 643 G C 0.894 175.778 174.900 -0.027 0.000 1.010 643 G CA 0.859 45.923 45.100 -0.060 0.000 0.736 643 G HN 1.306 nan 8.290 nan 0.000 0.513 644 S N -0.768 114.928 115.700 -0.006 0.000 2.515 644 S HA 0.307 4.729 4.470 -0.080 0.000 0.231 644 S C 2.527 177.128 174.600 0.001 0.000 0.987 644 S CA 1.473 59.680 58.200 0.012 0.000 0.936 644 S CB -0.215 63.019 63.200 0.056 0.000 0.766 644 S HN 2.376 nan 8.310 nan 0.000 0.528 645 G N 0.276 109.081 108.800 0.009 0.000 2.220 645 G HA2 -0.332 3.580 3.960 -0.080 0.000 0.269 645 G HA3 -0.332 3.580 3.960 -0.080 0.000 0.269 645 G C 0.839 175.717 174.900 -0.037 0.000 0.977 645 G CA 0.530 45.627 45.100 -0.006 0.000 0.634 645 G HN 0.726 nan 8.290 nan 0.000 0.539 646 V N -0.504 119.367 119.914 -0.072 0.000 2.548 646 V HA 0.203 4.275 4.120 -0.080 0.000 0.249 646 V C 1.231 177.063 176.094 -0.436 0.000 1.055 646 V CA 1.549 63.667 62.300 -0.302 0.000 1.065 646 V CB -0.395 31.117 31.823 -0.517 0.000 0.681 646 V HN 0.314 nan 8.190 nan 0.000 0.462 647 F N -0.023 119.937 119.950 0.017 0.000 2.415 647 F HA 0.395 4.889 4.527 -0.056 0.000 0.348 647 F C 1.107 176.953 175.800 0.076 0.000 1.119 647 F CA -0.566 57.472 58.000 0.064 0.000 1.069 647 F CB 1.394 40.437 39.000 0.072 0.000 1.124 647 F HN -0.248 nan 8.300 nan 0.000 0.472 648 K N 1.882 122.441 120.400 0.265 0.000 2.076 648 K HA 0.045 4.318 4.320 -0.080 0.000 0.204 648 K C 0.085 176.841 176.600 0.260 0.000 1.051 648 K CA 1.100 57.517 56.287 0.216 0.000 0.949 648 K CB 0.224 32.846 32.500 0.203 0.000 0.726 648 K HN 0.821 nan 8.250 nan 0.000 0.443 649 c N -3.406 115.400 118.600 0.343 0.000 3.314 649 c HA 0.900 5.422 4.570 -0.080 0.000 0.344 649 c C -0.281 174.072 174.090 0.438 0.000 1.461 649 c CA -0.475 56.083 56.329 0.381 0.000 1.249 649 c CB 1.088 43.782 42.510 0.307 0.000 1.632 649 c HN 0.378 nan 8.230 nan 0.000 0.452 650 G N -0.202 108.917 108.800 0.532 0.000 2.579 650 G HA2 0.658 4.571 3.960 -0.080 0.000 0.292 650 G HA3 0.658 4.571 3.960 -0.080 0.000 0.292 650 G C -2.074 173.064 174.900 0.396 0.000 1.484 650 G CA -0.645 44.724 45.100 0.448 0.000 0.813 650 G HN 1.054 nan 8.290 nan 0.000 0.515 651 I N 0.506 121.279 120.570 0.338 0.000 2.533 651 I HA 0.648 4.770 4.170 -0.080 0.000 0.290 651 I C 0.138 176.388 176.117 0.223 0.000 1.056 651 I CA -1.046 60.338 61.300 0.140 0.000 1.057 651 I CB 2.328 40.390 38.000 0.103 0.000 1.240 651 I HN 0.707 nan 8.210 nan 0.000 0.423 652 A N 6.264 129.108 122.820 0.041 0.000 2.304 652 A HA 0.777 5.049 4.320 -0.080 0.000 0.314 652 A C -0.784 176.731 177.584 -0.114 0.000 1.187 652 A CA -0.519 51.553 52.037 0.059 0.000 0.810 652 A CB 1.152 20.240 19.000 0.146 0.000 1.183 652 A HN 0.439 nan 8.150 nan 0.000 0.487 653 V N 2.127 121.929 119.914 -0.187 0.000 2.398 653 V HA 0.567 4.640 4.120 -0.080 0.000 0.286 653 V C 0.981 176.706 176.094 -0.614 0.000 1.026 653 V CA 0.362 62.329 62.300 -0.556 0.000 0.868 653 V CB 0.875 32.033 31.823 -1.107 0.000 0.982 653 V HN 2.098 nan 8.190 nan 0.000 0.443 654 A N 5.561 127.998 122.820 -0.639 0.000 2.511 654 A HA -0.104 4.168 4.320 -0.080 0.000 0.297 654 A C -1.704 175.737 177.584 -0.239 0.000 1.476 654 A CA 0.431 51.998 52.037 -0.784 0.000 0.757 654 A CB -1.598 17.069 19.000 -0.555 0.000 1.072 654 A HN 0.626 nan 8.150 nan 0.000 0.413 655 P HA 0.413 nan 4.420 nan 0.000 0.277 655 P C 0.221 177.486 177.300 -0.059 0.000 1.240 655 P CA -0.166 62.919 63.100 -0.025 0.000 0.798 655 P CB 1.335 33.047 31.700 0.021 0.000 0.979 656 V N 2.312 122.098 119.914 -0.214 0.000 2.686 656 V HA 0.075 4.148 4.120 -0.080 0.000 0.295 656 V C 1.682 177.581 176.094 -0.325 0.000 1.055 656 V CA 0.980 62.995 62.300 -0.476 0.000 1.050 656 V CB 0.903 32.040 31.823 -1.143 0.000 0.984 656 V HN 0.845 nan 8.190 nan 0.000 0.482 657 S N 3.725 119.259 115.700 -0.277 0.000 2.619 657 S HA 0.247 4.669 4.470 -0.080 0.000 0.238 657 S C 0.425 174.855 174.600 -0.282 0.000 1.068 657 S CA -0.372 57.739 58.200 -0.148 0.000 0.926 657 S CB 0.312 63.489 63.200 -0.037 0.000 0.864 657 S HN 0.830 nan 8.310 nan 0.000 0.493 658 R N -1.069 119.144 120.500 -0.480 0.000 2.515 658 R HA 0.459 4.752 4.340 -0.080 0.000 0.278 658 R C -0.939 175.010 176.300 -0.586 0.000 1.107 658 R CA -0.848 54.903 56.100 -0.581 0.000 0.945 658 R CB -0.153 29.735 30.300 -0.687 0.000 1.219 658 R HN 0.118 nan 8.270 nan 0.000 0.434 659 W N 1.647 122.855 121.300 -0.153 0.000 2.387 659 W HA -0.057 4.552 4.660 -0.084 0.000 0.272 659 W C 1.180 177.824 176.519 0.208 0.000 1.224 659 W CA 0.987 58.336 57.345 0.006 0.000 1.210 659 W CB 0.207 29.595 29.460 -0.119 0.000 1.125 659 W HN 0.733 nan 8.180 nan 0.000 0.572 660 E N -1.050 119.289 120.200 0.233 0.000 2.338 660 E HA -0.194 4.108 4.350 -0.080 0.000 0.197 660 E C 1.389 178.128 176.600 0.231 0.000 1.007 660 E CA 0.770 57.270 56.400 0.165 0.000 0.849 660 E CB -0.218 29.466 29.700 -0.027 0.000 0.774 660 E HN 0.362 nan 8.360 nan 0.000 0.506 661 Y N -1.361 119.011 120.300 0.120 0.000 2.519 661 Y HA 0.017 4.519 4.550 -0.080 0.000 0.287 661 Y C 0.832 176.820 175.900 0.146 0.000 1.128 661 Y CA -0.118 58.026 58.100 0.073 0.000 1.282 661 Y CB -0.423 38.023 38.460 -0.025 0.000 1.027 661 Y HN 0.020 nan 8.280 nan 0.000 0.551 662 Y N 1.751 122.192 120.300 0.235 0.000 2.408 662 Y HA 0.280 4.784 4.550 -0.077 0.000 0.324 662 Y C 0.311 176.426 175.900 0.357 0.000 1.302 662 Y CA -2.087 56.162 58.100 0.249 0.000 1.384 662 Y CB 0.317 38.937 38.460 0.266 0.000 1.367 662 Y HN 0.179 nan 8.280 nan 0.000 0.525 663 D N -0.692 119.422 120.400 -0.476 0.000 2.362 663 D HA 0.110 4.702 4.640 -0.080 0.000 0.242 663 D C 0.962 177.244 176.300 -0.030 0.000 1.132 663 D CA 0.336 54.150 54.000 -0.311 0.000 0.907 663 D CB 0.942 41.314 40.800 -0.713 0.000 1.195 663 D HN 0.477 nan 8.370 nan 0.000 0.429 664 S N 1.100 116.793 115.700 -0.011 0.000 2.359 664 S HA -0.227 4.196 4.470 -0.080 0.000 0.224 664 S C 1.880 176.504 174.600 0.041 0.000 1.035 664 S CA 1.223 59.463 58.200 0.067 0.000 1.018 664 S CB -0.976 62.269 63.200 0.075 0.000 0.876 664 S HN 0.434 nan 8.310 nan 0.000 0.448 665 V N 0.623 120.498 119.914 -0.065 0.000 2.295 665 V HA -0.140 3.932 4.120 -0.080 0.000 0.246 665 V C 2.312 178.326 176.094 -0.134 0.000 1.049 665 V CA 2.149 64.329 62.300 -0.200 0.000 1.024 665 V CB -1.062 30.483 31.823 -0.463 0.000 0.648 665 V HN 0.621 nan 8.190 nan 0.000 0.447 666 Y N 1.258 121.488 120.300 -0.117 0.000 2.176 666 Y HA -0.179 4.322 4.550 -0.081 0.000 0.291 666 Y C 2.705 178.594 175.900 -0.018 0.000 1.122 666 Y CA 2.157 60.258 58.100 0.001 0.000 1.128 666 Y CB -0.496 38.156 38.460 0.321 0.000 1.005 666 Y HN 0.214 nan 8.280 nan 0.000 0.509 667 T N 0.472 115.247 114.554 0.369 0.000 2.674 667 T HA -0.206 4.096 4.350 -0.080 0.000 0.265 667 T C 1.540 176.222 174.700 -0.029 0.000 1.039 667 T CA 1.998 64.248 62.100 0.251 0.000 1.150 667 T CB -0.347 68.818 68.868 0.496 0.000 0.864 667 T HN 0.439 nan 8.240 nan 0.000 0.427 668 E N 0.686 120.900 120.200 0.022 0.000 2.204 668 E HA -0.114 4.188 4.350 -0.080 0.000 0.195 668 E C 2.347 178.827 176.600 -0.200 0.000 0.990 668 E CA 0.446 56.844 56.400 -0.002 0.000 0.821 668 E CB -0.160 29.584 29.700 0.073 0.000 0.750 668 E HN 0.343 nan 8.360 nan 0.000 0.477 669 R N 0.470 120.700 120.500 -0.450 0.000 2.127 669 R HA -0.192 4.101 4.340 -0.080 0.000 0.238 669 R C 1.070 176.841 176.300 -0.880 0.000 1.134 669 R CA 1.518 57.179 56.100 -0.732 0.000 0.975 669 R CB -0.007 29.617 30.300 -1.125 0.000 0.865 669 R HN 0.275 nan 8.270 nan 0.000 0.447 670 Y N -1.755 118.254 120.300 -0.485 0.000 2.498 670 Y HA 0.243 4.747 4.550 -0.077 0.000 0.259 670 Y C 1.739 177.466 175.900 -0.289 0.000 1.086 670 Y CA 0.032 57.840 58.100 -0.486 0.000 1.287 670 Y CB 0.437 38.480 38.460 -0.695 0.000 1.146 670 Y HN -0.074 nan 8.280 nan 0.000 0.523 671 M N -0.298 119.198 119.600 -0.174 0.000 2.313 671 M HA 0.367 4.800 4.480 -0.080 0.000 0.273 671 M C 1.025 177.351 176.300 0.044 0.000 1.049 671 M CA 0.674 55.871 55.300 -0.172 0.000 1.004 671 M CB -0.175 32.100 32.600 -0.542 0.000 1.461 671 M HN 0.340 nan 8.290 nan 0.000 0.514 672 G N 2.026 110.862 108.800 0.061 0.000 2.601 672 G HA2 -0.229 3.683 3.960 -0.080 0.000 0.261 672 G HA3 -0.229 3.683 3.960 -0.080 0.000 0.261 672 G C -0.699 174.344 174.900 0.238 0.000 1.289 672 G CA -0.709 44.464 45.100 0.122 0.000 0.920 672 G HN 0.261 nan 8.290 nan 0.000 0.571 673 L N 2.449 123.779 121.223 0.178 0.000 2.379 673 L HA 0.544 4.836 4.340 -0.080 0.000 0.269 673 L C -1.419 175.454 176.870 0.005 0.000 1.084 673 L CA -1.767 53.133 54.840 0.100 0.000 0.802 673 L CB 1.340 43.419 42.059 0.032 0.000 1.175 673 L HN 0.445 nan 8.230 nan 0.000 0.448 674 P HA 0.157 nan 4.420 nan 0.000 0.225 674 P C -0.970 176.193 177.300 -0.229 0.000 1.830 674 P CA -0.186 62.549 63.100 -0.608 0.000 1.051 674 P CB -0.193 30.849 31.700 -1.095 0.000 1.929 675 T N -1.645 112.856 114.554 -0.088 0.000 2.903 675 T HA 0.452 4.754 4.350 -0.080 0.000 0.299 675 T C -2.425 172.274 174.700 -0.002 0.000 1.093 675 T CA -2.459 59.616 62.100 -0.041 0.000 1.002 675 T CB 1.809 70.663 68.868 -0.024 0.000 1.127 675 T HN -0.298 nan 8.240 nan 0.000 0.488 676 P HA -0.143 nan 4.420 nan 0.000 0.216 676 P C 1.179 178.493 177.300 0.023 0.000 1.157 676 P CA 1.340 64.450 63.100 0.015 0.000 0.880 676 P CB 0.086 31.791 31.700 0.009 0.000 0.791 677 E N -1.002 119.208 120.200 0.017 0.000 2.070 677 E HA -0.194 4.108 4.350 -0.080 0.000 0.197 677 E C 1.667 178.285 176.600 0.030 0.000 1.004 677 E CA 1.692 58.103 56.400 0.019 0.000 0.805 677 E CB -0.643 29.064 29.700 0.011 0.000 0.744 677 E HN 0.378 nan 8.360 nan 0.000 0.451 678 D N -0.858 119.565 120.400 0.039 0.000 2.855 678 D HA 0.040 4.633 4.640 -0.080 0.000 0.257 678 D C -0.211 176.146 176.300 0.096 0.000 1.542 678 D CA 0.179 54.214 54.000 0.059 0.000 1.164 678 D CB 0.115 40.948 40.800 0.054 0.000 1.004 678 D HN -0.000 nan 8.370 nan 0.000 0.293 679 N N 0.093 118.879 118.700 0.144 0.000 2.762 679 N HA 0.203 4.895 4.740 -0.080 0.000 0.252 679 N C -0.242 175.462 175.510 0.323 0.000 1.269 679 N CA -0.105 53.087 53.050 0.237 0.000 0.799 679 N CB 1.034 39.690 38.487 0.280 0.000 1.173 679 N HN 0.109 nan 8.380 nan 0.000 0.516 680 L N 1.836 123.171 121.223 0.187 0.000 2.577 680 L HA 0.380 4.673 4.340 -0.080 0.000 0.225 680 L C 1.312 178.277 176.870 0.159 0.000 1.053 680 L CA 1.040 55.958 54.840 0.129 0.000 0.866 680 L CB 0.148 42.217 42.059 0.017 0.000 1.132 680 L HN 0.245 nan 8.230 nan 0.000 0.486 681 D N -0.629 119.854 120.400 0.138 0.000 2.117 681 D HA -0.233 4.359 4.640 -0.080 0.000 0.197 681 D C 1.766 178.151 176.300 0.141 0.000 0.987 681 D CA 1.784 55.854 54.000 0.116 0.000 0.829 681 D CB -0.006 40.854 40.800 0.100 0.000 0.961 681 D HN 0.517 nan 8.370 nan 0.000 0.460 682 H N -0.834 118.304 119.070 0.114 0.000 2.470 682 H HA -0.044 4.463 4.556 -0.082 0.000 0.289 682 H C 1.660 177.064 175.328 0.127 0.000 1.033 682 H CA 1.097 57.194 56.048 0.082 0.000 1.331 682 H CB -0.261 29.516 29.762 0.025 0.000 1.414 682 H HN 0.129 nan 8.280 nan 0.000 0.545 683 Y N 0.217 120.476 120.300 -0.068 0.000 2.224 683 Y HA -0.138 4.365 4.550 -0.078 0.000 0.289 683 Y C 2.155 178.001 175.900 -0.091 0.000 1.146 683 Y CA 1.300 59.371 58.100 -0.047 0.000 1.182 683 Y CB 0.205 38.681 38.460 0.028 0.000 0.983 683 Y HN 0.129 nan 8.280 nan 0.000 0.524 684 R N -0.600 119.954 120.500 0.090 0.000 2.275 684 R HA -0.014 4.278 4.340 -0.080 0.000 0.199 684 R C 1.046 177.331 176.300 -0.024 0.000 0.989 684 R CA 0.573 56.685 56.100 0.020 0.000 1.016 684 R CB -0.431 29.884 30.300 0.025 0.000 0.918 684 R HN 0.300 nan 8.270 nan 0.000 0.473 685 N N 0.103 118.763 118.700 -0.067 0.000 2.299 685 N HA -0.039 4.654 4.740 -0.080 0.000 0.187 685 N C 0.114 175.568 175.510 -0.092 0.000 1.099 685 N CA 0.247 53.263 53.050 -0.057 0.000 0.867 685 N CB 0.486 38.975 38.487 0.004 0.000 0.974 685 N HN 0.044 nan 8.380 nan 0.000 0.477 686 S N -1.311 114.291 115.700 -0.163 0.000 2.624 686 S HA 0.162 4.584 4.470 -0.080 0.000 0.246 686 S C 0.337 174.979 174.600 0.070 0.000 1.072 686 S CA -0.735 57.442 58.200 -0.039 0.000 1.045 686 S CB -0.579 62.568 63.200 -0.088 0.000 0.851 686 S HN 0.172 nan 8.310 nan 0.000 0.480 687 T N -1.785 112.766 114.554 -0.006 0.000 2.918 687 T HA 0.535 4.837 4.350 -0.080 0.000 0.283 687 T C 1.227 175.922 174.700 -0.008 0.000 1.001 687 T CA -0.620 61.461 62.100 -0.032 0.000 1.041 687 T CB 1.335 70.150 68.868 -0.087 0.000 1.028 687 T HN -0.035 nan 8.240 nan 0.000 0.511 688 V N 1.618 121.523 119.914 -0.015 0.000 2.488 688 V HA -0.074 3.998 4.120 -0.080 0.000 0.246 688 V C 2.612 178.676 176.094 -0.050 0.000 1.046 688 V CA 1.355 63.640 62.300 -0.025 0.000 1.053 688 V CB -0.892 30.910 31.823 -0.035 0.000 0.679 688 V HN 0.824 nan 8.190 nan 0.000 0.458 689 M N 1.155 120.710 119.600 -0.075 0.000 2.144 689 M HA -0.182 4.250 4.480 -0.080 0.000 0.260 689 M C 2.323 178.594 176.300 -0.049 0.000 1.067 689 M CA 2.240 57.490 55.300 -0.083 0.000 1.095 689 M CB -0.945 31.615 32.600 -0.067 0.000 1.365 689 M HN 0.522 nan 8.290 nan 0.000 0.406 690 S N -0.649 115.034 115.700 -0.029 0.000 2.507 690 S HA -0.061 4.361 4.470 -0.080 0.000 0.235 690 S C 1.727 176.332 174.600 0.010 0.000 0.988 690 S CA 0.652 58.845 58.200 -0.011 0.000 0.944 690 S CB -0.345 62.848 63.200 -0.012 0.000 0.762 690 S HN 0.512 nan 8.310 nan 0.000 0.526 691 R N 0.290 120.810 120.500 0.033 0.000 2.432 691 R HA 0.497 4.789 4.340 -0.080 0.000 0.260 691 R C 2.139 178.549 176.300 0.183 0.000 0.935 691 R CA 0.451 56.600 56.100 0.083 0.000 1.080 691 R CB -0.217 30.133 30.300 0.082 0.000 1.155 691 R HN 0.440 nan 8.270 nan 0.000 0.531 692 A N 1.472 124.346 122.820 0.091 0.000 1.915 692 A HA -0.324 3.948 4.320 -0.080 0.000 0.220 692 A C 2.019 179.703 177.584 0.167 0.000 1.198 692 A CA 2.113 54.181 52.037 0.050 0.000 0.647 692 A CB -0.342 18.619 19.000 -0.066 0.000 0.825 692 A HN 0.294 nan 8.150 nan 0.000 0.456 693 E N 0.483 120.745 120.200 0.104 0.000 2.097 693 E HA -0.205 4.097 4.350 -0.080 0.000 0.196 693 E C 1.632 178.293 176.600 0.101 0.000 1.000 693 E CA 2.014 58.466 56.400 0.087 0.000 0.804 693 E CB -0.614 29.116 29.700 0.050 0.000 0.740 693 E HN 0.801 nan 8.360 nan 0.000 0.454 694 N N -1.186 117.564 118.700 0.083 0.000 2.520 694 N HA -0.089 4.603 4.740 -0.080 0.000 0.185 694 N C 0.890 176.369 175.510 -0.052 0.000 1.068 694 N CA 0.239 53.284 53.050 -0.008 0.000 0.911 694 N CB -0.164 38.269 38.487 -0.090 0.000 0.961 694 N HN 0.159 nan 8.380 nan 0.000 0.446 695 F N 1.225 121.137 119.950 -0.064 0.000 2.699 695 F HA 0.031 4.526 4.527 -0.052 0.000 0.298 695 F C 1.930 177.740 175.800 0.016 0.000 1.154 695 F CA 0.585 58.546 58.000 -0.065 0.000 1.457 695 F CB 0.109 39.025 39.000 -0.139 0.000 1.106 695 F HN -0.092 nan 8.300 nan 0.000 0.585 696 K N -0.104 120.396 120.400 0.167 0.000 2.280 696 K HA -0.147 4.125 4.320 -0.080 0.000 0.202 696 K C 1.659 178.318 176.600 0.098 0.000 1.047 696 K CA 0.795 57.161 56.287 0.132 0.000 0.942 696 K CB -0.028 32.530 32.500 0.096 0.000 0.739 696 K HN 0.238 nan 8.250 nan 0.000 0.457 697 Q N -0.040 119.795 119.800 0.058 0.000 2.403 697 Q HA 0.032 4.324 4.340 -0.080 0.000 0.203 697 Q C 0.716 176.751 176.000 0.059 0.000 0.932 697 Q CA 0.355 56.182 55.803 0.041 0.000 0.945 697 Q CB 0.323 29.063 28.738 0.002 0.000 1.045 697 Q HN 0.206 nan 8.270 nan 0.000 0.511 698 V N -3.283 116.683 119.914 0.087 0.000 3.160 698 V HA 0.537 4.609 4.120 -0.080 0.000 0.310 698 V C -1.014 175.226 176.094 0.244 0.000 1.181 698 V CA -1.303 61.078 62.300 0.136 0.000 1.047 698 V CB 2.427 34.289 31.823 0.065 0.000 1.068 698 V HN -0.070 nan 8.190 nan 0.000 0.441 699 E N 1.115 121.499 120.200 0.307 0.000 2.134 699 E HA 0.476 4.778 4.350 -0.080 0.000 0.278 699 E C -1.951 175.029 176.600 0.633 0.000 0.959 699 E CA -0.398 56.263 56.400 0.434 0.000 0.783 699 E CB 1.855 31.763 29.700 0.347 0.000 1.095 699 E HN 0.678 nan 8.360 nan 0.000 0.399 700 Y N 3.524 124.087 120.300 0.438 0.000 2.409 700 Y HA 0.434 4.939 4.550 -0.075 0.000 0.343 700 Y C -1.535 174.435 175.900 0.117 0.000 0.973 700 Y CA -1.156 57.137 58.100 0.322 0.000 1.064 700 Y CB 1.021 39.717 38.460 0.394 0.000 1.207 700 Y HN 0.419 nan 8.280 nan 0.000 0.452 701 L N 8.003 128.953 121.223 -0.456 0.000 2.349 701 L HA 0.508 4.800 4.340 -0.080 0.000 0.278 701 L C -1.840 174.590 176.870 -0.735 0.000 0.996 701 L CA -0.790 53.644 54.840 -0.678 0.000 0.825 701 L CB 1.309 42.666 42.059 -1.170 0.000 1.243 701 L HN 0.677 nan 8.230 nan 0.000 0.412 702 L N 6.577 127.458 121.223 -0.570 0.000 2.313 702 L HA 0.608 4.900 4.340 -0.080 0.000 0.283 702 L C -1.041 175.709 176.870 -0.199 0.000 1.013 702 L CA -0.514 54.033 54.840 -0.488 0.000 0.816 702 L CB 1.776 43.585 42.059 -0.416 0.000 1.236 702 L HN 0.614 nan 8.230 nan 0.000 0.419 703 I N 4.053 124.522 120.570 -0.168 0.000 2.582 703 I HA 0.469 4.592 4.170 -0.080 0.000 0.292 703 I C -1.094 175.024 176.117 0.002 0.000 1.066 703 I CA -0.732 60.526 61.300 -0.071 0.000 1.053 703 I CB 2.168 40.088 38.000 -0.134 0.000 1.241 703 I HN 0.530 nan 8.210 nan 0.000 0.421 704 H N 2.952 122.078 119.070 0.095 0.000 3.085 704 H HA 0.416 4.924 4.556 -0.080 0.000 0.356 704 H C -0.756 174.796 175.328 0.374 0.000 1.178 704 H CA -0.532 55.623 56.048 0.178 0.000 1.214 704 H CB 2.539 32.365 29.762 0.106 0.000 1.881 704 H HN 0.762 nan 8.280 nan 0.000 0.538 705 G N 1.041 110.217 108.800 0.626 0.000 2.390 705 G HA2 0.217 4.130 3.960 -0.080 0.000 0.270 705 G HA3 0.217 4.130 3.960 -0.080 0.000 0.270 705 G C 1.127 176.289 174.900 0.438 0.000 1.211 705 G CA 0.213 45.608 45.100 0.492 0.000 0.842 705 G HN 0.663 nan 8.290 nan 0.000 0.519 706 T N -0.678 113.976 114.554 0.166 0.000 2.962 706 T HA 0.065 4.367 4.350 -0.080 0.000 0.270 706 T C 1.630 176.281 174.700 -0.082 0.000 1.088 706 T CA 1.309 63.317 62.100 -0.153 0.000 1.127 706 T CB 0.140 68.847 68.868 -0.268 0.000 0.883 706 T HN 0.721 nan 8.240 nan 0.000 0.493 707 A N 1.040 123.884 122.820 0.039 0.000 2.842 707 A HA 0.329 4.601 4.320 -0.080 0.000 0.298 707 A C 0.287 177.825 177.584 -0.076 0.000 1.293 707 A CA -0.542 51.477 52.037 -0.029 0.000 0.959 707 A CB -0.253 19.015 19.000 0.446 0.000 1.119 707 A HN 0.379 nan 8.150 nan 0.000 0.564 708 D N 1.481 121.861 120.400 -0.034 0.000 2.338 708 D HA 0.010 4.602 4.640 -0.080 0.000 0.255 708 D C 0.289 176.572 176.300 -0.028 0.000 1.237 708 D CA 0.073 54.172 54.000 0.165 0.000 0.883 708 D CB 0.754 41.819 40.800 0.443 0.000 1.087 708 D HN 0.561 nan 8.370 nan 0.000 0.485 709 D N 2.400 122.851 120.400 0.085 0.000 2.348 709 D HA -0.130 4.462 4.640 -0.080 0.000 0.211 709 D C 0.930 177.233 176.300 0.006 0.000 0.998 709 D CA -0.063 53.957 54.000 0.033 0.000 0.873 709 D CB 0.466 41.252 40.800 -0.022 0.000 0.925 709 D HN 0.231 nan 8.370 nan 0.000 0.524 710 N N 0.834 119.610 118.700 0.126 0.000 2.418 710 N HA -0.046 4.646 4.740 -0.080 0.000 0.199 710 N C -0.055 175.399 175.510 -0.093 0.000 1.044 710 N CA 0.464 53.606 53.050 0.154 0.000 0.943 710 N CB 0.458 39.083 38.487 0.230 0.000 1.154 710 N HN -0.111 nan 8.380 nan 0.000 0.467 711 V N 3.122 122.965 119.914 -0.119 0.000 2.320 711 V HA 0.203 4.275 4.120 -0.080 0.000 0.265 711 V C -0.522 175.614 176.094 0.070 0.000 1.048 711 V CA -0.438 61.836 62.300 -0.043 0.000 0.865 711 V CB -0.417 31.416 31.823 0.018 0.000 1.043 711 V HN 0.291 nan 8.190 nan 0.000 0.474 712 H N 3.438 122.481 119.070 -0.045 0.000 3.001 712 H HA -0.044 4.465 4.556 -0.079 0.000 0.334 712 H C 0.844 176.006 175.328 -0.278 0.000 1.034 712 H CA -0.029 55.909 56.048 -0.184 0.000 1.420 712 H CB 0.681 30.255 29.762 -0.313 0.000 1.405 712 H HN 0.634 nan 8.280 nan 0.000 0.593 713 F N 2.291 122.017 119.950 -0.373 0.000 2.184 713 F HA -0.342 4.138 4.527 -0.078 0.000 0.301 713 F C 2.560 178.086 175.800 -0.456 0.000 1.076 713 F CA 1.950 59.541 58.000 -0.682 0.000 1.295 713 F CB -0.255 38.525 39.000 -0.367 0.000 1.026 713 F HN 0.682 nan 8.300 nan 0.000 0.494 714 Q N 0.111 119.747 119.800 -0.273 0.000 2.142 714 Q HA -0.348 3.945 4.340 -0.080 0.000 0.213 714 Q C 2.163 177.908 176.000 -0.426 0.000 1.004 714 Q CA 2.631 58.225 55.803 -0.348 0.000 0.883 714 Q CB -0.372 28.133 28.738 -0.389 0.000 0.939 714 Q HN 0.602 nan 8.270 nan 0.000 0.413 715 Q N -0.455 119.141 119.800 -0.339 0.000 2.061 715 Q HA -0.141 4.151 4.340 -0.080 0.000 0.204 715 Q C 2.282 178.176 176.000 -0.177 0.000 0.984 715 Q CA 1.796 57.517 55.803 -0.135 0.000 0.846 715 Q CB -0.184 28.552 28.738 -0.003 0.000 0.902 715 Q HN 0.332 nan 8.270 nan 0.000 0.421 716 S N 0.685 116.183 115.700 -0.337 0.000 2.414 716 S HA 0.003 4.425 4.470 -0.080 0.000 0.227 716 S C 2.048 176.390 174.600 -0.430 0.000 1.022 716 S CA 0.702 58.704 58.200 -0.330 0.000 0.958 716 S CB -0.107 62.904 63.200 -0.316 0.000 0.797 716 S HN 0.477 nan 8.310 nan 0.000 0.493 717 A N 1.258 123.706 122.820 -0.620 0.000 2.024 717 A HA -0.133 4.140 4.320 -0.080 0.000 0.220 717 A C 2.095 179.560 177.584 -0.199 0.000 1.164 717 A CA 1.134 52.938 52.037 -0.388 0.000 0.643 717 A CB -0.338 18.481 19.000 -0.302 0.000 0.806 717 A HN 0.368 nan 8.150 nan 0.000 0.451 718 Q N -0.676 119.018 119.800 -0.176 0.000 2.212 718 Q HA 0.077 4.369 4.340 -0.080 0.000 0.199 718 Q C 2.075 178.013 176.000 -0.103 0.000 0.950 718 Q CA 0.776 56.532 55.803 -0.078 0.000 0.863 718 Q CB -0.216 28.551 28.738 0.049 0.000 0.944 718 Q HN 0.773 nan 8.270 nan 0.000 0.465 719 I N 1.226 121.705 120.570 -0.151 0.000 2.202 719 I HA -0.272 3.851 4.170 -0.080 0.000 0.242 719 I C 2.536 178.470 176.117 -0.304 0.000 1.091 719 I CA 1.470 62.637 61.300 -0.222 0.000 1.368 719 I CB -0.372 37.497 38.000 -0.218 0.000 1.058 719 I HN 0.175 nan 8.210 nan 0.000 0.410 720 S N 0.810 116.351 115.700 -0.265 0.000 2.382 720 S HA -0.279 4.143 4.470 -0.080 0.000 0.228 720 S C 2.035 176.587 174.600 -0.081 0.000 1.027 720 S CA 1.472 59.535 58.200 -0.228 0.000 0.991 720 S CB -0.430 62.803 63.200 0.056 0.000 0.823 720 S HN 0.381 nan 8.310 nan 0.000 0.469 721 K N 1.527 121.889 120.400 -0.064 0.000 2.097 721 K HA 0.101 4.373 4.320 -0.080 0.000 0.205 721 K C 2.233 178.808 176.600 -0.041 0.000 1.050 721 K CA 1.041 57.314 56.287 -0.024 0.000 0.938 721 K CB -0.584 31.901 32.500 -0.025 0.000 0.718 721 K HN 0.462 nan 8.250 nan 0.000 0.442 722 A N 0.811 123.576 122.820 -0.091 0.000 1.968 722 A HA -0.032 4.240 4.320 -0.080 0.000 0.217 722 A C 2.004 179.524 177.584 -0.107 0.000 1.169 722 A CA 0.903 52.885 52.037 -0.091 0.000 0.638 722 A CB -0.399 18.533 19.000 -0.114 0.000 0.812 722 A HN 0.286 nan 8.150 nan 0.000 0.446 723 L N -0.744 120.367 121.223 -0.187 0.000 2.072 723 L HA -0.118 4.174 4.340 -0.080 0.000 0.205 723 L C 2.491 179.383 176.870 0.035 0.000 1.079 723 L CA 0.842 55.581 54.840 -0.167 0.000 0.752 723 L CB -0.530 41.252 42.059 -0.461 0.000 0.906 723 L HN 0.221 nan 8.230 nan 0.000 0.436 724 V N -0.121 119.849 119.914 0.092 0.000 2.343 724 V HA -0.295 3.778 4.120 -0.080 0.000 0.247 724 V C 2.076 178.212 176.094 0.069 0.000 1.051 724 V CA 1.860 64.240 62.300 0.134 0.000 1.036 724 V CB -0.513 31.387 31.823 0.128 0.000 0.654 724 V HN 0.437 nan 8.190 nan 0.000 0.451 725 D N 0.353 120.774 120.400 0.034 0.000 2.178 725 D HA -0.115 4.477 4.640 -0.080 0.000 0.201 725 D C 1.809 178.125 176.300 0.026 0.000 0.980 725 D CA 1.777 55.791 54.000 0.023 0.000 0.842 725 D CB -0.128 40.676 40.800 0.007 0.000 0.948 725 D HN 0.564 nan 8.370 nan 0.000 0.472 726 V N -3.388 116.542 119.914 0.027 0.000 3.514 726 V HA 0.482 4.554 4.120 -0.080 0.000 0.301 726 V C 1.209 177.335 176.094 0.055 0.000 1.346 726 V CA 0.300 62.621 62.300 0.035 0.000 1.156 726 V CB -0.161 31.681 31.823 0.031 0.000 1.029 726 V HN 0.154 nan 8.190 nan 0.000 0.428 727 G N 0.420 109.260 108.800 0.067 0.000 2.246 727 G HA2 -0.185 3.727 3.960 -0.080 0.000 0.273 727 G HA3 -0.185 3.727 3.960 -0.080 0.000 0.273 727 G C -0.100 174.866 174.900 0.110 0.000 1.055 727 G CA 0.237 45.386 45.100 0.081 0.000 0.851 727 G HN 0.856 nan 8.290 nan 0.000 0.500 728 V N 0.378 120.380 119.914 0.146 0.000 2.394 728 V HA 0.471 4.543 4.120 -0.080 0.000 0.282 728 V C 0.393 176.672 176.094 0.309 0.000 1.031 728 V CA -0.561 61.857 62.300 0.198 0.000 0.881 728 V CB 1.777 33.710 31.823 0.184 0.000 0.982 728 V HN 0.438 nan 8.190 nan 0.000 0.451 729 D N 4.016 124.570 120.400 0.256 0.000 2.302 729 D HA 0.593 5.185 4.640 -0.080 0.000 0.248 729 D C -0.612 175.912 176.300 0.372 0.000 1.094 729 D CA 0.143 54.276 54.000 0.222 0.000 0.897 729 D CB 0.802 41.670 40.800 0.113 0.000 1.200 729 D HN 0.353 nan 8.370 nan 0.000 0.429 730 F N -0.098 119.932 119.950 0.133 0.000 2.779 730 F HA 0.471 4.950 4.527 -0.080 0.000 0.316 730 F C -1.458 174.401 175.800 0.099 0.000 1.164 730 F CA -1.142 56.960 58.000 0.170 0.000 0.924 730 F CB 0.751 39.886 39.000 0.225 0.000 1.348 730 F HN 0.065 nan 8.300 nan 0.000 0.467 731 Q N 1.396 121.264 119.800 0.112 0.000 2.245 731 Q HA 0.796 5.088 4.340 -0.080 0.000 0.256 731 Q C -0.803 175.188 176.000 -0.015 0.000 0.942 731 Q CA -0.656 55.125 55.803 -0.036 0.000 0.896 731 Q CB 1.997 30.743 28.738 0.014 0.000 1.272 731 Q HN 1.026 nan 8.270 nan 0.000 0.442 732 A N 2.076 124.858 122.820 -0.064 0.000 2.498 732 A HA 0.855 5.127 4.320 -0.080 0.000 0.298 732 A C -1.251 176.283 177.584 -0.083 0.000 1.075 732 A CA -0.591 51.448 52.037 0.003 0.000 0.714 732 A CB 1.856 20.913 19.000 0.095 0.000 1.299 732 A HN 0.616 nan 8.150 nan 0.000 0.407 733 M N 1.685 121.218 119.600 -0.112 0.000 2.255 733 M HA 0.556 4.989 4.480 -0.080 0.000 0.275 733 M C -1.901 174.240 176.300 -0.266 0.000 1.050 733 M CA -0.608 54.471 55.300 -0.368 0.000 0.978 733 M CB 1.062 33.361 32.600 -0.502 0.000 1.761 733 M HN 0.909 nan 8.290 nan 0.000 0.479 734 W N 4.355 125.488 121.300 -0.279 0.000 2.516 734 W HA 0.763 5.374 4.660 -0.081 0.000 0.343 734 W C -1.957 174.282 176.519 -0.466 0.000 1.094 734 W CA -0.873 56.378 57.345 -0.157 0.000 1.250 734 W CB 0.340 29.757 29.460 -0.072 0.000 1.308 734 W HN 0.624 nan 8.180 nan 0.000 0.588 735 Y N 2.440 122.828 120.300 0.146 0.000 2.464 735 Y HA 0.280 4.782 4.550 -0.081 0.000 0.326 735 Y C 0.534 176.514 175.900 0.133 0.000 0.969 735 Y CA -0.992 57.117 58.100 0.015 0.000 1.270 735 Y CB 1.310 39.769 38.460 -0.001 0.000 1.103 735 Y HN 0.417 nan 8.280 nan 0.000 0.491 736 T N 4.517 119.208 114.554 0.228 0.000 2.866 736 T HA -0.065 4.238 4.350 -0.080 0.000 0.293 736 T C 0.232 174.992 174.700 0.099 0.000 1.005 736 T CA 0.657 62.856 62.100 0.166 0.000 1.162 736 T CB -0.125 68.790 68.868 0.078 0.000 0.968 736 T HN 0.714 nan 8.240 nan 0.000 0.530 737 D N 0.674 121.102 120.400 0.047 0.000 3.077 737 D HA -0.127 4.465 4.640 -0.080 0.000 0.217 737 D C 0.344 176.751 176.300 0.179 0.000 1.162 737 D CA 1.164 55.126 54.000 -0.064 0.000 0.943 737 D CB -0.387 40.163 40.800 -0.417 0.000 1.122 737 D HN 0.573 nan 8.370 nan 0.000 0.413 738 E N 0.758 121.090 120.200 0.219 0.000 2.319 738 E HA 0.365 4.667 4.350 -0.080 0.000 0.268 738 E C 0.777 177.556 176.600 0.298 0.000 1.050 738 E CA -0.283 56.270 56.400 0.254 0.000 0.878 738 E CB 1.221 31.059 29.700 0.231 0.000 1.066 738 E HN 0.334 nan 8.360 nan 0.000 0.406 739 D N -0.907 119.685 120.400 0.319 0.000 2.570 739 D HA 0.022 4.614 4.640 -0.080 0.000 0.266 739 D C 1.037 177.579 176.300 0.402 0.000 1.182 739 D CA -0.263 53.953 54.000 0.360 0.000 1.088 739 D CB -0.254 40.784 40.800 0.396 0.000 1.186 739 D HN 0.387 nan 8.370 nan 0.000 0.618 740 H N -1.503 117.758 119.070 0.319 0.000 2.489 740 H HA 0.089 4.597 4.556 -0.080 0.000 0.295 740 H C 1.826 177.413 175.328 0.431 0.000 1.082 740 H CA 2.106 58.361 56.048 0.346 0.000 1.295 740 H CB -0.357 29.599 29.762 0.323 0.000 1.380 740 H HN 0.494 nan 8.280 nan 0.000 0.548 741 G N -0.479 108.516 108.800 0.325 0.000 2.880 741 G HA2 0.034 3.946 3.960 -0.080 0.000 0.209 741 G HA3 0.034 3.946 3.960 -0.080 0.000 0.209 741 G C 0.609 175.712 174.900 0.337 0.000 1.157 741 G CA 0.199 45.422 45.100 0.204 0.000 0.779 741 G HN 0.496 nan 8.290 nan 0.000 0.539 742 I N 0.190 120.973 120.570 0.355 0.000 3.859 742 I HA -0.336 3.786 4.170 -0.080 0.000 0.126 742 I C 1.540 177.793 176.117 0.228 0.000 1.065 742 I CA 0.205 61.653 61.300 0.247 0.000 2.735 742 I CB -0.986 37.124 38.000 0.183 0.000 1.465 742 I HN 0.257 nan 8.210 nan 0.000 0.341 743 A N 1.425 124.353 122.820 0.179 0.000 2.390 743 A HA 0.295 4.567 4.320 -0.080 0.000 0.232 743 A C 1.136 178.777 177.584 0.095 0.000 1.233 743 A CA 0.504 52.617 52.037 0.126 0.000 0.907 743 A CB 0.174 19.213 19.000 0.066 0.000 0.967 743 A HN 0.622 nan 8.150 nan 0.000 0.512 744 S N -0.398 115.365 115.700 0.106 0.000 2.573 744 S HA 0.181 4.603 4.470 -0.080 0.000 0.277 744 S C 1.270 175.922 174.600 0.087 0.000 1.346 744 S CA 0.364 58.616 58.200 0.087 0.000 1.034 744 S CB 1.079 64.334 63.200 0.092 0.000 0.879 744 S HN 0.527 nan 8.310 nan 0.000 0.528 745 S N 1.985 117.722 115.700 0.062 0.000 2.369 745 S HA -0.219 4.203 4.470 -0.080 0.000 0.225 745 S C 2.125 176.776 174.600 0.085 0.000 1.043 745 S CA 2.552 60.790 58.200 0.062 0.000 1.074 745 S CB -1.724 61.494 63.200 0.031 0.000 0.962 745 S HN 1.077 nan 8.310 nan 0.000 0.433 746 T N -0.121 114.470 114.554 0.063 0.000 2.777 746 T HA 0.137 4.439 4.350 -0.080 0.000 0.266 746 T C 1.979 176.715 174.700 0.061 0.000 1.040 746 T CA 1.447 63.582 62.100 0.059 0.000 1.141 746 T CB -0.975 67.921 68.868 0.045 0.000 0.868 746 T HN 0.508 nan 8.240 nan 0.000 0.444 747 A N 1.535 124.373 122.820 0.031 0.000 1.898 747 A HA -0.075 4.198 4.320 -0.080 0.000 0.216 747 A C 2.200 179.712 177.584 -0.120 0.000 1.181 747 A CA 1.995 53.977 52.037 -0.091 0.000 0.620 747 A CB -1.266 17.650 19.000 -0.140 0.000 0.819 747 A HN 0.762 nan 8.150 nan 0.000 0.442 748 H N -0.024 119.017 119.070 -0.048 0.000 2.319 748 H HA -0.175 4.333 4.556 -0.080 0.000 0.297 748 H C 2.089 177.468 175.328 0.085 0.000 1.097 748 H CA 2.447 58.524 56.048 0.049 0.000 1.285 748 H CB -0.269 29.529 29.762 0.060 0.000 1.368 748 H HN 0.582 nan 8.280 nan 0.000 0.495 749 Q N -1.021 118.726 119.800 -0.088 0.000 2.084 749 Q HA -0.191 4.102 4.340 -0.080 0.000 0.202 749 Q C 2.268 178.224 176.000 -0.072 0.000 0.978 749 Q CA 1.342 57.067 55.803 -0.131 0.000 0.844 749 Q CB -0.227 28.489 28.738 -0.037 0.000 0.898 749 Q HN 0.645 nan 8.270 nan 0.000 0.426 750 H N 0.739 119.752 119.070 -0.095 0.000 2.357 750 H HA -0.072 4.436 4.556 -0.080 0.000 0.301 750 H C 1.987 177.289 175.328 -0.044 0.000 1.082 750 H CA 1.266 57.296 56.048 -0.030 0.000 1.342 750 H CB 0.024 29.819 29.762 0.055 0.000 1.389 750 H HN 0.287 nan 8.280 nan 0.000 0.511 751 I N 0.020 120.547 120.570 -0.072 0.000 2.286 751 I HA -0.300 3.822 4.170 -0.080 0.000 0.245 751 I C 1.716 177.595 176.117 -0.398 0.000 1.104 751 I CA 1.099 62.281 61.300 -0.197 0.000 1.397 751 I CB -0.291 37.410 38.000 -0.499 0.000 1.072 751 I HN 0.114 nan 8.210 nan 0.000 0.417 752 Y N 1.085 121.159 120.300 -0.376 0.000 2.352 752 Y HA -0.197 4.304 4.550 -0.081 0.000 0.292 752 Y C 2.664 178.339 175.900 -0.376 0.000 1.136 752 Y CA 1.750 59.514 58.100 -0.560 0.000 1.227 752 Y CB -0.764 37.369 38.460 -0.545 0.000 0.991 752 Y HN 0.181 nan 8.280 nan 0.000 0.545 753 T N -1.903 112.552 114.554 -0.164 0.000 2.770 753 T HA -0.201 4.101 4.350 -0.080 0.000 0.263 753 T C 1.556 176.128 174.700 -0.214 0.000 1.039 753 T CA 1.744 63.714 62.100 -0.215 0.000 1.142 753 T CB -0.413 68.332 68.868 -0.206 0.000 0.868 753 T HN 0.396 nan 8.240 nan 0.000 0.435 754 H N 0.779 119.729 119.070 -0.201 0.000 2.389 754 H HA 0.148 4.657 4.556 -0.079 0.000 0.299 754 H C 2.059 177.380 175.328 -0.013 0.000 1.081 754 H CA 1.397 57.412 56.048 -0.056 0.000 1.345 754 H CB -0.209 29.507 29.762 -0.078 0.000 1.393 754 H HN 0.266 nan 8.280 nan 0.000 0.520 755 M N -1.093 118.440 119.600 -0.113 0.000 2.288 755 M HA -0.087 4.345 4.480 -0.080 0.000 0.266 755 M C 2.266 178.672 176.300 0.176 0.000 1.072 755 M CA 1.093 56.331 55.300 -0.103 0.000 1.132 755 M CB 0.262 32.565 32.600 -0.496 0.000 1.386 755 M HN 0.163 nan 8.290 nan 0.000 0.432 756 S N -0.608 115.206 115.700 0.190 0.000 2.368 756 S HA -0.117 4.306 4.470 -0.080 0.000 0.224 756 S C 1.709 176.388 174.600 0.132 0.000 1.029 756 S CA 0.881 59.287 58.200 0.344 0.000 0.988 756 S CB -0.522 62.853 63.200 0.292 0.000 0.838 756 S HN 0.466 nan 8.310 nan 0.000 0.462 757 H N 0.039 119.159 119.070 0.083 0.000 2.353 757 H HA -0.034 4.474 4.556 -0.081 0.000 0.300 757 H C 1.961 177.284 175.328 -0.008 0.000 1.090 757 H CA 1.274 57.326 56.048 0.007 0.000 1.327 757 H CB -0.676 29.044 29.762 -0.070 0.000 1.383 757 H HN 0.455 nan 8.280 nan 0.000 0.508 758 F N 1.196 121.132 119.950 -0.023 0.000 2.146 758 F HA -0.151 4.325 4.527 -0.085 0.000 0.298 758 F C 2.229 177.988 175.800 -0.069 0.000 1.096 758 F CA 0.765 58.725 58.000 -0.066 0.000 1.275 758 F CB -0.195 38.745 39.000 -0.101 0.000 1.008 758 F HN -0.041 nan 8.300 nan 0.000 0.480 759 I N 1.189 121.746 120.570 -0.021 0.000 2.286 759 I HA -0.230 3.892 4.170 -0.080 0.000 0.245 759 I C 2.150 178.012 176.117 -0.425 0.000 1.104 759 I CA 1.272 62.380 61.300 -0.321 0.000 1.397 759 I CB -1.193 36.662 38.000 -0.241 0.000 1.072 759 I HN 0.237 nan 8.210 nan 0.000 0.417 760 K N 0.528 120.835 120.400 -0.155 0.000 2.155 760 K HA -0.183 4.089 4.320 -0.080 0.000 0.203 760 K C 1.885 178.461 176.600 -0.039 0.000 1.052 760 K CA 0.745 57.002 56.287 -0.049 0.000 0.948 760 K CB -0.401 32.128 32.500 0.048 0.000 0.728 760 K HN 0.374 nan 8.250 nan 0.000 0.448 761 Q N 1.792 121.531 119.800 -0.101 0.000 2.046 761 Q HA -0.167 4.126 4.340 -0.080 0.000 0.200 761 Q C 2.174 178.099 176.000 -0.124 0.000 0.975 761 Q CA 1.613 57.353 55.803 -0.105 0.000 0.836 761 Q CB -0.487 28.168 28.738 -0.138 0.000 0.896 761 Q HN 0.376 nan 8.270 nan 0.000 0.428 762 c N 0.009 118.443 118.600 -0.277 0.000 2.422 762 c HA -0.003 4.519 4.570 -0.080 0.000 0.279 762 c C 2.215 176.418 174.090 0.188 0.000 1.305 762 c CA 0.254 56.473 56.329 -0.183 0.000 1.757 762 c CB -1.294 40.969 42.510 -0.410 0.000 1.962 762 c HN 0.581 nan 8.230 nan 0.000 0.499 763 F N 0.599 120.504 119.950 -0.075 0.000 2.660 763 F HA 0.134 4.610 4.527 -0.086 0.000 0.302 763 F C 1.359 177.142 175.800 -0.028 0.000 1.103 763 F CA -0.050 57.929 58.000 -0.034 0.000 1.340 763 F CB -0.112 38.877 39.000 -0.019 0.000 1.048 763 F HN 0.097 nan 8.300 nan 0.000 0.551 764 S N 1.700 117.483 115.700 0.140 0.000 3.628 764 S HA -0.206 4.216 4.470 -0.080 0.000 0.373 764 S C -0.471 174.171 174.600 0.070 0.000 0.968 764 S CA 0.261 58.504 58.200 0.072 0.000 1.215 764 S CB -1.513 61.715 63.200 0.047 0.000 0.912 764 S HN 0.396 nan 8.310 nan 0.000 0.495 765 L N -0.516 120.755 121.223 0.080 0.000 2.540 765 L HA 0.731 5.023 4.340 -0.080 0.000 0.256 765 L C -2.415 174.495 176.870 0.067 0.000 1.001 765 L CA -1.648 53.234 54.840 0.070 0.000 0.843 765 L CB 1.053 43.167 42.059 0.091 0.000 1.436 765 L HN -0.143 nan 8.230 nan 0.000 0.410 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.146 63.100 0.076 0.000 0.800 766 P CB 0.000 31.739 31.700 0.066 0.000 0.726