REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2oag_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.650 174.600 0.084 0.000 1.055 39 S CA 0.000 58.248 58.200 0.080 0.000 1.107 39 S CB 0.000 63.271 63.200 0.119 0.000 0.593 40 R N 1.341 121.885 120.500 0.074 0.000 2.789 40 R HA -0.074 4.267 4.340 0.002 0.000 0.306 40 R C 0.641 176.992 176.300 0.084 0.000 0.469 40 R CA 1.181 57.325 56.100 0.075 0.000 1.820 40 R CB -0.994 29.351 30.300 0.074 0.000 0.529 40 R HN 0.923 nan 8.270 nan 0.000 0.639 41 K N -0.006 120.450 120.400 0.093 0.000 2.177 41 K HA 0.381 4.702 4.320 0.002 0.000 0.238 41 K C -0.321 176.348 176.600 0.115 0.000 1.015 41 K CA -0.237 56.113 56.287 0.105 0.000 0.922 41 K CB 1.211 33.781 32.500 0.116 0.000 1.127 41 K HN 0.844 nan 8.250 nan 0.000 0.469 42 T N -2.694 111.938 114.554 0.129 0.000 2.937 42 T HA 0.262 4.613 4.350 0.002 0.000 0.283 42 T C -0.586 174.244 174.700 0.218 0.000 1.012 42 T CA -0.712 61.477 62.100 0.149 0.000 0.997 42 T CB 0.500 69.448 68.868 0.134 0.000 1.136 42 T HN 0.468 nan 8.240 nan 0.000 0.551 43 Y N 2.681 123.053 120.300 0.120 0.000 2.585 43 Y HA 0.368 4.919 4.550 0.002 0.000 0.354 43 Y C 1.018 177.083 175.900 0.275 0.000 1.024 43 Y CA -0.391 57.824 58.100 0.192 0.000 1.321 43 Y CB -0.321 38.212 38.460 0.121 0.000 1.151 43 Y HN 1.009 nan 8.280 nan 0.000 0.525 44 T N 2.303 116.852 114.554 -0.008 0.000 2.788 44 T HA 0.098 4.449 4.350 0.002 0.000 0.280 44 T C 1.034 175.640 174.700 -0.156 0.000 0.984 44 T CA -0.622 61.516 62.100 0.063 0.000 0.972 44 T CB 1.089 69.961 68.868 0.007 0.000 1.039 44 T HN 0.683 nan 8.240 nan 0.000 0.530 45 L N 0.952 121.926 121.223 -0.415 0.000 2.046 45 L HA 0.034 4.375 4.340 0.002 0.000 0.208 45 L C 2.617 179.348 176.870 -0.232 0.000 1.077 45 L CA 2.141 56.607 54.840 -0.622 0.000 0.747 45 L CB -1.585 39.966 42.059 -0.847 0.000 0.896 45 L HN 0.952 nan 8.230 nan 0.000 0.432 46 T N -0.329 114.109 114.554 -0.193 0.000 2.759 46 T HA -0.168 4.183 4.350 0.002 0.000 0.269 46 T C 1.495 176.100 174.700 -0.158 0.000 1.042 46 T CA 1.511 63.528 62.100 -0.139 0.000 1.140 46 T CB -0.401 68.406 68.868 -0.102 0.000 0.864 46 T HN 0.425 nan 8.240 nan 0.000 0.455 47 D N 0.116 120.382 120.400 -0.224 0.000 2.123 47 D HA -0.098 4.543 4.640 0.002 0.000 0.196 47 D C 1.770 177.964 176.300 -0.178 0.000 0.992 47 D CA 1.089 54.916 54.000 -0.290 0.000 0.833 47 D CB -0.364 40.135 40.800 -0.501 0.000 0.954 47 D HN 0.437 nan 8.370 nan 0.000 0.455 48 Y N 1.514 121.642 120.300 -0.285 0.000 2.163 48 Y HA -0.086 4.464 4.550 0.001 0.000 0.288 48 Y C 2.186 178.097 175.900 0.018 0.000 1.136 48 Y CA 1.186 59.295 58.100 0.015 0.000 1.147 48 Y CB -0.527 38.004 38.460 0.120 0.000 0.987 48 Y HN -0.111 nan 8.280 nan 0.000 0.509 49 L N -0.128 120.929 121.223 -0.276 0.000 2.156 49 L HA -0.121 4.220 4.340 0.002 0.000 0.208 49 L C 1.846 178.610 176.870 -0.176 0.000 1.095 49 L CA 1.108 55.762 54.840 -0.310 0.000 0.770 49 L CB -0.381 41.571 42.059 -0.179 0.000 0.914 49 L HN 0.040 nan 8.230 nan 0.000 0.439 50 K N -0.101 120.217 120.400 -0.136 0.000 2.358 50 K HA 0.072 4.393 4.320 0.002 0.000 0.197 50 K C 0.032 176.579 176.600 -0.089 0.000 1.025 50 K CA -0.104 56.124 56.287 -0.099 0.000 1.104 50 K CB -0.292 32.152 32.500 -0.094 0.000 0.855 50 K HN 0.259 nan 8.250 nan 0.000 0.531 51 N N 1.674 120.327 118.700 -0.079 0.000 2.696 51 N HA -0.219 4.522 4.740 0.002 0.000 0.256 51 N C 0.520 176.002 175.510 -0.046 0.000 1.031 51 N CA 0.419 53.460 53.050 -0.015 0.000 0.730 51 N CB -0.337 38.142 38.487 -0.013 0.000 0.894 51 N HN 0.327 nan 8.380 nan 0.000 0.544 52 T N -2.496 111.972 114.554 -0.144 0.000 2.951 52 T HA -0.105 4.246 4.350 0.002 0.000 0.268 52 T C 0.467 174.928 174.700 -0.398 0.000 1.073 52 T CA 1.009 62.909 62.100 -0.333 0.000 1.134 52 T CB -0.074 68.458 68.868 -0.559 0.000 0.884 52 T HN 0.349 nan 8.240 nan 0.000 0.479 53 Y N 1.823 122.215 120.300 0.153 0.000 2.721 53 Y HA 0.646 5.197 4.550 0.001 0.000 0.328 53 Y C 0.357 176.362 175.900 0.174 0.000 1.003 53 Y CA -1.894 56.318 58.100 0.187 0.000 1.275 53 Y CB 0.533 39.167 38.460 0.290 0.000 1.097 53 Y HN -0.005 nan 8.280 nan 0.000 0.514 54 R N 2.516 123.149 120.500 0.222 0.000 2.308 54 R HA 0.458 4.799 4.340 0.002 0.000 0.305 54 R C -1.051 175.353 176.300 0.173 0.000 1.053 54 R CA -0.225 55.974 56.100 0.166 0.000 0.957 54 R CB 0.414 30.772 30.300 0.097 0.000 1.022 54 R HN 0.701 nan 8.270 nan 0.000 0.461 55 L N 4.725 126.052 121.223 0.172 0.000 2.290 55 L HA 0.299 4.640 4.340 0.002 0.000 0.284 55 L C 0.284 177.230 176.870 0.128 0.000 1.078 55 L CA -0.133 54.808 54.840 0.169 0.000 0.815 55 L CB 1.065 43.246 42.059 0.203 0.000 1.162 55 L HN 0.531 nan 8.230 nan 0.000 0.435 56 K N 4.390 124.860 120.400 0.116 0.000 2.174 56 K HA 0.599 4.920 4.320 0.002 0.000 0.275 56 K C -0.681 175.958 176.600 0.065 0.000 1.015 56 K CA -0.418 55.915 56.287 0.077 0.000 0.933 56 K CB 1.237 33.779 32.500 0.069 0.000 1.025 56 K HN 0.415 nan 8.250 nan 0.000 0.463 57 L N 1.185 122.376 121.223 -0.054 0.000 2.267 57 L HA 0.516 4.857 4.340 0.002 0.000 0.264 57 L C -0.814 175.788 176.870 -0.446 0.000 1.021 57 L CA -1.145 53.514 54.840 -0.301 0.000 0.861 57 L CB 0.658 42.649 42.059 -0.114 0.000 1.443 57 L HN 0.547 nan 8.230 nan 0.000 0.475 58 Y N 0.208 119.986 120.300 -0.871 0.000 2.516 58 Y HA 0.323 4.874 4.550 0.002 0.000 0.329 58 Y C -0.699 175.040 175.900 -0.268 0.000 1.095 58 Y CA -0.567 57.240 58.100 -0.487 0.000 1.213 58 Y CB 1.004 39.042 38.460 -0.703 0.000 1.109 58 Y HN 0.448 nan 8.280 nan 0.000 0.630 59 S N 5.077 120.701 115.700 -0.126 0.000 2.430 59 S HA 0.475 4.946 4.470 0.002 0.000 0.282 59 S C -0.473 174.078 174.600 -0.083 0.000 1.186 59 S CA -0.381 57.776 58.200 -0.072 0.000 1.060 59 S CB -0.260 62.897 63.200 -0.072 0.000 0.966 59 S HN 0.535 nan 8.310 nan 0.000 0.501 60 L N 1.281 122.434 121.223 -0.116 0.000 2.303 60 L HA 0.815 5.156 4.340 0.002 0.000 0.266 60 L C -0.202 176.550 176.870 -0.197 0.000 1.011 60 L CA -0.878 53.838 54.840 -0.207 0.000 0.818 60 L CB 0.899 42.564 42.059 -0.658 0.000 1.326 60 L HN 0.266 nan 8.230 nan 0.000 0.435 61 R N 0.949 121.363 120.500 -0.142 0.000 2.468 61 R HA 0.307 4.648 4.340 0.002 0.000 0.302 61 R C -1.868 174.447 176.300 0.026 0.000 1.041 61 R CA -0.506 55.573 56.100 -0.036 0.000 0.899 61 R CB 0.909 31.222 30.300 0.023 0.000 1.167 61 R HN 0.863 nan 8.270 nan 0.000 0.483 62 W N 5.348 126.739 121.300 0.151 0.000 2.251 62 W HA 0.096 4.757 4.660 0.002 0.000 0.327 62 W C 1.809 178.405 176.519 0.129 0.000 1.361 62 W CA -0.323 57.128 57.345 0.177 0.000 1.234 62 W CB 0.524 30.084 29.460 0.167 0.000 1.212 62 W HN 0.580 nan 8.180 nan 0.000 0.557 63 I N 0.186 120.982 120.570 0.376 0.000 4.227 63 I HA 0.296 4.467 4.170 0.002 0.000 0.334 63 I C 0.690 176.942 176.117 0.226 0.000 1.341 63 I CA -0.085 61.343 61.300 0.213 0.000 1.123 63 I CB -0.056 37.995 38.000 0.085 0.000 1.097 63 I HN 0.281 nan 8.210 nan 0.000 0.399 64 S N -0.300 115.589 115.700 0.314 0.000 2.929 64 S HA 0.314 4.785 4.470 0.002 0.000 0.311 64 S C -0.196 174.525 174.600 0.202 0.000 1.213 64 S CA -0.102 58.256 58.200 0.263 0.000 0.908 64 S CB 1.535 64.929 63.200 0.324 0.000 1.287 64 S HN 0.084 nan 8.310 nan 0.000 0.594 65 D N -1.081 119.361 120.400 0.070 0.000 2.339 65 D HA 0.271 4.912 4.640 0.002 0.000 0.217 65 D C 0.752 176.849 176.300 -0.339 0.000 1.050 65 D CA 0.685 54.523 54.000 -0.269 0.000 0.856 65 D CB 0.045 40.578 40.800 -0.445 0.000 0.922 65 D HN 0.615 nan 8.370 nan 0.000 0.518 66 H N -1.717 117.529 119.070 0.293 0.000 3.457 66 H HA 0.444 5.001 4.556 0.002 0.000 0.255 66 H C -0.084 175.446 175.328 0.336 0.000 1.082 66 H CA -0.267 56.000 56.048 0.365 0.000 1.189 66 H CB 0.576 30.492 29.762 0.257 0.000 1.511 66 H HN -0.013 nan 8.280 nan 0.000 0.527 67 E N 0.733 121.231 120.200 0.498 0.000 2.336 67 E HA 0.427 4.778 4.350 0.002 0.000 0.267 67 E C -1.411 175.459 176.600 0.450 0.000 0.906 67 E CA -1.319 55.287 56.400 0.344 0.000 0.781 67 E CB 2.865 32.683 29.700 0.196 0.000 1.261 67 E HN 0.220 nan 8.360 nan 0.000 0.436 68 Y N -1.047 119.330 120.300 0.128 0.000 2.562 68 Y HA 0.566 5.117 4.550 0.002 0.000 0.345 68 Y C -1.717 174.162 175.900 -0.035 0.000 1.045 68 Y CA -1.327 56.712 58.100 -0.101 0.000 1.028 68 Y CB 0.784 38.795 38.460 -0.748 0.000 1.297 68 Y HN 0.344 nan 8.280 nan 0.000 0.463 69 L N 3.831 125.155 121.223 0.170 0.000 2.289 69 L HA 0.354 4.695 4.340 0.002 0.000 0.285 69 L C -1.267 175.748 176.870 0.243 0.000 1.049 69 L CA -0.876 54.018 54.840 0.090 0.000 0.804 69 L CB 1.112 43.089 42.059 -0.137 0.000 1.195 69 L HN 0.767 nan 8.230 nan 0.000 0.428 70 Y N 4.453 124.841 120.300 0.147 0.000 2.555 70 Y HA 0.328 4.879 4.550 0.002 0.000 0.326 70 Y C -0.122 175.757 175.900 -0.035 0.000 0.984 70 Y CA -1.111 57.000 58.100 0.018 0.000 1.298 70 Y CB 0.536 39.018 38.460 0.036 0.000 1.094 70 Y HN 0.449 nan 8.280 nan 0.000 0.500 71 K N 4.322 124.434 120.400 -0.480 0.000 2.276 71 K HA 0.215 4.536 4.320 0.002 0.000 0.259 71 K C -0.358 175.843 176.600 -0.665 0.000 1.001 71 K CA -0.213 55.803 56.287 -0.451 0.000 0.927 71 K CB 0.859 33.158 32.500 -0.335 0.000 0.969 71 K HN 0.715 nan 8.250 nan 0.000 0.490 72 Q N 0.219 119.790 119.800 -0.382 0.000 2.892 72 Q HA 0.113 4.454 4.340 0.002 0.000 0.307 72 Q C 0.593 176.486 176.000 -0.178 0.000 1.039 72 Q CA -0.779 54.844 55.803 -0.301 0.000 0.792 72 Q CB 1.424 30.062 28.738 -0.165 0.000 1.504 72 Q HN 0.554 nan 8.270 nan 0.000 0.487 73 E N 0.140 120.272 120.200 -0.113 0.000 2.110 73 E HA -0.179 4.172 4.350 0.002 0.000 0.193 73 E C 0.800 177.377 176.600 -0.038 0.000 0.988 73 E CA 1.205 57.567 56.400 -0.064 0.000 0.804 73 E CB 0.321 29.998 29.700 -0.039 0.000 0.745 73 E HN 0.375 nan 8.360 nan 0.000 0.458 74 N N 0.422 119.097 118.700 -0.042 0.000 2.523 74 N HA -0.022 4.719 4.740 0.002 0.000 0.209 74 N C 0.382 175.870 175.510 -0.036 0.000 1.039 74 N CA 0.546 53.583 53.050 -0.022 0.000 1.002 74 N CB 0.026 38.503 38.487 -0.016 0.000 1.270 74 N HN 0.150 nan 8.380 nan 0.000 0.481 75 N N 0.082 118.748 118.700 -0.058 0.000 2.381 75 N HA 0.428 5.169 4.740 0.002 0.000 0.294 75 N C -1.007 174.446 175.510 -0.095 0.000 1.216 75 N CA -0.581 52.427 53.050 -0.071 0.000 0.803 75 N CB 1.420 39.880 38.487 -0.044 0.000 1.372 75 N HN -0.029 nan 8.380 nan 0.000 0.500 76 I N 0.592 121.110 120.570 -0.087 0.000 2.342 76 I HA 0.281 4.452 4.170 0.002 0.000 0.291 76 I C -0.252 175.889 176.117 0.040 0.000 1.010 76 I CA -0.704 60.557 61.300 -0.066 0.000 1.308 76 I CB 0.546 38.496 38.000 -0.083 0.000 1.400 76 I HN 0.267 nan 8.210 nan 0.000 0.488 77 L N 6.385 127.643 121.223 0.059 0.000 2.322 77 L HA 0.642 4.983 4.340 0.002 0.000 0.269 77 L C -0.439 176.473 176.870 0.070 0.000 1.012 77 L CA -1.035 53.837 54.840 0.053 0.000 0.815 77 L CB 2.207 44.277 42.059 0.019 0.000 1.295 77 L HN 0.309 nan 8.230 nan 0.000 0.438 78 V N 1.454 121.345 119.914 -0.039 0.000 2.448 78 V HA 0.518 4.639 4.120 0.002 0.000 0.295 78 V C -1.060 174.888 176.094 -0.243 0.000 1.025 78 V CA -0.230 62.043 62.300 -0.046 0.000 0.859 78 V CB 1.518 33.375 31.823 0.057 0.000 0.988 78 V HN 0.460 nan 8.190 nan 0.000 0.431 79 F N 5.123 124.825 119.950 -0.414 0.000 2.492 79 F HA 0.512 5.040 4.527 0.002 0.000 0.327 79 F C 0.488 176.023 175.800 -0.442 0.000 1.079 79 F CA -0.521 57.150 58.000 -0.548 0.000 0.967 79 F CB 1.749 40.078 39.000 -1.118 0.000 1.169 79 F HN 0.512 nan 8.300 nan 0.000 0.472 80 N N 1.920 120.577 118.700 -0.072 0.000 2.439 80 N HA 0.254 4.995 4.740 0.002 0.000 0.249 80 N C 0.417 175.886 175.510 -0.069 0.000 1.003 80 N CA 0.072 53.113 53.050 -0.015 0.000 0.942 80 N CB 1.785 40.314 38.487 0.071 0.000 1.115 80 N HN 0.812 nan 8.380 nan 0.000 0.505 81 A N 3.729 126.473 122.820 -0.125 0.000 1.940 81 A HA -0.203 4.118 4.320 0.002 0.000 0.219 81 A C 1.904 179.166 177.584 -0.536 0.000 1.176 81 A CA 1.711 53.555 52.037 -0.321 0.000 0.631 81 A CB -0.420 18.242 19.000 -0.564 0.000 0.814 81 A HN 0.816 nan 8.150 nan 0.000 0.446 82 E N -0.984 118.899 120.200 -0.527 0.000 2.031 82 E HA -0.183 4.168 4.350 0.002 0.000 0.193 82 E C 1.522 177.797 176.600 -0.542 0.000 0.994 82 E CA 1.935 58.011 56.400 -0.541 0.000 0.800 82 E CB -0.381 28.891 29.700 -0.713 0.000 0.752 82 E HN 0.701 nan 8.360 nan 0.000 0.447 83 Y N -1.818 118.475 120.300 -0.013 0.000 2.503 83 Y HA 0.372 4.923 4.550 0.002 0.000 0.277 83 Y C 1.787 177.683 175.900 -0.005 0.000 1.102 83 Y CA 0.423 58.520 58.100 -0.005 0.000 1.261 83 Y CB 0.620 39.081 38.460 0.001 0.000 1.096 83 Y HN 0.248 nan 8.280 nan 0.000 0.546 84 G N 0.486 109.350 108.800 0.106 0.000 2.195 84 G HA2 -0.295 3.666 3.960 0.002 0.000 0.246 84 G HA3 -0.295 3.666 3.960 0.002 0.000 0.246 84 G C 0.054 175.049 174.900 0.158 0.000 0.984 84 G CA 0.039 45.219 45.100 0.134 0.000 0.633 84 G HN 0.445 nan 8.290 nan 0.000 0.525 85 N N 0.937 119.692 118.700 0.091 0.000 2.453 85 N HA 0.476 5.217 4.740 0.002 0.000 0.253 85 N C 0.162 175.568 175.510 -0.173 0.000 1.252 85 N CA 0.839 53.880 53.050 -0.015 0.000 0.917 85 N CB 1.378 39.862 38.487 -0.004 0.000 1.117 85 N HN 0.940 nan 8.380 nan 0.000 0.442 86 S N -0.188 115.309 115.700 -0.338 0.000 2.704 86 S HA 0.789 5.260 4.470 0.002 0.000 0.296 86 S C -0.805 173.588 174.600 -0.345 0.000 1.138 86 S CA -0.811 57.026 58.200 -0.606 0.000 0.875 86 S CB 1.633 63.998 63.200 -1.393 0.000 1.151 86 S HN 0.653 nan 8.310 nan 0.000 0.500 87 S N -0.215 115.302 115.700 -0.306 0.000 2.607 87 S HA 0.581 5.051 4.470 0.002 0.000 0.273 87 S C -1.122 173.408 174.600 -0.116 0.000 1.148 87 S CA -0.769 57.334 58.200 -0.161 0.000 0.833 87 S CB 1.573 64.715 63.200 -0.096 0.000 1.130 87 S HN 0.741 nan 8.310 nan 0.000 0.470 88 V N 2.659 122.529 119.914 -0.072 0.000 2.455 88 V HA 0.216 4.337 4.120 0.002 0.000 0.273 88 V C 0.479 176.581 176.094 0.015 0.000 1.045 88 V CA 0.088 62.369 62.300 -0.031 0.000 0.976 88 V CB 0.288 32.081 31.823 -0.049 0.000 0.993 88 V HN 0.946 nan 8.190 nan 0.000 0.475 89 F N 6.225 126.129 119.950 -0.077 0.000 2.335 89 F HA 0.233 4.761 4.527 0.002 0.000 0.296 89 F C 0.540 176.313 175.800 -0.046 0.000 1.091 89 F CA 0.667 58.634 58.000 -0.055 0.000 1.399 89 F CB 0.544 39.518 39.000 -0.043 0.000 1.067 89 F HN 0.378 nan 8.300 nan 0.000 0.520 90 L N -0.281 120.961 121.223 0.031 0.000 2.787 90 L HA 0.410 4.751 4.340 0.002 0.000 0.260 90 L C -1.126 175.713 176.870 -0.051 0.000 0.921 90 L CA -0.934 53.874 54.840 -0.052 0.000 0.984 90 L CB 0.442 42.499 42.059 -0.003 0.000 1.519 90 L HN -0.242 nan 8.230 nan 0.000 0.452 91 E N 2.399 122.544 120.200 -0.092 0.000 2.418 91 E HA 0.160 4.511 4.350 0.002 0.000 0.261 91 E C 1.444 177.997 176.600 -0.078 0.000 1.070 91 E CA 0.741 57.090 56.400 -0.084 0.000 0.931 91 E CB 0.849 30.491 29.700 -0.097 0.000 0.954 91 E HN 0.743 nan 8.360 nan 0.000 0.439 92 N N 1.047 119.722 118.700 -0.043 0.000 2.120 92 N HA -0.214 4.527 4.740 0.002 0.000 0.188 92 N C 1.350 176.856 175.510 -0.006 0.000 1.024 92 N CA 1.443 54.493 53.050 -0.001 0.000 0.852 92 N CB -0.321 38.167 38.487 0.003 0.000 1.003 92 N HN 0.400 nan 8.380 nan 0.000 0.424 93 S N 0.765 116.437 115.700 -0.047 0.000 2.419 93 S HA -0.131 4.340 4.470 0.002 0.000 0.235 93 S C 1.861 176.379 174.600 -0.138 0.000 1.019 93 S CA 1.532 59.695 58.200 -0.060 0.000 0.982 93 S CB -1.156 62.008 63.200 -0.061 0.000 0.789 93 S HN 0.323 nan 8.310 nan 0.000 0.490 94 T N 1.533 115.928 114.554 -0.265 0.000 2.736 94 T HA -0.173 4.178 4.350 0.002 0.000 0.265 94 T C 0.407 174.620 174.700 -0.813 0.000 1.031 94 T CA 1.764 63.503 62.100 -0.601 0.000 1.155 94 T CB -0.572 67.747 68.868 -0.913 0.000 0.849 94 T HN 0.609 nan 8.240 nan 0.000 0.471 95 F N 0.640 120.539 119.950 -0.085 0.000 2.881 95 F HA 0.353 4.881 4.527 0.002 0.000 0.343 95 F C 1.055 176.866 175.800 0.017 0.000 1.233 95 F CA -1.294 56.672 58.000 -0.058 0.000 1.262 95 F CB 0.151 39.059 39.000 -0.153 0.000 0.980 95 F HN -0.070 nan 8.300 nan 0.000 0.506 96 D N 1.079 121.532 120.400 0.089 0.000 2.104 96 D HA -0.176 4.465 4.640 0.002 0.000 0.194 96 D C 1.390 177.741 176.300 0.084 0.000 0.994 96 D CA 1.502 55.545 54.000 0.071 0.000 0.830 96 D CB 0.024 40.836 40.800 0.020 0.000 0.959 96 D HN 0.540 nan 8.370 nan 0.000 0.452 97 E N -0.175 120.078 120.200 0.089 0.000 2.511 97 E HA 0.042 4.393 4.350 0.002 0.000 0.214 97 E C 0.820 177.481 176.600 0.102 0.000 1.062 97 E CA -0.425 56.012 56.400 0.061 0.000 1.213 97 E CB -0.348 29.366 29.700 0.024 0.000 1.214 97 E HN 0.076 nan 8.360 nan 0.000 0.441 98 F N 2.216 122.173 119.950 0.013 0.000 2.293 98 F HA 0.106 4.634 4.527 0.002 0.000 0.300 98 F C 1.678 177.393 175.800 -0.141 0.000 1.086 98 F CA 1.749 59.743 58.000 -0.010 0.000 1.375 98 F CB -0.024 38.968 39.000 -0.014 0.000 1.045 98 F HN 0.358 nan 8.300 nan 0.000 0.516 99 G N -0.463 108.186 108.800 -0.251 0.000 2.159 99 G HA2 -0.244 3.717 3.960 0.002 0.000 0.256 99 G HA3 -0.244 3.717 3.960 0.002 0.000 0.256 99 G C 0.049 174.490 174.900 -0.765 0.000 0.977 99 G CA 0.375 45.175 45.100 -0.500 0.000 0.652 99 G HN 0.579 nan 8.290 nan 0.000 0.531 100 H N -0.700 118.195 119.070 -0.291 0.000 3.012 100 H HA 0.582 5.139 4.556 0.002 0.000 0.367 100 H C -0.650 174.705 175.328 0.044 0.000 1.211 100 H CA -0.052 55.879 56.048 -0.195 0.000 1.139 100 H CB 1.581 30.996 29.762 -0.578 0.000 1.838 100 H HN 0.161 nan 8.280 nan 0.000 0.550 101 S N 2.108 117.917 115.700 0.182 0.000 2.474 101 S HA 0.328 4.799 4.470 0.002 0.000 0.276 101 S C 0.160 174.814 174.600 0.090 0.000 1.227 101 S CA -0.660 57.607 58.200 0.110 0.000 1.050 101 S CB -0.515 62.731 63.200 0.077 0.000 0.939 101 S HN 0.358 nan 8.310 nan 0.000 0.490 102 I N 6.283 126.836 120.570 -0.028 0.000 2.312 102 I HA 0.217 4.387 4.170 0.002 0.000 0.291 102 I C 1.427 177.423 176.117 -0.202 0.000 1.031 102 I CA -0.446 60.734 61.300 -0.200 0.000 1.293 102 I CB 0.816 38.476 38.000 -0.567 0.000 1.403 102 I HN 0.741 nan 8.210 nan 0.000 0.484 103 N N 4.015 122.618 118.700 -0.162 0.000 2.353 103 N HA 0.037 4.778 4.740 0.002 0.000 0.185 103 N C -0.254 175.161 175.510 -0.159 0.000 1.098 103 N CA 0.202 53.158 53.050 -0.156 0.000 0.872 103 N CB 0.665 39.038 38.487 -0.191 0.000 0.970 103 N HN 0.539 nan 8.380 nan 0.000 0.467 104 D N -0.961 119.309 120.400 -0.217 0.000 2.706 104 D HA 0.328 4.969 4.640 0.002 0.000 0.227 104 D C -1.732 174.477 176.300 -0.150 0.000 1.233 104 D CA -0.442 53.508 54.000 -0.084 0.000 0.768 104 D CB 1.057 41.850 40.800 -0.011 0.000 1.490 104 D HN -0.090 nan 8.370 nan 0.000 0.458 105 Y N 0.019 120.330 120.300 0.018 0.000 2.598 105 Y HA 0.713 5.264 4.550 0.002 0.000 0.340 105 Y C 0.183 176.159 175.900 0.127 0.000 1.038 105 Y CA -0.983 57.150 58.100 0.053 0.000 1.100 105 Y CB 2.323 40.804 38.460 0.036 0.000 1.281 105 Y HN 0.162 nan 8.280 nan 0.000 0.488 106 S N 1.569 117.497 115.700 0.381 0.000 2.614 106 S HA 0.526 4.997 4.470 0.002 0.000 0.259 106 S C -1.477 173.402 174.600 0.464 0.000 1.118 106 S CA -0.469 57.963 58.200 0.386 0.000 1.065 106 S CB -0.088 63.349 63.200 0.395 0.000 1.121 106 S HN 0.563 nan 8.310 nan 0.000 0.458 107 I N 4.602 125.317 120.570 0.242 0.000 2.342 107 I HA 0.260 4.431 4.170 0.002 0.000 0.291 107 I C 0.967 176.928 176.117 -0.260 0.000 1.010 107 I CA -0.417 60.929 61.300 0.077 0.000 1.308 107 I CB 1.595 39.612 38.000 0.029 0.000 1.400 107 I HN 0.752 nan 8.210 nan 0.000 0.488 108 S N 7.814 123.042 115.700 -0.787 0.000 2.558 108 S HA 0.086 4.557 4.470 0.002 0.000 0.288 108 S C -1.357 172.956 174.600 -0.479 0.000 1.318 108 S CA -0.957 56.443 58.200 -1.333 0.000 1.056 108 S CB 0.337 62.635 63.200 -1.503 0.000 0.853 108 S HN 0.531 nan 8.310 nan 0.000 0.505 109 P HA -0.123 nan 4.420 nan 0.000 0.224 109 P C 0.595 177.842 177.300 -0.089 0.000 1.142 109 P CA 0.987 64.017 63.100 -0.116 0.000 0.778 109 P CB 0.036 31.697 31.700 -0.065 0.000 0.764 110 D N -0.403 119.918 120.400 -0.132 0.000 2.144 110 D HA -0.037 4.604 4.640 0.002 0.000 0.200 110 D C 1.919 178.212 176.300 -0.012 0.000 0.978 110 D CA 1.826 55.796 54.000 -0.050 0.000 0.833 110 D CB -0.558 40.258 40.800 0.027 0.000 0.961 110 D HN 0.221 nan 8.370 nan 0.000 0.470 111 G N 0.126 108.916 108.800 -0.016 0.000 2.199 111 G HA2 -0.370 3.591 3.960 0.002 0.000 0.254 111 G HA3 -0.370 3.591 3.960 0.002 0.000 0.254 111 G C 1.132 176.068 174.900 0.059 0.000 0.982 111 G CA 0.647 45.816 45.100 0.114 0.000 0.632 111 G HN 0.406 nan 8.290 nan 0.000 0.529 112 Q N -1.172 118.582 119.800 -0.076 0.000 2.137 112 Q HA 0.311 4.652 4.340 0.002 0.000 0.198 112 Q C 0.407 176.042 176.000 -0.608 0.000 0.960 112 Q CA 0.826 56.427 55.803 -0.337 0.000 0.847 112 Q CB 0.183 28.720 28.738 -0.334 0.000 0.915 112 Q HN 0.564 nan 8.270 nan 0.000 0.448 113 F N -0.653 119.258 119.950 -0.064 0.000 2.593 113 F HA 0.511 5.038 4.527 0.002 0.000 0.320 113 F C -0.372 175.510 175.800 0.137 0.000 1.060 113 F CA -1.057 56.962 58.000 0.033 0.000 0.940 113 F CB 1.544 40.582 39.000 0.064 0.000 1.268 113 F HN -0.228 nan 8.300 nan 0.000 0.475 114 I N 2.996 123.900 120.570 0.557 0.000 2.447 114 I HA 0.282 4.453 4.170 0.002 0.000 0.287 114 I C -1.413 175.041 176.117 0.561 0.000 1.023 114 I CA -0.876 60.744 61.300 0.533 0.000 1.083 114 I CB 1.989 40.303 38.000 0.523 0.000 1.245 114 I HN 0.271 nan 8.210 nan 0.000 0.434 115 L N 7.902 129.476 121.223 0.586 0.000 2.265 115 L HA 0.449 4.790 4.340 0.002 0.000 0.288 115 L C -0.759 176.248 176.870 0.229 0.000 1.058 115 L CA 0.048 55.123 54.840 0.392 0.000 0.809 115 L CB 0.663 42.906 42.059 0.306 0.000 1.179 115 L HN 0.423 nan 8.230 nan 0.000 0.429 116 L N 5.292 126.570 121.223 0.092 0.000 2.272 116 L HA 0.476 4.817 4.340 0.002 0.000 0.289 116 L C 0.038 176.882 176.870 -0.044 0.000 1.032 116 L CA -0.371 54.371 54.840 -0.163 0.000 0.810 116 L CB 1.370 43.108 42.059 -0.534 0.000 1.205 116 L HN 0.615 nan 8.230 nan 0.000 0.422 117 E N 4.371 124.484 120.200 -0.146 0.000 2.156 117 E HA 0.449 4.800 4.350 0.002 0.000 0.279 117 E C -1.618 174.879 176.600 -0.171 0.000 0.965 117 E CA -0.509 55.696 56.400 -0.325 0.000 0.789 117 E CB 1.147 30.736 29.700 -0.185 0.000 1.098 117 E HN 0.456 nan 8.360 nan 0.000 0.397 118 Y N 1.654 121.734 120.300 -0.366 0.000 2.689 118 Y HA 0.447 4.998 4.550 0.002 0.000 0.333 118 Y C -0.300 175.483 175.900 -0.194 0.000 1.190 118 Y CA -1.575 56.403 58.100 -0.203 0.000 1.063 118 Y CB 0.530 38.935 38.460 -0.091 0.000 1.294 118 Y HN 0.543 nan 8.280 nan 0.000 0.466 119 N N -0.568 118.105 118.700 -0.045 0.000 2.754 119 N HA -0.284 4.457 4.740 0.002 0.000 0.248 119 N C -1.044 174.413 175.510 -0.088 0.000 1.093 119 N CA 0.879 53.864 53.050 -0.108 0.000 0.699 119 N CB -1.786 36.521 38.487 -0.300 0.000 1.016 119 N HN 0.875 nan 8.380 nan 0.000 0.552 120 Y N 0.210 120.425 120.300 -0.141 0.000 2.620 120 Y HA 0.280 4.831 4.550 0.002 0.000 0.330 120 Y C 0.100 175.958 175.900 -0.070 0.000 1.186 120 Y CA 0.163 58.190 58.100 -0.123 0.000 1.467 120 Y CB 0.693 39.041 38.460 -0.188 0.000 1.262 120 Y HN -0.012 nan 8.280 nan 0.000 0.550 121 V N 8.112 127.610 119.914 -0.693 0.000 2.445 121 V HA 0.168 4.288 4.120 0.002 0.000 0.283 121 V C -0.339 175.333 176.094 -0.703 0.000 1.014 121 V CA -1.361 60.618 62.300 -0.534 0.000 0.852 121 V CB 1.181 32.852 31.823 -0.253 0.000 1.021 121 V HN 0.775 nan 8.190 nan 0.000 0.435 122 K N 3.632 123.574 120.400 -0.764 0.000 2.414 122 K HA 0.196 4.517 4.320 0.002 0.000 0.272 122 K C 0.440 176.874 176.600 -0.276 0.000 0.993 122 K CA 0.342 56.387 56.287 -0.403 0.000 0.964 122 K CB 1.248 33.723 32.500 -0.041 0.000 0.925 122 K HN 0.788 nan 8.250 nan 0.000 0.487 123 Q N 2.917 122.549 119.800 -0.281 0.000 2.729 123 Q HA 0.189 4.530 4.340 0.002 0.000 0.228 123 Q C -0.110 175.649 176.000 -0.402 0.000 1.021 123 Q CA -0.447 54.996 55.803 -0.599 0.000 0.561 123 Q CB 0.111 28.332 28.738 -0.861 0.000 3.921 123 Q HN 0.727 nan 8.270 nan 0.000 0.430 124 W N 0.309 121.620 121.300 0.018 0.000 1.833 124 W HA 0.306 4.967 4.660 0.001 0.000 0.593 124 W C 1.775 178.296 176.519 0.003 0.000 1.936 124 W CA -0.432 56.953 57.345 0.066 0.000 2.192 124 W CB -0.095 29.381 29.460 0.026 0.000 2.633 124 W HN 0.385 nan 8.180 nan 0.000 0.783 125 R N -0.581 120.036 120.500 0.194 0.000 2.096 125 R HA -0.166 4.175 4.340 0.002 0.000 0.235 125 R C 1.613 177.765 176.300 -0.247 0.000 1.127 125 R CA 2.064 58.101 56.100 -0.104 0.000 0.968 125 R CB -0.469 29.639 30.300 -0.320 0.000 0.861 125 R HN 0.482 nan 8.270 nan 0.000 0.440 126 H N -1.018 118.141 119.070 0.148 0.000 2.657 126 H HA 0.209 4.766 4.556 0.002 0.000 0.262 126 H C 0.504 175.948 175.328 0.192 0.000 0.965 126 H CA 0.556 56.714 56.048 0.183 0.000 1.184 126 H CB -0.017 29.828 29.762 0.139 0.000 1.443 126 H HN 0.240 nan 8.280 nan 0.000 0.462 127 S N 1.375 117.092 115.700 0.029 0.000 2.579 127 S HA 0.307 4.778 4.470 0.002 0.000 0.275 127 S C -0.222 174.255 174.600 -0.205 0.000 1.345 127 S CA -0.305 57.574 58.200 -0.534 0.000 1.031 127 S CB 0.464 62.833 63.200 -1.386 0.000 0.892 127 S HN 0.475 nan 8.310 nan 0.000 0.529 128 Y N -2.472 117.654 120.300 -0.290 0.000 2.765 128 Y HA 0.586 5.137 4.550 0.002 0.000 0.350 128 Y C -0.914 174.963 175.900 -0.039 0.000 1.196 128 Y CA -0.814 57.150 58.100 -0.227 0.000 1.119 128 Y CB 0.374 38.697 38.460 -0.228 0.000 1.368 128 Y HN 0.932 nan 8.280 nan 0.000 0.463 129 T N 0.141 114.744 114.554 0.080 0.000 2.932 129 T HA 1.029 5.380 4.350 0.002 0.000 0.289 129 T C -0.472 174.302 174.700 0.124 0.000 1.039 129 T CA -0.112 62.044 62.100 0.095 0.000 1.024 129 T CB 1.788 70.664 68.868 0.013 0.000 1.090 129 T HN 1.945 nan 8.240 nan 0.000 0.496 130 A N 1.018 123.889 122.820 0.085 0.000 2.564 130 A HA 0.780 5.101 4.320 0.002 0.000 0.291 130 A C -0.645 176.720 177.584 -0.365 0.000 1.102 130 A CA -0.999 50.941 52.037 -0.163 0.000 0.660 130 A CB 1.032 19.913 19.000 -0.197 0.000 1.283 130 A HN 0.860 nan 8.150 nan 0.000 0.430 131 S N -0.569 114.666 115.700 -0.774 0.000 2.565 131 S HA 0.784 5.255 4.470 0.002 0.000 0.290 131 S C -1.497 172.441 174.600 -1.103 0.000 1.150 131 S CA -0.056 57.618 58.200 -0.876 0.000 1.058 131 S CB 0.633 63.068 63.200 -1.274 0.000 1.032 131 S HN 0.437 nan 8.310 nan 0.000 0.510 132 Y N 0.283 120.359 120.300 -0.374 0.000 2.477 132 Y HA 0.503 5.054 4.550 0.002 0.000 0.347 132 Y C -0.283 175.638 175.900 0.034 0.000 0.981 132 Y CA -0.928 57.084 58.100 -0.146 0.000 1.033 132 Y CB 1.755 40.080 38.460 -0.226 0.000 1.245 132 Y HN 0.489 nan 8.280 nan 0.000 0.455 133 D N 2.423 123.003 120.400 0.300 0.000 2.738 133 D HA 0.514 5.155 4.640 0.002 0.000 0.237 133 D C -0.936 175.481 176.300 0.195 0.000 1.123 133 D CA -0.324 53.833 54.000 0.261 0.000 0.856 133 D CB 2.674 43.715 40.800 0.400 0.000 1.552 133 D HN 0.399 nan 8.370 nan 0.000 0.480 134 I N 1.818 122.502 120.570 0.191 0.000 2.377 134 I HA 0.248 4.419 4.170 0.002 0.000 0.293 134 I C -0.851 175.488 176.117 0.371 0.000 0.987 134 I CA -0.939 60.515 61.300 0.258 0.000 1.185 134 I CB 1.339 39.432 38.000 0.155 0.000 1.341 134 I HN 0.232 nan 8.210 nan 0.000 0.455 135 Y N 5.401 125.891 120.300 0.317 0.000 2.328 135 Y HA 0.284 4.835 4.550 0.002 0.000 0.337 135 Y C -0.226 175.890 175.900 0.360 0.000 0.966 135 Y CA -0.859 57.435 58.100 0.323 0.000 1.136 135 Y CB 1.072 39.753 38.460 0.369 0.000 1.170 135 Y HN 0.473 nan 8.280 nan 0.000 0.470 136 D N 6.402 126.700 120.400 -0.171 0.000 2.336 136 D HA 0.087 4.728 4.640 0.002 0.000 0.249 136 D C 0.699 176.674 176.300 -0.542 0.000 1.213 136 D CA 0.313 54.173 54.000 -0.232 0.000 0.870 136 D CB 0.914 41.647 40.800 -0.112 0.000 1.076 136 D HN 0.866 nan 8.370 nan 0.000 0.483 137 L N 3.542 124.522 121.223 -0.405 0.000 2.376 137 L HA -0.085 4.256 4.340 0.002 0.000 0.219 137 L C 1.901 178.591 176.870 -0.301 0.000 1.133 137 L CA 0.194 54.870 54.840 -0.274 0.000 0.816 137 L CB -0.192 41.761 42.059 -0.178 0.000 0.933 137 L HN 0.347 nan 8.230 nan 0.000 0.449 138 N N 1.537 120.020 118.700 -0.362 0.000 2.085 138 N HA -0.138 4.603 4.740 0.002 0.000 0.191 138 N C 1.494 176.881 175.510 -0.205 0.000 1.058 138 N CA 1.316 54.208 53.050 -0.264 0.000 0.849 138 N CB -0.262 38.065 38.487 -0.268 0.000 1.038 138 N HN 0.407 nan 8.380 nan 0.000 0.434 139 K N 1.418 121.697 120.400 -0.201 0.000 2.505 139 K HA 0.179 4.500 4.320 0.002 0.000 0.192 139 K C -0.259 176.233 176.600 -0.179 0.000 1.025 139 K CA -0.030 56.168 56.287 -0.149 0.000 1.086 139 K CB 0.047 32.485 32.500 -0.104 0.000 0.840 139 K HN 0.080 nan 8.250 nan 0.000 0.514 140 R N 0.448 120.781 120.500 -0.279 0.000 3.405 140 R HA -0.213 4.128 4.340 0.002 0.000 0.258 140 R C -0.759 175.348 176.300 -0.321 0.000 1.030 140 R CA 0.697 56.603 56.100 -0.324 0.000 0.691 140 R CB -2.072 28.172 30.300 -0.093 0.000 1.093 140 R HN 0.440 nan 8.270 nan 0.000 0.448 141 Q N 0.240 119.793 119.800 -0.411 0.000 2.377 141 Q HA 0.563 4.904 4.340 0.002 0.000 0.271 141 Q C -0.732 175.186 176.000 -0.137 0.000 1.077 141 Q CA -0.741 54.964 55.803 -0.162 0.000 0.820 141 Q CB 1.760 30.457 28.738 -0.068 0.000 1.347 141 Q HN 0.302 nan 8.270 nan 0.000 0.444 142 L N 3.819 125.133 121.223 0.153 0.000 2.281 142 L HA 0.391 4.732 4.340 0.002 0.000 0.285 142 L C -0.445 176.530 176.870 0.176 0.000 1.074 142 L CA -0.417 54.603 54.840 0.301 0.000 0.817 142 L CB 0.558 42.861 42.059 0.406 0.000 1.168 142 L HN 0.651 nan 8.230 nan 0.000 0.434 143 I N 3.626 124.296 120.570 0.166 0.000 2.587 143 I HA -0.048 4.123 4.170 0.002 0.000 0.284 143 I C 1.276 177.450 176.117 0.095 0.000 1.134 143 I CA 0.323 61.687 61.300 0.107 0.000 1.410 143 I CB 1.060 39.114 38.000 0.090 0.000 1.392 143 I HN 0.685 nan 8.210 nan 0.000 0.545 144 T N 1.141 115.733 114.554 0.063 0.000 3.010 144 T HA 0.133 4.484 4.350 0.002 0.000 0.257 144 T C 0.406 175.112 174.700 0.011 0.000 1.020 144 T CA -0.452 61.675 62.100 0.046 0.000 0.938 144 T CB 0.046 68.941 68.868 0.045 0.000 1.049 144 T HN 0.590 nan 8.240 nan 0.000 0.522 145 E N 1.703 121.903 120.200 0.001 0.000 2.214 145 E HA 0.273 4.624 4.350 0.002 0.000 0.274 145 E C -0.579 175.994 176.600 -0.045 0.000 0.977 145 E CA -0.685 55.703 56.400 -0.021 0.000 0.827 145 E CB 0.837 30.527 29.700 -0.017 0.000 1.130 145 E HN 0.087 nan 8.360 nan 0.000 0.394 146 E N 0.589 120.750 120.200 -0.064 0.000 2.228 146 E HA -0.251 4.100 4.350 0.002 0.000 0.213 146 E C -0.102 176.428 176.600 -0.117 0.000 1.282 146 E CA 0.888 57.232 56.400 -0.092 0.000 0.707 146 E CB -1.615 28.037 29.700 -0.081 0.000 1.150 146 E HN 0.705 nan 8.360 nan 0.000 0.362 147 R N -0.585 119.841 120.500 -0.124 0.000 2.615 147 R HA 0.526 4.867 4.340 0.002 0.000 0.270 147 R C 0.830 176.968 176.300 -0.271 0.000 1.081 147 R CA -0.697 55.315 56.100 -0.148 0.000 1.154 147 R CB 0.636 30.885 30.300 -0.085 0.000 1.063 147 R HN 0.044 nan 8.270 nan 0.000 0.519 148 I N 2.724 123.085 120.570 -0.349 0.000 2.710 148 I HA 0.054 4.225 4.170 0.002 0.000 0.286 148 I C -1.582 174.222 176.117 -0.522 0.000 1.181 148 I CA -1.756 59.166 61.300 -0.629 0.000 1.430 148 I CB 0.379 37.982 38.000 -0.662 0.000 1.367 148 I HN 0.549 nan 8.210 nan 0.000 0.577 149 P HA 0.068 nan 4.420 nan 0.000 0.270 149 P C -0.856 176.234 177.300 -0.349 0.000 1.223 149 P CA -0.297 62.416 63.100 -0.645 0.000 0.785 149 P CB 0.407 31.296 31.700 -1.351 0.000 0.923 150 N N 1.873 120.455 118.700 -0.196 0.000 2.399 150 N HA 0.037 4.778 4.740 0.002 0.000 0.250 150 N C 0.644 176.217 175.510 0.106 0.000 1.272 150 N CA 0.072 53.071 53.050 -0.085 0.000 0.928 150 N CB -0.376 38.066 38.487 -0.074 0.000 1.158 150 N HN 0.423 nan 8.380 nan 0.000 0.463 151 N N -1.308 117.435 118.700 0.072 0.000 2.776 151 N HA -0.154 4.587 4.740 0.002 0.000 0.250 151 N C -0.825 174.842 175.510 0.262 0.000 1.112 151 N CA 0.728 53.860 53.050 0.137 0.000 0.733 151 N CB -1.745 36.835 38.487 0.155 0.000 1.097 151 N HN 0.477 nan 8.380 nan 0.000 0.558 152 T N 0.913 115.623 114.554 0.260 0.000 2.901 152 T HA 0.104 4.455 4.350 0.002 0.000 0.301 152 T C 1.726 176.575 174.700 0.249 0.000 1.012 152 T CA 0.099 62.380 62.100 0.303 0.000 1.135 152 T CB 1.129 70.082 68.868 0.143 0.000 0.936 152 T HN 0.164 nan 8.240 nan 0.000 0.539 153 Q N 1.806 121.749 119.800 0.237 0.000 2.269 153 Q HA 0.140 4.480 4.340 0.002 0.000 0.201 153 Q C 0.195 176.360 176.000 0.274 0.000 0.946 153 Q CA 0.474 56.432 55.803 0.258 0.000 0.877 153 Q CB 0.710 29.566 28.738 0.197 0.000 0.963 153 Q HN 0.702 nan 8.270 nan 0.000 0.472 154 W N -0.284 120.976 121.300 -0.066 0.000 3.419 154 W HA 0.444 5.105 4.660 0.002 0.000 0.298 154 W C -2.353 174.071 176.519 -0.159 0.000 1.260 154 W CA -0.599 56.659 57.345 -0.145 0.000 1.199 154 W CB 1.175 30.489 29.460 -0.242 0.000 1.349 154 W HN -0.357 nan 8.180 nan 0.000 0.557 155 V N 3.221 122.434 119.914 -1.168 0.000 2.888 155 V HA 0.681 4.802 4.120 0.002 0.000 0.309 155 V C -0.528 174.919 176.094 -1.078 0.000 1.114 155 V CA -0.611 61.125 62.300 -0.939 0.000 0.940 155 V CB 1.778 32.954 31.823 -1.078 0.000 1.021 155 V HN 0.505 nan 8.190 nan 0.000 0.426 156 T N 2.742 116.984 114.554 -0.520 0.000 3.041 156 T HA 0.530 4.881 4.350 0.002 0.000 0.321 156 T C -1.489 173.232 174.700 0.034 0.000 1.184 156 T CA -0.297 61.690 62.100 -0.189 0.000 1.050 156 T CB 0.815 69.805 68.868 0.203 0.000 1.159 156 T HN 0.512 nan 8.240 nan 0.000 0.469 157 W N 3.053 124.383 121.300 0.050 0.000 2.129 157 W HA 0.482 5.142 4.660 0.002 0.000 0.349 157 W C 1.290 177.655 176.519 -0.256 0.000 1.279 157 W CA -0.518 56.806 57.345 -0.035 0.000 1.306 157 W CB 0.613 30.057 29.460 -0.027 0.000 1.140 157 W HN 0.798 nan 8.180 nan 0.000 0.613 158 S N 0.845 116.310 115.700 -0.392 0.000 2.608 158 S HA 0.181 4.652 4.470 0.002 0.000 0.261 158 S C -1.872 172.465 174.600 -0.438 0.000 1.314 158 S CA -0.946 56.505 58.200 -1.249 0.000 0.992 158 S CB 0.760 63.136 63.200 -1.373 0.000 0.935 158 S HN 0.261 nan 8.310 nan 0.000 0.564 159 P HA -0.054 nan 4.420 nan 0.000 0.218 159 P C 1.373 178.624 177.300 -0.081 0.000 1.149 159 P CA 1.186 64.236 63.100 -0.083 0.000 0.817 159 P CB -0.110 31.577 31.700 -0.022 0.000 0.785 160 V N -5.001 114.824 119.914 -0.147 0.000 3.097 160 V HA 0.432 4.553 4.120 0.002 0.000 0.223 160 V C 1.788 177.792 176.094 -0.149 0.000 1.199 160 V CA 0.840 63.071 62.300 -0.115 0.000 1.260 160 V CB -1.449 30.316 31.823 -0.097 0.000 1.155 160 V HN 0.039 nan 8.190 nan 0.000 0.509 161 G N 1.731 110.405 108.800 -0.210 0.000 2.611 161 G HA2 0.012 3.973 3.960 0.002 0.000 0.147 161 G HA3 0.012 3.973 3.960 0.002 0.000 0.147 161 G C 0.793 175.566 174.900 -0.212 0.000 1.798 161 G CA 1.046 45.971 45.100 -0.291 0.000 0.973 161 G HN 1.094 nan 8.290 nan 0.000 0.416 162 H N -1.577 117.497 119.070 0.007 0.000 3.043 162 H HA 0.377 4.934 4.556 0.002 0.000 0.244 162 H C -0.175 175.341 175.328 0.312 0.000 1.199 162 H CA -0.558 55.555 56.048 0.108 0.000 0.956 162 H CB -0.089 29.756 29.762 0.139 0.000 2.305 162 H HN 0.178 nan 8.280 nan 0.000 0.665 163 K N 1.761 122.314 120.400 0.254 0.000 2.319 163 K HA 0.381 4.702 4.320 0.002 0.000 0.265 163 K C -0.444 176.283 176.600 0.211 0.000 1.000 163 K CA -0.138 56.250 56.287 0.167 0.000 0.943 163 K CB 1.545 33.977 32.500 -0.115 0.000 0.950 163 K HN 0.148 nan 8.250 nan 0.000 0.485 164 L N 0.919 122.256 121.223 0.191 0.000 2.381 164 L HA 0.574 4.915 4.340 0.002 0.000 0.268 164 L C -0.997 176.044 176.870 0.286 0.000 0.997 164 L CA -0.838 54.050 54.840 0.080 0.000 0.818 164 L CB 2.147 44.094 42.059 -0.187 0.000 1.310 164 L HN 0.717 nan 8.230 nan 0.000 0.416 165 A N 2.692 125.673 122.820 0.269 0.000 2.359 165 A HA 0.780 5.101 4.320 0.002 0.000 0.303 165 A C -1.604 176.009 177.584 0.049 0.000 1.066 165 A CA -0.372 51.743 52.037 0.130 0.000 0.730 165 A CB 1.101 20.136 19.000 0.059 0.000 1.211 165 A HN 0.639 nan 8.150 nan 0.000 0.439 166 Y N -0.293 119.963 120.300 -0.074 0.000 2.615 166 Y HA 0.801 5.352 4.550 0.002 0.000 0.341 166 Y C -1.183 174.729 175.900 0.019 0.000 1.089 166 Y CA -1.650 56.386 58.100 -0.106 0.000 1.049 166 Y CB 1.223 39.552 38.460 -0.218 0.000 1.296 166 Y HN 0.384 nan 8.280 nan 0.000 0.470 167 V N 1.952 122.006 119.914 0.233 0.000 2.448 167 V HA 0.362 4.482 4.120 0.002 0.000 0.295 167 V C -1.480 174.829 176.094 0.359 0.000 1.025 167 V CA -0.641 61.764 62.300 0.176 0.000 0.859 167 V CB 1.297 33.131 31.823 0.018 0.000 0.988 167 V HN 0.876 nan 8.190 nan 0.000 0.431 168 W N 5.004 126.407 121.300 0.171 0.000 3.042 168 W HA 0.474 5.135 4.660 0.002 0.000 0.337 168 W C 0.308 176.881 176.519 0.089 0.000 1.086 168 W CA -0.693 56.723 57.345 0.118 0.000 1.236 168 W CB 1.249 30.751 29.460 0.070 0.000 1.381 168 W HN 0.789 nan 8.180 nan 0.000 0.472 169 N N 5.576 123.895 118.700 -0.635 0.000 2.735 169 N HA -0.346 4.395 4.740 0.002 0.000 0.248 169 N C 0.124 175.452 175.510 -0.303 0.000 1.083 169 N CA 1.048 53.715 53.050 -0.638 0.000 0.703 169 N CB -1.120 36.741 38.487 -1.043 0.000 1.005 169 N HN 0.871 nan 8.380 nan 0.000 0.550 170 N N -1.739 116.851 118.700 -0.183 0.000 2.828 170 N HA -0.165 4.576 4.740 0.002 0.000 0.248 170 N C -1.260 174.159 175.510 -0.151 0.000 1.044 170 N CA 1.093 54.054 53.050 -0.149 0.000 0.851 170 N CB -0.379 37.977 38.487 -0.218 0.000 1.136 170 N HN 0.432 nan 8.380 nan 0.000 0.572 171 D N 0.470 120.794 120.400 -0.127 0.000 2.350 171 D HA 0.511 5.152 4.640 0.002 0.000 0.238 171 D C 0.214 176.325 176.300 -0.315 0.000 0.989 171 D CA -0.358 53.480 54.000 -0.270 0.000 0.921 171 D CB 1.664 42.254 40.800 -0.350 0.000 1.297 171 D HN 0.017 nan 8.370 nan 0.000 0.490 172 I N 1.341 121.546 120.570 -0.608 0.000 2.428 172 I HA 0.271 4.442 4.170 0.002 0.000 0.296 172 I C -0.810 174.775 176.117 -0.885 0.000 0.985 172 I CA -0.559 60.368 61.300 -0.621 0.000 1.260 172 I CB 0.697 38.258 38.000 -0.731 0.000 1.389 172 I HN 0.157 nan 8.210 nan 0.000 0.484 173 Y N 4.013 123.914 120.300 -0.666 0.000 2.442 173 Y HA 0.549 5.100 4.550 0.002 0.000 0.344 173 Y C -0.328 175.222 175.900 -0.584 0.000 0.976 173 Y CA -0.860 56.802 58.100 -0.731 0.000 1.040 173 Y CB 2.063 39.789 38.460 -1.223 0.000 1.228 173 Y HN 0.125 nan 8.280 nan 0.000 0.451 174 V N 3.263 123.103 119.914 -0.123 0.000 2.628 174 V HA 0.488 4.609 4.120 0.002 0.000 0.306 174 V C -0.691 175.529 176.094 0.210 0.000 1.045 174 V CA -1.249 61.082 62.300 0.052 0.000 0.905 174 V CB 2.016 33.881 31.823 0.070 0.000 0.997 174 V HN 0.620 nan 8.190 nan 0.000 0.436 175 K N 3.097 123.634 120.400 0.228 0.000 2.535 175 K HA 0.512 4.833 4.320 0.002 0.000 0.253 175 K C 0.293 177.025 176.600 0.221 0.000 0.953 175 K CA -0.539 55.874 56.287 0.210 0.000 0.863 175 K CB 1.551 34.131 32.500 0.134 0.000 1.111 175 K HN 0.548 nan 8.250 nan 0.000 0.431 176 I N 1.743 122.470 120.570 0.263 0.000 2.439 176 I HA -0.130 4.041 4.170 0.002 0.000 0.251 176 I C 0.319 176.558 176.117 0.204 0.000 1.139 176 I CA 1.209 62.645 61.300 0.227 0.000 1.438 176 I CB 0.298 38.436 38.000 0.229 0.000 1.085 176 I HN 0.447 nan 8.210 nan 0.000 0.427 177 E N -0.805 119.467 120.200 0.120 0.000 2.292 177 E HA 0.247 4.598 4.350 0.002 0.000 0.272 177 E C -1.939 174.592 176.600 -0.114 0.000 0.881 177 E CA -1.888 54.508 56.400 -0.007 0.000 0.754 177 E CB 1.446 31.155 29.700 0.015 0.000 1.201 177 E HN -0.238 nan 8.360 nan 0.000 0.425 178 P HA -0.218 nan 4.420 nan 0.000 0.218 178 P C 0.859 178.059 177.300 -0.167 0.000 1.152 178 P CA 1.565 64.476 63.100 -0.315 0.000 0.857 178 P CB 0.300 31.587 31.700 -0.688 0.000 0.787 179 N N -1.787 116.839 118.700 -0.124 0.000 2.280 179 N HA 0.009 4.750 4.740 0.002 0.000 0.192 179 N C 0.200 175.683 175.510 -0.046 0.000 1.109 179 N CA 0.293 53.308 53.050 -0.058 0.000 0.855 179 N CB -0.394 38.081 38.487 -0.021 0.000 0.974 179 N HN 0.083 nan 8.380 nan 0.000 0.482 180 L N 1.393 122.589 121.223 -0.044 0.000 2.421 180 L HA 0.493 4.834 4.340 0.002 0.000 0.263 180 L C -2.016 174.813 176.870 -0.068 0.000 1.122 180 L CA -2.044 52.773 54.840 -0.038 0.000 0.804 180 L CB 0.344 42.400 42.059 -0.004 0.000 1.150 180 L HN -0.086 nan 8.230 nan 0.000 0.457 181 P HA 0.077 nan 4.420 nan 0.000 0.269 181 P C -0.717 176.464 177.300 -0.197 0.000 1.217 181 P CA 0.005 63.017 63.100 -0.146 0.000 0.783 181 P CB 0.509 32.107 31.700 -0.170 0.000 0.898 182 S N 0.609 116.230 115.700 -0.133 0.000 2.617 182 S HA 0.350 4.821 4.470 0.002 0.000 0.269 182 S C -0.718 173.792 174.600 -0.150 0.000 1.292 182 S CA -0.038 58.129 58.200 -0.055 0.000 1.010 182 S CB -0.040 63.211 63.200 0.084 0.000 0.944 182 S HN 0.220 nan 8.310 nan 0.000 0.536 183 Y N 1.388 121.714 120.300 0.044 0.000 2.334 183 Y HA 0.368 4.919 4.550 0.002 0.000 0.336 183 Y C 0.767 176.590 175.900 -0.129 0.000 0.960 183 Y CA -0.534 57.566 58.100 -0.000 0.000 1.164 183 Y CB 0.756 39.214 38.460 -0.005 0.000 1.155 183 Y HN 0.424 nan 8.280 nan 0.000 0.478 184 R N 3.783 124.241 120.500 -0.071 0.000 2.389 184 R HA 0.201 4.542 4.340 0.002 0.000 0.295 184 R C 0.185 176.195 176.300 -0.483 0.000 1.075 184 R CA 0.136 55.867 56.100 -0.617 0.000 1.005 184 R CB 0.588 30.311 30.300 -0.962 0.000 0.987 184 R HN 0.752 nan 8.270 nan 0.000 0.452 185 I N 1.128 121.289 120.570 -0.681 0.000 3.339 185 I HA 0.026 4.197 4.170 0.002 0.000 0.285 185 I C 1.147 176.983 176.117 -0.468 0.000 1.201 185 I CA 0.811 61.848 61.300 -0.438 0.000 1.434 185 I CB -0.055 37.654 38.000 -0.485 0.000 1.152 185 I HN 0.452 nan 8.210 nan 0.000 0.443 186 T N -1.397 112.685 114.554 -0.786 0.000 2.906 186 T HA 0.385 4.736 4.350 0.002 0.000 0.295 186 T C -1.158 173.020 174.700 -0.870 0.000 1.075 186 T CA -0.275 61.469 62.100 -0.592 0.000 1.005 186 T CB 1.321 69.892 68.868 -0.496 0.000 1.136 186 T HN 0.144 nan 8.240 nan 0.000 0.498 187 W N 0.522 121.710 121.300 -0.187 0.000 2.324 187 W HA 0.210 4.871 4.660 0.002 0.000 0.316 187 W C 2.014 178.476 176.519 -0.095 0.000 0.927 187 W CA 0.075 57.347 57.345 -0.122 0.000 1.438 187 W CB -0.290 29.118 29.460 -0.085 0.000 1.085 187 W HN 0.766 nan 8.180 nan 0.000 0.532 188 T N -1.995 112.596 114.554 0.061 0.000 3.113 188 T HA 0.226 4.577 4.350 0.002 0.000 0.256 188 T C 1.324 176.009 174.700 -0.025 0.000 1.131 188 T CA 0.365 62.483 62.100 0.029 0.000 1.074 188 T CB -0.415 68.465 68.868 0.021 0.000 0.944 188 T HN 0.044 nan 8.240 nan 0.000 0.516 189 G N 1.385 110.137 108.800 -0.080 0.000 2.178 189 G HA2 0.281 4.242 3.960 0.002 0.000 0.244 189 G HA3 0.281 4.242 3.960 0.002 0.000 0.244 189 G C -0.508 174.322 174.900 -0.117 0.000 1.213 189 G CA -0.337 44.690 45.100 -0.121 0.000 0.912 189 G HN 0.616 nan 8.290 nan 0.000 0.474 190 K N 2.120 122.427 120.400 -0.154 0.000 2.619 190 K HA 0.188 4.509 4.320 0.002 0.000 0.251 190 K C -0.064 176.405 176.600 -0.217 0.000 0.987 190 K CA -0.664 55.537 56.287 -0.144 0.000 0.844 190 K CB 1.265 33.719 32.500 -0.077 0.000 1.237 190 K HN 0.610 nan 8.250 nan 0.000 0.447 191 E N 3.509 123.589 120.200 -0.199 0.000 2.765 191 E HA -0.181 4.170 4.350 0.002 0.000 0.256 191 E C -0.532 175.978 176.600 -0.151 0.000 0.935 191 E CA 1.173 57.455 56.400 -0.196 0.000 0.954 191 E CB 0.237 29.863 29.700 -0.124 0.000 0.908 191 E HN 0.694 nan 8.360 nan 0.000 0.500 192 D N 2.570 122.870 120.400 -0.168 0.000 3.059 192 D HA -0.242 4.399 4.640 0.002 0.000 0.213 192 D C 0.544 176.899 176.300 0.092 0.000 1.144 192 D CA 1.254 55.291 54.000 0.061 0.000 0.975 192 D CB -0.428 40.434 40.800 0.103 0.000 1.125 192 D HN 0.429 nan 8.370 nan 0.000 0.412 193 I N -0.655 119.872 120.570 -0.071 0.000 3.746 193 I HA 0.209 4.380 4.170 0.002 0.000 0.262 193 I C 0.919 177.099 176.117 0.105 0.000 1.153 193 I CA 0.454 61.792 61.300 0.063 0.000 1.395 193 I CB 0.409 38.423 38.000 0.023 0.000 1.589 193 I HN -0.126 nan 8.210 nan 0.000 0.441 194 I N 1.117 121.645 120.570 -0.070 0.000 2.418 194 I HA 0.241 4.412 4.170 0.002 0.000 0.287 194 I C -1.480 174.586 176.117 -0.086 0.000 1.008 194 I CA -0.614 60.713 61.300 0.045 0.000 1.104 194 I CB 1.840 39.860 38.000 0.034 0.000 1.264 194 I HN -0.040 nan 8.210 nan 0.000 0.438 195 Y N 4.835 125.217 120.300 0.135 0.000 2.328 195 Y HA 0.407 4.958 4.550 0.002 0.000 0.337 195 Y C 0.132 176.069 175.900 0.063 0.000 0.966 195 Y CA -1.060 57.115 58.100 0.126 0.000 1.136 195 Y CB 0.879 39.492 38.460 0.255 0.000 1.170 195 Y HN 0.417 nan 8.280 nan 0.000 0.470 196 N N 2.119 120.859 118.700 0.066 0.000 2.446 196 N HA 0.357 5.098 4.740 0.002 0.000 0.265 196 N C 0.830 176.254 175.510 -0.143 0.000 0.975 196 N CA 0.434 53.450 53.050 -0.057 0.000 0.928 196 N CB 1.868 40.225 38.487 -0.216 0.000 1.160 196 N HN 0.982 nan 8.380 nan 0.000 0.495 197 G N 1.611 110.342 108.800 -0.117 0.000 2.205 197 G HA2 -0.255 3.706 3.960 0.002 0.000 0.261 197 G HA3 -0.255 3.706 3.960 0.002 0.000 0.261 197 G C 0.143 174.868 174.900 -0.291 0.000 0.980 197 G CA 0.713 45.671 45.100 -0.237 0.000 0.632 197 G HN 0.649 nan 8.290 nan 0.000 0.533 198 I N -1.552 118.923 120.570 -0.158 0.000 2.934 198 I HA 0.805 4.976 4.170 0.002 0.000 0.306 198 I C 0.339 176.499 176.117 0.071 0.000 1.110 198 I CA -0.649 60.477 61.300 -0.290 0.000 1.019 198 I CB 1.982 39.619 38.000 -0.605 0.000 1.227 198 I HN 0.165 nan 8.210 nan 0.000 0.434 199 T N -0.448 114.087 114.554 -0.033 0.000 2.899 199 T HA 0.373 4.724 4.350 0.002 0.000 0.284 199 T C -0.205 174.339 174.700 -0.261 0.000 1.004 199 T CA -0.659 61.313 62.100 -0.213 0.000 1.043 199 T CB 1.288 70.090 68.868 -0.110 0.000 1.013 199 T HN 0.757 nan 8.240 nan 0.000 0.518 200 D N 0.102 120.105 120.400 -0.661 0.000 2.478 200 D HA 0.050 4.691 4.640 0.002 0.000 0.269 200 D C 0.961 177.184 176.300 -0.129 0.000 1.232 200 D CA -1.130 52.458 54.000 -0.686 0.000 1.059 200 D CB 0.088 40.419 40.800 -0.782 0.000 1.104 200 D HN 0.700 nan 8.370 nan 0.000 0.566 201 W N 0.155 121.392 121.300 -0.104 0.000 2.317 201 W HA -0.234 4.427 4.660 0.001 0.000 0.318 201 W C 2.166 178.575 176.519 -0.184 0.000 1.227 201 W CA 2.511 59.783 57.345 -0.122 0.000 1.269 201 W CB -0.475 28.841 29.460 -0.240 0.000 1.155 201 W HN 0.190 nan 8.180 nan 0.000 0.484 202 V N -0.166 119.799 119.914 0.084 0.000 2.427 202 V HA -0.289 3.832 4.120 0.002 0.000 0.248 202 V C 1.892 177.791 176.094 -0.325 0.000 1.051 202 V CA 2.027 64.247 62.300 -0.133 0.000 1.048 202 V CB -0.753 31.017 31.823 -0.088 0.000 0.666 202 V HN 0.306 nan 8.190 nan 0.000 0.456 203 Y N 0.659 120.764 120.300 -0.324 0.000 2.242 203 Y HA -0.167 4.384 4.550 0.002 0.000 0.291 203 Y C 2.595 178.383 175.900 -0.187 0.000 1.137 203 Y CA 2.127 60.042 58.100 -0.307 0.000 1.181 203 Y CB -0.073 38.069 38.460 -0.530 0.000 0.989 203 Y HN 0.393 nan 8.280 nan 0.000 0.527 204 E N 0.305 120.460 120.200 -0.074 0.000 2.051 204 E HA -0.288 4.063 4.350 0.002 0.000 0.192 204 E C 1.984 178.543 176.600 -0.067 0.000 0.991 204 E CA 1.578 57.971 56.400 -0.012 0.000 0.799 204 E CB 0.017 29.717 29.700 -0.000 0.000 0.748 204 E HN 0.444 nan 8.360 nan 0.000 0.449 205 E N 0.141 120.112 120.200 -0.382 0.000 2.051 205 E HA -0.139 4.212 4.350 0.002 0.000 0.189 205 E C 1.832 178.300 176.600 -0.220 0.000 0.979 205 E CA 1.346 57.510 56.400 -0.393 0.000 0.803 205 E CB 0.130 29.256 29.700 -0.956 0.000 0.761 205 E HN 0.189 nan 8.360 nan 0.000 0.451 206 E N -0.308 119.729 120.200 -0.270 0.000 2.216 206 E HA -0.003 4.348 4.350 0.002 0.000 0.192 206 E C 1.967 178.440 176.600 -0.212 0.000 0.973 206 E CA 1.039 57.330 56.400 -0.182 0.000 0.851 206 E CB 0.488 30.053 29.700 -0.226 0.000 0.804 206 E HN 0.309 nan 8.360 nan 0.000 0.477 207 V N -1.452 118.279 119.914 -0.305 0.000 3.013 207 V HA 0.111 4.232 4.120 0.002 0.000 0.238 207 V C 1.160 177.040 176.094 -0.357 0.000 1.161 207 V CA 0.416 62.475 62.300 -0.401 0.000 1.170 207 V CB -0.098 31.322 31.823 -0.673 0.000 0.917 207 V HN -0.005 nan 8.190 nan 0.000 0.478 208 F N 1.053 121.015 119.950 0.021 0.000 2.731 208 F HA 0.475 5.003 4.527 0.002 0.000 0.298 208 F C 1.684 177.461 175.800 -0.039 0.000 1.106 208 F CA 0.528 58.560 58.000 0.053 0.000 1.329 208 F CB -0.073 39.005 39.000 0.130 0.000 1.100 208 F HN 0.156 nan 8.300 nan 0.000 0.592 209 S N 0.467 116.205 115.700 0.063 0.000 3.533 209 S HA -0.040 4.431 4.470 0.002 0.000 0.347 209 S C 0.074 174.298 174.600 -0.626 0.000 1.101 209 S CA 0.490 58.612 58.200 -0.129 0.000 1.009 209 S CB -1.453 61.715 63.200 -0.054 0.000 0.916 209 S HN 0.635 nan 8.310 nan 0.000 0.496 210 A N -0.782 121.883 122.820 -0.258 0.000 2.601 210 A HA 0.709 5.030 4.320 0.002 0.000 0.291 210 A C -0.323 177.247 177.584 -0.023 0.000 1.075 210 A CA -0.406 51.483 52.037 -0.247 0.000 0.671 210 A CB 0.297 19.168 19.000 -0.215 0.000 1.277 210 A HN 0.309 nan 8.150 nan 0.000 0.417 211 Y N 1.219 121.371 120.300 -0.248 0.000 2.347 211 Y HA 0.222 4.773 4.550 0.002 0.000 0.294 211 Y C 1.595 177.206 175.900 -0.482 0.000 1.117 211 Y CA 0.990 58.950 58.100 -0.234 0.000 1.184 211 Y CB -0.102 38.268 38.460 -0.151 0.000 1.047 211 Y HN 0.693 nan 8.280 nan 0.000 0.546 212 S N 0.741 115.889 115.700 -0.920 0.000 2.549 212 S HA 0.374 4.845 4.470 0.002 0.000 0.286 212 S C 0.328 174.371 174.600 -0.927 0.000 1.314 212 S CA 0.272 57.666 58.200 -1.343 0.000 1.062 212 S CB 0.313 62.368 63.200 -1.908 0.000 0.865 212 S HN 0.462 nan 8.310 nan 0.000 0.498 213 A N 4.472 126.755 122.820 -0.895 0.000 2.806 213 A HA 0.518 4.839 4.320 0.002 0.000 0.266 213 A C -0.741 176.144 177.584 -1.165 0.000 0.926 213 A CA -0.630 50.857 52.037 -0.917 0.000 1.068 213 A CB -0.343 18.538 19.000 -0.199 0.000 1.189 213 A HN 0.963 nan 8.150 nan 0.000 0.481 214 L N -4.883 115.480 121.223 -1.433 0.000 2.445 214 L HA 0.895 5.235 4.340 0.002 0.000 0.262 214 L C -1.404 174.918 176.870 -0.912 0.000 0.974 214 L CA -1.127 53.185 54.840 -0.879 0.000 0.822 214 L CB 1.095 42.886 42.059 -0.448 0.000 1.339 214 L HN 0.210 nan 8.230 nan 0.000 0.409 215 W N 2.002 123.339 121.300 0.061 0.000 2.587 215 W HA 0.333 4.994 4.660 0.002 0.000 0.324 215 W C -1.353 175.380 176.519 0.357 0.000 1.008 215 W CA -0.777 56.723 57.345 0.258 0.000 1.265 215 W CB 1.478 31.152 29.460 0.356 0.000 1.328 215 W HN 0.630 nan 8.180 nan 0.000 0.432 216 W N 2.426 123.931 121.300 0.342 0.000 2.158 216 W HA 0.190 4.850 4.660 0.002 0.000 0.339 216 W C 1.359 177.711 176.519 -0.278 0.000 1.294 216 W CA 0.426 57.834 57.345 0.105 0.000 1.231 216 W CB 0.771 30.268 29.460 0.061 0.000 1.143 216 W HN 0.192 nan 8.180 nan 0.000 0.571 217 S N 2.283 117.730 115.700 -0.421 0.000 2.624 217 S HA 0.245 4.716 4.470 0.002 0.000 0.263 217 S C -1.809 172.525 174.600 -0.444 0.000 1.287 217 S CA -1.031 56.349 58.200 -1.366 0.000 0.990 217 S CB 1.038 63.511 63.200 -1.211 0.000 0.950 217 S HN 0.264 nan 8.310 nan 0.000 0.561 218 P HA -0.177 nan 4.420 nan 0.000 0.214 218 P C 0.996 178.261 177.300 -0.059 0.000 1.169 218 P CA 1.770 64.830 63.100 -0.067 0.000 0.908 218 P CB -0.234 31.474 31.700 0.013 0.000 0.791 219 N N -1.817 116.839 118.700 -0.073 0.000 2.398 219 N HA 0.090 4.831 4.740 0.002 0.000 0.188 219 N C 1.122 176.561 175.510 -0.119 0.000 1.122 219 N CA 0.829 53.833 53.050 -0.077 0.000 0.866 219 N CB -0.810 37.643 38.487 -0.056 0.000 0.970 219 N HN 0.251 nan 8.380 nan 0.000 0.462 220 G N -1.251 107.482 108.800 -0.112 0.000 2.176 220 G HA2 -0.329 3.632 3.960 0.002 0.000 0.253 220 G HA3 -0.329 3.632 3.960 0.002 0.000 0.253 220 G C 0.980 175.902 174.900 0.035 0.000 0.979 220 G CA 0.655 45.686 45.100 -0.116 0.000 0.641 220 G HN 0.372 nan 8.290 nan 0.000 0.530 221 T N 0.172 114.678 114.554 -0.080 0.000 2.674 221 T HA 0.185 4.536 4.350 0.002 0.000 0.265 221 T C 0.881 175.441 174.700 -0.235 0.000 1.039 221 T CA 1.366 63.323 62.100 -0.239 0.000 1.150 221 T CB -0.099 68.476 68.868 -0.489 0.000 0.864 221 T HN 0.284 nan 8.240 nan 0.000 0.427 222 F N 0.324 120.306 119.950 0.053 0.000 2.425 222 F HA 0.625 5.153 4.527 0.002 0.000 0.331 222 F C -0.189 175.663 175.800 0.088 0.000 1.085 222 F CA -1.658 56.399 58.000 0.095 0.000 1.028 222 F CB 1.077 40.188 39.000 0.185 0.000 1.177 222 F HN -0.090 nan 8.300 nan 0.000 0.487 223 L N 2.706 124.068 121.223 0.231 0.000 2.372 223 L HA 0.805 5.146 4.340 0.002 0.000 0.273 223 L C -0.688 176.257 176.870 0.126 0.000 0.989 223 L CA -0.498 54.280 54.840 -0.104 0.000 0.841 223 L CB 0.751 42.476 42.059 -0.558 0.000 1.225 223 L HN 0.663 nan 8.230 nan 0.000 0.414 224 A N 4.538 127.511 122.820 0.255 0.000 2.306 224 A HA 0.856 5.177 4.320 0.002 0.000 0.330 224 A C -1.439 176.210 177.584 0.108 0.000 1.146 224 A CA -0.252 51.828 52.037 0.072 0.000 0.827 224 A CB 0.808 19.924 19.000 0.193 0.000 1.178 224 A HN 0.925 nan 8.150 nan 0.000 0.490 225 Y N -2.321 117.741 120.300 -0.396 0.000 2.656 225 Y HA 0.741 5.292 4.550 0.002 0.000 0.334 225 Y C -0.443 175.299 175.900 -0.263 0.000 1.179 225 Y CA -0.892 57.079 58.100 -0.214 0.000 1.050 225 Y CB 0.740 39.037 38.460 -0.272 0.000 1.308 225 Y HN 0.999 nan 8.280 nan 0.000 0.456 226 A N 1.817 124.692 122.820 0.091 0.000 2.337 226 A HA 0.720 5.041 4.320 0.002 0.000 0.331 226 A C -1.264 176.175 177.584 -0.242 0.000 1.137 226 A CA -0.863 51.108 52.037 -0.109 0.000 0.807 226 A CB 1.856 20.763 19.000 -0.155 0.000 1.250 226 A HN 0.810 nan 8.150 nan 0.000 0.468 227 Q N 0.849 120.444 119.800 -0.342 0.000 2.321 227 Q HA 0.613 4.954 4.340 0.002 0.000 0.270 227 Q C -2.082 173.676 176.000 -0.404 0.000 1.032 227 Q CA -0.378 55.310 55.803 -0.191 0.000 0.784 227 Q CB 1.139 29.959 28.738 0.137 0.000 1.264 227 Q HN 0.592 nan 8.270 nan 0.000 0.448 228 F N 2.192 122.240 119.950 0.163 0.000 2.469 228 F HA 0.423 4.951 4.527 0.002 0.000 0.332 228 F C 0.351 176.306 175.800 0.258 0.000 1.103 228 F CA -0.938 57.142 58.000 0.132 0.000 0.979 228 F CB 1.469 40.453 39.000 -0.026 0.000 1.137 228 F HN 0.427 nan 8.300 nan 0.000 0.463 229 N N 1.858 120.788 118.700 0.384 0.000 2.479 229 N HA 0.216 4.957 4.740 0.002 0.000 0.261 229 N C -0.738 174.953 175.510 0.301 0.000 0.979 229 N CA -0.284 52.951 53.050 0.308 0.000 0.930 229 N CB 1.056 39.669 38.487 0.210 0.000 1.172 229 N HN 0.533 nan 8.380 nan 0.000 0.499 230 D N 1.439 122.040 120.400 0.336 0.000 2.368 230 D HA 0.111 4.752 4.640 0.002 0.000 0.218 230 D C 1.240 177.661 176.300 0.202 0.000 1.112 230 D CA 0.198 54.370 54.000 0.286 0.000 0.834 230 D CB 0.481 41.512 40.800 0.386 0.000 0.953 230 D HN 0.486 nan 8.370 nan 0.000 0.505 231 T N 0.529 115.184 114.554 0.169 0.000 2.624 231 T HA -0.246 4.105 4.350 0.002 0.000 0.266 231 T C 1.270 176.029 174.700 0.099 0.000 1.050 231 T CA 1.449 63.620 62.100 0.118 0.000 1.163 231 T CB -0.082 68.845 68.868 0.098 0.000 0.861 231 T HN 0.306 nan 8.240 nan 0.000 0.443 232 E N 0.343 120.602 120.200 0.098 0.000 2.451 232 E HA 0.200 4.551 4.350 0.002 0.000 0.194 232 E C -0.632 176.018 176.600 0.084 0.000 1.027 232 E CA -0.263 56.184 56.400 0.079 0.000 0.914 232 E CB 0.599 30.338 29.700 0.065 0.000 1.054 232 E HN 0.204 nan 8.360 nan 0.000 0.461 233 V N 3.263 123.240 119.914 0.106 0.000 2.488 233 V HA 0.115 4.236 4.120 0.002 0.000 0.277 233 V C -1.991 174.160 176.094 0.094 0.000 1.046 233 V CA -1.584 60.781 62.300 0.109 0.000 0.986 233 V CB 0.499 32.405 31.823 0.138 0.000 0.989 233 V HN 0.062 nan 8.190 nan 0.000 0.475 234 P HA 0.198 nan 4.420 nan 0.000 0.269 234 P C -0.698 176.640 177.300 0.062 0.000 1.217 234 P CA -0.091 63.046 63.100 0.063 0.000 0.783 234 P CB 0.474 32.209 31.700 0.060 0.000 0.898 235 L N 2.123 123.360 121.223 0.024 0.000 2.322 235 L HA 0.488 4.829 4.340 0.002 0.000 0.279 235 L C 0.201 177.023 176.870 -0.080 0.000 1.036 235 L CA -0.970 53.866 54.840 -0.007 0.000 0.807 235 L CB 1.130 43.180 42.059 -0.015 0.000 1.226 235 L HN 0.277 nan 8.230 nan 0.000 0.433 236 I N 2.183 122.659 120.570 -0.157 0.000 2.353 236 I HA 0.285 4.456 4.170 0.002 0.000 0.293 236 I C -0.433 175.535 176.117 -0.247 0.000 0.992 236 I CA 0.053 61.160 61.300 -0.321 0.000 1.268 236 I CB 1.020 38.576 38.000 -0.740 0.000 1.387 236 I HN 0.563 nan 8.210 nan 0.000 0.478 237 E N 7.597 127.671 120.200 -0.210 0.000 2.210 237 E HA 0.523 4.874 4.350 0.002 0.000 0.266 237 E C -1.756 174.772 176.600 -0.119 0.000 0.883 237 E CA -0.596 55.679 56.400 -0.209 0.000 0.761 237 E CB 2.048 31.655 29.700 -0.155 0.000 1.156 237 E HN 0.582 nan 8.360 nan 0.000 0.412 238 Y N -1.725 118.490 120.300 -0.142 0.000 2.609 238 Y HA 0.548 5.099 4.550 0.002 0.000 0.336 238 Y C -0.682 175.158 175.900 -0.100 0.000 1.129 238 Y CA -1.269 56.758 58.100 -0.121 0.000 1.040 238 Y CB 0.878 39.274 38.460 -0.107 0.000 1.310 238 Y HN 0.212 nan 8.280 nan 0.000 0.460 239 S N 1.763 117.476 115.700 0.021 0.000 2.584 239 S HA 0.494 4.965 4.470 0.002 0.000 0.273 239 S C -1.451 173.051 174.600 -0.162 0.000 1.311 239 S CA -0.368 57.710 58.200 -0.204 0.000 1.034 239 S CB 0.470 63.400 63.200 -0.450 0.000 0.939 239 S HN 0.531 nan 8.310 nan 0.000 0.513 240 F N 2.266 121.974 119.950 -0.403 0.000 2.499 240 F HA 0.427 4.955 4.527 0.002 0.000 0.333 240 F C -0.324 175.252 175.800 -0.373 0.000 1.138 240 F CA -0.941 56.916 58.000 -0.237 0.000 0.945 240 F CB 0.768 39.741 39.000 -0.046 0.000 1.181 240 F HN 0.647 nan 8.300 nan 0.000 0.435 241 Y N 2.796 122.848 120.300 -0.415 0.000 2.420 241 Y HA 0.095 4.646 4.550 0.002 0.000 0.292 241 Y C 1.770 177.549 175.900 -0.203 0.000 1.119 241 Y CA 1.141 59.092 58.100 -0.249 0.000 1.229 241 Y CB -0.621 37.697 38.460 -0.235 0.000 1.026 241 Y HN 0.739 nan 8.280 nan 0.000 0.554 242 S N -0.209 115.306 115.700 -0.309 0.000 3.307 242 S HA -0.231 4.239 4.470 0.002 0.000 0.634 242 S C -0.448 174.175 174.600 0.037 0.000 2.711 242 S CA 0.349 58.560 58.200 0.019 0.000 2.940 242 S CB -1.172 62.176 63.200 0.246 0.000 0.331 242 S HN 0.466 nan 8.310 nan 0.000 1.766 243 D N 1.576 122.028 120.400 0.087 0.000 2.400 243 D HA 0.129 4.770 4.640 0.002 0.000 0.238 243 D C 1.398 177.725 176.300 0.045 0.000 1.157 243 D CA 0.424 54.460 54.000 0.061 0.000 0.889 243 D CB 0.240 41.080 40.800 0.067 0.000 1.199 243 D HN 0.626 nan 8.370 nan 0.000 0.436 244 E N 0.635 120.853 120.200 0.029 0.000 2.187 244 E HA -0.252 4.099 4.350 0.002 0.000 0.199 244 E C 1.574 178.187 176.600 0.021 0.000 1.004 244 E CA 1.482 57.892 56.400 0.016 0.000 0.813 244 E CB 0.141 29.845 29.700 0.008 0.000 0.736 244 E HN 0.462 nan 8.360 nan 0.000 0.468 245 S N 0.029 115.746 115.700 0.030 0.000 2.474 245 S HA -0.068 4.403 4.470 0.002 0.000 0.235 245 S C 1.117 175.742 174.600 0.041 0.000 0.997 245 S CA 0.010 58.229 58.200 0.031 0.000 0.949 245 S CB -0.160 63.060 63.200 0.034 0.000 0.766 245 S HN 0.242 nan 8.310 nan 0.000 0.517 246 L N 2.401 123.656 121.223 0.054 0.000 2.456 246 L HA 0.122 4.463 4.340 0.002 0.000 0.277 246 L C 1.623 178.527 176.870 0.057 0.000 1.124 246 L CA 0.041 54.923 54.840 0.071 0.000 0.880 246 L CB 0.835 42.947 42.059 0.088 0.000 1.192 246 L HN 0.445 nan 8.230 nan 0.000 0.463 247 Q N 4.037 123.879 119.800 0.070 0.000 2.079 247 Q HA -0.108 4.233 4.340 0.002 0.000 0.200 247 Q C -0.569 175.374 176.000 -0.095 0.000 0.974 247 Q CA 1.373 57.175 55.803 -0.001 0.000 0.840 247 Q CB 0.217 28.990 28.738 0.058 0.000 0.898 247 Q HN 0.579 nan 8.270 nan 0.000 0.430 248 Y N 0.543 120.850 120.300 0.012 0.000 2.335 248 Y HA 0.376 4.927 4.550 0.002 0.000 0.338 248 Y C -2.034 173.862 175.900 -0.007 0.000 0.977 248 Y CA -2.923 55.178 58.100 0.002 0.000 1.114 248 Y CB 1.294 39.749 38.460 -0.008 0.000 1.182 248 Y HN 0.146 nan 8.280 nan 0.000 0.463 249 P HA 0.043 nan 4.420 nan 0.000 0.268 249 P C -0.977 176.315 177.300 -0.014 0.000 1.208 249 P CA -0.427 62.657 63.100 -0.027 0.000 0.777 249 P CB 0.522 32.126 31.700 -0.160 0.000 0.875 250 K N -0.065 120.315 120.400 -0.033 0.000 2.123 250 K HA 0.547 4.868 4.320 0.002 0.000 0.259 250 K C -0.838 175.714 176.600 -0.080 0.000 0.960 250 K CA -0.641 55.634 56.287 -0.020 0.000 0.872 250 K CB 0.679 33.196 32.500 0.028 0.000 1.079 250 K HN 0.178 nan 8.250 nan 0.000 0.440 251 T N 2.047 116.540 114.554 -0.101 0.000 2.743 251 T HA 0.212 4.563 4.350 0.002 0.000 0.292 251 T C -0.293 174.279 174.700 -0.212 0.000 0.972 251 T CA -0.672 61.333 62.100 -0.160 0.000 0.967 251 T CB 0.956 69.746 68.868 -0.130 0.000 0.926 251 T HN 0.365 nan 8.240 nan 0.000 0.459 252 V N 6.216 125.907 119.914 -0.372 0.000 2.498 252 V HA 0.522 4.643 4.120 0.002 0.000 0.279 252 V C 0.350 176.161 176.094 -0.471 0.000 1.048 252 V CA -0.687 61.342 62.300 -0.451 0.000 0.967 252 V CB 0.669 32.069 31.823 -0.704 0.000 0.988 252 V HN 0.771 nan 8.190 nan 0.000 0.473 253 R N 4.302 124.657 120.500 -0.240 0.000 2.532 253 R HA 0.798 5.139 4.340 0.002 0.000 0.297 253 R C -1.523 174.754 176.300 -0.037 0.000 0.984 253 R CA -0.632 55.371 56.100 -0.162 0.000 0.884 253 R CB 1.688 31.924 30.300 -0.107 0.000 1.182 253 R HN 0.517 nan 8.270 nan 0.000 0.442 254 V N 0.929 120.827 119.914 -0.026 0.000 2.760 254 V HA 0.550 4.671 4.120 0.002 0.000 0.309 254 V C -2.830 173.306 176.094 0.069 0.000 1.077 254 V CA -2.417 59.933 62.300 0.083 0.000 0.910 254 V CB 2.712 34.587 31.823 0.086 0.000 1.008 254 V HN 0.592 nan 8.190 nan 0.000 0.424 255 P HA 0.220 nan 4.420 nan 0.000 0.264 255 P C -1.739 175.657 177.300 0.160 0.000 1.229 255 P CA 0.632 63.830 63.100 0.163 0.000 0.780 255 P CB -0.360 31.481 31.700 0.234 0.000 0.808 256 Y N 6.685 126.956 120.300 -0.048 0.000 2.315 256 Y HA 0.383 4.934 4.550 0.002 0.000 0.324 256 Y C -2.713 173.164 175.900 -0.039 0.000 1.062 256 Y CA -2.974 55.054 58.100 -0.119 0.000 1.159 256 Y CB 1.785 40.051 38.460 -0.322 0.000 1.145 256 Y HN 0.280 nan 8.280 nan 0.000 0.442 257 P HA 0.239 nan 4.420 nan 0.000 0.286 257 P C -0.914 176.456 177.300 0.116 0.000 1.321 257 P CA -0.184 62.970 63.100 0.089 0.000 0.790 257 P CB 1.254 32.983 31.700 0.048 0.000 0.897 258 K N 2.089 122.634 120.400 0.241 0.000 2.102 258 K HA 0.481 4.802 4.320 0.002 0.000 0.244 258 K C 0.584 177.292 176.600 0.181 0.000 1.021 258 K CA -0.699 55.751 56.287 0.272 0.000 0.913 258 K CB 0.565 33.230 32.500 0.276 0.000 1.062 258 K HN 0.448 nan 8.250 nan 0.000 0.485 259 A N 0.833 123.784 122.820 0.218 0.000 2.591 259 A HA 0.226 4.547 4.320 0.002 0.000 0.244 259 A C 1.209 178.831 177.584 0.062 0.000 1.031 259 A CA 1.098 53.244 52.037 0.181 0.000 0.767 259 A CB -1.256 17.930 19.000 0.309 0.000 0.942 259 A HN 0.921 nan 8.150 nan 0.000 0.514 260 G N 0.912 109.738 108.800 0.043 0.000 2.179 260 G HA2 0.098 4.059 3.960 0.002 0.000 0.260 260 G HA3 0.098 4.059 3.960 0.002 0.000 0.260 260 G C 0.688 175.600 174.900 0.019 0.000 0.977 260 G CA 0.871 45.969 45.100 -0.002 0.000 0.641 260 G HN 2.191 nan 8.290 nan 0.000 0.533 261 A N -0.525 122.325 122.820 0.049 0.000 2.249 261 A HA 0.756 5.077 4.320 0.002 0.000 0.281 261 A C 0.825 178.441 177.584 0.053 0.000 1.127 261 A CA 0.299 52.369 52.037 0.054 0.000 0.833 261 A CB 0.623 19.671 19.000 0.080 0.000 1.140 261 A HN 1.135 nan 8.150 nan 0.000 0.502 262 V N 2.433 122.380 119.914 0.055 0.000 2.479 262 V HA 0.049 4.170 4.120 0.002 0.000 0.281 262 V C 0.267 176.406 176.094 0.075 0.000 1.031 262 V CA -0.216 62.117 62.300 0.055 0.000 1.038 262 V CB -0.183 31.673 31.823 0.055 0.000 0.981 262 V HN 0.768 nan 8.190 nan 0.000 0.478 263 N N 6.439 125.182 118.700 0.073 0.000 2.463 263 N HA 0.460 5.201 4.740 0.002 0.000 0.270 263 N C -2.308 173.286 175.510 0.139 0.000 1.205 263 N CA -1.395 51.721 53.050 0.110 0.000 0.974 263 N CB 1.052 39.604 38.487 0.109 0.000 1.197 263 N HN 0.405 nan 8.380 nan 0.000 0.504 264 P HA 0.137 nan 4.420 nan 0.000 0.276 264 P C -0.516 176.944 177.300 0.267 0.000 1.244 264 P CA -0.206 63.046 63.100 0.253 0.000 0.801 264 P CB 0.525 32.413 31.700 0.313 0.000 1.006 265 T N -1.606 113.087 114.554 0.232 0.000 2.944 265 T HA 0.578 4.929 4.350 0.002 0.000 0.284 265 T C -0.172 174.680 174.700 0.253 0.000 1.010 265 T CA -0.816 61.390 62.100 0.177 0.000 1.025 265 T CB 1.462 70.395 68.868 0.108 0.000 1.079 265 T HN 0.352 nan 8.240 nan 0.000 0.516 266 V N 0.227 120.270 119.914 0.216 0.000 2.962 266 V HA 0.783 4.904 4.120 0.002 0.000 0.313 266 V C -1.548 174.656 176.094 0.183 0.000 1.099 266 V CA -0.880 61.523 62.300 0.171 0.000 0.971 266 V CB 2.087 34.060 31.823 0.250 0.000 1.028 266 V HN 1.050 nan 8.190 nan 0.000 0.430 267 K N 4.021 124.472 120.400 0.084 0.000 2.477 267 K HA 0.576 4.897 4.320 0.002 0.000 0.255 267 K C -2.000 174.596 176.600 -0.007 0.000 0.952 267 K CA -0.475 55.847 56.287 0.058 0.000 0.826 267 K CB 2.765 35.308 32.500 0.072 0.000 1.331 267 K HN 0.554 nan 8.250 nan 0.000 0.437 268 F N 1.974 121.689 119.950 -0.390 0.000 2.532 268 F HA 0.606 5.134 4.527 0.002 0.000 0.321 268 F C -1.469 173.828 175.800 -0.838 0.000 1.089 268 F CA -0.685 57.059 58.000 -0.426 0.000 0.926 268 F CB 0.941 39.799 39.000 -0.237 0.000 1.168 268 F HN 0.386 nan 8.300 nan 0.000 0.459 269 F N 3.441 122.660 119.950 -1.219 0.000 2.613 269 F HA 0.758 5.286 4.527 0.002 0.000 0.314 269 F C -1.052 174.111 175.800 -1.061 0.000 1.075 269 F CA -1.208 56.200 58.000 -0.987 0.000 0.945 269 F CB 2.072 40.440 39.000 -1.053 0.000 1.310 269 F HN 0.135 nan 8.300 nan 0.000 0.467 270 V N 2.372 122.077 119.914 -0.348 0.000 2.623 270 V HA 0.647 4.768 4.120 0.002 0.000 0.304 270 V C -1.261 174.909 176.094 0.126 0.000 1.054 270 V CA -0.812 61.352 62.300 -0.228 0.000 0.882 270 V CB 1.996 33.449 31.823 -0.617 0.000 1.002 270 V HN 0.637 nan 8.190 nan 0.000 0.424 271 V N 4.415 124.475 119.914 0.245 0.000 2.680 271 V HA 0.558 4.679 4.120 0.002 0.000 0.309 271 V C -0.220 176.112 176.094 0.397 0.000 1.052 271 V CA -0.614 61.865 62.300 0.298 0.000 0.908 271 V CB 2.023 33.962 31.823 0.193 0.000 1.001 271 V HN 0.999 nan 8.190 nan 0.000 0.431 272 N N 3.176 122.097 118.700 0.368 0.000 2.415 272 N HA 0.163 4.904 4.740 0.002 0.000 0.246 272 N C 1.077 176.599 175.510 0.020 0.000 1.078 272 N CA 0.322 53.481 53.050 0.182 0.000 0.942 272 N CB 1.077 39.645 38.487 0.135 0.000 1.140 272 N HN 0.914 nan 8.380 nan 0.000 0.501 273 T N -0.149 114.401 114.554 -0.006 0.000 3.227 273 T HA 0.017 4.368 4.350 0.002 0.000 0.257 273 T C 0.366 175.020 174.700 -0.078 0.000 1.162 273 T CA 0.448 62.538 62.100 -0.016 0.000 1.051 273 T CB 0.068 69.021 68.868 0.143 0.000 0.953 273 T HN 0.417 nan 8.240 nan 0.000 0.535 274 D N 0.717 121.050 120.400 -0.111 0.000 2.417 274 D HA 0.156 4.797 4.640 0.002 0.000 0.207 274 D C 0.594 176.840 176.300 -0.089 0.000 1.075 274 D CA 0.172 54.107 54.000 -0.107 0.000 0.851 274 D CB 0.491 41.212 40.800 -0.133 0.000 0.976 274 D HN 0.348 nan 8.370 nan 0.000 0.505 275 S N 1.123 116.777 115.700 -0.076 0.000 2.489 275 S HA 0.254 4.725 4.470 0.002 0.000 0.237 275 S C 0.331 174.898 174.600 -0.056 0.000 1.220 275 S CA -0.471 57.708 58.200 -0.035 0.000 1.231 275 S CB -0.177 63.036 63.200 0.021 0.000 0.900 275 S HN 0.231 nan 8.310 nan 0.000 0.492 276 L N -0.876 120.256 121.223 -0.151 0.000 2.356 276 L HA 0.707 5.048 4.340 0.002 0.000 0.277 276 L C 0.648 177.417 176.870 -0.169 0.000 0.996 276 L CA -0.789 53.914 54.840 -0.228 0.000 0.822 276 L CB 1.582 43.329 42.059 -0.521 0.000 1.256 276 L HN 0.199 nan 8.230 nan 0.000 0.413 277 S N 2.842 118.564 115.700 0.037 0.000 2.320 277 S HA 0.112 4.583 4.470 0.002 0.000 0.180 277 S C 0.942 175.788 174.600 0.410 0.000 1.145 277 S CA 0.928 59.227 58.200 0.166 0.000 1.444 277 S CB -0.335 62.940 63.200 0.125 0.000 0.843 277 S HN 1.357 nan 8.310 nan 0.000 0.406 278 S N -1.937 113.967 115.700 0.340 0.000 4.435 278 S HA 0.029 4.500 4.470 0.002 0.000 0.064 278 S C 0.311 175.000 174.600 0.148 0.000 0.851 278 S CA 0.183 58.537 58.200 0.257 0.000 1.082 278 S CB -1.015 62.270 63.200 0.140 0.000 0.589 278 S HN 0.661 nan 8.310 nan 0.000 0.782 279 V N 0.968 120.969 119.914 0.145 0.000 3.368 279 V HA 0.350 4.471 4.120 0.002 0.000 0.255 279 V C 0.590 176.737 176.094 0.088 0.000 1.466 279 V CA 0.911 63.268 62.300 0.096 0.000 1.095 279 V CB 0.540 32.405 31.823 0.070 0.000 0.899 279 V HN 0.517 nan 8.190 nan 0.000 0.440 280 T N 2.364 116.980 114.554 0.104 0.000 2.845 280 T HA 0.358 4.708 4.350 0.002 0.000 0.288 280 T C -0.112 174.655 174.700 0.113 0.000 0.980 280 T CA -0.303 61.845 62.100 0.079 0.000 1.071 280 T CB 0.743 69.653 68.868 0.070 0.000 0.941 280 T HN 0.156 nan 8.240 nan 0.000 0.487 281 N N 2.261 121.004 118.700 0.071 0.000 2.475 281 N HA 0.323 5.064 4.740 0.002 0.000 0.267 281 N C 0.378 175.972 175.510 0.141 0.000 1.169 281 N CA -0.176 52.952 53.050 0.130 0.000 0.947 281 N CB 0.691 39.143 38.487 -0.059 0.000 1.061 281 N HN 0.846 nan 8.380 nan 0.000 0.466 282 A N 2.366 125.298 122.820 0.188 0.000 2.577 282 A HA 0.144 4.465 4.320 0.002 0.000 0.233 282 A C 0.278 177.933 177.584 0.118 0.000 1.076 282 A CA 0.322 52.431 52.037 0.120 0.000 0.767 282 A CB 0.019 19.067 19.000 0.080 0.000 1.017 282 A HN 0.565 nan 8.150 nan 0.000 0.511 283 T N 2.222 116.843 114.554 0.111 0.000 2.772 283 T HA 0.472 4.823 4.350 0.002 0.000 0.288 283 T C -0.203 174.595 174.700 0.163 0.000 0.994 283 T CA -0.197 61.980 62.100 0.128 0.000 0.951 283 T CB 0.963 69.908 68.868 0.128 0.000 0.933 283 T HN 0.544 nan 8.240 nan 0.000 0.447 284 S N 3.018 118.818 115.700 0.167 0.000 2.457 284 S HA 0.495 4.966 4.470 0.002 0.000 0.289 284 S C -0.067 174.713 174.600 0.301 0.000 1.163 284 S CA -0.706 57.626 58.200 0.220 0.000 1.078 284 S CB 0.337 63.619 63.200 0.136 0.000 0.987 284 S HN 0.464 nan 8.310 nan 0.000 0.482 285 I N 3.158 123.901 120.570 0.288 0.000 2.315 285 I HA 0.249 4.420 4.170 0.002 0.000 0.291 285 I C 0.472 176.673 176.117 0.139 0.000 1.006 285 I CA -0.097 61.362 61.300 0.266 0.000 1.265 285 I CB 1.072 39.296 38.000 0.373 0.000 1.387 285 I HN 0.605 nan 8.210 nan 0.000 0.475 286 Q N 6.458 126.286 119.800 0.048 0.000 2.293 286 Q HA 0.525 4.866 4.340 0.002 0.000 0.251 286 Q C -1.099 174.796 176.000 -0.176 0.000 0.930 286 Q CA -0.282 55.312 55.803 -0.349 0.000 0.893 286 Q CB 0.968 29.410 28.738 -0.493 0.000 1.215 286 Q HN 0.587 nan 8.270 nan 0.000 0.425 287 I N 4.152 124.610 120.570 -0.188 0.000 2.382 287 I HA 0.241 4.412 4.170 0.002 0.000 0.286 287 I C 0.488 176.572 176.117 -0.055 0.000 1.002 287 I CA -0.552 60.726 61.300 -0.035 0.000 1.135 287 I CB 1.603 39.637 38.000 0.057 0.000 1.288 287 I HN 0.822 nan 8.210 nan 0.000 0.448 288 T N 3.227 117.713 114.554 -0.113 0.000 2.906 288 T HA 0.827 5.178 4.350 0.002 0.000 0.283 288 T C 0.813 175.288 174.700 -0.375 0.000 1.098 288 T CA 0.280 62.254 62.100 -0.210 0.000 0.960 288 T CB 1.163 69.920 68.868 -0.185 0.000 1.776 288 T HN 0.921 nan 8.240 nan 0.000 0.594 289 A N 0.855 123.394 122.820 -0.469 0.000 6.048 289 A HA -0.044 4.276 4.320 0.002 0.000 0.289 289 A C -2.340 174.626 177.584 -1.031 0.000 1.956 289 A CA 0.360 52.048 52.037 -0.582 0.000 0.733 289 A CB -2.863 15.928 19.000 -0.349 0.000 1.204 289 A HN 0.882 nan 8.150 nan 0.000 0.387 290 P HA 0.401 nan 4.420 nan 0.000 0.270 290 P C 0.989 178.075 177.300 -0.357 0.000 1.223 290 P CA 0.693 63.543 63.100 -0.416 0.000 0.785 290 P CB 0.433 31.968 31.700 -0.275 0.000 0.923 291 A N 1.725 124.409 122.820 -0.227 0.000 1.940 291 A HA -0.201 4.120 4.320 0.002 0.000 0.219 291 A C 2.060 179.543 177.584 -0.169 0.000 1.176 291 A CA 2.404 54.332 52.037 -0.183 0.000 0.631 291 A CB -1.865 17.061 19.000 -0.124 0.000 0.814 291 A HN 0.620 nan 8.150 nan 0.000 0.446 292 S N -1.385 114.237 115.700 -0.131 0.000 2.474 292 S HA -0.064 4.407 4.470 0.002 0.000 0.235 292 S C 1.715 176.242 174.600 -0.121 0.000 0.997 292 S CA 1.443 59.587 58.200 -0.093 0.000 0.949 292 S CB -0.264 62.955 63.200 0.031 0.000 0.766 292 S HN 0.406 nan 8.310 nan 0.000 0.517 293 M N 0.869 120.335 119.600 -0.224 0.000 2.556 293 M HA 0.351 4.832 4.480 0.002 0.000 0.264 293 M C 2.035 178.093 176.300 -0.403 0.000 1.163 293 M CA 0.707 55.811 55.300 -0.326 0.000 1.186 293 M CB -1.196 31.058 32.600 -0.576 0.000 1.321 293 M HN 0.313 nan 8.290 nan 0.000 0.485 294 L N 1.178 122.141 121.223 -0.434 0.000 2.349 294 L HA -0.162 4.179 4.340 0.002 0.000 0.220 294 L C 2.321 179.130 176.870 -0.102 0.000 1.130 294 L CA 0.695 55.375 54.840 -0.266 0.000 0.791 294 L CB -0.934 40.980 42.059 -0.241 0.000 0.918 294 L HN 0.332 nan 8.230 nan 0.000 0.444 295 I N -2.544 117.962 120.570 -0.107 0.000 2.700 295 I HA 0.027 4.198 4.170 0.002 0.000 0.261 295 I C 1.065 177.163 176.117 -0.032 0.000 1.219 295 I CA 0.916 62.175 61.300 -0.069 0.000 1.463 295 I CB -0.552 37.398 38.000 -0.084 0.000 1.092 295 I HN 0.145 nan 8.210 nan 0.000 0.452 296 G N 0.085 108.888 108.800 0.004 0.000 2.650 296 G HA2 0.240 4.201 3.960 0.002 0.000 0.310 296 G HA3 0.240 4.201 3.960 0.002 0.000 0.310 296 G C -1.819 173.136 174.900 0.092 0.000 1.270 296 G CA -0.561 44.553 45.100 0.024 0.000 0.810 296 G HN 0.052 nan 8.290 nan 0.000 0.493 297 D N 1.289 121.689 120.400 0.000 0.000 2.443 297 D HA 0.447 5.088 4.640 0.002 0.000 0.239 297 D C 0.378 176.611 176.300 -0.111 0.000 1.136 297 D CA 0.738 54.674 54.000 -0.107 0.000 0.879 297 D CB 0.433 41.140 40.800 -0.155 0.000 1.195 297 D HN 0.558 nan 8.370 nan 0.000 0.443 298 H N -0.883 118.038 119.070 -0.249 0.000 2.948 298 H HA 0.437 4.994 4.556 0.002 0.000 0.315 298 H C -1.385 173.794 175.328 -0.249 0.000 1.360 298 H CA -0.789 55.117 56.048 -0.237 0.000 1.125 298 H CB 0.339 30.102 29.762 0.002 0.000 1.844 298 H HN 0.309 nan 8.280 nan 0.000 0.529 299 Y N -0.164 120.370 120.300 0.390 0.000 2.609 299 Y HA 0.442 4.993 4.550 0.002 0.000 0.342 299 Y C -0.554 175.614 175.900 0.447 0.000 1.058 299 Y CA -1.181 57.147 58.100 0.380 0.000 1.055 299 Y CB 1.912 40.441 38.460 0.115 0.000 1.292 299 Y HN 0.496 nan 8.280 nan 0.000 0.476 300 L N 2.547 124.101 121.223 0.551 0.000 2.265 300 L HA 0.457 4.798 4.340 0.002 0.000 0.289 300 L C 0.249 177.130 176.870 0.019 0.000 1.033 300 L CA -0.408 54.407 54.840 -0.042 0.000 0.814 300 L CB 0.491 42.469 42.059 -0.135 0.000 1.203 300 L HN 0.953 nan 8.230 nan 0.000 0.423 301 C N 1.290 120.469 119.300 -0.203 0.000 3.183 301 C HA 0.541 5.002 4.460 0.002 0.000 0.285 301 C C 0.147 174.943 174.990 -0.324 0.000 1.313 301 C CA -0.396 58.428 59.018 -0.323 0.000 1.711 301 C CB -0.934 26.691 27.740 -0.191 0.000 2.135 301 C HN 0.863 nan 8.230 nan 0.000 0.651 302 D N 0.076 120.316 120.400 -0.267 0.000 2.734 302 D HA 0.319 4.960 4.640 0.002 0.000 0.224 302 D C -1.808 174.206 176.300 -0.478 0.000 1.222 302 D CA 0.111 53.985 54.000 -0.210 0.000 0.761 302 D CB 2.370 43.051 40.800 -0.200 0.000 1.569 302 D HN 0.409 nan 8.370 nan 0.000 0.477 303 V N 1.320 120.879 119.914 -0.593 0.000 2.623 303 V HA 0.820 4.941 4.120 0.002 0.000 0.304 303 V C -1.589 174.117 176.094 -0.647 0.000 1.054 303 V CA 0.062 61.821 62.300 -0.901 0.000 0.882 303 V CB 1.815 32.718 31.823 -1.532 0.000 1.002 303 V HN 0.589 nan 8.190 nan 0.000 0.424 304 T N 6.184 120.446 114.554 -0.487 0.000 3.011 304 T HA 0.428 4.779 4.350 0.002 0.000 0.303 304 T C -1.029 173.531 174.700 -0.233 0.000 0.997 304 T CA -0.170 61.800 62.100 -0.217 0.000 1.007 304 T CB 0.981 69.797 68.868 -0.086 0.000 1.017 304 T HN 0.787 nan 8.240 nan 0.000 0.443 305 W N 2.032 123.286 121.300 -0.077 0.000 2.190 305 W HA 0.483 5.143 4.660 0.002 0.000 0.330 305 W C 1.157 177.556 176.519 -0.199 0.000 1.299 305 W CA -0.264 57.024 57.345 -0.094 0.000 1.215 305 W CB 0.578 30.064 29.460 0.044 0.000 1.147 305 W HN 0.860 nan 8.180 nan 0.000 0.563 306 A N 1.856 124.555 122.820 -0.202 0.000 1.909 306 A HA 0.184 4.505 4.320 0.002 0.000 0.209 306 A C 0.975 178.511 177.584 -0.080 0.000 1.247 306 A CA 1.577 53.233 52.037 -0.636 0.000 0.660 306 A CB -0.491 17.711 19.000 -1.330 0.000 0.910 306 A HN 0.543 nan 8.150 nan 0.000 0.465 307 T N -5.541 109.068 114.554 0.091 0.000 2.591 307 T HA 0.353 4.704 4.350 0.002 0.000 0.274 307 T C 0.329 175.195 174.700 0.276 0.000 0.945 307 T CA -0.335 61.869 62.100 0.173 0.000 1.087 307 T CB 0.600 69.554 68.868 0.143 0.000 1.416 307 T HN -0.030 nan 8.240 nan 0.000 0.514 308 Q N 0.334 120.266 119.800 0.220 0.000 2.230 308 Q HA 0.103 4.444 4.340 0.002 0.000 0.202 308 Q C 0.928 177.179 176.000 0.418 0.000 0.963 308 Q CA 1.363 57.298 55.803 0.220 0.000 0.866 308 Q CB -0.035 28.792 28.738 0.149 0.000 0.931 308 Q HN 0.793 nan 8.270 nan 0.000 0.452 309 E N -0.181 120.272 120.200 0.422 0.000 2.758 309 E HA 0.191 4.542 4.350 0.002 0.000 0.215 309 E C -0.218 176.680 176.600 0.497 0.000 0.985 309 E CA -0.158 56.529 56.400 0.477 0.000 1.102 309 E CB 1.066 30.946 29.700 0.301 0.000 1.042 309 E HN -0.053 nan 8.360 nan 0.000 0.480 310 R N 1.593 122.399 120.500 0.510 0.000 2.538 310 R HA 0.522 4.863 4.340 0.002 0.000 0.292 310 R C -1.718 174.641 176.300 0.098 0.000 1.008 310 R CA -0.465 55.812 56.100 0.294 0.000 0.896 310 R CB 1.409 31.755 30.300 0.076 0.000 1.187 310 R HN 0.084 nan 8.270 nan 0.000 0.440 311 I N 2.918 123.367 120.570 -0.201 0.000 2.608 311 I HA 0.406 4.577 4.170 0.002 0.000 0.295 311 I C -0.836 174.967 176.117 -0.524 0.000 1.049 311 I CA -0.491 60.398 61.300 -0.685 0.000 1.063 311 I CB 2.271 39.389 38.000 -1.470 0.000 1.248 311 I HN 0.816 nan 8.210 nan 0.000 0.424 312 S N 7.261 122.644 115.700 -0.528 0.000 2.509 312 S HA 0.803 5.274 4.470 0.002 0.000 0.297 312 S C -1.069 173.224 174.600 -0.511 0.000 1.118 312 S CA -0.688 57.283 58.200 -0.382 0.000 1.074 312 S CB 1.928 65.018 63.200 -0.183 0.000 1.038 312 S HN 0.431 nan 8.310 nan 0.000 0.498 313 L N 1.758 122.702 121.223 -0.465 0.000 2.408 313 L HA 0.545 4.886 4.340 0.002 0.000 0.268 313 L C -0.465 176.115 176.870 -0.483 0.000 0.986 313 L CA -0.197 54.260 54.840 -0.640 0.000 0.820 313 L CB 2.112 43.723 42.059 -0.747 0.000 1.303 313 L HN 0.854 nan 8.230 nan 0.000 0.411 314 Q N 1.787 121.243 119.800 -0.574 0.000 2.333 314 Q HA 0.499 4.840 4.340 0.002 0.000 0.267 314 Q C -1.706 174.028 176.000 -0.442 0.000 1.012 314 Q CA -0.480 55.111 55.803 -0.354 0.000 0.824 314 Q CB 2.178 30.763 28.738 -0.254 0.000 1.290 314 Q HN 0.500 nan 8.270 nan 0.000 0.449 315 W N 2.507 123.756 121.300 -0.085 0.000 2.689 315 W HA 0.633 5.294 4.660 0.002 0.000 0.340 315 W C -0.924 175.621 176.519 0.043 0.000 1.060 315 W CA -0.651 56.693 57.345 -0.002 0.000 1.218 315 W CB 1.116 30.555 29.460 -0.034 0.000 1.410 315 W HN 0.379 nan 8.180 nan 0.000 0.528 316 L N 2.572 124.015 121.223 0.367 0.000 2.410 316 L HA 0.571 4.912 4.340 0.002 0.000 0.270 316 L C -0.096 176.958 176.870 0.308 0.000 0.983 316 L CA -1.096 53.921 54.840 0.295 0.000 0.822 316 L CB 1.375 43.589 42.059 0.259 0.000 1.285 316 L HN 0.409 nan 8.230 nan 0.000 0.409 317 R N 2.244 122.888 120.500 0.240 0.000 2.679 317 R HA 0.222 4.563 4.340 0.002 0.000 0.269 317 R C 1.039 177.379 176.300 0.066 0.000 1.076 317 R CA -0.090 56.096 56.100 0.143 0.000 1.160 317 R CB 0.568 30.942 30.300 0.124 0.000 1.054 317 R HN 0.649 nan 8.270 nan 0.000 0.507 318 R N 1.317 121.766 120.500 -0.085 0.000 2.127 318 R HA -0.081 4.260 4.340 0.002 0.000 0.238 318 R C 0.357 176.694 176.300 0.061 0.000 1.134 318 R CA 1.168 57.199 56.100 -0.117 0.000 0.975 318 R CB 0.170 30.374 30.300 -0.160 0.000 0.865 318 R HN 0.377 nan 8.270 nan 0.000 0.447 319 I N 2.956 123.553 120.570 0.046 0.000 2.260 319 I HA 0.016 4.187 4.170 0.002 0.000 0.297 319 I C 0.081 176.251 176.117 0.089 0.000 1.143 319 I CA 0.277 61.609 61.300 0.053 0.000 1.271 319 I CB 0.798 38.816 38.000 0.032 0.000 1.461 319 I HN 0.266 nan 8.210 nan 0.000 0.530 320 Q N 3.643 123.499 119.800 0.093 0.000 2.216 320 Q HA -0.058 4.283 4.340 0.002 0.000 0.175 320 Q C 0.909 176.982 176.000 0.122 0.000 0.816 320 Q CA 0.078 55.949 55.803 0.114 0.000 1.016 320 Q CB -0.110 28.659 28.738 0.053 0.000 1.400 320 Q HN 0.451 nan 8.270 nan 0.000 0.373 321 N N -0.523 118.252 118.700 0.125 0.000 2.415 321 N HA -0.020 4.721 4.740 0.002 0.000 0.174 321 N C -0.989 174.628 175.510 0.179 0.000 1.048 321 N CA 0.465 53.586 53.050 0.117 0.000 0.895 321 N CB 0.565 39.110 38.487 0.097 0.000 1.036 321 N HN 0.306 nan 8.380 nan 0.000 0.449 322 Y N 0.817 121.140 120.300 0.039 0.000 2.338 322 Y HA 0.430 4.981 4.550 0.002 0.000 0.333 322 Y C -0.710 175.225 175.900 0.058 0.000 0.968 322 Y CA -1.057 57.066 58.100 0.038 0.000 1.123 322 Y CB 1.128 39.602 38.460 0.024 0.000 1.165 322 Y HN -0.095 nan 8.280 nan 0.000 0.452 323 S N 4.355 119.971 115.700 -0.139 0.000 2.542 323 S HA 0.908 5.379 4.470 0.002 0.000 0.293 323 S C -1.727 172.753 174.600 -0.200 0.000 1.089 323 S CA -0.747 57.415 58.200 -0.063 0.000 0.961 323 S CB 1.930 65.119 63.200 -0.019 0.000 1.062 323 S HN 0.438 nan 8.310 nan 0.000 0.483 324 V N 3.130 123.025 119.914 -0.031 0.000 2.638 324 V HA 0.522 4.643 4.120 0.002 0.000 0.306 324 V C -0.544 175.582 176.094 0.054 0.000 1.052 324 V CA -0.652 61.633 62.300 -0.024 0.000 0.885 324 V CB 1.858 33.698 31.823 0.028 0.000 0.999 324 V HN 1.043 nan 8.190 nan 0.000 0.424 325 M N 3.769 123.373 119.600 0.006 0.000 2.268 325 M HA 0.551 5.032 4.480 0.002 0.000 0.344 325 M C -1.395 174.920 176.300 0.025 0.000 1.106 325 M CA -0.262 55.024 55.300 -0.024 0.000 1.010 325 M CB 1.205 33.737 32.600 -0.114 0.000 1.649 325 M HN 0.587 nan 8.290 nan 0.000 0.443 326 D N 5.266 125.673 120.400 0.012 0.000 2.256 326 D HA 0.528 5.169 4.640 0.002 0.000 0.246 326 D C -0.998 175.274 176.300 -0.046 0.000 1.042 326 D CA -0.055 53.953 54.000 0.013 0.000 0.841 326 D CB 1.906 42.738 40.800 0.055 0.000 1.223 326 D HN 0.600 nan 8.370 nan 0.000 0.470 327 I N 2.405 122.973 120.570 -0.003 0.000 2.382 327 I HA 0.319 4.490 4.170 0.002 0.000 0.286 327 I C -0.509 175.612 176.117 0.006 0.000 1.002 327 I CA -0.614 60.676 61.300 -0.016 0.000 1.135 327 I CB 1.308 39.351 38.000 0.072 0.000 1.288 327 I HN 0.165 nan 8.210 nan 0.000 0.448 328 c N 3.808 122.406 118.600 -0.004 0.000 2.417 328 c HA 0.576 5.147 4.570 0.002 0.000 0.324 328 c C -0.369 173.877 174.090 0.260 0.000 1.240 328 c CA -0.746 55.652 56.329 0.115 0.000 1.632 328 c CB 1.274 43.860 42.510 0.126 0.000 2.241 328 c HN 0.587 nan 8.230 nan 0.000 0.499 329 D N 0.097 120.627 120.400 0.217 0.000 2.252 329 D HA 0.313 4.954 4.640 0.002 0.000 0.245 329 D C -0.757 175.443 176.300 -0.166 0.000 1.009 329 D CA -0.263 53.809 54.000 0.118 0.000 0.870 329 D CB 0.934 41.751 40.800 0.029 0.000 1.251 329 D HN 0.588 nan 8.370 nan 0.000 0.460 330 Y N 1.600 121.442 120.300 -0.763 0.000 2.436 330 Y HA 0.151 4.702 4.550 0.002 0.000 0.336 330 Y C -0.053 175.510 175.900 -0.562 0.000 1.049 330 Y CA -0.305 56.994 58.100 -1.335 0.000 1.294 330 Y CB 0.572 38.170 38.460 -1.438 0.000 1.179 330 Y HN 0.154 nan 8.280 nan 0.000 0.520 331 D N 5.691 125.461 120.400 -1.050 0.000 2.393 331 D HA 0.032 4.673 4.640 0.002 0.000 0.232 331 D C 0.905 176.628 176.300 -0.963 0.000 1.192 331 D CA 0.090 53.657 54.000 -0.722 0.000 0.882 331 D CB 0.860 41.400 40.800 -0.433 0.000 1.038 331 D HN 0.874 nan 8.370 nan 0.000 0.499 332 E N 1.989 121.800 120.200 -0.648 0.000 2.045 332 E HA -0.199 4.152 4.350 0.002 0.000 0.212 332 E C 0.565 177.025 176.600 -0.233 0.000 1.039 332 E CA 1.538 57.724 56.400 -0.356 0.000 0.860 332 E CB -0.041 29.600 29.700 -0.098 0.000 0.776 332 E HN 0.259 nan 8.360 nan 0.000 0.467 333 S N -0.614 114.989 115.700 -0.162 0.000 2.994 333 S HA 0.222 4.693 4.470 0.002 0.000 0.247 333 S C -0.007 174.528 174.600 -0.107 0.000 1.323 333 S CA 0.272 58.416 58.200 -0.093 0.000 1.246 333 S CB 0.187 63.352 63.200 -0.058 0.000 0.994 333 S HN 0.172 nan 8.310 nan 0.000 0.484 334 S N -0.636 114.970 115.700 -0.157 0.000 2.364 334 S HA 0.310 4.781 4.470 0.002 0.000 0.274 334 S C 1.447 175.984 174.600 -0.106 0.000 1.016 334 S CA 0.033 58.158 58.200 -0.125 0.000 1.332 334 S CB 0.319 63.426 63.200 -0.154 0.000 1.056 334 S HN 0.638 nan 8.310 nan 0.000 0.525 335 G N 2.297 110.978 108.800 -0.197 0.000 2.284 335 G HA2 -0.349 3.612 3.960 0.002 0.000 0.261 335 G HA3 -0.349 3.612 3.960 0.002 0.000 0.261 335 G C 0.134 175.059 174.900 0.041 0.000 0.997 335 G CA 0.896 45.998 45.100 0.004 0.000 0.621 335 G HN 0.577 nan 8.290 nan 0.000 0.534 336 R N -0.949 119.499 120.500 -0.086 0.000 2.531 336 R HA 0.693 5.034 4.340 0.002 0.000 0.260 336 R C -0.581 175.636 176.300 -0.137 0.000 1.144 336 R CA -0.625 55.493 56.100 0.030 0.000 1.171 336 R CB 0.247 30.575 30.300 0.046 0.000 1.199 336 R HN 0.240 nan 8.270 nan 0.000 0.594 337 W N -0.316 120.991 121.300 0.012 0.000 2.529 337 W HA 0.453 5.114 4.660 0.002 0.000 0.321 337 W C -0.766 175.733 176.519 -0.034 0.000 1.047 337 W CA -0.447 56.896 57.345 -0.004 0.000 1.216 337 W CB 1.325 30.784 29.460 -0.001 0.000 1.357 337 W HN 0.482 nan 8.180 nan 0.000 0.489 338 N N 1.801 120.575 118.700 0.123 0.000 2.342 338 N HA 0.519 5.260 4.740 0.002 0.000 0.293 338 N C -1.554 173.999 175.510 0.072 0.000 1.026 338 N CA -0.592 52.495 53.050 0.061 0.000 0.857 338 N CB 1.239 39.721 38.487 -0.008 0.000 1.256 338 N HN 0.190 nan 8.380 nan 0.000 0.484 339 c N 2.922 121.548 118.600 0.044 0.000 2.242 339 c HA 0.356 4.927 4.570 0.002 0.000 0.317 339 c C 0.367 174.460 174.090 0.005 0.000 1.087 339 c CA -1.105 55.240 56.329 0.028 0.000 1.535 339 c CB -1.414 41.103 42.510 0.011 0.000 1.893 339 c HN 0.609 nan 8.230 nan 0.000 0.426 340 L N 2.875 124.104 121.223 0.010 0.000 2.559 340 L HA 0.093 4.434 4.340 0.002 0.000 0.274 340 L C 0.908 177.771 176.870 -0.012 0.000 1.205 340 L CA 0.401 55.239 54.840 -0.002 0.000 0.907 340 L CB 0.160 42.222 42.059 0.005 0.000 1.153 340 L HN 0.523 nan 8.230 nan 0.000 0.490 341 V N 5.302 125.200 119.914 -0.027 0.000 3.566 341 V HA 0.256 4.377 4.120 0.002 0.000 0.301 341 V C 1.291 177.360 176.094 -0.043 0.000 1.105 341 V CA 0.862 63.138 62.300 -0.041 0.000 1.142 341 V CB 1.154 32.951 31.823 -0.043 0.000 1.107 341 V HN 1.129 nan 8.190 nan 0.000 0.481 342 A N 2.589 125.368 122.820 -0.068 0.000 4.018 342 A HA -0.267 4.054 4.320 0.002 0.000 0.252 342 A C 1.710 179.242 177.584 -0.088 0.000 0.872 342 A CA 1.730 53.723 52.037 -0.074 0.000 1.417 342 A CB -1.799 17.177 19.000 -0.039 0.000 1.002 342 A HN 0.884 nan 8.150 nan 0.000 0.777 343 R N 0.240 120.710 120.500 -0.050 0.000 2.397 343 R HA 0.137 4.478 4.340 0.002 0.000 0.241 343 R C 0.616 176.925 176.300 0.016 0.000 0.914 343 R CA 0.690 56.807 56.100 0.028 0.000 1.071 343 R CB 0.177 30.524 30.300 0.079 0.000 1.116 343 R HN 0.873 nan 8.270 nan 0.000 0.524 344 Q N -0.236 119.497 119.800 -0.112 0.000 2.230 344 Q HA 0.244 4.585 4.340 0.002 0.000 0.253 344 Q C -1.261 174.571 176.000 -0.279 0.000 0.919 344 Q CA -0.552 55.210 55.803 -0.068 0.000 0.908 344 Q CB 1.444 30.156 28.738 -0.044 0.000 1.245 344 Q HN 0.088 nan 8.270 nan 0.000 0.437 345 H N 1.395 120.450 119.070 -0.026 0.000 2.547 345 H HA 0.455 5.012 4.556 0.002 0.000 0.342 345 H C -0.796 174.485 175.328 -0.078 0.000 1.048 345 H CA -0.605 55.429 56.048 -0.023 0.000 1.204 345 H CB 1.320 31.069 29.762 -0.022 0.000 1.493 345 H HN 0.568 nan 8.280 nan 0.000 0.511 346 I N 2.126 122.686 120.570 -0.017 0.000 2.428 346 I HA 0.172 4.343 4.170 0.002 0.000 0.289 346 I C 0.217 176.263 176.117 -0.119 0.000 1.019 346 I CA 0.031 61.230 61.300 -0.170 0.000 1.351 346 I CB 0.930 38.800 38.000 -0.218 0.000 1.412 346 I HN 0.575 nan 8.210 nan 0.000 0.513 347 E N 8.344 128.427 120.200 -0.195 0.000 2.255 347 E HA 0.509 4.860 4.350 0.002 0.000 0.256 347 E C -1.148 175.370 176.600 -0.136 0.000 0.887 347 E CA -0.663 55.681 56.400 -0.093 0.000 0.782 347 E CB 1.249 30.925 29.700 -0.040 0.000 1.214 347 E HN 0.601 nan 8.360 nan 0.000 0.417 348 M N 1.127 120.683 119.600 -0.074 0.000 2.691 348 M HA 0.668 5.149 4.480 0.002 0.000 0.293 348 M C -0.878 175.429 176.300 0.012 0.000 1.259 348 M CA -0.978 54.313 55.300 -0.016 0.000 0.827 348 M CB 2.276 34.907 32.600 0.052 0.000 1.753 348 M HN 0.209 nan 8.290 nan 0.000 0.465 349 S N -0.655 115.056 115.700 0.019 0.000 2.547 349 S HA 0.552 5.022 4.470 0.002 0.000 0.281 349 S C 0.173 174.765 174.600 -0.014 0.000 1.118 349 S CA -0.037 58.155 58.200 -0.012 0.000 0.947 349 S CB 1.733 64.890 63.200 -0.071 0.000 1.053 349 S HN 0.917 nan 8.310 nan 0.000 0.482 350 T N -0.040 114.507 114.554 -0.012 0.000 3.044 350 T HA 0.075 4.426 4.350 0.002 0.000 0.250 350 T C 1.504 176.185 174.700 -0.031 0.000 1.081 350 T CA 0.881 62.975 62.100 -0.010 0.000 1.040 350 T CB -0.327 68.544 68.868 0.004 0.000 0.962 350 T HN 0.683 nan 8.240 nan 0.000 0.506 351 T N -1.996 112.530 114.554 -0.047 0.000 3.015 351 T HA 0.598 4.949 4.350 0.002 0.000 0.250 351 T C 1.158 175.701 174.700 -0.261 0.000 1.057 351 T CA 0.419 62.490 62.100 -0.048 0.000 1.066 351 T CB 0.361 69.276 68.868 0.078 0.000 0.959 351 T HN 0.588 nan 8.240 nan 0.000 0.488 352 G N 0.338 108.804 108.800 -0.556 0.000 2.791 352 G HA2 0.486 4.447 3.960 0.002 0.000 0.158 352 G HA3 0.486 4.447 3.960 0.002 0.000 0.158 352 G C -1.600 173.008 174.900 -0.487 0.000 1.193 352 G CA -0.577 43.970 45.100 -0.922 0.000 1.032 352 G HN 0.498 nan 8.290 nan 0.000 0.557 353 W N -0.103 120.916 121.300 -0.470 0.000 2.225 353 W HA 0.749 5.410 4.660 0.002 0.000 0.377 353 W C -0.421 176.042 176.519 -0.093 0.000 1.418 353 W CA -1.279 55.934 57.345 -0.219 0.000 1.562 353 W CB 0.671 29.985 29.460 -0.244 0.000 1.297 353 W HN 0.258 nan 8.180 nan 0.000 0.686 354 V N 2.994 122.985 119.914 0.128 0.000 2.407 354 V HA 0.703 4.824 4.120 0.002 0.000 0.278 354 V C 0.758 176.926 176.094 0.123 0.000 1.037 354 V CA 0.338 62.671 62.300 0.055 0.000 0.900 354 V CB -0.034 31.821 31.823 0.054 0.000 0.983 354 V HN 1.291 nan 8.190 nan 0.000 0.459 355 G N 5.192 114.020 108.800 0.046 0.000 2.795 355 G HA2 -0.180 3.781 3.960 0.002 0.000 0.664 355 G HA3 -0.180 3.781 3.960 0.002 0.000 0.664 355 G C 0.293 175.272 174.900 0.130 0.000 1.381 355 G CA 0.162 45.312 45.100 0.084 0.000 0.853 355 G HN 0.629 nan 8.290 nan 0.000 0.545 356 R N -0.890 119.678 120.500 0.114 0.000 2.057 356 R HA 0.178 4.519 4.340 0.002 0.000 0.229 356 R C 2.081 178.339 176.300 -0.071 0.000 1.136 356 R CA 2.126 58.246 56.100 0.034 0.000 0.952 356 R CB -0.091 30.238 30.300 0.048 0.000 0.848 356 R HN 0.463 nan 8.270 nan 0.000 0.430 357 F N -0.868 119.224 119.950 0.236 0.000 2.699 357 F HA 0.241 4.769 4.527 0.002 0.000 0.295 357 F C 0.410 176.245 175.800 0.059 0.000 1.052 357 F CA -0.365 57.726 58.000 0.151 0.000 1.239 357 F CB 0.692 39.775 39.000 0.137 0.000 1.018 357 F HN -0.121 nan 8.300 nan 0.000 0.627 358 R N -0.699 119.932 120.500 0.219 0.000 2.692 358 R HA 0.496 4.837 4.340 0.002 0.000 0.269 358 R C -3.280 173.070 176.300 0.084 0.000 1.030 358 R CA -1.998 54.154 56.100 0.086 0.000 0.882 358 R CB 0.481 30.779 30.300 -0.003 0.000 1.250 358 R HN -0.330 nan 8.270 nan 0.000 0.465 359 P HA -0.051 nan 4.420 nan 0.000 0.265 359 P C -0.284 177.032 177.300 0.025 0.000 1.187 359 P CA 0.158 63.273 63.100 0.024 0.000 0.766 359 P CB 0.654 32.344 31.700 -0.017 0.000 0.820 360 S N 1.831 117.558 115.700 0.046 0.000 2.584 360 S HA 0.118 4.589 4.470 0.002 0.000 0.270 360 S C 0.240 174.851 174.600 0.019 0.000 1.346 360 S CA -0.672 57.569 58.200 0.069 0.000 1.018 360 S CB 0.310 63.571 63.200 0.103 0.000 0.899 360 S HN 0.520 nan 8.310 nan 0.000 0.542 361 E N 1.367 121.594 120.200 0.045 0.000 2.301 361 E HA 0.413 4.764 4.350 0.002 0.000 0.275 361 E C -2.786 173.781 176.600 -0.056 0.000 1.030 361 E CA -2.390 53.989 56.400 -0.036 0.000 0.852 361 E CB 0.356 30.043 29.700 -0.023 0.000 1.060 361 E HN 0.467 nan 8.360 nan 0.000 0.401 362 P HA 0.253 nan 4.420 nan 0.000 0.284 362 P C -0.739 176.402 177.300 -0.266 0.000 1.258 362 P CA -0.402 62.534 63.100 -0.273 0.000 0.824 362 P CB 0.889 32.095 31.700 -0.823 0.000 1.038 363 H N 1.950 121.018 119.070 -0.003 0.000 2.792 363 H HA 0.289 4.846 4.556 0.002 0.000 0.298 363 H C -0.285 175.157 175.328 0.189 0.000 1.042 363 H CA -0.328 55.812 56.048 0.154 0.000 1.300 363 H CB 0.228 30.108 29.762 0.197 0.000 1.431 363 H HN 0.304 nan 8.280 nan 0.000 0.496 364 F N 1.864 121.993 119.950 0.299 0.000 2.418 364 F HA 0.058 4.586 4.527 0.002 0.000 0.341 364 F C 1.631 177.622 175.800 0.318 0.000 1.120 364 F CA -0.384 57.804 58.000 0.314 0.000 1.232 364 F CB 0.920 40.039 39.000 0.197 0.000 1.175 364 F HN 0.349 nan 8.300 nan 0.000 0.569 365 T N 0.545 115.401 114.554 0.503 0.000 2.828 365 T HA 0.139 4.490 4.350 0.002 0.000 0.290 365 T C 1.154 176.046 174.700 0.319 0.000 1.019 365 T CA -0.818 61.515 62.100 0.388 0.000 1.031 365 T CB 0.823 69.905 68.868 0.357 0.000 1.001 365 T HN 0.608 nan 8.240 nan 0.000 0.531 366 L N 1.271 122.637 121.223 0.239 0.000 2.034 366 L HA -0.181 4.159 4.340 0.002 0.000 0.217 366 L C 1.986 178.965 176.870 0.181 0.000 1.077 366 L CA 2.608 57.562 54.840 0.189 0.000 0.769 366 L CB -0.941 41.205 42.059 0.145 0.000 0.890 366 L HN 0.963 nan 8.230 nan 0.000 0.435 367 D N -1.465 119.044 120.400 0.182 0.000 2.349 367 D HA 0.100 4.741 4.640 0.002 0.000 0.224 367 D C 1.609 178.018 176.300 0.182 0.000 1.029 367 D CA 0.658 54.754 54.000 0.160 0.000 0.879 367 D CB -0.627 40.256 40.800 0.138 0.000 0.906 367 D HN 0.451 nan 8.370 nan 0.000 0.528 368 G N 0.605 109.552 108.800 0.246 0.000 2.180 368 G HA2 -0.431 3.530 3.960 0.002 0.000 0.263 368 G HA3 -0.431 3.530 3.960 0.002 0.000 0.263 368 G C 0.779 175.883 174.900 0.339 0.000 0.989 368 G CA 0.624 45.892 45.100 0.281 0.000 0.692 368 G HN 0.530 nan 8.290 nan 0.000 0.526 369 N N -0.193 118.676 118.700 0.281 0.000 2.412 369 N HA 0.289 5.030 4.740 0.002 0.000 0.184 369 N C 0.733 176.366 175.510 0.205 0.000 1.101 369 N CA 0.583 53.766 53.050 0.221 0.000 0.881 369 N CB 0.240 38.814 38.487 0.146 0.000 0.969 369 N HN 0.640 nan 8.380 nan 0.000 0.459 370 S N -0.204 115.651 115.700 0.258 0.000 2.596 370 S HA 0.685 5.156 4.470 0.002 0.000 0.270 370 S C -1.215 173.451 174.600 0.110 0.000 1.155 370 S CA -1.087 57.131 58.200 0.030 0.000 0.827 370 S CB 1.467 64.607 63.200 -0.100 0.000 1.130 370 S HN 0.175 nan 8.310 nan 0.000 0.467 371 F N -1.847 117.931 119.950 -0.287 0.000 2.713 371 F HA 0.829 5.357 4.527 0.002 0.000 0.311 371 F C -2.329 173.315 175.800 -0.259 0.000 1.141 371 F CA -1.519 56.268 58.000 -0.355 0.000 0.939 371 F CB 0.619 38.991 39.000 -1.047 0.000 1.325 371 F HN 0.596 nan 8.300 nan 0.000 0.453 372 Y N 1.239 121.687 120.300 0.246 0.000 2.393 372 Y HA 0.681 5.232 4.550 0.002 0.000 0.341 372 Y C -0.563 175.508 175.900 0.286 0.000 0.988 372 Y CA -0.925 57.314 58.100 0.231 0.000 1.078 372 Y CB 2.141 40.688 38.460 0.145 0.000 1.203 372 Y HN 0.719 nan 8.280 nan 0.000 0.453 373 K N 1.463 122.104 120.400 0.401 0.000 2.542 373 K HA 0.627 4.948 4.320 0.002 0.000 0.259 373 K C -1.782 174.965 176.600 0.246 0.000 0.932 373 K CA -0.670 55.800 56.287 0.304 0.000 0.820 373 K CB 1.538 34.159 32.500 0.201 0.000 1.345 373 K HN 0.592 nan 8.250 nan 0.000 0.432 374 I N 4.505 125.187 120.570 0.186 0.000 2.452 374 I HA 0.253 4.424 4.170 0.002 0.000 0.287 374 I C 0.251 176.457 176.117 0.149 0.000 1.079 374 I CA -0.351 61.037 61.300 0.146 0.000 1.387 374 I CB -0.011 38.051 38.000 0.104 0.000 1.404 374 I HN 0.652 nan 8.210 nan 0.000 0.522 375 I N 1.899 122.584 120.570 0.193 0.000 3.074 375 I HA 0.509 4.680 4.170 0.002 0.000 0.310 375 I C -0.287 175.938 176.117 0.179 0.000 1.153 375 I CA -0.829 60.580 61.300 0.182 0.000 0.993 375 I CB 2.123 40.254 38.000 0.218 0.000 1.237 375 I HN 0.334 nan 8.210 nan 0.000 0.443 376 S N 2.264 118.020 115.700 0.094 0.000 2.548 376 S HA 0.252 4.723 4.470 0.002 0.000 0.277 376 S C 0.145 174.774 174.600 0.048 0.000 1.315 376 S CA -0.309 57.890 58.200 -0.001 0.000 1.050 376 S CB -0.073 63.076 63.200 -0.085 0.000 0.918 376 S HN 0.667 nan 8.310 nan 0.000 0.497 377 N N 1.999 120.633 118.700 -0.109 0.000 2.235 377 N HA 0.027 4.768 4.740 0.002 0.000 0.231 377 N C 0.954 176.393 175.510 -0.118 0.000 1.330 377 N CA -0.014 52.870 53.050 -0.276 0.000 0.898 377 N CB 0.324 38.645 38.487 -0.277 0.000 1.151 377 N HN 0.768 nan 8.380 nan 0.000 0.472 378 E N 0.177 120.298 120.200 -0.132 0.000 2.435 378 E HA -0.024 4.327 4.350 0.002 0.000 0.195 378 E C 0.697 177.260 176.600 -0.062 0.000 1.029 378 E CA 0.927 57.294 56.400 -0.054 0.000 0.865 378 E CB 0.094 29.772 29.700 -0.037 0.000 0.833 378 E HN 0.559 nan 8.360 nan 0.000 0.510 379 E N -1.406 118.750 120.200 -0.073 0.000 2.481 379 E HA 0.116 4.467 4.350 0.002 0.000 0.198 379 E C 0.479 177.082 176.600 0.006 0.000 1.027 379 E CA 0.420 56.818 56.400 -0.002 0.000 0.900 379 E CB 0.272 29.986 29.700 0.024 0.000 0.993 379 E HN 0.347 nan 8.360 nan 0.000 0.482 380 G N 0.749 109.491 108.800 -0.096 0.000 2.157 380 G HA2 -0.268 3.693 3.960 0.002 0.000 0.239 380 G HA3 -0.268 3.693 3.960 0.002 0.000 0.239 380 G C -0.357 174.289 174.900 -0.422 0.000 0.982 380 G CA 0.187 45.128 45.100 -0.265 0.000 0.650 380 G HN 0.202 nan 8.290 nan 0.000 0.527 381 Y N 0.399 120.555 120.300 -0.239 0.000 2.361 381 Y HA 0.671 5.222 4.550 0.002 0.000 0.332 381 Y C 1.141 176.840 175.900 -0.335 0.000 1.101 381 Y CA -0.903 57.025 58.100 -0.288 0.000 1.137 381 Y CB 0.988 39.285 38.460 -0.273 0.000 1.207 381 Y HN 0.078 nan 8.280 nan 0.000 0.463 382 R N 3.490 123.818 120.500 -0.287 0.000 2.267 382 R HA 0.290 4.631 4.340 0.002 0.000 0.319 382 R C -0.812 175.162 176.300 -0.543 0.000 1.067 382 R CA -0.050 55.889 56.100 -0.269 0.000 0.936 382 R CB 0.129 30.327 30.300 -0.169 0.000 1.006 382 R HN 0.652 nan 8.270 nan 0.000 0.452 383 H N 1.688 120.690 119.070 -0.113 0.000 2.985 383 H HA 0.313 4.870 4.556 0.002 0.000 0.360 383 H C -0.169 175.206 175.328 0.080 0.000 1.221 383 H CA -0.916 55.041 56.048 -0.152 0.000 1.121 383 H CB 1.581 31.133 29.762 -0.350 0.000 1.854 383 H HN 0.332 nan 8.280 nan 0.000 0.551 384 I N 1.467 122.112 120.570 0.126 0.000 2.452 384 I HA 0.005 4.176 4.170 0.002 0.000 0.287 384 I C 0.412 176.600 176.117 0.119 0.000 1.079 384 I CA 0.251 61.609 61.300 0.096 0.000 1.387 384 I CB 0.197 38.166 38.000 -0.052 0.000 1.404 384 I HN 0.142 nan 8.210 nan 0.000 0.522 385 c N 7.496 126.103 118.600 0.012 0.000 2.382 385 c HA 0.408 4.979 4.570 0.002 0.000 0.327 385 c C -0.323 173.618 174.090 -0.249 0.000 1.250 385 c CA -0.506 55.590 56.329 -0.388 0.000 1.707 385 c CB 0.899 42.883 42.510 -0.876 0.000 2.272 385 c HN 0.635 nan 8.230 nan 0.000 0.506 386 Y N 5.109 125.063 120.300 -0.577 0.000 2.341 386 Y HA 0.662 5.213 4.550 0.002 0.000 0.340 386 Y C -1.031 174.397 175.900 -0.786 0.000 0.997 386 Y CA -0.837 56.871 58.100 -0.655 0.000 1.149 386 Y CB 0.178 38.336 38.460 -0.503 0.000 1.171 386 Y HN 0.607 nan 8.280 nan 0.000 0.494 387 F N 3.262 122.465 119.950 -1.244 0.000 2.507 387 F HA 0.496 5.024 4.527 0.002 0.000 0.327 387 F C -0.267 174.805 175.800 -1.213 0.000 1.068 387 F CA -1.011 56.219 58.000 -1.283 0.000 0.965 387 F CB 1.578 39.485 39.000 -1.822 0.000 1.192 387 F HN 0.272 nan 8.300 nan 0.000 0.476 388 Q N 1.916 121.399 119.800 -0.529 0.000 2.325 388 Q HA 0.367 4.708 4.340 0.002 0.000 0.262 388 Q C 1.068 177.039 176.000 -0.047 0.000 0.968 388 Q CA -0.259 55.361 55.803 -0.304 0.000 0.877 388 Q CB 1.345 29.956 28.738 -0.211 0.000 1.253 388 Q HN 0.692 nan 8.270 nan 0.000 0.448 389 I N -0.479 120.143 120.570 0.088 0.000 2.381 389 I HA -0.232 3.939 4.170 0.002 0.000 0.255 389 I C 0.324 176.650 176.117 0.348 0.000 1.140 389 I CA 1.662 63.162 61.300 0.332 0.000 1.404 389 I CB -0.054 38.163 38.000 0.362 0.000 1.075 389 I HN 0.452 nan 8.210 nan 0.000 0.433 390 D N 0.291 120.798 120.400 0.177 0.000 2.559 390 D HA 0.270 4.911 4.640 0.002 0.000 0.234 390 D C -0.133 176.199 176.300 0.053 0.000 1.226 390 D CA -0.376 53.684 54.000 0.101 0.000 0.830 390 D CB 0.127 40.962 40.800 0.058 0.000 1.028 390 D HN 0.287 nan 8.370 nan 0.000 0.492 391 K N 0.457 120.917 120.400 0.101 0.000 2.426 391 K HA 0.276 4.597 4.320 0.002 0.000 0.254 391 K C 1.078 177.732 176.600 0.089 0.000 0.936 391 K CA -0.748 55.560 56.287 0.035 0.000 0.801 391 K CB 2.114 34.594 32.500 -0.034 0.000 1.139 391 K HN -0.074 nan 8.250 nan 0.000 0.424 392 K N 0.863 121.265 120.400 0.003 0.000 2.009 392 K HA -0.059 4.262 4.320 0.002 0.000 0.210 392 K C -0.172 176.456 176.600 0.046 0.000 1.049 392 K CA 1.142 57.436 56.287 0.010 0.000 0.929 392 K CB -0.022 32.458 32.500 -0.033 0.000 0.714 392 K HN 0.366 nan 8.250 nan 0.000 0.440 393 D N 1.435 121.800 120.400 -0.058 0.000 2.256 393 D HA 0.136 4.777 4.640 0.002 0.000 0.250 393 D C 0.033 176.123 176.300 -0.350 0.000 1.093 393 D CA -0.372 53.530 54.000 -0.162 0.000 0.882 393 D CB 1.400 42.119 40.800 -0.134 0.000 1.185 393 D HN 0.425 nan 8.370 nan 0.000 0.437 394 c N 0.404 118.624 118.600 -0.634 0.000 2.345 394 c HA 0.780 5.351 4.570 0.002 0.000 0.370 394 c C 0.297 173.970 174.090 -0.694 0.000 1.209 394 c CA -0.596 55.125 56.329 -1.013 0.000 2.133 394 c CB 1.059 42.261 42.510 -2.180 0.000 2.293 394 c HN 0.459 nan 8.230 nan 0.000 0.544 395 T N 1.936 116.146 114.554 -0.574 0.000 2.786 395 T HA 0.463 4.814 4.350 0.002 0.000 0.283 395 T C -0.675 173.831 174.700 -0.323 0.000 0.992 395 T CA 0.149 62.068 62.100 -0.302 0.000 0.954 395 T CB 0.233 69.077 68.868 -0.040 0.000 0.934 395 T HN 0.475 nan 8.240 nan 0.000 0.440 396 F N 3.622 123.462 119.950 -0.184 0.000 2.543 396 F HA 0.215 4.743 4.527 0.002 0.000 0.375 396 F C 1.677 177.317 175.800 -0.267 0.000 1.075 396 F CA -0.821 57.055 58.000 -0.208 0.000 1.225 396 F CB 0.331 39.213 39.000 -0.198 0.000 1.099 396 F HN 0.575 nan 8.300 nan 0.000 0.561 397 I N -0.511 119.934 120.570 -0.209 0.000 3.783 397 I HA 0.191 4.362 4.170 0.002 0.000 0.310 397 I C 0.343 176.282 176.117 -0.295 0.000 1.274 397 I CA 0.193 61.133 61.300 -0.601 0.000 1.294 397 I CB -0.022 37.323 38.000 -1.092 0.000 1.051 397 I HN 0.494 nan 8.210 nan 0.000 0.435 398 T N 0.274 114.714 114.554 -0.191 0.000 2.906 398 T HA 0.721 5.072 4.350 0.002 0.000 0.295 398 T C -0.665 173.660 174.700 -0.625 0.000 1.075 398 T CA -0.690 61.279 62.100 -0.218 0.000 1.005 398 T CB 2.721 71.522 68.868 -0.112 0.000 1.136 398 T HN 0.512 nan 8.240 nan 0.000 0.498 399 K N -0.371 119.491 120.400 -0.897 0.000 2.615 399 K HA 0.770 5.091 4.320 0.002 0.000 0.291 399 K C -0.445 175.519 176.600 -1.061 0.000 1.017 399 K CA -0.858 54.587 56.287 -1.404 0.000 0.882 399 K CB 1.208 33.298 32.500 -0.682 0.000 1.522 399 K HN 1.644 nan 8.250 nan 0.000 0.412 400 G N -0.135 108.107 108.800 -0.930 0.000 2.347 400 G HA2 0.071 4.032 3.960 0.002 0.000 0.477 400 G HA3 0.071 4.032 3.960 0.002 0.000 0.477 400 G C -0.656 173.754 174.900 -0.817 0.000 1.349 400 G CA -0.389 44.361 45.100 -0.583 0.000 1.000 400 G HN 1.053 nan 8.290 nan 0.000 0.605 401 T N -0.454 113.771 114.554 -0.549 0.000 4.058 401 T HA 0.551 4.902 4.350 0.002 0.000 0.252 401 T C 0.262 174.841 174.700 -0.201 0.000 1.264 401 T CA 0.583 62.177 62.100 -0.843 0.000 1.094 401 T CB -0.923 67.684 68.868 -0.436 0.000 1.316 401 T HN 1.478 nan 8.240 nan 0.000 0.872 402 W N -0.394 120.791 121.300 -0.191 0.000 2.895 402 W HA 0.664 5.325 4.660 0.002 0.000 0.377 402 W C -1.405 175.112 176.519 -0.003 0.000 1.191 402 W CA -0.999 56.348 57.345 0.005 0.000 1.179 402 W CB 0.657 30.099 29.460 -0.029 0.000 1.469 402 W HN 0.160 nan 8.180 nan 0.000 0.577 403 E N 0.659 120.987 120.200 0.213 0.000 2.343 403 E HA 0.451 4.802 4.350 0.002 0.000 0.270 403 E C -1.260 175.391 176.600 0.086 0.000 0.895 403 E CA -1.168 55.148 56.400 -0.140 0.000 0.767 403 E CB 3.395 33.071 29.700 -0.039 0.000 1.248 403 E HN 0.146 nan 8.360 nan 0.000 0.440 404 V N 3.682 123.519 119.914 -0.129 0.000 2.488 404 V HA 0.016 4.137 4.120 0.002 0.000 0.277 404 V C 1.204 177.360 176.094 0.104 0.000 1.046 404 V CA -0.030 62.306 62.300 0.061 0.000 0.986 404 V CB 0.630 32.386 31.823 -0.111 0.000 0.989 404 V HN 0.689 nan 8.190 nan 0.000 0.475 405 I N 3.310 123.981 120.570 0.169 0.000 2.277 405 I HA 0.217 4.388 4.170 0.002 0.000 0.243 405 I C 1.131 177.351 176.117 0.173 0.000 1.094 405 I CA 1.276 62.675 61.300 0.165 0.000 1.393 405 I CB -0.762 37.285 38.000 0.079 0.000 1.078 405 I HN 0.746 nan 8.210 nan 0.000 0.417 406 G N 0.509 109.412 108.800 0.173 0.000 2.632 406 G HA2 0.526 4.487 3.960 0.002 0.000 0.292 406 G HA3 0.526 4.487 3.960 0.002 0.000 0.292 406 G C -1.208 173.782 174.900 0.151 0.000 1.465 406 G CA -0.571 44.628 45.100 0.166 0.000 0.824 406 G HN -0.037 nan 8.290 nan 0.000 0.509 407 I N 1.668 122.276 120.570 0.063 0.000 2.352 407 I HA 0.226 4.397 4.170 0.002 0.000 0.290 407 I C 0.650 176.715 176.117 -0.087 0.000 1.036 407 I CA -0.529 60.707 61.300 -0.107 0.000 1.336 407 I CB 1.680 39.374 38.000 -0.509 0.000 1.407 407 I HN 0.513 nan 8.210 nan 0.000 0.497 408 E N 4.944 125.141 120.200 -0.006 0.000 2.251 408 E HA 0.309 4.660 4.350 0.002 0.000 0.194 408 E C 0.202 176.722 176.600 -0.133 0.000 0.964 408 E CA 0.238 56.666 56.400 0.046 0.000 0.868 408 E CB 0.800 30.619 29.700 0.198 0.000 0.828 408 E HN 0.686 nan 8.360 nan 0.000 0.481 409 A N 0.601 123.252 122.820 -0.281 0.000 2.605 409 A HA 0.604 4.925 4.320 0.002 0.000 0.294 409 A C -1.988 175.504 177.584 -0.154 0.000 1.062 409 A CA -0.652 51.150 52.037 -0.393 0.000 0.682 409 A CB 1.289 19.557 19.000 -1.221 0.000 1.278 409 A HN 0.041 nan 8.150 nan 0.000 0.410 410 L N 1.596 122.778 121.223 -0.069 0.000 2.441 410 L HA 0.741 5.082 4.340 0.002 0.000 0.270 410 L C 0.189 177.085 176.870 0.044 0.000 0.973 410 L CA 0.416 55.253 54.840 -0.004 0.000 0.842 410 L CB 1.887 43.968 42.059 0.037 0.000 1.239 410 L HN 1.142 nan 8.230 nan 0.000 0.406 411 T N -0.127 114.472 114.554 0.075 0.000 2.922 411 T HA 0.421 4.772 4.350 0.002 0.000 0.281 411 T C 1.104 175.845 174.700 0.067 0.000 1.005 411 T CA 0.043 62.197 62.100 0.089 0.000 0.982 411 T CB 1.248 70.208 68.868 0.154 0.000 1.158 411 T HN 0.639 nan 8.240 nan 0.000 0.566 412 S N -0.865 114.874 115.700 0.064 0.000 2.453 412 S HA -0.064 4.407 4.470 0.002 0.000 0.231 412 S C 1.194 175.786 174.600 -0.014 0.000 1.005 412 S CA 0.827 59.055 58.200 0.048 0.000 0.949 412 S CB -0.504 62.727 63.200 0.051 0.000 0.774 412 S HN 0.693 nan 8.310 nan 0.000 0.510 413 D N 0.006 120.392 120.400 -0.024 0.000 2.202 413 D HA 0.255 4.896 4.640 0.002 0.000 0.214 413 D C -0.205 175.843 176.300 -0.419 0.000 0.967 413 D CA 0.849 54.743 54.000 -0.177 0.000 0.871 413 D CB 0.216 41.009 40.800 -0.013 0.000 1.020 413 D HN 0.438 nan 8.370 nan 0.000 0.474 414 Y N -0.756 119.492 120.300 -0.087 0.000 2.665 414 Y HA 0.463 5.014 4.550 0.002 0.000 0.336 414 Y C -0.353 175.382 175.900 -0.275 0.000 1.085 414 Y CA -1.160 56.800 58.100 -0.233 0.000 1.096 414 Y CB 1.762 39.947 38.460 -0.458 0.000 1.301 414 Y HN -0.241 nan 8.280 nan 0.000 0.493 415 L N 2.258 123.372 121.223 -0.181 0.000 2.349 415 L HA 0.494 4.835 4.340 0.002 0.000 0.278 415 L C -2.040 174.699 176.870 -0.219 0.000 0.996 415 L CA -0.814 53.896 54.840 -0.217 0.000 0.825 415 L CB 0.491 42.349 42.059 -0.335 0.000 1.243 415 L HN 0.638 nan 8.230 nan 0.000 0.412 416 Y N 5.981 126.201 120.300 -0.135 0.000 2.330 416 Y HA 0.560 5.111 4.550 0.002 0.000 0.336 416 Y C -0.113 175.777 175.900 -0.017 0.000 1.036 416 Y CA -0.304 57.709 58.100 -0.145 0.000 1.125 416 Y CB 1.322 39.593 38.460 -0.314 0.000 1.194 416 Y HN 0.566 nan 8.280 nan 0.000 0.469 417 Y N 0.198 120.544 120.300 0.076 0.000 2.625 417 Y HA 0.800 5.351 4.550 0.002 0.000 0.338 417 Y C -1.771 174.204 175.900 0.125 0.000 1.123 417 Y CA -2.007 56.134 58.100 0.067 0.000 1.046 417 Y CB 1.146 39.623 38.460 0.028 0.000 1.299 417 Y HN 0.421 nan 8.280 nan 0.000 0.464 418 I N 3.103 123.849 120.570 0.295 0.000 2.441 418 I HA 0.644 4.815 4.170 0.002 0.000 0.295 418 I C -0.402 175.895 176.117 0.301 0.000 0.994 418 I CA -0.473 60.947 61.300 0.199 0.000 1.144 418 I CB 1.997 40.060 38.000 0.105 0.000 1.314 418 I HN 0.902 nan 8.210 nan 0.000 0.445 419 S N 3.276 119.123 115.700 0.246 0.000 2.671 419 S HA 0.430 4.901 4.470 0.002 0.000 0.277 419 S C -0.610 174.053 174.600 0.105 0.000 1.165 419 S CA -0.870 57.463 58.200 0.222 0.000 0.822 419 S CB 1.734 65.124 63.200 0.316 0.000 1.150 419 S HN 0.640 nan 8.310 nan 0.000 0.479 420 N N -0.502 118.264 118.700 0.111 0.000 2.389 420 N HA 0.158 4.899 4.740 0.002 0.000 0.260 420 N C 0.447 175.962 175.510 0.009 0.000 1.191 420 N CA -0.314 52.759 53.050 0.039 0.000 0.885 420 N CB 0.339 38.831 38.487 0.009 0.000 1.162 420 N HN 0.832 nan 8.380 nan 0.000 0.512 421 E N -0.112 119.972 120.200 -0.193 0.000 2.072 421 E HA -0.177 4.174 4.350 0.002 0.000 0.190 421 E C -0.322 176.144 176.600 -0.223 0.000 0.982 421 E CA 0.157 56.219 56.400 -0.565 0.000 0.803 421 E CB -0.078 28.625 29.700 -1.661 0.000 0.755 421 E HN 0.373 nan 8.360 nan 0.000 0.453 422 Y N 1.787 122.002 120.300 -0.142 0.000 2.895 422 Y HA -0.126 4.425 4.550 0.002 0.000 0.334 422 Y C 0.516 176.383 175.900 -0.055 0.000 1.261 422 Y CA 0.888 58.955 58.100 -0.056 0.000 1.560 422 Y CB 0.232 38.691 38.460 -0.003 0.000 1.253 422 Y HN 0.097 nan 8.280 nan 0.000 0.582 423 K N 3.299 123.365 120.400 -0.556 0.000 3.274 423 K HA -0.238 4.083 4.320 0.002 0.000 0.305 423 K C 0.864 177.380 176.600 -0.140 0.000 1.225 423 K CA 1.349 57.399 56.287 -0.395 0.000 0.904 423 K CB -1.602 30.657 32.500 -0.400 0.000 1.227 423 K HN 1.337 nan 8.250 nan 0.000 0.453 424 G N 0.023 108.758 108.800 -0.109 0.000 2.187 424 G HA2 -0.356 3.605 3.960 0.002 0.000 0.261 424 G HA3 -0.356 3.605 3.960 0.002 0.000 0.261 424 G C 0.046 174.920 174.900 -0.043 0.000 1.000 424 G CA 0.864 45.947 45.100 -0.029 0.000 0.718 424 G HN 0.448 nan 8.290 nan 0.000 0.519 425 M N -0.587 118.921 119.600 -0.154 0.000 2.063 425 M HA 0.412 4.893 4.480 0.002 0.000 0.348 425 M C -1.370 174.670 176.300 -0.433 0.000 1.180 425 M CA -2.128 52.888 55.300 -0.474 0.000 1.059 425 M CB 1.634 33.978 32.600 -0.425 0.000 1.544 425 M HN -0.091 nan 8.290 nan 0.000 0.447 426 P HA -0.071 nan 4.420 nan 0.000 0.228 426 P C 1.036 178.189 177.300 -0.245 0.000 1.151 426 P CA 1.304 64.232 63.100 -0.288 0.000 0.770 426 P CB 0.012 31.567 31.700 -0.240 0.000 0.786 427 G N -0.624 107.965 108.800 -0.351 0.000 3.284 427 G HA2 0.310 4.271 3.960 0.002 0.000 0.236 427 G HA3 0.310 4.271 3.960 0.002 0.000 0.236 427 G C 0.625 175.539 174.900 0.023 0.000 1.158 427 G CA 0.035 45.059 45.100 -0.126 0.000 0.774 427 G HN 0.415 nan 8.290 nan 0.000 0.545 428 G N -0.122 108.640 108.800 -0.063 0.000 2.454 428 G HA2 0.651 4.612 3.960 0.002 0.000 0.329 428 G HA3 0.651 4.612 3.960 0.002 0.000 0.329 428 G C -0.897 173.915 174.900 -0.147 0.000 1.177 428 G CA -0.760 44.339 45.100 -0.001 0.000 0.951 428 G HN 0.067 nan 8.290 nan 0.000 0.485 429 R N 1.122 121.482 120.500 -0.233 0.000 2.574 429 R HA 0.475 4.816 4.340 0.002 0.000 0.288 429 R C -1.215 175.057 176.300 -0.048 0.000 1.004 429 R CA -0.836 55.100 56.100 -0.273 0.000 0.895 429 R CB 2.145 32.035 30.300 -0.685 0.000 1.191 429 R HN 0.608 nan 8.270 nan 0.000 0.444 430 N N 1.534 120.233 118.700 -0.003 0.000 2.329 430 N HA 0.291 5.032 4.740 0.002 0.000 0.282 430 N C -1.329 174.100 175.510 -0.135 0.000 1.198 430 N CA -0.808 52.169 53.050 -0.121 0.000 0.790 430 N CB 2.750 41.079 38.487 -0.263 0.000 1.579 430 N HN 0.246 nan 8.380 nan 0.000 0.475 431 L N 2.146 123.142 121.223 -0.378 0.000 2.305 431 L HA 0.470 4.811 4.340 0.002 0.000 0.281 431 L C -1.410 175.141 176.870 -0.532 0.000 1.085 431 L CA 0.123 54.766 54.840 -0.328 0.000 0.813 431 L CB -0.121 41.717 42.059 -0.368 0.000 1.157 431 L HN 0.410 nan 8.230 nan 0.000 0.436 432 Y N 3.403 123.352 120.300 -0.585 0.000 2.545 432 Y HA 0.597 5.148 4.550 0.002 0.000 0.348 432 Y C -0.516 174.978 175.900 -0.677 0.000 1.002 432 Y CA -0.910 56.770 58.100 -0.701 0.000 1.039 432 Y CB 1.739 39.578 38.460 -1.035 0.000 1.271 432 Y HN 0.568 nan 8.280 nan 0.000 0.467 433 K N 2.516 122.704 120.400 -0.353 0.000 2.378 433 K HA 0.767 5.088 4.320 0.002 0.000 0.252 433 K C -1.906 174.610 176.600 -0.140 0.000 0.931 433 K CA -0.693 55.315 56.287 -0.465 0.000 0.794 433 K CB 2.654 34.640 32.500 -0.856 0.000 1.181 433 K HN 0.772 nan 8.250 nan 0.000 0.425 434 I N 2.103 122.689 120.570 0.027 0.000 2.465 434 I HA 0.181 4.351 4.170 0.002 0.000 0.291 434 I C -0.771 175.476 176.117 0.218 0.000 1.014 434 I CA -0.824 60.585 61.300 0.181 0.000 1.093 434 I CB 2.083 40.216 38.000 0.223 0.000 1.267 434 I HN 0.844 nan 8.210 nan 0.000 0.431 435 Q N 5.373 125.289 119.800 0.194 0.000 2.281 435 Q HA 0.099 4.440 4.340 0.002 0.000 0.267 435 Q C 0.290 176.244 176.000 -0.077 0.000 1.053 435 Q CA -0.532 55.201 55.803 -0.118 0.000 0.905 435 Q CB 1.097 29.796 28.738 -0.066 0.000 1.195 435 Q HN 0.716 nan 8.270 nan 0.000 0.398 436 L N 2.913 124.022 121.223 -0.190 0.000 2.191 436 L HA -0.148 4.193 4.340 0.002 0.000 0.212 436 L C 1.933 178.714 176.870 -0.148 0.000 1.103 436 L CA 1.433 56.240 54.840 -0.055 0.000 0.769 436 L CB -0.734 41.260 42.059 -0.108 0.000 0.908 436 L HN 0.570 nan 8.230 nan 0.000 0.438 437 S N -1.508 114.064 115.700 -0.213 0.000 2.461 437 S HA -0.037 4.434 4.470 0.002 0.000 0.228 437 S C 0.519 174.955 174.600 -0.274 0.000 1.005 437 S CA 0.551 58.618 58.200 -0.222 0.000 0.942 437 S CB 0.014 63.108 63.200 -0.177 0.000 0.776 437 S HN 0.436 nan 8.310 nan 0.000 0.514 438 D N -0.500 119.756 120.400 -0.241 0.000 2.319 438 D HA 0.229 4.870 4.640 0.002 0.000 0.237 438 D C -0.236 176.030 176.300 -0.057 0.000 1.353 438 D CA -0.536 53.335 54.000 -0.215 0.000 0.992 438 D CB 0.034 40.766 40.800 -0.112 0.000 1.368 438 D HN -0.113 nan 8.370 nan 0.000 0.564 439 Y N 1.438 121.721 120.300 -0.029 0.000 2.556 439 Y HA -0.075 4.476 4.550 0.002 0.000 0.290 439 Y C 2.402 178.313 175.900 0.019 0.000 1.149 439 Y CA 0.803 58.900 58.100 -0.004 0.000 1.329 439 Y CB -0.918 37.538 38.460 -0.006 0.000 0.975 439 Y HN 0.367 nan 8.280 nan 0.000 0.561 440 T N -0.233 114.396 114.554 0.125 0.000 2.915 440 T HA -0.085 4.266 4.350 0.002 0.000 0.269 440 T C 0.839 175.590 174.700 0.085 0.000 1.071 440 T CA 0.803 62.953 62.100 0.084 0.000 1.132 440 T CB -0.177 68.712 68.868 0.034 0.000 0.878 440 T HN 0.212 nan 8.240 nan 0.000 0.479 441 K N 2.102 122.556 120.400 0.090 0.000 2.229 441 K HA 0.380 4.701 4.320 0.002 0.000 0.247 441 K C -0.905 175.771 176.600 0.126 0.000 1.117 441 K CA -0.219 56.124 56.287 0.094 0.000 1.036 441 K CB 1.128 33.679 32.500 0.085 0.000 1.654 441 K HN 0.052 nan 8.250 nan 0.000 0.405 442 V N 2.013 121.998 119.914 0.119 0.000 2.398 442 V HA 0.388 4.509 4.120 0.002 0.000 0.286 442 V C -0.754 175.391 176.094 0.085 0.000 1.026 442 V CA -0.041 62.339 62.300 0.135 0.000 0.868 442 V CB 1.735 33.671 31.823 0.188 0.000 0.982 442 V HN 0.519 nan 8.190 nan 0.000 0.443 443 T N 6.308 120.872 114.554 0.017 0.000 2.792 443 T HA 0.309 4.660 4.350 0.002 0.000 0.280 443 T C -0.501 174.083 174.700 -0.195 0.000 0.990 443 T CA -0.248 61.807 62.100 -0.074 0.000 0.960 443 T CB 1.038 69.828 68.868 -0.130 0.000 0.939 443 T HN 0.926 nan 8.240 nan 0.000 0.439 444 C N 5.148 124.258 119.300 -0.317 0.000 2.394 444 C HA 0.433 4.894 4.460 0.002 0.000 0.362 444 C C 1.546 176.188 174.990 -0.579 0.000 1.268 444 C CA -0.558 57.993 59.018 -0.778 0.000 1.828 444 C CB -1.736 25.444 27.740 -0.933 0.000 2.442 444 C HN 0.980 nan 8.230 nan 0.000 0.549 445 L N 4.802 125.660 121.223 -0.609 0.000 2.585 445 L HA 0.120 4.461 4.340 0.002 0.000 0.226 445 L C 1.986 178.545 176.870 -0.519 0.000 1.113 445 L CA 0.653 55.229 54.840 -0.441 0.000 0.876 445 L CB -0.221 41.629 42.059 -0.349 0.000 1.072 445 L HN 0.888 nan 8.230 nan 0.000 0.468 446 S N -3.252 112.023 115.700 -0.709 0.000 2.663 446 S HA -0.018 4.453 4.470 0.002 0.000 0.247 446 S C 1.849 176.040 174.600 -0.682 0.000 1.074 446 S CA 0.025 57.702 58.200 -0.873 0.000 0.955 446 S CB -0.280 62.010 63.200 -1.517 0.000 0.901 446 S HN 0.285 nan 8.310 nan 0.000 0.505 447 C N 2.353 121.209 119.300 -0.740 0.000 2.336 447 C HA -0.111 4.350 4.460 0.002 0.000 0.272 447 C C 2.548 177.236 174.990 -0.503 0.000 1.160 447 C CA 1.833 60.326 59.018 -0.876 0.000 1.783 447 C CB -1.201 25.770 27.740 -1.282 0.000 2.050 447 C HN 0.627 nan 8.230 nan 0.000 0.443 448 E N 0.003 119.995 120.200 -0.348 0.000 2.479 448 E HA 0.151 4.502 4.350 0.002 0.000 0.193 448 E C 1.914 178.459 176.600 -0.091 0.000 1.049 448 E CA -0.035 56.272 56.400 -0.156 0.000 0.870 448 E CB -0.286 29.344 29.700 -0.116 0.000 0.944 448 E HN 0.571 nan 8.360 nan 0.000 0.492 449 L N 0.256 121.417 121.223 -0.104 0.000 2.043 449 L HA -0.139 4.202 4.340 0.002 0.000 0.212 449 L C 0.947 177.827 176.870 0.016 0.000 1.075 449 L CA 1.042 55.866 54.840 -0.027 0.000 0.752 449 L CB -0.058 42.004 42.059 0.005 0.000 0.891 449 L HN 0.157 nan 8.230 nan 0.000 0.432 450 N N -1.747 116.976 118.700 0.038 0.000 3.091 450 N HA 0.040 4.781 4.740 0.002 0.000 0.185 450 N C -2.101 173.436 175.510 0.045 0.000 1.398 450 N CA -0.609 52.461 53.050 0.033 0.000 0.938 450 N CB 0.506 39.008 38.487 0.024 0.000 1.605 450 N HN -0.172 nan 8.380 nan 0.000 0.597 451 P HA -0.162 nan 4.420 nan 0.000 0.219 451 P C 0.733 178.080 177.300 0.077 0.000 1.144 451 P CA 1.211 64.366 63.100 0.092 0.000 0.806 451 P CB 0.661 32.432 31.700 0.119 0.000 0.771 452 E N -0.262 119.964 120.200 0.043 0.000 2.060 452 E HA -0.083 4.268 4.350 0.002 0.000 0.189 452 E C 2.258 178.862 176.600 0.007 0.000 0.974 452 E CA 0.710 57.126 56.400 0.026 0.000 0.808 452 E CB -0.292 29.415 29.700 0.013 0.000 0.768 452 E HN 0.316 nan 8.360 nan 0.000 0.453 453 R N -0.150 120.342 120.500 -0.014 0.000 2.223 453 R HA 0.076 4.417 4.340 0.002 0.000 0.198 453 R C -0.053 176.197 176.300 -0.083 0.000 0.984 453 R CA 0.423 56.491 56.100 -0.053 0.000 1.018 453 R CB 0.430 30.686 30.300 -0.072 0.000 0.945 453 R HN 0.015 nan 8.270 nan 0.000 0.479 454 c N 1.167 119.730 118.600 -0.061 0.000 2.344 454 c HA 0.409 4.980 4.570 0.002 0.000 0.326 454 c C -0.053 174.027 174.090 -0.015 0.000 1.201 454 c CA -0.724 55.512 56.329 -0.154 0.000 1.410 454 c CB 1.358 43.711 42.510 -0.262 0.000 2.070 454 c HN 0.503 nan 8.230 nan 0.000 0.445 455 Q N 0.470 120.260 119.800 -0.017 0.000 2.103 455 Q HA 0.195 4.536 4.340 0.002 0.000 0.219 455 Q C -0.954 175.131 176.000 0.142 0.000 0.784 455 Q CA 0.032 55.905 55.803 0.117 0.000 1.014 455 Q CB 1.352 30.168 28.738 0.129 0.000 1.183 455 Q HN 0.798 nan 8.270 nan 0.000 0.469 456 Y N 0.489 120.707 120.300 -0.137 0.000 2.373 456 Y HA 0.380 4.931 4.550 0.002 0.000 0.327 456 Y C -1.614 174.167 175.900 -0.198 0.000 1.036 456 Y CA -1.010 57.031 58.100 -0.097 0.000 1.265 456 Y CB 0.868 39.269 38.460 -0.098 0.000 1.108 456 Y HN -0.067 nan 8.280 nan 0.000 0.471 457 Y N 2.024 122.248 120.300 -0.127 0.000 2.549 457 Y HA 0.699 5.250 4.550 0.002 0.000 0.339 457 Y C 0.050 175.891 175.900 -0.098 0.000 1.053 457 Y CA -0.769 57.277 58.100 -0.091 0.000 1.105 457 Y CB 2.347 40.729 38.460 -0.131 0.000 1.258 457 Y HN 0.486 nan 8.280 nan 0.000 0.478 458 S N 0.586 116.378 115.700 0.153 0.000 2.599 458 S HA 0.862 5.333 4.470 0.002 0.000 0.287 458 S C -1.620 173.049 174.600 0.116 0.000 1.105 458 S CA -0.754 57.516 58.200 0.116 0.000 0.899 458 S CB 1.811 65.092 63.200 0.136 0.000 1.100 458 S HN 0.651 nan 8.310 nan 0.000 0.482 459 V N 0.476 120.455 119.914 0.108 0.000 3.078 459 V HA 0.904 5.025 4.120 0.002 0.000 0.311 459 V C -1.158 175.013 176.094 0.128 0.000 1.138 459 V CA -0.324 62.011 62.300 0.059 0.000 1.007 459 V CB 2.339 34.115 31.823 -0.078 0.000 1.045 459 V HN 1.224 nan 8.190 nan 0.000 0.432 460 S N 4.000 119.758 115.700 0.097 0.000 2.775 460 S HA 0.642 5.113 4.470 0.002 0.000 0.277 460 S C -1.244 173.504 174.600 0.248 0.000 1.156 460 S CA -0.410 57.953 58.200 0.272 0.000 1.081 460 S CB 0.342 63.751 63.200 0.348 0.000 1.054 460 S HN 0.497 nan 8.310 nan 0.000 0.482 461 F N 3.014 123.029 119.950 0.110 0.000 2.371 461 F HA 0.479 5.008 4.527 0.002 0.000 0.329 461 F C 1.449 176.823 175.800 -0.709 0.000 1.107 461 F CA -0.276 57.614 58.000 -0.185 0.000 1.137 461 F CB 1.326 40.191 39.000 -0.225 0.000 1.214 461 F HN 0.627 nan 8.300 nan 0.000 0.536 462 S N 1.628 116.715 115.700 -1.022 0.000 2.634 462 S HA 0.198 4.669 4.470 0.002 0.000 0.261 462 S C 1.208 175.546 174.600 -0.437 0.000 1.271 462 S CA -0.856 56.502 58.200 -1.403 0.000 0.985 462 S CB 0.806 63.225 63.200 -1.301 0.000 0.968 462 S HN 0.497 nan 8.310 nan 0.000 0.568 463 K N 1.022 121.295 120.400 -0.212 0.000 2.052 463 K HA -0.134 4.187 4.320 0.002 0.000 0.215 463 K C 1.100 177.660 176.600 -0.067 0.000 1.053 463 K CA 1.742 57.997 56.287 -0.053 0.000 0.934 463 K CB -0.607 31.904 32.500 0.019 0.000 0.717 463 K HN 0.696 nan 8.250 nan 0.000 0.450 464 E N -0.714 119.416 120.200 -0.117 0.000 2.496 464 E HA 0.262 4.612 4.350 0.002 0.000 0.200 464 E C -0.067 176.460 176.600 -0.122 0.000 1.016 464 E CA 0.137 56.482 56.400 -0.091 0.000 0.962 464 E CB 0.303 29.956 29.700 -0.079 0.000 1.071 464 E HN 0.259 nan 8.360 nan 0.000 0.457 465 A N 1.372 124.108 122.820 -0.141 0.000 2.822 465 A HA -0.315 4.006 4.320 0.002 0.000 0.287 465 A C 1.473 179.000 177.584 -0.095 0.000 1.479 465 A CA 1.623 53.614 52.037 -0.077 0.000 0.779 465 A CB -2.056 16.775 19.000 -0.281 0.000 1.022 465 A HN 0.287 nan 8.150 nan 0.000 0.532 466 K N -1.841 118.416 120.400 -0.239 0.000 2.243 466 K HA 0.191 4.512 4.320 0.002 0.000 0.201 466 K C -0.009 176.228 176.600 -0.604 0.000 1.051 466 K CA 1.178 57.207 56.287 -0.429 0.000 0.970 466 K CB 0.084 32.232 32.500 -0.587 0.000 0.755 466 K HN 0.650 nan 8.250 nan 0.000 0.465 467 Y N -0.913 119.277 120.300 -0.184 0.000 2.581 467 Y HA 0.328 4.879 4.550 0.002 0.000 0.345 467 Y C -1.042 174.734 175.900 -0.207 0.000 1.036 467 Y CA -1.349 56.640 58.100 -0.185 0.000 1.042 467 Y CB 1.722 40.095 38.460 -0.145 0.000 1.289 467 Y HN -0.015 nan 8.280 nan 0.000 0.471 468 Y N -1.014 119.258 120.300 -0.046 0.000 2.552 468 Y HA 0.559 5.110 4.550 0.002 0.000 0.337 468 Y C -1.345 174.559 175.900 0.005 0.000 1.094 468 Y CA -1.378 56.547 58.100 -0.292 0.000 1.028 468 Y CB 1.585 39.348 38.460 -1.162 0.000 1.321 468 Y HN 0.602 nan 8.280 nan 0.000 0.456 469 Q N 3.536 123.458 119.800 0.204 0.000 2.293 469 Q HA 0.600 4.941 4.340 0.002 0.000 0.261 469 Q C -1.869 174.211 176.000 0.132 0.000 0.960 469 Q CA -0.794 55.094 55.803 0.141 0.000 0.882 469 Q CB 1.596 30.383 28.738 0.082 0.000 1.275 469 Q HN 0.969 nan 8.270 nan 0.000 0.445 470 L N 4.023 125.331 121.223 0.142 0.000 2.309 470 L HA 0.550 4.891 4.340 0.002 0.000 0.282 470 L C -0.302 176.639 176.870 0.119 0.000 1.036 470 L CA -0.611 54.308 54.840 0.132 0.000 0.806 470 L CB 1.499 43.612 42.059 0.090 0.000 1.220 470 L HN 0.614 nan 8.230 nan 0.000 0.429 471 R N 2.405 122.960 120.500 0.092 0.000 2.358 471 R HA 0.291 4.632 4.340 0.002 0.000 0.309 471 R C -0.975 175.181 176.300 -0.241 0.000 1.026 471 R CA -0.493 55.508 56.100 -0.165 0.000 0.909 471 R CB 1.482 31.757 30.300 -0.041 0.000 1.153 471 R HN 0.584 nan 8.270 nan 0.000 0.515 472 c N 2.880 121.194 118.600 -0.477 0.000 2.415 472 c HA 0.336 4.907 4.570 0.002 0.000 0.369 472 c C 1.466 175.296 174.090 -0.433 0.000 1.279 472 c CA -0.256 55.668 56.329 -0.675 0.000 1.886 472 c CB -0.026 42.063 42.510 -0.701 0.000 2.468 472 c HN 0.955 nan 8.230 nan 0.000 0.553 473 S N 3.788 119.334 115.700 -0.258 0.000 2.650 473 S HA 0.612 5.083 4.470 0.002 0.000 0.240 473 S C 0.343 174.892 174.600 -0.085 0.000 1.007 473 S CA 0.238 58.358 58.200 -0.133 0.000 0.984 473 S CB -0.000 63.170 63.200 -0.049 0.000 0.910 473 S HN 1.941 nan 8.310 nan 0.000 0.509 474 G N 1.843 110.574 108.800 -0.115 0.000 2.328 474 G HA2 0.370 4.331 3.960 0.002 0.000 0.299 474 G HA3 0.370 4.331 3.960 0.002 0.000 0.299 474 G C -3.003 171.867 174.900 -0.049 0.000 1.435 474 G CA -0.454 44.621 45.100 -0.042 0.000 0.865 474 G HN -0.126 nan 8.290 nan 0.000 0.601 475 P HA 0.114 nan 4.420 nan 0.000 0.229 475 P C 1.275 178.604 177.300 0.047 0.000 1.160 475 P CA 1.392 64.514 63.100 0.037 0.000 0.777 475 P CB 0.385 32.105 31.700 0.033 0.000 0.814 476 G N 0.413 109.174 108.800 -0.064 0.000 2.510 476 G HA2 0.402 4.363 3.960 0.002 0.000 0.280 476 G HA3 0.402 4.363 3.960 0.002 0.000 0.280 476 G C -0.264 174.394 174.900 -0.403 0.000 1.386 476 G CA -0.759 44.236 45.100 -0.175 0.000 1.047 476 G HN 0.037 nan 8.290 nan 0.000 0.527 477 L N 1.217 122.120 121.223 -0.534 0.000 2.453 477 L HA 0.155 4.496 4.340 0.002 0.000 0.272 477 L C -1.886 174.773 176.870 -0.352 0.000 1.182 477 L CA -1.260 53.187 54.840 -0.655 0.000 0.858 477 L CB 0.690 42.469 42.059 -0.467 0.000 1.120 477 L HN 0.234 nan 8.230 nan 0.000 0.474 478 P HA -0.017 nan 4.420 nan 0.000 0.261 478 P C -0.891 176.298 177.300 -0.184 0.000 1.173 478 P CA 0.114 63.092 63.100 -0.203 0.000 0.760 478 P CB 0.480 32.156 31.700 -0.040 0.000 0.783 479 L N 5.671 126.699 121.223 -0.324 0.000 2.409 479 L HA 0.495 4.836 4.340 0.002 0.000 0.272 479 L C -1.707 174.967 176.870 -0.327 0.000 0.980 479 L CA -0.740 53.981 54.840 -0.198 0.000 0.826 479 L CB 0.979 42.951 42.059 -0.146 0.000 1.268 479 L HN 0.220 nan 8.230 nan 0.000 0.407 480 Y N 2.809 123.063 120.300 -0.077 0.000 2.335 480 Y HA 0.752 5.303 4.550 0.002 0.000 0.338 480 Y C 0.513 176.304 175.900 -0.182 0.000 0.977 480 Y CA -0.541 57.495 58.100 -0.106 0.000 1.114 480 Y CB 2.036 40.414 38.460 -0.136 0.000 1.182 480 Y HN 0.690 nan 8.280 nan 0.000 0.463 481 T N 0.958 115.514 114.554 0.004 0.000 2.901 481 T HA 0.734 5.085 4.350 0.002 0.000 0.293 481 T C -1.220 173.414 174.700 -0.110 0.000 1.084 481 T CA -0.974 61.071 62.100 -0.092 0.000 1.008 481 T CB 1.724 70.582 68.868 -0.017 0.000 1.170 481 T HN 0.529 nan 8.240 nan 0.000 0.509 482 L N 1.369 122.400 121.223 -0.320 0.000 2.346 482 L HA 0.665 5.006 4.340 0.002 0.000 0.274 482 L C -1.049 175.484 176.870 -0.562 0.000 1.007 482 L CA -0.824 53.860 54.840 -0.262 0.000 0.818 482 L CB 1.729 43.652 42.059 -0.227 0.000 1.284 482 L HN 0.891 nan 8.230 nan 0.000 0.424 483 H N -0.156 118.666 119.070 -0.412 0.000 2.980 483 H HA 0.420 4.977 4.556 0.002 0.000 0.367 483 H C -0.699 174.399 175.328 -0.383 0.000 1.206 483 H CA -0.805 54.922 56.048 -0.535 0.000 1.126 483 H CB 1.963 31.104 29.762 -1.036 0.000 1.838 483 H HN 0.434 nan 8.280 nan 0.000 0.552 484 S N -0.019 115.646 115.700 -0.059 0.000 2.449 484 S HA 0.286 4.757 4.470 0.002 0.000 0.310 484 S C 0.373 174.964 174.600 -0.015 0.000 1.096 484 S CA -0.715 57.498 58.200 0.021 0.000 1.095 484 S CB 1.646 64.899 63.200 0.089 0.000 1.007 484 S HN 0.560 nan 8.310 nan 0.000 0.474 485 S N 2.209 117.917 115.700 0.013 0.000 2.399 485 S HA -0.120 4.351 4.470 0.002 0.000 0.231 485 S C 1.902 176.548 174.600 0.077 0.000 1.022 485 S CA 1.002 59.298 58.200 0.161 0.000 0.983 485 S CB -0.463 62.818 63.200 0.135 0.000 0.803 485 S HN 0.698 nan 8.310 nan 0.000 0.480 486 V N 2.312 122.223 119.914 -0.005 0.000 2.317 486 V HA -0.258 3.863 4.120 0.002 0.000 0.251 486 V C 1.014 177.121 176.094 0.023 0.000 1.065 486 V CA 2.239 64.543 62.300 0.008 0.000 1.049 486 V CB -0.413 31.399 31.823 -0.018 0.000 0.651 486 V HN 0.574 nan 8.190 nan 0.000 0.450 487 N N -1.787 116.925 118.700 0.020 0.000 2.143 487 N HA 0.145 4.886 4.740 0.002 0.000 0.222 487 N C -0.475 175.050 175.510 0.024 0.000 1.264 487 N CA 0.425 53.484 53.050 0.016 0.000 0.897 487 N CB 0.763 39.258 38.487 0.012 0.000 1.092 487 N HN 0.325 nan 8.380 nan 0.000 0.516 488 D N 1.167 121.603 120.400 0.060 0.000 2.800 488 D HA -0.151 4.490 4.640 0.002 0.000 0.232 488 D C -0.532 175.809 176.300 0.069 0.000 1.137 488 D CA 1.061 55.124 54.000 0.105 0.000 0.718 488 D CB -0.890 39.955 40.800 0.075 0.000 1.084 488 D HN 0.391 nan 8.370 nan 0.000 0.432 489 K N 0.323 120.741 120.400 0.030 0.000 2.270 489 K HA 0.403 4.724 4.320 0.002 0.000 0.276 489 K C 1.063 177.632 176.600 -0.051 0.000 1.023 489 K CA -0.023 56.264 56.287 -0.001 0.000 0.955 489 K CB 0.985 33.478 32.500 -0.012 0.000 0.975 489 K HN 0.111 nan 8.250 nan 0.000 0.471 490 G N 2.863 111.605 108.800 -0.098 0.000 2.349 490 G HA2 0.167 4.128 3.960 0.002 0.000 0.281 490 G HA3 0.167 4.128 3.960 0.002 0.000 0.281 490 G C 0.763 175.498 174.900 -0.276 0.000 1.182 490 G CA -0.414 44.486 45.100 -0.333 0.000 0.899 490 G HN 0.573 nan 8.290 nan 0.000 0.455 491 L N 1.787 122.803 121.223 -0.345 0.000 2.102 491 L HA 0.284 4.625 4.340 0.002 0.000 0.202 491 L C 1.549 178.302 176.870 -0.195 0.000 1.076 491 L CA 0.831 55.545 54.840 -0.210 0.000 0.761 491 L CB -0.201 41.746 42.059 -0.187 0.000 0.921 491 L HN 0.766 nan 8.230 nan 0.000 0.444 492 R N -2.501 117.843 120.500 -0.260 0.000 3.033 492 R HA 0.338 4.679 4.340 0.002 0.000 0.284 492 R C -1.594 174.564 176.300 -0.237 0.000 0.997 492 R CA -0.942 55.036 56.100 -0.203 0.000 0.851 492 R CB 0.971 31.182 30.300 -0.149 0.000 1.297 492 R HN -0.299 nan 8.270 nan 0.000 0.518 493 V N 2.700 122.504 119.914 -0.183 0.000 2.530 493 V HA 0.171 4.292 4.120 0.002 0.000 0.282 493 V C 1.259 177.209 176.094 -0.240 0.000 1.048 493 V CA -0.305 61.889 62.300 -0.176 0.000 0.997 493 V CB 1.162 32.919 31.823 -0.110 0.000 0.987 493 V HN 0.636 nan 8.190 nan 0.000 0.477 494 L N 2.357 123.374 121.223 -0.343 0.000 2.221 494 L HA 0.319 4.660 4.340 0.002 0.000 0.202 494 L C 0.671 177.312 176.870 -0.381 0.000 1.074 494 L CA 0.631 55.082 54.840 -0.648 0.000 0.795 494 L CB 0.255 41.531 42.059 -1.305 0.000 0.960 494 L HN 0.705 nan 8.230 nan 0.000 0.458 495 E N -0.073 120.039 120.200 -0.146 0.000 2.343 495 E HA 0.108 4.459 4.350 0.002 0.000 0.286 495 E C -1.313 175.345 176.600 0.097 0.000 0.915 495 E CA -0.377 56.039 56.400 0.028 0.000 0.784 495 E CB 1.192 30.937 29.700 0.074 0.000 1.251 495 E HN 0.160 nan 8.360 nan 0.000 0.407 496 D N 2.973 123.402 120.400 0.047 0.000 2.469 496 D HA 0.150 4.791 4.640 0.002 0.000 0.215 496 D C -0.380 175.926 176.300 0.010 0.000 1.154 496 D CA -0.311 53.701 54.000 0.019 0.000 0.832 496 D CB -0.087 40.704 40.800 -0.015 0.000 1.008 496 D HN 0.446 nan 8.370 nan 0.000 0.506 497 N N 0.703 119.428 118.700 0.042 0.000 2.716 497 N HA -0.212 4.529 4.740 0.002 0.000 0.250 497 N C 0.930 176.442 175.510 0.002 0.000 1.033 497 N CA 0.931 53.998 53.050 0.028 0.000 0.727 497 N CB -1.154 37.337 38.487 0.006 0.000 0.950 497 N HN 0.515 nan 8.380 nan 0.000 0.541 498 S N -1.212 114.493 115.700 0.008 0.000 2.402 498 S HA 0.007 4.478 4.470 0.002 0.000 0.229 498 S C 2.088 176.699 174.600 0.018 0.000 1.021 498 S CA 0.778 58.980 58.200 0.003 0.000 0.974 498 S CB -0.052 63.150 63.200 0.004 0.000 0.800 498 S HN 0.503 nan 8.310 nan 0.000 0.484 499 A N 1.983 124.823 122.820 0.034 0.000 1.902 499 A HA 0.069 4.390 4.320 0.002 0.000 0.217 499 A C 2.219 179.843 177.584 0.067 0.000 1.181 499 A CA 1.590 53.657 52.037 0.050 0.000 0.623 499 A CB -0.874 18.160 19.000 0.057 0.000 0.818 499 A HN 0.522 nan 8.150 nan 0.000 0.443 500 L N 0.178 121.442 121.223 0.068 0.000 2.141 500 L HA -0.104 4.237 4.340 0.002 0.000 0.209 500 L C 1.822 178.720 176.870 0.047 0.000 1.094 500 L CA 2.633 57.528 54.840 0.093 0.000 0.763 500 L CB -0.607 41.505 42.059 0.089 0.000 0.908 500 L HN 0.501 nan 8.230 nan 0.000 0.437 501 D N -0.929 119.474 120.400 0.006 0.000 2.097 501 D HA -0.199 4.442 4.640 0.002 0.000 0.195 501 D C 1.985 178.286 176.300 0.002 0.000 0.989 501 D CA 1.158 55.145 54.000 -0.021 0.000 0.827 501 D CB 0.143 40.922 40.800 -0.036 0.000 0.966 501 D HN 0.096 nan 8.370 nan 0.000 0.456 502 K N -0.025 120.388 120.400 0.022 0.000 2.057 502 K HA -0.130 4.191 4.320 0.002 0.000 0.207 502 K C 2.239 178.870 176.600 0.052 0.000 1.049 502 K CA 0.792 57.099 56.287 0.033 0.000 0.931 502 K CB -0.576 31.947 32.500 0.039 0.000 0.714 502 K HN 0.365 nan 8.250 nan 0.000 0.440 503 M N 0.399 120.049 119.600 0.083 0.000 2.086 503 M HA -0.113 4.368 4.480 0.002 0.000 0.261 503 M C 1.978 178.316 176.300 0.065 0.000 1.067 503 M CA 1.373 56.758 55.300 0.142 0.000 1.116 503 M CB -0.079 32.680 32.600 0.265 0.000 1.348 503 M HN 0.018 nan 8.290 nan 0.000 0.407 504 L N 0.052 121.260 121.223 -0.026 0.000 2.362 504 L HA -0.183 4.158 4.340 0.002 0.000 0.219 504 L C 2.359 179.192 176.870 -0.062 0.000 1.134 504 L CA 0.725 55.489 54.840 -0.127 0.000 0.807 504 L CB -0.635 41.355 42.059 -0.116 0.000 0.927 504 L HN 0.492 nan 8.230 nan 0.000 0.447 505 Q N -1.084 118.705 119.800 -0.017 0.000 2.482 505 Q HA -0.070 4.271 4.340 0.002 0.000 0.209 505 Q C 0.760 176.768 176.000 0.013 0.000 0.961 505 Q CA 0.643 56.443 55.803 -0.004 0.000 0.945 505 Q CB -0.142 28.599 28.738 0.004 0.000 1.012 505 Q HN 0.483 nan 8.270 nan 0.000 0.515 506 N N 0.774 119.488 118.700 0.024 0.000 2.235 506 N HA 0.126 4.867 4.740 0.002 0.000 0.209 506 N C -0.864 174.678 175.510 0.054 0.000 1.122 506 N CA 0.126 53.206 53.050 0.050 0.000 0.845 506 N CB 1.808 40.341 38.487 0.076 0.000 1.004 506 N HN 0.099 nan 8.380 nan 0.000 0.499 507 V N 0.873 120.797 119.914 0.017 0.000 2.841 507 V HA 0.237 4.358 4.120 0.002 0.000 0.310 507 V C -1.023 175.071 176.094 0.000 0.000 1.090 507 V CA -0.736 61.578 62.300 0.023 0.000 0.930 507 V CB 2.364 34.177 31.823 -0.016 0.000 1.014 507 V HN -0.001 nan 8.190 nan 0.000 0.425 508 Q N 6.366 126.178 119.800 0.021 0.000 2.513 508 Q HA 0.303 4.644 4.340 0.002 0.000 0.227 508 Q C -0.416 175.557 176.000 -0.044 0.000 1.257 508 Q CA -0.078 55.707 55.803 -0.030 0.000 0.915 508 Q CB 0.463 29.197 28.738 -0.007 0.000 1.507 508 Q HN 0.582 nan 8.270 nan 0.000 0.543 509 M N 3.876 123.433 119.600 -0.073 0.000 2.250 509 M HA 0.353 4.834 4.480 0.002 0.000 0.344 509 M C -1.940 174.294 176.300 -0.111 0.000 1.150 509 M CA -2.483 52.766 55.300 -0.085 0.000 1.147 509 M CB 0.144 32.693 32.600 -0.085 0.000 1.498 509 M HN 0.306 nan 8.290 nan 0.000 0.461 510 P HA 0.238 nan 4.420 nan 0.000 0.276 510 P C -0.824 176.394 177.300 -0.137 0.000 1.261 510 P CA -0.331 62.685 63.100 -0.139 0.000 0.800 510 P CB 0.648 32.256 31.700 -0.154 0.000 1.066 511 S N -0.768 114.839 115.700 -0.155 0.000 2.648 511 S HA 0.614 5.085 4.470 0.002 0.000 0.305 511 S C -0.579 173.923 174.600 -0.162 0.000 1.094 511 S CA -0.818 57.301 58.200 -0.136 0.000 0.983 511 S CB 1.856 64.977 63.200 -0.132 0.000 1.101 511 S HN 0.508 nan 8.310 nan 0.000 0.514 512 K N 0.589 120.917 120.400 -0.121 0.000 2.376 512 K HA 0.426 4.747 4.320 0.002 0.000 0.257 512 K C -1.267 175.273 176.600 -0.099 0.000 0.939 512 K CA -0.536 55.683 56.287 -0.113 0.000 0.809 512 K CB 1.307 33.761 32.500 -0.077 0.000 1.121 512 K HN 0.728 nan 8.250 nan 0.000 0.425 513 K N 5.697 126.027 120.400 -0.116 0.000 2.307 513 K HA 0.327 4.648 4.320 0.002 0.000 0.263 513 K C -1.400 175.154 176.600 -0.078 0.000 0.973 513 K CA -0.675 55.553 56.287 -0.098 0.000 0.846 513 K CB 0.983 33.402 32.500 -0.135 0.000 1.100 513 K HN 0.565 nan 8.250 nan 0.000 0.438 514 L N 4.524 125.721 121.223 -0.044 0.000 2.319 514 L HA 0.452 4.793 4.340 0.002 0.000 0.281 514 L C -1.195 175.678 176.870 0.006 0.000 1.005 514 L CA -0.192 54.655 54.840 0.011 0.000 0.828 514 L CB 1.322 43.453 42.059 0.121 0.000 1.227 514 L HN 0.887 nan 8.230 nan 0.000 0.415 515 D N 2.964 123.210 120.400 -0.256 0.000 2.946 515 D HA 0.503 5.144 4.640 0.002 0.000 0.337 515 D C -1.534 174.446 176.300 -0.532 0.000 1.332 515 D CA 0.004 53.787 54.000 -0.360 0.000 0.935 515 D CB 1.875 42.428 40.800 -0.412 0.000 1.440 515 D HN 0.210 nan 8.370 nan 0.000 0.540 516 F N -0.282 119.347 119.950 -0.535 0.000 2.643 516 F HA 0.732 5.260 4.527 0.002 0.000 0.314 516 F C -0.800 175.078 175.800 0.131 0.000 1.096 516 F CA -1.031 56.771 58.000 -0.330 0.000 0.953 516 F CB 0.792 39.120 39.000 -1.120 0.000 1.345 516 F HN 0.356 nan 8.300 nan 0.000 0.468 517 I N -0.522 120.309 120.570 0.434 0.000 3.264 517 I HA 0.741 4.912 4.170 0.002 0.000 0.309 517 I C -1.443 174.913 176.117 0.399 0.000 1.099 517 I CA -1.403 60.076 61.300 0.298 0.000 0.989 517 I CB 2.557 40.712 38.000 0.257 0.000 1.250 517 I HN 0.648 nan 8.210 nan 0.000 0.478 518 I N 3.092 123.827 120.570 0.276 0.000 2.439 518 I HA 0.370 4.540 4.170 0.002 0.000 0.283 518 I C -0.931 175.330 176.117 0.241 0.000 1.023 518 I CA -0.366 61.103 61.300 0.282 0.000 1.100 518 I CB 1.746 39.868 38.000 0.205 0.000 1.238 518 I HN 0.358 nan 8.210 nan 0.000 0.445 519 L N 7.029 128.467 121.223 0.358 0.000 2.282 519 L HA 0.372 4.713 4.340 0.002 0.000 0.288 519 L C 0.097 177.102 176.870 0.224 0.000 1.033 519 L CA -0.928 54.059 54.840 0.244 0.000 0.807 519 L CB 1.012 43.189 42.059 0.197 0.000 1.209 519 L HN 0.720 nan 8.230 nan 0.000 0.423 520 N N 4.576 123.346 118.700 0.117 0.000 2.843 520 N HA -0.287 4.454 4.740 0.002 0.000 0.303 520 N C 0.229 175.795 175.510 0.093 0.000 1.092 520 N CA 0.864 53.963 53.050 0.083 0.000 0.802 520 N CB -0.455 38.060 38.487 0.048 0.000 0.984 520 N HN 0.836 nan 8.380 nan 0.000 0.595 521 E N -3.306 116.943 120.200 0.082 0.000 4.851 521 E HA -0.188 4.163 4.350 0.002 0.000 0.191 521 E C -0.266 176.364 176.600 0.049 0.000 0.953 521 E CA 2.110 58.545 56.400 0.059 0.000 2.275 521 E CB -1.565 28.158 29.700 0.038 0.000 1.723 521 E HN 0.760 nan 8.360 nan 0.000 0.514 522 T N 2.952 117.550 114.554 0.072 0.000 2.907 522 T HA 0.419 4.770 4.350 0.002 0.000 0.284 522 T C 0.310 174.965 174.700 -0.075 0.000 1.004 522 T CA -0.547 61.516 62.100 -0.060 0.000 1.063 522 T CB 1.707 70.467 68.868 -0.181 0.000 0.992 522 T HN 0.136 nan 8.240 nan 0.000 0.483 523 K N 1.911 122.168 120.400 -0.238 0.000 2.156 523 K HA 0.536 4.857 4.320 0.002 0.000 0.271 523 K C -1.484 174.905 176.600 -0.352 0.000 0.995 523 K CA -0.557 55.645 56.287 -0.142 0.000 0.890 523 K CB 0.828 33.110 32.500 -0.363 0.000 1.073 523 K HN 0.389 nan 8.250 nan 0.000 0.454 524 F N 1.690 121.738 119.950 0.164 0.000 2.518 524 F HA 0.331 4.859 4.527 0.002 0.000 0.323 524 F C -0.701 175.230 175.800 0.218 0.000 1.129 524 F CA -0.773 57.319 58.000 0.155 0.000 0.920 524 F CB 1.055 40.125 39.000 0.117 0.000 1.160 524 F HN 0.539 nan 8.300 nan 0.000 0.440 525 W N 3.517 124.974 121.300 0.261 0.000 2.184 525 W HA 0.471 5.132 4.660 0.001 0.000 0.338 525 W C -0.458 176.287 176.519 0.378 0.000 1.257 525 W CA -0.414 57.111 57.345 0.300 0.000 1.243 525 W CB 0.328 29.880 29.460 0.153 0.000 1.122 525 W HN 0.465 nan 8.180 nan 0.000 0.585 526 Y N -0.765 119.885 120.300 0.584 0.000 2.625 526 Y HA 0.631 5.182 4.550 0.002 0.000 0.338 526 Y C -1.098 175.030 175.900 0.380 0.000 1.123 526 Y CA -1.919 56.512 58.100 0.552 0.000 1.046 526 Y CB 1.065 40.006 38.460 0.801 0.000 1.299 526 Y HN 0.564 nan 8.280 nan 0.000 0.464 527 Q N 2.109 122.146 119.800 0.395 0.000 2.421 527 Q HA 0.781 5.122 4.340 0.002 0.000 0.280 527 Q C -1.849 174.264 176.000 0.188 0.000 1.085 527 Q CA -1.191 54.717 55.803 0.173 0.000 0.807 527 Q CB 3.402 32.215 28.738 0.124 0.000 1.405 527 Q HN 0.845 nan 8.270 nan 0.000 0.419 528 M N 2.484 122.115 119.600 0.051 0.000 2.267 528 M HA 0.421 4.902 4.480 0.002 0.000 0.289 528 M C -1.219 175.001 176.300 -0.133 0.000 1.043 528 M CA -0.902 54.367 55.300 -0.051 0.000 0.928 528 M CB 2.213 34.737 32.600 -0.127 0.000 1.613 528 M HN 0.602 nan 8.290 nan 0.000 0.450 529 I N 5.152 125.648 120.570 -0.124 0.000 2.294 529 I HA 0.289 4.460 4.170 0.002 0.000 0.295 529 I C -0.273 175.701 176.117 -0.238 0.000 1.098 529 I CA -0.145 61.059 61.300 -0.161 0.000 1.277 529 I CB -0.185 37.742 38.000 -0.122 0.000 1.434 529 I HN 0.644 nan 8.210 nan 0.000 0.498 530 L N 8.476 129.503 121.223 -0.326 0.000 2.312 530 L HA 0.393 4.734 4.340 0.002 0.000 0.281 530 L C -2.103 174.598 176.870 -0.282 0.000 1.070 530 L CA -1.742 52.820 54.840 -0.464 0.000 0.805 530 L CB 0.785 42.385 42.059 -0.766 0.000 1.174 530 L HN 0.249 nan 8.230 nan 0.000 0.434 531 P HA 0.086 nan 4.420 nan 0.000 0.270 531 P C -2.475 174.802 177.300 -0.038 0.000 1.223 531 P CA -0.870 62.186 63.100 -0.073 0.000 0.785 531 P CB -0.062 31.661 31.700 0.039 0.000 0.923 532 P HA 0.021 nan 4.420 nan 0.000 0.269 532 P C -0.600 176.651 177.300 -0.081 0.000 1.209 532 P CA 0.441 63.432 63.100 -0.183 0.000 0.776 532 P CB -0.225 31.314 31.700 -0.268 0.000 0.876 533 H N -1.639 117.471 119.070 0.068 0.000 2.839 533 H HA -0.212 4.345 4.556 0.002 0.000 0.298 533 H C -0.022 175.372 175.328 0.109 0.000 1.224 533 H CA -0.368 55.723 56.048 0.071 0.000 1.144 533 H CB -2.259 27.535 29.762 0.054 0.000 1.372 533 H HN 0.317 nan 8.280 nan 0.000 0.408 534 F N 2.277 122.233 119.950 0.009 0.000 2.623 534 F HA 0.074 4.602 4.527 0.001 0.000 0.383 534 F C 0.616 176.431 175.800 0.025 0.000 1.077 534 F CA 0.130 58.091 58.000 -0.066 0.000 1.268 534 F CB 0.504 39.355 39.000 -0.250 0.000 1.053 534 F HN 0.288 nan 8.300 nan 0.000 0.571 535 D N 5.921 125.953 120.400 -0.613 0.000 2.420 535 D HA 0.116 4.757 4.640 0.002 0.000 0.255 535 D C 0.615 176.511 176.300 -0.674 0.000 1.185 535 D CA -0.554 53.183 54.000 -0.439 0.000 0.904 535 D CB 0.873 41.588 40.800 -0.141 0.000 1.102 535 D HN 0.682 nan 8.370 nan 0.000 0.534 536 K N 1.068 121.047 120.400 -0.701 0.000 2.442 536 K HA -0.146 4.175 4.320 0.002 0.000 0.200 536 K C 1.310 177.890 176.600 -0.033 0.000 1.045 536 K CA 1.030 57.115 56.287 -0.336 0.000 0.937 536 K CB 0.099 32.586 32.500 -0.022 0.000 0.757 536 K HN 0.108 nan 8.250 nan 0.000 0.474 537 S N 0.201 115.850 115.700 -0.086 0.000 2.425 537 S HA 0.020 4.491 4.470 0.002 0.000 0.225 537 S C 0.652 175.231 174.600 -0.035 0.000 1.024 537 S CA 0.021 58.201 58.200 -0.033 0.000 0.951 537 S CB 0.059 63.228 63.200 -0.051 0.000 0.796 537 S HN 0.360 nan 8.310 nan 0.000 0.498 538 K N 1.193 121.548 120.400 -0.074 0.000 2.138 538 K HA 0.212 4.533 4.320 0.002 0.000 0.251 538 K C -0.635 175.929 176.600 -0.061 0.000 1.015 538 K CA -0.133 56.056 56.287 -0.163 0.000 0.917 538 K CB 0.458 32.717 32.500 -0.402 0.000 1.021 538 K HN 0.036 nan 8.250 nan 0.000 0.485 539 K N 3.021 123.323 120.400 -0.164 0.000 2.389 539 K HA 0.195 4.516 4.320 0.002 0.000 0.261 539 K C -1.326 175.215 176.600 -0.099 0.000 1.014 539 K CA -0.484 55.789 56.287 -0.023 0.000 0.920 539 K CB 0.832 33.302 32.500 -0.050 0.000 1.149 539 K HN 0.372 nan 8.250 nan 0.000 0.444 540 Y N 2.768 123.095 120.300 0.045 0.000 2.376 540 Y HA 0.288 4.839 4.550 0.002 0.000 0.325 540 Y C -1.863 173.971 175.900 -0.110 0.000 1.199 540 Y CA -2.680 55.417 58.100 -0.004 0.000 1.206 540 Y CB 0.304 38.822 38.460 0.095 0.000 1.229 540 Y HN 0.457 nan 8.280 nan 0.000 0.480 541 P HA 0.245 nan 4.420 nan 0.000 0.277 541 P C -1.153 175.963 177.300 -0.307 0.000 1.240 541 P CA -0.267 62.519 63.100 -0.523 0.000 0.798 541 P CB 1.724 32.723 31.700 -1.167 0.000 0.979 542 L N 2.507 123.600 121.223 -0.217 0.000 2.386 542 L HA 0.541 4.882 4.340 0.002 0.000 0.271 542 L C -1.252 175.814 176.870 0.326 0.000 0.993 542 L CA -1.077 53.807 54.840 0.074 0.000 0.819 542 L CB 1.776 43.889 42.059 0.091 0.000 1.294 542 L HN 0.255 nan 8.230 nan 0.000 0.414 543 L N 5.454 126.889 121.223 0.354 0.000 2.319 543 L HA 0.418 4.759 4.340 0.002 0.000 0.281 543 L C -1.168 175.954 176.870 0.421 0.000 1.005 543 L CA -0.878 54.233 54.840 0.451 0.000 0.828 543 L CB 1.774 44.056 42.059 0.371 0.000 1.227 543 L HN 0.599 nan 8.230 nan 0.000 0.415 544 L N 5.265 126.782 121.223 0.490 0.000 2.295 544 L HA 0.278 4.619 4.340 0.002 0.000 0.288 544 L C -0.123 176.998 176.870 0.419 0.000 1.079 544 L CA 0.077 55.190 54.840 0.456 0.000 0.830 544 L CB 0.604 42.971 42.059 0.513 0.000 1.200 544 L HN 0.458 nan 8.230 nan 0.000 0.438 545 D N 4.324 124.953 120.400 0.383 0.000 2.336 545 D HA 0.190 4.831 4.640 0.002 0.000 0.249 545 D C -0.922 175.469 176.300 0.151 0.000 1.213 545 D CA 0.176 54.327 54.000 0.251 0.000 0.870 545 D CB 1.170 42.184 40.800 0.356 0.000 1.076 545 D HN 0.316 nan 8.370 nan 0.000 0.483 546 V N 5.561 125.485 119.914 0.017 0.000 2.823 546 V HA 0.429 4.550 4.120 0.002 0.000 0.312 546 V C -1.020 175.166 176.094 0.154 0.000 1.072 546 V CA -0.477 61.897 62.300 0.124 0.000 0.937 546 V CB 1.808 33.710 31.823 0.132 0.000 1.013 546 V HN 0.644 nan 8.190 nan 0.000 0.430 547 Y N 4.939 125.311 120.300 0.121 0.000 3.183 547 Y HA 0.579 5.130 4.550 0.002 0.000 0.200 547 Y C 1.554 177.601 175.900 0.246 0.000 0.912 547 Y CA 1.479 59.680 58.100 0.168 0.000 1.642 547 Y CB 0.081 38.622 38.460 0.135 0.000 1.447 547 Y HN 1.156 nan 8.280 nan 0.000 0.421 548 A N 0.703 123.623 122.820 0.167 0.000 2.899 548 A HA -0.155 4.166 4.320 0.002 0.000 0.257 548 A C 1.024 178.452 177.584 -0.261 0.000 1.335 548 A CA 0.978 53.056 52.037 0.068 0.000 0.924 548 A CB -2.480 16.623 19.000 0.172 0.000 1.105 548 A HN 0.984 nan 8.150 nan 0.000 0.765 549 G N -0.354 108.028 108.800 -0.696 0.000 2.667 549 G HA2 0.471 4.432 3.960 0.002 0.000 0.250 549 G HA3 0.471 4.432 3.960 0.002 0.000 0.250 549 G C -1.788 172.776 174.900 -0.559 0.000 1.212 549 G CA -0.480 43.823 45.100 -1.327 0.000 0.874 549 G HN 0.447 nan 8.290 nan 0.000 0.561 550 P HA 0.040 nan 4.420 nan 0.000 0.267 550 P C 0.535 177.689 177.300 -0.243 0.000 1.209 550 P CA 0.244 63.064 63.100 -0.466 0.000 0.763 550 P CB 0.745 31.800 31.700 -1.076 0.000 0.816 551 C N 2.441 121.670 119.300 -0.117 0.000 4.507 551 C HA -0.132 4.329 4.460 0.002 0.000 0.285 551 C C 0.933 175.955 174.990 0.052 0.000 1.335 551 C CA 1.075 59.999 59.018 -0.156 0.000 1.953 551 C CB -2.628 24.886 27.740 -0.377 0.000 1.262 551 C HN 0.816 nan 8.230 nan 0.000 0.776 552 S N 0.005 115.796 115.700 0.150 0.000 2.672 552 S HA 0.676 5.147 4.470 0.002 0.000 0.276 552 S C -0.691 174.086 174.600 0.295 0.000 1.207 552 S CA -0.067 58.321 58.200 0.313 0.000 1.002 552 S CB 1.801 65.260 63.200 0.432 0.000 0.998 552 S HN 0.811 nan 8.310 nan 0.000 0.542 553 Q N -0.027 119.969 119.800 0.326 0.000 2.309 553 Q HA 0.353 4.694 4.340 0.002 0.000 0.254 553 Q C -0.823 175.308 176.000 0.218 0.000 0.938 553 Q CA -0.557 55.420 55.803 0.289 0.000 0.789 553 Q CB 1.043 29.998 28.738 0.361 0.000 1.313 553 Q HN 0.686 nan 8.270 nan 0.000 0.438 554 K N 0.981 121.508 120.400 0.213 0.000 2.358 554 K HA 0.343 4.664 4.320 0.002 0.000 0.200 554 K C -0.470 176.239 176.600 0.182 0.000 1.030 554 K CA 0.231 56.633 56.287 0.191 0.000 1.097 554 K CB 1.570 34.212 32.500 0.237 0.000 0.862 554 K HN 0.474 nan 8.250 nan 0.000 0.534 555 A N 2.634 125.567 122.820 0.189 0.000 2.328 555 A HA 0.445 4.766 4.320 0.002 0.000 0.318 555 A C -0.857 176.795 177.584 0.114 0.000 1.347 555 A CA -0.572 51.578 52.037 0.189 0.000 0.842 555 A CB 0.159 19.333 19.000 0.291 0.000 1.148 555 A HN 0.227 nan 8.150 nan 0.000 0.499 556 D N -0.152 120.287 120.400 0.065 0.000 2.744 556 D HA 0.458 5.099 4.640 0.002 0.000 0.304 556 D C 0.432 176.731 176.300 -0.002 0.000 1.179 556 D CA 0.266 54.284 54.000 0.030 0.000 1.024 556 D CB 0.382 41.188 40.800 0.010 0.000 1.453 556 D HN 0.151 nan 8.370 nan 0.000 0.529 557 T N -2.301 112.259 114.554 0.010 0.000 3.186 557 T HA 0.324 4.675 4.350 0.002 0.000 0.257 557 T C 0.321 174.967 174.700 -0.090 0.000 1.029 557 T CA -0.415 61.689 62.100 0.007 0.000 0.916 557 T CB -0.733 68.188 68.868 0.089 0.000 1.041 557 T HN 0.260 nan 8.240 nan 0.000 0.562 558 V N 2.560 122.314 119.914 -0.266 0.000 2.614 558 V HA 0.337 4.457 4.120 0.002 0.000 0.291 558 V C 0.124 176.150 176.094 -0.113 0.000 1.049 558 V CA -0.987 61.120 62.300 -0.322 0.000 1.038 558 V CB 0.134 31.646 31.823 -0.517 0.000 0.980 558 V HN 0.576 nan 8.190 nan 0.000 0.481 559 F N 6.371 126.217 119.950 -0.173 0.000 2.427 559 F HA 0.585 5.113 4.527 0.001 0.000 0.352 559 F C 0.474 176.216 175.800 -0.098 0.000 1.100 559 F CA -0.141 57.787 58.000 -0.120 0.000 1.191 559 F CB 0.291 39.229 39.000 -0.103 0.000 1.128 559 F HN 0.438 nan 8.300 nan 0.000 0.533 560 R N 5.462 125.446 120.500 -0.860 0.000 2.698 560 R HA 0.575 4.916 4.340 0.002 0.000 0.275 560 R C -2.023 173.847 176.300 -0.716 0.000 1.001 560 R CA -1.239 54.510 56.100 -0.585 0.000 0.896 560 R CB 1.930 32.066 30.300 -0.273 0.000 1.218 560 R HN 0.475 nan 8.270 nan 0.000 0.462 561 L N 3.776 124.773 121.223 -0.377 0.000 2.366 561 L HA 0.361 4.702 4.340 0.002 0.000 0.266 561 L C -0.864 175.999 176.870 -0.012 0.000 1.010 561 L CA -0.451 54.222 54.840 -0.279 0.000 0.879 561 L CB 0.531 42.552 42.059 -0.064 0.000 1.228 561 L HN 0.746 nan 8.230 nan 0.000 0.439 562 N N 0.088 118.717 118.700 -0.118 0.000 3.479 562 N HA 0.202 4.943 4.740 0.002 0.000 0.336 562 N C 0.489 175.690 175.510 -0.516 0.000 1.623 562 N CA -0.794 52.123 53.050 -0.222 0.000 0.759 562 N CB -0.063 38.386 38.487 -0.062 0.000 2.016 562 N HN 0.196 nan 8.380 nan 0.000 0.637 563 W N 0.553 121.260 121.300 -0.987 0.000 2.338 563 W HA 0.137 4.798 4.660 0.001 0.000 0.304 563 W C 2.066 178.529 176.519 -0.094 0.000 1.212 563 W CA 2.796 59.779 57.345 -0.605 0.000 1.264 563 W CB -1.006 28.248 29.460 -0.342 0.000 1.142 563 W HN 0.693 nan 8.180 nan 0.000 0.512 564 A N -0.583 122.214 122.820 -0.037 0.000 1.933 564 A HA -0.208 4.113 4.320 0.002 0.000 0.218 564 A C 1.952 179.435 177.584 -0.167 0.000 1.175 564 A CA 2.473 54.433 52.037 -0.128 0.000 0.628 564 A CB -1.278 17.732 19.000 0.015 0.000 0.814 564 A HN 0.292 nan 8.150 nan 0.000 0.444 565 T N -1.196 113.272 114.554 -0.143 0.000 2.684 565 T HA -0.210 4.141 4.350 0.002 0.000 0.267 565 T C 1.813 176.526 174.700 0.022 0.000 1.036 565 T CA 1.789 63.783 62.100 -0.176 0.000 1.148 565 T CB -0.497 68.103 68.868 -0.446 0.000 0.863 565 T HN 0.678 nan 8.240 nan 0.000 0.436 566 Y N 2.125 122.491 120.300 0.109 0.000 2.145 566 Y HA -0.060 4.491 4.550 0.001 0.000 0.286 566 Y C 1.989 177.864 175.900 -0.041 0.000 1.145 566 Y CA 0.988 59.185 58.100 0.162 0.000 1.148 566 Y CB -0.819 37.719 38.460 0.130 0.000 0.981 566 Y HN 0.122 nan 8.280 nan 0.000 0.507 567 L N 0.142 120.923 121.223 -0.736 0.000 2.079 567 L HA -0.249 4.092 4.340 0.002 0.000 0.210 567 L C 2.766 179.373 176.870 -0.438 0.000 1.081 567 L CA 1.392 55.741 54.840 -0.819 0.000 0.752 567 L CB -0.975 40.658 42.059 -0.710 0.000 0.896 567 L HN 0.446 nan 8.230 nan 0.000 0.433 568 A N -1.321 121.331 122.820 -0.280 0.000 1.878 568 A HA -0.146 4.175 4.320 0.002 0.000 0.213 568 A C 2.498 180.014 177.584 -0.113 0.000 1.192 568 A CA 1.476 53.413 52.037 -0.168 0.000 0.619 568 A CB -0.556 18.349 19.000 -0.159 0.000 0.837 568 A HN 0.308 nan 8.150 nan 0.000 0.446 569 S N -0.869 114.780 115.700 -0.086 0.000 2.348 569 S HA -0.129 4.342 4.470 0.002 0.000 0.221 569 S C 1.988 176.595 174.600 0.012 0.000 1.033 569 S CA 2.369 60.565 58.200 -0.007 0.000 1.010 569 S CB -0.430 62.825 63.200 0.091 0.000 0.891 569 S HN 0.569 nan 8.310 nan 0.000 0.442 570 T N 1.174 115.710 114.554 -0.029 0.000 3.010 570 T HA 0.180 4.531 4.350 0.002 0.000 0.252 570 T C 1.350 176.011 174.700 -0.065 0.000 1.047 570 T CA 0.572 62.673 62.100 0.001 0.000 1.140 570 T CB -0.067 68.879 68.868 0.130 0.000 0.885 570 T HN 0.333 nan 8.240 nan 0.000 0.464 571 E N 1.184 121.255 120.200 -0.214 0.000 2.474 571 E HA 0.172 4.522 4.350 0.002 0.000 0.195 571 E C -0.071 176.505 176.600 -0.039 0.000 1.039 571 E CA -0.084 56.234 56.400 -0.136 0.000 0.881 571 E CB -0.230 29.323 29.700 -0.245 0.000 0.970 571 E HN 0.536 nan 8.360 nan 0.000 0.486 572 N N 0.760 119.450 118.700 -0.016 0.000 2.740 572 N HA -0.189 4.552 4.740 0.002 0.000 0.248 572 N C -0.793 174.797 175.510 0.134 0.000 1.062 572 N CA 0.287 53.397 53.050 0.100 0.000 0.704 572 N CB -1.241 37.343 38.487 0.162 0.000 0.968 572 N HN 0.215 nan 8.380 nan 0.000 0.547 573 I N 0.781 121.363 120.570 0.019 0.000 2.412 573 I HA 0.371 4.542 4.170 0.002 0.000 0.296 573 I C 0.580 176.686 176.117 -0.020 0.000 0.987 573 I CA -0.874 60.445 61.300 0.031 0.000 1.180 573 I CB 1.412 39.440 38.000 0.048 0.000 1.340 573 I HN 0.030 nan 8.210 nan 0.000 0.455 574 I N 6.190 126.758 120.570 -0.005 0.000 2.371 574 I HA 0.183 4.354 4.170 0.002 0.000 0.290 574 I C -0.441 175.673 176.117 -0.004 0.000 1.028 574 I CA -0.469 60.788 61.300 -0.070 0.000 1.345 574 I CB 1.225 39.186 38.000 -0.065 0.000 1.407 574 I HN 0.192 nan 8.210 nan 0.000 0.501 575 V N 6.862 126.761 119.914 -0.026 0.000 2.313 575 V HA 0.545 4.666 4.120 0.002 0.000 0.278 575 V C 0.404 176.540 176.094 0.071 0.000 1.017 575 V CA -0.435 61.903 62.300 0.063 0.000 0.823 575 V CB 1.062 32.917 31.823 0.053 0.000 1.010 575 V HN 0.842 nan 8.190 nan 0.000 0.443 576 A N 4.008 126.900 122.820 0.120 0.000 2.311 576 A HA 0.950 5.271 4.320 0.002 0.000 0.334 576 A C -0.058 177.702 177.584 0.292 0.000 1.139 576 A CA -0.504 51.609 52.037 0.127 0.000 0.830 576 A CB 1.550 20.498 19.000 -0.086 0.000 1.234 576 A HN 0.673 nan 8.150 nan 0.000 0.483 577 S N -0.433 115.488 115.700 0.368 0.000 2.540 577 S HA 0.661 5.132 4.470 0.002 0.000 0.275 577 S C -1.542 173.419 174.600 0.602 0.000 1.123 577 S CA -0.292 58.162 58.200 0.424 0.000 0.907 577 S CB 1.201 64.587 63.200 0.309 0.000 1.081 577 S HN 0.715 nan 8.310 nan 0.000 0.476 578 F N 2.074 122.267 119.950 0.405 0.000 2.540 578 F HA 0.523 5.051 4.527 0.002 0.000 0.317 578 F C -1.308 174.703 175.800 0.352 0.000 1.104 578 F CA -0.799 57.459 58.000 0.431 0.000 0.913 578 F CB 1.468 40.683 39.000 0.358 0.000 1.170 578 F HN 0.387 nan 8.300 nan 0.000 0.450 579 D N 4.450 124.663 120.400 -0.310 0.000 2.473 579 D HA 0.367 5.008 4.640 0.002 0.000 0.226 579 D C 0.297 176.341 176.300 -0.426 0.000 1.089 579 D CA 0.106 54.005 54.000 -0.168 0.000 0.883 579 D CB 1.451 42.298 40.800 0.078 0.000 1.029 579 D HN 0.767 nan 8.370 nan 0.000 0.517 580 G N 1.190 109.839 108.800 -0.253 0.000 2.736 580 G HA2 0.318 4.279 3.960 0.002 0.000 0.229 580 G HA3 0.318 4.279 3.960 0.002 0.000 0.229 580 G C 0.104 175.090 174.900 0.143 0.000 1.380 580 G CA -0.694 44.328 45.100 -0.130 0.000 1.040 580 G HN 0.269 nan 8.290 nan 0.000 0.568 581 R N -0.852 119.703 120.500 0.092 0.000 2.583 581 R HA 0.358 4.699 4.340 0.002 0.000 0.274 581 R C 1.415 177.820 176.300 0.176 0.000 0.998 581 R CA 2.162 58.382 56.100 0.200 0.000 1.081 581 R CB 0.277 30.668 30.300 0.152 0.000 0.940 581 R HN 1.276 nan 8.270 nan 0.000 0.413 582 G N 1.281 110.174 108.800 0.156 0.000 2.258 582 G HA2 -0.298 3.663 3.960 0.002 0.000 0.233 582 G HA3 -0.298 3.663 3.960 0.002 0.000 0.233 582 G C 0.170 175.102 174.900 0.053 0.000 1.006 582 G CA 0.136 45.299 45.100 0.106 0.000 0.620 582 G HN 0.662 nan 8.290 nan 0.000 0.511 583 S N 0.780 116.526 115.700 0.077 0.000 2.572 583 S HA 0.482 4.953 4.470 0.002 0.000 0.267 583 S C 0.982 175.568 174.600 -0.024 0.000 1.361 583 S CA 0.473 58.710 58.200 0.062 0.000 1.009 583 S CB 1.049 64.317 63.200 0.114 0.000 0.888 583 S HN 1.402 nan 8.310 nan 0.000 0.553 584 G N -0.837 107.916 108.800 -0.078 0.000 2.667 584 G HA2 0.526 4.487 3.960 0.002 0.000 0.310 584 G HA3 0.526 4.487 3.960 0.002 0.000 0.310 584 G C -1.091 173.650 174.900 -0.266 0.000 1.259 584 G CA -0.789 44.097 45.100 -0.357 0.000 1.019 584 G HN 0.772 nan 8.290 nan 0.000 0.496 585 Y N -2.339 117.947 120.300 -0.024 0.000 4.668 585 Y HA -0.217 4.334 4.550 0.002 0.000 0.234 585 Y C 1.403 177.283 175.900 -0.034 0.000 1.056 585 Y CA 1.054 59.141 58.100 -0.021 0.000 2.025 585 Y CB -2.141 36.330 38.460 0.019 0.000 1.613 585 Y HN 0.546 nan 8.280 nan 0.000 0.653 586 Q N -0.075 119.707 119.800 -0.030 0.000 2.118 586 Q HA 0.506 4.847 4.340 0.002 0.000 0.219 586 Q C 0.925 176.743 176.000 -0.305 0.000 0.794 586 Q CA 0.231 56.012 55.803 -0.037 0.000 1.035 586 Q CB 1.689 30.412 28.738 -0.025 0.000 1.177 586 Q HN 0.583 nan 8.270 nan 0.000 0.478 587 G N 0.755 109.234 108.800 -0.534 0.000 2.663 587 G HA2 -0.171 3.790 3.960 0.002 0.000 0.686 587 G HA3 -0.171 3.790 3.960 0.002 0.000 0.686 587 G C -0.533 173.962 174.900 -0.673 0.000 1.246 587 G CA -0.586 43.908 45.100 -1.009 0.000 0.795 587 G HN 0.101 nan 8.290 nan 0.000 0.627 588 D N -0.002 119.981 120.400 -0.695 0.000 2.269 588 D HA -0.046 4.595 4.640 0.002 0.000 0.208 588 D C 2.177 178.213 176.300 -0.440 0.000 0.963 588 D CA 1.191 54.759 54.000 -0.720 0.000 0.864 588 D CB 0.056 40.352 40.800 -0.840 0.000 0.936 588 D HN 0.613 nan 8.370 nan 0.000 0.505 589 K N 0.488 120.687 120.400 -0.336 0.000 2.152 589 K HA -0.108 4.213 4.320 0.002 0.000 0.206 589 K C 1.912 178.445 176.600 -0.113 0.000 1.048 589 K CA 0.855 57.036 56.287 -0.176 0.000 0.933 589 K CB 0.036 32.451 32.500 -0.143 0.000 0.721 589 K HN 0.123 nan 8.250 nan 0.000 0.447 590 I N 0.049 120.528 120.570 -0.151 0.000 2.385 590 I HA -0.172 3.999 4.170 0.002 0.000 0.244 590 I C 2.559 178.663 176.117 -0.022 0.000 1.089 590 I CA 0.567 61.844 61.300 -0.039 0.000 1.410 590 I CB -0.088 37.878 38.000 -0.056 0.000 1.117 590 I HN 0.245 nan 8.210 nan 0.000 0.429 591 M N 0.274 119.787 119.600 -0.145 0.000 2.086 591 M HA -0.248 4.233 4.480 0.002 0.000 0.261 591 M C 1.925 178.253 176.300 0.047 0.000 1.067 591 M CA 2.051 57.290 55.300 -0.102 0.000 1.116 591 M CB -0.343 32.089 32.600 -0.279 0.000 1.348 591 M HN 0.255 nan 8.290 nan 0.000 0.407 592 H N -0.606 118.354 119.070 -0.182 0.000 2.547 592 H HA 0.157 4.714 4.556 0.002 0.000 0.266 592 H C 1.893 177.235 175.328 0.023 0.000 0.988 592 H CA 0.081 56.026 56.048 -0.170 0.000 1.147 592 H CB 0.119 29.688 29.762 -0.322 0.000 1.365 592 H HN 0.550 nan 8.280 nan 0.000 0.589 593 A N 1.637 124.562 122.820 0.176 0.000 1.940 593 A HA -0.158 4.163 4.320 0.002 0.000 0.219 593 A C 2.066 179.850 177.584 0.333 0.000 1.176 593 A CA 1.274 53.442 52.037 0.218 0.000 0.631 593 A CB -0.669 18.438 19.000 0.178 0.000 0.814 593 A HN 0.581 nan 8.150 nan 0.000 0.446 594 I N -2.762 117.977 120.570 0.282 0.000 3.806 594 I HA 0.142 4.313 4.170 0.002 0.000 0.321 594 I C 0.373 176.569 176.117 0.132 0.000 1.315 594 I CA -0.433 60.981 61.300 0.190 0.000 1.148 594 I CB -0.741 37.345 38.000 0.143 0.000 1.028 594 I HN 0.232 nan 8.210 nan 0.000 0.415 595 N N 2.925 121.745 118.700 0.200 0.000 2.412 595 N HA -0.063 4.678 4.740 0.002 0.000 0.258 595 N C 0.256 175.788 175.510 0.036 0.000 1.236 595 N CA 0.236 53.404 53.050 0.196 0.000 0.882 595 N CB 0.363 38.925 38.487 0.125 0.000 1.066 595 N HN 0.413 nan 8.380 nan 0.000 0.465 596 R N 0.455 120.955 120.500 0.001 0.000 4.023 596 R HA -0.194 4.147 4.340 0.002 0.000 0.368 596 R C -0.216 175.952 176.300 -0.220 0.000 1.187 596 R CA 0.838 56.891 56.100 -0.078 0.000 1.089 596 R CB -0.808 29.464 30.300 -0.047 0.000 1.574 596 R HN 0.540 nan 8.270 nan 0.000 0.564 597 R N 0.736 121.092 120.500 -0.240 0.000 2.734 597 R HA 0.344 4.685 4.340 0.002 0.000 0.395 597 R C -0.382 175.845 176.300 -0.121 0.000 1.096 597 R CA -0.295 55.516 56.100 -0.483 0.000 1.071 597 R CB 0.398 30.422 30.300 -0.460 0.000 1.348 597 R HN 0.110 nan 8.270 nan 0.000 0.600 598 L N -0.314 120.924 121.223 0.025 0.000 2.506 598 L HA 0.146 4.487 4.340 0.002 0.000 0.281 598 L C 1.281 178.386 176.870 0.392 0.000 1.228 598 L CA 1.151 56.058 54.840 0.112 0.000 0.850 598 L CB 0.416 42.327 42.059 -0.247 0.000 1.110 598 L HN 0.687 nan 8.230 nan 0.000 0.496 599 G N 1.045 110.107 108.800 0.437 0.000 2.136 599 G HA2 -0.284 3.677 3.960 0.002 0.000 0.242 599 G HA3 -0.284 3.677 3.960 0.002 0.000 0.242 599 G C 0.427 175.417 174.900 0.150 0.000 0.989 599 G CA 0.545 45.860 45.100 0.359 0.000 0.682 599 G HN 0.837 nan 8.290 nan 0.000 0.522 600 T N -3.457 111.141 114.554 0.073 0.000 2.995 600 T HA 0.480 4.831 4.350 0.002 0.000 0.170 600 T C 1.632 176.325 174.700 -0.011 0.000 0.844 600 T CA 0.879 62.928 62.100 -0.085 0.000 1.137 600 T CB -0.065 68.563 68.868 -0.400 0.000 2.193 600 T HN 0.156 nan 8.240 nan 0.000 0.384 601 F N 3.459 123.447 119.950 0.064 0.000 2.161 601 F HA 0.042 4.570 4.527 0.002 0.000 0.300 601 F C 2.795 178.629 175.800 0.057 0.000 1.089 601 F CA 1.204 59.232 58.000 0.046 0.000 1.282 601 F CB -0.766 38.259 39.000 0.041 0.000 1.010 601 F HN 0.547 nan 8.300 nan 0.000 0.485 602 E N 1.136 121.489 120.200 0.256 0.000 2.150 602 E HA -0.152 4.199 4.350 0.002 0.000 0.193 602 E C 2.240 178.945 176.600 0.175 0.000 0.985 602 E CA 1.695 58.221 56.400 0.209 0.000 0.814 602 E CB -1.069 28.755 29.700 0.207 0.000 0.752 602 E HN 0.375 nan 8.360 nan 0.000 0.466 603 V N -0.020 119.971 119.914 0.128 0.000 2.535 603 V HA -0.076 4.045 4.120 0.002 0.000 0.246 603 V C 2.009 178.136 176.094 0.055 0.000 1.045 603 V CA 1.541 63.874 62.300 0.055 0.000 1.058 603 V CB -0.234 31.565 31.823 -0.040 0.000 0.689 603 V HN 0.083 nan 8.190 nan 0.000 0.461 604 E N 0.380 120.630 120.200 0.082 0.000 2.058 604 E HA -0.229 4.122 4.350 0.002 0.000 0.194 604 E C 1.949 178.579 176.600 0.049 0.000 0.997 604 E CA 1.826 58.271 56.400 0.075 0.000 0.801 604 E CB -0.202 29.577 29.700 0.132 0.000 0.746 604 E HN 0.648 nan 8.360 nan 0.000 0.450 605 D N 0.180 120.625 120.400 0.076 0.000 2.218 605 D HA -0.151 4.490 4.640 0.002 0.000 0.204 605 D C 1.910 178.217 176.300 0.012 0.000 0.976 605 D CA 0.838 54.861 54.000 0.037 0.000 0.853 605 D CB -0.127 40.742 40.800 0.115 0.000 0.939 605 D HN 0.038 nan 8.370 nan 0.000 0.481 606 Q N 0.290 120.154 119.800 0.107 0.000 2.079 606 Q HA 0.002 4.343 4.340 0.002 0.000 0.200 606 Q C 2.132 178.164 176.000 0.054 0.000 0.974 606 Q CA 0.816 56.691 55.803 0.119 0.000 0.840 606 Q CB -0.182 28.641 28.738 0.142 0.000 0.898 606 Q HN 0.329 nan 8.270 nan 0.000 0.430 607 I N 0.022 120.634 120.570 0.071 0.000 2.202 607 I HA -0.219 3.952 4.170 0.002 0.000 0.242 607 I C 2.162 178.247 176.117 -0.053 0.000 1.091 607 I CA 1.289 62.680 61.300 0.152 0.000 1.368 607 I CB -0.261 37.811 38.000 0.121 0.000 1.058 607 I HN 0.224 nan 8.210 nan 0.000 0.410 608 E N 1.579 121.691 120.200 -0.147 0.000 2.118 608 E HA -0.210 4.141 4.350 0.002 0.000 0.195 608 E C 2.043 178.350 176.600 -0.489 0.000 0.992 608 E CA 1.688 57.933 56.400 -0.258 0.000 0.804 608 E CB -0.148 29.417 29.700 -0.225 0.000 0.741 608 E HN 0.429 nan 8.360 nan 0.000 0.458 609 A N 0.784 123.163 122.820 -0.734 0.000 1.873 609 A HA 0.000 4.321 4.320 0.002 0.000 0.215 609 A C 2.480 179.316 177.584 -1.246 0.000 1.186 609 A CA 2.090 53.345 52.037 -1.303 0.000 0.616 609 A CB -1.108 16.870 19.000 -1.703 0.000 0.823 609 A HN 0.387 nan 8.150 nan 0.000 0.442 610 A N -0.299 122.164 122.820 -0.595 0.000 1.908 610 A HA -0.199 4.122 4.320 0.002 0.000 0.218 610 A C 2.248 179.629 177.584 -0.339 0.000 1.181 610 A CA 1.860 53.717 52.037 -0.300 0.000 0.627 610 A CB -0.531 18.377 19.000 -0.155 0.000 0.818 610 A HN 0.567 nan 8.150 nan 0.000 0.445 611 R N -0.486 119.807 120.500 -0.344 0.000 2.091 611 R HA -0.173 4.168 4.340 0.002 0.000 0.238 611 R C 2.249 178.386 176.300 -0.273 0.000 1.136 611 R CA 1.857 57.795 56.100 -0.270 0.000 0.959 611 R CB -0.258 29.912 30.300 -0.218 0.000 0.856 611 R HN 0.681 nan 8.270 nan 0.000 0.437 612 Q N -0.894 118.673 119.800 -0.388 0.000 2.245 612 Q HA -0.096 4.245 4.340 0.002 0.000 0.201 612 Q C 1.810 177.675 176.000 -0.224 0.000 0.955 612 Q CA 0.833 56.440 55.803 -0.327 0.000 0.870 612 Q CB 0.085 28.585 28.738 -0.396 0.000 0.945 612 Q HN 0.312 nan 8.270 nan 0.000 0.461 613 F N 1.153 120.934 119.950 -0.282 0.000 2.146 613 F HA -0.124 4.404 4.527 0.002 0.000 0.298 613 F C 2.637 178.250 175.800 -0.312 0.000 1.096 613 F CA 1.251 59.071 58.000 -0.300 0.000 1.275 613 F CB -1.099 37.764 39.000 -0.229 0.000 1.008 613 F HN 0.032 nan 8.300 nan 0.000 0.480 614 S N -0.911 114.750 115.700 -0.065 0.000 2.595 614 S HA -0.069 4.402 4.470 0.002 0.000 0.235 614 S C 1.377 175.883 174.600 -0.156 0.000 0.974 614 S CA 0.604 58.728 58.200 -0.127 0.000 0.942 614 S CB -0.329 62.790 63.200 -0.135 0.000 0.766 614 S HN 0.167 nan 8.310 nan 0.000 0.536 615 K N 0.126 120.427 120.400 -0.166 0.000 2.413 615 K HA 0.411 4.732 4.320 0.002 0.000 0.204 615 K C 0.763 177.258 176.600 -0.174 0.000 1.041 615 K CA 0.026 56.223 56.287 -0.151 0.000 1.082 615 K CB 0.043 32.468 32.500 -0.125 0.000 0.871 615 K HN 0.454 nan 8.250 nan 0.000 0.535 616 M N -0.758 118.669 119.600 -0.287 0.000 2.556 616 M HA 0.031 4.512 4.480 0.002 0.000 0.245 616 M C 1.026 177.112 176.300 -0.358 0.000 1.128 616 M CA 0.847 55.938 55.300 -0.348 0.000 1.069 616 M CB 0.398 32.667 32.600 -0.551 0.000 1.469 616 M HN 0.378 nan 8.290 nan 0.000 0.494 617 G N 0.667 109.274 108.800 -0.322 0.000 2.258 617 G HA2 -0.288 3.673 3.960 0.002 0.000 0.233 617 G HA3 -0.288 3.673 3.960 0.002 0.000 0.233 617 G C 0.428 175.303 174.900 -0.041 0.000 1.006 617 G CA 0.264 45.284 45.100 -0.135 0.000 0.620 617 G HN 0.567 nan 8.290 nan 0.000 0.511 618 F N 0.536 120.545 119.950 0.097 0.000 2.708 618 F HA 0.787 5.315 4.527 0.002 0.000 0.300 618 F C -0.015 175.909 175.800 0.206 0.000 1.118 618 F CA -1.367 56.732 58.000 0.164 0.000 1.307 618 F CB 0.235 39.390 39.000 0.258 0.000 0.986 618 F HN 0.084 nan 8.300 nan 0.000 0.522 619 V N 1.285 121.197 119.914 -0.004 0.000 2.487 619 V HA 0.232 4.353 4.120 0.002 0.000 0.298 619 V C -0.846 175.233 176.094 -0.025 0.000 1.028 619 V CA -0.760 61.553 62.300 0.022 0.000 0.860 619 V CB 1.737 33.507 31.823 -0.089 0.000 0.991 619 V HN 0.117 nan 8.190 nan 0.000 0.427 620 D N 3.855 124.240 120.400 -0.025 0.000 2.402 620 D HA 0.054 4.695 4.640 0.002 0.000 0.235 620 D C 1.190 177.441 176.300 -0.082 0.000 1.226 620 D CA -0.298 53.661 54.000 -0.067 0.000 0.918 620 D CB 0.598 41.340 40.800 -0.096 0.000 1.043 620 D HN 0.627 nan 8.370 nan 0.000 0.506 621 N N 3.139 121.791 118.700 -0.079 0.000 2.635 621 N HA -0.160 4.581 4.740 0.002 0.000 0.191 621 N C 0.751 176.218 175.510 -0.071 0.000 1.155 621 N CA 0.714 53.711 53.050 -0.089 0.000 0.927 621 N CB -0.097 38.332 38.487 -0.097 0.000 0.976 621 N HN 0.383 nan 8.380 nan 0.000 0.448 622 K N -0.344 120.023 120.400 -0.055 0.000 2.379 622 K HA 0.191 4.512 4.320 0.002 0.000 0.194 622 K C 0.143 176.745 176.600 0.003 0.000 1.031 622 K CA 0.196 56.468 56.287 -0.026 0.000 1.037 622 K CB 0.416 32.902 32.500 -0.023 0.000 0.824 622 K HN 0.141 nan 8.250 nan 0.000 0.516 623 R N 1.236 121.714 120.500 -0.037 0.000 2.681 623 R HA 0.348 4.689 4.340 0.002 0.000 0.277 623 R C -1.032 175.253 176.300 -0.026 0.000 1.563 623 R CA -0.129 55.958 56.100 -0.021 0.000 1.673 623 R CB 0.637 30.779 30.300 -0.264 0.000 1.258 623 R HN -0.013 nan 8.270 nan 0.000 0.650 624 I N 1.278 121.937 120.570 0.147 0.000 2.389 624 I HA 0.516 4.686 4.170 0.002 0.000 0.288 624 I C 0.069 176.449 176.117 0.437 0.000 0.999 624 I CA -0.649 60.763 61.300 0.187 0.000 1.129 624 I CB 1.844 39.789 38.000 -0.091 0.000 1.288 624 I HN 0.334 nan 8.210 nan 0.000 0.444 625 A N 7.224 130.424 122.820 0.635 0.000 2.344 625 A HA 0.934 5.255 4.320 0.002 0.000 0.307 625 A C -1.003 176.966 177.584 0.641 0.000 1.151 625 A CA -0.677 51.715 52.037 0.593 0.000 0.842 625 A CB 2.047 21.258 19.000 0.350 0.000 1.350 625 A HN 0.726 nan 8.150 nan 0.000 0.459 626 I N 0.149 121.015 120.570 0.493 0.000 2.722 626 I HA 0.629 4.800 4.170 0.002 0.000 0.292 626 I C -2.052 174.331 176.117 0.443 0.000 1.267 626 I CA -0.558 60.971 61.300 0.382 0.000 1.036 626 I CB 1.590 39.564 38.000 -0.043 0.000 1.281 626 I HN 0.951 nan 8.210 nan 0.000 0.423 627 W N 7.152 128.593 121.300 0.235 0.000 3.118 627 W HA 0.873 5.534 4.660 0.002 0.000 0.328 627 W C -1.424 175.251 176.519 0.260 0.000 1.239 627 W CA -1.040 56.449 57.345 0.240 0.000 1.176 627 W CB 1.159 30.808 29.460 0.315 0.000 1.433 627 W HN 0.830 nan 8.180 nan 0.000 0.562 628 G N 0.790 109.527 108.800 -0.105 0.000 2.601 628 G HA2 0.480 4.441 3.960 0.002 0.000 0.291 628 G HA3 0.480 4.441 3.960 0.002 0.000 0.291 628 G C -2.793 172.078 174.900 -0.048 0.000 1.456 628 G CA -0.709 44.197 45.100 -0.323 0.000 0.804 628 G HN 0.609 nan 8.290 nan 0.000 0.499 629 W N 0.918 122.121 121.300 -0.162 0.000 2.761 629 W HA 0.591 5.251 4.660 0.001 0.000 0.340 629 W C 0.798 177.391 176.519 0.123 0.000 1.072 629 W CA 0.418 57.753 57.345 -0.016 0.000 1.215 629 W CB 1.726 31.171 29.460 -0.025 0.000 1.420 629 W HN 1.117 nan 8.180 nan 0.000 0.519 630 S N 1.640 117.662 115.700 0.536 0.000 4.116 630 S HA -0.431 4.040 4.470 0.002 0.000 0.623 630 S C 0.796 175.553 174.600 0.262 0.000 1.933 630 S CA 1.581 60.094 58.200 0.521 0.000 4.224 630 S CB -1.557 62.084 63.200 0.736 0.000 0.208 630 S HN 0.750 nan 8.310 nan 0.000 0.527 631 Y N 3.031 123.387 120.300 0.093 0.000 2.256 631 Y HA -0.022 4.529 4.550 0.002 0.000 0.288 631 Y C 2.409 178.269 175.900 -0.067 0.000 1.155 631 Y CA 2.196 60.240 58.100 -0.093 0.000 1.203 631 Y CB -0.969 37.233 38.460 -0.429 0.000 0.980 631 Y HN 0.559 nan 8.280 nan 0.000 0.530 632 G N -1.171 107.698 108.800 0.115 0.000 2.471 632 G HA2 -0.165 3.796 3.960 0.002 0.000 0.219 632 G HA3 -0.165 3.796 3.960 0.002 0.000 0.219 632 G C 1.853 176.805 174.900 0.086 0.000 1.125 632 G CA 0.669 45.845 45.100 0.126 0.000 0.775 632 G HN 0.576 nan 8.290 nan 0.000 0.548 633 G N -0.097 108.764 108.800 0.101 0.000 2.394 633 G HA2 -0.177 3.784 3.960 0.002 0.000 0.215 633 G HA3 -0.177 3.784 3.960 0.002 0.000 0.215 633 G C 1.552 176.485 174.900 0.054 0.000 1.165 633 G CA 0.959 46.099 45.100 0.066 0.000 0.784 633 G HN 0.383 nan 8.290 nan 0.000 0.535 634 Y N 1.549 121.762 120.300 -0.146 0.000 2.097 634 Y HA -0.153 4.398 4.550 0.002 0.000 0.282 634 Y C 2.763 178.571 175.900 -0.153 0.000 1.152 634 Y CA 1.705 59.662 58.100 -0.238 0.000 1.136 634 Y CB -0.576 37.585 38.460 -0.497 0.000 0.975 634 Y HN 0.024 nan 8.280 nan 0.000 0.498 635 V N -0.146 119.631 119.914 -0.227 0.000 2.287 635 V HA -0.355 3.766 4.120 0.002 0.000 0.248 635 V C 2.352 178.331 176.094 -0.192 0.000 1.053 635 V CA 2.510 64.672 62.300 -0.229 0.000 1.027 635 V CB -1.276 30.564 31.823 0.027 0.000 0.646 635 V HN 0.510 nan 8.190 nan 0.000 0.447 636 T N -0.175 114.326 114.554 -0.087 0.000 2.665 636 T HA -0.217 4.134 4.350 0.002 0.000 0.268 636 T C 2.132 176.778 174.700 -0.089 0.000 1.035 636 T CA 2.059 64.121 62.100 -0.064 0.000 1.151 636 T CB -0.294 68.614 68.868 0.067 0.000 0.862 636 T HN 0.515 nan 8.240 nan 0.000 0.438 637 S N 0.873 116.551 115.700 -0.037 0.000 2.368 637 S HA -0.009 4.462 4.470 0.002 0.000 0.224 637 S C 2.122 176.631 174.600 -0.151 0.000 1.029 637 S CA 0.900 59.098 58.200 -0.003 0.000 0.988 637 S CB -0.258 62.990 63.200 0.079 0.000 0.838 637 S HN 0.318 nan 8.310 nan 0.000 0.462 638 M N 0.856 120.280 119.600 -0.293 0.000 2.159 638 M HA -0.009 4.472 4.480 0.002 0.000 0.263 638 M C 2.171 178.304 176.300 -0.278 0.000 1.063 638 M CA 1.005 56.114 55.300 -0.319 0.000 1.110 638 M CB -1.392 30.920 32.600 -0.481 0.000 1.374 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.534 120.273 119.914 -0.292 0.000 2.307 639 V HA -0.220 3.901 4.120 0.002 0.000 0.245 639 V C 2.487 178.365 176.094 -0.359 0.000 1.045 639 V CA 1.307 63.423 62.300 -0.306 0.000 1.024 639 V CB -0.561 31.005 31.823 -0.428 0.000 0.651 639 V HN 0.393 nan 8.190 nan 0.000 0.449 640 L N 0.368 121.319 121.223 -0.453 0.000 2.265 640 L HA -0.061 4.280 4.340 0.002 0.000 0.215 640 L C 2.123 178.417 176.870 -0.959 0.000 1.117 640 L CA 1.449 55.925 54.840 -0.608 0.000 0.782 640 L CB -0.666 41.014 42.059 -0.633 0.000 0.914 640 L HN 0.493 nan 8.230 nan 0.000 0.441 641 G N -1.496 106.780 108.800 -0.874 0.000 3.337 641 G HA2 -0.018 3.943 3.960 0.002 0.000 0.246 641 G HA3 -0.018 3.943 3.960 0.002 0.000 0.246 641 G C 1.433 176.162 174.900 -0.285 0.000 1.131 641 G CA 0.539 45.228 45.100 -0.685 0.000 0.773 641 G HN 0.405 nan 8.290 nan 0.000 0.544 642 S N -0.559 114.995 115.700 -0.244 0.000 2.496 642 S HA 0.290 4.761 4.470 0.002 0.000 0.224 642 S C 1.910 176.458 174.600 -0.087 0.000 0.996 642 S CA 1.006 59.129 58.200 -0.127 0.000 0.927 642 S CB -0.134 63.009 63.200 -0.094 0.000 0.774 642 S HN 1.373 nan 8.310 nan 0.000 0.524 643 G N 1.394 110.129 108.800 -0.107 0.000 2.176 643 G HA2 -0.321 3.640 3.960 0.002 0.000 0.252 643 G HA3 -0.321 3.640 3.960 0.002 0.000 0.252 643 G C 0.870 175.755 174.900 -0.025 0.000 1.024 643 G CA 0.882 45.946 45.100 -0.061 0.000 0.755 643 G HN 1.245 nan 8.290 nan 0.000 0.507 644 S N -1.006 114.690 115.700 -0.005 0.000 2.436 644 S HA 0.334 4.804 4.470 0.002 0.000 0.228 644 S C 2.540 177.151 174.600 0.018 0.000 1.014 644 S CA 1.631 59.844 58.200 0.021 0.000 0.950 644 S CB -0.113 63.131 63.200 0.073 0.000 0.784 644 S HN 2.389 nan 8.310 nan 0.000 0.504 645 G N 0.270 109.090 108.800 0.033 0.000 2.212 645 G HA2 -0.314 3.647 3.960 0.002 0.000 0.266 645 G HA3 -0.314 3.647 3.960 0.002 0.000 0.266 645 G C 0.856 175.758 174.900 0.002 0.000 0.978 645 G CA 0.460 45.572 45.100 0.021 0.000 0.632 645 G HN 0.699 nan 8.290 nan 0.000 0.537 646 V N -0.229 119.674 119.914 -0.017 0.000 2.407 646 V HA 0.137 4.258 4.120 0.002 0.000 0.248 646 V C 1.321 177.189 176.094 -0.376 0.000 1.055 646 V CA 1.762 63.917 62.300 -0.242 0.000 1.049 646 V CB -0.454 31.114 31.823 -0.424 0.000 0.662 646 V HN 0.333 nan 8.190 nan 0.000 0.455 647 F N -0.188 119.776 119.950 0.024 0.000 2.420 647 F HA 0.397 4.925 4.527 0.001 0.000 0.342 647 F C 1.074 176.920 175.800 0.078 0.000 1.113 647 F CA -0.678 57.364 58.000 0.071 0.000 1.059 647 F CB 1.232 40.279 39.000 0.077 0.000 1.128 647 F HN -0.249 nan 8.300 nan 0.000 0.475 648 K N 1.619 122.177 120.400 0.262 0.000 2.098 648 K HA 0.078 4.399 4.320 0.002 0.000 0.203 648 K C -0.011 176.722 176.600 0.221 0.000 1.051 648 K CA 0.991 57.399 56.287 0.201 0.000 0.957 648 K CB 0.228 32.843 32.500 0.193 0.000 0.738 648 K HN 0.814 nan 8.250 nan 0.000 0.447 649 c N -2.647 116.123 118.600 0.283 0.000 3.323 649 c HA 0.916 5.487 4.570 0.002 0.000 0.324 649 c C -0.227 174.102 174.090 0.398 0.000 1.428 649 c CA -0.599 55.923 56.329 0.322 0.000 1.368 649 c CB 1.122 43.746 42.510 0.191 0.000 1.731 649 c HN 0.365 nan 8.230 nan 0.000 0.455 650 G N 0.045 109.148 108.800 0.504 0.000 2.667 650 G HA2 0.652 4.613 3.960 0.002 0.000 0.294 650 G HA3 0.652 4.613 3.960 0.002 0.000 0.294 650 G C -1.901 173.220 174.900 0.368 0.000 1.467 650 G CA -0.650 44.709 45.100 0.432 0.000 0.852 650 G HN 0.976 nan 8.290 nan 0.000 0.521 651 I N 0.883 121.638 120.570 0.309 0.000 2.436 651 I HA 0.648 4.819 4.170 0.002 0.000 0.289 651 I C 0.244 176.477 176.117 0.193 0.000 1.010 651 I CA -0.997 60.369 61.300 0.110 0.000 1.098 651 I CB 2.226 40.281 38.000 0.091 0.000 1.266 651 I HN 0.653 nan 8.210 nan 0.000 0.434 652 A N 6.427 129.256 122.820 0.015 0.000 2.304 652 A HA 0.774 5.095 4.320 0.002 0.000 0.314 652 A C -0.781 176.720 177.584 -0.137 0.000 1.187 652 A CA -0.513 51.544 52.037 0.034 0.000 0.810 652 A CB 1.194 20.284 19.000 0.149 0.000 1.183 652 A HN 0.447 nan 8.150 nan 0.000 0.487 653 V N 2.063 121.845 119.914 -0.220 0.000 2.417 653 V HA 0.579 4.700 4.120 0.002 0.000 0.291 653 V C 0.941 176.659 176.094 -0.626 0.000 1.024 653 V CA 0.271 62.222 62.300 -0.582 0.000 0.861 653 V CB 0.851 31.997 31.823 -1.127 0.000 0.985 653 V HN 2.106 nan 8.190 nan 0.000 0.436 654 A N 5.610 128.041 122.820 -0.648 0.000 2.415 654 A HA -0.107 4.214 4.320 0.002 0.000 0.292 654 A C -1.761 175.717 177.584 -0.178 0.000 1.452 654 A CA 0.483 52.054 52.037 -0.776 0.000 0.750 654 A CB -1.516 17.122 19.000 -0.603 0.000 1.099 654 A HN 0.619 nan 8.150 nan 0.000 0.391 655 P HA 0.456 nan 4.420 nan 0.000 0.281 655 P C 0.071 177.361 177.300 -0.016 0.000 1.249 655 P CA -0.307 62.799 63.100 0.009 0.000 0.810 655 P CB 1.458 33.179 31.700 0.036 0.000 1.008 656 V N 2.130 121.932 119.914 -0.186 0.000 2.649 656 V HA 0.098 4.219 4.120 0.002 0.000 0.292 656 V C 1.716 177.623 176.094 -0.312 0.000 1.055 656 V CA 0.745 62.789 62.300 -0.427 0.000 1.023 656 V CB 0.902 32.075 31.823 -1.082 0.000 0.992 656 V HN 0.820 nan 8.190 nan 0.000 0.480 657 S N 3.724 119.275 115.700 -0.248 0.000 2.539 657 S HA 0.241 4.712 4.470 0.002 0.000 0.226 657 S C 0.465 174.902 174.600 -0.270 0.000 1.054 657 S CA -0.356 57.764 58.200 -0.133 0.000 0.910 657 S CB 0.292 63.478 63.200 -0.023 0.000 0.818 657 S HN 0.848 nan 8.310 nan 0.000 0.490 658 R N -1.221 118.994 120.500 -0.475 0.000 2.536 658 R HA 0.439 4.780 4.340 0.002 0.000 0.269 658 R C -0.941 175.022 176.300 -0.561 0.000 1.113 658 R CA -0.879 54.886 56.100 -0.557 0.000 0.948 658 R CB -0.263 29.688 30.300 -0.583 0.000 1.237 658 R HN 0.122 nan 8.270 nan 0.000 0.441 659 W N 1.552 122.769 121.300 -0.139 0.000 2.364 659 W HA -0.068 4.593 4.660 0.002 0.000 0.281 659 W C 1.110 177.762 176.519 0.221 0.000 1.219 659 W CA 1.027 58.387 57.345 0.025 0.000 1.220 659 W CB 0.152 29.561 29.460 -0.086 0.000 1.127 659 W HN 0.716 nan 8.180 nan 0.000 0.556 660 E N -0.977 119.390 120.200 0.278 0.000 2.409 660 E HA -0.185 4.166 4.350 0.002 0.000 0.198 660 E C 1.252 178.001 176.600 0.248 0.000 1.024 660 E CA 0.706 57.220 56.400 0.191 0.000 0.861 660 E CB -0.219 29.484 29.700 0.005 0.000 0.788 660 E HN 0.384 nan 8.360 nan 0.000 0.521 661 Y N -1.442 118.952 120.300 0.157 0.000 2.517 661 Y HA 0.054 4.605 4.550 0.002 0.000 0.281 661 Y C 0.724 176.739 175.900 0.191 0.000 1.125 661 Y CA -0.272 57.895 58.100 0.112 0.000 1.283 661 Y CB -0.323 38.145 38.460 0.013 0.000 1.042 661 Y HN 0.010 nan 8.280 nan 0.000 0.547 662 Y N 1.993 122.462 120.300 0.282 0.000 2.392 662 Y HA 0.272 4.823 4.550 0.002 0.000 0.323 662 Y C 0.365 176.502 175.900 0.396 0.000 1.291 662 Y CA -2.092 56.188 58.100 0.301 0.000 1.345 662 Y CB 0.328 38.997 38.460 0.348 0.000 1.320 662 Y HN 0.197 nan 8.280 nan 0.000 0.518 663 D N -0.447 119.765 120.400 -0.313 0.000 2.400 663 D HA 0.058 4.699 4.640 0.002 0.000 0.238 663 D C 0.970 177.271 176.300 0.001 0.000 1.157 663 D CA 0.459 54.305 54.000 -0.257 0.000 0.889 663 D CB 0.788 41.198 40.800 -0.649 0.000 1.199 663 D HN 0.480 nan 8.370 nan 0.000 0.436 664 S N 1.137 116.841 115.700 0.006 0.000 2.348 664 S HA -0.224 4.247 4.470 0.002 0.000 0.221 664 S C 1.947 176.570 174.600 0.038 0.000 1.033 664 S CA 1.171 59.415 58.200 0.074 0.000 1.010 664 S CB -1.029 62.220 63.200 0.082 0.000 0.891 664 S HN 0.439 nan 8.310 nan 0.000 0.442 665 V N 0.800 120.671 119.914 -0.072 0.000 2.287 665 V HA -0.191 3.930 4.120 0.002 0.000 0.248 665 V C 2.310 178.310 176.094 -0.157 0.000 1.053 665 V CA 2.306 64.468 62.300 -0.230 0.000 1.027 665 V CB -1.086 30.448 31.823 -0.482 0.000 0.646 665 V HN 0.614 nan 8.190 nan 0.000 0.447 666 Y N 1.131 121.362 120.300 -0.116 0.000 2.176 666 Y HA -0.183 4.368 4.550 0.002 0.000 0.291 666 Y C 2.738 178.643 175.900 0.008 0.000 1.122 666 Y CA 2.201 60.309 58.100 0.014 0.000 1.128 666 Y CB -0.528 38.120 38.460 0.313 0.000 1.005 666 Y HN 0.197 nan 8.280 nan 0.000 0.509 667 T N 0.483 115.246 114.554 0.348 0.000 2.652 667 T HA -0.220 4.131 4.350 0.002 0.000 0.267 667 T C 1.575 176.232 174.700 -0.071 0.000 1.039 667 T CA 2.023 64.243 62.100 0.201 0.000 1.153 667 T CB -0.364 68.792 68.868 0.479 0.000 0.863 667 T HN 0.428 nan 8.240 nan 0.000 0.428 668 E N 0.495 120.695 120.200 0.001 0.000 2.204 668 E HA -0.138 4.213 4.350 0.002 0.000 0.195 668 E C 2.351 178.818 176.600 -0.220 0.000 0.990 668 E CA 0.633 57.020 56.400 -0.021 0.000 0.821 668 E CB -0.139 29.596 29.700 0.058 0.000 0.750 668 E HN 0.331 nan 8.360 nan 0.000 0.477 669 R N 0.049 120.259 120.500 -0.484 0.000 2.105 669 R HA -0.192 4.149 4.340 0.002 0.000 0.239 669 R C 1.236 176.970 176.300 -0.944 0.000 1.135 669 R CA 1.620 57.241 56.100 -0.798 0.000 0.967 669 R CB -0.011 29.508 30.300 -1.303 0.000 0.861 669 R HN 0.245 nan 8.270 nan 0.000 0.442 670 Y N -2.307 117.648 120.300 -0.576 0.000 2.481 670 Y HA 0.243 4.794 4.550 0.002 0.000 0.258 670 Y C 1.568 177.255 175.900 -0.354 0.000 1.103 670 Y CA -0.071 57.685 58.100 -0.573 0.000 1.287 670 Y CB 0.514 38.493 38.460 -0.801 0.000 1.108 670 Y HN -0.032 nan 8.280 nan 0.000 0.529 671 M N -0.437 119.026 119.600 -0.229 0.000 2.308 671 M HA 0.377 4.858 4.480 0.002 0.000 0.269 671 M C 1.056 177.362 176.300 0.010 0.000 1.040 671 M CA 0.745 55.916 55.300 -0.214 0.000 1.024 671 M CB -0.150 32.119 32.600 -0.552 0.000 1.465 671 M HN 0.330 nan 8.290 nan 0.000 0.517 672 G N 1.874 110.694 108.800 0.034 0.000 2.645 672 G HA2 -0.203 3.758 3.960 0.002 0.000 0.239 672 G HA3 -0.203 3.758 3.960 0.002 0.000 0.239 672 G C -0.774 174.259 174.900 0.220 0.000 1.331 672 G CA -0.827 44.335 45.100 0.103 0.000 0.890 672 G HN 0.227 nan 8.290 nan 0.000 0.572 673 L N 2.491 123.811 121.223 0.161 0.000 2.357 673 L HA 0.513 4.854 4.340 0.002 0.000 0.273 673 L C -1.221 175.654 176.870 0.009 0.000 1.080 673 L CA -1.949 52.943 54.840 0.087 0.000 0.803 673 L CB 1.091 43.166 42.059 0.026 0.000 1.174 673 L HN 0.446 nan 8.230 nan 0.000 0.443 674 P HA 0.102 nan 4.420 nan 0.000 0.218 674 P C -0.701 176.448 177.300 -0.251 0.000 1.793 674 P CA -0.157 62.535 63.100 -0.679 0.000 0.941 674 P CB -0.380 30.624 31.700 -1.159 0.000 1.919 675 T N -2.880 111.617 114.554 -0.094 0.000 2.908 675 T HA 0.446 4.797 4.350 0.002 0.000 0.290 675 T C -1.978 172.720 174.700 -0.002 0.000 1.034 675 T CA -2.459 59.615 62.100 -0.044 0.000 1.010 675 T CB 2.066 70.918 68.868 -0.026 0.000 1.068 675 T HN -0.210 nan 8.240 nan 0.000 0.481 676 P HA -0.102 nan 4.420 nan 0.000 0.219 676 P C 0.756 178.070 177.300 0.022 0.000 1.146 676 P CA 1.185 64.296 63.100 0.017 0.000 0.808 676 P CB 0.196 31.902 31.700 0.010 0.000 0.779 677 E N -0.848 119.361 120.200 0.015 0.000 2.274 677 E HA -0.083 4.268 4.350 0.002 0.000 0.194 677 E C 1.596 178.211 176.600 0.025 0.000 0.996 677 E CA 0.786 57.195 56.400 0.016 0.000 0.840 677 E CB -0.348 29.357 29.700 0.008 0.000 0.772 677 E HN 0.322 nan 8.360 nan 0.000 0.491 678 D N -0.588 119.834 120.400 0.036 0.000 2.931 678 D HA 0.097 4.738 4.640 0.002 0.000 0.241 678 D C 0.324 176.678 176.300 0.089 0.000 1.494 678 D CA 0.164 54.197 54.000 0.055 0.000 1.260 678 D CB 0.001 40.836 40.800 0.058 0.000 0.953 678 D HN 0.010 nan 8.370 nan 0.000 0.240 679 N N 0.009 118.796 118.700 0.145 0.000 2.305 679 N HA 0.046 4.787 4.740 0.002 0.000 0.248 679 N C 1.272 176.983 175.510 0.335 0.000 1.290 679 N CA -0.111 53.072 53.050 0.223 0.000 0.873 679 N CB 0.893 39.528 38.487 0.248 0.000 1.261 679 N HN -0.006 nan 8.380 nan 0.000 0.504 680 L N 1.227 122.567 121.223 0.196 0.000 2.013 680 L HA -0.182 4.159 4.340 0.002 0.000 0.212 680 L C 1.525 178.508 176.870 0.188 0.000 1.073 680 L CA 2.032 56.961 54.840 0.148 0.000 0.753 680 L CB -0.436 41.641 42.059 0.029 0.000 0.890 680 L HN 0.156 nan 8.230 nan 0.000 0.432 681 D N -1.348 119.139 120.400 0.144 0.000 2.116 681 D HA -0.278 4.363 4.640 0.002 0.000 0.193 681 D C 2.103 178.491 176.300 0.147 0.000 0.998 681 D CA 1.867 55.940 54.000 0.122 0.000 0.836 681 D CB -0.214 40.647 40.800 0.102 0.000 0.951 681 D HN 0.599 nan 8.370 nan 0.000 0.449 682 H N -1.008 118.125 119.070 0.105 0.000 2.462 682 H HA -0.064 4.493 4.556 0.002 0.000 0.292 682 H C 1.712 177.101 175.328 0.101 0.000 1.049 682 H CA 1.150 57.237 56.048 0.065 0.000 1.334 682 H CB -0.287 29.478 29.762 0.004 0.000 1.404 682 H HN 0.164 nan 8.280 nan 0.000 0.544 683 Y N 0.211 120.497 120.300 -0.023 0.000 2.181 683 Y HA -0.159 4.392 4.550 0.002 0.000 0.288 683 Y C 2.271 178.133 175.900 -0.063 0.000 1.146 683 Y CA 1.397 59.490 58.100 -0.012 0.000 1.164 683 Y CB 0.170 38.656 38.460 0.043 0.000 0.982 683 Y HN 0.125 nan 8.280 nan 0.000 0.515 684 R N -0.367 120.198 120.500 0.109 0.000 2.193 684 R HA -0.029 4.312 4.340 0.002 0.000 0.213 684 R C 1.226 177.513 176.300 -0.021 0.000 1.055 684 R CA 0.788 56.906 56.100 0.031 0.000 0.995 684 R CB -0.678 29.643 30.300 0.035 0.000 0.893 684 R HN 0.357 nan 8.270 nan 0.000 0.459 685 N N 0.086 118.748 118.700 -0.063 0.000 2.422 685 N HA -0.058 4.683 4.740 0.002 0.000 0.181 685 N C 0.393 175.832 175.510 -0.117 0.000 1.080 685 N CA 0.592 53.599 53.050 -0.070 0.000 0.893 685 N CB 0.331 38.807 38.487 -0.017 0.000 0.973 685 N HN 0.096 nan 8.380 nan 0.000 0.456 686 S N -1.036 114.548 115.700 -0.193 0.000 2.537 686 S HA 0.155 4.626 4.470 0.002 0.000 0.246 686 S C 0.393 175.022 174.600 0.050 0.000 1.036 686 S CA -0.770 57.385 58.200 -0.076 0.000 1.041 686 S CB -0.656 62.463 63.200 -0.136 0.000 0.799 686 S HN 0.172 nan 8.310 nan 0.000 0.456 687 T N -2.026 112.518 114.554 -0.017 0.000 2.934 687 T HA 0.550 4.901 4.350 0.002 0.000 0.283 687 T C 1.227 175.914 174.700 -0.022 0.000 1.005 687 T CA -0.670 61.406 62.100 -0.040 0.000 1.041 687 T CB 1.360 70.174 68.868 -0.089 0.000 1.042 687 T HN -0.038 nan 8.240 nan 0.000 0.505 688 V N 1.889 121.786 119.914 -0.029 0.000 2.407 688 V HA -0.112 4.009 4.120 0.002 0.000 0.245 688 V C 2.720 178.782 176.094 -0.054 0.000 1.041 688 V CA 1.423 63.702 62.300 -0.036 0.000 1.040 688 V CB -0.785 31.012 31.823 -0.044 0.000 0.671 688 V HN 0.867 nan 8.190 nan 0.000 0.455 689 M N 1.236 120.787 119.600 -0.082 0.000 2.267 689 M HA -0.114 4.367 4.480 0.002 0.000 0.263 689 M C 2.328 178.594 176.300 -0.056 0.000 1.063 689 M CA 2.165 57.408 55.300 -0.095 0.000 1.090 689 M CB -2.039 30.515 32.600 -0.078 0.000 1.392 689 M HN 0.561 nan 8.290 nan 0.000 0.422 690 S N 0.748 116.427 115.700 -0.035 0.000 2.474 690 S HA -0.061 4.410 4.470 0.002 0.000 0.235 690 S C 1.768 176.368 174.600 0.001 0.000 0.997 690 S CA 0.581 58.770 58.200 -0.018 0.000 0.949 690 S CB -0.439 62.749 63.200 -0.019 0.000 0.766 690 S HN 0.635 nan 8.310 nan 0.000 0.517 691 R N 0.341 120.854 120.500 0.021 0.000 2.432 691 R HA 0.481 4.822 4.340 0.002 0.000 0.260 691 R C 2.155 178.553 176.300 0.163 0.000 0.935 691 R CA 0.415 56.555 56.100 0.067 0.000 1.080 691 R CB -0.190 30.147 30.300 0.062 0.000 1.155 691 R HN 0.448 nan 8.270 nan 0.000 0.531 692 A N 1.575 124.435 122.820 0.066 0.000 1.940 692 A HA -0.313 4.008 4.320 0.002 0.000 0.221 692 A C 2.007 179.667 177.584 0.126 0.000 1.190 692 A CA 2.031 54.073 52.037 0.009 0.000 0.647 692 A CB -0.302 18.637 19.000 -0.101 0.000 0.821 692 A HN 0.279 nan 8.150 nan 0.000 0.457 693 E N 0.297 120.547 120.200 0.083 0.000 2.097 693 E HA -0.193 4.158 4.350 0.002 0.000 0.196 693 E C 1.682 178.339 176.600 0.095 0.000 1.000 693 E CA 1.851 58.297 56.400 0.075 0.000 0.804 693 E CB -0.496 29.230 29.700 0.043 0.000 0.740 693 E HN 0.805 nan 8.360 nan 0.000 0.454 694 N N -1.199 117.554 118.700 0.087 0.000 2.520 694 N HA -0.104 4.637 4.740 0.002 0.000 0.185 694 N C 0.727 176.220 175.510 -0.027 0.000 1.068 694 N CA 0.221 53.274 53.050 0.005 0.000 0.911 694 N CB -0.117 38.324 38.487 -0.076 0.000 0.961 694 N HN 0.142 nan 8.380 nan 0.000 0.446 695 F N 1.446 121.350 119.950 -0.077 0.000 2.699 695 F HA 0.043 4.571 4.527 0.001 0.000 0.298 695 F C 1.843 177.645 175.800 0.003 0.000 1.154 695 F CA 0.602 58.554 58.000 -0.080 0.000 1.457 695 F CB 0.027 38.929 39.000 -0.164 0.000 1.106 695 F HN -0.082 nan 8.300 nan 0.000 0.585 696 K N -0.242 120.255 120.400 0.162 0.000 2.280 696 K HA -0.147 4.174 4.320 0.002 0.000 0.202 696 K C 1.536 178.197 176.600 0.101 0.000 1.047 696 K CA 0.822 57.186 56.287 0.129 0.000 0.942 696 K CB -0.104 32.451 32.500 0.092 0.000 0.739 696 K HN 0.264 nan 8.250 nan 0.000 0.457 697 Q N 0.330 120.169 119.800 0.065 0.000 2.403 697 Q HA 0.033 4.374 4.340 0.002 0.000 0.203 697 Q C 0.674 176.714 176.000 0.067 0.000 0.932 697 Q CA 0.306 56.139 55.803 0.050 0.000 0.945 697 Q CB 0.356 29.105 28.738 0.018 0.000 1.045 697 Q HN 0.209 nan 8.270 nan 0.000 0.511 698 V N -3.289 116.682 119.914 0.096 0.000 3.160 698 V HA 0.528 4.649 4.120 0.002 0.000 0.310 698 V C -1.031 175.209 176.094 0.242 0.000 1.181 698 V CA -1.271 61.113 62.300 0.139 0.000 1.047 698 V CB 2.466 34.334 31.823 0.075 0.000 1.068 698 V HN -0.054 nan 8.190 nan 0.000 0.441 699 E N 1.562 121.937 120.200 0.291 0.000 2.109 699 E HA 0.434 4.785 4.350 0.002 0.000 0.278 699 E C -1.892 175.076 176.600 0.613 0.000 0.954 699 E CA -0.353 56.289 56.400 0.404 0.000 0.779 699 E CB 1.672 31.543 29.700 0.285 0.000 1.093 699 E HN 0.677 nan 8.360 nan 0.000 0.401 700 Y N 3.590 124.147 120.300 0.428 0.000 2.393 700 Y HA 0.426 4.977 4.550 0.002 0.000 0.341 700 Y C -1.399 174.599 175.900 0.163 0.000 0.988 700 Y CA -1.189 57.108 58.100 0.328 0.000 1.078 700 Y CB 0.955 39.645 38.460 0.383 0.000 1.203 700 Y HN 0.418 nan 8.280 nan 0.000 0.453 701 L N 8.132 129.086 121.223 -0.448 0.000 2.343 701 L HA 0.472 4.813 4.340 0.002 0.000 0.278 701 L C -1.686 174.756 176.870 -0.712 0.000 0.996 701 L CA -0.767 53.680 54.840 -0.655 0.000 0.831 701 L CB 1.151 42.520 42.059 -1.149 0.000 1.232 701 L HN 0.670 nan 8.230 nan 0.000 0.413 702 L N 6.415 127.309 121.223 -0.548 0.000 2.287 702 L HA 0.574 4.915 4.340 0.002 0.000 0.287 702 L C -0.828 175.921 176.870 -0.203 0.000 1.022 702 L CA -0.469 54.101 54.840 -0.451 0.000 0.814 702 L CB 1.554 43.419 42.059 -0.324 0.000 1.217 702 L HN 0.600 nan 8.230 nan 0.000 0.420 703 I N 4.050 124.511 120.570 -0.183 0.000 2.545 703 I HA 0.492 4.662 4.170 0.002 0.000 0.292 703 I C -0.886 175.216 176.117 -0.024 0.000 1.040 703 I CA -0.745 60.498 61.300 -0.094 0.000 1.068 703 I CB 2.042 39.946 38.000 -0.161 0.000 1.251 703 I HN 0.525 nan 8.210 nan 0.000 0.424 704 H N 2.809 121.927 119.070 0.080 0.000 3.123 704 H HA 0.357 4.914 4.556 0.002 0.000 0.346 704 H C -0.812 174.750 175.328 0.391 0.000 1.138 704 H CA -0.556 55.592 56.048 0.167 0.000 1.273 704 H CB 2.437 32.233 29.762 0.058 0.000 1.926 704 H HN 0.765 nan 8.280 nan 0.000 0.524 705 G N 1.180 110.326 108.800 0.577 0.000 2.370 705 G HA2 0.229 4.190 3.960 0.002 0.000 0.272 705 G HA3 0.229 4.190 3.960 0.002 0.000 0.272 705 G C 1.147 176.347 174.900 0.500 0.000 1.208 705 G CA 0.224 45.624 45.100 0.502 0.000 0.856 705 G HN 0.654 nan 8.290 nan 0.000 0.500 706 T N -0.440 114.260 114.554 0.244 0.000 2.915 706 T HA 0.023 4.374 4.350 0.002 0.000 0.269 706 T C 1.738 176.453 174.700 0.025 0.000 1.071 706 T CA 1.322 63.385 62.100 -0.061 0.000 1.132 706 T CB 0.110 68.861 68.868 -0.195 0.000 0.878 706 T HN 0.693 nan 8.240 nan 0.000 0.479 707 A N 1.109 124.013 122.820 0.141 0.000 2.684 707 A HA 0.293 4.614 4.320 0.002 0.000 0.288 707 A C 0.406 177.980 177.584 -0.017 0.000 1.337 707 A CA -0.511 51.586 52.037 0.100 0.000 0.946 707 A CB -0.354 18.935 19.000 0.481 0.000 1.093 707 A HN 0.392 nan 8.150 nan 0.000 0.543 708 D N 1.483 121.889 120.400 0.010 0.000 2.344 708 D HA -0.006 4.635 4.640 0.002 0.000 0.253 708 D C 0.314 176.591 176.300 -0.039 0.000 1.255 708 D CA 0.092 54.187 54.000 0.159 0.000 0.894 708 D CB 0.679 41.735 40.800 0.427 0.000 1.067 708 D HN 0.578 nan 8.370 nan 0.000 0.492 709 D N 2.481 122.900 120.400 0.033 0.000 2.323 709 D HA -0.145 4.496 4.640 0.002 0.000 0.209 709 D C 0.959 177.225 176.300 -0.057 0.000 0.973 709 D CA -0.005 53.968 54.000 -0.045 0.000 0.874 709 D CB 0.447 41.207 40.800 -0.067 0.000 0.930 709 D HN 0.238 nan 8.370 nan 0.000 0.521 710 N N 0.858 119.629 118.700 0.119 0.000 2.335 710 N HA -0.052 4.689 4.740 0.002 0.000 0.197 710 N C -0.019 175.432 175.510 -0.099 0.000 1.045 710 N CA 0.503 53.660 53.050 0.178 0.000 0.928 710 N CB 0.401 39.008 38.487 0.200 0.000 1.118 710 N HN -0.096 nan 8.380 nan 0.000 0.471 711 V N 3.107 122.995 119.914 -0.043 0.000 2.288 711 V HA 0.188 4.309 4.120 0.002 0.000 0.266 711 V C -0.555 175.600 176.094 0.102 0.000 1.048 711 V CA -0.396 61.917 62.300 0.021 0.000 0.842 711 V CB -0.520 31.374 31.823 0.119 0.000 1.064 711 V HN 0.297 nan 8.190 nan 0.000 0.472 712 H N 3.275 122.330 119.070 -0.025 0.000 3.038 712 H HA -0.061 4.496 4.556 0.002 0.000 0.338 712 H C 0.849 176.044 175.328 -0.223 0.000 1.041 712 H CA 0.053 56.007 56.048 -0.157 0.000 1.394 712 H CB 0.667 30.252 29.762 -0.295 0.000 1.357 712 H HN 0.623 nan 8.280 nan 0.000 0.600 713 F N 2.207 121.982 119.950 -0.292 0.000 2.184 713 F HA -0.315 4.213 4.527 0.002 0.000 0.301 713 F C 2.574 178.107 175.800 -0.445 0.000 1.076 713 F CA 1.839 59.476 58.000 -0.605 0.000 1.295 713 F CB -0.210 38.608 39.000 -0.303 0.000 1.026 713 F HN 0.678 nan 8.300 nan 0.000 0.494 714 Q N 0.196 119.870 119.800 -0.209 0.000 2.156 714 Q HA -0.326 4.015 4.340 0.002 0.000 0.211 714 Q C 2.085 177.845 176.000 -0.400 0.000 0.995 714 Q CA 2.378 58.001 55.803 -0.299 0.000 0.877 714 Q CB -0.409 28.116 28.738 -0.356 0.000 0.920 714 Q HN 0.590 nan 8.270 nan 0.000 0.416 715 Q N -0.352 119.246 119.800 -0.337 0.000 2.096 715 Q HA -0.132 4.209 4.340 0.002 0.000 0.204 715 Q C 2.233 178.121 176.000 -0.186 0.000 0.982 715 Q CA 1.729 57.449 55.803 -0.140 0.000 0.850 715 Q CB -0.095 28.639 28.738 -0.007 0.000 0.901 715 Q HN 0.333 nan 8.270 nan 0.000 0.422 716 S N 0.309 115.768 115.700 -0.402 0.000 2.446 716 S HA 0.035 4.506 4.470 0.002 0.000 0.225 716 S C 1.977 176.323 174.600 -0.423 0.000 1.016 716 S CA 0.614 58.586 58.200 -0.380 0.000 0.943 716 S CB 0.002 62.921 63.200 -0.468 0.000 0.786 716 S HN 0.458 nan 8.310 nan 0.000 0.508 717 A N 1.369 123.859 122.820 -0.550 0.000 1.933 717 A HA -0.123 4.198 4.320 0.002 0.000 0.218 717 A C 2.105 179.594 177.584 -0.159 0.000 1.175 717 A CA 1.128 52.977 52.037 -0.313 0.000 0.628 717 A CB -0.391 18.491 19.000 -0.197 0.000 0.814 717 A HN 0.362 nan 8.150 nan 0.000 0.444 718 Q N -0.475 119.239 119.800 -0.144 0.000 2.172 718 Q HA 0.012 4.353 4.340 0.002 0.000 0.200 718 Q C 2.102 178.052 176.000 -0.083 0.000 0.964 718 Q CA 0.925 56.695 55.803 -0.054 0.000 0.855 718 Q CB -0.290 28.489 28.738 0.069 0.000 0.918 718 Q HN 0.783 nan 8.270 nan 0.000 0.444 719 I N 1.072 121.565 120.570 -0.128 0.000 2.163 719 I HA -0.272 3.899 4.170 0.002 0.000 0.240 719 I C 2.571 178.529 176.117 -0.265 0.000 1.081 719 I CA 1.429 62.612 61.300 -0.195 0.000 1.353 719 I CB -0.494 37.398 38.000 -0.180 0.000 1.054 719 I HN 0.184 nan 8.210 nan 0.000 0.407 720 S N 1.100 116.676 115.700 -0.206 0.000 2.370 720 S HA -0.307 4.164 4.470 0.002 0.000 0.226 720 S C 2.042 176.619 174.600 -0.038 0.000 1.033 720 S CA 1.719 59.841 58.200 -0.129 0.000 1.011 720 S CB -0.505 62.774 63.200 0.131 0.000 0.852 720 S HN 0.383 nan 8.310 nan 0.000 0.457 721 K N 1.722 122.100 120.400 -0.035 0.000 2.057 721 K HA 0.038 4.359 4.320 0.002 0.000 0.207 721 K C 2.263 178.843 176.600 -0.033 0.000 1.049 721 K CA 1.197 57.479 56.287 -0.008 0.000 0.931 721 K CB -0.709 31.785 32.500 -0.011 0.000 0.714 721 K HN 0.460 nan 8.250 nan 0.000 0.440 722 A N 0.839 123.608 122.820 -0.085 0.000 1.969 722 A HA -0.062 4.259 4.320 0.002 0.000 0.218 722 A C 2.048 179.562 177.584 -0.117 0.000 1.169 722 A CA 1.092 53.073 52.037 -0.093 0.000 0.635 722 A CB -0.465 18.464 19.000 -0.118 0.000 0.810 722 A HN 0.322 nan 8.150 nan 0.000 0.445 723 L N -0.821 120.283 121.223 -0.199 0.000 2.109 723 L HA -0.111 4.230 4.340 0.002 0.000 0.207 723 L C 2.478 179.357 176.870 0.015 0.000 1.086 723 L CA 0.789 55.507 54.840 -0.205 0.000 0.760 723 L CB -0.458 41.269 42.059 -0.552 0.000 0.910 723 L HN 0.232 nan 8.230 nan 0.000 0.437 724 V N -0.245 119.720 119.914 0.086 0.000 2.358 724 V HA -0.266 3.855 4.120 0.002 0.000 0.246 724 V C 1.932 178.066 176.094 0.067 0.000 1.047 724 V CA 1.779 64.157 62.300 0.132 0.000 1.035 724 V CB -0.476 31.426 31.823 0.132 0.000 0.658 724 V HN 0.412 nan 8.190 nan 0.000 0.452 725 D N -0.412 120.008 120.400 0.033 0.000 2.263 725 D HA -0.096 4.545 4.640 0.002 0.000 0.208 725 D C 1.764 178.077 176.300 0.022 0.000 0.971 725 D CA 0.877 54.890 54.000 0.022 0.000 0.867 725 D CB 0.088 40.893 40.800 0.007 0.000 0.929 725 D HN 0.335 nan 8.370 nan 0.000 0.492 726 V N -0.721 119.206 119.914 0.021 0.000 3.621 726 V HA 0.216 4.337 4.120 0.002 0.000 0.285 726 V C 1.316 177.438 176.094 0.046 0.000 1.346 726 V CA 0.750 63.065 62.300 0.026 0.000 1.104 726 V CB 0.332 32.164 31.823 0.014 0.000 0.913 726 V HN 0.353 nan 8.190 nan 0.000 0.432 727 G N 0.727 109.564 108.800 0.062 0.000 2.171 727 G HA2 -0.194 3.767 3.960 0.002 0.000 0.238 727 G HA3 -0.194 3.767 3.960 0.002 0.000 0.238 727 G C 0.022 174.985 174.900 0.105 0.000 1.039 727 G CA 0.230 45.376 45.100 0.077 0.000 0.759 727 G HN 0.403 nan 8.290 nan 0.000 0.501 728 V N 0.613 120.608 119.914 0.135 0.000 2.407 728 V HA 0.493 4.614 4.120 0.002 0.000 0.278 728 V C 0.385 176.671 176.094 0.320 0.000 1.037 728 V CA -0.387 62.025 62.300 0.188 0.000 0.900 728 V CB 1.713 33.626 31.823 0.149 0.000 0.983 728 V HN 0.436 nan 8.190 nan 0.000 0.459 729 D N 4.046 124.612 120.400 0.277 0.000 2.264 729 D HA 0.632 5.273 4.640 0.002 0.000 0.249 729 D C -0.575 175.979 176.300 0.422 0.000 1.070 729 D CA 0.064 54.220 54.000 0.260 0.000 0.912 729 D CB 0.883 41.760 40.800 0.128 0.000 1.193 729 D HN 0.342 nan 8.370 nan 0.000 0.427 730 F N -0.375 119.650 119.950 0.125 0.000 2.877 730 F HA 0.470 4.998 4.527 0.002 0.000 0.319 730 F C -1.490 174.369 175.800 0.098 0.000 1.174 730 F CA -1.126 56.972 58.000 0.163 0.000 0.903 730 F CB 0.657 39.787 39.000 0.217 0.000 1.357 730 F HN 0.113 nan 8.300 nan 0.000 0.472 731 Q N 1.134 121.013 119.800 0.130 0.000 2.266 731 Q HA 0.835 5.176 4.340 0.002 0.000 0.261 731 Q C -0.900 175.085 176.000 -0.025 0.000 0.985 731 Q CA -0.837 54.949 55.803 -0.029 0.000 0.873 731 Q CB 2.247 31.015 28.738 0.051 0.000 1.306 731 Q HN 1.059 nan 8.270 nan 0.000 0.447 732 A N 1.571 124.341 122.820 -0.084 0.000 2.566 732 A HA 0.854 5.175 4.320 0.002 0.000 0.292 732 A C -1.440 176.064 177.584 -0.132 0.000 1.112 732 A CA -0.561 51.452 52.037 -0.040 0.000 0.707 732 A CB 2.030 21.067 19.000 0.061 0.000 1.302 732 A HN 0.611 nan 8.150 nan 0.000 0.409 733 M N 1.192 120.699 119.600 -0.155 0.000 2.298 733 M HA 0.540 5.021 4.480 0.002 0.000 0.255 733 M C -2.042 174.090 176.300 -0.281 0.000 1.021 733 M CA -0.539 54.513 55.300 -0.412 0.000 0.968 733 M CB 0.959 33.214 32.600 -0.575 0.000 2.037 733 M HN 0.993 nan 8.290 nan 0.000 0.478 734 W N 4.336 125.467 121.300 -0.282 0.000 2.516 734 W HA 0.779 5.440 4.660 0.002 0.000 0.343 734 W C -1.945 174.292 176.519 -0.470 0.000 1.094 734 W CA -0.814 56.447 57.345 -0.139 0.000 1.250 734 W CB 0.368 29.796 29.460 -0.054 0.000 1.308 734 W HN 0.615 nan 8.180 nan 0.000 0.588 735 Y N 2.358 122.801 120.300 0.239 0.000 2.555 735 Y HA 0.260 4.811 4.550 0.001 0.000 0.326 735 Y C 0.748 176.764 175.900 0.193 0.000 0.984 735 Y CA -1.163 56.995 58.100 0.097 0.000 1.298 735 Y CB 1.274 39.758 38.460 0.041 0.000 1.094 735 Y HN 0.615 nan 8.280 nan 0.000 0.500 736 T N 3.242 117.971 114.554 0.293 0.000 2.831 736 T HA 0.033 4.384 4.350 0.002 0.000 0.291 736 T C 0.419 175.191 174.700 0.120 0.000 0.981 736 T CA 0.776 62.969 62.100 0.157 0.000 1.174 736 T CB -0.155 68.731 68.868 0.029 0.000 0.929 736 T HN 0.808 nan 8.240 nan 0.000 0.532 737 D N 1.744 122.210 120.400 0.110 0.000 3.028 737 D HA -0.108 4.533 4.640 0.002 0.000 0.207 737 D C -0.059 176.397 176.300 0.259 0.000 1.100 737 D CA 1.033 55.072 54.000 0.064 0.000 0.995 737 D CB -0.583 40.071 40.800 -0.243 0.000 1.108 737 D HN 0.640 nan 8.370 nan 0.000 0.421 738 E N 0.898 121.258 120.200 0.267 0.000 2.277 738 E HA 0.359 4.710 4.350 0.002 0.000 0.274 738 E C 0.679 177.468 176.600 0.315 0.000 1.022 738 E CA -0.336 56.235 56.400 0.284 0.000 0.853 738 E CB 1.306 31.160 29.700 0.258 0.000 1.086 738 E HN 0.331 nan 8.360 nan 0.000 0.397 739 D N -0.323 120.272 120.400 0.324 0.000 2.511 739 D HA -0.005 4.636 4.640 0.002 0.000 0.283 739 D C 1.084 177.612 176.300 0.379 0.000 1.198 739 D CA -0.171 54.040 54.000 0.353 0.000 1.097 739 D CB -0.139 40.891 40.800 0.384 0.000 1.160 739 D HN 0.408 nan 8.370 nan 0.000 0.589 740 H N -1.634 117.620 119.070 0.306 0.000 2.489 740 H HA 0.072 4.629 4.556 0.002 0.000 0.295 740 H C 1.890 177.471 175.328 0.422 0.000 1.082 740 H CA 2.088 58.339 56.048 0.339 0.000 1.295 740 H CB -0.357 29.590 29.762 0.307 0.000 1.380 740 H HN 0.490 nan 8.280 nan 0.000 0.548 741 G N -0.375 108.600 108.800 0.293 0.000 2.603 741 G HA2 0.009 3.970 3.960 0.002 0.000 0.214 741 G HA3 0.009 3.970 3.960 0.002 0.000 0.214 741 G C 0.679 175.751 174.900 0.286 0.000 1.140 741 G CA 0.285 45.483 45.100 0.162 0.000 0.800 741 G HN 0.507 nan 8.290 nan 0.000 0.533 742 I N 0.212 120.973 120.570 0.318 0.000 5.158 742 I HA -0.327 3.844 4.170 0.002 0.000 0.126 742 I C 1.532 177.783 176.117 0.223 0.000 1.344 742 I CA 0.178 61.623 61.300 0.242 0.000 2.637 742 I CB -1.202 36.927 38.000 0.216 0.000 2.338 742 I HN 0.269 nan 8.210 nan 0.000 0.320 743 A N 1.075 123.997 122.820 0.169 0.000 2.348 743 A HA 0.269 4.590 4.320 0.002 0.000 0.224 743 A C 1.198 178.832 177.584 0.083 0.000 1.227 743 A CA 0.556 52.657 52.037 0.107 0.000 0.885 743 A CB 0.134 19.156 19.000 0.037 0.000 0.933 743 A HN 0.649 nan 8.150 nan 0.000 0.506 744 S N -0.341 115.425 115.700 0.111 0.000 2.566 744 S HA 0.127 4.598 4.470 0.002 0.000 0.280 744 S C 1.236 175.896 174.600 0.100 0.000 1.343 744 S CA 0.382 58.640 58.200 0.097 0.000 1.036 744 S CB 1.001 64.267 63.200 0.110 0.000 0.866 744 S HN 0.491 nan 8.310 nan 0.000 0.526 745 S N 2.201 117.946 115.700 0.075 0.000 2.368 745 S HA -0.207 4.264 4.470 0.002 0.000 0.226 745 S C 2.128 176.797 174.600 0.114 0.000 1.044 745 S CA 2.459 60.707 58.200 0.080 0.000 1.062 745 S CB -1.633 61.596 63.200 0.047 0.000 0.931 745 S HN 1.070 nan 8.310 nan 0.000 0.440 746 T N -0.126 114.484 114.554 0.093 0.000 2.777 746 T HA 0.141 4.492 4.350 0.002 0.000 0.266 746 T C 1.983 176.747 174.700 0.108 0.000 1.040 746 T CA 1.391 63.548 62.100 0.096 0.000 1.141 746 T CB -0.969 67.946 68.868 0.078 0.000 0.868 746 T HN 0.478 nan 8.240 nan 0.000 0.444 747 A N 1.417 124.284 122.820 0.078 0.000 1.930 747 A HA -0.088 4.233 4.320 0.002 0.000 0.217 747 A C 2.200 179.754 177.584 -0.050 0.000 1.175 747 A CA 2.011 54.030 52.037 -0.030 0.000 0.627 747 A CB -1.214 17.744 19.000 -0.070 0.000 0.815 747 A HN 0.756 nan 8.150 nan 0.000 0.443 748 H N -0.072 118.995 119.070 -0.004 0.000 2.319 748 H HA -0.139 4.418 4.556 0.002 0.000 0.299 748 H C 2.109 177.519 175.328 0.136 0.000 1.092 748 H CA 2.375 58.474 56.048 0.084 0.000 1.302 748 H CB -0.229 29.584 29.762 0.084 0.000 1.373 748 H HN 0.578 nan 8.280 nan 0.000 0.497 749 Q N -1.057 118.741 119.800 -0.004 0.000 2.119 749 Q HA -0.179 4.162 4.340 0.002 0.000 0.201 749 Q C 2.216 178.205 176.000 -0.019 0.000 0.972 749 Q CA 1.280 57.044 55.803 -0.064 0.000 0.847 749 Q CB -0.177 28.567 28.738 0.010 0.000 0.903 749 Q HN 0.624 nan 8.270 nan 0.000 0.433 750 H N 0.867 119.915 119.070 -0.037 0.000 2.357 750 H HA -0.067 4.490 4.556 0.002 0.000 0.301 750 H C 1.985 177.311 175.328 -0.004 0.000 1.082 750 H CA 1.295 57.354 56.048 0.017 0.000 1.342 750 H CB -0.026 29.794 29.762 0.096 0.000 1.389 750 H HN 0.285 nan 8.280 nan 0.000 0.511 751 I N 0.025 120.582 120.570 -0.022 0.000 2.315 751 I HA -0.304 3.867 4.170 0.002 0.000 0.248 751 I C 1.689 177.591 176.117 -0.359 0.000 1.117 751 I CA 1.154 62.348 61.300 -0.175 0.000 1.404 751 I CB -0.271 37.415 38.000 -0.523 0.000 1.071 751 I HN 0.113 nan 8.210 nan 0.000 0.419 752 Y N 0.874 120.974 120.300 -0.333 0.000 2.439 752 Y HA -0.158 4.393 4.550 0.001 0.000 0.292 752 Y C 2.644 178.341 175.900 -0.340 0.000 1.130 752 Y CA 1.624 59.407 58.100 -0.528 0.000 1.254 752 Y CB -0.594 37.559 38.460 -0.512 0.000 1.000 752 Y HN 0.155 nan 8.280 nan 0.000 0.554 753 T N -2.003 112.482 114.554 -0.115 0.000 2.851 753 T HA -0.167 4.184 4.350 0.002 0.000 0.262 753 T C 1.533 176.141 174.700 -0.154 0.000 1.043 753 T CA 1.564 63.567 62.100 -0.160 0.000 1.140 753 T CB -0.342 68.429 68.868 -0.162 0.000 0.872 753 T HN 0.391 nan 8.240 nan 0.000 0.446 754 H N 0.921 119.896 119.070 -0.159 0.000 2.353 754 H HA 0.130 4.686 4.556 0.002 0.000 0.300 754 H C 2.103 177.434 175.328 0.006 0.000 1.090 754 H CA 1.497 57.526 56.048 -0.030 0.000 1.327 754 H CB -0.185 29.556 29.762 -0.035 0.000 1.383 754 H HN 0.242 nan 8.280 nan 0.000 0.508 755 M N -0.976 118.592 119.600 -0.053 0.000 2.254 755 M HA -0.120 4.361 4.480 0.002 0.000 0.265 755 M C 2.335 178.759 176.300 0.207 0.000 1.066 755 M CA 1.165 56.425 55.300 -0.067 0.000 1.123 755 M CB 0.185 32.486 32.600 -0.499 0.000 1.388 755 M HN 0.179 nan 8.290 nan 0.000 0.425 756 S N -0.658 115.176 115.700 0.224 0.000 2.368 756 S HA -0.128 4.343 4.470 0.002 0.000 0.224 756 S C 1.711 176.402 174.600 0.152 0.000 1.029 756 S CA 0.904 59.324 58.200 0.367 0.000 0.988 756 S CB -0.480 62.909 63.200 0.315 0.000 0.838 756 S HN 0.466 nan 8.310 nan 0.000 0.462 757 H N 0.002 119.135 119.070 0.105 0.000 2.319 757 H HA -0.062 4.495 4.556 0.001 0.000 0.299 757 H C 1.990 177.325 175.328 0.012 0.000 1.092 757 H CA 1.396 57.456 56.048 0.021 0.000 1.302 757 H CB -0.787 28.930 29.762 -0.074 0.000 1.373 757 H HN 0.435 nan 8.280 nan 0.000 0.497 758 F N 1.308 121.255 119.950 -0.004 0.000 2.095 758 F HA -0.204 4.323 4.527 0.002 0.000 0.298 758 F C 2.351 178.115 175.800 -0.059 0.000 1.104 758 F CA 0.990 58.961 58.000 -0.049 0.000 1.232 758 F CB -0.313 38.645 39.000 -0.069 0.000 0.987 758 F HN -0.037 nan 8.300 nan 0.000 0.475 759 I N 0.794 121.398 120.570 0.056 0.000 2.179 759 I HA -0.280 3.891 4.170 0.002 0.000 0.242 759 I C 2.254 178.177 176.117 -0.323 0.000 1.088 759 I CA 1.519 62.680 61.300 -0.232 0.000 1.357 759 I CB -1.301 36.633 38.000 -0.110 0.000 1.051 759 I HN 0.230 nan 8.210 nan 0.000 0.409 760 K N 0.284 120.638 120.400 -0.077 0.000 2.057 760 K HA -0.231 4.090 4.320 0.002 0.000 0.207 760 K C 2.020 178.608 176.600 -0.020 0.000 1.049 760 K CA 1.139 57.433 56.287 0.011 0.000 0.931 760 K CB -0.336 32.217 32.500 0.088 0.000 0.714 760 K HN 0.406 nan 8.250 nan 0.000 0.440 761 Q N 1.396 121.144 119.800 -0.087 0.000 2.084 761 Q HA -0.209 4.132 4.340 0.002 0.000 0.202 761 Q C 2.278 178.186 176.000 -0.153 0.000 0.978 761 Q CA 1.782 57.519 55.803 -0.110 0.000 0.844 761 Q CB -0.484 28.165 28.738 -0.148 0.000 0.898 761 Q HN 0.404 nan 8.270 nan 0.000 0.426 762 c N 0.110 118.519 118.600 -0.318 0.000 2.422 762 c HA -0.078 4.493 4.570 0.002 0.000 0.279 762 c C 2.369 176.488 174.090 0.048 0.000 1.305 762 c CA 0.437 56.605 56.329 -0.269 0.000 1.757 762 c CB -1.313 40.883 42.510 -0.523 0.000 1.962 762 c HN 0.572 nan 8.230 nan 0.000 0.499 763 F N 0.993 120.909 119.950 -0.058 0.000 2.530 763 F HA 0.283 4.811 4.527 0.001 0.000 0.292 763 F C 1.848 177.636 175.800 -0.021 0.000 1.109 763 F CA 0.207 58.194 58.000 -0.022 0.000 1.450 763 F CB -1.067 37.928 39.000 -0.007 0.000 1.114 763 F HN 0.108 nan 8.300 nan 0.000 0.560 764 S N 0.000 115.798 115.700 0.163 0.000 2.498 764 S HA 0.000 4.471 4.470 0.002 0.000 0.327 764 S CA 0.000 58.252 58.200 0.087 0.000 1.107 764 S CB 0.000 63.240 63.200 0.067 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517